smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)N=C1SCC(=O)NCc1ccco1 ZINC000000625398 193860846 /nfs/dbraw/zinc/86/08/46/193860846.db2.gz UOZDIZUOHWKNJW-YBEGLDIGSA-N 0 0 429.498 2.905 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000000625766 193860979 /nfs/dbraw/zinc/86/09/79/193860979.db2.gz KWWOHFKDLUFRGW-LUDQZLGDSA-N 0 0 434.517 2.807 50 0 IFAARN COc1ccc(C)cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C ZINC000000642307 193868157 /nfs/dbraw/zinc/86/81/57/193868157.db2.gz MKTDENLLZYJSMD-UHFFFAOYSA-N 0 0 443.504 2.932 50 0 IFAARN Cc1nn(C[C@@H](O)Cn2c3ccccc3c3c2C(=O)N(C)CC3)c(C)c1Br ZINC000000644333 193869092 /nfs/dbraw/zinc/86/90/92/193869092.db2.gz OUTRNROAVINECG-AWEZNQCLSA-N 0 0 431.334 2.906 50 0 IFAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)NCCc1ccccc1 ZINC000006095263 193879388 /nfs/dbraw/zinc/87/93/88/193879388.db2.gz LTNTUJWLGCKWQJ-UHFFFAOYSA-N 0 0 446.598 2.935 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccc(Cl)cc1)n2C ZINC000006095061 193879408 /nfs/dbraw/zinc/87/94/08/193879408.db2.gz DCWABFZAUQHICT-UHFFFAOYSA-N 0 0 434.949 2.726 50 0 IFAARN O=S(=O)(c1cccc(C2N=NC(=S)N2c2ccccc2Cl)c1)N1CCOCC1 ZINC000006189984 193889250 /nfs/dbraw/zinc/88/92/50/193889250.db2.gz RGLMKLBMTCWNDX-UHFFFAOYSA-N 0 0 436.946 2.897 50 0 IFAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3c2=O)cc1 ZINC000009833456 193900110 /nfs/dbraw/zinc/90/01/10/193900110.db2.gz RYJVVAQLOKXGKO-IRXDYDNUSA-N 0 0 448.523 2.629 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(C)c(C)c3)n2)cc1 ZINC000009844736 193903935 /nfs/dbraw/zinc/90/39/35/193903935.db2.gz NXDMPNUCYMKLNM-UHFFFAOYSA-N 0 0 427.526 2.904 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C)ccc3C)n2)cc1 ZINC000009844844 193904030 /nfs/dbraw/zinc/90/40/30/193904030.db2.gz NDSYLDWYPDAOCC-UHFFFAOYSA-N 0 0 427.526 2.904 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cccc(Cl)c3)n2)cc1 ZINC000009844810 193904036 /nfs/dbraw/zinc/90/40/36/193904036.db2.gz GEVQDQRDOBZOIW-UHFFFAOYSA-N 0 0 433.917 2.941 50 0 IFAARN CCOc1ccccc1OC[C@@H](O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000009849438 193906885 /nfs/dbraw/zinc/90/68/85/193906885.db2.gz PIFMYRDXXMJVCT-HNNXBMFYSA-N 0 0 444.347 2.908 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1 ZINC000009852741 193907998 /nfs/dbraw/zinc/90/79/98/193907998.db2.gz CLCMAZCAVZVGFV-UHFFFAOYSA-N 0 0 427.482 2.678 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000009857551 193909273 /nfs/dbraw/zinc/90/92/73/193909273.db2.gz VNCSTOJRGQWEJJ-UHFFFAOYSA-N 0 0 436.859 2.531 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O ZINC000009857541 193909289 /nfs/dbraw/zinc/90/92/89/193909289.db2.gz RBFWNIVMOXKJOB-UHFFFAOYSA-N 0 0 438.875 2.727 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3Br)CC2)cc1 ZINC000019789981 193920032 /nfs/dbraw/zinc/92/00/32/193920032.db2.gz HMZQNOCQOFKYTK-UHFFFAOYSA-N 0 0 425.348 2.964 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)N[C@@H](C)c4ccc(F)cc4)ncn3n2)cc1 ZINC000051316949 193924261 /nfs/dbraw/zinc/92/42/61/193924261.db2.gz HMJSPYNDPPCXSO-HNNXBMFYSA-N 0 0 435.459 2.973 50 0 IFAARN CSCC[C@H](NC(=O)COc1ccc(-c2nnn(C)n2)cc1)c1nc2ccccc2[nH]1 ZINC000096231745 193938552 /nfs/dbraw/zinc/93/85/52/193938552.db2.gz UQGNOCQVMZVHGD-SFHVURJKSA-N 0 0 437.529 2.743 50 0 IFAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC(=O)Nc2cnccc21 ZINC000096035236 132225618 /nfs/dbraw/zinc/22/56/18/132225618.db2.gz PXDGAENOAJRQBK-YFHOEESVSA-N 0 0 440.525 2.645 50 0 IFAARN O=C(CN1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1)Nc1ccc(F)cc1 ZINC000009067790 132226584 /nfs/dbraw/zinc/22/65/84/132226584.db2.gz FRZXFJMELGKYQF-UHFFFAOYSA-N 0 0 442.510 2.964 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2O)CC1 ZINC000009316359 132230207 /nfs/dbraw/zinc/23/02/07/132230207.db2.gz NKHGPJSICHNNJE-UHFFFAOYSA-N 0 0 443.507 2.993 50 0 IFAARN Cc1cc(C)cc(S(=O)(=O)c2cn(C)c3cc(N4CCOCC4)c(F)cc3c2=O)c1 ZINC000009435646 132231527 /nfs/dbraw/zinc/23/15/27/132231527.db2.gz AMMSVHBCCZWGEL-UHFFFAOYSA-N 0 0 430.501 2.964 50 0 IFAARN O=C(CSc1ncnc2c1nnn2-c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000009382970 132233750 /nfs/dbraw/zinc/23/37/50/132233750.db2.gz ANIBTCRPUIHMMU-UHFFFAOYSA-N 0 0 431.525 2.651 50 0 IFAARN Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000009569816 132234866 /nfs/dbraw/zinc/23/48/66/132234866.db2.gz CVUCZWWRBUYSAA-UHFFFAOYSA-N 0 0 435.977 2.839 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cccc2ccccc21 ZINC000009569889 132235107 /nfs/dbraw/zinc/23/51/07/132235107.db2.gz PBAPKVVAKAKNOZ-UHFFFAOYSA-N 0 0 441.528 2.861 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000009570220 132235857 /nfs/dbraw/zinc/23/58/57/132235857.db2.gz UOBOUGRWTMWGAU-UHFFFAOYSA-N 0 0 441.475 2.587 50 0 IFAARN O=C1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc3c2N1CCC3 ZINC000009708745 132237060 /nfs/dbraw/zinc/23/70/60/132237060.db2.gz CYHWZLXDCFZAHZ-UHFFFAOYSA-N 0 0 429.517 2.562 50 0 IFAARN O=C(c1ccc(F)c(F)c1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000009849267 132241617 /nfs/dbraw/zinc/24/16/17/132241617.db2.gz JRWNKFJFWWZSER-UHFFFAOYSA-N 0 0 439.401 2.590 50 0 IFAARN O=C(OCc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000009849404 132241831 /nfs/dbraw/zinc/24/18/31/132241831.db2.gz SDNAIOGKRAAGDL-UHFFFAOYSA-N 0 0 433.447 2.808 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000009851358 132242272 /nfs/dbraw/zinc/24/22/72/132242272.db2.gz BOABRHLSABYPOH-UHFFFAOYSA-N 0 0 447.474 2.711 50 0 IFAARN CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000009851699 132242281 /nfs/dbraw/zinc/24/22/81/132242281.db2.gz GFJBFFSIJJAOBG-UHFFFAOYSA-N 0 0 443.511 2.631 50 0 IFAARN O=C(c1cc2ccccc2o1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000009851822 132242459 /nfs/dbraw/zinc/24/24/59/132242459.db2.gz GYWACCBNFZUJKT-UHFFFAOYSA-N 0 0 439.479 2.978 50 0 IFAARN COc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(c3ccccn3)CC2)n1 ZINC000001411238 132244990 /nfs/dbraw/zinc/24/49/90/132244990.db2.gz ANVWRFDENDWQSJ-UHFFFAOYSA-N 0 0 426.912 2.577 50 0 IFAARN CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000001444207 132245565 /nfs/dbraw/zinc/24/55/65/132245565.db2.gz JLTUVXRREGKHGO-SFHVURJKSA-N 0 0 426.542 2.940 50 0 IFAARN C[C@@]12CCC(=O)N1c1c(sc3nc(N4CCOCC4)c4c(c31)CC(C)(C)OC4)C(=O)N2 ZINC000002296319 132251453 /nfs/dbraw/zinc/25/14/53/132251453.db2.gz MXXNDAAWNPKBFF-QFIPXVFZSA-N 0 0 442.541 2.571 50 0 IFAARN O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1CCN(c2ncccn2)CC1 ZINC000002779165 132257062 /nfs/dbraw/zinc/25/70/62/132257062.db2.gz OXEKNEALMWRQGN-UHFFFAOYSA-N 0 0 428.846 2.962 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 ZINC000002884600 132258203 /nfs/dbraw/zinc/25/82/03/132258203.db2.gz DFCMRXVWXRVQSV-IBGZPJMESA-N 0 0 445.585 2.815 50 0 IFAARN COc1ccc(CCNC(=O)c2sc3ncnc(N4CCOCC4)c3c2C)cc1OC ZINC000002911659 132258567 /nfs/dbraw/zinc/25/85/67/132258567.db2.gz DZZVPSVNJMGRRP-UHFFFAOYSA-N 0 0 442.541 2.826 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 ZINC000002940522 132259412 /nfs/dbraw/zinc/25/94/12/132259412.db2.gz VFAHEICETANQHY-UHFFFAOYSA-N 0 0 437.359 2.962 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)cc1 ZINC000003310703 132263737 /nfs/dbraw/zinc/26/37/37/132263737.db2.gz GRQRJORISCFVFI-QGZVFWFLSA-N 0 0 430.526 2.527 50 0 IFAARN C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000003353416 132264419 /nfs/dbraw/zinc/26/44/19/132264419.db2.gz STSYDKZAZRNIJR-MGPQQGTHSA-N 0 0 434.890 2.900 50 0 IFAARN O=C(Nc1ccccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000003388756 132264829 /nfs/dbraw/zinc/26/48/29/132264829.db2.gz AYRMFVUWTBLPDH-UHFFFAOYSA-N 0 0 447.532 2.702 50 0 IFAARN COc1ccccc1N1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000004199020 132270752 /nfs/dbraw/zinc/27/07/52/132270752.db2.gz MSVHJJQJXXXSOO-UHFFFAOYSA-N 0 0 433.549 2.810 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)c(C)c1 ZINC000004571101 132272346 /nfs/dbraw/zinc/27/23/46/132272346.db2.gz IAHIJZYQEMIJMY-UHFFFAOYSA-N 0 0 429.590 2.903 50 0 IFAARN COc1ccc(CCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1 ZINC000004896319 132274593 /nfs/dbraw/zinc/27/45/93/132274593.db2.gz KIVPDQDIAWNWHQ-UHFFFAOYSA-N 0 0 425.529 2.940 50 0 IFAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccccc2)cn3C)CC1 ZINC000008583850 132282522 /nfs/dbraw/zinc/28/25/22/132282522.db2.gz UJSMVXXKQCXUMP-UHFFFAOYSA-N 0 0 429.517 2.652 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000008583989 132282540 /nfs/dbraw/zinc/28/25/40/132282540.db2.gz ZANDBGIOCYYZNY-UHFFFAOYSA-N 0 0 425.938 2.973 50 0 IFAARN CCOC(=O)N1CCN(c2ncc3c(n2)C[C@@H](c2ccc(OC)c(OC)c2)CC3=O)CC1 ZINC000008590943 132283852 /nfs/dbraw/zinc/28/38/52/132283852.db2.gz FHKARVRHSKYMOF-MRXNPFEDSA-N 0 0 440.500 2.685 50 0 IFAARN Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)cc1 ZINC000008596372 132285130 /nfs/dbraw/zinc/28/51/30/132285130.db2.gz CJVMBYVBXMWGEW-UHFFFAOYSA-N 0 0 429.517 2.571 50 0 IFAARN O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCc1cccc(Cl)c1 ZINC000008599338 132285950 /nfs/dbraw/zinc/28/59/50/132285950.db2.gz LRLRWKDMNQKHDT-UHFFFAOYSA-N 0 0 437.931 2.540 50 0 IFAARN COc1cccc(N2CCN(C(=O)c3cccn3-c3nnc(N4CCCC4)s3)CC2)c1 ZINC000008600438 132286315 /nfs/dbraw/zinc/28/63/15/132286315.db2.gz FPRSPBICJIIYFV-UHFFFAOYSA-N 0 0 438.557 2.900 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccno3)cc2OC)CC1 ZINC000008607748 132287350 /nfs/dbraw/zinc/28/73/50/132287350.db2.gz MFDRFTLGINUZCH-UHFFFAOYSA-N 0 0 429.498 2.870 50 0 IFAARN Cc1cccc(N2CCN(C(=O)Cn3ncc4c5ccccc5n(C)c4c3=O)C[C@H]2C)c1 ZINC000008610667 132288194 /nfs/dbraw/zinc/28/81/94/132288194.db2.gz DNDQZQRXXUXVNB-GOSISDBHSA-N 0 0 429.524 2.934 50 0 IFAARN O=C([C@@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1)N1CCN(c2ccccc2)CC1 ZINC000008992905 132299976 /nfs/dbraw/zinc/29/99/76/132299976.db2.gz JTNWOZQADZMADN-OAHLLOKOSA-N 0 0 425.924 2.572 50 0 IFAARN C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009074819 132302035 /nfs/dbraw/zinc/30/20/35/132302035.db2.gz GPWWKMZNCXNVIK-CQSZACIVSA-N 0 0 441.509 2.751 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)cn1 ZINC000009153383 132307065 /nfs/dbraw/zinc/30/70/65/132307065.db2.gz QHCSSXVLXLVGFA-UHFFFAOYSA-N 0 0 448.531 2.761 50 0 IFAARN Cc1cc(C)cc(-n2ncc3c2ncnc3OCC(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000009170699 132307481 /nfs/dbraw/zinc/30/74/81/132307481.db2.gz KCYHNSMRNCBIHA-UHFFFAOYSA-N 0 0 428.452 2.796 50 0 IFAARN CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccc(Br)c2)CC1 ZINC000009190259 132307946 /nfs/dbraw/zinc/30/79/46/132307946.db2.gz IICKPVGKRDKPQA-UHFFFAOYSA-N 0 0 438.347 2.783 50 0 IFAARN Cc1cc(=O)nc2c3ccccc3n(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)n21 ZINC000009251441 132310899 /nfs/dbraw/zinc/31/08/99/132310899.db2.gz NRTWBTPLDUBESK-UHFFFAOYSA-N 0 0 435.915 2.960 50 0 IFAARN COc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccc(F)cc2)c4=O)c1 ZINC000009282323 132312211 /nfs/dbraw/zinc/31/22/11/132312211.db2.gz QOYBWXUSTBFNHQ-HNNXBMFYSA-N 0 0 449.486 2.881 50 0 IFAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)cc21 ZINC000009274116 132312233 /nfs/dbraw/zinc/31/22/33/132312233.db2.gz XTOHVEWWFIZUHB-QGZVFWFLSA-N 0 0 446.550 2.654 50 0 IFAARN COc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2)c4=O)c1 ZINC000009282441 132312315 /nfs/dbraw/zinc/31/23/15/132312315.db2.gz QTTSRTISGILDIZ-INIZCTEOSA-N 0 0 431.496 2.741 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000009285820 132312471 /nfs/dbraw/zinc/31/24/71/132312471.db2.gz VIKNZKFJXBNDRP-UHFFFAOYSA-N 0 0 445.560 2.892 50 0 IFAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(c5ccc(F)cc5)CC4)ccn3n2)cc1 ZINC000009321144 132313699 /nfs/dbraw/zinc/31/36/99/132313699.db2.gz UCBGPYQPFKCIJT-UHFFFAOYSA-N 0 0 445.498 2.959 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)[C@H]1CC=CCC1 ZINC000009349313 132314213 /nfs/dbraw/zinc/31/42/13/132314213.db2.gz MEUBUERGEMLSAF-SFHVURJKSA-N 0 0 433.574 2.993 50 0 IFAARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O ZINC000009386796 132314775 /nfs/dbraw/zinc/31/47/75/132314775.db2.gz YLLDJNNESPUODR-JOCHJYFZSA-N 0 0 440.887 2.871 50 0 IFAARN O=C([C@@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009421612 132316370 /nfs/dbraw/zinc/31/63/70/132316370.db2.gz WFMRHKBETAPRNR-CQSZACIVSA-N 0 0 443.914 2.711 50 0 IFAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCc2ccccn2)cn3C2CC2)CC1 ZINC000009422344 132316502 /nfs/dbraw/zinc/31/65/02/132316502.db2.gz NACOPQRXLQHKDD-UHFFFAOYSA-N 0 0 449.530 2.942 50 0 IFAARN Cc1ccccc1NC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000009430565 132317068 /nfs/dbraw/zinc/31/70/68/132317068.db2.gz DJGWHLJDLBKHHN-UHFFFAOYSA-N 0 0 445.566 2.857 50 0 IFAARN COc1cccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3c2=O)c1 ZINC000009438821 132317689 /nfs/dbraw/zinc/31/76/89/132317689.db2.gz QXDGZPKDVYFCJB-UHFFFAOYSA-N 0 0 441.491 2.752 50 0 IFAARN Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C ZINC000009463222 132318215 /nfs/dbraw/zinc/31/82/15/132318215.db2.gz CBQRSKMWUASQDA-UHFFFAOYSA-N 0 0 445.570 2.811 50 0 IFAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)N1CCN(c2ncccn2)CC1 ZINC000009477118 132318937 /nfs/dbraw/zinc/31/89/37/132318937.db2.gz NAEHSLIAJPQZKV-UHFFFAOYSA-N 0 0 442.475 2.978 50 0 IFAARN COc1ccc(OC)c(/C=C/C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000009491234 132319212 /nfs/dbraw/zinc/31/92/12/132319212.db2.gz BDCJXZOYWPPJCY-NYYWCZLTSA-N 0 0 439.512 2.651 50 0 IFAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCC(=O)N1CC(=O)Nc2ccccc21 ZINC000009507897 132319807 /nfs/dbraw/zinc/31/98/07/132319807.db2.gz PMDUMVKNXLSGCA-AWEZNQCLSA-N 0 0 438.509 2.681 50 0 IFAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009526190 132320196 /nfs/dbraw/zinc/32/01/96/132320196.db2.gz JPBUGYQZBSERSK-UHFFFAOYSA-N 0 0 425.533 2.986 50 0 IFAARN Cc1csc2nc(C)c(S(=O)(=O)N3CCN(c4ccc(C)cc4C)CC3)c(=O)n12 ZINC000009561378 132321489 /nfs/dbraw/zinc/32/14/89/132321489.db2.gz MNXHYYMVKCCREI-UHFFFAOYSA-N 0 0 432.571 2.501 50 0 IFAARN Cc1cc2nc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)c3ccccc3n2n1 ZINC000009632977 132323924 /nfs/dbraw/zinc/32/39/24/132323924.db2.gz VQKIPMFTDZVXCL-UHFFFAOYSA-N 0 0 425.489 2.841 50 0 IFAARN CCN1c2ccc(S(=O)(=O)N(C)C)cc2N[C@H](CC(=O)Nc2c(C)cccc2C)C1=O ZINC000009631454 132323975 /nfs/dbraw/zinc/32/39/75/132323975.db2.gz DIOVYHADHIIJRO-GOSISDBHSA-N 0 0 444.557 2.730 50 0 IFAARN O=C(NC1CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000009640251 132324231 /nfs/dbraw/zinc/32/42/31/132324231.db2.gz QOLIYUHQECAMBA-UHFFFAOYSA-N 0 0 435.590 2.760 50 0 IFAARN Cc1nc2ccn(Cc3ccco3)c(=O)c2cc1C(=O)N1CCN(c2ccccn2)CC1 ZINC000009686120 132325810 /nfs/dbraw/zinc/32/58/10/132325810.db2.gz VHCGYGOODSMDMK-UHFFFAOYSA-N 0 0 429.480 2.704 50 0 IFAARN NC(=O)c1ccc(-c2nnn(CC(=O)N3c4ccccc4OC[C@H]3c3ccccc3)n2)cc1 ZINC000009723793 132327628 /nfs/dbraw/zinc/32/76/28/132327628.db2.gz BTKJTMYSAHMRIM-FQEVSTJZSA-N 0 0 440.463 2.606 50 0 IFAARN CCCCn1c(N)c(N(C(=O)CN2CCCc3ccccc32)C2CCCC2)c(=O)[nH]c1=O ZINC000009835995 132329749 /nfs/dbraw/zinc/32/97/49/132329749.db2.gz YVIBDNDKCLJCMR-UHFFFAOYSA-N 0 0 439.560 2.647 50 0 IFAARN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3)cc2)CC1 ZINC000009906349 132331073 /nfs/dbraw/zinc/33/10/73/132331073.db2.gz ONSLELWWTQTRSV-UHFFFAOYSA-N 0 0 426.542 2.637 50 0 IFAARN CS(=O)(=O)N1CCN(c2ccccc2NC(=O)COc2cccc3ccccc32)CC1 ZINC000009934649 132332042 /nfs/dbraw/zinc/33/20/42/132332042.db2.gz RKNLXAXDSGFDTN-UHFFFAOYSA-N 0 0 439.537 2.939 50 0 IFAARN O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009952722 132332667 /nfs/dbraw/zinc/33/26/67/132332667.db2.gz HXOGCEKHDBPNBJ-UHFFFAOYSA-N 0 0 445.296 2.591 50 0 IFAARN COc1ccccc1CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000010516651 132335954 /nfs/dbraw/zinc/33/59/54/132335954.db2.gz QBVOEFMZDCEROF-UHFFFAOYSA-N 0 0 434.422 2.685 50 0 IFAARN COc1ccc2c(c1)CCCN2C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000010542071 132336068 /nfs/dbraw/zinc/33/60/68/132336068.db2.gz HLONSGMXNAWZQC-IZZDOVSWSA-N 0 0 442.537 2.709 50 0 IFAARN CCOc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3OC)CC2)cc1OCC ZINC000010998714 132336899 /nfs/dbraw/zinc/33/68/99/132336899.db2.gz JFZPCDGHDPCZIR-UHFFFAOYSA-N 0 0 442.512 2.998 50 0 IFAARN COC[C@@H](C)NC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O ZINC000011121026 132337443 /nfs/dbraw/zinc/33/74/43/132337443.db2.gz TUXYJXZIMIBZCI-GFCCVEGCSA-N 0 0 439.331 2.776 50 0 IFAARN O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000011697735 132339244 /nfs/dbraw/zinc/33/92/44/132339244.db2.gz WFCOUVJGWOXLKN-UHFFFAOYSA-N 0 0 430.921 2.780 50 0 IFAARN O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)N1CCN(c2ncccn2)CC1 ZINC000011834924 132340522 /nfs/dbraw/zinc/34/05/22/132340522.db2.gz WNBSSDQWGGTZFF-UHFFFAOYSA-N 0 0 440.504 2.606 50 0 IFAARN O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000012976991 132341122 /nfs/dbraw/zinc/34/11/22/132341122.db2.gz RVJAXJAPQVEPFO-QFIPXVFZSA-N 0 0 439.523 2.910 50 0 IFAARN COc1ccc(C)cc1CN1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000013000820 132341569 /nfs/dbraw/zinc/34/15/69/132341569.db2.gz JHGYVDUDGGNIGS-UHFFFAOYSA-N 0 0 437.592 2.711 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000013038177 132342915 /nfs/dbraw/zinc/34/29/15/132342915.db2.gz ZEUHDWCNTSYKGG-FQEVSTJZSA-N 0 0 426.542 2.741 50 0 IFAARN O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000013057265 132343531 /nfs/dbraw/zinc/34/35/31/132343531.db2.gz XTFKLJYGAKYICR-UHFFFAOYSA-N 0 0 442.585 2.622 50 0 IFAARN Cc1cc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)cc(C)c1Cl ZINC000013073463 132344099 /nfs/dbraw/zinc/34/40/99/132344099.db2.gz MNHLNFLBUADGLE-UHFFFAOYSA-N 0 0 435.977 2.974 50 0 IFAARN CC(C)C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000013113137 132344809 /nfs/dbraw/zinc/34/48/09/132344809.db2.gz USYYELKQQXPAGF-HBMCJLEFSA-N 0 0 427.520 2.840 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013114761 132344928 /nfs/dbraw/zinc/34/49/28/132344928.db2.gz GKWJJDXJRWODEI-OAHLLOKOSA-N 0 0 447.461 2.986 50 0 IFAARN COc1cc(NC(=O)[C@H]2CCCN(c3nc(Cl)nc4nc[nH]c43)C2)cc(OC)c1OC ZINC000013549229 132349551 /nfs/dbraw/zinc/34/95/51/132349551.db2.gz UOOKJROQXBLCOU-NSHDSACASA-N 0 0 446.895 2.887 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1cc(Cl)ccc1Cl ZINC000013566576 132350393 /nfs/dbraw/zinc/35/03/93/132350393.db2.gz ZFYWGWDCHLNZPL-UHFFFAOYSA-N 0 0 428.297 2.745 50 0 IFAARN COc1cccc(N2CCN(C(=O)[C@@H](C)Sc3nc(Cl)nc4[nH]cnc43)CC2)c1 ZINC000013570779 132350798 /nfs/dbraw/zinc/35/07/98/132350798.db2.gz DYZGLQAAIHFSEL-GFCCVEGCSA-N 0 0 432.937 2.844 50 0 IFAARN Cc1ccccc1-c1ccc(N2CCN(C(=O)COc3ccc4c(c3)OCO4)CC2)nn1 ZINC000013666776 132352763 /nfs/dbraw/zinc/35/27/63/132352763.db2.gz NWPGTTDUJMHVPL-UHFFFAOYSA-N 0 0 432.480 2.908 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000013688544 132353577 /nfs/dbraw/zinc/35/35/77/132353577.db2.gz URPXMGSDFNGION-UHFFFAOYSA-N 0 0 433.917 2.726 50 0 IFAARN Cn1c(=O)c2c(nc1N1CCN(C(=O)COc3ccccc3)CC1)sc1c2CCCC1 ZINC000013729122 132354205 /nfs/dbraw/zinc/35/42/05/132354205.db2.gz DLTXCTREXFZBEC-UHFFFAOYSA-N 0 0 438.553 2.601 50 0 IFAARN O=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 ZINC000013848338 132355069 /nfs/dbraw/zinc/35/50/69/132355069.db2.gz PMEZJGOKYMPNCO-MHWRWJLKSA-N 0 0 436.497 2.507 50 0 IFAARN CCOC(=O)c1sc(NC(=O)N(C)CC(=O)NC(C)(C)C)c(C(=O)OCC)c1C ZINC000024571494 517695566 /nfs/dbraw/zinc/69/55/66/517695566.db2.gz GBZOFMCYGHSESA-UHFFFAOYSA-N 0 0 427.523 2.788 50 0 IFAARN CC(=O)c1ccc(N2CCN(CC(=O)N3CCN([C@H](C)c4ccccc4)CC3)CC2)cc1 ZINC000012527760 518349655 /nfs/dbraw/zinc/34/96/55/518349655.db2.gz JMHSQMBEUFHRPZ-OAQYLSRUSA-N 0 0 434.584 2.917 50 0 IFAARN CC(=O)c1ccc(N2CCN(CC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)c(F)c1 ZINC000035349144 518350942 /nfs/dbraw/zinc/35/09/42/518350942.db2.gz NPXABBFCRCMBNT-UHFFFAOYSA-N 0 0 426.492 2.597 50 0 IFAARN CC(=O)c1ccc(NC(=O)CSc2nnc3c4sc(N(C)C)nc4ncn23)cc1 ZINC000033300861 518362916 /nfs/dbraw/zinc/36/29/16/518362916.db2.gz ZYHCAVNJXAIVDF-UHFFFAOYSA-N 0 0 427.515 2.733 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1 ZINC000035456030 518364158 /nfs/dbraw/zinc/36/41/58/518364158.db2.gz GTRQGKUSZIJMKW-UHFFFAOYSA-N 0 0 430.508 2.951 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000017041872 518366177 /nfs/dbraw/zinc/36/61/77/518366177.db2.gz SAUVTNOCGFHXPT-UHFFFAOYSA-N 0 0 442.475 2.756 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012268788 518405994 /nfs/dbraw/zinc/40/59/94/518405994.db2.gz MDHNIHVPPYSOAG-LRYXAPPNSA-N 0 0 447.553 2.885 50 0 IFAARN CC(=O)c1cccc(NC(=O)NCCn2cnc3cc(S(=O)(=O)NC(C)C)ccc32)c1 ZINC000033310088 518435233 /nfs/dbraw/zinc/43/52/33/518435233.db2.gz YRKAEMKWSXJDOG-UHFFFAOYSA-N 0 0 443.529 2.747 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000021216499 518460592 /nfs/dbraw/zinc/46/05/92/518460592.db2.gz LKRMXXAWQZTRBH-UHFFFAOYSA-N 0 0 425.304 2.959 50 0 IFAARN CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(C(=O)NCCN5CCOCC5)nc4c23)C1 ZINC000020503833 518979311 /nfs/dbraw/zinc/97/93/11/518979311.db2.gz XUEKJROHCIVPNB-AWEZNQCLSA-N 0 0 442.589 2.552 50 0 IFAARN CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000022615072 519002817 /nfs/dbraw/zinc/00/28/17/519002817.db2.gz SCPUNCCAVBBECG-UKRRQHHQSA-N 0 0 430.530 2.605 50 0 IFAARN CC(C)(C)c1cc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000022615073 519003507 /nfs/dbraw/zinc/00/35/07/519003507.db2.gz SCPUNCCAVBBECG-HIFRSBDPSA-N 0 0 430.530 2.605 50 0 IFAARN CC(C)C[C@H](C(=O)NCc1ccc(CN2CCOCC2)o1)N1Cc2ccccc2C1=O ZINC000020531410 519290393 /nfs/dbraw/zinc/29/03/93/519290393.db2.gz FMLWDUOHEWZSIJ-JOCHJYFZSA-N 0 0 425.529 2.799 50 0 IFAARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1(C)C ZINC000012696502 519442961 /nfs/dbraw/zinc/44/29/61/519442961.db2.gz LWZJUWCHDLHKRH-WIYYLYMNSA-N 0 0 448.585 2.919 50 0 IFAARN CC(C)C(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000021682663 519519193 /nfs/dbraw/zinc/51/91/93/519519193.db2.gz IQEJLBONGMEZIQ-UHFFFAOYSA-N 0 0 441.912 2.782 50 0 IFAARN CC(C)N(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C(C)C ZINC000035714232 519556356 /nfs/dbraw/zinc/55/63/56/519556356.db2.gz VGFXYVZMBOMXGG-UHFFFAOYSA-N 0 0 430.954 2.927 50 0 IFAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)CC1 ZINC000022562574 519588686 /nfs/dbraw/zinc/58/86/86/519588686.db2.gz NIZAZXZDGCHQDN-UHFFFAOYSA-N 0 0 435.933 2.754 50 0 IFAARN CC(C)CCC(=O)N1CCN(c2ncccc2C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000022653526 519633400 /nfs/dbraw/zinc/63/34/00/519633400.db2.gz KRAUAQPQAOUGTJ-UHFFFAOYSA-N 0 0 438.528 2.825 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000021022108 519639124 /nfs/dbraw/zinc/63/91/24/519639124.db2.gz BMXRDEJITJWEJB-HXUWFJFHSA-N 0 0 431.489 2.527 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c3ccccc3)cc2C[C@H]1C ZINC000020529465 519639223 /nfs/dbraw/zinc/63/92/23/519639223.db2.gz KFJVSUNZXLTWPF-CVEARBPZSA-N 0 0 429.542 2.530 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCCC3=CCCCC3)cc2C[C@H]1C ZINC000020529344 519639226 /nfs/dbraw/zinc/63/92/26/519639226.db2.gz WJTHUAAOSZCJGJ-MRXNPFEDSA-N 0 0 433.574 2.659 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCCCCC4)C3)cc2C[C@@H]1C ZINC000020529244 519639241 /nfs/dbraw/zinc/63/92/41/519639241.db2.gz MUUXPLVQQZLZBC-PKOBYXMFSA-N 0 0 447.601 2.787 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N3c4ccccc4C[C@@H]3C)cc2C[C@@H]1C ZINC000020529573 519639349 /nfs/dbraw/zinc/63/93/49/519639349.db2.gz GSZMUKLFFYBRDL-HOTGVXAUSA-N 0 0 441.553 2.630 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCc3ccccc3Cl)cc2C[C@H]1C ZINC000020529377 519639466 /nfs/dbraw/zinc/63/94/66/519639466.db2.gz FXWSNCXYVXWASV-CQSZACIVSA-N 0 0 449.960 2.622 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(Cl)cc3)cc2C[C@@H]1C ZINC000020529375 519639857 /nfs/dbraw/zinc/63/98/57/519639857.db2.gz BXVAIHBJRCTZIT-ZDUSSCGKSA-N 0 0 435.933 2.945 50 0 IFAARN CC(C)N(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 ZINC000012316129 519664235 /nfs/dbraw/zinc/66/42/35/519664235.db2.gz GSWKCOQEHRNZMO-QFIPXVFZSA-N 0 0 433.556 2.701 50 0 IFAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(-n4cnnn4)c3)n2)s1 ZINC000012806247 519675240 /nfs/dbraw/zinc/67/52/40/519675240.db2.gz GRAOZQWNPBJZIQ-UHFFFAOYSA-N 0 0 425.499 2.736 50 0 IFAARN CC(=O)N[C@@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000012808660 519680360 /nfs/dbraw/zinc/68/03/60/519680360.db2.gz PUMSLMYPEBKLQG-VUPJLDGMSA-N 0 0 430.313 2.671 50 0 IFAARN CC(C)NC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)C)CC2)cc1)C(C)C ZINC000036005783 519710146 /nfs/dbraw/zinc/71/01/46/519710146.db2.gz YQGQBKWDBNEGGT-UHFFFAOYSA-N 0 0 446.596 2.694 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1 ZINC000012237725 519723402 /nfs/dbraw/zinc/72/34/02/519723402.db2.gz UKQBOXOYKYDQFC-UHFFFAOYSA-N 0 0 436.859 2.833 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000012906349 519726054 /nfs/dbraw/zinc/72/60/54/519726054.db2.gz JHEKICANSJBSBH-HUUCEWRRSA-N 0 0 431.514 2.695 50 0 IFAARN CC(C)CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000012886717 519740500 /nfs/dbraw/zinc/74/05/00/519740500.db2.gz ZSCWQEMHSRKYMF-VSUDMRMVSA-N 0 0 444.535 2.915 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc32)c1 ZINC000020486055 519741265 /nfs/dbraw/zinc/74/12/65/519741265.db2.gz VVHHKOPCINTGHC-QHCPKHFHSA-N 0 0 443.507 2.899 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c1 ZINC000012237812 519742764 /nfs/dbraw/zinc/74/27/64/519742764.db2.gz AJFZKLPTEPSPPX-UHFFFAOYSA-N 0 0 430.468 2.796 50 0 IFAARN CC(C)OC(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000014710076 519747311 /nfs/dbraw/zinc/74/73/11/519747311.db2.gz XKYHEDUNARESHL-FMIVXFBMSA-N 0 0 429.494 2.946 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)cc1 ZINC000020466553 519779323 /nfs/dbraw/zinc/77/93/23/519779323.db2.gz KBHKOBFVFDJAAP-UHFFFAOYSA-N 0 0 443.573 2.985 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1 ZINC000021808131 519779584 /nfs/dbraw/zinc/77/95/84/519779584.db2.gz HKNFLTODHXDXET-QGZVFWFLSA-N 0 0 429.546 2.737 50 0 IFAARN CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000041098154 519797958 /nfs/dbraw/zinc/79/79/58/519797958.db2.gz OPGLOLYUTULGIH-OPAMFIHVSA-N 0 0 437.496 2.590 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cnc2ccccc2c1 ZINC000012781833 519799427 /nfs/dbraw/zinc/79/94/27/519799427.db2.gz PRYVBSIFSBKYEN-OAQYLSRUSA-N 0 0 441.509 2.948 50 0 IFAARN CC(C)[C@H](NC(=O)CSc1nnnn1C[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 ZINC000021733461 519818774 /nfs/dbraw/zinc/81/87/74/519818774.db2.gz GWFJENFWGAGBIF-UZLBHIALSA-N 0 0 447.561 2.619 50 0 IFAARN CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1)c1ccc2c(c1)OCCO2 ZINC000012862262 519819900 /nfs/dbraw/zinc/81/99/00/519819900.db2.gz OPUYJYSPVIMGRM-FQEVSTJZSA-N 0 0 433.530 2.698 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012781292 519820379 /nfs/dbraw/zinc/82/03/79/519820379.db2.gz UBXBMOGMKNDFGN-KDOFPFPSSA-N 0 0 441.484 2.730 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NC1CCC(C)CC1 ZINC000020582009 519821310 /nfs/dbraw/zinc/82/13/10/519821310.db2.gz MIMUWOGPSHLLIS-GRXDXKALSA-N 0 0 435.590 2.959 50 0 IFAARN CC(C)[C@H](Sc1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccco1)C(=O)NC(N)=O ZINC000012772550 519824161 /nfs/dbraw/zinc/82/41/61/519824161.db2.gz JJYZZVBOMDNFOP-LZWOXQAQSA-N 0 0 434.566 2.713 50 0 IFAARN CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012382911 519834192 /nfs/dbraw/zinc/83/41/92/519834192.db2.gz WEMBHQRAKVGPRM-PLDFPGSMSA-N 0 0 426.538 2.884 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000021662747 519890566 /nfs/dbraw/zinc/89/05/66/519890566.db2.gz BJVLJNXPHBGCEI-FQEVSTJZSA-N 0 0 429.542 2.927 50 0 IFAARN CCOCCCNC(=O)[C@H]1CCCN(C(=O)CCc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC000035510189 519893925 /nfs/dbraw/zinc/89/39/25/519893925.db2.gz IIWZDSHYVJVIST-SFHVURJKSA-N 0 0 435.565 2.522 50 0 IFAARN CCOCCCNC(=O)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000035458551 519895224 /nfs/dbraw/zinc/89/52/24/519895224.db2.gz AQQKDTHWCUFAAU-JOCHJYFZSA-N 0 0 435.524 2.994 50 0 IFAARN CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C1=CCCCC1 ZINC000034878593 519911993 /nfs/dbraw/zinc/91/19/93/519911993.db2.gz UACBXEDMRKTVGS-UHFFFAOYSA-N 0 0 433.574 2.502 50 0 IFAARN CC(C)n1nnn(CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1=S ZINC000022912056 520140259 /nfs/dbraw/zinc/14/02/59/520140259.db2.gz RVZJLBLFNLAKOO-UHFFFAOYSA-N 0 0 443.499 2.623 50 0 IFAARN CC1(C)CC(=O)CC(C)(C)N1C(=O)COC(=O)c1ccccc1SCC(=O)NC1CC1 ZINC000022521254 520272736 /nfs/dbraw/zinc/27/27/36/520272736.db2.gz HVRGKVDAPCMKHD-UHFFFAOYSA-N 0 0 446.569 2.963 50 0 IFAARN CCN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000016588533 520320954 /nfs/dbraw/zinc/32/09/54/520320954.db2.gz PRZQISFLMIIVOL-UHFFFAOYSA-N 0 0 436.434 2.992 50 0 IFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000015934642 520352506 /nfs/dbraw/zinc/35/25/06/520352506.db2.gz JPTKBPLPXVYBSR-AWEZNQCLSA-N 0 0 431.439 2.814 50 0 IFAARN CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000012790374 520359565 /nfs/dbraw/zinc/35/95/65/520359565.db2.gz NAHDLTUSNWKTIX-UHFFFAOYSA-N 0 0 438.572 2.608 50 0 IFAARN CCCOc1ccc(CNC(=O)c2ccc(CN3CC(=O)N4CCC[C@H]4C3=O)cc2)cc1 ZINC000021527269 520363626 /nfs/dbraw/zinc/36/36/26/520363626.db2.gz DSCPSEUYHWEPRI-QFIPXVFZSA-N 0 0 435.524 2.739 50 0 IFAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O ZINC000012784743 520368267 /nfs/dbraw/zinc/36/82/67/520368267.db2.gz OICJZEZIKFCKBZ-UHFFFAOYSA-N 0 0 438.459 2.789 50 0 IFAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CN(C)Cc2cccnc2)CC1 ZINC000012320788 520462179 /nfs/dbraw/zinc/46/21/79/520462179.db2.gz RDWFJAXNMJPTPV-UHFFFAOYSA-N 0 0 439.556 2.937 50 0 IFAARN CCOC(=O)C1=C(C)N(CC(=O)NCc2cccnc2)c2ncnn2[C@H]1c1ccc(C)cc1 ZINC000021350875 520474513 /nfs/dbraw/zinc/47/45/13/520474513.db2.gz MOLXQLAYJGPFTM-QFIPXVFZSA-N 0 0 446.511 2.544 50 0 IFAARN CCOC(=O)C1=C(C)N(CC(=O)NCc2ccccc2)c2ncnn2[C@@H]1c1ccccc1 ZINC000021349936 520474639 /nfs/dbraw/zinc/47/46/39/520474639.db2.gz XLIUIEVTRZODBV-JOCHJYFZSA-N 0 0 431.496 2.841 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000035991187 520511716 /nfs/dbraw/zinc/51/17/16/520511716.db2.gz RNTFDWLXWYWOMH-NRFANRHFSA-N 0 0 431.533 2.949 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000035991433 520511898 /nfs/dbraw/zinc/51/18/98/520511898.db2.gz SWAYBVRZRWRULQ-GHTZIAJQSA-N 0 0 443.544 2.865 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@@H](C)Oc2ccccc2)NC(=O)N[C@H]1c1cccs1 ZINC000012804785 520523101 /nfs/dbraw/zinc/52/31/01/520523101.db2.gz URJAHKXTDAFIAK-ACJLOTCBSA-N 0 0 430.482 2.930 50 0 IFAARN CCOC(=O)C1=C(N)N(C)c2ccccc2[C@]12C(=O)OC(C)=C2C(=O)OCc1ccccc1 ZINC000020609263 520528751 /nfs/dbraw/zinc/52/87/51/520528751.db2.gz NPSPBIRUXSPYPL-RUZDIDTESA-N 0 0 448.475 2.682 50 0 IFAARN CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@]12c1ccccc1N(C)C2=O ZINC000015016871 520531782 /nfs/dbraw/zinc/53/17/82/520531782.db2.gz KHFTVYPLENXFQP-XMMPIXPASA-N 0 0 430.464 2.569 50 0 IFAARN CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc12 ZINC000012411546 520542918 /nfs/dbraw/zinc/54/29/18/520542918.db2.gz NKJLSSFMOVZLIK-UHFFFAOYSA-N 0 0 435.480 2.893 50 0 biogenic,in-vitro IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NC1CCCC1)C(=O)[C@@H]1CCCCN21 ZINC000035445633 520556617 /nfs/dbraw/zinc/55/66/17/520556617.db2.gz AVHKXCNUMHIWTL-FQEVSTJZSA-N 0 0 426.561 2.933 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(C)ccc1OC)C(=O)CO2 ZINC000035377106 520557621 /nfs/dbraw/zinc/55/76/21/520557621.db2.gz VDBQULZUBDOBJM-UHFFFAOYSA-N 0 0 425.485 2.850 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1nccs1)C(=O)[C@H]1CCCCN21 ZINC000035445693 520557930 /nfs/dbraw/zinc/55/79/30/520557930.db2.gz QVFZFSQUKDBXGZ-QGZVFWFLSA-N 0 0 441.557 2.969 50 0 IFAARN CCN(CC)C(=O)c1ccc2oc(CN3CCN(C(=O)NCc4ccco4)CC3)nc2c1 ZINC000033127471 520558066 /nfs/dbraw/zinc/55/80/66/520558066.db2.gz CINLNVXENPLWHE-UHFFFAOYSA-N 0 0 439.516 2.930 50 0 IFAARN CCCCN1C(=O)[C@@](NC(=O)c2cccc(OC)c2)(C(F)(F)F)C(C(=O)OC)=C1C ZINC000020582818 520563162 /nfs/dbraw/zinc/56/31/62/520563162.db2.gz IMVVZPYUUDQZBH-LJQANCHMSA-N 0 0 428.407 2.815 50 0 IFAARN CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)c3ccc(NC(C)=O)cc3)CC2)nn1 ZINC000243956691 520563744 /nfs/dbraw/zinc/56/37/44/520563744.db2.gz CCAOCLFKJPOREJ-KDURUIRLSA-N 0 0 426.521 2.632 50 0 IFAARN CCOC(=O)C1CC[NH+]([C@H](c2sc3ncnn3c2[O-])c2ccc(OC)c(OC)c2)CC1 ZINC000022609353 520582306 /nfs/dbraw/zinc/58/23/06/520582306.db2.gz FJCAXUANDDFVLZ-KRWDZBQOSA-N 0 0 446.529 2.878 50 0 IFAARN CCCCNC(=O)CN1CCN(S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 ZINC000022277553 520617780 /nfs/dbraw/zinc/61/77/80/520617780.db2.gz PXMCTALQVSWWLX-UHFFFAOYSA-N 0 0 436.405 2.833 50 0 IFAARN CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)s2)C1 ZINC000033275486 520654516 /nfs/dbraw/zinc/65/45/16/520654516.db2.gz BCGVFQBPNJWCHU-OAHLLOKOSA-N 0 0 444.623 2.939 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCN(c3ccccc3)CC2)c1 ZINC000013056328 520791795 /nfs/dbraw/zinc/79/17/95/520791795.db2.gz MOJINKCYAIFJCG-UHFFFAOYSA-N 0 0 444.601 2.786 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc3nsnc32)cc1 ZINC000021245408 520792340 /nfs/dbraw/zinc/79/23/40/520792340.db2.gz DQNUYOVCXDWCPE-UHFFFAOYSA-N 0 0 448.526 2.517 50 0 IFAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(OCC(N)=O)cc2)NC(=O)N1 ZINC000016474798 520808035 /nfs/dbraw/zinc/80/80/35/520808035.db2.gz CEESLDSELCRRGU-GOSISDBHSA-N 0 0 448.401 2.836 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Cn2cncn2)cc1 ZINC000021898669 520811868 /nfs/dbraw/zinc/81/18/68/520811868.db2.gz NQVQIRFIRVUGOV-UHFFFAOYSA-N 0 0 439.541 2.560 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000015400459 520811962 /nfs/dbraw/zinc/81/19/62/520811962.db2.gz CPLZVYAKCITYTQ-UHFFFAOYSA-N 0 0 447.557 2.694 50 0 IFAARN CCOC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)s1 ZINC000021333120 520814153 /nfs/dbraw/zinc/81/41/53/520814153.db2.gz XZZZXMQFNUSHQD-UHFFFAOYSA-N 0 0 435.936 2.503 50 0 IFAARN CCOC(=O)Cn1c2ccc(S(=O)(=O)N(CC)c3ccc(C)c(C)c3)cc2oc1=O ZINC000009636688 520916922 /nfs/dbraw/zinc/91/69/22/520916922.db2.gz RGYWBGAFJPGJJS-UHFFFAOYSA-N 0 0 432.498 2.990 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)C[S@@](=O)Cc2nc(-c3ccccc3C)oc2C)CC1 ZINC000015937045 520927541 /nfs/dbraw/zinc/92/75/41/520927541.db2.gz XNCFLRVVDJMYCT-WJOKGBTCSA-N 0 0 447.557 2.944 50 0 IFAARN CCOC(=O)N1CCN(C(=O)[C@H](C)n2nc(C)c3sc4ccccc4c3c2=O)CC1 ZINC000020901577 520947789 /nfs/dbraw/zinc/94/77/89/520947789.db2.gz REIYOVQERTWFEQ-AWEZNQCLSA-N 0 0 428.514 2.781 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CC1 ZINC000021894670 520951304 /nfs/dbraw/zinc/95/13/04/520951304.db2.gz SUCOJOKADABAIM-UHFFFAOYSA-N 0 0 435.477 2.541 50 0 IFAARN CCOc1ccc(CCNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000020901436 520952837 /nfs/dbraw/zinc/95/28/37/520952837.db2.gz RGMNOLXXSDFQRK-KRWDZBQOSA-N 0 0 443.573 2.639 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CN1CCN(CCOc3ccc(Cl)cc3)CC1)C2=O ZINC000022804645 520964383 /nfs/dbraw/zinc/96/43/83/520964383.db2.gz JNGXUAXDPUVMEH-UHFFFAOYSA-N 0 0 434.968 2.795 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CCc1nc(-c3ccc(Cl)cc3)no1)C2=O ZINC000012912789 520965486 /nfs/dbraw/zinc/96/54/86/520965486.db2.gz WXDSQAREIKWNDJ-UHFFFAOYSA-N 0 0 431.880 2.855 50 0 IFAARN CCOc1ccc(CNC(=O)CCc2nc(CS(=O)(=O)c3ccc(C)cc3)no2)cc1 ZINC000033062895 520983499 /nfs/dbraw/zinc/98/34/99/520983499.db2.gz KFJVWMAABXVILS-UHFFFAOYSA-N 0 0 443.525 3.000 50 0 IFAARN CCOc1ccc(CNS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1OCC ZINC000021650784 521004088 /nfs/dbraw/zinc/00/40/88/521004088.db2.gz PQNOONISNAKMOV-UHFFFAOYSA-N 0 0 440.905 2.947 50 0 IFAARN CCOc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3C)n(N)c2=O)cc1 ZINC000012347959 521014231 /nfs/dbraw/zinc/01/42/31/521014231.db2.gz ZAHVXKRFXHITCN-UHFFFAOYSA-N 0 0 439.541 2.689 50 0 IFAARN CCN(CC[NH+](C)C)c1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000035397473 521044879 /nfs/dbraw/zinc/04/48/79/521044879.db2.gz SENQQGNPWRZOQN-UHFFFAOYSA-N 0 0 446.573 2.847 50 0 IFAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000021532117 521058563 /nfs/dbraw/zinc/05/85/63/521058563.db2.gz VFORMKINCHSQJK-UHFFFAOYSA-N 0 0 431.514 2.619 50 0 IFAARN CCC(=O)N(Cc1ccncc1)Cc1cc(OC)c(OCCN2CCOCC2)c(OC)c1 ZINC000020453879 521090752 /nfs/dbraw/zinc/09/07/52/521090752.db2.gz VFLUPFBDYUUFOO-UHFFFAOYSA-N 0 0 443.544 2.749 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(C3CCCC3)cc(C(=O)NCC(C)C)c2=O)C1 ZINC000012156208 521111368 /nfs/dbraw/zinc/11/13/68/521111368.db2.gz LDTHRTYIAVXKJI-QGZVFWFLSA-N 0 0 445.560 2.765 50 0 IFAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCn3ccnc3)cc2)cc1 ZINC000012544431 521129945 /nfs/dbraw/zinc/12/99/45/521129945.db2.gz UOSBBJSECFQDDL-UHFFFAOYSA-N 0 0 428.514 2.903 50 0 IFAARN CCOc1ccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 ZINC000011919066 521162523 /nfs/dbraw/zinc/16/25/23/521162523.db2.gz MHWXYGUVYCIXGY-INIZCTEOSA-N 0 0 425.485 2.686 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NC1CCCC1 ZINC000021635993 521166902 /nfs/dbraw/zinc/16/69/02/521166902.db2.gz LLYUNXPUFXJJDB-FQEVSTJZSA-N 0 0 433.574 2.588 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccn3)C2)cc1Cl ZINC000013567106 521193144 /nfs/dbraw/zinc/19/31/44/521193144.db2.gz SRNREAUTDPLLSO-OAHLLOKOSA-N 0 0 437.949 2.851 50 0 IFAARN CCC(=O)Nc1nc2ccc(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2s1 ZINC000032959667 521229895 /nfs/dbraw/zinc/22/98/95/521229895.db2.gz ONMGFIYWLJENME-UHFFFAOYSA-N 0 0 426.498 2.765 50 0 IFAARN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2sc(=O)[nH]c2c1 ZINC000020609182 521253950 /nfs/dbraw/zinc/25/39/50/521253950.db2.gz YZEXHXKINRLGRN-KRWDZBQOSA-N 0 0 445.522 2.524 50 0 IFAARN CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N(C)c4ccccc4)CC3)c2c1 ZINC000022752875 521310470 /nfs/dbraw/zinc/31/04/70/521310470.db2.gz NFPWBQWRWFYDFH-UHFFFAOYSA-N 0 0 435.524 2.972 50 0 biogenic,in-vitro IFAARN CCN(Cc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000012914827 521329647 /nfs/dbraw/zinc/32/96/47/521329647.db2.gz UDADINTTYFVLNB-UHFFFAOYSA-N 0 0 427.526 2.914 50 0 IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCc4cccc(OC)c4)CC3)sc2n1 ZINC000021165883 521346503 /nfs/dbraw/zinc/34/65/03/521346503.db2.gz YHPLKPOMSYHVRC-UHFFFAOYSA-N 0 0 441.557 2.645 50 0 IFAARN CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)CN2C(=O)CSC2=O)C1 ZINC000012430113 521353219 /nfs/dbraw/zinc/35/32/19/521353219.db2.gz NSDJDXQYXUYFFH-JOCHJYFZSA-N 0 0 432.542 2.877 50 0 IFAARN CCCCn1c(N)c(N(CCC)C(=O)COc2ccc(F)c(Cl)c2)c(=O)[nH]c1=O ZINC000012901698 521367858 /nfs/dbraw/zinc/36/78/58/521367858.db2.gz IGGFTLYUWLZYPB-UHFFFAOYSA-N 0 0 426.876 2.533 50 0 IFAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCN(C(=O)OCC)CC1 ZINC000035999887 521369269 /nfs/dbraw/zinc/36/92/69/521369269.db2.gz QMWZRHKBCAYKNN-ZDUSSCGKSA-N 0 0 434.468 2.585 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[C@H](NC(C)=O)c1cccs1 ZINC000021487773 521385859 /nfs/dbraw/zinc/38/58/59/521385859.db2.gz SKBKXARROQFKJV-LBPRGKRZSA-N 0 0 437.543 2.860 50 0 IFAARN CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(N4CCCC4=O)cc3)nc(N)c21 ZINC000012557530 521402947 /nfs/dbraw/zinc/40/29/47/521402947.db2.gz PJCGRMDWMRGWKU-UHFFFAOYSA-N 0 0 438.440 2.774 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000035292615 521409673 /nfs/dbraw/zinc/40/96/73/521409673.db2.gz SWJUTFJLMLCLLN-FQEVSTJZSA-N 0 0 435.977 2.825 50 0 IFAARN CCCN(C(=O)Cc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012693393 521423078 /nfs/dbraw/zinc/42/30/78/521423078.db2.gz XBNSTSNCCKTBOS-UHFFFAOYSA-N 0 0 426.904 2.806 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c(C)cccc2CC)cn1C ZINC000035376219 521446955 /nfs/dbraw/zinc/44/69/55/521446955.db2.gz UUVPTTLRDSBNQV-SFHVURJKSA-N 0 0 447.557 2.864 50 0 IFAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc(Br)o1 ZINC000032999598 521453753 /nfs/dbraw/zinc/45/37/53/521453753.db2.gz WZJQARPTTIVFOU-UHFFFAOYSA-N 0 0 436.262 2.958 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(c1ccc(OC)cc1)C2=O ZINC000021878989 521455808 /nfs/dbraw/zinc/45/58/08/521455808.db2.gz MWMRJRKPNRIOIB-HSZRJFAPSA-N 0 0 440.500 2.546 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(c1ccccc1F)C2=O ZINC000021879029 521455848 /nfs/dbraw/zinc/45/58/48/521455848.db2.gz GIYJXNJIVGLLRG-JOCHJYFZSA-N 0 0 428.464 2.677 50 0 IFAARN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccccc2)C1 ZINC000035325246 521490423 /nfs/dbraw/zinc/49/04/23/521490423.db2.gz CUTURUXILSJXMY-FQEVSTJZSA-N 0 0 445.585 2.837 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CC(=O)N4CCCC[C@@H]4C3=O)cc2)cc1 ZINC000020532260 521515197 /nfs/dbraw/zinc/51/51/97/521515197.db2.gz HZWFOSKYZMWQOB-OAQYLSRUSA-N 0 0 449.507 2.839 50 0 IFAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NC)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966568 521544121 /nfs/dbraw/zinc/54/41/21/521544121.db2.gz RTUWQRMWCMIIBJ-IAGOWNOFSA-N 0 0 438.450 2.659 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1nc2ccc(Sc3ccccc3)nn2c1=O ZINC000033261746 521553279 /nfs/dbraw/zinc/55/32/79/521553279.db2.gz ZGFRQYDRZYXLJW-UHFFFAOYSA-N 0 0 449.492 2.858 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cc4c(cc3C(C)=O)OCO4)cc2)c1N ZINC000021115376 521578930 /nfs/dbraw/zinc/57/89/30/521578930.db2.gz PQBXRSVHNLQCLD-UHFFFAOYSA-N 0 0 436.424 2.815 50 0 IFAARN CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cnsn1)CC2 ZINC000014754165 521605061 /nfs/dbraw/zinc/60/50/61/521605061.db2.gz CFRMIXXDNPYQHO-UHFFFAOYSA-N 0 0 425.514 2.743 50 0 IFAARN CCCn1c(=O)c2cc(Br)ccc2nc1S[C@H](C)C(=O)N1CCOCC1 ZINC000023077706 521616737 /nfs/dbraw/zinc/61/67/37/521616737.db2.gz RJTDVZNPDSEXTN-GFCCVEGCSA-N 0 0 440.363 2.908 50 0 IFAARN CCCn1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)nc2ccccc21 ZINC000021355588 521632883 /nfs/dbraw/zinc/63/28/83/521632883.db2.gz XOUOFRSIWWYIAG-QHCPKHFHSA-N 0 0 435.484 2.861 50 0 IFAARN CCCn1c2nc(C(C)C)nc(SCC[S@@](=O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000032931571 521640791 /nfs/dbraw/zinc/64/07/91/521640791.db2.gz RGVJUXYAGUYORR-PMERELPUSA-N 0 0 446.598 2.924 50 0 IFAARN CCN1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000035989286 521669109 /nfs/dbraw/zinc/66/91/09/521669109.db2.gz BCJQDCLICAWZFU-HXUWFJFHSA-N 0 0 426.517 2.509 50 0 IFAARN CCOCCCNC(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000021880558 521710333 /nfs/dbraw/zinc/71/03/33/521710333.db2.gz JHTVVJJCRNAIPT-UHFFFAOYSA-N 0 0 432.521 2.509 50 0 IFAARN CCOCCCNC(=O)N(C)CCc1noc(-c2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000033278009 521711197 /nfs/dbraw/zinc/71/11/97/521711197.db2.gz MZWBFJKNKYNKBJ-UHFFFAOYSA-N 0 0 429.521 2.583 50 0 IFAARN CCOCCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000022382637 521714496 /nfs/dbraw/zinc/71/44/96/521714496.db2.gz AJFUABGFJBXMDT-INIZCTEOSA-N 0 0 433.368 2.535 50 0 IFAARN CCN1CCc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2C1 ZINC000021295362 521724775 /nfs/dbraw/zinc/72/47/75/521724775.db2.gz AIRGHAIFHHIBTE-UHFFFAOYSA-N 0 0 440.616 2.622 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1C ZINC000012778332 521750362 /nfs/dbraw/zinc/75/03/62/521750362.db2.gz NFDXRPVCQGQION-UHFFFAOYSA-N 0 0 433.530 2.523 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C ZINC000012858109 521753783 /nfs/dbraw/zinc/75/37/83/521753783.db2.gz ONZMKGSFTVPZCL-UHFFFAOYSA-N 0 0 425.532 2.527 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1cccc(OC)c1)CCC2 ZINC000028166639 521784647 /nfs/dbraw/zinc/78/46/47/521784647.db2.gz DWHXXJIHTBJTMH-UHFFFAOYSA-N 0 0 445.526 2.739 50 0 IFAARN CCc1ccccc1-n1c(N)c2c(C)nnc-2nc1S[C@@H](CC)C(=O)N1CCOCC1 ZINC000020759844 521801786 /nfs/dbraw/zinc/80/17/86/521801786.db2.gz MGSWZLPSEARMEL-KRWDZBQOSA-N 0 0 440.573 2.828 50 0 IFAARN CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1 ZINC000012738530 521810133 /nfs/dbraw/zinc/81/01/33/521810133.db2.gz KGLBDUHSPBQRBR-UHFFFAOYSA-N 0 0 442.493 2.817 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2-c1ccccc1 ZINC000020345142 521829767 /nfs/dbraw/zinc/82/97/67/521829767.db2.gz HGIARTNWOVKQKO-UHFFFAOYSA-N 0 0 431.448 2.699 50 0 IFAARN CCc1ccccc1NC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C ZINC000015557763 521873701 /nfs/dbraw/zinc/87/37/01/521873701.db2.gz BJDYCVQDBKLFTH-UHFFFAOYSA-N 0 0 429.542 2.710 50 0 IFAARN CC[C@H](C)[C@@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(C)C1=O ZINC000036029188 521894904 /nfs/dbraw/zinc/89/49/04/521894904.db2.gz CAXXSWXVARKAGP-LRDDRELGSA-N 0 0 434.389 2.951 50 0 IFAARN CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2cc(OC)cc(OC)c2)c1=O ZINC000012035877 521923435 /nfs/dbraw/zinc/92/34/35/521923435.db2.gz CZTOQVQNJODZAA-UHFFFAOYSA-N 0 0 427.501 2.660 50 0 IFAARN COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc(OC)c1OC ZINC000012880518 521934898 /nfs/dbraw/zinc/93/48/98/521934898.db2.gz VXSWLBQHGJWQFR-CMDGGOBGSA-N 0 0 426.469 2.837 50 0 IFAARN CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)ccc1Cl ZINC000012656837 521971282 /nfs/dbraw/zinc/97/12/82/521971282.db2.gz XEGATOUSXFHAJA-UHFFFAOYSA-N 0 0 446.312 2.621 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000012413994 521976493 /nfs/dbraw/zinc/97/64/93/521976493.db2.gz GEHVBBBTMFODBI-UHFFFAOYSA-N 0 0 438.509 2.514 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)s1 ZINC000012545260 521979869 /nfs/dbraw/zinc/97/98/69/521979869.db2.gz ADEGHHGBGUMQBL-UHFFFAOYSA-N 0 0 442.994 2.684 50 0 IFAARN COCCc1ccc(-n2c(-c3ccc(C)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000012461994 522008899 /nfs/dbraw/zinc/00/88/99/522008899.db2.gz FZKJXDQYGJDNDW-UHFFFAOYSA-N 0 0 443.507 2.840 50 0 IFAARN COCCc1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000012748745 522012961 /nfs/dbraw/zinc/01/29/61/522012961.db2.gz CQYUSTJDWOTRSM-UHFFFAOYSA-N 0 0 439.555 2.818 50 0 IFAARN COCCn1c(CN(C(=O)C(C)C)C2CC2)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036039872 522064370 /nfs/dbraw/zinc/06/43/70/522064370.db2.gz CVAMBGCSGPXMSE-UHFFFAOYSA-N 0 0 437.537 2.790 50 0 IFAARN COCCn1c(SCC(=O)NC[C@@H]2COc3ccccc3O2)nnc1-c1ccccc1 ZINC000012885295 522069747 /nfs/dbraw/zinc/06/97/47/522069747.db2.gz QDDWPSKLZUIWIL-QGZVFWFLSA-N 0 0 440.525 2.640 50 0 IFAARN COCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccncc1 ZINC000002621288 522071687 /nfs/dbraw/zinc/07/16/87/522071687.db2.gz ZDXPRURLOWVFQS-UHFFFAOYSA-N 0 0 426.502 2.676 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1 ZINC000022630688 522091066 /nfs/dbraw/zinc/09/10/66/522091066.db2.gz OEAFXEFRJZNNLC-UHFFFAOYSA-N 0 0 440.525 2.946 50 0 IFAARN COCCn1ccc2nc(C)c(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2c1=O ZINC000021917011 522135797 /nfs/dbraw/zinc/13/57/97/522135797.db2.gz KBXHGOUQIKQZIS-UHFFFAOYSA-N 0 0 434.540 2.931 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)NC(C)(C)C)CC3)c(C)s2)no1 ZINC000035502679 522143102 /nfs/dbraw/zinc/14/31/02/522143102.db2.gz KFIURQTZGMKCRM-UHFFFAOYSA-N 0 0 440.591 2.984 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 ZINC000012801897 522150675 /nfs/dbraw/zinc/15/06/75/522150675.db2.gz XQOXTHDQCBQUBE-UHFFFAOYSA-N 0 0 431.539 2.589 50 0 IFAARN COC(=O)c1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000016401022 522174613 /nfs/dbraw/zinc/17/46/13/522174613.db2.gz SMEFJBOUVOTWJA-LJQANCHMSA-N 0 0 441.509 2.922 50 0 IFAARN COc1cc(C(C)=O)ccc1OC[C@H](O)Cn1nnc(-c2ccc(Br)cc2)n1 ZINC000012919185 522176012 /nfs/dbraw/zinc/17/60/12/522176012.db2.gz UPIYUSHFMNYSIR-MRXNPFEDSA-N 0 0 447.289 2.754 50 0 IFAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)Cn1nnc(-c2ccc(Br)cc2)n1 ZINC000012919180 522176451 /nfs/dbraw/zinc/17/64/51/522176451.db2.gz UPIYUSHFMNYSIR-INIZCTEOSA-N 0 0 447.289 2.754 50 0 IFAARN COC(=O)c1ccc2oc(=O)n(C3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)c2c1 ZINC000022667225 522189287 /nfs/dbraw/zinc/18/92/87/522189287.db2.gz QLPSXOYZLXRNDX-UHFFFAOYSA-N 0 0 440.452 2.876 50 0 IFAARN CCc1nc(C)c(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)[nH]1 ZINC000012447548 522201195 /nfs/dbraw/zinc/20/11/95/522201195.db2.gz MDOLDRKTSOXHQP-UHFFFAOYSA-N 0 0 430.549 2.709 50 0 IFAARN COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc2c(c1)OCCO2)CC3 ZINC000033129309 522231084 /nfs/dbraw/zinc/23/10/84/522231084.db2.gz XQFORNPSKKTGRD-UHFFFAOYSA-N 0 0 435.480 2.613 50 0 IFAARN COC(=O)c1cccc(NC(=O)NCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)c1 ZINC000035511974 522233078 /nfs/dbraw/zinc/23/30/78/522233078.db2.gz PRNOQDCOGOGMBT-UHFFFAOYSA-N 0 0 441.469 2.907 50 0 IFAARN COc1cc(CCNC(C)=O)c(S(=O)(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000012364300 522334854 /nfs/dbraw/zinc/33/48/54/522334854.db2.gz ZZYRCEMCAMRPSD-UHFFFAOYSA-N 0 0 426.922 2.514 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccc(C)cc1)[C@](C)(C(=O)NCc1ccccc1)C2 ZINC000021926227 522392520 /nfs/dbraw/zinc/39/25/20/522392520.db2.gz TVDFNPAMKMZCDE-VWLOTQADSA-N 0 0 446.507 2.709 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1C)[C@](C)(C(=O)NC1CCCCC1)C2 ZINC000021873111 522393763 /nfs/dbraw/zinc/39/37/63/522393763.db2.gz GZRSXMURZLOKHY-DEOSSOPVSA-N 0 0 438.528 2.842 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(c1ccc(F)cc1)[C@@](C)(C(=O)NCc1ccccc1)C2 ZINC000021926211 522396516 /nfs/dbraw/zinc/39/65/16/522396516.db2.gz WSZLRYKBSAKZQL-HSZRJFAPSA-N 0 0 436.443 2.544 50 0 IFAARN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O ZINC000012753528 522431079 /nfs/dbraw/zinc/43/10/79/522431079.db2.gz DLGOVOFIWNHVBZ-CVEARBPZSA-N 0 0 426.517 2.839 50 0 IFAARN COC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000012149681 522442446 /nfs/dbraw/zinc/44/24/46/522442446.db2.gz USDNIOXSVMPXSC-NVQXNPDNSA-N 0 0 449.551 2.739 50 0 IFAARN CN(CC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)C(=O)c1ccco1 ZINC000012766636 522477193 /nfs/dbraw/zinc/47/71/93/522477193.db2.gz PEXFPMHZWBALDY-WJDWOHSUSA-N 0 0 447.900 2.858 50 0 IFAARN CN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020487182 522484405 /nfs/dbraw/zinc/48/44/05/522484405.db2.gz MDLCVHNMKQDFMT-UHFFFAOYSA-N 0 0 449.960 2.531 50 0 IFAARN COc1cc(COC(=O)c2ccc(CCNS(C)(=O)=O)s2)ccc1OC(F)F ZINC000021762172 522497871 /nfs/dbraw/zinc/49/78/71/522497871.db2.gz SOKTXTYYTNDFFV-UHFFFAOYSA-N 0 0 435.470 2.807 50 0 IFAARN COc1cc(COC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)ccc1OC(F)F ZINC000021490119 522498892 /nfs/dbraw/zinc/49/88/92/522498892.db2.gz WUOANZRDWABMQG-UHFFFAOYSA-N 0 0 427.425 2.976 50 0 IFAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CSc1nc(N)cc(=O)[nH]1 ZINC000012877249 522503575 /nfs/dbraw/zinc/50/35/75/522503575.db2.gz AKSJPOCNXHLLTB-UHFFFAOYSA-N 0 0 449.842 2.626 50 0 IFAARN CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020486945 522512138 /nfs/dbraw/zinc/51/21/38/522512138.db2.gz FDCHRBLKDGDSJS-UHFFFAOYSA-N 0 0 435.933 2.853 50 0 IFAARN COc1cc(Cl)c(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000035431001 522527516 /nfs/dbraw/zinc/52/75/16/522527516.db2.gz IXTLQAVOAPLUNJ-HNNXBMFYSA-N 0 0 438.889 2.676 50 0 IFAARN CN(CC(=O)OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1ncccn1 ZINC000040087938 522532920 /nfs/dbraw/zinc/53/29/20/522532920.db2.gz SJAVAUUVWLSDSC-HNNXBMFYSA-N 0 0 441.538 2.957 50 0 IFAARN COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)CCN3CCCC3=O)C2)cc(OC)c1 ZINC000014970731 522652723 /nfs/dbraw/zinc/65/27/23/522652723.db2.gz WVWQCBXNQVYAFN-KRWDZBQOSA-N 0 0 431.533 2.674 50 0 IFAARN COc1cc(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)cc(OC)c1OC ZINC000022865237 522657460 /nfs/dbraw/zinc/65/74/60/522657460.db2.gz DEEQZGJIHBFNSQ-JXMROGBWSA-N 0 0 425.529 2.982 50 0 IFAARN COc1cc(NC(=O)CSc2nccnc2N2CCSCC2)cc(OC)c1OC ZINC000021363714 522668370 /nfs/dbraw/zinc/66/83/70/522668370.db2.gz GIPNWZUPTFWCHY-UHFFFAOYSA-N 0 0 436.559 2.786 50 0 IFAARN CC[C@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(Br)cc1 ZINC000016695278 522669030 /nfs/dbraw/zinc/66/90/30/522669030.db2.gz OQJMOSNKCCELFV-INIZCTEOSA-N 0 0 429.318 2.885 50 0 IFAARN COC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000012582691 522693974 /nfs/dbraw/zinc/69/39/74/522693974.db2.gz QMYZIMISBNWPLA-HSZRJFAPSA-N 0 0 437.540 2.807 50 0 IFAARN CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)N3CCCCC3)c1)NC(=O)CCC2=O ZINC000033276695 522703972 /nfs/dbraw/zinc/70/39/72/522703972.db2.gz NKCNQKZXSDORTK-UHFFFAOYSA-N 0 0 430.530 2.968 50 0 IFAARN COc1cc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc(OC)c1OC ZINC000015858686 522725667 /nfs/dbraw/zinc/72/56/67/522725667.db2.gz QLCNGPHBNFSQNM-UHFFFAOYSA-N 0 0 448.497 2.667 50 0 IFAARN COCC(=O)N1CCC(Oc2ccccc2C(=O)N(C)C[C@H](O)c2ccccc2)CC1 ZINC000012373760 522739618 /nfs/dbraw/zinc/73/96/18/522739618.db2.gz XULCEBNTCWQTNG-NRFANRHFSA-N 0 0 426.513 2.508 50 0 IFAARN CCc1nnc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2CCOC)s1 ZINC000020605379 522761483 /nfs/dbraw/zinc/76/14/83/522761483.db2.gz OTXLGSZSEOVFDV-UHFFFAOYSA-N 0 0 444.542 2.669 50 0 IFAARN CCc1nnc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccco3)n2CC)s1 ZINC000012851393 522765463 /nfs/dbraw/zinc/76/54/63/522765463.db2.gz HZTHHKBOGXXDDO-JTQLQIEISA-N 0 0 435.535 2.527 50 0 IFAARN COCC(=O)NC[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1cccc(F)c1 ZINC000036048414 522767795 /nfs/dbraw/zinc/76/77/95/522767795.db2.gz JEPLGEGERJPOBQ-SFHVURJKSA-N 0 0 431.464 2.737 50 0 IFAARN COCC(=O)Nc1cnn(-c2ccc(C(=O)N3CCN(C)[C@@H](c4ccccc4)C3)cc2)c1 ZINC000020992722 522787443 /nfs/dbraw/zinc/78/74/43/522787443.db2.gz PWFKBCKIHLCBAF-JOCHJYFZSA-N 0 0 433.512 2.586 50 0 IFAARN COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000012741241 522867894 /nfs/dbraw/zinc/86/78/94/522867894.db2.gz OCSXYIGPZHQTBF-NHYWBVRUSA-N 0 0 433.313 2.694 50 0 IFAARN CN(CCOc1ccc(Cl)cc1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000012806819 522903688 /nfs/dbraw/zinc/90/36/88/522903688.db2.gz VPYBPBYFEIPMPA-JOCHJYFZSA-N 0 0 427.888 2.571 50 0 IFAARN CN(CCS(=O)(=O)c1ccc(Br)cc1)CC(=O)Nc1ccc(F)cc1 ZINC000012697905 522921321 /nfs/dbraw/zinc/92/13/21/522921321.db2.gz LDQBCWRMNNFDQR-UHFFFAOYSA-N 0 0 429.311 2.932 50 0 IFAARN CCc1noc2ncnc(N3CCC[C@H](C(=O)NCCc4ccc(OC)c(OC)c4)C3)c12 ZINC000021881522 522928679 /nfs/dbraw/zinc/92/86/79/522928679.db2.gz JWOOEVBDPVAYQZ-INIZCTEOSA-N 0 0 439.516 2.773 50 0 IFAARN COC(=O)CCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000012314095 522941531 /nfs/dbraw/zinc/94/15/31/522941531.db2.gz NRZFFJZGIRQVAF-UHFFFAOYSA-N 0 0 438.524 2.982 50 0 IFAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@H](CCCO)C3)cc2)CC1 ZINC000012459343 522942497 /nfs/dbraw/zinc/94/24/97/522942497.db2.gz JRWPANVLTOBKGI-LJQANCHMSA-N 0 0 432.561 2.718 50 0 IFAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCC[C@@H]3CCCO)cc2)CC1 ZINC000012570636 522942933 /nfs/dbraw/zinc/94/29/33/522942933.db2.gz VEKFXWKRNPFKSV-HXUWFJFHSA-N 0 0 432.561 2.860 50 0 IFAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ncccc3C)cc2)CC1 ZINC000012435033 522943217 /nfs/dbraw/zinc/94/32/17/522943217.db2.gz YLTJBAAYFILCRQ-UHFFFAOYSA-N 0 0 425.529 2.769 50 0 IFAARN COc1cc([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000012427963 522965838 /nfs/dbraw/zinc/96/58/38/522965838.db2.gz PZUVNKFKOAUDIU-JOCHJYFZSA-N 0 0 433.464 2.540 50 0 IFAARN COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)ccc1OCC(N)=O ZINC000020892925 522967631 /nfs/dbraw/zinc/96/76/31/522967631.db2.gz AQDUTQZQZGOMIQ-OAQYLSRUSA-N 0 0 438.509 2.828 50 0 IFAARN COc1cc2[nH]c3c(ncn(CC(=O)NCc4ccccc4Cl)c3=O)c2cc1OC ZINC000035423683 522988030 /nfs/dbraw/zinc/98/80/30/522988030.db2.gz WIVNIYDDXNMVFB-UHFFFAOYSA-N 0 0 426.860 2.865 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(-c3cccnc3)n1C)CC2 ZINC000008987261 523030008 /nfs/dbraw/zinc/03/00/08/523030008.db2.gz LKNDOKHDWNBWNB-UHFFFAOYSA-N 0 0 425.514 2.571 50 0 IFAARN COc1cc2c(cc1OC)CN(S(=O)(=O)c1cc(C)c3[nH]c(=O)cc(C)c3c1)CC2 ZINC000012445790 523032185 /nfs/dbraw/zinc/03/21/85/523032185.db2.gz BYJSWYGXTSNJLQ-UHFFFAOYSA-N 0 0 428.510 2.909 50 0 IFAARN COc1cc2cc(C(=O)N[C@@H](C)C(=O)Nc3ncc(C)s3)n(C)c2c(OC)c1OC ZINC000012325060 523056896 /nfs/dbraw/zinc/05/68/96/523056896.db2.gz XXELNKPOMROZKC-NSHDSACASA-N 0 0 432.502 2.726 50 0 IFAARN COc1cc2cc(C(=O)N[C@H](C(=O)Nc3ccccn3)C(C)C)n(C)c2c(OC)c1OC ZINC000012324192 523057329 /nfs/dbraw/zinc/05/73/29/523057329.db2.gz CGPDBGKQFTXULN-SFHVURJKSA-N 0 0 440.500 2.992 50 0 IFAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000012688260 523080026 /nfs/dbraw/zinc/08/00/26/523080026.db2.gz OFKKIAMETCVDLR-CQSZACIVSA-N 0 0 441.465 2.856 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)[nH]n2)cc1S(=O)(=O)N(C)C ZINC000021806339 523095461 /nfs/dbraw/zinc/09/54/61/523095461.db2.gz NFYFNBJYZLTPFX-UHFFFAOYSA-N 0 0 440.525 2.534 50 0 IFAARN COc1ccc(-c2cc(C(=O)N[C@H](C(=O)NCc3ccccn3)C(C)C)no2)c(OC)c1 ZINC000035992483 523100488 /nfs/dbraw/zinc/10/04/88/523100488.db2.gz DDLUTHGALBXDPT-NRFANRHFSA-N 0 0 438.484 2.825 50 0 IFAARN COc1ccc(-c2cc(NC(=O)Cn3nnn(-c4cccs4)c3=O)ccc2OC)cc1 ZINC000022134491 523112175 /nfs/dbraw/zinc/11/21/75/523112175.db2.gz DHKBOLPTJABUIT-UHFFFAOYSA-N 0 0 437.481 2.813 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)N[C@@H](C)CCc4ccccc4)ncn3n2)cc1 ZINC000020466385 523117189 /nfs/dbraw/zinc/11/71/89/523117189.db2.gz ORJBGPOXWIQGHT-KRWDZBQOSA-N 0 0 431.496 2.704 50 0 IFAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000012807868 523148866 /nfs/dbraw/zinc/14/88/66/523148866.db2.gz ZDYKLYCDPPRWLE-HNNXBMFYSA-N 0 0 436.555 2.835 50 0 IFAARN CCn1c(CCC(=O)N2CCc3ccccc3C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000021897684 523178519 /nfs/dbraw/zinc/17/85/19/523178519.db2.gz QGVPJCOJPARCRI-UHFFFAOYSA-N 0 0 440.569 2.824 50 0 IFAARN CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000020677223 523190753 /nfs/dbraw/zinc/19/07/53/523190753.db2.gz KPMSXWXQJXBKBY-UHFFFAOYSA-N 0 0 435.528 2.981 50 0 IFAARN CCn1c(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012627624 523195722 /nfs/dbraw/zinc/19/57/22/523195722.db2.gz GMWPLIBWSPBHRQ-UHFFFAOYSA-N 0 0 446.529 2.811 50 0 IFAARN COc1ccc(-c2nc(CN(CCO)[C@H]3CCS(=O)(=O)C3)c(C)o2)c2ccccc12 ZINC000020448640 523199941 /nfs/dbraw/zinc/19/99/41/523199941.db2.gz MGWQNBVBINQJJU-INIZCTEOSA-N 0 0 430.526 2.793 50 0 IFAARN CCn1c(SCC(=O)N2CCCCC2)nc(=O)c2c(C(=O)OC)cc(C3CC3)nc21 ZINC000012413737 523218037 /nfs/dbraw/zinc/21/80/37/523218037.db2.gz UNHRJFCDSZFQAA-UHFFFAOYSA-N 0 0 430.530 2.580 50 0 IFAARN COC(=O)COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000016361629 523227274 /nfs/dbraw/zinc/22/72/74/523227274.db2.gz KMQYVWZZVSGRAK-HXUWFJFHSA-N 0 0 441.509 2.679 50 0 IFAARN CCn1c2ccc(-c3noc([C@@H](C)NS(=O)(=O)c4ccc(C)cc4)n3)cc2[nH]c1=O ZINC000035553382 523259236 /nfs/dbraw/zinc/25/92/36/523259236.db2.gz NPUDQJIDYLHLQD-CYBMUJFWSA-N 0 0 427.486 2.747 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCN(c2ccccc2)CC1 ZINC000023749914 523266627 /nfs/dbraw/zinc/26/66/27/523266627.db2.gz NHZMWGKBNYUADF-UHFFFAOYSA-N 0 0 427.574 2.629 50 0 IFAARN COc1ccc(-c2nnc3sc(SCC(=O)NC4CCCCC4)nn3c2=O)cc1 ZINC000016954623 523269581 /nfs/dbraw/zinc/26/95/81/523269581.db2.gz NKAQIPICSSKHAZ-UHFFFAOYSA-N 0 0 431.543 2.763 50 0 IFAARN COC(=O)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000012777098 523273574 /nfs/dbraw/zinc/27/35/74/523273574.db2.gz MIFUVYKBWHLCEO-FXAWDEMLSA-N 0 0 448.516 2.647 50 0 IFAARN CCn1cc(-c2cc(C(=O)N3CCN(Cc4cnn(C)c4)CC3)c3ccccc3n2)cn1 ZINC000020614045 523298716 /nfs/dbraw/zinc/29/87/16/523298716.db2.gz OAWUDSQDGJWLDC-UHFFFAOYSA-N 0 0 429.528 2.810 50 0 IFAARN COCCCN1CCS(=O)(=O)c2c(F)c(F)c(C(=O)Nc3ccccc3)c(F)c21 ZINC000012323053 523303968 /nfs/dbraw/zinc/30/39/68/523303968.db2.gz QQORGARCJAOBRE-UHFFFAOYSA-N 0 0 428.432 2.986 50 0 IFAARN COCCCNC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033260139 523313952 /nfs/dbraw/zinc/31/39/52/523313952.db2.gz JYVDSRLECCTMGT-UHFFFAOYSA-N 0 0 428.924 2.814 50 0 IFAARN COCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012760707 523314307 /nfs/dbraw/zinc/31/43/07/523314307.db2.gz KLJYIJFVRJSRIH-UHFFFAOYSA-N 0 0 442.887 2.912 50 0 IFAARN COc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3c2=O)cc1 ZINC000020508804 523326706 /nfs/dbraw/zinc/32/67/06/523326706.db2.gz YPSRQQQRNIHMSY-UHFFFAOYSA-N 0 0 441.491 2.752 50 0 IFAARN CN(Cc1ccccc1)C(=O)CN1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2C ZINC000034792903 523326826 /nfs/dbraw/zinc/32/68/26/523326826.db2.gz QBJUYYXXFUSFJH-NRFANRHFSA-N 0 0 438.915 2.791 50 0 IFAARN CCn1cc(C(=O)Nc2nccs2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 ZINC000012323310 523348325 /nfs/dbraw/zinc/34/83/25/523348325.db2.gz PKQWMJFAQJVJHL-UHFFFAOYSA-N 0 0 443.504 2.538 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)sc(=O)n2CC(=O)N1CCCC1 ZINC000035503429 523350869 /nfs/dbraw/zinc/35/08/69/523350869.db2.gz JWKJRLRJQXGHEO-UHFFFAOYSA-N 0 0 445.566 2.506 50 0 IFAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CSc2nncn2C)cc1 ZINC000012718824 523351883 /nfs/dbraw/zinc/35/18/83/523351883.db2.gz WDSQEYBXBZMICN-KRWDZBQOSA-N 0 0 426.546 2.931 50 0 IFAARN COc1ccc(-n2ncc3c2ncn(Cc2nc(-c4ccccc4OC)no2)c3=O)cc1 ZINC000033293077 523351941 /nfs/dbraw/zinc/35/19/41/523351941.db2.gz RURPSQIDLFNTKW-UHFFFAOYSA-N 0 0 430.424 2.698 50 0 IFAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)Cc2cnc3ncnn3c2)cc1 ZINC000012707742 523352005 /nfs/dbraw/zinc/35/20/05/523352005.db2.gz RLVHVZHBPIUDKF-IBGZPJMESA-N 0 0 431.500 2.691 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036060093 523352551 /nfs/dbraw/zinc/35/25/51/523352551.db2.gz MFULKJMHCOVFII-NHCUHLMSSA-N 0 0 426.513 2.712 50 0 IFAARN COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CSc3nc4ccccc4[nH]3)nc(=O)c12 ZINC000012749444 523363123 /nfs/dbraw/zinc/36/31/23/523363123.db2.gz BIOGGOLEADYOHG-UHFFFAOYSA-N 0 0 444.494 2.655 50 0 IFAARN CN(Cc1ccccc1F)C(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022915529 523364956 /nfs/dbraw/zinc/36/49/56/523364956.db2.gz HUBWHTDXPGYBCF-UHFFFAOYSA-N 0 0 432.927 2.694 50 0 IFAARN CC[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2c([O-])[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)[NH2+]1 ZINC000012892349 523407303 /nfs/dbraw/zinc/40/73/03/523407303.db2.gz ORSQOPFGRYPMEL-ZSEKCTLFSA-N 0 0 432.480 2.735 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)NC3CCCCCC3)c(C)cc2NC1=O ZINC000035453031 523417275 /nfs/dbraw/zinc/41/72/75/523417275.db2.gz DYMBRKXEFXUHQY-QGZVFWFLSA-N 0 0 437.562 2.564 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1c(C)cccc1C ZINC000021713752 523487111 /nfs/dbraw/zinc/48/71/11/523487111.db2.gz NZMMAXAJZCSPHO-UHFFFAOYSA-N 0 0 431.496 2.683 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccc(C)cc1)c(=O)n2CC(=O)Nc1ccc(C)cc1C ZINC000021713826 523487139 /nfs/dbraw/zinc/48/71/39/523487139.db2.gz OYPMRNQUUCQTQM-UHFFFAOYSA-N 0 0 445.523 2.992 50 0 IFAARN CCn1ccnc1CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 ZINC000012445759 523539025 /nfs/dbraw/zinc/53/90/25/523539025.db2.gz CFJFEHPJNSJOEB-UHFFFAOYSA-N 0 0 426.517 2.621 50 0 IFAARN CN(Cc1[nH]nc2c1CCCC2)C(=O)COc1ccc(N(C)Cc2ccc(F)cc2)nn1 ZINC000012149006 523544011 /nfs/dbraw/zinc/54/40/11/523544011.db2.gz CPAGTMIPVYESLC-UHFFFAOYSA-N 0 0 438.507 2.891 50 0 IFAARN COc1ccc(C(=O)Cn2cnc3c2c(=O)n(C2CC2)c(=O)n3-c2cccc(C)c2)cc1 ZINC000034693512 523596162 /nfs/dbraw/zinc/59/61/62/523596162.db2.gz ABKQWPZRDACNMZ-UHFFFAOYSA-N 0 0 430.464 2.884 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3cc(C)ccc3C)c(C)cc2NC1=O ZINC000035453107 523601722 /nfs/dbraw/zinc/60/17/22/523601722.db2.gz LRTJMUMZEYIAFV-SFHVURJKSA-N 0 0 445.541 2.981 50 0 IFAARN CC[C@]1(C)NC(=O)N(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1=O ZINC000009750943 523605332 /nfs/dbraw/zinc/60/53/32/523605332.db2.gz VZDMPIJZMQTRLF-VGSWGCGISA-N 0 0 442.903 2.953 50 0 IFAARN COC(=O)[C@@H](NC(=O)CC[C@]1(Cc2ccc(F)c(OC)c2)CCC(=O)N1)c1ccccc1 ZINC000012205478 523607060 /nfs/dbraw/zinc/60/70/60/523607060.db2.gz YWRMCHURSPQZOI-LADGPHEKSA-N 0 0 442.487 2.836 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)C1=O ZINC000015951975 523631376 /nfs/dbraw/zinc/63/13/76/523631376.db2.gz PJCOAICJNSQOAG-XMMPIXPASA-N 0 0 436.512 2.558 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N(C)C ZINC000012789518 523637581 /nfs/dbraw/zinc/63/75/81/523637581.db2.gz PUPGVDNBZGRNTP-QGZVFWFLSA-N 0 0 446.525 2.694 50 0 IFAARN CCn1nc(C)c(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc32)c1C ZINC000012746004 523643371 /nfs/dbraw/zinc/64/33/71/523643371.db2.gz XOKIBURGXYEAFA-HSZRJFAPSA-N 0 0 433.556 2.680 50 0 IFAARN CCn1nc(C)c(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc32)c1C ZINC000012745995 523644869 /nfs/dbraw/zinc/64/48/69/523644869.db2.gz XOKIBURGXYEAFA-QHCPKHFHSA-N 0 0 433.556 2.680 50 0 IFAARN COc1ccc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 ZINC000012875941 523645433 /nfs/dbraw/zinc/64/54/33/523645433.db2.gz VMTFHQHRYYFSKY-UHFFFAOYSA-N 0 0 433.302 2.821 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)cc1)C(C)=O ZINC000035960394 523650376 /nfs/dbraw/zinc/65/03/76/523650376.db2.gz IGVGVNCVCPYUKI-HSZRJFAPSA-N 0 0 439.512 2.876 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1)C(C)=O ZINC000035961940 523650769 /nfs/dbraw/zinc/65/07/69/523650769.db2.gz CENSJXCOAHJQAH-HSZRJFAPSA-N 0 0 439.512 2.876 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1)C(=O)C1CC1 ZINC000035948145 523651617 /nfs/dbraw/zinc/65/16/17/523651617.db2.gz JOJGYJIENCTWFV-FQEVSTJZSA-N 0 0 425.485 2.851 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc(OC)ccc1OC)C(C)=O ZINC000035948588 523653298 /nfs/dbraw/zinc/65/32/98/523653298.db2.gz YIPWQUULGVVAAY-LJQANCHMSA-N 0 0 445.541 2.938 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1)C(=O)COC ZINC000035961587 523653543 /nfs/dbraw/zinc/65/35/43/523653543.db2.gz TUHQALUMRDBBDE-GOSISDBHSA-N 0 0 433.505 2.686 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F)C(=O)COC ZINC000035946753 523654365 /nfs/dbraw/zinc/65/43/65/523654365.db2.gz VXSNYIGLDUTMPM-SFHVURJKSA-N 0 0 433.505 2.686 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)cc1)C(=O)COC ZINC000035946672 523654326 /nfs/dbraw/zinc/65/43/26/523654326.db2.gz YMUVKBYZNDJWPK-IBGZPJMESA-N 0 0 445.541 2.556 50 0 IFAARN CN(c1ccnc(C(=O)NCc2ccc3c(c2)OCO3)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000020532780 523659029 /nfs/dbraw/zinc/65/90/29/523659029.db2.gz AUDIRGLYTCSCNN-UHFFFAOYSA-N 0 0 443.456 2.705 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1cc(C)cc(C)c1 ZINC000035374261 523671259 /nfs/dbraw/zinc/67/12/59/523671259.db2.gz NTUYVDRNNJLZOK-UHFFFAOYSA-N 0 0 435.484 2.585 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NCCC1=CCCCC1 ZINC000035374056 523671361 /nfs/dbraw/zinc/67/13/61/523671361.db2.gz BOVLHLOMNBYTOR-UHFFFAOYSA-N 0 0 449.555 2.743 50 0 IFAARN COCCN(CCC(=O)NCc1ccccn1)C(=O)c1cc(-c2ccccc2OC)on1 ZINC000036001470 523690234 /nfs/dbraw/zinc/69/02/34/523690234.db2.gz HAXPMGKLPQOOPM-UHFFFAOYSA-N 0 0 438.484 2.540 50 0 IFAARN CN1C(=O)c2cc(C(=O)NCCC3=CCCCC3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876185 523728060 /nfs/dbraw/zinc/72/80/60/523728060.db2.gz IBUGOQCRNARKBG-VWLOTQADSA-N 0 0 449.555 2.664 50 0 IFAARN CN1C2=C(C(=O)N(CC(=O)NCc3ccco3)C2)[C@H](c2ccc(C(C)(C)C)cc2)NC1=O ZINC000034792533 523739246 /nfs/dbraw/zinc/73/92/46/523739246.db2.gz ZXRWMCKNIVETIC-NRFANRHFSA-N 0 0 436.512 2.686 50 0 IFAARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCC(O)CC3)cc2)c(OC)c1 ZINC000032933227 523753100 /nfs/dbraw/zinc/75/31/00/523753100.db2.gz QGOOKJXXKVEUQW-UHFFFAOYSA-N 0 0 434.514 2.538 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(SCc3cc(=O)n4nc(C)sc4n3)s2)cc1 ZINC000020983489 523764783 /nfs/dbraw/zinc/76/47/83/523764783.db2.gz GAHWQHIQPSWYSF-UHFFFAOYSA-N 0 0 446.539 2.864 50 0 IFAARN CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)Cc2ccsc2)C3)n(C)n1 ZINC000012036709 523768248 /nfs/dbraw/zinc/76/82/48/523768248.db2.gz OOJBJAAKNOOADR-UHFFFAOYSA-N 0 0 437.569 2.805 50 0 IFAARN COc1ccc(C(=O)Oc2ccc([C@H]3SC(NC(C)=O)=NN3C(C)=O)cc2)cc1OC ZINC000020895742 523773308 /nfs/dbraw/zinc/77/33/08/523773308.db2.gz NYRFCXRQEIXBQN-LJQANCHMSA-N 0 0 443.481 2.924 50 0 IFAARN COc1ccc(C(=O)[C@@H]2CCCN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)cc1OC ZINC000012372927 523775908 /nfs/dbraw/zinc/77/59/08/523775908.db2.gz RQOJEDBNLZXBSD-GOSISDBHSA-N 0 0 449.507 2.844 50 0 IFAARN CC[C@H](C(=O)NCCCc1ccccc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403091 523775894 /nfs/dbraw/zinc/77/58/94/523775894.db2.gz WZZPNCBAKYDOKE-OAQYLSRUSA-N 0 0 425.504 2.524 50 0 IFAARN CCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000036028322 523797821 /nfs/dbraw/zinc/79/78/21/523797821.db2.gz UVQBFEIJCMWTSF-UHFFFAOYSA-N 0 0 428.558 2.640 50 0 IFAARN COCCN1CC(=O)N2C[C@@H](c3ccccc3OC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012878135 523810455 /nfs/dbraw/zinc/81/04/55/523810455.db2.gz PMTSKOSSJVLASK-BVZFJXPGSA-N 0 0 433.508 2.854 50 0 IFAARN CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)Cn2ccc(C)n2)CC1)c1ccccc1 ZINC000012756154 523834828 /nfs/dbraw/zinc/83/48/28/523834828.db2.gz DNASBOLDNQYHOK-QFIPXVFZSA-N 0 0 436.516 2.578 50 0 IFAARN CN(C(=O)CSc1ncnc2c1cnn2C)c1ccccc1C(=O)NCc1ccco1 ZINC000021754814 523841996 /nfs/dbraw/zinc/84/19/96/523841996.db2.gz FZGZQYMCOUAULV-UHFFFAOYSA-N 0 0 436.497 2.641 50 0 IFAARN CC[C@H](C)CC(=O)N1CCC([C@]2(Cc3cccc(F)c3)NC(=O)N(CCOC)C2=O)CC1 ZINC000012099210 523842216 /nfs/dbraw/zinc/84/22/16/523842216.db2.gz QYEIOXKECANWFI-XDHUDOTRSA-N 0 0 447.551 2.980 50 0 IFAARN CCc1ccc(-c2noc(Cn3cnc4c(nnn4-c4ccccc4OC)c3=O)n2)cc1 ZINC000035462709 523864298 /nfs/dbraw/zinc/86/42/98/523864298.db2.gz BYHTUYIYVCZWDH-UHFFFAOYSA-N 0 0 429.440 2.647 50 0 IFAARN CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000012908503 523885192 /nfs/dbraw/zinc/88/51/92/523885192.db2.gz UYSZJGQLRDGYBM-UHFFFAOYSA-N 0 0 430.526 2.557 50 0 IFAARN COc1ccc(CC(=O)Oc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000012875023 523912648 /nfs/dbraw/zinc/91/26/48/523912648.db2.gz FHZXJSHSIJVDSZ-UHFFFAOYSA-N 0 0 433.526 2.988 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(SCCOc3ccc(Cl)cc3)nc2)CC1 ZINC000012695846 523914314 /nfs/dbraw/zinc/91/43/14/523914314.db2.gz XXEVSAQCVZSPDL-UHFFFAOYSA-N 0 0 427.979 2.842 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(SCc3nccn3Cc3ccccc3)nc2)CC1 ZINC000040067314 523916324 /nfs/dbraw/zinc/91/63/24/523916324.db2.gz HIGPXSCVXBRVFS-UHFFFAOYSA-N 0 0 443.598 2.555 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(Sc3nc4ccccc4[nH]3)c3nsnc32)CC1 ZINC000036038193 523916958 /nfs/dbraw/zinc/91/69/58/523916958.db2.gz XNNCFDKSQXXZQH-UHFFFAOYSA-N 0 0 446.583 2.655 50 0 IFAARN CCc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(OC)c2OC)cc1 ZINC000012575826 523918152 /nfs/dbraw/zinc/91/81/52/523918152.db2.gz KYEAYCRRHNJFST-NRFANRHFSA-N 0 0 439.556 2.615 50 0 IFAARN CCc1ccc(CN2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021872940 523923895 /nfs/dbraw/zinc/92/38/95/523923895.db2.gz MRITUMHWLQZQDZ-DEOSSOPVSA-N 0 0 438.528 2.706 50 0 IFAARN CCc1ccc(CNC(=O)CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 ZINC000035537208 523933680 /nfs/dbraw/zinc/93/36/80/523933680.db2.gz GVUVBOWFCVHREN-UHFFFAOYSA-N 0 0 428.920 2.895 50 0 IFAARN COc1ccc(CCNC(=O)CCCn2nc(C)n3c4ccoc4cc3c2=O)cc1OC ZINC000020866415 523955561 /nfs/dbraw/zinc/95/55/61/523955561.db2.gz JMBSZGNOUPAEHS-UHFFFAOYSA-N 0 0 438.484 2.707 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)cc1 ZINC000012675684 523959873 /nfs/dbraw/zinc/95/98/73/523959873.db2.gz NUBBCXBIXDAROM-UHFFFAOYSA-N 0 0 449.536 2.877 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000020581428 523963199 /nfs/dbraw/zinc/96/31/99/523963199.db2.gz KVYCEJCUNNVMLS-UXHICEINSA-N 0 0 427.526 2.604 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc(C(=O)Nc3ncccc3C)o2)cc1OC ZINC000035597478 523976265 /nfs/dbraw/zinc/97/62/65/523976265.db2.gz XPRGZNRSZIUGCD-UHFFFAOYSA-N 0 0 445.497 2.774 50 0 IFAARN CCc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)N3C2)cc1 ZINC000014533544 523987034 /nfs/dbraw/zinc/98/70/34/523987034.db2.gz WETCMRXVIDRZMJ-UFYCRDLUSA-N 0 0 440.931 2.735 50 0 IFAARN CCc1ccc(NC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(C)C3=O)cc1 ZINC000021874710 523991322 /nfs/dbraw/zinc/99/13/22/523991322.db2.gz SYEIGKQOPBWUFO-XMMPIXPASA-N 0 0 437.544 2.991 50 0 IFAARN CC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(C)c1)N2 ZINC000020767866 524000019 /nfs/dbraw/zinc/00/00/19/524000019.db2.gz XQLJCZVYQGPURC-MGPUTAFESA-N 0 0 429.542 2.871 50 0 IFAARN COc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(OC)c1OC ZINC000012855539 524002761 /nfs/dbraw/zinc/00/27/61/524002761.db2.gz RRRPIDVLZNRQOP-HNNXBMFYSA-N 0 0 427.501 2.908 50 0 IFAARN COC(=O)c1[nH]c(C)c(C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(OC)cc2)c1C ZINC000036000885 524022207 /nfs/dbraw/zinc/02/22/07/524022207.db2.gz VGBUJYUQZPQHIN-GOSISDBHSA-N 0 0 428.485 2.931 50 0 IFAARN CN(C)C(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000012784995 524023225 /nfs/dbraw/zinc/02/32/25/524023225.db2.gz ARTCUKPFHAYAFH-UHFFFAOYSA-N 0 0 429.542 2.574 50 0 IFAARN COc1ccc(CN2CCOc3ccc(CN4CCOCC4)cc3C2)c(OC)c1OC ZINC000012131429 524035493 /nfs/dbraw/zinc/03/54/93/524035493.db2.gz KXJYHFKODMZMNH-UHFFFAOYSA-N 0 0 428.529 2.939 50 0 IFAARN COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000022495240 524050318 /nfs/dbraw/zinc/05/03/18/524050318.db2.gz IZWAZEZFYQZNSV-XMMPIXPASA-N 0 0 439.512 2.911 50 0 IFAARN COc1ccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015391113 524054397 /nfs/dbraw/zinc/05/43/97/524054397.db2.gz YJOOKPNCWQTSJE-GOSISDBHSA-N 0 0 432.542 2.954 50 0 IFAARN Cc1ccc(C)c(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000020927969 524119645 /nfs/dbraw/zinc/11/96/45/524119645.db2.gz COWAPJVUEJNXCD-QFIPXVFZSA-N 0 0 435.590 2.509 50 0 IFAARN COc1cccc([C@@H]2OCCn3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)c1O ZINC000035373189 524131191 /nfs/dbraw/zinc/13/11/91/524131191.db2.gz HULTVLSEORFYNO-QHCPKHFHSA-N 0 0 447.491 2.848 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012805869 524133197 /nfs/dbraw/zinc/13/31/97/524133197.db2.gz AFCVYTWXTSVZND-PBHICJAKSA-N 0 0 448.416 2.995 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(CCNC(=O)c2ccccc2F)n1C ZINC000009262985 524167370 /nfs/dbraw/zinc/16/73/70/524167370.db2.gz MBVIOFDCDQTPDR-RHSMWYFYSA-N 0 0 433.553 2.714 50 0 IFAARN Cc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC(C)C)N3C(=O)c2ccccc2)c1 ZINC000035986869 524171674 /nfs/dbraw/zinc/17/16/74/524171674.db2.gz MYNMSVFNWDWZDP-QFIPXVFZSA-N 0 0 449.551 2.993 50 0 IFAARN COc1cccc2c(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc(C)nc12 ZINC000012324833 524199673 /nfs/dbraw/zinc/19/96/73/524199673.db2.gz DGAVJVJXDAMNFI-UHFFFAOYSA-N 0 0 441.509 2.825 50 0 IFAARN COc1ccc(Cl)cc1NC1=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccccc21 ZINC000015019343 524241548 /nfs/dbraw/zinc/24/15/48/524241548.db2.gz CWAVPNRQJFUZIW-UHFFFAOYSA-N 0 0 434.901 2.775 50 0 IFAARN C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012757682 524245208 /nfs/dbraw/zinc/24/52/08/524245208.db2.gz HVDOZDCOPATBAV-HNNXBMFYSA-N 0 0 449.523 2.787 50 0 IFAARN COc1cccc2cc(-c3ccc(OCC(=O)N4CCC(C(N)=O)CC4)cc3)c(=O)oc21 ZINC000012391170 524254555 /nfs/dbraw/zinc/25/45/55/524254555.db2.gz GYASIZBWOPWANO-UHFFFAOYSA-N 0 0 436.464 2.571 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000012542208 524258872 /nfs/dbraw/zinc/25/88/72/524258872.db2.gz ZBLHXHBSBPRUOC-IBGZPJMESA-N 0 0 442.585 2.620 50 0 IFAARN COc1ccccc1-c1cc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)on1 ZINC000012760843 524267645 /nfs/dbraw/zinc/26/76/45/524267645.db2.gz KYOYZXWMJHFIAH-UHFFFAOYSA-N 0 0 431.489 2.996 50 0 IFAARN COc1ccccc1-c1nnc(SCC(=O)OCC(=O)c2c[nH]c3ccccc32)n1N ZINC000012929125 524289509 /nfs/dbraw/zinc/28/95/09/524289509.db2.gz YLBWVVMGGUDCMQ-UHFFFAOYSA-N 0 0 437.481 2.667 50 0 IFAARN COc1ccccc1-c1noc(COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000012782484 524293329 /nfs/dbraw/zinc/29/33/29/524293329.db2.gz NMVXQSANOKZBKL-UHFFFAOYSA-N 0 0 443.481 2.887 50 0 IFAARN COc1ccccc1-n1c(=O)n(CC(=O)Nc2cccc(F)c2)c(=O)c2c(C)cc(C)nc21 ZINC000012446450 524298222 /nfs/dbraw/zinc/29/82/22/524298222.db2.gz CEEKRLRWNIBMID-UHFFFAOYSA-N 0 0 448.454 2.951 50 0 IFAARN COc1ccc(N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000016953802 524337116 /nfs/dbraw/zinc/33/71/16/524337116.db2.gz MEPVHHRFAYPHTR-INIZCTEOSA-N 0 0 433.482 2.679 50 0 IFAARN Cc1cccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)c1 ZINC000015824947 524339675 /nfs/dbraw/zinc/33/96/75/524339675.db2.gz AMRJSMJXRFBEAR-UHFFFAOYSA-N 0 0 431.475 2.549 50 0 IFAARN COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000017908809 524344060 /nfs/dbraw/zinc/34/40/60/524344060.db2.gz IDEFUKWCZNYLJQ-UHFFFAOYSA-N 0 0 444.431 2.741 50 0 IFAARN COc1ccc(N(CC(=O)NCC(F)(F)F)S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000016047099 524358805 /nfs/dbraw/zinc/35/88/05/524358805.db2.gz SFAAUTKEPCUJGS-UHFFFAOYSA-N 0 0 438.374 2.847 50 0 IFAARN C[C@@H](CC(=O)NCc1cccs1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995646 524378742 /nfs/dbraw/zinc/37/87/42/524378742.db2.gz QNMDGJTZUDAJSO-AWEZNQCLSA-N 0 0 432.567 2.916 50 0 IFAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000012543280 524386032 /nfs/dbraw/zinc/38/60/32/524386032.db2.gz BYURWYYOMGYTCP-UHFFFAOYSA-N 0 0 436.468 2.619 50 0 IFAARN COc1ccc(N2C(=O)C[C@@H](N3CCN(CCOc4ccccc4)CC3)C2=O)cc1Cl ZINC000022807874 524389370 /nfs/dbraw/zinc/38/93/70/524389370.db2.gz FIWHIVUWVBNVPS-HXUWFJFHSA-N 0 0 443.931 2.677 50 0 IFAARN Cc1cc(C)cc(N([C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000020482066 524408692 /nfs/dbraw/zinc/40/86/92/524408692.db2.gz BENLWLVDZRKLRO-HXUWFJFHSA-N 0 0 429.586 2.802 50 0 IFAARN Cc1cc(C)cc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCCC2)c1 ZINC000020928133 524412243 /nfs/dbraw/zinc/41/22/43/524412243.db2.gz KBBOIIDEGJASMZ-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN C=C1C(NCC(=O)NCCc2ccccc2OC)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000020992560 524414407 /nfs/dbraw/zinc/41/44/07/524414407.db2.gz GWWWKCUXHYGRCV-UHFFFAOYSA-N 0 0 447.944 2.770 50 0 IFAARN Cc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000015680159 524428169 /nfs/dbraw/zinc/42/81/69/524428169.db2.gz UORGDYSCIFJYDD-HSZRJFAPSA-N 0 0 449.617 2.587 50 0 IFAARN COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000012551780 524434989 /nfs/dbraw/zinc/43/49/89/524434989.db2.gz YDRUWIGTLFUMRZ-IRXDYDNUSA-N 0 0 432.542 2.765 50 0 IFAARN COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012551783 524435302 /nfs/dbraw/zinc/43/53/02/524435302.db2.gz YDRUWIGTLFUMRZ-CALCHBBNSA-N 0 0 432.542 2.765 50 0 IFAARN C[C@H]1CCc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012634315 524440130 /nfs/dbraw/zinc/44/01/30/524440130.db2.gz BMCHCFWZKKXJFH-INIZCTEOSA-N 0 0 449.523 2.639 50 0 IFAARN COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 ZINC000012342362 524459854 /nfs/dbraw/zinc/45/98/54/524459854.db2.gz KEWBKQOMZQHJBY-OAQYLSRUSA-N 0 0 433.508 2.820 50 0 IFAARN COc1ccccc1CNC(=O)CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2 ZINC000010186683 524465524 /nfs/dbraw/zinc/46/55/24/524465524.db2.gz GGRNNWZFYCPJDM-UHFFFAOYSA-N 0 0 436.537 2.592 50 0 IFAARN COc1ccccc1CNC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)c1ccccc1 ZINC000035485255 524477925 /nfs/dbraw/zinc/47/79/25/524477925.db2.gz MEHUBOUEQWKJQN-LADGPHEKSA-N 0 0 429.520 2.883 50 0 IFAARN COc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000024648780 524488972 /nfs/dbraw/zinc/48/89/72/524488972.db2.gz GOJMPOFMEPYMPD-LJQCHSNASA-N 0 0 427.545 2.813 50 0 IFAARN COc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1Cl ZINC000020824033 524492019 /nfs/dbraw/zinc/49/20/19/524492019.db2.gz REHFKDSRNVKTJM-KRWDZBQOSA-N 0 0 426.860 2.932 50 0 IFAARN COc1ccc(NC(=O)CN2C(=O)COc3ccc(C(=O)N4CCCC4)cc32)cc1Cl ZINC000035376825 524492461 /nfs/dbraw/zinc/49/24/61/524492461.db2.gz MXTSQVQXCYQDHF-UHFFFAOYSA-N 0 0 443.887 2.949 50 0 IFAARN C[C@H](CNS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1)OC12CC3CC(CC(C3)C1)C2 ZINC000015081317 524493546 /nfs/dbraw/zinc/49/35/46/524493546.db2.gz LENCUNYTTMYRJV-BTVRXIIASA-N 0 0 432.586 2.942 50 0 IFAARN COc1ccc(NC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@H]3C2=O)cc1 ZINC000035445508 524498166 /nfs/dbraw/zinc/49/81/66/524498166.db2.gz UZQFLWQEBKHDGU-FQEVSTJZSA-N 0 0 436.512 2.741 50 0 IFAARN Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000023126468 524499655 /nfs/dbraw/zinc/49/96/55/524499655.db2.gz RTHVSIDIGWOQGC-UHFFFAOYSA-N 0 0 448.545 2.900 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000012928583 524529805 /nfs/dbraw/zinc/52/98/05/524529805.db2.gz CLJGYYGTLVMDEZ-KRWDZBQOSA-N 0 0 425.554 2.985 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(OCc3ccc(C)cc3)c(=O)cc2CO)c(OC)c1 ZINC000012231189 524531661 /nfs/dbraw/zinc/53/16/61/524531661.db2.gz HITLPZXWINSASF-UHFFFAOYSA-N 0 0 438.480 2.884 50 0 IFAARN Cc1ccc(CNC(=O)[C@H]2CCCN(c3nn4c(nc5c(c4=O)CCCC5)s3)C2)cc1 ZINC000021663875 524549543 /nfs/dbraw/zinc/54/95/43/524549543.db2.gz VLYCXXXIWLQXOZ-KRWDZBQOSA-N 0 0 437.569 2.871 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)CC1 ZINC000032943697 524560191 /nfs/dbraw/zinc/56/01/91/524560191.db2.gz RNYPQEXWNSYFDP-UHFFFAOYSA-N 0 0 447.582 2.665 50 0 IFAARN COc1ccc(NC(=O)Nc2nnc(SCCN3CCOCC3)s2)cc1OC ZINC000022908775 524581306 /nfs/dbraw/zinc/58/13/06/524581306.db2.gz BREAWCAXPIDUSG-UHFFFAOYSA-N 0 0 425.536 2.624 50 0 IFAARN COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000020902098 524583721 /nfs/dbraw/zinc/58/37/21/524583721.db2.gz HYMVMRCQLXNKDS-QFIPXVFZSA-N 0 0 430.508 2.945 50 0 IFAARN Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c1C ZINC000012919868 524587050 /nfs/dbraw/zinc/58/70/50/524587050.db2.gz KHFVGABZDRFFDD-HNNXBMFYSA-N 0 0 429.542 2.725 50 0 IFAARN COc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1S(=O)(=O)N(C)C ZINC000017579913 524620056 /nfs/dbraw/zinc/62/00/56/524620056.db2.gz QOWRQPKFLLXCAN-HXUWFJFHSA-N 0 0 447.538 2.513 50 0 IFAARN COc1ccc(NC(=O)c2ccc3nnc(SCC(=O)NCc4ccco4)n3c2)cc1 ZINC000032951600 524640108 /nfs/dbraw/zinc/64/01/08/524640108.db2.gz XHTVDTPTHAJFKU-UHFFFAOYSA-N 0 0 437.481 2.992 50 0 IFAARN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)c1 ZINC000035378937 524655833 /nfs/dbraw/zinc/65/58/33/524655833.db2.gz HARJPNYODFOBMR-INIZCTEOSA-N 0 0 443.525 2.674 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C[C@H](C)O1 ZINC000012777379 524658059 /nfs/dbraw/zinc/65/80/59/524658059.db2.gz WJGARZZDBHZUTD-IRXDYDNUSA-N 0 0 441.553 2.938 50 0 IFAARN CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)cc21 ZINC000009406978 534801542 /nfs/dbraw/zinc/80/15/42/534801542.db2.gz SKYAKZMEQUFKSR-UHFFFAOYSA-N 0 0 429.542 2.560 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2c(C)nc3nc(N)nn3c2C)CC1 ZINC000012564946 524731478 /nfs/dbraw/zinc/73/14/78/524731478.db2.gz UBUMXFCMUHECGP-UHFFFAOYSA-N 0 0 427.940 2.567 50 0 IFAARN COc1ccccc1[C@@]1(CC(=O)N2CCN(c3cc(C)ccc3C)CC2)CC(=O)N(C)C1=O ZINC000012041829 524766606 /nfs/dbraw/zinc/76/66/06/524766606.db2.gz QNLKUQCDDRHRBK-SANMLTNESA-N 0 0 449.551 2.677 50 0 IFAARN Cc1ccc(Cn2c3ccccc3n(CCC(=O)NCc3cccnc3)c(=O)c2=O)cc1 ZINC000033272491 524769054 /nfs/dbraw/zinc/76/90/54/524769054.db2.gz JQPCDLXXSSZOHZ-UHFFFAOYSA-N 0 0 428.492 2.621 50 0 IFAARN COc1ccc(OC(=O)CSc2nc(-c3ccc(OC)cc3)nc3cc(=O)[nH]n32)cc1 ZINC000021885441 524782749 /nfs/dbraw/zinc/78/27/49/524782749.db2.gz GJKYUKXDEWLYJU-UHFFFAOYSA-N 0 0 438.465 2.800 50 0 IFAARN Cc1cccc(Sc2nccnc2N2CCC[C@H](C(=O)NCCN3CCOCC3)C2)c1 ZINC000033288778 524812157 /nfs/dbraw/zinc/81/21/57/524812157.db2.gz ZLIHVKRBEZLQOA-IBGZPJMESA-N 0 0 441.601 2.601 50 0 IFAARN COc1ccc(OC)c(CCNC(=O)CCCn2nc(C)n3c4ccoc4cc3c2=O)c1 ZINC000020866603 524817378 /nfs/dbraw/zinc/81/73/78/524817378.db2.gz NZQBIBWMXMHCNX-UHFFFAOYSA-N 0 0 438.484 2.707 50 0 IFAARN COc1ccc(OC)c(NC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000033122556 524857596 /nfs/dbraw/zinc/85/75/96/524857596.db2.gz BOIWYCJDWCKDNR-UHFFFAOYSA-N 0 0 437.493 2.818 50 0 IFAARN COc1ccc(OC)c(NC(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)c1 ZINC000035432346 524857715 /nfs/dbraw/zinc/85/77/15/524857715.db2.gz QRKXPYSOFDYXIJ-UHFFFAOYSA-N 0 0 426.448 2.786 50 0 IFAARN COc1ccc(OC)c(Nc2nc(CC(=O)N3CCN(c4ncccn4)CC3)cs2)c1 ZINC000023136641 524873570 /nfs/dbraw/zinc/87/35/70/524873570.db2.gz PTWSXCHPHPOGND-UHFFFAOYSA-N 0 0 440.529 2.585 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCCC2)c1 ZINC000012197453 524879665 /nfs/dbraw/zinc/87/96/65/524879665.db2.gz ZTFNHTQMGXIWBS-QGZVFWFLSA-N 0 0 434.514 2.548 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 ZINC000012893983 524892742 /nfs/dbraw/zinc/89/27/42/524892742.db2.gz UWTPQYVWRGTCAD-YADARESESA-N 0 0 437.496 2.835 50 0 IFAARN Cc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1C ZINC000001058927 524901289 /nfs/dbraw/zinc/90/12/89/524901289.db2.gz QHHCZPDPDPESBR-SFHVURJKSA-N 0 0 433.549 2.946 50 0 IFAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 ZINC000012860157 524914411 /nfs/dbraw/zinc/91/44/11/524914411.db2.gz KZVZUHSHNCOIQI-HNNXBMFYSA-N 0 0 448.516 2.875 50 0 IFAARN COc1ccc(OC)c([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000012427961 524919392 /nfs/dbraw/zinc/91/93/92/524919392.db2.gz FDFIXIFCBHPQCA-HSZRJFAPSA-N 0 0 447.491 2.843 50 0 IFAARN C[C@H](NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc2c(c1)OCCO2 ZINC000012569101 524942856 /nfs/dbraw/zinc/94/28/56/524942856.db2.gz GHXPKBUCSXBAKB-HNNXBMFYSA-N 0 0 445.479 2.690 50 0 IFAARN C[C@H](NC(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1Cl ZINC000016589260 524943420 /nfs/dbraw/zinc/94/34/20/524943420.db2.gz NSKFCNLQOXXUBJ-KRWDZBQOSA-N 0 0 444.963 2.924 50 0 IFAARN Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)cc1C ZINC000012289049 524960186 /nfs/dbraw/zinc/96/01/86/524960186.db2.gz FRJYUVJTYFBKHE-UHFFFAOYSA-N 0 0 443.507 2.938 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2N1C(=O)C1CC1 ZINC000020529818 524981293 /nfs/dbraw/zinc/98/12/93/524981293.db2.gz DPMUWWMCVMYSLZ-ZACQAIPSSA-N 0 0 447.601 2.547 50 0 IFAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000022023524 524982951 /nfs/dbraw/zinc/98/29/51/524982951.db2.gz PPTKIZYPAOLPKL-ZETCQYMHSA-N 0 0 427.356 2.842 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3F)CC2)cc1Cl ZINC000022797773 525001783 /nfs/dbraw/zinc/00/17/83/525001783.db2.gz MGHHSSAEFWQHMR-UHFFFAOYSA-N 0 0 432.927 2.660 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCCc2ccccc2OC)cc1 ZINC000015391105 525027151 /nfs/dbraw/zinc/02/71/51/525027151.db2.gz JPXCIVNBLNMERB-LJQANCHMSA-N 0 0 446.569 2.996 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000015391098 525028163 /nfs/dbraw/zinc/02/81/63/525028163.db2.gz VGFDYBOAWJOFMH-INIZCTEOSA-N 0 0 432.498 2.996 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 ZINC000012346064 525032930 /nfs/dbraw/zinc/03/29/30/525032930.db2.gz VWQAUHBUBNHTKG-XGIGFIBQSA-N 0 0 449.529 2.668 50 0 IFAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1 ZINC000021112070 525036277 /nfs/dbraw/zinc/03/62/77/525036277.db2.gz LMFDBYCWWPOQNE-UHFFFAOYSA-N 0 0 441.553 2.910 50 0 IFAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1C ZINC000021112101 525036629 /nfs/dbraw/zinc/03/66/29/525036629.db2.gz MXYXNCXLUXJPMW-UHFFFAOYSA-N 0 0 441.553 2.910 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1C ZINC000020555159 525038607 /nfs/dbraw/zinc/03/86/07/525038607.db2.gz JPRGLLUYBAFTNC-UHFFFAOYSA-N 0 0 445.589 2.685 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)c3c[nH]c4ccccc43)CC2)cc1 ZINC000015407041 525039619 /nfs/dbraw/zinc/03/96/19/525039619.db2.gz JQPMTTSJVVYBIB-INIZCTEOSA-N 0 0 427.526 2.754 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)CCc2ccc(-c3ccccc3F)o2)C[C@@H](C)O1 ZINC000040089330 525041355 /nfs/dbraw/zinc/04/13/55/525041355.db2.gz FQJFHCLXHLFVGR-HZPDHXFCSA-N 0 0 438.521 2.574 50 0 IFAARN COc1ccc(S(=O)(=O)N2CN(C[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000245309078 525044873 /nfs/dbraw/zinc/04/48/73/525044873.db2.gz AOIJDWGTAJGIJB-MRXNPFEDSA-N 0 0 426.498 2.790 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000012748936 525044983 /nfs/dbraw/zinc/04/49/83/525044983.db2.gz SOVQHDRHFCLJBW-HOTGVXAUSA-N 0 0 430.526 2.696 50 0 IFAARN Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000011904727 525049774 /nfs/dbraw/zinc/04/97/74/525049774.db2.gz KOSDHXGWRFCODA-UHFFFAOYSA-N 0 0 442.946 2.502 50 0 IFAARN Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000022735895 525051531 /nfs/dbraw/zinc/05/15/31/525051531.db2.gz VUXGATRKKRUYMP-UHFFFAOYSA-N 0 0 434.584 2.990 50 0 IFAARN Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012561713 525059260 /nfs/dbraw/zinc/05/92/60/525059260.db2.gz OOYVIXXSQYWSNS-UHFFFAOYSA-N 0 0 442.585 2.540 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCCC2)c(OC)c1 ZINC000012197445 525062746 /nfs/dbraw/zinc/06/27/46/525062746.db2.gz NYPGQAJQPFEYTJ-KRWDZBQOSA-N 0 0 434.514 2.548 50 0 IFAARN Cc1cc(N2CCN(C(=O)Cn3cnc4c5ccccc5oc4c3=O)CC2)nc(C(C)C)n1 ZINC000016103468 525075102 /nfs/dbraw/zinc/07/51/02/525075102.db2.gz QPFDSXZQRCVPKH-UHFFFAOYSA-N 0 0 446.511 2.713 50 0 IFAARN Cc1cc(N2CCOCC2)nc(SCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)n1 ZINC000036026112 525085317 /nfs/dbraw/zinc/08/53/17/525085317.db2.gz FTARVHPQVYJINA-IBGZPJMESA-N 0 0 428.558 2.823 50 0 IFAARN Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1S(=O)(=O)N1CCCCCC1 ZINC000012757599 525108992 /nfs/dbraw/zinc/10/89/92/525108992.db2.gz OEXPRIXAGKZTAD-UHFFFAOYSA-N 0 0 427.530 2.943 50 0 IFAARN CS(=O)(=O)CC[C@H](C(=O)N1CC=C(c2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000020531454 525132932 /nfs/dbraw/zinc/13/29/32/525132932.db2.gz QMXPRZYWNAAZPU-JOCHJYFZSA-N 0 0 438.549 2.762 50 0 IFAARN Cc1ccccc1CN1CCN(CC(=O)Nc2ccc(Br)cc2)S1(=O)=O ZINC000021633968 525142505 /nfs/dbraw/zinc/14/25/05/525142505.db2.gz MZFGTGVMQXANNF-UHFFFAOYSA-N 0 0 438.347 2.759 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F ZINC000001119544 525147625 /nfs/dbraw/zinc/14/76/25/525147625.db2.gz QNBRTUCXJWISGU-UHFFFAOYSA-N 0 0 425.913 2.594 50 0 IFAARN Cc1cc(NC(=O)Cc2ccccc2)n(-c2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)n1 ZINC000012444331 525162349 /nfs/dbraw/zinc/16/23/49/525162349.db2.gz HEYUOOLIBZYBRQ-UHFFFAOYSA-N 0 0 443.442 2.923 50 0 IFAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)C1 ZINC000035586473 525165764 /nfs/dbraw/zinc/16/57/64/525165764.db2.gz SAFNFZZGUOGAOJ-SSDOTTSWSA-N 0 0 425.319 2.715 50 0 IFAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2c3c(nn2-c2nc4ccccc4s2)CCC3)C1 ZINC000035596713 525167042 /nfs/dbraw/zinc/16/70/42/525167042.db2.gz DVMMBORPLLYJMX-CYBMUJFWSA-N 0 0 445.570 2.581 50 0 IFAARN COc1ccc([C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2cccs2)N2CCOCC2)cc1 ZINC000016045428 525184163 /nfs/dbraw/zinc/18/41/63/525184163.db2.gz PGDPJKNMADOCOZ-WOJBJXKFSA-N 0 0 443.569 2.551 50 0 IFAARN COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)N2CCOCC2)cc1 ZINC000012818433 525185860 /nfs/dbraw/zinc/18/58/60/525185860.db2.gz IIEDFIJSADTMIZ-JOCHJYFZSA-N 0 0 449.555 2.966 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1F ZINC000020327112 525201424 /nfs/dbraw/zinc/20/14/24/525201424.db2.gz OLXFVRSFDOZAKM-CQSZACIVSA-N 0 0 447.488 2.618 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1Cl ZINC000033261937 525202293 /nfs/dbraw/zinc/20/22/93/525202293.db2.gz YTXJYOPPFPVLTO-KRWDZBQOSA-N 0 0 449.916 2.771 50 0 IFAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCN1CCOCC1 ZINC000021811813 525202437 /nfs/dbraw/zinc/20/24/37/525202437.db2.gz VOJHOLHRYWCOIT-XMMPIXPASA-N 0 0 442.560 2.620 50 0 IFAARN COc1ccc([C@@H](NS(C)(=O)=O)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000012371243 525203494 /nfs/dbraw/zinc/20/34/94/525203494.db2.gz RZWNYZVIUAKMDP-HXUWFJFHSA-N 0 0 432.498 2.908 50 0 IFAARN Cc1ccc(NC(=O)[C@H](C)NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012698330 525211768 /nfs/dbraw/zinc/21/17/68/525211768.db2.gz NOBMKDJJIGOQND-INIZCTEOSA-N 0 0 433.530 2.910 50 0 IFAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2Cc2ccco2)cc1F ZINC000012777205 525215149 /nfs/dbraw/zinc/21/51/49/525215149.db2.gz SEJXFTYJDHXGAC-ZDUSSCGKSA-N 0 0 431.493 2.904 50 0 IFAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccco4)c(=O)n32)cc1 ZINC000012614246 525216690 /nfs/dbraw/zinc/21/66/90/525216690.db2.gz HEYRKMUTTYGXLP-JKALPCAWSA-N 0 0 438.505 2.788 50 0 IFAARN Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)no1 ZINC000012507828 525227012 /nfs/dbraw/zinc/22/70/12/525227012.db2.gz OVLMQNVTTVWSDY-AWEZNQCLSA-N 0 0 429.454 2.968 50 0 IFAARN Cc1ccccc1NC(=O)C1(N(Cc2ccccc2)C(=O)Cn2nnnc2N)CCCCC1 ZINC000012463094 525230115 /nfs/dbraw/zinc/23/01/15/525230115.db2.gz RORSYMCHOIINOJ-UHFFFAOYSA-N 0 0 447.543 2.934 50 0 IFAARN Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000021112035 525233173 /nfs/dbraw/zinc/23/31/73/525233173.db2.gz NYMWCXPRTNOOAY-UHFFFAOYSA-N 0 0 427.526 2.601 50 0 IFAARN Cc1cc(NC(=O)c2ccccc2)n(-c2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)n1 ZINC000012444311 525251665 /nfs/dbraw/zinc/25/16/65/525251665.db2.gz BIBSKOVVSOTGHJ-UHFFFAOYSA-N 0 0 429.415 2.994 50 0 IFAARN Cc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000035334672 525258901 /nfs/dbraw/zinc/25/89/01/525258901.db2.gz FJAAMOFTFHLQBF-KSSFIOAISA-N 0 0 429.498 2.506 50 0 IFAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(-n2cncn2)cc1 ZINC000012599138 525267889 /nfs/dbraw/zinc/26/78/89/525267889.db2.gz LGIBRBFWJYZQRQ-NVXWUHKLSA-N 0 0 445.570 2.607 50 0 IFAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 ZINC000012547777 525283886 /nfs/dbraw/zinc/28/38/86/525283886.db2.gz FTFYSZRXZOVCDD-UPCLLVRISA-N 0 0 447.495 2.525 50 0 IFAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000012592936 525316984 /nfs/dbraw/zinc/31/69/84/525316984.db2.gz TXZCRROSTFUWHI-LJQANCHMSA-N 0 0 448.266 2.569 50 0 IFAARN C[C@@H](NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)c1ccc(F)cc1 ZINC000012570876 525331552 /nfs/dbraw/zinc/33/15/52/525331552.db2.gz MQHMNZKWCZEUAU-MRXNPFEDSA-N 0 0 449.548 2.966 50 0 IFAARN Cc1ccccc1S(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c1 ZINC000021710624 525334277 /nfs/dbraw/zinc/33/42/77/525334277.db2.gz NBIIOEFIJSBZHK-SFHVURJKSA-N 0 0 441.553 2.927 50 0 IFAARN COc1ccc([C@H](CC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)NC(C)=O)cc1 ZINC000012817224 525342927 /nfs/dbraw/zinc/34/29/27/525342927.db2.gz GNPLXZVMKYGCMI-NRFANRHFSA-N 0 0 439.512 2.845 50 0 IFAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCOCC1)C2=O ZINC000012522359 525356452 /nfs/dbraw/zinc/35/64/52/525356452.db2.gz ZYOVSNUSTOTFLU-HJPURHCSSA-N 0 0 428.533 2.599 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C ZINC000018668173 525441922 /nfs/dbraw/zinc/44/19/22/525441922.db2.gz CJBLKADRYPFCAN-KBPBESRZSA-N 0 0 432.571 2.946 50 0 IFAARN COc1ccc2[nH]c(C(=O)N3CCN(C(=O)Cc4ccc(OC)c(OC)c4)CC3)cc2c1 ZINC000035562171 525479507 /nfs/dbraw/zinc/47/95/07/525479507.db2.gz OTCNFSAYNGJHNP-UHFFFAOYSA-N 0 0 437.496 2.721 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(S(=O)(=O)c2ccc(C)cc2)C(=O)[C@]31C ZINC000012864354 525483219 /nfs/dbraw/zinc/48/32/19/525483219.db2.gz XVOUSPNZQYMUCX-QFIPXVFZSA-N 0 0 439.493 2.909 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012622091 525493078 /nfs/dbraw/zinc/49/30/78/525493078.db2.gz ZFYYURFDNHQWDQ-UHFFFAOYSA-N 0 0 434.558 2.943 50 0 IFAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(CC(=O)Nc4cccc(F)c4)CC3)c2c1 ZINC000020725935 525494868 /nfs/dbraw/zinc/49/48/68/525494868.db2.gz CJHMINKXTCBRRJ-JOCHJYFZSA-N 0 0 440.475 2.698 50 0 IFAARN COc1ccc2c(C)c(CCC(=O)N3CCN(CCc4ccncc4)CC3)c(=O)oc2c1 ZINC000020592226 525497693 /nfs/dbraw/zinc/49/76/93/525497693.db2.gz MSAQKQGYJVFHAF-UHFFFAOYSA-N 0 0 435.524 2.825 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCCCCC1 ZINC000012565141 525505618 /nfs/dbraw/zinc/50/56/18/525505618.db2.gz JTZGXNIDEZMAMC-LBPRGKRZSA-N 0 0 437.345 2.606 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2n1C(F)F ZINC000012520030 525508638 /nfs/dbraw/zinc/50/86/38/525508638.db2.gz QOHVAAORUMCCEH-NSHDSACASA-N 0 0 429.470 2.874 50 0 IFAARN Cc1cccnc1CN1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)CC1 ZINC000020451710 525513566 /nfs/dbraw/zinc/51/35/66/525513566.db2.gz WBANLORRPVGDJX-UHFFFAOYSA-N 0 0 427.892 2.963 50 0 IFAARN CSCC[C@@H](C(=O)O[C@H](C)C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000012813842 525520426 /nfs/dbraw/zinc/52/04/26/525520426.db2.gz CLDXTHJTSQRUTP-KDOFPFPSSA-N 0 0 432.542 2.785 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)NC3CCCCCC3)ccc2N1C(=O)C1CC1 ZINC000020516880 525522889 /nfs/dbraw/zinc/52/28/89/525522889.db2.gz GXGMSQIBTDLJEX-MRXNPFEDSA-N 0 0 447.601 2.834 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000012888697 525524591 /nfs/dbraw/zinc/52/45/91/525524591.db2.gz DTQWADABGGLGMS-UHFFFAOYSA-N 0 0 433.505 2.629 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000012802159 525524861 /nfs/dbraw/zinc/52/48/61/525524861.db2.gz JPBQDXUTWLLJQL-UHFFFAOYSA-N 0 0 429.542 2.765 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000012788814 525528767 /nfs/dbraw/zinc/52/87/67/525528767.db2.gz XYUVLOFRQKPPJV-VQTJNVASSA-N 0 0 429.586 2.957 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)COc3ccc4c(c3)CCC4)CC2)cc1 ZINC000012567733 525529359 /nfs/dbraw/zinc/52/93/59/525529359.db2.gz WBJFOVFXDXKZHF-UHFFFAOYSA-N 0 0 428.554 2.786 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000035400024 525530020 /nfs/dbraw/zinc/53/00/20/525530020.db2.gz LSWIWYBLZFPMBE-KRWDZBQOSA-N 0 0 426.542 2.689 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCn3cnc4ccccc43)CC2)cc1 ZINC000012554657 525530227 /nfs/dbraw/zinc/53/02/27/525530227.db2.gz ARPBDWRZCMGMCH-UHFFFAOYSA-N 0 0 426.542 2.658 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000012918376 525530237 /nfs/dbraw/zinc/53/02/37/525530237.db2.gz GKCWUCOXOGNSJQ-LJQANCHMSA-N 0 0 438.977 2.785 50 0 IFAARN COc1ccc2c(c1)CCc1c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)[nH]nc1-2 ZINC000021018389 525535278 /nfs/dbraw/zinc/53/52/78/525535278.db2.gz IDWCKCFJBYWZMW-UHFFFAOYSA-N 0 0 446.507 2.871 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)c(C)c1 ZINC000012559463 525541886 /nfs/dbraw/zinc/54/18/86/525541886.db2.gz GUAJXWVMKAVXQI-UHFFFAOYSA-N 0 0 442.516 2.979 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NC[C@@H]1CCCO1)C2 ZINC000035911108 525550468 /nfs/dbraw/zinc/55/04/68/525550468.db2.gz UYYVUGCEDNFQSZ-WMTXJRDZSA-N 0 0 439.531 2.997 50 0 IFAARN CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccn1 ZINC000016050594 525555017 /nfs/dbraw/zinc/55/50/17/525555017.db2.gz GZRNJOLPJAQYIO-OAQYLSRUSA-N 0 0 443.594 2.994 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012781164 525583404 /nfs/dbraw/zinc/58/34/04/525583404.db2.gz UJTHHYBOPRSIFI-RCRSHMOFSA-N 0 0 448.585 2.679 50 0 IFAARN CSCC[C@H](NC(=O)CSc1nc2ccccc2c(=O)[nH]1)c1nnc2ccccn21 ZINC000020722030 525587606 /nfs/dbraw/zinc/58/76/06/525587606.db2.gz SGLUXQHXILKPDT-HNNXBMFYSA-N 0 0 440.554 2.669 50 0 IFAARN Cc1c(C(=O)NCCCN2CCCC2=O)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012132481 525610729 /nfs/dbraw/zinc/61/07/29/525610729.db2.gz JENNLRRJWBXODE-UHFFFAOYSA-N 0 0 444.539 2.869 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCCC3=O)c2)cc1F ZINC000012526230 525611380 /nfs/dbraw/zinc/61/13/80/525611380.db2.gz GPKZBGZLMSLPID-UHFFFAOYSA-N 0 0 433.505 2.677 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@H](C(=O)NC4CC4)C3)c2)cc1 ZINC000021710591 525611652 /nfs/dbraw/zinc/61/16/52/525611652.db2.gz LOWAJTCBAHTTAI-SFHVURJKSA-N 0 0 441.553 2.927 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Cl)O[C@@H](C)C(=O)N2 ZINC000035452893 525613594 /nfs/dbraw/zinc/61/35/94/525613594.db2.gz CXLFRMMWVDOKMA-LBPRGKRZSA-N 0 0 437.905 2.627 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)NCc1ccccc1Cl ZINC000012661874 525614685 /nfs/dbraw/zinc/61/46/85/525614685.db2.gz ITIKCEQVKLXGJD-YCRPNKLZSA-N 0 0 444.871 2.834 50 0 IFAARN Cc1ccc(SCCNC(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)cc1 ZINC000023328899 525657356 /nfs/dbraw/zinc/65/73/56/525657356.db2.gz BVPXYSXIBWVBNG-UHFFFAOYSA-N 0 0 425.601 2.641 50 0 IFAARN Cc1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1)N(c1ccc3c(c1)OCCO3)C2=O ZINC000035477355 525664143 /nfs/dbraw/zinc/66/41/43/525664143.db2.gz ZRICIDBSCNRBSO-XMMPIXPASA-N 0 0 432.480 2.698 50 0 IFAARN Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)NCCOc3ccccc3)cc2)n1C ZINC000012372075 525670995 /nfs/dbraw/zinc/67/09/95/525670995.db2.gz SQYWMHPZMHDCHP-UHFFFAOYSA-N 0 0 429.542 2.965 50 0 IFAARN Cc1cc2nc(CSc3nc(-c4ccccc4Cl)nc4cc(=O)[nH]n43)cc(=O)n2o1 ZINC000021537205 525675186 /nfs/dbraw/zinc/67/51/86/525675186.db2.gz GGBIVLRYDOFKHZ-UHFFFAOYSA-N 0 0 440.872 2.940 50 0 IFAARN Cc1c(C)n(-c2ccc(Br)cn2)c2ncnc(NCCN3CCOCC3)c12 ZINC000020624280 525676661 /nfs/dbraw/zinc/67/66/61/525676661.db2.gz MBYGFJFZHKTHAS-UHFFFAOYSA-N 0 0 431.338 2.939 50 0 IFAARN COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)c(C)c2c1 ZINC000012917228 525684710 /nfs/dbraw/zinc/68/47/10/525684710.db2.gz PHVFTMJZEPBOQA-UHFFFAOYSA-N 0 0 446.481 2.796 50 0 IFAARN COc1cccc(-c2nc(CS[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)c1 ZINC000012931307 525724141 /nfs/dbraw/zinc/72/41/41/525724141.db2.gz QGIBWIIWVOGAOF-TZMCWYRMSA-N 0 0 426.585 2.744 50 0 IFAARN COc1cccc(-c2nnc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)o2)c1 ZINC000016960585 525730807 /nfs/dbraw/zinc/73/08/07/525730807.db2.gz ABQYIGWGBLNZRR-HNNXBMFYSA-N 0 0 448.526 2.989 50 0 IFAARN Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000021785710 525743025 /nfs/dbraw/zinc/74/30/25/525743025.db2.gz WSERBLBFZYXNBK-SFHVURJKSA-N 0 0 429.498 2.708 50 0 IFAARN COc1cccc(-n2cc(CN(C)Cc3cnc(S(C)(=O)=O)n3CC(C)C)cn2)c1 ZINC000012205147 525751168 /nfs/dbraw/zinc/75/11/68/525751168.db2.gz NNMZVAJBNTVYAD-UHFFFAOYSA-N 0 0 431.562 2.769 50 0 IFAARN COc1cccc(C(=O)Cn2cnc3c2c(=O)n(CC2CC2)c(=O)n3-c2ccccc2)c1 ZINC000035882521 525787044 /nfs/dbraw/zinc/78/70/44/525787044.db2.gz VRUKMRKPZAYILJ-UHFFFAOYSA-N 0 0 430.464 2.650 50 0 IFAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCN1CCOCC1 ZINC000021857224 525790782 /nfs/dbraw/zinc/79/07/82/525790782.db2.gz NBUNJMVWSXPFNI-VWLOTQADSA-N 0 0 438.572 2.637 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)Sc2nnnn2C2CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000012677258 525854217 /nfs/dbraw/zinc/85/42/17/525854217.db2.gz UIYMBKWWEJKQIX-CQSZACIVSA-N 0 0 427.534 2.705 50 0 IFAARN C[C@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012555928 525878980 /nfs/dbraw/zinc/87/89/80/525878980.db2.gz VEVZSWDOOJREDX-KRWDZBQOSA-N 0 0 445.560 2.678 50 0 IFAARN C[C@@H](OC(=O)CCSc1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012794251 525888186 /nfs/dbraw/zinc/88/81/86/525888186.db2.gz RQHUWHYBCOIQPQ-GFCCVEGCSA-N 0 0 426.491 2.526 50 0 IFAARN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(C)c1ccccc1 ZINC000015940837 525889831 /nfs/dbraw/zinc/88/98/31/525889831.db2.gz IUGURFJSCJHJMW-MRXNPFEDSA-N 0 0 426.494 2.713 50 0 IFAARN Cc1ccc([C@H](C)NC(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1C ZINC000022916794 525890225 /nfs/dbraw/zinc/89/02/25/525890225.db2.gz ZXZXWRFHNPOLIX-JQVVWYNYSA-N 0 0 428.621 2.603 50 0 IFAARN C[C@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)N1CCCc2ccccc21 ZINC000021833303 525892148 /nfs/dbraw/zinc/89/21/48/525892148.db2.gz XLNXUZOFJJEFRM-INIZCTEOSA-N 0 0 428.510 2.751 50 0 IFAARN Cc1cn([C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](COC(=O)c3ccccc3)O2)c(=O)nc1N ZINC000015107669 525911847 /nfs/dbraw/zinc/91/18/47/525911847.db2.gz NCTJUBXGPJXNME-XUVXKRRUSA-N 0 0 449.463 2.504 50 0 IFAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CS2 ZINC000023078587 525913078 /nfs/dbraw/zinc/91/30/78/525913078.db2.gz BQPONQOFTKTVRG-MAUKXSAKSA-N 0 0 429.464 2.935 50 0 IFAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)Nc2ccc4c(c2)OCO4)nc3C)c(C)c1 ZINC000012228682 525934952 /nfs/dbraw/zinc/93/49/52/525934952.db2.gz RUECNHGMIOEPQS-UHFFFAOYSA-N 0 0 431.452 2.875 50 0 IFAARN COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCn2ccc3ccccc32)c1 ZINC000012448577 525948622 /nfs/dbraw/zinc/94/86/22/525948622.db2.gz CTWOABKMSYTWRL-QHCPKHFHSA-N 0 0 434.540 2.547 50 0 IFAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1-c1nc(-c2ccncc2)no1 ZINC000035503850 525961252 /nfs/dbraw/zinc/96/12/52/525961252.db2.gz CVUCWMXLTPONJU-UHFFFAOYSA-N 0 0 426.454 2.874 50 0 IFAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCN(CCO)CC1)oc1c3CCCC1 ZINC000020622286 525963983 /nfs/dbraw/zinc/96/39/83/525963983.db2.gz SFVDJUDQRABYIS-UHFFFAOYSA-N 0 0 438.524 2.796 50 0 IFAARN COc1cccc(CNC(=O)Cn2c3ccccc3nc(N3CCCCC3)c2=O)c1OC ZINC000021657639 525976913 /nfs/dbraw/zinc/97/69/13/525976913.db2.gz RBFANBWQYIAWNN-UHFFFAOYSA-N 0 0 436.512 2.720 50 0 IFAARN COc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000012870665 525983387 /nfs/dbraw/zinc/98/33/87/525983387.db2.gz CBPVVZZXBRBHJH-UHFFFAOYSA-N 0 0 429.951 2.626 50 0 IFAARN Cc1cnc(C)c(N2CCN(C(=O)c3cn(Cc4cccc5ccccc54)nn3)CC2)n1 ZINC000012432013 525983807 /nfs/dbraw/zinc/98/38/07/525983807.db2.gz KIPQHQQLPJEGCW-UHFFFAOYSA-N 0 0 427.512 2.849 50 0 IFAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)NC(=O)NC(C)(C)C ZINC000012553555 525988530 /nfs/dbraw/zinc/98/85/30/525988530.db2.gz COXIGFYHUBQIDA-CQSZACIVSA-N 0 0 442.607 2.751 50 0 IFAARN Cc1c2oc3c(c2cc2c(C)c(CC(=O)N4CCN(CCO)CC4)c(=O)oc12)CCCC3 ZINC000020648672 525997611 /nfs/dbraw/zinc/99/76/11/525997611.db2.gz SDOBTWKAYJKZPO-UHFFFAOYSA-N 0 0 438.524 2.714 50 0 IFAARN C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000012791567 526006222 /nfs/dbraw/zinc/00/62/22/526006222.db2.gz MCQPKOPPHLQIDX-RBSFLKMASA-N 0 0 434.027 2.601 50 0 IFAARN C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000012267654 526006586 /nfs/dbraw/zinc/00/65/86/526006586.db2.gz YXXNGAWPVFLLMH-LLVKDONJSA-N 0 0 435.431 2.920 50 0 IFAARN C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012630841 526014555 /nfs/dbraw/zinc/01/45/55/526014555.db2.gz ADAQHFLLUAFEGA-FZMZJTMJSA-N 0 0 442.588 2.864 50 0 IFAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCN(C=O)CC4)c3C3CC3)n2)c(C)s1 ZINC000012279207 526042991 /nfs/dbraw/zinc/04/29/91/526042991.db2.gz OUHXTAIKMYQWPW-UHFFFAOYSA-N 0 0 436.541 2.799 50 0 IFAARN Cc1cc(-c2nnc(CN(C)Cc3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)o2)c(C)o1 ZINC000012786290 526058719 /nfs/dbraw/zinc/05/87/19/526058719.db2.gz LKVJYQRNWQDEPA-INIZCTEOSA-N 0 0 433.534 2.751 50 0 IFAARN COc1cccc(C[C@@]2(CCC(=O)NCCc3cn4ccsc4n3)CCC(=O)N2)c1 ZINC000012240179 526074192 /nfs/dbraw/zinc/07/41/92/526074192.db2.gz PTPBZOQENHUMMR-JOCHJYFZSA-N 0 0 426.542 2.735 50 0 IFAARN C[C@H](C(=O)NCc1ccccc1)N1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2C ZINC000034792943 526083044 /nfs/dbraw/zinc/08/30/44/526083044.db2.gz YKFPNHYRHSHONW-JLTOFOAXSA-N 0 0 438.915 2.837 50 0 IFAARN C[C@H](c1ccccc1)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000018125009 526086569 /nfs/dbraw/zinc/08/65/69/526086569.db2.gz YUVYBXPTYUNMRO-MRXNPFEDSA-N 0 0 428.558 2.976 50 0 IFAARN CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 ZINC000020487070 526111794 /nfs/dbraw/zinc/11/17/94/526111794.db2.gz XHCLVQLEMNZASK-UHFFFAOYSA-N 0 0 447.582 2.922 50 0 IFAARN COc1cccc(F)c1-c1nc(C)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)s1 ZINC000012391222 526114651 /nfs/dbraw/zinc/11/46/51/526114651.db2.gz BQNYJHRFXMIYLX-UHFFFAOYSA-N 0 0 435.502 2.844 50 0 IFAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)NC[C@@H]3CCCO3)c2n1 ZINC000020579689 526115991 /nfs/dbraw/zinc/11/59/91/526115991.db2.gz FCQYKWDAJJVRHT-KRWDZBQOSA-N 0 0 439.899 2.885 50 0 IFAARN Cc1ccc2c(C)c(CCC(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)c(=O)oc2c1 ZINC000012870109 526118738 /nfs/dbraw/zinc/11/87/38/526118738.db2.gz VEPNCCSVTGANNC-OAHLLOKOSA-N 0 0 428.510 2.867 50 0 IFAARN Cc1cc(=O)n2nc(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)sc2n1 ZINC000021577855 526142335 /nfs/dbraw/zinc/14/23/35/526142335.db2.gz RZTHSPWPKZSQHB-UHFFFAOYSA-N 0 0 444.870 2.849 50 0 IFAARN COc1cccc(N2CCN(C(=O)CCn3cnc4c5ccccc5[nH]c4c3=O)CC2)c1 ZINC000035423912 526146694 /nfs/dbraw/zinc/14/66/94/526146694.db2.gz BAAFPMOIYLNHJF-UHFFFAOYSA-N 0 0 431.496 2.625 50 0 IFAARN Cc1cc(=O)oc2cc(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(Cl)cc12 ZINC000012890464 526148513 /nfs/dbraw/zinc/14/85/13/526148513.db2.gz KHMHKCOWJSAGRF-CABCVRRESA-N 0 0 440.883 2.941 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3C)CC2)c1 ZINC000033086392 526155948 /nfs/dbraw/zinc/15/59/48/526155948.db2.gz QPJWQMBBWIKHDU-UHFFFAOYSA-N 0 0 428.514 2.873 50 0 IFAARN CSc1ccccc1N1C(=O)CN(C(=O)Cc2ccc(N3CCNC3=O)cc2)C[C@@H]1C ZINC000012204990 526163946 /nfs/dbraw/zinc/16/39/46/526163946.db2.gz QKKCQLCMFVVTAL-INIZCTEOSA-N 0 0 438.553 2.745 50 0 IFAARN C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000012525297 526166886 /nfs/dbraw/zinc/16/68/86/526166886.db2.gz CLLRCOYOLBPFFJ-CQSZACIVSA-N 0 0 435.509 2.785 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000015619369 526168979 /nfs/dbraw/zinc/16/89/79/526168979.db2.gz JGQDFOSOAROZCK-UHFFFAOYSA-N 0 0 425.304 2.530 50 0 IFAARN C[C@@H](c1nnc(SCC(=O)NCc2ccccc2)n1C)N1C(=O)COc2ccccc21 ZINC000015019107 526183946 /nfs/dbraw/zinc/18/39/46/526183946.db2.gz GYPCIHCNNYCIMK-HNNXBMFYSA-N 0 0 437.525 2.710 50 0 IFAARN Cc1cc(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)s1 ZINC000015432345 526201041 /nfs/dbraw/zinc/20/10/41/526201041.db2.gz MWZJQTKCJKOBAD-UHFFFAOYSA-N 0 0 436.555 2.987 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)N[C@H](c3nccn3C)c3cccc(F)c3)c(C)n2n1 ZINC000012547768 526217399 /nfs/dbraw/zinc/21/73/99/526217399.db2.gz UCTXUBIACSGXNP-SFHVURJKSA-N 0 0 439.520 2.784 50 0 IFAARN COc1cccc(OC[C@@H](O)CNC(=O)c2cc(COc3ccc(F)c(F)c3)on2)c1 ZINC000014954954 526234355 /nfs/dbraw/zinc/23/43/55/526234355.db2.gz FLWQNPDEUWRHLK-ZDUSSCGKSA-N 0 0 434.395 2.710 50 0 IFAARN C[C@H](CC(=O)NCc1cccs1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995649 526243252 /nfs/dbraw/zinc/24/32/52/526243252.db2.gz QNMDGJTZUDAJSO-CQSZACIVSA-N 0 0 432.567 2.916 50 0 IFAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1Cc1ccco1 ZINC000012806212 526253526 /nfs/dbraw/zinc/25/35/26/526253526.db2.gz FALDCZAYULSZMY-UHFFFAOYSA-N 0 0 427.526 2.893 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012773382 526269749 /nfs/dbraw/zinc/26/97/49/526269749.db2.gz BSSNTELQNHTXGE-UHFFFAOYSA-N 0 0 446.617 2.976 50 0 IFAARN O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012894963 526279313 /nfs/dbraw/zinc/27/93/13/526279313.db2.gz QHLGNAOGFXQREQ-UHFFFAOYSA-N 0 0 436.892 2.788 50 0 IFAARN Cc1nn(CCCC(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2cc3occc3n21 ZINC000020866293 526279565 /nfs/dbraw/zinc/27/95/65/526279565.db2.gz HGAKSNBNUCLCJY-UHFFFAOYSA-N 0 0 433.512 2.675 50 0 IFAARN Cc1nn(CN2CCN(Cc3cccs3)CC2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000022797673 526283106 /nfs/dbraw/zinc/28/31/06/526283106.db2.gz QPPVODRUYRZEIB-UHFFFAOYSA-N 0 0 437.635 2.511 50 0 IFAARN O=C(C1CCC1)N1CCC2(CC1)N[C@H](Cc1ccccc1)C(=O)N2CCc1ccccn1 ZINC000036026353 526292908 /nfs/dbraw/zinc/29/29/08/526292908.db2.gz TURLVKIIMLCPCA-HSZRJFAPSA-N 0 0 432.568 2.786 50 0 IFAARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000012376823 526345110 /nfs/dbraw/zinc/34/51/10/526345110.db2.gz GZOOGPLRKFPATG-UHFFFAOYSA-N 0 0 445.541 2.759 50 0 IFAARN O=C(CC1CCC1)Nc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000012375895 526351916 /nfs/dbraw/zinc/35/19/16/526351916.db2.gz AWHPSZDFYISJJD-UHFFFAOYSA-N 0 0 441.553 2.962 50 0 IFAARN Fc1ccc(N2CCN(Cc3cccn3-c3nnc(N4CCOCC4)s3)CC2)cc1 ZINC000020942908 526352981 /nfs/dbraw/zinc/35/29/81/526352981.db2.gz ANKINGMIXAQPKW-UHFFFAOYSA-N 0 0 428.537 2.627 50 0 IFAARN Cc1csc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)n1 ZINC000021482817 526354268 /nfs/dbraw/zinc/35/42/68/526354268.db2.gz UNFSTXMENVBNKG-UHFFFAOYSA-N 0 0 431.495 2.911 50 0 IFAARN O=C(CC1CCCCC1)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000035376528 526359519 /nfs/dbraw/zinc/35/95/19/526359519.db2.gz PQSSXKRYZAHURM-UHFFFAOYSA-N 0 0 429.536 2.958 50 0 IFAARN Cc1nnc(NC(=O)c2cn(C[C@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)s1 ZINC000009663725 526368457 /nfs/dbraw/zinc/36/84/57/526368457.db2.gz YOUHWYCAKXXHPY-OAHLLOKOSA-N 0 0 436.497 2.730 50 0 IFAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1 ZINC000012855071 526379068 /nfs/dbraw/zinc/37/90/68/526379068.db2.gz FWEGZPSZYGLHMK-UHFFFAOYSA-N 0 0 435.933 2.592 50 0 IFAARN O=C(CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCCCC3)ccc21)N1CCCC1 ZINC000035449017 526382398 /nfs/dbraw/zinc/38/23/98/526382398.db2.gz VVWOQRKQYZDXIY-UHFFFAOYSA-N 0 0 447.601 2.979 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012783645 526403185 /nfs/dbraw/zinc/40/31/85/526403185.db2.gz OJGIKMSPTBINKE-UHFFFAOYSA-N 0 0 425.913 2.738 50 0 IFAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000001059475 526469515 /nfs/dbraw/zinc/46/95/15/526469515.db2.gz QQXUXJPOZYBWBX-GOSISDBHSA-N 0 0 431.533 2.575 50 0 IFAARN O=C(NCCn1ncc2c1ncn(Cc1ccc(F)cc1)c2=O)c1cccc(Cl)c1 ZINC000012071702 526478489 /nfs/dbraw/zinc/47/84/89/526478489.db2.gz FDMQQLLGYQUWPK-UHFFFAOYSA-N 0 0 425.851 2.864 50 0 IFAARN O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000078664225 526489215 /nfs/dbraw/zinc/48/92/15/526489215.db2.gz HUURAYOCQSLEQO-HUUCEWRRSA-N 0 0 448.488 2.770 50 0 IFAARN O=C([C@@H]1COc2ccccc2O1)N(CCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022998313 526495505 /nfs/dbraw/zinc/49/55/05/526495505.db2.gz NGOBXXKLYIJJAT-SFHVURJKSA-N 0 0 443.500 2.941 50 0 IFAARN O=C([C@@H]1Cc2ccccc2O1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000012932869 526516799 /nfs/dbraw/zinc/51/67/99/526516799.db2.gz LLXBZEAZVMPUPY-FQEVSTJZSA-N 0 0 436.899 2.538 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1cccnc1N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000022658473 526521802 /nfs/dbraw/zinc/52/18/02/526521802.db2.gz SZGREVVZWFVVCB-INIZCTEOSA-N 0 0 446.910 2.745 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000021600808 526521859 /nfs/dbraw/zinc/52/18/59/526521859.db2.gz GSFWPNZSIUACGQ-HOTGVXAUSA-N 0 0 425.460 2.726 50 0 IFAARN O=C(CCOc1ccccc1)N1CCC2(C[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000012206741 526531340 /nfs/dbraw/zinc/53/13/40/526531340.db2.gz HYPCOASUQUVISG-JOCHJYFZSA-N 0 0 448.567 2.828 50 0 IFAARN O=C([C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000021940530 526532108 /nfs/dbraw/zinc/53/21/08/526532108.db2.gz GYYFCGBIZIOUIR-OAQYLSRUSA-N 0 0 426.538 2.848 50 0 IFAARN O=C([C@H]1CCCO1)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1 ZINC000020778922 526541848 /nfs/dbraw/zinc/54/18/48/526541848.db2.gz LKFAQVXOZPGDPZ-HSZRJFAPSA-N 0 0 425.529 2.500 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000042380074 526549344 /nfs/dbraw/zinc/54/93/44/526549344.db2.gz STNKAYHZSMJXJS-CQSZACIVSA-N 0 0 432.458 2.638 50 0 IFAARN O=C([C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252383380 526553087 /nfs/dbraw/zinc/55/30/87/526553087.db2.gz RDMNATBELOOMFB-MXBUBSDBSA-N 0 0 434.602 2.925 50 0 IFAARN O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000021873121 526556385 /nfs/dbraw/zinc/55/63/85/526556385.db2.gz CDZWOCBFKHTUMS-MRXNPFEDSA-N 0 0 444.534 2.796 50 0 IFAARN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012783383 526559194 /nfs/dbraw/zinc/55/91/94/526559194.db2.gz BPEFGSDAHBUMDN-OAHLLOKOSA-N 0 0 438.908 2.563 50 0 IFAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000032980844 526559824 /nfs/dbraw/zinc/55/98/24/526559824.db2.gz SKYJKZISOACTGD-UHFFFAOYSA-N 0 0 440.525 2.573 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)N4CCCCC4)CC3)c(C)s2)no1 ZINC000035426037 526561145 /nfs/dbraw/zinc/56/11/45/526561145.db2.gz QBWKJAYJZRLBQB-UHFFFAOYSA-N 0 0 438.575 2.828 50 0 IFAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCC4)C3)c2)no1 ZINC000021717985 526566187 /nfs/dbraw/zinc/56/61/87/526566187.db2.gz YTKIHHRXQSXBNQ-QGZVFWFLSA-N 0 0 432.546 2.813 50 0 IFAARN O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NC[C@H]1CCc2ccccc2O1 ZINC000011882094 526576604 /nfs/dbraw/zinc/57/66/04/526576604.db2.gz BGJMUVUEOOGPKS-KBMIEXCESA-N 0 0 436.508 2.897 50 0 IFAARN O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000078664220 526576698 /nfs/dbraw/zinc/57/66/98/526576698.db2.gz HUURAYOCQSLEQO-GJZGRUSLSA-N 0 0 448.488 2.770 50 0 IFAARN O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000015859645 526578807 /nfs/dbraw/zinc/57/88/07/526578807.db2.gz JDDGDRPLPGGULX-HXUWFJFHSA-N 0 0 435.480 2.916 50 0 IFAARN O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000022784753 526581161 /nfs/dbraw/zinc/58/11/61/526581161.db2.gz UKUDJBGHTLCBRZ-WMZHIEFXSA-N 0 0 437.565 2.897 50 0 IFAARN O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cccc(I)c1 ZINC000012758010 526621288 /nfs/dbraw/zinc/62/12/88/526621288.db2.gz GBDKCJHAROARKR-SFHVURJKSA-N 0 0 436.293 2.922 50 0 IFAARN O=C(CCc1cnccn1)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000020539633 526638807 /nfs/dbraw/zinc/63/88/07/526638807.db2.gz DYLWYXUYHXJMBB-HSZRJFAPSA-N 0 0 449.599 2.772 50 0 IFAARN O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012567361 526652893 /nfs/dbraw/zinc/65/28/93/526652893.db2.gz YSPQYNBWADNOPD-UHFFFAOYSA-N 0 0 433.537 2.810 50 0 IFAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000012376824 526653574 /nfs/dbraw/zinc/65/35/74/526653574.db2.gz WJCKJEOBRBPILE-UHFFFAOYSA-N 0 0 425.388 2.992 50 0 IFAARN O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012301551 526656628 /nfs/dbraw/zinc/65/66/28/526656628.db2.gz XNCHJZUZKMOMCV-HXUWFJFHSA-N 0 0 438.553 2.844 50 0 IFAARN O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012301548 526656931 /nfs/dbraw/zinc/65/69/31/526656931.db2.gz XNCHJZUZKMOMCV-FQEVSTJZSA-N 0 0 438.553 2.844 50 0 IFAARN O=C(CCc1nnc2ccc(N3CCCCC3)nn21)N1CCN(c2ccc(F)cc2)CC1 ZINC000020923664 526666098 /nfs/dbraw/zinc/66/60/98/526666098.db2.gz HADPJTALLLILGH-UHFFFAOYSA-N 0 0 437.523 2.535 50 0 IFAARN O=C(c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)N1CCN(c2ccccn2)CC1 ZINC000012195020 526672406 /nfs/dbraw/zinc/67/24/06/526672406.db2.gz XPFARMJEDZEPFX-UHFFFAOYSA-N 0 0 434.949 2.627 50 0 IFAARN O=C(NCc1ccc(NC(=O)C2CC2)cc1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000022357827 526683245 /nfs/dbraw/zinc/68/32/45/526683245.db2.gz FXRTZSAMZRGLRZ-LJQANCHMSA-N 0 0 428.558 2.969 50 0 IFAARN O=C(c1ccc(F)cc1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000015972761 526689742 /nfs/dbraw/zinc/68/97/42/526689742.db2.gz HXBDOAXXVDIWOF-UHFFFAOYSA-N 0 0 426.517 2.961 50 0 IFAARN O=C1N[C@H](c2ccc3c(c2)OCO3)C(=C(O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000035092953 526690849 /nfs/dbraw/zinc/69/08/49/526690849.db2.gz DDDPLLOHRYKKSO-HDMKZQKVSA-N 0 0 426.322 2.658 50 0 IFAARN O=C(CCn1nnc2cc(-c3noc(C4(c5ccccc5)CC4)n3)ccc21)N1CCOCC1 ZINC000035527437 526691105 /nfs/dbraw/zinc/69/11/05/526691105.db2.gz IYKZUQMTTOWUIX-UHFFFAOYSA-N 0 0 444.495 2.810 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000065031860 526693058 /nfs/dbraw/zinc/69/30/58/526693058.db2.gz HSNFNJJHBCSFSD-MRXNPFEDSA-N 0 0 447.582 2.592 50 0 IFAARN O=C(CN(C1=N[C@H]2CS(=O)(=O)C[C@H]2S1)c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000020867318 526693476 /nfs/dbraw/zinc/69/34/76/526693476.db2.gz SMYQJLGKIXVIQQ-DLBZAZTESA-N 0 0 437.493 2.678 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907325 526697775 /nfs/dbraw/zinc/69/77/75/526697775.db2.gz JEPSNODYKJPTPN-HXUWFJFHSA-N 0 0 447.491 2.540 50 0 IFAARN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCCn1ccnc1 ZINC000009668791 526704221 /nfs/dbraw/zinc/70/42/21/526704221.db2.gz DOQHREDVKYWOHQ-UHFFFAOYSA-N 0 0 432.933 2.938 50 0 IFAARN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000022372854 526707715 /nfs/dbraw/zinc/70/77/15/526707715.db2.gz CSJRNDCUEKQJAO-HXUWFJFHSA-N 0 0 448.516 2.530 50 0 IFAARN Cc1nc(C)c(CCC(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c(=O)[nH]1 ZINC000012773000 526710609 /nfs/dbraw/zinc/71/06/09/526710609.db2.gz YYFSSBHPDHJYSI-UHFFFAOYSA-N 0 0 433.534 2.708 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000095369482 526716886 /nfs/dbraw/zinc/71/68/86/526716886.db2.gz KKDMISMDIBDVSH-JCGIZDLHSA-N 0 0 448.361 2.567 50 0 IFAARN O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CO2)N1CCN(c2ncccn2)CC1 ZINC000035377627 526723291 /nfs/dbraw/zinc/72/32/91/526723291.db2.gz GOQDIDFQFODERQ-UHFFFAOYSA-N 0 0 447.470 2.504 50 0 IFAARN O=C(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000016091096 526728013 /nfs/dbraw/zinc/72/80/13/526728013.db2.gz YTPYZKWTBKOUAU-UHFFFAOYSA-N 0 0 438.505 2.758 50 0 IFAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012762060 526747473 /nfs/dbraw/zinc/74/74/73/526747473.db2.gz NSMAPVIDERDUFQ-KRWDZBQOSA-N 0 0 436.917 2.581 50 0 IFAARN Cc1oc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000040131534 526758514 /nfs/dbraw/zinc/75/85/14/526758514.db2.gz CUMHJXQFSSLVTF-UHFFFAOYSA-N 0 0 445.541 2.863 50 0 IFAARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000012781322 526760132 /nfs/dbraw/zinc/76/01/32/526760132.db2.gz BVTIUGLMNFOPNK-UHFFFAOYSA-N 0 0 429.325 2.944 50 0 IFAARN O=C(CN1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1)NCc1ccccc1 ZINC000022285691 526761017 /nfs/dbraw/zinc/76/10/17/526761017.db2.gz VNEUQDQJLHLBJY-UHFFFAOYSA-N 0 0 436.339 2.833 50 0 IFAARN O=C(CN1CCN(C(=O)CSc2nc3ccccc3s2)CC1)NCc1ccccc1 ZINC000022599315 526762706 /nfs/dbraw/zinc/76/27/06/526762706.db2.gz WGKNWRYHWJOMDC-UHFFFAOYSA-N 0 0 440.594 2.849 50 0 IFAARN O=C(c1cccc(I)c1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000022476448 526768387 /nfs/dbraw/zinc/76/83/87/526768387.db2.gz ZCDYVADRFGAZQS-UHFFFAOYSA-N 0 0 427.286 2.655 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000012693212 526776059 /nfs/dbraw/zinc/77/60/59/526776059.db2.gz ZTNPIDQXGNHATC-JXMROGBWSA-N 0 0 439.581 2.942 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccnn1C1CCCC1 ZINC000035388108 526778241 /nfs/dbraw/zinc/77/82/41/526778241.db2.gz DRILFDOKYIWJHE-GZTJUZNOSA-N 0 0 443.573 2.555 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccc(Cl)cc1 ZINC000012887603 526779384 /nfs/dbraw/zinc/77/93/84/526779384.db2.gz GQOYTKCRNMDXPK-UHFFFAOYSA-N 0 0 433.961 2.774 50 0 IFAARN O=C(c1cccc2cn[nH]c21)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012795174 526786920 /nfs/dbraw/zinc/78/69/20/526786920.db2.gz SMTXYRRSBWCHAY-UHFFFAOYSA-N 0 0 438.431 2.728 50 0 IFAARN O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000015047913 526817565 /nfs/dbraw/zinc/81/75/65/526817565.db2.gz HFBSKZOYEYZMKF-IBGZPJMESA-N 0 0 449.429 2.770 50 0 IFAARN O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(Cl)cc1F ZINC000012545362 526819523 /nfs/dbraw/zinc/81/95/23/526819523.db2.gz YFUHKRQBSUWBAU-LJQANCHMSA-N 0 0 433.867 2.544 50 0 IFAARN O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCO2 ZINC000021942430 526823990 /nfs/dbraw/zinc/82/39/90/526823990.db2.gz ZOPFLUQBPOYKRB-UHFFFAOYSA-N 0 0 435.461 2.811 50 0 IFAARN NC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000022659020 526855039 /nfs/dbraw/zinc/85/50/39/526855039.db2.gz KHDBERUOJFHUAL-UHFFFAOYSA-N 0 0 435.455 2.922 50 0 IFAARN NC(=O)C1CCN(c2ccc3cccc(OCC(=O)N4CCc5ccccc54)c3n2)CC1 ZINC000017200610 526858432 /nfs/dbraw/zinc/85/84/32/526858432.db2.gz QYWMMBHXRNRDHM-UHFFFAOYSA-N 0 0 430.508 2.905 50 0 IFAARN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012595797 526871184 /nfs/dbraw/zinc/87/11/84/526871184.db2.gz DUXHYAAFBQPVOJ-QFIPXVFZSA-N 0 0 437.521 2.622 50 0 IFAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013126604 526875901 /nfs/dbraw/zinc/87/59/01/526875901.db2.gz STQROZLHZPJWHA-CQSZACIVSA-N 0 0 440.550 2.741 50 0 IFAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012677040 526876696 /nfs/dbraw/zinc/87/66/96/526876696.db2.gz IGBTWZIYWIFFCD-UHFFFAOYSA-N 0 0 440.550 2.741 50 0 IFAARN O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012551808 526884899 /nfs/dbraw/zinc/88/48/99/526884899.db2.gz SMGYZVGVTKEIRG-UHFFFAOYSA-N 0 0 448.907 2.812 50 0 IFAARN Cc1sc2nc(CN3CCCC3)nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)c2c1C ZINC000022343576 526890033 /nfs/dbraw/zinc/89/00/33/526890033.db2.gz WDNIGASGIQNPFM-QGZVFWFLSA-N 0 0 429.590 2.732 50 0 IFAARN Cc1nc(COc2ccc(C(=O)OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)no1 ZINC000012823951 526905588 /nfs/dbraw/zinc/90/55/88/526905588.db2.gz UVSKQABTVXCQLP-UHFFFAOYSA-N 0 0 426.816 2.975 50 0 IFAARN O=C(COc1ccc(F)cc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012915807 526960900 /nfs/dbraw/zinc/96/09/00/526960900.db2.gz BXNVSLHDYRJTMK-UHFFFAOYSA-N 0 0 426.897 2.532 50 0 IFAARN O=C1CC2(CCCC2)C(=O)N1CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000022788398 526961373 /nfs/dbraw/zinc/96/13/73/526961373.db2.gz IJPFXQPJPPEIMP-UHFFFAOYSA-N 0 0 426.380 2.905 50 0 IFAARN O=C(COc1cccc(Cl)c1)NCCNC(=O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000015082202 526975436 /nfs/dbraw/zinc/97/54/36/526975436.db2.gz YTSYOXDKOLNCON-UHFFFAOYSA-N 0 0 435.267 2.968 50 0 IFAARN NC(=O)[C@@H]1CN(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc2O1 ZINC000012549773 526980067 /nfs/dbraw/zinc/98/00/67/526980067.db2.gz WXZKFZYJZLRXEY-BEFAXECRSA-N 0 0 436.537 2.755 50 0 IFAARN NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000035361673 526983851 /nfs/dbraw/zinc/98/38/51/526983851.db2.gz XYCYHSGPTIKFCM-QFIPXVFZSA-N 0 0 428.492 2.790 50 0 IFAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1cccnc1 ZINC000012374793 526987345 /nfs/dbraw/zinc/98/73/45/526987345.db2.gz HTJCLEVCLFPZGN-OAHLLOKOSA-N 0 0 448.279 2.725 50 0 IFAARN O=C(COc1ccccc1Cl)N1CCC[C@@H](C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000012590682 526988322 /nfs/dbraw/zinc/98/83/22/526988322.db2.gz MECSGDYOTIZILW-OAHLLOKOSA-N 0 0 440.891 2.572 50 0 IFAARN O=C1CNC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N1Cc1ccc(F)cc1 ZINC000036024684 527012359 /nfs/dbraw/zinc/01/23/59/527012359.db2.gz BSIUGRQBWWJKPV-UHFFFAOYSA-N 0 0 437.924 2.592 50 0 IFAARN O=C1CS(=O)(=O)[C@]2(c3ccccc3N(Cc3ccccc3)C2=O)N1c1ccc(F)cc1 ZINC000020577198 527015791 /nfs/dbraw/zinc/01/57/91/527015791.db2.gz AVLMOMXENPPIME-QHCPKHFHSA-N 0 0 436.464 2.987 50 0 IFAARN O=C1CS[C@]2(c3ccccc3N(CN3CCOCC3)C2=O)N1c1cccc(Cl)c1 ZINC000022298973 527016465 /nfs/dbraw/zinc/01/64/65/527016465.db2.gz RZYQIDGBHPZRFI-NRFANRHFSA-N 0 0 429.929 2.909 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1cccc(Cl)c1)CCC2 ZINC000012811168 527021851 /nfs/dbraw/zinc/02/18/51/527021851.db2.gz SKEFTCUMEZBMGS-UHFFFAOYSA-N 0 0 434.934 2.696 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(NC[C@@H]3CCCO3)s1)CCC2 ZINC000009789045 527022070 /nfs/dbraw/zinc/02/20/70/527022070.db2.gz QVLNGGWXYAZRJH-VIFPVBQESA-N 0 0 439.588 2.509 50 0 IFAARN Cn1c(=O)c2cc(C(=O)Nc3nc(-c4ccc5c(c4)CCCC5)cs3)cnc2n(C)c1=O ZINC000022760392 527025663 /nfs/dbraw/zinc/02/56/63/527025663.db2.gz FPCLNYWCFQBBDU-UHFFFAOYSA-N 0 0 447.520 2.887 50 0 IFAARN O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000022772672 527028036 /nfs/dbraw/zinc/02/80/36/527028036.db2.gz OWPLGTCMPHVOQU-IBGZPJMESA-N 0 0 441.915 2.514 50 0 IFAARN Cn1c(=O)cc(N2CCCCC2)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21 ZINC000001042203 527028561 /nfs/dbraw/zinc/02/85/61/527028561.db2.gz IQYYKFJWSZHZNR-UHFFFAOYSA-N 0 0 428.492 2.831 50 0 IFAARN Cn1c(CCC(=O)Nc2ccccn2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012773434 527047490 /nfs/dbraw/zinc/04/74/90/527047490.db2.gz FYBDPAAFZVSVDG-UHFFFAOYSA-N 0 0 427.530 2.714 50 0 IFAARN O=C(CSc1n[nH]c(=O)n1C1CCCCC1)NCc1ccc(N2CCCC2=O)cc1 ZINC000012429209 527049550 /nfs/dbraw/zinc/04/95/50/527049550.db2.gz VHDBAUCPKZUFRN-UHFFFAOYSA-N 0 0 429.546 2.612 50 0 IFAARN O=C(CSc1nc2c(nc[nH]c2=O)n1C[C@@H]1CCCO1)Nc1ccc(F)c(Cl)c1 ZINC000012428535 527058020 /nfs/dbraw/zinc/05/80/20/527058020.db2.gz CYZUSOLNOSZMLD-NSHDSACASA-N 0 0 437.884 2.822 50 0 biogenic,in-vitro IFAARN O=C(CSc1nc[nH]n1)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000021659955 527073216 /nfs/dbraw/zinc/07/32/16/527073216.db2.gz WDJHWVSKAXLVAF-UHFFFAOYSA-N 0 0 440.504 2.637 50 0 IFAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1)NC(=O)NC1CC1 ZINC000021462567 527074796 /nfs/dbraw/zinc/07/47/96/527074796.db2.gz NAMJSUFBTUDSOI-AWEZNQCLSA-N 0 0 440.529 2.686 50 0 IFAARN O=C(CSc1nnc(-c2cccnc2)o1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000008862288 527080695 /nfs/dbraw/zinc/08/06/95/527080695.db2.gz CRVPKGZDQZLLPI-INIZCTEOSA-N 0 0 436.559 2.572 50 0 IFAARN Cn1c(SCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)nnc1C(F)(F)F ZINC000012923809 527080915 /nfs/dbraw/zinc/08/09/15/527080915.db2.gz ASRIQYQWYPPWIZ-VMPITWQZSA-N 0 0 425.480 2.784 50 0 IFAARN O=C(CSc1nnc(C2CC2)n1Cc1ccco1)NC[C@@H]1COc2ccccc2O1 ZINC000022090725 527082378 /nfs/dbraw/zinc/08/23/78/527082378.db2.gz JZFOVZAVUIXJNR-MRXNPFEDSA-N 0 0 426.498 2.845 50 0 IFAARN O=C(CSc1nnc2[nH]c3ccccc3n21)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000012542036 527088179 /nfs/dbraw/zinc/08/81/79/527088179.db2.gz UTDACYINKWJWGL-UHFFFAOYSA-N 0 0 435.513 2.679 50 0 IFAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000012908725 527089147 /nfs/dbraw/zinc/08/91/47/527089147.db2.gz ZTTSROYYYOVKAG-CQSZACIVSA-N 0 0 445.570 2.557 50 0 IFAARN Cn1c2cc3c(cc2s/c1=N/C(=O)CCCS(=O)(=O)Cc1ccccc1)OCCO3 ZINC000012373910 527097102 /nfs/dbraw/zinc/09/71/02/527097102.db2.gz SGPXACFIFOHKHV-QURGRASLSA-N 0 0 446.550 2.834 50 0 IFAARN O=C1S/C(=C/c2ccc(OCCO)cc2)C(=O)N1CN1CCN(c2ccccc2)CC1 ZINC000020311057 527102585 /nfs/dbraw/zinc/10/25/85/527102585.db2.gz IXDJLOWPRNDDNU-LTGZKZEYSA-N 0 0 439.537 2.874 50 0 IFAARN Cn1c2ccc(S(=O)(=O)NCCn3c4ncccc4nc3-c3ccccc3)cc2oc1=O ZINC000021882365 527105309 /nfs/dbraw/zinc/10/53/09/527105309.db2.gz VDFGOUJLWSLNTA-UHFFFAOYSA-N 0 0 449.492 2.522 50 0 IFAARN O=C(Nc1cc2c(cc1Cl)OCO2)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000012854862 527133314 /nfs/dbraw/zinc/13/33/14/527133314.db2.gz QAAJRHYGBRHUND-UHFFFAOYSA-N 0 0 447.900 2.868 50 0 IFAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NCc1ccco1 ZINC000012233404 527135895 /nfs/dbraw/zinc/13/58/95/527135895.db2.gz AITPOBPTNFRFQS-CQSZACIVSA-N 0 0 425.445 2.668 50 0 IFAARN Cn1cc(/C=C/C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c(=O)n(C)c1=O ZINC000012824280 527142957 /nfs/dbraw/zinc/14/29/57/527142957.db2.gz NBCUKBLEXUXEGU-GNUPBWFGSA-N 0 0 427.504 2.511 50 0 IFAARN O=C(C[C@@]1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O)N1CCC[C@H](CO)C1 ZINC000012245767 527147486 /nfs/dbraw/zinc/14/74/86/527147486.db2.gz ZGHMUISCBYQPBB-CPJSRVTESA-N 0 0 426.557 2.885 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCCc1cccnc1 ZINC000012192514 527153876 /nfs/dbraw/zinc/15/38/76/527153876.db2.gz AKDVISCDHQLERE-DEOSSOPVSA-N 0 0 444.535 2.923 50 0 IFAARN Cn1cc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000021413324 527173502 /nfs/dbraw/zinc/17/35/02/527173502.db2.gz IRVWYZLDDYEVAU-UHFFFAOYSA-N 0 0 447.447 2.701 50 0 IFAARN Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)N1CCN(c2ncccn2)CC1 ZINC000021917268 527181170 /nfs/dbraw/zinc/18/11/70/527181170.db2.gz LNVMLJJHMZXHGO-UHFFFAOYSA-N 0 0 440.507 2.506 50 0 IFAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000035686229 527181662 /nfs/dbraw/zinc/18/16/62/527181662.db2.gz UXZNMIRMFSIOMA-GOSISDBHSA-N 0 0 427.888 2.940 50 0 IFAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000035559154 527187972 /nfs/dbraw/zinc/18/79/72/527187972.db2.gz ORKPXEBPIWKXLD-FQEVSTJZSA-N 0 0 434.945 2.877 50 0 IFAARN O=C(C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCC[C@@H]1CO ZINC000014987411 527189384 /nfs/dbraw/zinc/18/93/84/527189384.db2.gz CWLIKOVXGWJKSI-DYESRHJHSA-N 0 0 438.446 2.628 50 0 IFAARN O=C(C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)NCCN1CCCCC1 ZINC000021109781 527193000 /nfs/dbraw/zinc/19/30/00/527193000.db2.gz HMLLUMDFUIFZBE-HKBQPEDESA-N 0 0 439.585 2.514 50 0 IFAARN O=C(Cc1c(F)cc(F)cc1F)N1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 ZINC000012611987 527197675 /nfs/dbraw/zinc/19/76/75/527197675.db2.gz BGYTYGZUAAEXMD-CYBMUJFWSA-N 0 0 436.434 2.682 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCN(CCc2ccccc2)CC1 ZINC000022475986 527199356 /nfs/dbraw/zinc/19/93/56/527199356.db2.gz PVNNBAFHBDZWDO-UHFFFAOYSA-N 0 0 446.477 2.689 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN(c2ccccc2O)CC1 ZINC000012561395 527199430 /nfs/dbraw/zinc/19/94/30/527199430.db2.gz KOOIMAXUYBKQBS-UHFFFAOYSA-N 0 0 448.449 2.747 50 0 IFAARN O=C(Nc1ccc(F)cc1)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1 ZINC000035451849 527200024 /nfs/dbraw/zinc/20/00/24/527200024.db2.gz ZJDHMGOOMCDSCJ-UHFFFAOYSA-N 0 0 442.466 2.832 50 0 IFAARN O=S(=O)(NCCOc1cc(N2CCCCC2)ncn1)c1ccc(OC(F)(F)F)cc1 ZINC000035598397 527217193 /nfs/dbraw/zinc/21/71/93/527217193.db2.gz LRSVSAHMKIDFQP-UHFFFAOYSA-N 0 0 446.451 2.723 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)nc1)c1occc1CS(=O)(=O)c1ccccc1 ZINC000022284554 527230865 /nfs/dbraw/zinc/23/08/65/527230865.db2.gz BQSWQEOZVYWTJV-UHFFFAOYSA-N 0 0 427.482 2.737 50 0 IFAARN O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1Br ZINC000012914935 527235115 /nfs/dbraw/zinc/23/51/15/527235115.db2.gz CUWAPKMFFSSVAO-KRWDZBQOSA-N 0 0 425.348 2.801 50 0 IFAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000022056656 527280103 /nfs/dbraw/zinc/28/01/03/527280103.db2.gz GWCNTJFEPGIIFF-UHFFFAOYSA-N 0 0 428.514 2.715 50 0 IFAARN O=S(=O)(c1cccc2nsnc21)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000021707333 527285696 /nfs/dbraw/zinc/28/56/96/527285696.db2.gz BXMUTDURLYXWSN-UHFFFAOYSA-N 0 0 432.556 2.597 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000033325481 527285841 /nfs/dbraw/zinc/28/58/41/527285841.db2.gz IIBYDCMTZBQTPS-CQSZACIVSA-N 0 0 445.522 2.995 50 0 IFAARN O=S1(=O)CC[C@@H](Cc2nnc(SCCOc3cccc(Br)c3)o2)C1 ZINC000021624194 527309490 /nfs/dbraw/zinc/30/94/90/527309490.db2.gz SQUKDVNHCZEELB-NSHDSACASA-N 0 0 433.349 2.980 50 0 IFAARN O=C(Cc1noc2ccccc21)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000014893908 527347108 /nfs/dbraw/zinc/34/71/08/527347108.db2.gz WRHCGPMVYJGJCN-UHFFFAOYSA-N 0 0 439.537 2.782 50 0 IFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)NCc1ccccc1Cl ZINC000035449989 527349665 /nfs/dbraw/zinc/34/96/65/527349665.db2.gz BSQVQUPEAXYNLB-UHFFFAOYSA-N 0 0 434.883 2.576 50 0 IFAARN O=C(Cn1ccnc1-c1ccccc1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 ZINC000012317463 527394148 /nfs/dbraw/zinc/39/41/48/527394148.db2.gz CBKBUVCOICZBPX-QGZVFWFLSA-N 0 0 444.582 2.829 50 0 IFAARN O=C(Cn1nc(-c2cccs2)oc1=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000021523482 527413778 /nfs/dbraw/zinc/41/37/78/527413778.db2.gz GJVBDECHKBXOJA-CYBMUJFWSA-N 0 0 438.387 2.871 50 0 IFAARN O=C(Cn1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2)NC[C@@H]1CCCO1 ZINC000035596854 527417894 /nfs/dbraw/zinc/41/78/94/527417894.db2.gz YGDMKDRWLHAHTB-AWEZNQCLSA-N 0 0 426.498 2.924 50 0 IFAARN O=C(Cn1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2)NC[C@H]1CCCO1 ZINC000035596855 527418224 /nfs/dbraw/zinc/41/82/24/527418224.db2.gz YGDMKDRWLHAHTB-CQSZACIVSA-N 0 0 426.498 2.924 50 0 IFAARN O=c1[nH]c2cc3c(cc2c(=O)n1CCCc1nc(-c2cccc(Cl)c2)no1)OCO3 ZINC000021874031 527442552 /nfs/dbraw/zinc/44/25/52/527442552.db2.gz ILZACLYMFPTNQI-UHFFFAOYSA-N 0 0 426.816 2.755 50 0 IFAARN O=c1c2c3c(sc2n(CCN2CCOCC2)c(=O)n1Cc1ccccc1)CCCCC3 ZINC000020533390 527458910 /nfs/dbraw/zinc/45/89/10/527458910.db2.gz KZSNKRHIRYBSDO-UHFFFAOYSA-N 0 0 439.581 2.874 50 0 IFAARN O=C(Nc1cnn(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)c1)[C@@H]1CCOC1 ZINC000011981990 527483716 /nfs/dbraw/zinc/48/37/16/527483716.db2.gz ZVZQFLWJLQLQSU-HXUWFJFHSA-N 0 0 445.523 2.810 50 0 IFAARN O=c1ccc(-c2ccc(Cl)c(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)n[nH]1 ZINC000035378108 527483891 /nfs/dbraw/zinc/48/38/91/527483891.db2.gz AZARMMJABFPNQB-UHFFFAOYSA-N 0 0 444.944 2.597 50 0 IFAARN O=c1cc(Sc2ncccn2)[nH]c(=O)n1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000020365373 527483904 /nfs/dbraw/zinc/48/39/04/527483904.db2.gz JFAIWJSOUDFIHT-UHFFFAOYSA-N 0 0 444.826 2.657 50 0 IFAARN Cn1cnnc1SCCNC(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 ZINC000012022205 527528294 /nfs/dbraw/zinc/52/82/94/527528294.db2.gz HEVHYEVMVYPOOF-UHFFFAOYSA-N 0 0 427.408 2.923 50 0 IFAARN O=C(NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2F)C3)CC1)C1CCCC1 ZINC000263615065 527534907 /nfs/dbraw/zinc/53/49/07/527534907.db2.gz AJURZMVWIIELRU-QFIPXVFZSA-N 0 0 427.524 2.960 50 0 IFAARN Cn1nc(C(C)(C)C)cc1NC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000012907126 527550613 /nfs/dbraw/zinc/55/06/13/527550613.db2.gz FEMUHSDNMATLGZ-CQSZACIVSA-N 0 0 429.546 2.517 50 0 IFAARN Cc1nn(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2Cc2ccc(F)cc2)c(C)c1C ZINC000012232073 527570730 /nfs/dbraw/zinc/57/07/30/527570730.db2.gz VUPFWMVHRGDGHA-UHFFFAOYSA-N 0 0 438.507 2.851 50 0 IFAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000022754303 527572981 /nfs/dbraw/zinc/57/29/81/527572981.db2.gz FYGFGXHLPCBARQ-UHFFFAOYSA-N 0 0 438.572 2.888 50 0 IFAARN O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cnccn3)C[C@H]12 ZINC000035871631 527596951 /nfs/dbraw/zinc/59/69/51/527596951.db2.gz RAYHVZXBLNAFET-IEBWSBKVSA-N 0 0 431.462 2.889 50 0 IFAARN O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 ZINC000020744319 527623165 /nfs/dbraw/zinc/62/31/65/527623165.db2.gz ASSLVECMSJWDHX-UHFFFAOYSA-N 0 0 425.938 2.825 50 0 IFAARN O=C(/C=C/c1nc2ccccc2s1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012691840 527650942 /nfs/dbraw/zinc/65/09/42/527650942.db2.gz OQUBRBVYYRWLJH-ZHACJKMWSA-N 0 0 427.551 2.984 50 0 IFAARN Cc1nn(C)c2ncc(NC(=O)CCn3cnc4ccc(Br)cc4c3=O)cc12 ZINC000022473157 527686442 /nfs/dbraw/zinc/68/64/42/527686442.db2.gz JWJFJEXFULKYGS-UHFFFAOYSA-N 0 0 441.289 2.778 50 0 IFAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1 ZINC000004571085 535121449 /nfs/dbraw/zinc/12/14/49/535121449.db2.gz XGJROCSTZAGCLE-UHFFFAOYSA-N 0 0 429.590 2.885 50 0 IFAARN CC(C)CNc1nc(Oc2ccc(OCc3ccccc3)nn2)nc(N2CCOCC2)n1 ZINC000009201757 535171421 /nfs/dbraw/zinc/17/14/21/535171421.db2.gz VDABMWRSHLPRQT-UHFFFAOYSA-N 0 0 437.504 2.937 50 0 IFAARN CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000009601616 535180562 /nfs/dbraw/zinc/18/05/62/535180562.db2.gz AKEOPFBKIDXORF-UHFFFAOYSA-N 0 0 433.549 2.795 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1 ZINC000011697707 535391608 /nfs/dbraw/zinc/39/16/08/535391608.db2.gz NFXLQIVQOAHQIU-UHFFFAOYSA-N 0 0 440.529 2.525 50 0 IFAARN CCN1C(=O)C(=C(C)Nc2cc(Cl)ccc2N2CCOCC2)C(=O)N(CC)C1=S ZINC000009983718 535425922 /nfs/dbraw/zinc/42/59/22/535425922.db2.gz MNCAVKRFVFKVNL-UHFFFAOYSA-N 0 0 436.965 2.858 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2cc(C)cc(C)c2)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000008590742 535655949 /nfs/dbraw/zinc/65/59/49/535655949.db2.gz NODYNEDBZKQWCS-JOCHJYFZSA-N 0 0 435.590 2.509 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2cccc(C)c2C)[C@](C)(C(=O)NC2CCCCC2)C1 ZINC000008590664 535656623 /nfs/dbraw/zinc/65/66/23/535656623.db2.gz KZZXPIXRWLFJRK-QFIPXVFZSA-N 0 0 435.590 2.509 50 0 IFAARN CCOC(=O)c1ccc(N2CN=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3C2)cc1 ZINC000002259818 535692237 /nfs/dbraw/zinc/69/22/37/535692237.db2.gz YKHNNVGEPVTFST-WQRHYEAKSA-N 0 0 427.913 2.624 50 0 IFAARN CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccccc4OC)CC3)cn2)cc1 ZINC000013809125 535692570 /nfs/dbraw/zinc/69/25/70/535692570.db2.gz IEWGRIPKILOWAB-UHFFFAOYSA-N 0 0 448.523 2.666 50 0 IFAARN CN1C(=O)N(C)C(=O)C2(Cc3cc4ccccc4nc3N3CCc4ccccc4[C@@H]32)C1=O ZINC000013577173 536320540 /nfs/dbraw/zinc/32/05/40/536320540.db2.gz AAKBOATUFHFPIF-HXUWFJFHSA-N 0 0 426.476 2.932 50 0 IFAARN CN1C(=O)N(C)C(=O)C2(Cc3c(Cl)cccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O ZINC000009215837 536320821 /nfs/dbraw/zinc/32/08/21/536320821.db2.gz OWKAWYHQJDWIMW-LJQANCHMSA-N 0 0 438.915 2.628 50 0 IFAARN CNS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000000987783 536333445 /nfs/dbraw/zinc/33/34/45/536333445.db2.gz OGPAHBYNEJBWTE-UHFFFAOYSA-N 0 0 434.871 2.989 50 0 IFAARN COc1ccc(C=CC(=O)N[C@H](C)C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000013039158 536590632 /nfs/dbraw/zinc/59/06/32/536590632.db2.gz VTYZNXKBJSAZCH-QPEODSHDSA-N 0 0 435.524 2.765 50 0 IFAARN COC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000009010482 536732761 /nfs/dbraw/zinc/73/27/61/536732761.db2.gz RFAFQEMEKWVIMG-UHFFFAOYSA-N 0 0 445.497 2.595 50 0 IFAARN COc1cccc(-n2nnc3c2ncnc3N2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC000010256427 537073098 /nfs/dbraw/zinc/07/30/98/537073098.db2.gz MFUWXJVFROQIEY-UHFFFAOYSA-N 0 0 435.532 2.838 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1c1cccs1 ZINC000000631414 555514882 /nfs/dbraw/zinc/51/48/82/555514882.db2.gz APNHBUKSBRIQBQ-QMJOVRGKSA-N 0 0 428.510 2.999 50 0 IFAARN COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 ZINC000014291874 555515210 /nfs/dbraw/zinc/51/52/10/555515210.db2.gz VPADYJFEIPBBKP-UHFFFAOYSA-N 0 0 444.431 2.987 50 0 IFAARN COc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1OC ZINC000000652492 555523475 /nfs/dbraw/zinc/52/34/75/555523475.db2.gz AQSJMCFDEGGLLO-UHFFFAOYSA-N 0 0 428.894 2.771 50 0 IFAARN Cc1c(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000000655970 555524768 /nfs/dbraw/zinc/52/47/68/555524768.db2.gz YBGBIHSBTZCMJH-UHFFFAOYSA-N 0 0 442.541 2.506 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000000656709 555525086 /nfs/dbraw/zinc/52/50/86/555525086.db2.gz XSVOIHRNXJIFCD-UHFFFAOYSA-N 0 0 445.541 2.567 50 0 IFAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2NC(=O)c2ccccc2)cc1 ZINC000000662348 555527429 /nfs/dbraw/zinc/52/74/29/555527429.db2.gz YJSZHJSOYUSEAM-SFHVURJKSA-N 0 0 440.525 2.577 50 0 IFAARN COc1ccccc1OCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)COc1ccccc1OC ZINC000000674044 555532766 /nfs/dbraw/zinc/53/27/66/555532766.db2.gz PMWWFSYEZJHEKA-ROUUACIJSA-N 0 0 442.512 2.705 50 0 IFAARN O=S(=O)(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2ccccc2c1 ZINC000000686353 555539859 /nfs/dbraw/zinc/53/98/59/555539859.db2.gz WTQJNBNOBOSUND-UHFFFAOYSA-N 0 0 432.523 2.662 50 0 IFAARN CCOC(=O)c1sc(NC(=O)Cn2nnc(-c3ccccc3)n2)c(C(=O)OCC)c1C ZINC000009284172 555547101 /nfs/dbraw/zinc/54/71/01/555547101.db2.gz FAAWHNVEIAPYGB-UHFFFAOYSA-N 0 0 443.485 2.702 50 0 IFAARN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)ccc1O ZINC000000716310 555548537 /nfs/dbraw/zinc/54/85/37/555548537.db2.gz PQWQITBQKOXZAS-HXUWFJFHSA-N 0 0 426.425 2.891 50 0 IFAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(NC(=O)c2ccc(Cl)cc2)C1=S ZINC000000720862 555549956 /nfs/dbraw/zinc/54/99/56/555549956.db2.gz RMHWWLOVBNOWCC-MRXNPFEDSA-N 0 0 448.907 2.970 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2OC)cc1 ZINC000000784217 555555735 /nfs/dbraw/zinc/55/57/35/555555735.db2.gz YOCIOBDZSYKILN-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc(OC)cc3OC)c(=O)c2c1C ZINC000000791150 555557139 /nfs/dbraw/zinc/55/71/39/555557139.db2.gz CUEWLZFZQVLWOF-UHFFFAOYSA-N 0 0 431.470 2.599 50 0 IFAARN COc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1OC ZINC000000797726 555558672 /nfs/dbraw/zinc/55/86/72/555558672.db2.gz OLIPJLYQHSAQOF-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1OC ZINC000000811836 555560878 /nfs/dbraw/zinc/56/08/78/555560878.db2.gz LBUFPCCLQFVSDJ-UHFFFAOYSA-N 0 0 432.542 2.776 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)CC1 ZINC000000814973 555561318 /nfs/dbraw/zinc/56/13/18/555561318.db2.gz WACIKHRNXPQATL-KRWDZBQOSA-N 0 0 432.274 2.520 50 0 IFAARN CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000000815463 555561851 /nfs/dbraw/zinc/56/18/51/555561851.db2.gz SFXNBPVQITYHNX-UHFFFAOYSA-N 0 0 431.514 2.554 50 0 IFAARN O=S(=O)(NCc1ccco1)c1cccc2c1cccc2S(=O)(=O)NCc1ccco1 ZINC000000841048 555568188 /nfs/dbraw/zinc/56/81/88/555568188.db2.gz YJIHIMAJNMNWIG-UHFFFAOYSA-N 0 0 446.506 2.983 50 0 IFAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)F)cc(Br)c1O ZINC000000844383 555568757 /nfs/dbraw/zinc/56/87/57/555568757.db2.gz ISLOIQQJMXEKEC-NSHDSACASA-N 0 0 439.184 2.897 50 0 IFAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)cc1OC ZINC000000844471 555569010 /nfs/dbraw/zinc/56/90/10/555569010.db2.gz ZJDBVOMWHHMFEY-FQEVSTJZSA-N 0 0 426.425 2.804 50 0 IFAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)cc1 ZINC000000846193 555569673 /nfs/dbraw/zinc/56/96/73/555569673.db2.gz WPDOCWCLSKMEDG-OAQYLSRUSA-N 0 0 439.512 2.561 50 0 IFAARN CCOc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000876958 555576135 /nfs/dbraw/zinc/57/61/35/555576135.db2.gz ZUHLMKZTSUVUGD-UHFFFAOYSA-N 0 0 425.510 2.992 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000000879964 555576768 /nfs/dbraw/zinc/57/67/68/555576768.db2.gz DOLFAJQVAQABGI-UHFFFAOYSA-N 0 0 427.276 2.583 50 0 IFAARN CC(C)n1c2ccccc2nc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000009508415 555577156 /nfs/dbraw/zinc/57/71/56/555577156.db2.gz NMZZKAMYUNZBNJ-UHFFFAOYSA-N 0 0 432.571 2.716 50 0 IFAARN COc1ccc(CNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 ZINC000000880276 555577198 /nfs/dbraw/zinc/57/71/98/555577198.db2.gz AMDODWMTZIRXBR-UHFFFAOYSA-N 0 0 427.320 2.540 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)cc1OC ZINC000000882597 555578113 /nfs/dbraw/zinc/57/81/13/555578113.db2.gz LJSXNVWWEGVISY-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN COc1ccc(C(O)=C2[C@H](c3ccc4c(c3)OCO4)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000000912986 555582791 /nfs/dbraw/zinc/58/27/91/555582791.db2.gz PRTCGQRTMLEBJQ-BXWFABGCSA-N 0 0 438.358 2.528 50 0 IFAARN CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F ZINC000000951738 555589402 /nfs/dbraw/zinc/58/94/02/555589402.db2.gz KYIWLCVIVOVHDH-COPLHBTASA-N 0 0 425.201 2.575 50 0 IFAARN O=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)N1CCOCC1 ZINC000000955648 555590319 /nfs/dbraw/zinc/59/03/19/555590319.db2.gz GBFKKUNCNBCURK-UHFFFAOYSA-N 0 0 434.315 2.746 50 0 IFAARN CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(NC(=O)c2ccc(Cl)cc2)C1=S ZINC000000976060 555592300 /nfs/dbraw/zinc/59/23/00/555592300.db2.gz SMSNEMZOXJBRJJ-OAHLLOKOSA-N 0 0 434.880 2.580 50 0 IFAARN CC(=O)Nc1cccc(-n2nnc(SCC(=O)c3ccc4c(c3)OCCCO4)n2)c1 ZINC000001030087 555605604 /nfs/dbraw/zinc/60/56/04/555605604.db2.gz UWYNAQCAFHQVQF-UHFFFAOYSA-N 0 0 425.470 2.757 50 0 IFAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000001034146 555607462 /nfs/dbraw/zinc/60/74/62/555607462.db2.gz IZVDZCYUBHXHQZ-FQEVSTJZSA-N 0 0 433.464 2.774 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)C2CCCCC2)cc1Cl ZINC000001062064 555616703 /nfs/dbraw/zinc/61/67/03/555616703.db2.gz DKVWFZCPGCFZCE-UHFFFAOYSA-N 0 0 430.954 2.531 50 0 IFAARN O=S(=O)(N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000001062662 555617073 /nfs/dbraw/zinc/61/70/73/555617073.db2.gz HCBUFVLQTOCRFR-ROUUACIJSA-N 0 0 430.498 2.533 50 0 IFAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000001064854 555617869 /nfs/dbraw/zinc/61/78/69/555617869.db2.gz NSBOKWVHXUMWMS-OAHLLOKOSA-N 0 0 445.541 2.822 50 0 IFAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(NC(=O)c2ccccc2F)C1=S ZINC000001073435 555622621 /nfs/dbraw/zinc/62/26/21/555622621.db2.gz SZJWXKFYJBGXHX-MRXNPFEDSA-N 0 0 448.907 2.970 50 0 IFAARN COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1 ZINC000001075388 555623735 /nfs/dbraw/zinc/62/37/35/555623735.db2.gz ZIWRJURFOXYZIG-UHFFFAOYSA-N 0 0 434.514 2.733 50 0 IFAARN CCOC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(Cl)cc1 ZINC000001076504 555624323 /nfs/dbraw/zinc/62/43/23/555624323.db2.gz RWZPGZUNGRUYDQ-MFKMUULPSA-N 0 0 436.917 2.909 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000009712955 555625188 /nfs/dbraw/zinc/62/51/88/555625188.db2.gz MMVVTRMYWUPHCQ-UHFFFAOYSA-N 0 0 434.481 2.740 50 0 IFAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000001108993 555630449 /nfs/dbraw/zinc/63/04/49/555630449.db2.gz PTRALTGGCGQGDA-QGZVFWFLSA-N 0 0 441.509 2.770 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000001117292 555634981 /nfs/dbraw/zinc/63/49/81/555634981.db2.gz TWDZEEMHKACJST-KBXRYBNXSA-N 0 0 448.475 2.932 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(I)cc2)cc1 ZINC000001119309 555636354 /nfs/dbraw/zinc/63/63/54/555636354.db2.gz JMJFSPCZTJZRHE-UHFFFAOYSA-N 0 0 430.267 2.517 50 0 IFAARN CCOC(=O)COc1cc(Cl)c([C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC ZINC000001126676 555641404 /nfs/dbraw/zinc/64/14/04/555641404.db2.gz FPOISSUSGYTAGQ-KRWDZBQOSA-N 0 0 442.921 2.646 50 0 IFAARN COC(=O)c1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1 ZINC000001129000 555643195 /nfs/dbraw/zinc/64/31/95/555643195.db2.gz WDCXDDJPQBQVKV-XNTDXEJSSA-N 0 0 442.294 2.915 50 0 IFAARN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(OC)ccc1OC ZINC000001131216 555644816 /nfs/dbraw/zinc/64/48/16/555644816.db2.gz IFTHGUARLBZWAA-PDGQHHTCSA-N 0 0 442.493 2.860 50 0 IFAARN CN(CC(=O)Nc1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000001142560 555650943 /nfs/dbraw/zinc/65/09/43/555650943.db2.gz YTRQXFVPYIAFFP-UHFFFAOYSA-N 0 0 430.267 2.550 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000001179003 555670804 /nfs/dbraw/zinc/67/08/04/555670804.db2.gz ZVFLDMNTYPKGIC-MUMAZLPKSA-N 0 0 428.510 2.999 50 0 IFAARN O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000001234535 555686932 /nfs/dbraw/zinc/68/69/32/555686932.db2.gz RWTYJGWKNKHROG-UHFFFAOYSA-N 0 0 425.304 2.722 50 0 IFAARN O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001270214 555688703 /nfs/dbraw/zinc/68/87/03/555688703.db2.gz NCFAADJMFUPNJZ-UHFFFAOYSA-N 0 0 446.920 2.589 50 0 IFAARN Cn1c2nc(NCCc3ccc(F)cc3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000001409294 555694019 /nfs/dbraw/zinc/69/40/19/555694019.db2.gz IOVJZMIECKXUPJ-UHFFFAOYSA-N 0 0 441.894 2.929 50 0 IFAARN CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001893966 555722958 /nfs/dbraw/zinc/72/29/58/555722958.db2.gz MICRODNJZKNSMX-RTWAWAEBSA-N 0 0 436.508 2.988 50 0 IFAARN CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001893967 555723005 /nfs/dbraw/zinc/72/30/05/555723005.db2.gz MICRODNJZKNSMX-SFTDATJTSA-N 0 0 436.508 2.988 50 0 IFAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)N2CCOCC2)cc1OC ZINC000001994393 555727173 /nfs/dbraw/zinc/72/71/73/555727173.db2.gz SGWLQCZFBYKLGI-UHFFFAOYSA-N 0 0 425.437 2.715 50 0 IFAARN COC(=O)CN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000002212922 555758689 /nfs/dbraw/zinc/75/86/89/555758689.db2.gz WPFFQKNXLYNFQR-MRXNPFEDSA-N 0 0 431.901 2.844 50 0 IFAARN CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(C)cc2)c2ccccc21 ZINC000002299896 555766570 /nfs/dbraw/zinc/76/65/70/555766570.db2.gz QITGOSMFNUNSDP-SFHVURJKSA-N 0 0 427.460 2.947 50 0 IFAARN O=C(NCCCNC(=O)c1cncc(Br)c1)c1cncc(Br)c1 ZINC000002306216 555767140 /nfs/dbraw/zinc/76/71/40/555767140.db2.gz FQEUHYJICDVQED-UHFFFAOYSA-N 0 0 442.111 2.552 50 0 IFAARN CCCOc1ccc(-c2nc3s/c(=C4/c5ccccc5N(CC)C4=O)c(=O)n3n2)cc1 ZINC000002313950 555767909 /nfs/dbraw/zinc/76/79/09/555767909.db2.gz YOXQKSKMVBGVGW-HNENSFHCSA-N 0 0 432.505 2.891 50 0 IFAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 ZINC000002385251 555774686 /nfs/dbraw/zinc/77/46/86/555774686.db2.gz JFCCDTSBNGSYKB-UHFFFAOYSA-N 0 0 434.481 2.811 50 0 IFAARN C[C@@H](CN1CCN(c2ccccc2)C(=O)C1=O)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000046158817 555776765 /nfs/dbraw/zinc/77/67/65/555776765.db2.gz ZYSTWWUDFMOUKI-HNNXBMFYSA-N 0 0 433.430 2.833 50 0 IFAARN CCN1C(=O)N[C@@H](c2cc(Br)c(O)c(OC)c2)C(C(=O)OCCOC)=C1C ZINC000002478306 555783457 /nfs/dbraw/zinc/78/34/57/555783457.db2.gz BGBWBKSTIRYUKV-HNNXBMFYSA-N 0 0 443.294 2.713 50 0 IFAARN COc1cc(/C=c2/sc3nc(-c4ccc(Cl)cc4)nn3c2=O)ccc1OC(C)=O ZINC000002533664 555786310 /nfs/dbraw/zinc/78/63/10/555786310.db2.gz VDUHIFBZCREFEB-LICLKQGHSA-N 0 0 427.869 2.953 50 0 IFAARN COc1ccc(Cl)cc1N1CCN(Cc2nc(C(=O)NC[C@H]3CCCO3)co2)CC1 ZINC000034668268 555792415 /nfs/dbraw/zinc/79/24/15/555792415.db2.gz QVXHDERIIBEYEP-MRXNPFEDSA-N 0 0 434.924 2.568 50 0 IFAARN O=C(Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1)c1ccc(F)cc1 ZINC000034672028 555793505 /nfs/dbraw/zinc/79/35/05/555793505.db2.gz HVYOIASUJFOKIV-UHFFFAOYSA-N 0 0 440.500 2.984 50 0 IFAARN Cc1ccccc1C(=O)N1CCc2nc(N3CCN(C)CC3)nc(N3CCC(C)CC3)c2C1 ZINC000034676723 555794746 /nfs/dbraw/zinc/79/47/46/555794746.db2.gz WBHNCXQLVNDDJG-UHFFFAOYSA-N 0 0 448.615 2.972 50 0 IFAARN Cc1cccc(C(=O)N2CCc3nc(N4CCN(C)CC4)nc(N4CCC(C)CC4)c3C2)c1 ZINC000034676726 555794750 /nfs/dbraw/zinc/79/47/50/555794750.db2.gz UEQZFRBVUPHMOS-UHFFFAOYSA-N 0 0 448.615 2.972 50 0 IFAARN O=C(c1coc(CN2CCN(Cc3ccco3)CC2)n1)N1CCN(c2ccccc2)CC1 ZINC000034678385 555797184 /nfs/dbraw/zinc/79/71/84/555797184.db2.gz ZFTPMUFVTVKVDS-UHFFFAOYSA-N 0 0 435.528 2.548 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2cccc(F)c2)c1=O ZINC000034692971 555805746 /nfs/dbraw/zinc/80/57/46/555805746.db2.gz NDLVEPZMONMWDW-UHFFFAOYSA-N 0 0 428.851 2.836 50 0 IFAARN CCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000002734769 555805749 /nfs/dbraw/zinc/80/57/49/555805749.db2.gz PQXVNWWRSBZJBK-UHFFFAOYSA-N 0 0 431.514 2.698 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2ccccc2Cl)n(-c2ccc(F)cc2)c1=O ZINC000034694131 555809190 /nfs/dbraw/zinc/80/91/90/555809190.db2.gz OLABFEYGRPONFM-UHFFFAOYSA-N 0 0 428.851 2.836 50 0 IFAARN COC(=O)c1ccccc1Cn1cnc2c1c(=O)n(CC1CC1)c(=O)n2-c1ccc(F)cc1 ZINC000034694923 555809709 /nfs/dbraw/zinc/80/97/09/555809709.db2.gz NQNSWGSYOVKXNK-UHFFFAOYSA-N 0 0 448.454 2.733 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000002836873 555833461 /nfs/dbraw/zinc/83/34/61/555833461.db2.gz XBZPDBIXFZOWSK-UHFFFAOYSA-N 0 0 440.319 2.667 50 0 IFAARN CCN1c2ccc(Br)cc2/C(=c2\sc3nc4ccccc4n3c2=O)C1=O ZINC000002841767 555836104 /nfs/dbraw/zinc/83/61/04/555836104.db2.gz FIGNBQFATMSXJB-FOCLMDBBSA-N 0 0 426.295 2.956 50 0 IFAARN COc1cc(NC(=S)NC(=O)c2cncc(Br)c2)cc(OC)c1OC ZINC000002851752 555839494 /nfs/dbraw/zinc/83/94/94/555839494.db2.gz LQSBEMNXXORJEN-UHFFFAOYSA-N 0 0 426.292 2.997 50 0 IFAARN COC(=O)c1c2c(sc1NC(=S)NCCn1cc(Br)cn1)CCC2 ZINC000002853308 555840415 /nfs/dbraw/zinc/84/04/15/555840415.db2.gz VTRNUIMMCWYCEA-UHFFFAOYSA-N 0 0 429.365 2.969 50 0 IFAARN COC(=O)c1cc(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)ccc1Cl ZINC000002857583 555842361 /nfs/dbraw/zinc/84/23/61/555842361.db2.gz NLJKRGPESDMODY-UHFFFAOYSA-N 0 0 440.905 2.848 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)c1 ZINC000002859482 555843540 /nfs/dbraw/zinc/84/35/40/555843540.db2.gz GMLLAKCLVRQOJN-OAHLLOKOSA-N 0 0 439.541 2.974 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1 ZINC000002865365 555846716 /nfs/dbraw/zinc/84/67/16/555846716.db2.gz BEBCLAQRIJCXOK-KRWDZBQOSA-N 0 0 427.526 2.771 50 0 IFAARN COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1 ZINC000002868765 555848697 /nfs/dbraw/zinc/84/86/97/555848697.db2.gz WVKBSHCMPSEFRW-UHFFFAOYSA-N 0 0 443.504 2.553 50 0 IFAARN O=C(CNC(=O)c1ccccc1)NCC(=O)OCc1ccc(C(=O)c2ccccc2)cc1 ZINC000002868634 555848746 /nfs/dbraw/zinc/84/87/46/555848746.db2.gz NDOVNLIAKONAAG-UHFFFAOYSA-N 0 0 430.460 2.507 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000002884106 555856879 /nfs/dbraw/zinc/85/68/79/555856879.db2.gz KBXCXVDLDGIFIC-UHFFFAOYSA-N 0 0 440.905 2.785 50 0 IFAARN O=C(NCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000002885363 555857786 /nfs/dbraw/zinc/85/77/86/555857786.db2.gz GYMOHLLSORTKSX-CYBMUJFWSA-N 0 0 427.320 2.759 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000002886305 555858158 /nfs/dbraw/zinc/85/81/58/555858158.db2.gz OLRUFFZRVNCYQH-UHFFFAOYSA-N 0 0 442.946 2.743 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1S(=O)(=O)N(C)C ZINC000010545660 555868663 /nfs/dbraw/zinc/86/86/63/555868663.db2.gz DSAXWMKJVQLOPD-INIZCTEOSA-N 0 0 442.541 2.842 50 0 IFAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000002995042 555876002 /nfs/dbraw/zinc/87/60/02/555876002.db2.gz BJEIBGNGVVRHGB-SFHVURJKSA-N 0 0 440.924 2.965 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000010546754 555876972 /nfs/dbraw/zinc/87/69/72/555876972.db2.gz DDQCFWHRUOAMOX-SFHVURJKSA-N 0 0 426.542 2.674 50 0 IFAARN O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCCO ZINC000003002805 555877920 /nfs/dbraw/zinc/87/79/20/555877920.db2.gz XYRAZZPEJHLTHD-UHFFFAOYSA-N 0 0 431.341 2.683 50 0 IFAARN COc1ccccc1NC(=O)Cc1noc(COC(=O)c2cc(Cl)c(N)cc2OC)n1 ZINC000010550970 555891542 /nfs/dbraw/zinc/89/15/42/555891542.db2.gz VWVFBQBFIYCJHL-UHFFFAOYSA-N 0 0 446.847 2.861 50 0 IFAARN COc1cccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(C(=O)c2ccco2)CC3)c1 ZINC000034757585 555902327 /nfs/dbraw/zinc/90/23/27/555902327.db2.gz TXPSLOPPSKOSDB-UHFFFAOYSA-N 0 0 449.511 2.821 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3n(n2)CCN(Cc2ccc(Cl)cc2)C3=O)C1 ZINC000034810896 555908718 /nfs/dbraw/zinc/90/87/18/555908718.db2.gz DEFUWRQTJGPDFV-MRXNPFEDSA-N 0 0 444.919 2.608 50 0 IFAARN O=C(NCCc1ccccn1)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2=O ZINC000034811307 555909115 /nfs/dbraw/zinc/90/91/15/555909115.db2.gz SQTBRZQTUHRDIW-UHFFFAOYSA-N 0 0 427.867 2.699 50 0 IFAARN O=C(NCc1ccccn1)c1cc2n(n1)CCN(Cc1cccc(C(F)(F)F)c1)C2=O ZINC000034811258 555909154 /nfs/dbraw/zinc/90/91/54/555909154.db2.gz GJGNDJYECMSHLO-UHFFFAOYSA-N 0 0 429.402 2.883 50 0 IFAARN CN1C2=C(C(=O)N(CC(=O)NCCc3cccs3)C2)[C@@H](c2ccccc2Cl)NC1=O ZINC000034792883 555916600 /nfs/dbraw/zinc/91/66/00/555916600.db2.gz JHFNRFVQNWBWEA-LJQANCHMSA-N 0 0 444.944 2.553 50 0 IFAARN C[C@@H](C(=O)NC1CCCCC1)N1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2C ZINC000034793057 555916870 /nfs/dbraw/zinc/91/68/70/555916870.db2.gz LXKPPTAVUKFZOZ-ORAYPTAESA-N 0 0 430.936 2.970 50 0 IFAARN CCCn1c2ccccc2nc1N1CCC(C(=O)N2CCN(C(=O)OCC)CC2)CC1 ZINC000034906606 555920555 /nfs/dbraw/zinc/92/05/55/555920555.db2.gz BGSYEUNMBUPTQZ-UHFFFAOYSA-N 0 0 427.549 2.963 50 0 IFAARN COCC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(OC)cc1 ZINC000034855621 555924343 /nfs/dbraw/zinc/92/43/43/555924343.db2.gz MZRXUTUVUULZTI-VOIUYBSRSA-N 0 0 428.529 2.963 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000034857781 555924889 /nfs/dbraw/zinc/92/48/89/555924889.db2.gz SZQPBJPYZSIVNV-GCJKJVERSA-N 0 0 429.586 2.841 50 0 IFAARN O=C(CSc1ccccc1)N1CCC(C(=O)NCCNC(=O)c2ccccc2)CC1 ZINC000034899908 555928928 /nfs/dbraw/zinc/92/89/28/555928928.db2.gz OVZFVKRFMFFYKX-UHFFFAOYSA-N 0 0 425.554 2.564 50 0 IFAARN COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 ZINC000034900011 555928964 /nfs/dbraw/zinc/92/89/64/555928964.db2.gz NVEHYOIUFWHJSO-HMXCVIKNSA-N 0 0 427.545 2.501 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(Br)c3)C2)C1 ZINC000034916566 555930629 /nfs/dbraw/zinc/93/06/29/555930629.db2.gz DJHGIXMLEHXMBG-HZPDHXFCSA-N 0 0 437.334 2.599 50 0 IFAARN COc1ccc([C@@H]2N(C(=O)CN3CCCCC3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000003640893 555943344 /nfs/dbraw/zinc/94/33/44/555943344.db2.gz KTCAZEPAQXCZBX-HSZRJFAPSA-N 0 0 443.569 2.713 50 0 IFAARN COc1cc2c(cc1OC)[C@H](C(=O)NCc1cccnc1)[C@H](c1cccnc1)N(C)C2=O ZINC000004057635 555955975 /nfs/dbraw/zinc/95/59/75/555955975.db2.gz WXAKPQFTPJVJMF-VXKWHMMOSA-N 0 0 432.480 2.721 50 0 IFAARN COc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1OC ZINC000004176705 555973431 /nfs/dbraw/zinc/97/34/31/555973431.db2.gz KPOZQXKCVAHTFO-LJQANCHMSA-N 0 0 437.525 2.983 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000004461175 555995285 /nfs/dbraw/zinc/99/52/85/555995285.db2.gz XPHYTMLMVIHPDX-FYXHJSOBSA-N 0 0 426.519 2.565 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(N)=O)cc3)C2=O)cc1C ZINC000004460750 555995302 /nfs/dbraw/zinc/99/53/02/555995302.db2.gz KOKTZJFKZPCKDA-VCHYOVAHSA-N 0 0 439.493 2.843 50 0 IFAARN O=C(NCc1ccc(Cl)cc1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009529866 556003605 /nfs/dbraw/zinc/00/36/05/556003605.db2.gz OEPGLGHXFCTZIU-IAGOWNOFSA-N 0 0 435.958 2.950 50 0 IFAARN COC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000005023223 556028935 /nfs/dbraw/zinc/02/89/35/556028935.db2.gz PJKOLNKWGPPYIW-APWZRJJASA-N 0 0 430.526 2.893 50 0 IFAARN CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)OC ZINC000005706735 556063670 /nfs/dbraw/zinc/06/36/70/556063670.db2.gz YAMQCWSSFXUFGP-ZLGUVYLKSA-N 0 0 442.512 2.934 50 0 IFAARN CC(=O)c1ccc(OCC(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000010567514 556069649 /nfs/dbraw/zinc/06/96/49/556069649.db2.gz VQRRMYDQQHTMCY-UHFFFAOYSA-N 0 0 430.526 2.546 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2Cc2cccnc2)cc1 ZINC000005947769 556070373 /nfs/dbraw/zinc/07/03/73/556070373.db2.gz UHYPIOWMTIYXGJ-SFHVURJKSA-N 0 0 440.525 2.605 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCCSc1ccccn1)c1cccc(Br)c1 ZINC000006348675 556085517 /nfs/dbraw/zinc/08/55/17/556085517.db2.gz FEIUTPKLYOELHT-UHFFFAOYSA-N 0 0 444.376 2.519 50 0 IFAARN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(OC)c1OC(=O)N(C)C ZINC000006458781 556089233 /nfs/dbraw/zinc/08/92/33/556089233.db2.gz GMOOTWXSTXZEEG-GZTJUZNOSA-N 0 0 425.466 2.535 50 0 IFAARN O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1CCCn1ccnc1 ZINC000006530636 556092801 /nfs/dbraw/zinc/09/28/01/556092801.db2.gz YBNRLCUXQBXSJX-UHFFFAOYSA-N 0 0 441.491 2.912 50 0 IFAARN CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(Br)cc1 ZINC000006553012 556094164 /nfs/dbraw/zinc/09/41/64/556094164.db2.gz NTNFVQUAJMSDFP-MKSNKDDYSA-N 0 0 427.291 2.615 50 0 IFAARN NS(=O)(=O)c1cc(C(=O)OCCOc2ccc(Br)cc2)ccc1Cl ZINC000002632945 556115144 /nfs/dbraw/zinc/11/51/44/556115144.db2.gz OTMVBOWMXPMHCV-UHFFFAOYSA-N 0 0 434.695 2.986 50 0 IFAARN Cc1ccsc1CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000002693564 556120824 /nfs/dbraw/zinc/12/08/24/556120824.db2.gz FTFFMWZCZKQYBN-WBVHZDCISA-N 0 0 435.596 2.709 50 0 IFAARN Cc1ccc(Cc2nn3c(=O)/c(=C/c4ccccc4Br)sc3nc2=O)cc1 ZINC000002702812 556123042 /nfs/dbraw/zinc/12/30/42/556123042.db2.gz RLAPVMFBUHGOSJ-BOPFTXTBSA-N 0 0 440.322 2.721 50 0 IFAARN COc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc21 ZINC000002723904 556129160 /nfs/dbraw/zinc/12/91/60/556129160.db2.gz UMFNRIRWDUHIIF-UHFFFAOYSA-N 0 0 447.538 2.887 50 0 IFAARN COC(=O)c1ccn(CSc2nc3ccccc3c(=O)n2CCn2cc(Cl)cn2)n1 ZINC000002741124 556132846 /nfs/dbraw/zinc/13/28/46/556132846.db2.gz XUUZWWDGPQVROR-UHFFFAOYSA-N 0 0 444.904 2.680 50 0 IFAARN CCOC(=O)N1CCN(C(=O)[C@@H](C)n2cc(NC(=O)c3cc(C)c(C)s3)c(C)n2)CC1 ZINC000002732215 556134823 /nfs/dbraw/zinc/13/48/23/556134823.db2.gz GOTDSHPCPIGTNZ-OAHLLOKOSA-N 0 0 447.561 2.984 50 0 IFAARN Cc1nc2sc3c(c2c(=O)n1NC(=O)CCn1cc(Br)cn1)CCCC3 ZINC000002779297 556141340 /nfs/dbraw/zinc/14/13/40/556141340.db2.gz BLBJFBOMOZJDGI-UHFFFAOYSA-N 0 0 436.335 2.765 50 0 IFAARN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000097379373 556144102 /nfs/dbraw/zinc/14/41/02/556144102.db2.gz YSYCZKXMHKCAJO-CHWSQXEVSA-N 0 0 442.891 2.532 50 0 IFAARN Cc1cc(=O)oc2cc(NC(=O)c3ccn(Cn4nnc(-c5ccccc5)n4)n3)ccc12 ZINC000002793553 556145035 /nfs/dbraw/zinc/14/50/35/556145035.db2.gz ZSMXQLPWRWOOPB-UHFFFAOYSA-N 0 0 427.424 2.710 50 0 IFAARN CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC)cc3)CC2=O)cc1 ZINC000008383884 556159664 /nfs/dbraw/zinc/15/96/64/556159664.db2.gz HBRZSAKOSHWWTD-QGZVFWFLSA-N 0 0 425.437 2.651 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000008454208 556185108 /nfs/dbraw/zinc/18/51/08/556185108.db2.gz UYQOSASERNJBGQ-OXRZLYTFSA-N 0 0 441.578 2.815 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(C[C@H](C)O)n2-c2ccccc2)cc1 ZINC000008705737 556201126 /nfs/dbraw/zinc/20/11/26/556201126.db2.gz ATTVNSZHPCHADY-AWEZNQCLSA-N 0 0 425.514 2.880 50 0 IFAARN COc1ccc(CNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cc1 ZINC000008774815 556213667 /nfs/dbraw/zinc/21/36/67/556213667.db2.gz SJUNOIDTPGGTHB-UHFFFAOYSA-N 0 0 439.903 2.756 50 0 IFAARN Cc1cccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000008774923 556213921 /nfs/dbraw/zinc/21/39/21/556213921.db2.gz GSXOJGUZDLELQA-UHFFFAOYSA-N 0 0 442.523 2.926 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000008816446 556217702 /nfs/dbraw/zinc/21/77/02/556217702.db2.gz KEFYQXCTGUTHKX-KRWDZBQOSA-N 0 0 433.574 2.981 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000008816445 556217746 /nfs/dbraw/zinc/21/77/46/556217746.db2.gz KEFYQXCTGUTHKX-QGZVFWFLSA-N 0 0 433.574 2.981 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000008816483 556218090 /nfs/dbraw/zinc/21/80/90/556218090.db2.gz RLXDCESAGPJIBY-INIZCTEOSA-N 0 0 445.541 2.717 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008826749 556224567 /nfs/dbraw/zinc/22/45/67/556224567.db2.gz BLDNSYRSCINTMS-WPNIOXTASA-N 0 0 440.546 2.868 50 0 IFAARN COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1OC ZINC000008915381 556232466 /nfs/dbraw/zinc/23/24/66/556232466.db2.gz SAKMJRLYVPELEG-GJYPPUQNSA-N 0 0 442.365 2.947 50 0 IFAARN Cc1ccc2oc3c(c(=O)c2c1)[C@]1(c2ccccc2N(C)C1=O)N(C[C@@H]1CCCO1)C3=O ZINC000008917024 556232877 /nfs/dbraw/zinc/23/28/77/556232877.db2.gz MJJXOFCZCPJQMF-MQNRADLISA-N 0 0 430.460 2.956 50 0 IFAARN COCCNC(=O)c1cnn2c1N[C@H](c1ccc(OC)c(OC)c1)C[C@H]2C(F)(F)F ZINC000008926504 556234420 /nfs/dbraw/zinc/23/44/20/556234420.db2.gz HEYBVVWRKFIYPB-BBRMVZONSA-N 0 0 428.411 2.937 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008934293 556235083 /nfs/dbraw/zinc/23/50/83/556235083.db2.gz KWWOHFKDLUFRGW-CKNGIZQFSA-N 0 0 434.517 2.807 50 0 IFAARN CC(=O)Nc1ccc(C(=O)Cn2c3ccccc3n(S(=O)(=O)c3ccccc3)c2=O)cc1 ZINC000009095717 556246737 /nfs/dbraw/zinc/24/67/37/556246737.db2.gz DTIPFCWPRQGZSE-UHFFFAOYSA-N 0 0 449.488 2.881 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3cccnc3)CC2=O)cc1 ZINC000009095637 556246809 /nfs/dbraw/zinc/24/68/09/556246809.db2.gz DKNCMVXWABYPPL-QGZVFWFLSA-N 0 0 444.557 2.884 50 0 IFAARN CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000009191207 556253738 /nfs/dbraw/zinc/25/37/38/556253738.db2.gz VLDFZQYOMOBFDU-QGZVFWFLSA-N 0 0 429.542 2.983 50 0 IFAARN CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000009191208 556253839 /nfs/dbraw/zinc/25/38/39/556253839.db2.gz VLDFZQYOMOBFDU-KRWDZBQOSA-N 0 0 429.542 2.983 50 0 IFAARN COCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 ZINC000009199103 556256754 /nfs/dbraw/zinc/25/67/54/556256754.db2.gz QWFZROZEUYVMCE-LBPRGKRZSA-N 0 0 433.921 2.849 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3n(S(=O)(=O)c3ccccc3)c2=O)cc1 ZINC000009224912 556258611 /nfs/dbraw/zinc/25/86/11/556258611.db2.gz MXVODZLYRABOQV-UHFFFAOYSA-N 0 0 449.488 2.881 50 0 IFAARN CC(=O)Oc1ccc2oc(=O)c(C(=O)c3cc4cc(OC(C)=O)ccc4oc3=O)cc2c1 ZINC000009287789 556272040 /nfs/dbraw/zinc/27/20/40/556272040.db2.gz HUCVCCHVSNLGGY-UHFFFAOYSA-N 0 0 434.356 2.981 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000009288606 556273126 /nfs/dbraw/zinc/27/31/26/556273126.db2.gz NBNIRWCOSYSHGJ-KRWDZBQOSA-N 0 0 427.526 2.853 50 0 IFAARN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000009288717 556273462 /nfs/dbraw/zinc/27/34/62/556273462.db2.gz ISLQNCGHQVXTFC-GJZGRUSLSA-N 0 0 433.505 2.894 50 0 IFAARN CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 ZINC000009308175 556277869 /nfs/dbraw/zinc/27/78/69/556277869.db2.gz ICURRWCDZUNNEO-UHFFFAOYSA-N 0 0 426.498 2.714 50 0 IFAARN CCCN1CCn2c(nc3cc(NC(=O)Cn4nc(C)c5ccccc5c4=O)ccc32)C1 ZINC000013688470 556277997 /nfs/dbraw/zinc/27/79/97/556277997.db2.gz DPYKDAWVCBNNJL-UHFFFAOYSA-N 0 0 430.512 2.919 50 0 IFAARN CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C1=O ZINC000013690336 556279706 /nfs/dbraw/zinc/27/97/06/556279706.db2.gz DXCFFABURCICRS-UHFFFAOYSA-N 0 0 428.919 2.843 50 0 IFAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](C)Cc3ccco3)cc1O2 ZINC000013691017 556280383 /nfs/dbraw/zinc/28/03/83/556280383.db2.gz NDFPPZJFOJMVMV-INIZCTEOSA-N 0 0 440.496 2.752 50 0 IFAARN O=C(NCC1(N2CCOCC2)CCCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000032731387 556283279 /nfs/dbraw/zinc/28/32/79/556283279.db2.gz KFSYKIYOIOCNAY-UHFFFAOYSA-N 0 0 449.542 2.968 50 0 IFAARN COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(OC)c(OC)c2)cc1 ZINC000009344372 556283808 /nfs/dbraw/zinc/28/38/08/556283808.db2.gz JQGJDPIJNCHTMK-ROUUACIJSA-N 0 0 448.566 2.987 50 0 IFAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 ZINC000009355952 556285069 /nfs/dbraw/zinc/28/50/69/556285069.db2.gz LRHOREJRTCMJCN-YCFYUYSTSA-N 0 0 447.443 2.619 50 0 IFAARN CCOc1cccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000009455603 556292871 /nfs/dbraw/zinc/29/28/71/556292871.db2.gz MTRBQZXFBIDKLC-SFHVURJKSA-N 0 0 433.526 2.932 50 0 IFAARN CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)C1=O ZINC000013727188 556293528 /nfs/dbraw/zinc/29/35/28/556293528.db2.gz JJAKKUHRQBRXQB-UHFFFAOYSA-N 0 0 446.909 2.983 50 0 IFAARN Cc1oc2cc(OCC(=O)N[C@@H]3C=CS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 ZINC000013731143 556295686 /nfs/dbraw/zinc/29/56/86/556295686.db2.gz DGPGBCMUBJEBAS-MRXNPFEDSA-N 0 0 425.462 2.574 50 0 IFAARN CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)on2)c1 ZINC000009525765 556295910 /nfs/dbraw/zinc/29/59/10/556295910.db2.gz RGSHBYMMVPAWDO-UHFFFAOYSA-N 0 0 431.445 2.841 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000009525878 556296391 /nfs/dbraw/zinc/29/63/91/556296391.db2.gz GMXNJWHAPVDEFJ-HNNXBMFYSA-N 0 0 428.416 2.537 50 0 IFAARN CCOc1ccc(/C=c2\sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC ZINC000013751715 556299422 /nfs/dbraw/zinc/29/94/22/556299422.db2.gz UXYXLAAOJCIWQN-ODLFYWEKSA-N 0 0 439.493 2.790 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCN(C(C)=O)CC1 ZINC000032740457 556300468 /nfs/dbraw/zinc/30/04/68/556300468.db2.gz OICZAFNQVVGUOQ-QGZVFWFLSA-N 0 0 446.400 2.972 50 0 IFAARN CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1C ZINC000009582904 556300784 /nfs/dbraw/zinc/30/07/84/556300784.db2.gz GMJANNOUDQEGAS-UHFFFAOYSA-N 0 0 431.543 2.652 50 0 IFAARN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2nc3ccccc3nc2C)c1 ZINC000032741685 556303383 /nfs/dbraw/zinc/30/33/83/556303383.db2.gz PFZACWMTQIBMSK-UHFFFAOYSA-N 0 0 449.916 2.873 50 0 IFAARN CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1OCC ZINC000009720579 556307436 /nfs/dbraw/zinc/30/74/36/556307436.db2.gz OTOGXRAAFASFNE-MHWRWJLKSA-N 0 0 437.470 2.627 50 0 IFAARN COc1cc(C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000013786875 556309462 /nfs/dbraw/zinc/30/94/62/556309462.db2.gz NLACMHYFLYZEBK-GOSISDBHSA-N 0 0 433.526 2.850 50 0 IFAARN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1c2ccc(S(=O)(=O)N3CCCCC3)cc2oc1=O ZINC000009830601 556311318 /nfs/dbraw/zinc/31/13/18/556311318.db2.gz ODSGEODXBPVPEL-IYBDPMFKSA-N 0 0 435.546 2.559 50 0 IFAARN CC1CCN(C(=O)Cn2c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3oc2=O)CC1 ZINC000009830780 556311629 /nfs/dbraw/zinc/31/16/29/556311629.db2.gz SZHGPTJCKAKDSZ-IRXDYDNUSA-N 0 0 449.573 2.520 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c2ncccc2c(=O)n(CCc2ccccc2)c1=O ZINC000009830968 556312326 /nfs/dbraw/zinc/31/23/26/556312326.db2.gz LLUUFSCWWUJAKH-UHFFFAOYSA-N 0 0 444.491 2.838 50 0 IFAARN Cc1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000032752840 556313859 /nfs/dbraw/zinc/31/38/59/556313859.db2.gz PCMWYUDMCIIHKC-AWEZNQCLSA-N 0 0 439.921 2.547 50 0 IFAARN COc1ccc([C@@H](CC(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCC4)NC(C)=O)cc1 ZINC000032745426 556315244 /nfs/dbraw/zinc/31/52/44/556315244.db2.gz IXNRMOXUGOKKIW-MRXNPFEDSA-N 0 0 441.509 2.793 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000009907614 556316349 /nfs/dbraw/zinc/31/63/49/556316349.db2.gz BJBQZWWBKRJTBM-UHFFFAOYSA-N 0 0 445.324 2.847 50 0 IFAARN CCOc1cc2c(cc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)O[C@@H](C)C2 ZINC000032748141 556316795 /nfs/dbraw/zinc/31/67/95/556316795.db2.gz RRMLMNFMVQUANM-HOTGVXAUSA-N 0 0 432.542 2.700 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000013839433 556317471 /nfs/dbraw/zinc/31/74/71/556317471.db2.gz KNOYRTUSNJNOLH-UHFFFAOYSA-N 0 0 446.257 2.643 50 0 IFAARN COc1ccc(CNC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1 ZINC000013843968 556318527 /nfs/dbraw/zinc/31/85/27/556318527.db2.gz OKZUXQDCRUQVBX-NRFANRHFSA-N 0 0 449.551 2.912 50 0 IFAARN CCc1nn2c(nc(CN[C@H](C)c3ccc(S(=O)(=O)N(CC)CC)cc3)cc2=O)s1 ZINC000032759429 556319551 /nfs/dbraw/zinc/31/95/51/556319551.db2.gz KLPPGVVYCOPAKI-CQSZACIVSA-N 0 0 449.602 2.595 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc1OC ZINC000065059565 556319855 /nfs/dbraw/zinc/31/98/55/556319855.db2.gz OSRCIJAJCIOWAQ-QFIPXVFZSA-N 0 0 432.542 2.811 50 0 IFAARN O=c1cc(CN2CCN(c3nn4cc(-c5ccccc5)nc4s3)CC2)nc2sccn21 ZINC000032760642 556320685 /nfs/dbraw/zinc/32/06/85/556320685.db2.gz NECLLPCGLMZFIU-UHFFFAOYSA-N 0 0 449.565 2.849 50 0 IFAARN CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccsc2C(=O)OC)cc1 ZINC000032760588 556320736 /nfs/dbraw/zinc/32/07/36/556320736.db2.gz UMKHEPHADCBBLR-UHFFFAOYSA-N 0 0 448.522 2.878 50 0 IFAARN COc1ccc(NC(=O)CN(C)CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000032753388 556322598 /nfs/dbraw/zinc/32/25/98/556322598.db2.gz HSDMDGJSCQOTGV-XMMPIXPASA-N 0 0 441.528 2.850 50 0 IFAARN NS(=O)(=O)Nc1cccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)c1 ZINC000032754043 556323185 /nfs/dbraw/zinc/32/31/85/556323185.db2.gz GRTPRHRMRMIUFX-UHFFFAOYSA-N 0 0 433.493 2.842 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@]2(C)CC2(Cl)Cl)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000032754867 556324118 /nfs/dbraw/zinc/32/41/18/556324118.db2.gz BOFZQPQMVMULMU-GUYCJALGSA-N 0 0 431.272 2.886 50 0 IFAARN COC(=O)c1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010232713 556327870 /nfs/dbraw/zinc/32/78/70/556327870.db2.gz GOSIQNLKQREXQH-QGZVFWFLSA-N 0 0 435.831 2.970 50 0 IFAARN COC(=O)c1ccc(NC(=O)C[C@@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 ZINC000010382155 556333864 /nfs/dbraw/zinc/33/38/64/556333864.db2.gz MFLINDRBUYWBND-KRWDZBQOSA-N 0 0 426.450 2.749 50 0 IFAARN Cc1ccc(-c2cc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c3c(C)noc3n2)s1 ZINC000032771068 556334866 /nfs/dbraw/zinc/33/48/66/556334866.db2.gz ADRFXQAACHQEDZ-UHFFFAOYSA-N 0 0 434.543 2.722 50 0 IFAARN O=C(NCc1cccnc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 ZINC000008660772 556340167 /nfs/dbraw/zinc/34/01/67/556340167.db2.gz GQFIFLGWAUGHKZ-UHFFFAOYSA-N 0 0 438.347 2.949 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)c(OC)c1 ZINC000013944080 556341037 /nfs/dbraw/zinc/34/10/37/556341037.db2.gz QQEOHRPXLRBKSZ-MRXNPFEDSA-N 0 0 427.476 2.545 50 0 IFAARN CCc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)cc2OC)cc1 ZINC000011661354 556343079 /nfs/dbraw/zinc/34/30/79/556343079.db2.gz MAUYCWFYZWMJSL-QFIPXVFZSA-N 0 0 439.556 2.615 50 0 IFAARN CCc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(OC)cc2OC)cc1 ZINC000011661353 556343083 /nfs/dbraw/zinc/34/30/83/556343083.db2.gz MAUYCWFYZWMJSL-JOCHJYFZSA-N 0 0 439.556 2.615 50 0 IFAARN CN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000032780658 556346026 /nfs/dbraw/zinc/34/60/26/556346026.db2.gz AHGZUYAQVCMWOR-QFBILLFUSA-N 0 0 434.945 2.847 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000013987035 556352254 /nfs/dbraw/zinc/35/22/54/556352254.db2.gz HPTRCKVVSZPRLZ-UHFFFAOYSA-N 0 0 432.470 2.622 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000013988313 556352527 /nfs/dbraw/zinc/35/25/27/556352527.db2.gz KMBYIGCNRINMLR-LJQANCHMSA-N 0 0 427.570 2.669 50 0 IFAARN CSc1ccc(CN2C[C@H](Sc3nccn3C)C[C@H]2C(=O)N2CCOCC2)cc1 ZINC000011786558 556353483 /nfs/dbraw/zinc/35/34/83/556353483.db2.gz FOEUGAGWERASQW-MOPGFXCFSA-N 0 0 432.615 2.736 50 0 IFAARN CCN(C[C@@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000011786354 556353541 /nfs/dbraw/zinc/35/35/41/556353541.db2.gz MXVSVYBLWLOAPC-NVQXNPDNSA-N 0 0 449.551 2.739 50 0 IFAARN O=C(Cn1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)N1CCOCC1 ZINC000014009935 556354452 /nfs/dbraw/zinc/35/44/52/556354452.db2.gz DOKXIDKRDMUWKK-STZFKDTASA-N 0 0 444.491 2.593 50 0 IFAARN C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000011788193 556354564 /nfs/dbraw/zinc/35/45/64/556354564.db2.gz WMHPQSNKHSKAFM-MRXNPFEDSA-N 0 0 441.482 2.871 50 0 IFAARN CCCc1c(C(=O)NCCCn2ccnc2)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 ZINC000011789764 556355374 /nfs/dbraw/zinc/35/53/74/556355374.db2.gz XZSXCVFMEWBIGR-UHFFFAOYSA-N 0 0 436.512 2.903 50 0 IFAARN COCCCN1C(=O)C[C@@](CC(=O)N(C)Cc2ccccn2)(c2ccccc2Cl)C1=O ZINC000011790908 556355737 /nfs/dbraw/zinc/35/57/37/556355737.db2.gz WDGMIOCCGWLRHE-QHCPKHFHSA-N 0 0 443.931 2.817 50 0 IFAARN COC(=O)c1cccc(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)[C@H](C)NC(C)=O)C3)c1 ZINC000011813614 556357290 /nfs/dbraw/zinc/35/72/90/556357290.db2.gz KAFNQUVLQFHWAI-KPZWWZAWSA-N 0 0 430.888 2.738 50 0 IFAARN Cc1ccc(-c2cc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c3ccccc3n2)o1 ZINC000014083492 556363322 /nfs/dbraw/zinc/36/33/22/556363322.db2.gz ZFVFAHUSKFPYHD-QGZVFWFLSA-N 0 0 439.537 2.748 50 0 IFAARN CCC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1 ZINC000011838353 556363357 /nfs/dbraw/zinc/36/33/57/556363357.db2.gz ICSGLXVXPHXCKL-LJQANCHMSA-N 0 0 430.545 2.924 50 0 IFAARN O=C(/C=C/c1cccc(Cl)c1)N1CCc2nnc(CNC(=O)c3ccccc3)n2CC1 ZINC000011838457 556363393 /nfs/dbraw/zinc/36/33/93/556363393.db2.gz UNKXAKCUZJXONT-MDZDMXLPSA-N 0 0 435.915 2.960 50 0 IFAARN O=C([C@@H]1COc2ccccc2O1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000032808566 556368853 /nfs/dbraw/zinc/36/88/53/556368853.db2.gz CZOORTRYKOWXOS-NRFANRHFSA-N 0 0 428.510 2.590 50 0 IFAARN CCOC(=O)C[C@@H]1COCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000011874866 556370713 /nfs/dbraw/zinc/37/07/13/556370713.db2.gz WBQAXPIRNJUNHU-HXUWFJFHSA-N 0 0 434.496 2.710 50 0 IFAARN COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H](C)n2nc(C)cc2C)C3)nn1 ZINC000011880461 556372418 /nfs/dbraw/zinc/37/24/18/556372418.db2.gz RMXOFXGSIGHYAN-WMLDXEAASA-N 0 0 425.464 2.786 50 0 IFAARN O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000014124655 556373244 /nfs/dbraw/zinc/37/32/44/556373244.db2.gz BRKIFLAANZBCDL-HNNXBMFYSA-N 0 0 441.557 2.762 50 0 IFAARN C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H]1c1cccs1 ZINC000014129611 556374451 /nfs/dbraw/zinc/37/44/51/556374451.db2.gz NOOGSQKYXXLPNB-VQIMIIECSA-N 0 0 449.598 2.933 50 0 IFAARN COc1cc(C(=O)NCCc2cn3ccccc3n2)ccc1OC1CCN(C(C)=O)CC1 ZINC000011935239 556377968 /nfs/dbraw/zinc/37/79/68/556377968.db2.gz UGGAHVMGBXITTC-UHFFFAOYSA-N 0 0 436.512 2.705 50 0 IFAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O ZINC000014163529 556379092 /nfs/dbraw/zinc/37/90/92/556379092.db2.gz ABCSOJCKOMWSJQ-DEOSSOPVSA-N 0 0 434.496 2.999 50 0 IFAARN C[C@H](Cn1cncn1)NC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000011947319 556380256 /nfs/dbraw/zinc/38/02/56/556380256.db2.gz MFKOVKOTNMOEGM-QGZVFWFLSA-N 0 0 431.544 2.645 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000014169999 556381298 /nfs/dbraw/zinc/38/12/98/556381298.db2.gz BHHQSFPHEMWYFN-UHFFFAOYSA-N 0 0 439.921 2.896 50 0 IFAARN O=C(C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)N1CCCC[C@H]1CO ZINC000011964336 556381532 /nfs/dbraw/zinc/38/15/32/556381532.db2.gz STAHAKFEWOPUFQ-FDDCHVKYSA-N 0 0 426.538 2.709 50 0 IFAARN CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]1Cc2cc(F)cc(-c3nc(C)cnc3C)c2O1 ZINC000011965111 556381904 /nfs/dbraw/zinc/38/19/04/556381904.db2.gz SHHATJWGGUPJIA-ICSRJNTNSA-N 0 0 428.508 2.870 50 0 IFAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000014181804 556382454 /nfs/dbraw/zinc/38/24/54/556382454.db2.gz KJXWYTAVAURERF-DEOSSOPVSA-N 0 0 439.512 2.885 50 0 IFAARN Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000011999300 556385303 /nfs/dbraw/zinc/38/53/03/556385303.db2.gz GQPBZKIEUTZBLF-OKILXGFUSA-N 0 0 431.562 2.674 50 0 IFAARN CCOC(=O)C[C@@H]1COCCN1C(=O)CCc1nnc(CCCCc2ccccc2)o1 ZINC000011999567 556385530 /nfs/dbraw/zinc/38/55/30/556385530.db2.gz OMOQDXRZZDYZQX-LJQANCHMSA-N 0 0 429.517 2.748 50 0 IFAARN O=C(NCCc1cnccn1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012020621 556386699 /nfs/dbraw/zinc/38/66/99/556386699.db2.gz YJPGHNAVEZHMHD-UHFFFAOYSA-N 0 0 428.540 2.998 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)CC1 ZINC000014190110 556387749 /nfs/dbraw/zinc/38/77/49/556387749.db2.gz NIPNUZHLIAQBGZ-UHFFFAOYSA-N 0 0 448.567 2.822 50 0 IFAARN O=C(CC[C@@H]1CCCN(C(=O)c2cnn3cccnc23)C1)NCc1ccc(F)c(F)c1 ZINC000012026811 556387828 /nfs/dbraw/zinc/38/78/28/556387828.db2.gz XCMJYDGBNVTZSL-HNNXBMFYSA-N 0 0 427.455 2.956 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCO2 ZINC000014196509 556388008 /nfs/dbraw/zinc/38/80/08/556388008.db2.gz IGLGGJFFMDGDDU-FQEVSTJZSA-N 0 0 448.497 2.518 50 0 IFAARN CC[C@H](C)C(=O)N1CCC([C@@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 ZINC000012035945 556389808 /nfs/dbraw/zinc/38/98/08/556389808.db2.gz VUVOYCWYNHDHQQ-NPMXOYFQSA-N 0 0 431.533 2.799 50 0 IFAARN C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(-n2cncn2)cc1 ZINC000014198968 556389960 /nfs/dbraw/zinc/38/99/60/556389960.db2.gz QCLBAZPGSZQEBJ-KRWDZBQOSA-N 0 0 449.536 2.918 50 0 IFAARN CCCn1c2ccccc2n(CCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1=O ZINC000014198642 556389967 /nfs/dbraw/zinc/38/99/67/556389967.db2.gz DZYJXBWDEHNBBG-INIZCTEOSA-N 0 0 429.542 2.884 50 0 IFAARN CNc1nc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nc2ccccc21 ZINC000014199050 556389969 /nfs/dbraw/zinc/38/99/69/556389969.db2.gz HLZVXKGKFLKFRL-UHFFFAOYSA-N 0 0 435.431 2.936 50 0 IFAARN O=C(COC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCCCC1 ZINC000014198578 556390044 /nfs/dbraw/zinc/39/00/44/556390044.db2.gz BNGGVJHEHNVSJE-UHFFFAOYSA-N 0 0 435.329 2.603 50 0 IFAARN O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014200572 556391049 /nfs/dbraw/zinc/39/10/49/556391049.db2.gz DAAZYDZNFQCUHP-HUUCEWRRSA-N 0 0 444.586 2.960 50 0 IFAARN O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014200574 556391054 /nfs/dbraw/zinc/39/10/54/556391054.db2.gz DAAZYDZNFQCUHP-LSDHHAIUSA-N 0 0 444.586 2.960 50 0 IFAARN COCCCN1C(=O)C[C@](CC(=O)N[C@@H](C)Cc2ccsc2)(c2ccccc2)C1=O ZINC000012041077 556391086 /nfs/dbraw/zinc/39/10/86/556391086.db2.gz NCAFGUAKUPOHFQ-GAJHUEQPSA-N 0 0 428.554 2.919 50 0 IFAARN Cc1ccc(SCCNC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1 ZINC000014200710 556391449 /nfs/dbraw/zinc/39/14/49/556391449.db2.gz SAXHGHMQIIBYDU-NRFANRHFSA-N 0 0 433.480 2.949 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1C ZINC000014201651 556392011 /nfs/dbraw/zinc/39/20/11/556392011.db2.gz JTLVFJPONMVEJS-UHFFFAOYSA-N 0 0 435.571 2.908 50 0 IFAARN Cc1noc(C)c1CC(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012054125 556393479 /nfs/dbraw/zinc/39/34/79/556393479.db2.gz LAXUMXRDHMQRSR-FQEVSTJZSA-N 0 0 439.560 2.597 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000032809397 556394074 /nfs/dbraw/zinc/39/40/74/556394074.db2.gz IKGQDVYUSWXRCM-FCHUYYIVSA-N 0 0 434.496 2.971 50 0 IFAARN COc1ccc(C[C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000014226344 556394768 /nfs/dbraw/zinc/39/47/68/556394768.db2.gz OZSKTAUQQWVXKV-OAQYLSRUSA-N 0 0 449.866 2.988 50 0 IFAARN COc1cc(OC)nc(NC(=O)COc2ccc(-c3csc(C)n3)cc2NC(C)=O)n1 ZINC000032810130 556395454 /nfs/dbraw/zinc/39/54/54/556395454.db2.gz IBVSSJIBCQGABC-UHFFFAOYSA-N 0 0 443.485 2.902 50 0 IFAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N([C@@H]1CCS(=O)(=O)C1)C3=O ZINC000012062828 556395804 /nfs/dbraw/zinc/39/58/04/556395804.db2.gz UVLBSEUMLIHOGL-FOIQADDNSA-N 0 0 439.489 2.848 50 0 IFAARN O=C([C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCN(c2ncccn2)CC1 ZINC000012072610 556396186 /nfs/dbraw/zinc/39/61/86/556396186.db2.gz IQFFUQNMOZDEEJ-QGZVFWFLSA-N 0 0 447.461 2.583 50 0 IFAARN CN(C)C(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2ccccc2O1 ZINC000032810580 556397046 /nfs/dbraw/zinc/39/70/46/556397046.db2.gz HCSATOVLJBZQKC-DYESRHJHSA-N 0 0 436.512 2.813 50 0 IFAARN CN(C)C(=O)[C@H]1CN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)c2ccccc2O1 ZINC000032810488 556397063 /nfs/dbraw/zinc/39/70/63/556397063.db2.gz NKMYHLINBRURQA-OAQYLSRUSA-N 0 0 446.507 2.619 50 0 IFAARN Cc1c(C(=O)NCc2cccc(C)n2)cnn1-c1nccc(-c2ccc3c(c2)OCO3)n1 ZINC000012079817 556398648 /nfs/dbraw/zinc/39/86/48/556398648.db2.gz FJFONHUPNXMSEH-UHFFFAOYSA-N 0 0 428.452 3.000 50 0 IFAARN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC(=O)Nc1ccccc1Br ZINC000014235468 556399162 /nfs/dbraw/zinc/39/91/62/556399162.db2.gz RNPPAEXVRRKKQO-FQEVSTJZSA-N 0 0 446.345 2.887 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000014237212 556399638 /nfs/dbraw/zinc/39/96/38/556399638.db2.gz WAHYGXONLHVXCA-UHFFFAOYSA-N 0 0 444.431 2.536 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CN3CCc4ccccc4[C@H]3C(=O)N3CCCC3)CC2)c1 ZINC000064611353 556402964 /nfs/dbraw/zinc/40/29/64/556402964.db2.gz LNZQRCFLSCZGPP-SANMLTNESA-N 0 0 446.595 2.865 50 0 IFAARN COc1ccc(OC)c([C@@H](C)N[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 ZINC000014244246 556403877 /nfs/dbraw/zinc/40/38/77/556403877.db2.gz PBBWDCYHFZPDJP-HZPDHXFCSA-N 0 0 449.573 2.940 50 0 IFAARN C[C@@H](CCc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014244476 556404219 /nfs/dbraw/zinc/40/42/19/556404219.db2.gz TZIAGXLHLAHCBS-INIZCTEOSA-N 0 0 448.541 2.589 50 0 IFAARN COc1ccc([C@H]2N(C(=O)CN3CCCC3)CCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000012420634 556404317 /nfs/dbraw/zinc/40/43/17/556404317.db2.gz NPGSJLDIAVZVJF-QHCPKHFHSA-N 0 0 443.569 2.713 50 0 IFAARN CCOc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000032579155 556406390 /nfs/dbraw/zinc/40/63/90/556406390.db2.gz HZFGVCWLLPEPDE-UHFFFAOYSA-N 0 0 434.587 2.830 50 0 IFAARN O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000014246541 556406579 /nfs/dbraw/zinc/40/65/79/556406579.db2.gz BDSKBRPHWHGMNR-RCCFBDPRSA-N 0 0 433.574 2.567 50 0 IFAARN O=C(COc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000014246817 556406879 /nfs/dbraw/zinc/40/68/79/556406879.db2.gz CJLMCONFXVKUJU-UHFFFAOYSA-N 0 0 446.422 2.756 50 0 IFAARN COc1ccc(CN2C(=O)[C@@]3(SC(NC(C)=O)=NN3C(C)=O)c3cccc(C)c32)cc1 ZINC000032594500 556407701 /nfs/dbraw/zinc/40/77/01/556407701.db2.gz DETHNYJJZMZASW-QFIPXVFZSA-N 0 0 438.509 2.706 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000032617792 556409032 /nfs/dbraw/zinc/40/90/32/556409032.db2.gz AJWFRQVMEXGNTC-JCAJYURWSA-N 0 0 433.533 2.927 50 0 IFAARN COc1cccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)c1 ZINC000014251406 556409079 /nfs/dbraw/zinc/40/90/79/556409079.db2.gz WKGXINIJIRNMLU-HXUWFJFHSA-N 0 0 446.301 2.541 50 0 IFAARN O=C(CSc1nnc(COc2ccc(F)cc2)o1)NC[C@H]1COc2ccccc2O1 ZINC000032671946 556414422 /nfs/dbraw/zinc/41/44/22/556414422.db2.gz JMEPINOVXHJWBR-HNNXBMFYSA-N 0 0 431.445 2.836 50 0 IFAARN Cc1ccc2nc(COC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cn2c1 ZINC000032829690 556416488 /nfs/dbraw/zinc/41/64/88/556416488.db2.gz PMYUMDWCWNAJKS-IRXDYDNUSA-N 0 0 443.525 2.798 50 0 IFAARN COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1OC ZINC000012946435 556417869 /nfs/dbraw/zinc/41/78/69/556417869.db2.gz SAKMJRLYVPELEG-TXPKVOOTSA-N 0 0 442.365 2.947 50 0 IFAARN Cc1cc(C)c(-c2cc(NC(=O)CN3C(=O)C(=O)N(C)C3=O)n(-c3ccccc3)n2)cc1C ZINC000032667636 556417912 /nfs/dbraw/zinc/41/79/12/556417912.db2.gz UFFWUNIWBZZGGZ-UHFFFAOYSA-N 0 0 445.479 2.824 50 0 IFAARN O=c1c(Cl)c(NCCCN2CCOCC2)cnn1CCOc1ccc(Cl)cc1 ZINC000032837480 556418731 /nfs/dbraw/zinc/41/87/31/556418731.db2.gz ZSULXGNHZCLLEN-UHFFFAOYSA-N 0 0 427.332 2.763 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)sc2c1 ZINC000014462627 556419313 /nfs/dbraw/zinc/41/93/13/556419313.db2.gz GJVRCSRXZGUPOV-AWEZNQCLSA-N 0 0 429.523 2.687 50 0 IFAARN COCCNC(=O)c1c2c(sc1NC(=O)CSc1nnc(C(C)C)[nH]1)CCCC2 ZINC000012972867 556419359 /nfs/dbraw/zinc/41/93/59/556419359.db2.gz LNDWMDJCURIQQE-UHFFFAOYSA-N 0 0 437.591 2.975 50 0 IFAARN C[C@H](C(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012974796 556420495 /nfs/dbraw/zinc/42/04/95/556420495.db2.gz ZFTBGWLUQNAHPA-OAHLLOKOSA-N 0 0 447.523 2.849 50 0 IFAARN O=C(N[C@H]1CCSc2ccccc21)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012975341 556421131 /nfs/dbraw/zinc/42/11/31/556421131.db2.gz FOHYOGJZTUSWBV-KRWDZBQOSA-N 0 0 436.530 2.814 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000012975693 556421390 /nfs/dbraw/zinc/42/13/90/556421390.db2.gz RGFQYKLJWSCWHN-MRXNPFEDSA-N 0 0 444.329 2.861 50 0 IFAARN CCOC(=O)c1nn(CCc2scnc2C)c2c1CN(C(=O)c1cc(CC)on1)CC2 ZINC000014533188 556421986 /nfs/dbraw/zinc/42/19/86/556421986.db2.gz LGPQCZNPLJINLM-UHFFFAOYSA-N 0 0 443.529 2.816 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000012977136 556422451 /nfs/dbraw/zinc/42/24/51/556422451.db2.gz IHTYPBTXJYSDDY-GOSISDBHSA-N 0 0 448.566 2.683 50 0 IFAARN O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012977146 556422528 /nfs/dbraw/zinc/42/25/28/556422528.db2.gz KHZVWTQIMOZBCG-UHFFFAOYSA-N 0 0 436.917 2.648 50 0 IFAARN O=C1N[C@@H](CSCc2ccccc2)C(=O)N2CCN(Cc3ccc4ncccc4c3)C[C@H]12 ZINC000014534871 556422831 /nfs/dbraw/zinc/42/28/31/556422831.db2.gz CHQAKAXFZKDFMQ-XZOQPEGZSA-N 0 0 446.576 2.679 50 0 IFAARN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccc(F)c1 ZINC000012979242 556423708 /nfs/dbraw/zinc/42/37/08/556423708.db2.gz ZEKVKHXJRCAJNU-UHFFFAOYSA-N 0 0 433.461 2.547 50 0 IFAARN CCc1cccc(NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)c1 ZINC000012979247 556423711 /nfs/dbraw/zinc/42/37/11/556423711.db2.gz TVZOOBFZFBLSHD-UHFFFAOYSA-N 0 0 443.525 2.970 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012981047 556424424 /nfs/dbraw/zinc/42/44/24/556424424.db2.gz HNSCMHADQRCNNT-UHFFFAOYSA-N 0 0 442.516 2.775 50 0 IFAARN CSc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012981108 556424432 /nfs/dbraw/zinc/42/44/32/556424432.db2.gz GOQOUDPAXGQLFR-UHFFFAOYSA-N 0 0 445.610 2.842 50 0 IFAARN COc1cc([C@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccco2)ccc1OC(F)F ZINC000012982023 556424787 /nfs/dbraw/zinc/42/47/87/556424787.db2.gz ZVVLVAPDIQHAKQ-IRXDYDNUSA-N 0 0 446.410 2.814 50 0 IFAARN COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@@H]2NC(=O)c2ccco2)ccc1OC(F)F ZINC000012982021 556424924 /nfs/dbraw/zinc/42/49/24/556424924.db2.gz ZVVLVAPDIQHAKQ-IAGOWNOFSA-N 0 0 446.410 2.814 50 0 IFAARN CC[C@@H](C)CNc1cc(C(=O)NCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014540417 556425200 /nfs/dbraw/zinc/42/52/00/556425200.db2.gz HHYVEJFZWMOOBG-QGZVFWFLSA-N 0 0 433.578 2.556 50 0 IFAARN COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(C(=O)c3ccco3)CC2=O)cc1 ZINC000014541527 556425521 /nfs/dbraw/zinc/42/55/21/556425521.db2.gz RIQGDNKPEZXOBS-OAQYLSRUSA-N 0 0 435.480 2.753 50 0 IFAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012983455 556425716 /nfs/dbraw/zinc/42/57/16/556425716.db2.gz UPIJMJLBEDGDDN-XSXQVXRUSA-N 0 0 434.558 2.567 50 0 IFAARN COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(Cc3cnn(C)c3C)CC2=O)cc1 ZINC000014541601 556425862 /nfs/dbraw/zinc/42/58/62/556425862.db2.gz ZJYNNOLMGWKUTQ-DEOSSOPVSA-N 0 0 449.555 2.562 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)CN1CCC[C@@H]1c1ccc3c(c1)OCCO3)CCC2 ZINC000012985680 556426566 /nfs/dbraw/zinc/42/65/66/556426566.db2.gz QDEOLZNDDOGUSV-OAHLLOKOSA-N 0 0 427.526 2.883 50 0 IFAARN CCn1c2ccc(C(=O)OCC(=O)c3ccc(CCCNC(C)=O)cc3)cc2nc(C)c1=O ZINC000012987529 556427749 /nfs/dbraw/zinc/42/77/49/556427749.db2.gz WPFHXCYMMPHTOC-UHFFFAOYSA-N 0 0 449.507 2.833 50 0 IFAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1cc(Cl)ccc1Cl ZINC000012988490 556427864 /nfs/dbraw/zinc/42/78/64/556427864.db2.gz HBQSILPFCFDFJL-UHFFFAOYSA-N 0 0 430.313 2.578 50 0 IFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000032843035 556428220 /nfs/dbraw/zinc/42/82/20/556428220.db2.gz WGHDEEWAECJISX-HSZRJFAPSA-N 0 0 432.524 2.636 50 0 IFAARN Cc1ccc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1F ZINC000012993595 556429379 /nfs/dbraw/zinc/42/93/79/556429379.db2.gz COAXRUVGAQADKO-UHFFFAOYSA-N 0 0 447.488 2.855 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1NC(C)=O ZINC000012994233 556429935 /nfs/dbraw/zinc/42/99/35/556429935.db2.gz KVRAJMRXNVYXBS-SFHVURJKSA-N 0 0 432.498 2.951 50 0 IFAARN O=C(NCCOc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012994178 556429960 /nfs/dbraw/zinc/42/99/60/556429960.db2.gz VGMPXFOZUIZLCI-UHFFFAOYSA-N 0 0 441.912 2.574 50 0 IFAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000012995027 556430222 /nfs/dbraw/zinc/43/02/22/556430222.db2.gz JMRAEVFSGWFEKB-INIZCTEOSA-N 0 0 430.526 2.736 50 0 IFAARN Cc1cc(C)c(NC(=O)CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c(C)c1 ZINC000012995285 556430605 /nfs/dbraw/zinc/43/06/05/556430605.db2.gz MWSUKIXERXWWHR-INIZCTEOSA-N 0 0 429.542 2.691 50 0 IFAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc2c(c1)OCCO2 ZINC000012995585 556430725 /nfs/dbraw/zinc/43/07/25/556430725.db2.gz VZYYNGIULFODIY-OAHLLOKOSA-N 0 0 448.516 2.875 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000012997301 556431838 /nfs/dbraw/zinc/43/18/38/556431838.db2.gz MLARCXHJJFRQCC-UHFFFAOYSA-N 0 0 449.504 2.977 50 0 IFAARN Cc1cc2ncnn2c(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000032853446 556431958 /nfs/dbraw/zinc/43/19/58/556431958.db2.gz UHAODOMZPLJICV-UHFFFAOYSA-N 0 0 434.422 2.697 50 0 IFAARN CN(CC(=O)N1CCN(Cc2ccccc2F)CC1)Cc1cnn(Cc2ccccc2)c1 ZINC000012999997 556432643 /nfs/dbraw/zinc/43/26/43/556432643.db2.gz UREQEMSMTPUGGK-UHFFFAOYSA-N 0 0 435.547 2.847 50 0 IFAARN Cc1cc(=O)c(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)nn1-c1ccccc1 ZINC000032854773 556432861 /nfs/dbraw/zinc/43/28/61/556432861.db2.gz GRTAODNPGIWQAX-UHFFFAOYSA-N 0 0 425.872 2.938 50 0 IFAARN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000032854727 556432911 /nfs/dbraw/zinc/43/29/11/556432911.db2.gz ALQKPOZZQKUVAA-UHFFFAOYSA-N 0 0 425.872 2.740 50 0 IFAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000032854757 556432923 /nfs/dbraw/zinc/43/29/23/556432923.db2.gz BPGIALMKHPCBCV-UHFFFAOYSA-N 0 0 439.855 2.926 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)Nc1cccc(N2CCCC2=O)c1 ZINC000032856051 556433303 /nfs/dbraw/zinc/43/33/03/556433303.db2.gz ZAGXJJWCLFHOLL-RUZDIDTESA-N 0 0 446.507 2.926 50 0 IFAARN CC(C)[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1cccs1 ZINC000032858301 556434881 /nfs/dbraw/zinc/43/48/81/556434881.db2.gz SZUUCWOEEAHUKW-KRWDZBQOSA-N 0 0 438.600 2.888 50 0 IFAARN COc1cc(OC)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000014716608 556435530 /nfs/dbraw/zinc/43/55/30/556435530.db2.gz JSGXWNRWSSKNOA-UHFFFAOYSA-N 0 0 441.889 2.931 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000032850755 556435963 /nfs/dbraw/zinc/43/59/63/556435963.db2.gz FMWCYTBTRILYCE-UHFFFAOYSA-N 0 0 435.933 2.880 50 0 IFAARN COC(=O)c1ccc(COC(=O)[C@@H](CCSC)NC(=O)COc2ccccc2)cc1 ZINC000013013903 556436654 /nfs/dbraw/zinc/43/66/54/556436654.db2.gz GJAFOZGVNTYJDH-LJQANCHMSA-N 0 0 431.510 2.833 50 0 IFAARN O=C(Nc1ccccc1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N2C1 ZINC000014731429 556436803 /nfs/dbraw/zinc/43/68/03/556436803.db2.gz BIQWSZZRYAETEP-WBAXXEDZSA-N 0 0 447.322 2.826 50 0 IFAARN CCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cccnc3Oc3ccc(Cl)cc3)CN2C1=O ZINC000014744383 556440264 /nfs/dbraw/zinc/44/02/64/556440264.db2.gz XEJNKEOOGKYERG-WBAXXEDZSA-N 0 0 442.903 2.525 50 0 IFAARN CC(C)N1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)c2cn[nH]c2)CC1=O ZINC000014745350 556440616 /nfs/dbraw/zinc/44/06/16/556440616.db2.gz PGWNJYUTIIWGPZ-KRWDZBQOSA-N 0 0 440.422 2.587 50 0 IFAARN CCn1cc(CN2CC(=O)N(C(C)C)C[C@H](OCc3cc(OC)cc(OC)c3)C2)c(C)n1 ZINC000014745077 556440658 /nfs/dbraw/zinc/44/06/58/556440658.db2.gz ZPPVEEIDIUPWSE-HSZRJFAPSA-N 0 0 444.576 2.867 50 0 IFAARN Cc1cc(=O)n2nc(COC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)sc2n1 ZINC000013028849 556441590 /nfs/dbraw/zinc/44/15/90/556441590.db2.gz VAOKMCIPUIIFGW-SFHVURJKSA-N 0 0 448.504 2.544 50 0 IFAARN CN(C)C(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000013039093 556445102 /nfs/dbraw/zinc/44/51/02/556445102.db2.gz AGJKCXMQGHPOQQ-UHFFFAOYSA-N 0 0 435.274 2.712 50 0 IFAARN Cc1ccccc1COc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c(CO)cc1=O ZINC000011027723 556445187 /nfs/dbraw/zinc/44/51/87/556445187.db2.gz CROISHHKCPJMKP-UHFFFAOYSA-N 0 0 436.464 2.638 50 0 IFAARN CCOC(=O)C1=C(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)NC(=O)N[C@@H]1C ZINC000013039739 556445686 /nfs/dbraw/zinc/44/56/86/556445686.db2.gz LXPACDAVPOEDLK-GFCCVEGCSA-N 0 0 444.561 2.567 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000013040265 556445831 /nfs/dbraw/zinc/44/58/31/556445831.db2.gz RKGGJJNUJNVRFA-UHFFFAOYSA-N 0 0 426.542 2.553 50 0 IFAARN CC(=O)Nc1nc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cs1 ZINC000013040254 556445943 /nfs/dbraw/zinc/44/59/43/556445943.db2.gz OKRFIDJZUNIQEW-UHFFFAOYSA-N 0 0 430.555 2.761 50 0 IFAARN COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013040889 556446936 /nfs/dbraw/zinc/44/69/36/556446936.db2.gz RNKFLRLOUGUTHL-UHFFFAOYSA-N 0 0 442.459 2.790 50 0 IFAARN C[C@H](NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000032862985 556448020 /nfs/dbraw/zinc/44/80/20/556448020.db2.gz LFQANQQCUDBCRQ-ZDUSSCGKSA-N 0 0 442.994 2.637 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013056453 556448933 /nfs/dbraw/zinc/44/89/33/556448933.db2.gz UKJJASCVMDWAIL-QAPCUYQASA-N 0 0 447.523 2.707 50 0 IFAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C(=O)NCC(F)(F)F ZINC000013057070 556449176 /nfs/dbraw/zinc/44/91/76/556449176.db2.gz IFJJMPJPPYGXTA-LLVKDONJSA-N 0 0 448.394 2.850 50 0 IFAARN COCCNS(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000032868733 556449254 /nfs/dbraw/zinc/44/92/54/556449254.db2.gz ALMNYUSTXOXAEO-UHFFFAOYSA-N 0 0 434.445 2.762 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OC)c(OC)c2)c1 ZINC000013058582 556449691 /nfs/dbraw/zinc/44/96/91/556449691.db2.gz NEKNAELBXPFREO-UHFFFAOYSA-N 0 0 449.573 2.805 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2cc(-c3ccccc3)no2)cc1 ZINC000032865401 556450353 /nfs/dbraw/zinc/45/03/53/556450353.db2.gz NGRPVDGJEIMSBK-AWEZNQCLSA-N 0 0 443.481 2.710 50 0 IFAARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)C1(c2cccc(F)c2)CCCC1 ZINC000032865717 556451002 /nfs/dbraw/zinc/45/10/02/556451002.db2.gz YJOQZGFRXWHXNT-UHFFFAOYSA-N 0 0 446.544 2.975 50 0 IFAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccccc1I ZINC000028327654 556452309 /nfs/dbraw/zinc/45/23/09/556452309.db2.gz NJMPUUWCXBZCGS-LLVKDONJSA-N 0 0 444.294 2.772 50 0 IFAARN COCCCN1C(=O)C[C@](CC(=O)N(C)Cc2ccsc2)(c2ccccc2OC)C1=O ZINC000014880611 556453507 /nfs/dbraw/zinc/45/35/07/556453507.db2.gz DJAHCDUYDTUWKI-HSZRJFAPSA-N 0 0 444.553 2.839 50 0 IFAARN CCn1c(-c2ccco2)nn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1=S ZINC000013072168 556454047 /nfs/dbraw/zinc/45/40/47/556454047.db2.gz REVFEVZTWAOZRN-UHFFFAOYSA-N 0 0 433.559 2.658 50 0 IFAARN OCCN1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(F)c3)n2)CC1 ZINC000028406140 556454030 /nfs/dbraw/zinc/45/40/30/556454030.db2.gz GOLRJFUNZUSRMJ-UHFFFAOYSA-N 0 0 433.491 2.813 50 0 IFAARN Cc1ccccc1-n1cnn(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1=S ZINC000013073149 556454465 /nfs/dbraw/zinc/45/44/65/556454465.db2.gz IHHKGIXGPJJEAP-UHFFFAOYSA-N 0 0 443.598 2.817 50 0 IFAARN CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000013075438 556455276 /nfs/dbraw/zinc/45/52/76/556455276.db2.gz PLMLFDNTFWGOJH-INIZCTEOSA-N 0 0 446.525 2.663 50 0 IFAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(-c2ccccc2Cl)n1N ZINC000013074848 556455302 /nfs/dbraw/zinc/45/53/02/556455302.db2.gz JSEIEXVMOZGIRY-UHFFFAOYSA-N 0 0 448.911 2.641 50 0 IFAARN O=C(CN1CCN(C(=O)[C@H](c2ccccc2)N2CCc3ccccc32)CC1)N1CCCCC1 ZINC000072275235 556455732 /nfs/dbraw/zinc/45/57/32/556455732.db2.gz ARYMYBAONQMVCQ-SANMLTNESA-N 0 0 446.595 2.947 50 0 IFAARN CC(=O)N1CCN(c2ccc(NC(=O)c3nc4ccccc4n(C)c3=O)cc2Cl)CC1 ZINC000032958431 556456115 /nfs/dbraw/zinc/45/61/15/556456115.db2.gz ILWNHPLWYBVQGY-UHFFFAOYSA-N 0 0 439.903 2.508 50 0 IFAARN CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)OCCCO3)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000028621986 556457358 /nfs/dbraw/zinc/45/73/58/556457358.db2.gz YAYRMIHIUVMFAE-HNNXBMFYSA-N 0 0 433.530 2.954 50 0 IFAARN C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013097281 556457884 /nfs/dbraw/zinc/45/78/84/556457884.db2.gz IGHKKTQMLJVTOO-OALUTQOASA-N 0 0 427.570 2.500 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(NC(C)C)sc3=S)CC2)cc1 ZINC000013097653 556458352 /nfs/dbraw/zinc/45/83/52/556458352.db2.gz OESBAJKHWNFEBC-UHFFFAOYSA-N 0 0 427.621 2.767 50 0 IFAARN COc1ccc(C)cc1NC(=O)CN1CCNC(=O)[C@@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000028721353 556459305 /nfs/dbraw/zinc/45/93/05/556459305.db2.gz YQFKUEXLFDWSOB-DEOSSOPVSA-N 0 0 447.539 2.918 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)N1c2ccccc2C[C@@H]1C ZINC000028721449 556459454 /nfs/dbraw/zinc/45/94/54/556459454.db2.gz CPQOUQXNDVHRHR-GKVSMKOHSA-N 0 0 443.551 2.940 50 0 IFAARN CCOc1ccc(CCNC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1OCC ZINC000013100539 556459811 /nfs/dbraw/zinc/45/98/11/556459811.db2.gz GGLKATDMKJMAFG-UHFFFAOYSA-N 0 0 429.546 2.990 50 0 IFAARN CC(C)Cn1cnc2c1c(=O)n(CC(=O)NC1CCCCC1)c(=O)n2Cc1ccccc1 ZINC000013102560 556461377 /nfs/dbraw/zinc/46/13/77/556461377.db2.gz NPVXHLQCJSCQFB-UHFFFAOYSA-N 0 0 437.544 2.513 50 0 IFAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000028875800 556462843 /nfs/dbraw/zinc/46/28/43/556462843.db2.gz YXKYSMUCCPYEGV-HUUFRCNWSA-N 0 0 425.573 2.509 50 0 IFAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000013109548 556462923 /nfs/dbraw/zinc/46/29/23/556462923.db2.gz RUXZJOVKTLIGTK-ZIAGYGMSSA-N 0 0 426.344 2.878 50 0 IFAARN C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O ZINC000013110045 556463917 /nfs/dbraw/zinc/46/39/17/556463917.db2.gz NMOKNNZSMRJLTH-FQEVSTJZSA-N 0 0 449.294 2.786 50 0 IFAARN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@@]2(CCCc3sccc32)C1=O ZINC000013113110 556466141 /nfs/dbraw/zinc/46/61/41/556466141.db2.gz LUVWFUYTJOUCGW-XUSGNXJCSA-N 0 0 427.482 2.630 50 0 IFAARN CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H](c2nccn2C)c2ccccc2F)c1 ZINC000029087489 556466964 /nfs/dbraw/zinc/46/69/64/556466964.db2.gz XAQADCRFXBXASB-LJQANCHMSA-N 0 0 430.505 2.765 50 0 IFAARN Cc1occc1-c1nnc(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)n1C ZINC000013114832 556467606 /nfs/dbraw/zinc/46/76/06/556467606.db2.gz FWXLPYBPTZAUFA-MRXNPFEDSA-N 0 0 446.554 2.696 50 0 IFAARN O=C(Cn1cnc2sccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013115960 556468511 /nfs/dbraw/zinc/46/85/11/556468511.db2.gz ZJJMCWSRRSRDFP-UHFFFAOYSA-N 0 0 446.554 2.661 50 0 IFAARN O=C(NCCCN1CCCC1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000013116911 556468959 /nfs/dbraw/zinc/46/89/59/556468959.db2.gz AWQZOFWJOIBIPS-UHFFFAOYSA-N 0 0 441.981 2.647 50 0 IFAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3OC(F)(F)F)c2)CC1 ZINC000029185790 556469603 /nfs/dbraw/zinc/46/96/03/556469603.db2.gz XNJUIFKDIXPRDA-UHFFFAOYSA-N 0 0 443.447 2.774 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3nccn3C(F)F)C2)s1 ZINC000029183426 556469629 /nfs/dbraw/zinc/46/96/29/556469629.db2.gz JMIRQKRKSHGRNM-ZDUSSCGKSA-N 0 0 432.518 2.707 50 0 IFAARN O=C(CSCc1cc(=O)n2ccsc2n1)NCc1ccc(Cn2cccn2)cc1 ZINC000029232099 556470667 /nfs/dbraw/zinc/47/06/67/556470667.db2.gz FSGJFEOSGVIQLF-UHFFFAOYSA-N 0 0 425.539 2.550 50 0 IFAARN O=C(c1cc(F)ccc1Br)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000029304975 556471872 /nfs/dbraw/zinc/47/18/72/556471872.db2.gz ZJJUTSHLHBLYOJ-UHFFFAOYSA-N 0 0 445.292 2.554 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CCSc2nncn2-c2ccccc2F)cc1 ZINC000032871123 556473599 /nfs/dbraw/zinc/47/35/99/556473599.db2.gz QMXNCAJSPFIAPV-UHFFFAOYSA-N 0 0 449.533 2.778 50 0 IFAARN COCC(=O)Nc1cc2ncn(Cc3ccc(F)cc3)c2c(C(=O)N2CCSCC2)c1 ZINC000014990444 556474769 /nfs/dbraw/zinc/47/47/69/556474769.db2.gz NXHYUAGJRUHCNO-UHFFFAOYSA-N 0 0 442.516 2.998 50 0 IFAARN CCOc1ccc(NC(=O)CN2CCn3cccc3[C@H]2C)cc1S(=O)(=O)N1CCCC1 ZINC000013126010 556475126 /nfs/dbraw/zinc/47/51/26/556475126.db2.gz YAAKRBBIXQSODC-QGZVFWFLSA-N 0 0 446.573 2.687 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CC[C@@]2(Cc3ccc(SC)cc3)CCC(=O)N2)CC1 ZINC000014992448 556475773 /nfs/dbraw/zinc/47/57/73/556475773.db2.gz UBXBSEFPBYWZRZ-JOCHJYFZSA-N 0 0 433.574 2.681 50 0 IFAARN O=C(COc1ccc(Cl)cc1Cl)NC1=NC2=NC(=O)C[C@H](c3ccccc3)N2N1 ZINC000013127379 556476052 /nfs/dbraw/zinc/47/60/52/556476052.db2.gz GYBKTQANUDFVHD-CQSZACIVSA-N 0 0 432.267 2.692 50 0 IFAARN O=C(C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1 ZINC000014993051 556476156 /nfs/dbraw/zinc/47/61/56/556476156.db2.gz SDNURDMSHUZZPR-QHCPKHFHSA-N 0 0 445.563 2.842 50 0 IFAARN O=C(CN1C[C@@H](c2ccccc2)CC1=O)NC[C@@H]1Cc2cc(F)cc(-c3cnccn3)c2O1 ZINC000014993141 556476213 /nfs/dbraw/zinc/47/62/13/556476213.db2.gz HTKRQLCFXICPAP-ICSRJNTNSA-N 0 0 446.482 2.719 50 0 IFAARN Cc1ccc(-c2noc(CCC(=O)N(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000029480009 556476387 /nfs/dbraw/zinc/47/63/87/556476387.db2.gz ULIXMLDYUUNWGQ-OAHLLOKOSA-N 0 0 428.514 2.845 50 0 IFAARN COC(=O)[C@@H]1CCCN1C(=O)CC[C@@]1(Cc2ccc(OC)c3ccccc23)CCC(=O)N1 ZINC000014994570 556477231 /nfs/dbraw/zinc/47/72/31/556477231.db2.gz WRADFQADSGAOII-NBGIEHNGSA-N 0 0 438.524 2.984 50 0 IFAARN CCOC(=O)C1=C(CN2CCO[C@H](c3ccc(F)cc3)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000029539258 556477612 /nfs/dbraw/zinc/47/76/12/556477612.db2.gz NJFLXUQZVZHYAB-AZUAARDMSA-N 0 0 429.448 2.663 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccnc(N4CCCC4)c3)C2)s1 ZINC000029559206 556477931 /nfs/dbraw/zinc/47/79/31/556477931.db2.gz UNYDSEPDFXLLON-GOSISDBHSA-N 0 0 448.614 2.769 50 0 IFAARN C[C@H]1CN(S(=O)(=O)CCNc2nc(-c3ccncc3)nc3ccccc32)C[C@H](C)O1 ZINC000029625495 556479084 /nfs/dbraw/zinc/47/90/84/556479084.db2.gz CKVSNJVNDXVNSE-HOTGVXAUSA-N 0 0 427.530 2.543 50 0 IFAARN COc1ccccc1CN1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000015000026 556479359 /nfs/dbraw/zinc/47/93/59/556479359.db2.gz FYDIWTYUXOMDGF-IBGZPJMESA-N 0 0 435.524 2.792 50 0 IFAARN Cc1c(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cnn1-c1ccc(C)cc1 ZINC000029671516 556479697 /nfs/dbraw/zinc/47/96/97/556479697.db2.gz BQKRHBLWYVBSDZ-UHFFFAOYSA-N 0 0 432.480 2.816 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000013133051 556481026 /nfs/dbraw/zinc/48/10/26/556481026.db2.gz IDOKZVLWQAAHJT-DNVCBOLYSA-N 0 0 434.514 2.610 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(CC(C)C)c1=O ZINC000013133646 556481030 /nfs/dbraw/zinc/48/10/30/556481030.db2.gz RCYSCDWQCWDHLA-UHFFFAOYSA-N 0 0 441.532 2.627 50 0 IFAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1CCCN(c2cnccn2)C1 ZINC000029754359 556481556 /nfs/dbraw/zinc/48/15/56/556481556.db2.gz CZAMDDXCMZPWKX-CQSZACIVSA-N 0 0 437.422 2.689 50 0 IFAARN COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CCN(C(C)=O)CC3)c2C2CC2)n1 ZINC000015006759 556481937 /nfs/dbraw/zinc/48/19/37/556481937.db2.gz BMESDLGQLTUJKJ-UHFFFAOYSA-N 0 0 446.511 2.520 50 0 IFAARN C[C@H]1Oc2ccc(NC(=O)CCCN(C)S(=O)(=O)c3ccc(F)cc3)cc2NC1=O ZINC000029770627 556482201 /nfs/dbraw/zinc/48/22/01/556482201.db2.gz MWXAUTZVMXFPMX-CYBMUJFWSA-N 0 0 435.477 2.585 50 0 IFAARN C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1nc(-c2cccnc2)no1 ZINC000032876086 556482907 /nfs/dbraw/zinc/48/29/07/556482907.db2.gz JKWCSJSXJUWXMO-LLVKDONJSA-N 0 0 436.877 2.953 50 0 IFAARN CCOc1cc(C(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)cc(OCC)c1OCC ZINC000013135060 556483110 /nfs/dbraw/zinc/48/31/10/556483110.db2.gz LBPPJSQQSHECHC-UHFFFAOYSA-N 0 0 438.502 2.791 50 0 IFAARN Cc1cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c2ccccc2n1 ZINC000013135738 556483669 /nfs/dbraw/zinc/48/36/69/556483669.db2.gz GGLJALRHOKSLPV-UHFFFAOYSA-N 0 0 441.509 2.897 50 0 IFAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3OC(F)F)n2N)cc1 ZINC000013137166 556484128 /nfs/dbraw/zinc/48/41/28/556484128.db2.gz AAGJTPRCEUOAMW-UHFFFAOYSA-N 0 0 435.456 2.924 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000013137871 556484732 /nfs/dbraw/zinc/48/47/32/556484732.db2.gz BXPSSPHOYIXITE-UHFFFAOYSA-N 0 0 428.432 2.861 50 0 IFAARN O=C(c1cccnc1N1CCOCC1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000029955638 556487287 /nfs/dbraw/zinc/48/72/87/556487287.db2.gz NCRQEXJDNAPKPH-UHFFFAOYSA-N 0 0 435.450 2.685 50 0 IFAARN CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@H](c2ccccc2)C1 ZINC000030029023 556489909 /nfs/dbraw/zinc/48/99/09/556489909.db2.gz RPQHQFJRDLXFRO-QFIPXVFZSA-N 0 0 427.570 2.990 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000013148685 556490079 /nfs/dbraw/zinc/49/00/79/556490079.db2.gz VQODOCVZTFPRQB-FQEVSTJZSA-N 0 0 444.871 2.851 50 0 IFAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000013149122 556490722 /nfs/dbraw/zinc/49/07/22/556490722.db2.gz QUVCWTOXRRVONE-DMZKTXOQSA-N 0 0 427.432 2.781 50 0 IFAARN O=C(NCCCn1cccn1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000030171527 556490905 /nfs/dbraw/zinc/49/09/05/556490905.db2.gz VEBYHSIPTPDXSU-UHFFFAOYSA-N 0 0 444.479 2.509 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCCCn1cccn1 ZINC000030171736 556491014 /nfs/dbraw/zinc/49/10/14/556491014.db2.gz MMFRIMUDOMFOFB-MRXNPFEDSA-N 0 0 439.379 2.704 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCSCc3ccco3)c2)C[C@H](C)O1 ZINC000013149911 556491542 /nfs/dbraw/zinc/49/15/42/556491542.db2.gz ZPRIMQCHBBWGQF-IYBDPMFKSA-N 0 0 438.571 2.741 50 0 IFAARN CCOC(=O)Nc1ccc2c(COC(=O)c3ccc(-n4cnnn4)cc3)cc(=O)oc2c1 ZINC000013149881 556491583 /nfs/dbraw/zinc/49/15/83/556491583.db2.gz IAHOBNUIMMWENF-UHFFFAOYSA-N 0 0 435.396 2.694 50 0 IFAARN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000013150052 556492009 /nfs/dbraw/zinc/49/20/09/556492009.db2.gz PJJSIDAFCBJVOW-NRFANRHFSA-N 0 0 435.446 2.884 50 0 IFAARN CCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000015065087 556492528 /nfs/dbraw/zinc/49/25/28/556492528.db2.gz UKAMZWZBCFSQKV-QGZVFWFLSA-N 0 0 444.981 2.784 50 0 IFAARN O=C(NCc1cccnc1N1CCOCC1)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000030309692 556492683 /nfs/dbraw/zinc/49/26/83/556492683.db2.gz ROPYRPKJJUOKCT-UHFFFAOYSA-N 0 0 446.486 2.964 50 0 IFAARN COCc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000015066694 556493130 /nfs/dbraw/zinc/49/31/30/556493130.db2.gz DWCNIYVRLKDOIC-UHFFFAOYSA-N 0 0 438.507 2.781 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O)c1ccc2c(c1)OCCO2 ZINC000030345908 556493319 /nfs/dbraw/zinc/49/33/19/556493319.db2.gz CGCKCJBWOPNUJO-LFPIHBKWSA-N 0 0 449.463 2.848 50 0 IFAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000013163587 556493975 /nfs/dbraw/zinc/49/39/75/556493975.db2.gz KJXIRKBALBNSBW-FATZIPQQSA-N 0 0 439.468 2.651 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000011070118 556494732 /nfs/dbraw/zinc/49/47/32/556494732.db2.gz DONVQIRHWCNEQO-CQSZACIVSA-N 0 0 446.454 2.922 50 0 IFAARN COc1ccc(N(Cc2cccs2)C(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC000013163918 556495127 /nfs/dbraw/zinc/49/51/27/556495127.db2.gz PUBKDAUKWZAGSV-UHFFFAOYSA-N 0 0 448.508 2.743 50 0 IFAARN CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1CN1CCC(C(N)=O)CC1 ZINC000015071561 556496370 /nfs/dbraw/zinc/49/63/70/556496370.db2.gz BNIFXKSNVONIRT-UHFFFAOYSA-N 0 0 441.919 2.948 50 0 IFAARN COc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000013165035 556497631 /nfs/dbraw/zinc/49/76/31/556497631.db2.gz RNFCQZZUFREQQI-KRWDZBQOSA-N 0 0 435.546 2.542 50 0 IFAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000013164948 556497764 /nfs/dbraw/zinc/49/77/64/556497764.db2.gz IWYSFFGPXBKZGY-QWHCGFSZSA-N 0 0 445.570 2.545 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 ZINC000013165329 556498336 /nfs/dbraw/zinc/49/83/36/556498336.db2.gz JMDIKTVMRYULLA-QFIPXVFZSA-N 0 0 427.570 2.665 50 0 IFAARN CS(=O)(=O)c1cccc(NC(=O)CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 ZINC000030590378 556499079 /nfs/dbraw/zinc/49/90/79/556499079.db2.gz LRLHLBOHZHVJIS-IBGZPJMESA-N 0 0 444.557 2.705 50 0 IFAARN COc1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015085450 556502250 /nfs/dbraw/zinc/50/22/50/556502250.db2.gz BBPDTMXIDLFGQP-UHFFFAOYSA-N 0 0 439.537 2.793 50 0 IFAARN COc1cc([C@@H]2O[C@@H](C)Cn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000015106192 556503862 /nfs/dbraw/zinc/50/38/62/556503862.db2.gz PQMKEIHMJPKBMK-PSLXWICFSA-N 0 0 447.491 2.928 50 0 IFAARN COc1ccc([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1OC ZINC000015110181 556504788 /nfs/dbraw/zinc/50/47/88/556504788.db2.gz NWDCQZUNVDOHNJ-HSZRJFAPSA-N 0 0 447.491 2.843 50 0 IFAARN COc1ccc([C@@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1OC ZINC000015110178 556504979 /nfs/dbraw/zinc/50/49/79/556504979.db2.gz NWDCQZUNVDOHNJ-QHCPKHFHSA-N 0 0 447.491 2.843 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)c1 ZINC000013425503 556505443 /nfs/dbraw/zinc/50/54/43/556505443.db2.gz JEGPERZRWWGNJY-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCn2c3ccccc3nc21 ZINC000030793606 556506100 /nfs/dbraw/zinc/50/61/00/556506100.db2.gz WRMZBRPYIYUYOQ-UHFFFAOYSA-N 0 0 449.330 2.514 50 0 IFAARN CC[C@H](C)c1ccccc1OCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000032879850 556507495 /nfs/dbraw/zinc/50/74/95/556507495.db2.gz WZRFHYJAHXNIEQ-KRWDZBQOSA-N 0 0 440.569 2.993 50 0 IFAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](c3cccs3)C(C)C)cc2)CC1 ZINC000015182669 556508745 /nfs/dbraw/zinc/50/87/45/556508745.db2.gz IVEKHQUAVAYZJS-FQEVSTJZSA-N 0 0 449.598 2.728 50 0 IFAARN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000032882267 556509080 /nfs/dbraw/zinc/50/90/80/556509080.db2.gz DSDVQRYPXMGXJO-UHFFFAOYSA-N 0 0 425.514 2.818 50 0 IFAARN O=C(CSc1nnc(N2CCCCC2)n1C1CC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000032883844 556509643 /nfs/dbraw/zinc/50/96/43/556509643.db2.gz STWQUVAABOMRFJ-UHFFFAOYSA-N 0 0 444.517 2.772 50 0 IFAARN O=C(CCc1ccc2c(c1)OCO2)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000032885714 556510206 /nfs/dbraw/zinc/51/02/06/556510206.db2.gz PXKVOXPSVJTMET-UHFFFAOYSA-N 0 0 430.526 2.839 50 0 IFAARN COC(=O)c1sccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032888442 556511181 /nfs/dbraw/zinc/51/11/81/556511181.db2.gz RKMJCJZABRCHNC-UHFFFAOYSA-N 0 0 444.509 2.839 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000032889181 556511710 /nfs/dbraw/zinc/51/17/10/556511710.db2.gz XNCTWAUSUWSCOR-XOBRGWDASA-N 0 0 434.514 2.604 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(=O)N(C)C)c3)C2)s1 ZINC000030871043 556513510 /nfs/dbraw/zinc/51/35/10/556513510.db2.gz FXOXRDDHHVJTTB-MRXNPFEDSA-N 0 0 435.571 2.798 50 0 IFAARN NC(=O)CCc1nnc(SCc2ccc(Br)cc2)n1C[C@H]1CCCO1 ZINC000032895038 556514345 /nfs/dbraw/zinc/51/43/45/556514345.db2.gz TWFKDTQXASOGRT-CQSZACIVSA-N 0 0 425.352 2.930 50 0 IFAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000030877186 556514373 /nfs/dbraw/zinc/51/43/73/556514373.db2.gz INWRIHUEQFOPKE-QGZVFWFLSA-N 0 0 427.476 2.692 50 0 IFAARN COc1ccc(-c2noc(CNC(=O)CCSc3nc(Cl)nc4[nH]cnc43)n2)cc1 ZINC000013548784 556514600 /nfs/dbraw/zinc/51/46/00/556514600.db2.gz XSWCKSLNYIEWQB-UHFFFAOYSA-N 0 0 445.892 2.864 50 0 IFAARN CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@]12c1cc(OC)ccc1NC2=O ZINC000013557652 556517573 /nfs/dbraw/zinc/51/75/73/556517573.db2.gz BTVXWSHGFNTNSU-DEOSSOPVSA-N 0 0 446.463 2.553 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(I)c2)cc1 ZINC000015305480 556517943 /nfs/dbraw/zinc/51/79/43/556517943.db2.gz VOKUAWXYSAAWIJ-UHFFFAOYSA-N 0 0 430.267 2.794 50 0 IFAARN COC(=O)C1=C(COc2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566252 556518935 /nfs/dbraw/zinc/51/89/35/556518935.db2.gz OCDMBKXEMGDWOV-HXUWFJFHSA-N 0 0 428.441 2.572 50 0 IFAARN Cc1cccc(-c2nnc([C@@H](C)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)o2)c1 ZINC000032889896 556518942 /nfs/dbraw/zinc/51/89/42/556518942.db2.gz MLCDPMUJDBTYGU-GOSISDBHSA-N 0 0 433.578 2.844 50 0 IFAARN COc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)S(C)(=O)=O ZINC000013566751 556519717 /nfs/dbraw/zinc/51/97/17/556519717.db2.gz ZGOSBDOQXFHQTH-UHFFFAOYSA-N 0 0 445.541 2.726 50 0 IFAARN COc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc(OC)c1OCC(N)=O ZINC000011075674 556520460 /nfs/dbraw/zinc/52/04/60/556520460.db2.gz OMPIEPCHRQQJMN-UHFFFAOYSA-N 0 0 435.480 2.979 50 0 IFAARN CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000013568373 556520963 /nfs/dbraw/zinc/52/09/63/556520963.db2.gz AKLHZCZOFJJSOR-UHFFFAOYSA-N 0 0 448.566 2.854 50 0 IFAARN COC(=O)c1ccoc1COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000032894864 556521878 /nfs/dbraw/zinc/52/18/78/556521878.db2.gz HVGFLEXIBXSNLB-MRXNPFEDSA-N 0 0 429.878 2.766 50 0 IFAARN O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000013573617 556524072 /nfs/dbraw/zinc/52/40/72/556524072.db2.gz CJPJSMBXTYOCDO-FDGPYGQJSA-N 0 0 435.911 2.809 50 0 IFAARN O=C(CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000013574188 556524638 /nfs/dbraw/zinc/52/46/38/556524638.db2.gz XZIKOCNHAJPGGI-ZJYZBMPFSA-N 0 0 428.485 2.972 50 0 IFAARN O=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)CC1 ZINC000032900280 556529152 /nfs/dbraw/zinc/52/91/52/556529152.db2.gz WNZVKIRHZBVBTG-UHFFFAOYSA-N 0 0 427.549 2.681 50 0 IFAARN COc1ccc(CN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)C2CC2)cc1 ZINC000015486086 556530490 /nfs/dbraw/zinc/53/04/90/556530490.db2.gz ZJVHZZHJHHFPDO-UHFFFAOYSA-N 0 0 447.557 2.557 50 0 IFAARN COc1cccc(Cn2c3ccsc3c(=O)n(CCC(=O)N3CCCCC3)c2=O)c1 ZINC000013592999 556530958 /nfs/dbraw/zinc/53/09/58/556530958.db2.gz ZAERWHPCGSKNCE-UHFFFAOYSA-N 0 0 427.526 2.684 50 0 IFAARN CC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000032901145 556532375 /nfs/dbraw/zinc/53/23/75/556532375.db2.gz BGQQLOLWLGNWTR-NRFANRHFSA-N 0 0 429.542 2.813 50 0 IFAARN COc1cc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)cc(OC)c1OC ZINC000015520028 556532918 /nfs/dbraw/zinc/53/29/18/556532918.db2.gz KDVNUOKSDFQLLS-UHFFFAOYSA-N 0 0 433.549 2.766 50 0 IFAARN CNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000015560371 556535005 /nfs/dbraw/zinc/53/50/05/556535005.db2.gz JIIGDQNDYWZNOH-UHFFFAOYSA-N 0 0 429.542 2.702 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3c(C)nn(C)c3C)cc2)cc1 ZINC000032902558 556536422 /nfs/dbraw/zinc/53/64/22/556536422.db2.gz BNSDWMVDYGTBST-UHFFFAOYSA-N 0 0 440.525 2.970 50 0 IFAARN COc1cc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc(OC)c1 ZINC000032901732 556537381 /nfs/dbraw/zinc/53/73/81/556537381.db2.gz BPJJKDCESJCDLT-HUUCEWRRSA-N 0 0 430.457 2.719 50 0 IFAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@@H]4C2=O)no1 ZINC000013628580 556538230 /nfs/dbraw/zinc/53/82/30/556538230.db2.gz HIRQDSRUPIDXSW-XNWPKKHHSA-N 0 0 434.279 2.893 50 0 IFAARN Cc1nc(C2(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CCCC2)no1 ZINC000032901911 556538242 /nfs/dbraw/zinc/53/82/42/556538242.db2.gz WUJXYAYKWSDXIT-UHFFFAOYSA-N 0 0 432.546 2.673 50 0 IFAARN Cc1nc(C2(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CCCC2)no1 ZINC000032901910 556538320 /nfs/dbraw/zinc/53/83/20/556538320.db2.gz DDRPLUMFUYDAOF-UHFFFAOYSA-N 0 0 436.509 2.504 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCCC1 ZINC000015617647 556538692 /nfs/dbraw/zinc/53/86/92/556538692.db2.gz UBDLUCDVZVHZFT-KRWDZBQOSA-N 0 0 442.603 2.697 50 0 IFAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(CC(=O)NCc3ccco3)cc1)c2=O ZINC000032959257 556540919 /nfs/dbraw/zinc/54/09/19/556540919.db2.gz SLJSGGGBVUQBAV-UHFFFAOYSA-N 0 0 449.488 2.913 50 0 IFAARN CCNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000015658807 556541305 /nfs/dbraw/zinc/54/13/05/556541305.db2.gz VKXGKUDFQHJNJH-IBGZPJMESA-N 0 0 427.526 2.732 50 0 IFAARN O[C@@H](COc1c(F)cc(Br)cc1F)CN1CCN(c2ccccn2)CC1 ZINC000015724545 556545766 /nfs/dbraw/zinc/54/57/66/556545766.db2.gz QVUWGZAONKROAU-CQSZACIVSA-N 0 0 428.277 2.684 50 0 IFAARN Cc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1S(=O)(=O)N(C)C ZINC000015736086 556547440 /nfs/dbraw/zinc/54/74/40/556547440.db2.gz FGCBVQGTXYISLU-UHFFFAOYSA-N 0 0 444.340 2.921 50 0 IFAARN CCn1cnc2c1c(=O)n(CC(=O)N(C1=CCCCC1)C1CC1)c(=O)n2Cc1ccccc1 ZINC000032722847 556548070 /nfs/dbraw/zinc/54/80/70/556548070.db2.gz LTIWWHVSJMWGCJ-UHFFFAOYSA-N 0 0 447.539 2.877 50 0 IFAARN Cc1oc(C2CCN([C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)nc1-c1ccccc1 ZINC000072304918 556548542 /nfs/dbraw/zinc/54/85/42/556548542.db2.gz BJHWLLRTXKBNFS-OXJNMPFZSA-N 0 0 445.585 2.863 50 0 IFAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000015752286 556548555 /nfs/dbraw/zinc/54/85/55/556548555.db2.gz WCHONVKSZYGTQD-AWEZNQCLSA-N 0 0 428.510 2.837 50 0 IFAARN COc1ccc(C(=O)NCCc2csc(C)n2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000032905522 556548763 /nfs/dbraw/zinc/54/87/63/556548763.db2.gz BUJPLFLADYEALA-CQSZACIVSA-N 0 0 437.587 2.996 50 0 IFAARN COc1ccc(C(=O)NCCc2csc(C)n2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000032905521 556548798 /nfs/dbraw/zinc/54/87/98/556548798.db2.gz BUJPLFLADYEALA-AWEZNQCLSA-N 0 0 437.587 2.996 50 0 IFAARN CS(=O)(=O)Cc1noc(CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000072305147 556550179 /nfs/dbraw/zinc/55/01/79/556550179.db2.gz KCXHIHWREWHKEJ-AWEZNQCLSA-N 0 0 447.344 2.914 50 0 IFAARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000032905056 556550222 /nfs/dbraw/zinc/55/02/22/556550222.db2.gz NBDQJOZZQFVZQB-NRFANRHFSA-N 0 0 448.523 2.960 50 0 IFAARN COc1ccccc1CNC(=O)CCc1nc2c(C)nn(-c3ccc(C)cc3)c2n(C)c1=O ZINC000015779916 556551173 /nfs/dbraw/zinc/55/11/73/556551173.db2.gz JCDRNICMKJDNBH-UHFFFAOYSA-N 0 0 445.523 2.994 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCc3cccc(F)c32)cc1 ZINC000032906748 556553654 /nfs/dbraw/zinc/55/36/54/556553654.db2.gz NIGQNSVPXGPZKL-UHFFFAOYSA-N 0 0 426.535 2.998 50 0 IFAARN O=C(c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCN(c2ccccn2)CC1 ZINC000033088499 556554057 /nfs/dbraw/zinc/55/40/57/556554057.db2.gz QMSNUHMQHUNMID-UHFFFAOYSA-N 0 0 443.389 2.761 50 0 IFAARN COc1cc(NC(=O)COC(=O)c2ccc(-c3nc(C)no3)cc2)cc(OC)c1OC ZINC000032905917 556556863 /nfs/dbraw/zinc/55/68/63/556556863.db2.gz JGTUDAJJZCNZJR-UHFFFAOYSA-N 0 0 427.413 2.866 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)NCCn3ccc4cc(OC)ccc43)n2)cc1 ZINC000071281568 556557851 /nfs/dbraw/zinc/55/78/51/556557851.db2.gz DOKOWXNRHAKETO-UHFFFAOYSA-N 0 0 432.480 2.699 50 0 IFAARN CC(C)(C(N)=O)N1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1 ZINC000072306489 556560322 /nfs/dbraw/zinc/56/03/22/556560322.db2.gz BJVXXFXNQSXBGN-UHFFFAOYSA-N 0 0 447.333 2.658 50 0 IFAARN C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CCN(c2nccn2C)CC1 ZINC000072308099 556563180 /nfs/dbraw/zinc/56/31/80/556563180.db2.gz CNRLAVPQHBGYAO-ZDUSSCGKSA-N 0 0 432.500 2.971 50 0 IFAARN CCS(=O)(=O)N1CCC(NC(=O)CSc2nccn2-c2cc(C)ccc2C)CC1 ZINC000032907649 556563364 /nfs/dbraw/zinc/56/33/64/556563364.db2.gz FDSKNOJIDBMZLO-UHFFFAOYSA-N 0 0 436.603 2.512 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000032908033 556564171 /nfs/dbraw/zinc/56/41/71/556564171.db2.gz AKCKCIMSZIJFHT-KRWDZBQOSA-N 0 0 425.457 2.729 50 0 IFAARN COc1ccc(NC(=O)CN2C[C@@H](C)N(CC(=O)Nc3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000072308494 556564940 /nfs/dbraw/zinc/56/49/40/556564940.db2.gz SLASOKKMHYZFOP-QZTJIDSGSA-N 0 0 440.544 2.676 50 0 IFAARN CCOC(=O)C1(O)CCN(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 ZINC000072308417 556566231 /nfs/dbraw/zinc/56/62/31/556566231.db2.gz OAJOKMVGPRYWCH-UHFFFAOYSA-N 0 0 437.949 2.716 50 0 IFAARN O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000032909090 556568036 /nfs/dbraw/zinc/56/80/36/556568036.db2.gz GEGDZCBNIYCNLT-UHFFFAOYSA-N 0 0 443.447 2.697 50 0 IFAARN COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(Br)c4)C(O)=C23)c(OC)c1 ZINC000016006940 556573284 /nfs/dbraw/zinc/57/32/84/556573284.db2.gz YGSIKGVIXXFPIC-RDJZCZTQSA-N 0 0 431.242 2.759 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000015821395 556575014 /nfs/dbraw/zinc/57/50/14/556575014.db2.gz HLAZBEBZKWFEKB-UHFFFAOYSA-N 0 0 428.894 2.771 50 0 IFAARN O=C(NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(C(F)(F)F)cc1 ZINC000032909885 556577682 /nfs/dbraw/zinc/57/76/82/556577682.db2.gz VQMGWQSVHUWDIP-OAHLLOKOSA-N 0 0 437.418 2.697 50 0 IFAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2cccc(OC)c2OC)C1=O ZINC000016045972 556579865 /nfs/dbraw/zinc/57/98/65/556579865.db2.gz YQSYXVBPHXQDFS-QHCPKHFHSA-N 0 0 443.475 2.659 50 0 IFAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000016049919 556580847 /nfs/dbraw/zinc/58/08/47/556580847.db2.gz RSSFWYILWBCOAA-UHFFFAOYSA-N 0 0 435.354 2.689 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccn1 ZINC000016050595 556581097 /nfs/dbraw/zinc/58/10/97/556581097.db2.gz GZRNJOLPJAQYIO-NRFANRHFSA-N 0 0 443.594 2.994 50 0 IFAARN Cc1cc(C)nc(N2CCN(C(=O)CCC(=O)NCc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000016080090 556581667 /nfs/dbraw/zinc/58/16/67/556581667.db2.gz YRBFPOYFYUGEJK-UHFFFAOYSA-N 0 0 449.477 2.857 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 ZINC000032910893 556581721 /nfs/dbraw/zinc/58/17/21/556581721.db2.gz BPLGYGJBUYOAPA-ZDUSSCGKSA-N 0 0 426.425 2.541 50 0 IFAARN O=C(CSc1nc2ccccc2c(Nc2ccccc2)n1)N[C@H]1CCS(=O)(=O)C1 ZINC000016097355 556582669 /nfs/dbraw/zinc/58/26/69/556582669.db2.gz SYSOZTPECKENEZ-HNNXBMFYSA-N 0 0 428.539 2.769 50 0 IFAARN O=C(Nc1ccc2c(c1)CCC2)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000016097222 556582673 /nfs/dbraw/zinc/58/26/73/556582673.db2.gz WWWGYNYJPUZQIO-UHFFFAOYSA-N 0 0 442.537 2.986 50 0 IFAARN C[C@@H]1NC(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)=NN(c2ccccc2)C1=O ZINC000032962685 556582911 /nfs/dbraw/zinc/58/29/11/556582911.db2.gz BPFOEOBFOSVBRR-ZDUSSCGKSA-N 0 0 426.427 2.728 50 0 IFAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCc2ccc(OC)cc2)CC1 ZINC000032962617 556582913 /nfs/dbraw/zinc/58/29/13/556582913.db2.gz KUNZJYLAAUJKAJ-UHFFFAOYSA-N 0 0 447.509 2.626 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)c1 ZINC000034854162 556583864 /nfs/dbraw/zinc/58/38/64/556583864.db2.gz ZDIUFFRMEWZMPC-UHFFFAOYSA-N 0 0 427.570 2.737 50 0 IFAARN C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000034856275 556583894 /nfs/dbraw/zinc/58/38/94/556583894.db2.gz HHQQKWUXXREZKX-INIZCTEOSA-N 0 0 433.961 2.624 50 0 IFAARN COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O ZINC000032911199 556584609 /nfs/dbraw/zinc/58/46/09/556584609.db2.gz BQPRLDILVQGJLY-OAQYLSRUSA-N 0 0 429.860 2.825 50 0 IFAARN Cc1c(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000034886245 556585604 /nfs/dbraw/zinc/58/56/04/556585604.db2.gz JZLJZNNBLILAKR-UHFFFAOYSA-N 0 0 433.556 2.862 50 0 IFAARN Cc1cc(C(=O)N2CCC(C(=O)N3CCN(C(=O)c4cc(C)oc4C)CC3)CC2)c(C)o1 ZINC000072311505 556586379 /nfs/dbraw/zinc/58/63/79/556586379.db2.gz OSEXSQKLCKGCEU-UHFFFAOYSA-N 0 0 441.528 2.943 50 0 IFAARN CNS(=O)(=O)Cc1cccc(CNC(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC000060244943 556588246 /nfs/dbraw/zinc/58/82/46/556588246.db2.gz FYONAAQLVNQEJD-UHFFFAOYSA-N 0 0 440.363 2.840 50 0 IFAARN CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000032971186 556588593 /nfs/dbraw/zinc/58/85/93/556588593.db2.gz JVERTIQYGXCHBT-UHFFFAOYSA-N 0 0 433.530 2.776 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1F ZINC000036122908 556593355 /nfs/dbraw/zinc/59/33/55/556593355.db2.gz NIQGMXDBNSPTFE-UHFFFAOYSA-N 0 0 429.876 2.563 50 0 IFAARN Cc1ccc(NC(=O)NC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1C ZINC000016252468 556594655 /nfs/dbraw/zinc/59/46/55/556594655.db2.gz WGJNCFMCWROZEC-QGZVFWFLSA-N 0 0 427.482 2.998 50 0 IFAARN C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1nc2ccccc2n1C ZINC000072312001 556596048 /nfs/dbraw/zinc/59/60/48/556596048.db2.gz OEVJRAORONEKLN-GFCCVEGCSA-N 0 0 433.434 2.566 50 0 IFAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)NC1CCCCC1 ZINC000032975697 556600316 /nfs/dbraw/zinc/60/03/16/556600316.db2.gz HKHNXJVDGFOLSO-QZTJIDSGSA-N 0 0 434.558 2.981 50 0 IFAARN CCN1CCN(C(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 ZINC000016347271 556601539 /nfs/dbraw/zinc/60/15/39/556601539.db2.gz PKYSNDYYFOPHLI-SFHVURJKSA-N 0 0 431.558 2.798 50 0 IFAARN CCN1CCN(C(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 ZINC000016347267 556601569 /nfs/dbraw/zinc/60/15/69/556601569.db2.gz PKYSNDYYFOPHLI-GOSISDBHSA-N 0 0 431.558 2.798 50 0 IFAARN CCOC(=O)c1sc(NC(=S)NCCCN2CCCC2=O)c(C(=O)OCC)c1C ZINC000016361153 556602297 /nfs/dbraw/zinc/60/22/97/556602297.db2.gz NAMFMUXGMSIGRU-UHFFFAOYSA-N 0 0 441.575 2.709 50 0 IFAARN COC(=O)COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000016361627 556602689 /nfs/dbraw/zinc/60/26/89/556602689.db2.gz KMQYVWZZVSGRAK-FQEVSTJZSA-N 0 0 441.509 2.679 50 0 IFAARN COC(=O)c1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000016393417 556604780 /nfs/dbraw/zinc/60/47/80/556604780.db2.gz YDVITOUPWJTMHD-IBGZPJMESA-N 0 0 441.509 2.922 50 0 IFAARN COc1ccc([C@@H]2c3c(=O)[nH][nH]c3C[C@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1OC ZINC000013494558 556605834 /nfs/dbraw/zinc/60/58/34/556605834.db2.gz QDGMPZMXICCCNO-IZIIKQMZSA-N 0 0 438.480 2.931 50 0 IFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)NCc3ccccc3OC)s2)cc1 ZINC000032987382 556607464 /nfs/dbraw/zinc/60/74/64/556607464.db2.gz BYRAMDOPAHHHMT-UHFFFAOYSA-N 0 0 442.497 2.641 50 0 IFAARN CCn1c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)cc2[nH]c(=O)c1=O ZINC000032988527 556608769 /nfs/dbraw/zinc/60/87/69/556608769.db2.gz FFVXQYGYDNDAJF-FQEVSTJZSA-N 0 0 440.931 2.930 50 0 IFAARN COc1ccc([C@H](NC(=O)Cn2cnc3c4ccccc4oc3c2=O)c2nccn2C)cc1 ZINC000016476063 556610781 /nfs/dbraw/zinc/61/07/81/556610781.db2.gz RBZUIDRSYGSPOF-FQEVSTJZSA-N 0 0 443.463 2.791 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(C)c2C)c1C(=O)N1CCCC1 ZINC000032996384 556611865 /nfs/dbraw/zinc/61/18/65/556611865.db2.gz VSRJIZYWHOCUGT-UHFFFAOYSA-N 0 0 446.573 2.791 50 0 IFAARN Cc1oc(-c2ccccc2)nc1CC(=O)NCCS(=O)(=O)N1CCc2ccccc21 ZINC000032915279 556611823 /nfs/dbraw/zinc/61/18/23/556611823.db2.gz KSKZXDICBFKIQF-UHFFFAOYSA-N 0 0 425.510 2.701 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(C)c(C)c1 ZINC000016488016 556611879 /nfs/dbraw/zinc/61/18/79/556611879.db2.gz WVNWINKXFZDFJU-UHFFFAOYSA-N 0 0 432.542 2.675 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)N1CCOCC1 ZINC000016489795 556612322 /nfs/dbraw/zinc/61/23/22/556612322.db2.gz LUEDLXWZGXXGQT-UHFFFAOYSA-N 0 0 428.869 2.518 50 0 IFAARN CN1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)CC1 ZINC000038206998 556612446 /nfs/dbraw/zinc/61/24/46/556612446.db2.gz VXTRFHPIUXAXML-SUMWQHHRSA-N 0 0 437.422 2.660 50 0 IFAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000038530529 556613529 /nfs/dbraw/zinc/61/35/29/556613529.db2.gz JUKZAPLBGAMPPW-UHFFFAOYSA-N 0 0 443.551 2.794 50 0 IFAARN CN1C(=O)Cc2cc(S(=O)(=O)N3CCCn4nc(-c5ccc(F)cc5)cc4C3)ccc21 ZINC000065270383 556613548 /nfs/dbraw/zinc/61/35/48/556613548.db2.gz BQPIAKJUGCERJL-UHFFFAOYSA-N 0 0 440.500 2.803 50 0 IFAARN CCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000016563080 556615277 /nfs/dbraw/zinc/61/52/77/556615277.db2.gz SDAYRCHCFDKIJV-UHFFFAOYSA-N 0 0 442.585 2.997 50 0 IFAARN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)C[C@@H]1COc2ccccc2O1 ZINC000016628648 556619017 /nfs/dbraw/zinc/61/90/17/556619017.db2.gz VPEZAHJTIOATGH-OAHLLOKOSA-N 0 0 447.417 2.996 50 0 IFAARN Cc1cccc2c(=O)[nH]c(COC(=O)CCCN(C)S(=O)(=O)c3ccc(F)cc3)nc12 ZINC000016660325 556620986 /nfs/dbraw/zinc/62/09/86/556620986.db2.gz WQNJIRUPVGDWTG-UHFFFAOYSA-N 0 0 447.488 2.515 50 0 IFAARN COc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CCc2ccc(OC)c(OC)c2)C3)c1 ZINC000033695935 556622315 /nfs/dbraw/zinc/62/23/15/556622315.db2.gz SALQOPANOZVRMY-QFIPXVFZSA-N 0 0 437.496 2.748 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1C ZINC000016684883 556625182 /nfs/dbraw/zinc/62/51/82/556625182.db2.gz IBBOIIFXUNXPHD-MRXNPFEDSA-N 0 0 447.509 2.742 50 0 IFAARN O=C(Cc1csc(NC(=O)c2ccccc2I)n1)N1CCC1 ZINC000071802093 556626736 /nfs/dbraw/zinc/62/67/36/556626736.db2.gz CHGMBFUSGGEQJG-UHFFFAOYSA-N 0 0 427.267 2.775 50 0 IFAARN COc1ccc([C@H](C)NCc2nc3ccccc3c(=O)n2CC(N)=O)cc1Br ZINC000016694949 556628228 /nfs/dbraw/zinc/62/82/28/556628228.db2.gz ODBPIYFHLGHUEL-LBPRGKRZSA-N 0 0 445.317 2.504 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)NN1 ZINC000033762586 556631586 /nfs/dbraw/zinc/63/15/86/556631586.db2.gz RRXSANOWNIKJIX-JTSKRJEESA-N 0 0 441.871 2.646 50 0 IFAARN CCS(=O)(=O)N(C)CCCNC(=O)c1cc(Br)c(Br)s1 ZINC000040094790 556633614 /nfs/dbraw/zinc/63/36/14/556633614.db2.gz SIEHKRKWCXQNNJ-UHFFFAOYSA-N 0 0 448.202 2.675 50 0 IFAARN COc1cc(CN(C(=O)c2cccc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000016751911 556637487 /nfs/dbraw/zinc/63/74/87/556637487.db2.gz XBQVCCLCBKMZRS-GOSISDBHSA-N 0 0 433.526 2.850 50 0 IFAARN COc1cccc(C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016751894 556637614 /nfs/dbraw/zinc/63/76/14/556637614.db2.gz QBAQAFGVMQVYKL-KRWDZBQOSA-N 0 0 449.525 2.551 50 0 IFAARN CCc1nn2c(nnc3c2ccn(CCN2CCOCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395955 556638415 /nfs/dbraw/zinc/63/84/15/556638415.db2.gz UVRPYAYUICOQAM-UHFFFAOYSA-N 0 0 438.919 2.654 50 0 IFAARN COC(=O)c1ccc(Cn2cnc3c2c(=O)n(CC(C)C)c(=O)n3-c2ccccc2C)o1 ZINC000037559197 556643179 /nfs/dbraw/zinc/64/31/79/556643179.db2.gz UATYFTSJBNQKNC-UHFFFAOYSA-N 0 0 436.468 2.741 50 0 IFAARN O=c1/c(=C\c2ccccc2Br)sc2nc([C@H]3COc4ccccc4O3)nn12 ZINC000016805678 556643680 /nfs/dbraw/zinc/64/36/80/556643680.db2.gz QBAIKAJRRZLNOM-INQNZLQJSA-N 0 0 442.294 2.974 50 0 IFAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc(Br)c1O ZINC000016806434 556644134 /nfs/dbraw/zinc/64/41/34/556644134.db2.gz FWMREIJGLVVDHQ-INIZCTEOSA-N 0 0 446.253 2.807 50 0 IFAARN C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719789 556644804 /nfs/dbraw/zinc/64/48/04/556644804.db2.gz OWCZFFQCECYKDA-GFCCVEGCSA-N 0 0 429.514 2.796 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1F ZINC000011719943 556644948 /nfs/dbraw/zinc/64/49/48/556644948.db2.gz RWIKYNJFCSPIQA-CQSZACIVSA-N 0 0 425.551 2.966 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)n2)cc1 ZINC000016820223 556645003 /nfs/dbraw/zinc/64/50/03/556645003.db2.gz XSKJXXVBAZRMET-UHFFFAOYSA-N 0 0 443.467 2.519 50 0 IFAARN CC(=O)c1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(Cc4ccc(C)cc4)nn32)cc1 ZINC000016838816 556645547 /nfs/dbraw/zinc/64/55/47/556645547.db2.gz BTPHQKXSKWNQDE-UHFFFAOYSA-N 0 0 448.508 2.645 50 0 IFAARN CCn1c2c(cc(F)cc2F)s/c1=N/C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000011726438 556646884 /nfs/dbraw/zinc/64/68/84/556646884.db2.gz DZFNPCFAQHGQFQ-DYTRJAOYSA-N 0 0 425.482 2.992 50 0 IFAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(F)cc1F)C[C@H](C)S2 ZINC000011726521 556647085 /nfs/dbraw/zinc/64/70/85/556647085.db2.gz QDNKSBHEHASARV-JTQLQIEISA-N 0 0 427.498 2.935 50 0 IFAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)N1CCCCCC1 ZINC000016867336 556647676 /nfs/dbraw/zinc/64/76/76/556647676.db2.gz IHUKNMGXNIFZGQ-MRXNPFEDSA-N 0 0 440.537 2.561 50 0 IFAARN COCCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000016861718 556647686 /nfs/dbraw/zinc/64/76/86/556647686.db2.gz LHOGJCDPVIGOAP-CYBMUJFWSA-N 0 0 445.570 2.795 50 0 IFAARN C[C@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(CCc3ccccc3)c(=O)c2S1 ZINC000011726655 556647678 /nfs/dbraw/zinc/64/76/78/556647678.db2.gz BAPZIGHNHFKSOG-DOTOQJQBSA-N 0 0 445.610 2.910 50 0 IFAARN C[C@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3ccc(F)cc3)c(=O)c2S1 ZINC000011726691 556647917 /nfs/dbraw/zinc/64/79/17/556647917.db2.gz CTKCQBVXKMIEOW-SWLSCSKDSA-N 0 0 435.546 2.796 50 0 IFAARN CCN(CC)C(=O)N1CCN(Cn2nc([C@H]3COc4ccccc4O3)n(C)c2=S)CC1 ZINC000032923249 556648273 /nfs/dbraw/zinc/64/82/73/556648273.db2.gz DAGFZIDXWBDYNV-GOSISDBHSA-N 0 0 446.577 2.500 50 0 IFAARN CC[C@@H](C)N(C(=O)COC(=O)CSc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000011722559 556648544 /nfs/dbraw/zinc/64/85/44/556648544.db2.gz VXCKQVHAJUTZBZ-IAGOWNOFSA-N 0 0 427.588 2.753 50 0 IFAARN COc1ccccc1-c1noc(Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)n1 ZINC000038486660 556648769 /nfs/dbraw/zinc/64/87/69/556648769.db2.gz UNNYADMVMDJYRV-UHFFFAOYSA-N 0 0 449.858 2.797 50 0 IFAARN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2ccccc2F)n1C ZINC000010616672 556649537 /nfs/dbraw/zinc/64/95/37/556649537.db2.gz WNMDVTZRKIQUEC-SFHVURJKSA-N 0 0 440.500 2.840 50 0 IFAARN O=C(c1ccccc1Br)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000016964211 556651417 /nfs/dbraw/zinc/65/14/17/556651417.db2.gz FPWBDLWIALDGDY-SFHVURJKSA-N 0 0 431.286 2.716 50 0 IFAARN Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000017011458 556652635 /nfs/dbraw/zinc/65/26/35/556652635.db2.gz LROHOQUGESRNKF-UHFFFAOYSA-N 0 0 440.477 2.665 50 0 IFAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)NCc1ccc(F)cc1 ZINC000011758543 556652993 /nfs/dbraw/zinc/65/29/93/556652993.db2.gz YRIVZULWAQDNLS-UHFFFAOYSA-N 0 0 426.452 2.956 50 0 IFAARN Cc1c(N2CCC(C(=O)N3CCCC3)CC2)c(=O)n(CC(C)C)c(=O)n1-c1ccccc1 ZINC000032999351 556653295 /nfs/dbraw/zinc/65/32/95/556653295.db2.gz NLJFAFZAPUXUNR-UHFFFAOYSA-N 0 0 438.572 2.802 50 0 IFAARN COC(=O)c1ccccc1NC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000017043500 556653868 /nfs/dbraw/zinc/65/38/68/556653868.db2.gz KQQDPPJJPLPTEG-UHFFFAOYSA-N 0 0 435.480 2.922 50 0 IFAARN Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)C3CCN(C(=O)C4CC4)CC3)C2=O)cc1 ZINC000017061314 556654638 /nfs/dbraw/zinc/65/46/38/556654638.db2.gz IHDRGQGKEFYGJI-RGEXLXHISA-N 0 0 441.553 2.796 50 0 IFAARN COC(=O)c1cc(CNC(=O)c2ccccn2)cc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000011782891 556655266 /nfs/dbraw/zinc/65/52/66/556655266.db2.gz IMSABFGAMIRUHQ-UHFFFAOYSA-N 0 0 443.456 2.738 50 0 IFAARN CCn1c2ccccc2nc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000033006494 556655546 /nfs/dbraw/zinc/65/55/46/556655546.db2.gz PIXXOZWUTKUQTF-UHFFFAOYSA-N 0 0 426.517 2.996 50 0 IFAARN CCn1c(=O)c(N2CCC(C(=O)NCCSCc3ccco3)CC2)nc2cccnc21 ZINC000033006193 556655637 /nfs/dbraw/zinc/65/56/37/556655637.db2.gz AHTGLZLBQOMCJS-UHFFFAOYSA-N 0 0 441.557 2.670 50 0 IFAARN COc1ccc(-c2nn(CN3CCC(C(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)c(=S)[nH]2)cc1 ZINC000032926841 556655723 /nfs/dbraw/zinc/65/57/23/556655723.db2.gz IRSGOVYBAGZZFB-HZPDHXFCSA-N 0 0 445.589 2.922 50 0 IFAARN COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)NC1CCC(C)CC1)c2=O ZINC000004591391 556657157 /nfs/dbraw/zinc/65/71/57/556657157.db2.gz AHVCCZTYJCDAPF-UHFFFAOYSA-N 0 0 429.517 2.732 50 0 IFAARN CCOc1ccc(NC(=O)CSC2=N/C(=C\c3cnn(C)c3)C(=O)N2C2CC2)cc1 ZINC000017094494 556657706 /nfs/dbraw/zinc/65/77/06/556657706.db2.gz PMKBWHFTBDWZMH-ZDLGFXPLSA-N 0 0 425.514 2.892 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)CC2=O)c(OC)c1 ZINC000011834786 556659118 /nfs/dbraw/zinc/65/91/18/556659118.db2.gz QLKKGIJORADTNE-QBPKDAKJSA-N 0 0 432.517 2.778 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)N(C)C3CCCCC3)CC2=O)c(OC)c1 ZINC000011834824 556659129 /nfs/dbraw/zinc/65/91/29/556659129.db2.gz TZBPECAYRZJJPF-HOTGVXAUSA-N 0 0 432.517 2.780 50 0 IFAARN NS(=O)(=O)c1ccc(CNC(=O)CCS[C@@H]2CCc3ccccc3NC2=O)cc1 ZINC000011865949 556665743 /nfs/dbraw/zinc/66/57/43/556665743.db2.gz LUYXVNOPFHXOBR-GOSISDBHSA-N 0 0 433.555 2.677 50 0 IFAARN O=C(NCc1cccc(Br)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000071850208 556667053 /nfs/dbraw/zinc/66/70/53/556667053.db2.gz BRBJZWINJQOUAV-AWEZNQCLSA-N 0 0 429.361 2.980 50 0 IFAARN O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000071850254 556667096 /nfs/dbraw/zinc/66/70/96/556667096.db2.gz YDQKTUUAXDGORG-KRWDZBQOSA-N 0 0 434.518 2.542 50 0 IFAARN CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)NCc1ccccn1 ZINC000044803365 556667760 /nfs/dbraw/zinc/66/77/60/556667760.db2.gz SZYQPJZQEIPWQO-UHFFFAOYSA-N 0 0 438.553 2.762 50 0 IFAARN CCOc1c(Br)cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1OC ZINC000017114171 556668175 /nfs/dbraw/zinc/66/81/75/556668175.db2.gz COQUIEQAAOAXCQ-UHFFFAOYSA-N 0 0 440.294 2.756 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000017148763 556670289 /nfs/dbraw/zinc/67/02/89/556670289.db2.gz RSPRFSZDMGBGNN-UHFFFAOYSA-N 0 0 437.887 2.818 50 0 IFAARN Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000011904652 556670367 /nfs/dbraw/zinc/67/03/67/556670367.db2.gz BUMHFRXTDTVTOW-UHFFFAOYSA-N 0 0 432.882 2.655 50 0 IFAARN O=C(c1cccnc1)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc21 ZINC000011906523 556671635 /nfs/dbraw/zinc/67/16/35/556671635.db2.gz GYVWNLAZBVOGMF-UHFFFAOYSA-N 0 0 434.477 2.580 50 0 IFAARN COc1ccc(-c2cc(C(=O)Nc3cccc(C)n3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011906929 556671912 /nfs/dbraw/zinc/67/19/12/556671912.db2.gz VJQMVDLPNBCPNY-MRXNPFEDSA-N 0 0 426.498 2.874 50 0 IFAARN Cc1cccc(OCC(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000011914028 556673596 /nfs/dbraw/zinc/67/35/96/556673596.db2.gz PKTGMFPTJYAECH-AWEZNQCLSA-N 0 0 442.331 2.945 50 0 IFAARN O=C(CCn1nnc2ccccc2c1=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000032931863 556676856 /nfs/dbraw/zinc/67/68/56/556676856.db2.gz PISHXLOLDXGJTR-QFIPXVFZSA-N 0 0 427.464 2.678 50 0 IFAARN COc1ccc(-c2cc(C(=O)NCCc3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011996980 556679062 /nfs/dbraw/zinc/67/90/62/556679062.db2.gz ZWJSOPFBDXRRID-LJQANCHMSA-N 0 0 439.537 2.891 50 0 IFAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000011997532 556679311 /nfs/dbraw/zinc/67/93/11/556679311.db2.gz AHBQPSOEGOVOEY-UHFFFAOYSA-N 0 0 435.310 2.861 50 0 IFAARN Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n1 ZINC000012006475 556680688 /nfs/dbraw/zinc/68/06/88/556680688.db2.gz IBMNIIAWVXIZPX-HNNXBMFYSA-N 0 0 444.451 2.516 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000033326634 556683001 /nfs/dbraw/zinc/68/30/01/556683001.db2.gz MEMJIKYNNGMSSW-OAHLLOKOSA-N 0 0 444.531 2.986 50 0 IFAARN C[C@@H]1CN(Cc2ccccc2NC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H](C)O1 ZINC000071941186 556683889 /nfs/dbraw/zinc/68/38/89/556683889.db2.gz QTMIGRQWAODSSP-HDICACEKSA-N 0 0 426.517 2.879 50 0 IFAARN Cc1cccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C ZINC000011114870 556684870 /nfs/dbraw/zinc/68/48/70/556684870.db2.gz IXRVKEHHTXJYGN-UHFFFAOYSA-N 0 0 427.570 2.737 50 0 IFAARN CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021074 556685338 /nfs/dbraw/zinc/68/53/38/556685338.db2.gz TZVYNRIBSSQFMC-INIZCTEOSA-N 0 0 443.525 2.619 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c(C)c1 ZINC000033021180 556685571 /nfs/dbraw/zinc/68/55/71/556685571.db2.gz RLEOCPSWVKJVDD-INIZCTEOSA-N 0 0 443.525 2.674 50 0 IFAARN CSc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(N4CCOCC4)nn3)C2)cc1 ZINC000033020724 556685874 /nfs/dbraw/zinc/68/58/74/556685874.db2.gz CRMVWMDQXATIPG-SFHVURJKSA-N 0 0 427.574 2.568 50 0 IFAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000018177156 556685928 /nfs/dbraw/zinc/68/59/28/556685928.db2.gz DUSRDYBPHTWTMM-IYBDPMFKSA-N 0 0 428.876 2.690 50 0 IFAARN O=C(NCc1ccc(Cn2cncn2)cc1)C(=O)Nc1ccc(Br)cc1Cl ZINC000032937336 556689646 /nfs/dbraw/zinc/68/96/46/556689646.db2.gz WXGPWPBCABFNCG-UHFFFAOYSA-N 0 0 448.708 2.997 50 0 IFAARN CC[C@@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)ccc21 ZINC000033023118 556691436 /nfs/dbraw/zinc/69/14/36/556691436.db2.gz VQZIZYBDRVCTMF-OAHLLOKOSA-N 0 0 433.578 2.862 50 0 IFAARN COc1cc(OC)c(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1Cl ZINC000072313409 556693237 /nfs/dbraw/zinc/69/32/37/556693237.db2.gz XLYBBRYQPWPASP-UHFFFAOYSA-N 0 0 446.934 2.698 50 0 IFAARN Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)N4CCCC4)CC3)s2)cc1 ZINC000033024508 556695593 /nfs/dbraw/zinc/69/55/93/556695593.db2.gz VMUKVJNGYJGEGL-UHFFFAOYSA-N 0 0 427.530 2.573 50 0 IFAARN COCCN(C)Cc1ccnc(NC(=O)CCNC(=O)c2ccc(Br)cc2)c1 ZINC000072314218 556695946 /nfs/dbraw/zinc/69/59/46/556695946.db2.gz XTBIGLGXSUUYFU-UHFFFAOYSA-N 0 0 449.349 2.681 50 0 IFAARN O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000000806085 556696930 /nfs/dbraw/zinc/69/69/30/556696930.db2.gz FSLGRBRKNHOUFK-UHFFFAOYSA-N 0 0 431.297 2.972 50 0 IFAARN Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(CC(=O)N4CCCC4)CC3)s2)cc1 ZINC000033024827 556697618 /nfs/dbraw/zinc/69/76/18/556697618.db2.gz MTFGEZYOJQEGLQ-UHFFFAOYSA-N 0 0 441.557 2.964 50 0 IFAARN O=S(=O)(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccc2c(c1)OCCO2 ZINC000013592609 556700805 /nfs/dbraw/zinc/70/08/05/556700805.db2.gz CSVBTVUTIRJNPG-UHFFFAOYSA-N 0 0 448.810 2.651 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000033026849 556704139 /nfs/dbraw/zinc/70/41/39/556704139.db2.gz LZFKNKXWRWMDRI-UHFFFAOYSA-N 0 0 433.549 2.966 50 0 IFAARN Cc1c2cccc(Cl)c2oc1C(=O)OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000011127099 556710515 /nfs/dbraw/zinc/71/05/15/556710515.db2.gz LROQRYGVCJTHGT-UHFFFAOYSA-N 0 0 436.873 2.515 50 0 IFAARN COCc1nnc(C(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)s1 ZINC000033032086 556712163 /nfs/dbraw/zinc/71/21/63/556712163.db2.gz QVGBTPNRROLVEC-UHFFFAOYSA-N 0 0 437.525 2.899 50 0 IFAARN COCc1nnc(C(=O)Nc2ccc(C(=O)NCc3ccc(OC)cc3OC)cc2)s1 ZINC000033032172 556712529 /nfs/dbraw/zinc/71/25/29/556712529.db2.gz MFEQEIPNCTYKLG-UHFFFAOYSA-N 0 0 442.497 2.884 50 0 IFAARN Cc1ccc2c(CC(=O)N3CCOc4ccc(CN5CCOCC5)cc4C3)cc(=O)oc2c1 ZINC000019221721 556715755 /nfs/dbraw/zinc/71/57/55/556715755.db2.gz CTYZUZWWKPUKCT-UHFFFAOYSA-N 0 0 448.519 2.897 50 0 IFAARN Cc1nc(C(=O)N2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cs1 ZINC000019229077 556717805 /nfs/dbraw/zinc/71/78/05/556717805.db2.gz GTYBLCVPELPGKR-SFHVURJKSA-N 0 0 428.558 2.603 50 0 IFAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000138564896 556719097 /nfs/dbraw/zinc/71/90/97/556719097.db2.gz ALKCFVQKXGUQPN-IPMKNSEASA-N 0 0 442.313 2.993 50 0 IFAARN COc1ccccc1N1C[C@H](C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)CC1=O ZINC000005192093 556723721 /nfs/dbraw/zinc/72/37/21/556723721.db2.gz SBZANOSMZBLOIR-ZWGBCBFGSA-N 0 0 426.513 2.676 50 0 IFAARN COc1cc(NC(=O)CSc2ccc3nnc(C(F)(F)F)n3n2)cc(OC)c1OC ZINC000061718330 556724982 /nfs/dbraw/zinc/72/49/82/556724982.db2.gz PDHLPBTZSUJSHF-UHFFFAOYSA-N 0 0 443.407 2.900 50 0 IFAARN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CC(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000061720356 556727666 /nfs/dbraw/zinc/72/76/66/556727666.db2.gz QUILDPUBDKSIRP-CQSZACIVSA-N 0 0 440.406 2.772 50 0 IFAARN CCOc1ccc(CC(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC ZINC000072330884 556728011 /nfs/dbraw/zinc/72/80/11/556728011.db2.gz WUCJEBXYNMLFOM-UHFFFAOYSA-N 0 0 445.512 2.946 50 0 IFAARN Cc1sc(NC(=O)CCn2cnc3c(cnn3C)c2=O)nc1-c1ccc(F)c(F)c1 ZINC000011149045 556730974 /nfs/dbraw/zinc/73/09/74/556730974.db2.gz GBKRQIBKTDHQEV-UHFFFAOYSA-N 0 0 430.440 2.869 50 0 IFAARN COc1ccccc1CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 ZINC000055109164 556734906 /nfs/dbraw/zinc/73/49/06/556734906.db2.gz HAKWKRXUJOFICD-HXUWFJFHSA-N 0 0 433.574 2.886 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000019313789 556735653 /nfs/dbraw/zinc/73/56/53/556735653.db2.gz MKKYHIMYOKYEQL-FQEVSTJZSA-N 0 0 449.294 2.759 50 0 IFAARN CCn1c2ccccc2nc1NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl ZINC000010652327 556736610 /nfs/dbraw/zinc/73/66/10/556736610.db2.gz WEUWBFGILSEKCQ-UHFFFAOYSA-N 0 0 436.921 2.887 50 0 IFAARN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cc(C(C)C)nc(N)n3)C2)CC1 ZINC000055166590 556736636 /nfs/dbraw/zinc/73/66/36/556736636.db2.gz NHKPOXNTKQTDLM-SFHVURJKSA-N 0 0 438.576 2.618 50 0 IFAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000013792467 556738336 /nfs/dbraw/zinc/73/83/36/556738336.db2.gz BMAOKSMUJIOJTE-OAHLLOKOSA-N 0 0 433.511 2.669 50 0 IFAARN CCOC(=O)[C@@H]1CCCCN1Cc1cnc(S(=O)(=O)C2CCCC2)n1CCCOC ZINC000055360966 556740808 /nfs/dbraw/zinc/74/08/08/556740808.db2.gz KWONNBIKNRPDLW-IBGZPJMESA-N 0 0 441.594 2.554 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3ccc(F)cc3F)n2)cc1 ZINC000013800612 556742200 /nfs/dbraw/zinc/74/22/00/556742200.db2.gz KSDIAENSPJBCSQ-UHFFFAOYSA-N 0 0 429.423 2.782 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)NCc1cc2cc(Cl)ccc2[nH]1 ZINC000055576291 556742755 /nfs/dbraw/zinc/74/27/55/556742755.db2.gz WJDCNFUGDJIRSY-FQEVSTJZSA-N 0 0 428.895 2.967 50 0 IFAARN O=c1ccc(-c2ccco2)nn1CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000013799810 556742780 /nfs/dbraw/zinc/74/27/80/556742780.db2.gz JBCZPWHTMNJUTE-UHFFFAOYSA-N 0 0 427.404 2.891 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCc1cc2cc(Cl)ccc2[nH]1 ZINC000055576293 556742863 /nfs/dbraw/zinc/74/28/63/556742863.db2.gz WJDCNFUGDJIRSY-HXUWFJFHSA-N 0 0 428.895 2.967 50 0 IFAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000033047796 556743567 /nfs/dbraw/zinc/74/35/67/556743567.db2.gz IZNSMRYXGVCPIE-GFCCVEGCSA-N 0 0 439.433 2.556 50 0 IFAARN CC(C)Cn1c(SCC(=O)NCCc2c[nH]c3ccccc23)nnc1N1CCOCC1 ZINC000019353654 556745044 /nfs/dbraw/zinc/74/50/44/556745044.db2.gz LKZZKVWVNJXVQB-UHFFFAOYSA-N 0 0 442.589 2.703 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)CC1 ZINC000033048905 556745493 /nfs/dbraw/zinc/74/54/93/556745493.db2.gz INAGYPBLRMWRRS-UHFFFAOYSA-N 0 0 434.496 2.801 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2CS(=O)(=O)c2ccccc2)cc1Cl ZINC000096367023 556749141 /nfs/dbraw/zinc/74/91/41/556749141.db2.gz YVKVATQYRXPTAW-AWEZNQCLSA-N 0 0 429.947 2.976 50 0 IFAARN COCCn1ccc2c1cccc2NC(=O)C[C@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000206242722 556749444 /nfs/dbraw/zinc/74/94/44/556749444.db2.gz CRCSPIXTTJKRFT-HXUWFJFHSA-N 0 0 434.496 2.779 50 0 IFAARN CSCC[C@H]1NC(=O)c2cc(NC(=O)CCc3ccc4c(c3)CCO4)ccc2NC1=O ZINC000206256129 556749657 /nfs/dbraw/zinc/74/96/57/556749657.db2.gz ZEMISFJJJPGUNZ-LJQANCHMSA-N 0 0 439.537 2.996 50 0 IFAARN O=C(CCNC(=O)Nc1cccc(Cn2cccnc2=O)c1)N1CCCc2ccccc21 ZINC000057997441 556752143 /nfs/dbraw/zinc/75/21/43/556752143.db2.gz YQWOCOSIROHMTD-UHFFFAOYSA-N 0 0 431.496 2.783 50 0 IFAARN Cc1nccn1-c1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000058014414 556753680 /nfs/dbraw/zinc/75/36/80/556753680.db2.gz NTHKUFSUXVQPSU-UHFFFAOYSA-N 0 0 432.933 2.771 50 0 IFAARN COCCn1ncc2ccc(NS(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)cc21 ZINC000058015318 556753981 /nfs/dbraw/zinc/75/39/81/556753981.db2.gz IUWZRMJJKSXFNM-AWEZNQCLSA-N 0 0 428.514 2.781 50 0 IFAARN COCCn1ncc2ccc(NS(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)cc21 ZINC000058015316 556754017 /nfs/dbraw/zinc/75/40/17/556754017.db2.gz IUWZRMJJKSXFNM-CQSZACIVSA-N 0 0 428.514 2.781 50 0 IFAARN Cc1nn(C)c2ncc(NC(=O)N3CCN([C@H](C)C(=O)Nc4cccc(F)c4)CC3)cc12 ZINC000058024692 556754828 /nfs/dbraw/zinc/75/48/28/556754828.db2.gz ASOKDIUDIZEYFA-OAHLLOKOSA-N 0 0 439.495 2.593 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc(-n3cnnn3)c(C)c2)c1 ZINC000058048745 556755337 /nfs/dbraw/zinc/75/53/37/556755337.db2.gz CWFPGIVBGLLHON-UHFFFAOYSA-N 0 0 442.545 2.870 50 0 IFAARN O=C(NCc1ccc(-n2cncn2)nc1)Nc1ccc(-n2cncn2)cc1C(F)(F)F ZINC000058050428 556755447 /nfs/dbraw/zinc/75/54/47/556755447.db2.gz RYDBWPHUCNKHES-UHFFFAOYSA-N 0 0 429.366 2.584 50 0 IFAARN O=C(Cc1ccc(Br)cc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000011154559 556755548 /nfs/dbraw/zinc/75/55/48/556755548.db2.gz SWWNHPCQKYUFNS-UHFFFAOYSA-N 0 0 437.359 2.961 50 0 IFAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(-c4cc(=O)[nH]c(C)n4)cc3)CC2)c(C)o1 ZINC000058087822 556757344 /nfs/dbraw/zinc/75/73/44/556757344.db2.gz ALHUYGJKXPLBGS-UHFFFAOYSA-N 0 0 435.484 2.945 50 0 IFAARN CC(C)C[C@H](C(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000058109737 556758817 /nfs/dbraw/zinc/75/88/17/556758817.db2.gz IXDAFRZVLHQOBE-TZIWHRDSSA-N 0 0 449.507 2.580 50 0 IFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1cccc(Br)c1 ZINC000058119963 556759508 /nfs/dbraw/zinc/75/95/08/556759508.db2.gz KFKWWFHGDJKWOX-UHFFFAOYSA-N 0 0 438.274 2.606 50 0 IFAARN O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CC(S(=O)(=O)C2CCCCC2)C1 ZINC000096379891 556760742 /nfs/dbraw/zinc/76/07/42/556760742.db2.gz FCIYHIWUDJFFQF-UHFFFAOYSA-N 0 0 425.494 2.967 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000058139749 556760988 /nfs/dbraw/zinc/76/09/88/556760988.db2.gz HYTHEVIYSNDMSN-LPHOPBHVSA-N 0 0 448.614 2.715 50 0 IFAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)C1 ZINC000058157746 556763223 /nfs/dbraw/zinc/76/32/23/556763223.db2.gz MLPKMKXOUNTIJV-QGZVFWFLSA-N 0 0 448.520 2.552 50 0 IFAARN Cc1cccn2cc(-c3ccc(NC(=O)N4CCC[C@@H](NS(C)(=O)=O)C4)cc3)nc12 ZINC000058157739 556763276 /nfs/dbraw/zinc/76/32/76/556763276.db2.gz AGEIWEQHWAJZTC-GOSISDBHSA-N 0 0 427.530 2.855 50 0 IFAARN Cc1nc(NC(=O)[C@H](C)Cn2nc(-c3cccs3)ccc2=O)sc1C(=O)N(C)C ZINC000061984102 556763412 /nfs/dbraw/zinc/76/34/12/556763412.db2.gz HBSGYDYLKKWEMK-LLVKDONJSA-N 0 0 431.543 2.713 50 0 IFAARN CCn1c(=O)c(C(=O)CN(C)Cc2cccc(Cl)c2)c(N)n(Cc2ccccc2)c1=O ZINC000058160165 556764455 /nfs/dbraw/zinc/76/44/55/556764455.db2.gz PSIDOBRSXZVHEF-UHFFFAOYSA-N 0 0 440.931 2.629 50 0 IFAARN O=S1(=O)CC[C@H](N2CCN(c3ncnc4cc(-c5ccc(F)cc5)sc43)CC2)C1 ZINC000058160572 556764700 /nfs/dbraw/zinc/76/47/00/556764700.db2.gz UMIBYPQQWNGBLW-INIZCTEOSA-N 0 0 432.546 2.807 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)cc1 ZINC000062007335 556765682 /nfs/dbraw/zinc/76/56/82/556765682.db2.gz AGMQXVFTDSVRBC-UHFFFAOYSA-N 0 0 435.505 2.894 50 0 IFAARN O=C(NCc1cccnc1-n1cncn1)N[C@H](CN1CCCCCC1=O)c1ccccc1 ZINC000058163145 556766244 /nfs/dbraw/zinc/76/62/44/556766244.db2.gz MACFVKSLFKVMOY-HXUWFJFHSA-N 0 0 433.516 2.605 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(Cc2nc(-c3cccnc3)no2)C1 ZINC000062022915 556766369 /nfs/dbraw/zinc/76/63/69/556766369.db2.gz NHJRNMQKXUMDIL-LJQANCHMSA-N 0 0 448.527 2.819 50 0 IFAARN C[C@H](NC(=O)c1ccccc1NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000058170552 556767997 /nfs/dbraw/zinc/76/79/97/556767997.db2.gz KTRJQNKRYDSJDA-IBGZPJMESA-N 0 0 444.539 2.728 50 0 IFAARN Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccc(Oc3cccc(C(N)=O)c3)nc1)C2=O ZINC000058172177 556768561 /nfs/dbraw/zinc/76/85/61/556768561.db2.gz SUNMUCQDYPCDGL-UHFFFAOYSA-N 0 0 444.447 2.906 50 0 IFAARN CNC(=O)Cc1csc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)n1 ZINC000206600233 556769648 /nfs/dbraw/zinc/76/96/48/556769648.db2.gz SOGNVIMUUWQAEH-UHFFFAOYSA-N 0 0 436.541 2.744 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1C[C@H](C)O ZINC000206596825 556770148 /nfs/dbraw/zinc/77/01/48/556770148.db2.gz JZNANDFHNHKZDA-LBPRGKRZSA-N 0 0 447.538 2.746 50 0 IFAARN CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)N[C@@](C)(c2ccsc2)C1=O ZINC000058179885 556770327 /nfs/dbraw/zinc/77/03/27/556770327.db2.gz DTAAFQOTRZHZDO-IBGZPJMESA-N 0 0 435.527 2.954 50 0 IFAARN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1 ZINC000058203079 556771418 /nfs/dbraw/zinc/77/14/18/556771418.db2.gz XXJGSXQBWQYVSI-SJLPKXTDSA-N 0 0 437.606 2.711 50 0 IFAARN O=C(C[S@](=O)Cc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000058215777 556772528 /nfs/dbraw/zinc/77/25/28/556772528.db2.gz GFBVDCAMQIRFCB-LJAQVGFWSA-N 0 0 428.432 2.532 50 0 IFAARN Cc1ccc(NC(=O)NC[C@H]2CCCN(CC(=O)NC(=O)NCc3ccccc3)C2)cc1 ZINC000058224355 556773471 /nfs/dbraw/zinc/77/34/71/556773471.db2.gz NAHJHZYLPDEULH-HXUWFJFHSA-N 0 0 437.544 2.855 50 0 IFAARN O=C(NCc1ccc(N2CCOCC2)nc1)c1cccc(-n2cc(Br)cn2)c1 ZINC000058230468 556773973 /nfs/dbraw/zinc/77/39/73/556773973.db2.gz FEFGMFOWGJAJNM-UHFFFAOYSA-N 0 0 442.317 2.796 50 0 IFAARN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000058244599 556774812 /nfs/dbraw/zinc/77/48/12/556774812.db2.gz FDIIKXWVBKWSQK-INIZCTEOSA-N 0 0 427.448 2.854 50 0 IFAARN CNS(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1C ZINC000058310338 556779585 /nfs/dbraw/zinc/77/95/85/556779585.db2.gz OHOIWLHYXFAHFB-UHFFFAOYSA-N 0 0 448.522 2.722 50 0 IFAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)c(C)s1 ZINC000058326537 556781077 /nfs/dbraw/zinc/78/10/77/556781077.db2.gz ZVVHOPDEGQHVQB-NRFANRHFSA-N 0 0 427.482 2.971 50 0 IFAARN Cc1c2cc(Cl)ccc2oc1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000058378195 556783998 /nfs/dbraw/zinc/78/39/98/556783998.db2.gz PJBGEQKYORHJFA-UHFFFAOYSA-N 0 0 425.872 2.897 50 0 IFAARN O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000058403076 556785703 /nfs/dbraw/zinc/78/57/03/556785703.db2.gz XZJCJEVZFAEKST-QZTJIDSGSA-N 0 0 429.473 2.564 50 0 IFAARN C[C@@H]1CN(c2ccc(NC(=O)C3(NS(C)(=O)=O)CCCCC3)cc2F)C[C@H](C)O1 ZINC000058416137 556786604 /nfs/dbraw/zinc/78/66/04/556786604.db2.gz RJSRFNXBYRYRMM-GASCZTMLSA-N 0 0 427.542 2.630 50 0 IFAARN O=C(Nc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1)c1cccc(Br)c1 ZINC000058426215 556787927 /nfs/dbraw/zinc/78/79/27/556787927.db2.gz UOELQMREVFQCES-MRXNPFEDSA-N 0 0 437.315 2.618 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000058441662 556789197 /nfs/dbraw/zinc/78/91/97/556789197.db2.gz JNQKBVZTZVQWAL-VQIMIIECSA-N 0 0 433.911 2.694 50 0 IFAARN O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCC(Cn2ccnc2)CC1 ZINC000062128718 556790786 /nfs/dbraw/zinc/79/07/86/556790786.db2.gz WKKCVIAPMQXQDR-INIZCTEOSA-N 0 0 431.334 2.937 50 0 IFAARN O=C(C1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1)N1CCOCC1 ZINC000058637827 556790957 /nfs/dbraw/zinc/79/09/57/556790957.db2.gz GCOBJEQGZPYLIB-UHFFFAOYSA-N 0 0 435.362 2.968 50 0 IFAARN NS(=O)(=O)Cc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000058643877 556791030 /nfs/dbraw/zinc/79/10/30/556791030.db2.gz RKKURVFGBALXKL-UHFFFAOYSA-N 0 0 437.930 2.712 50 0 IFAARN Cn1cc(C(=O)N2CCN(c3nccs3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000011187387 556792436 /nfs/dbraw/zinc/79/24/36/556792436.db2.gz SDPAHYRYEUSPEX-UHFFFAOYSA-N 0 0 425.514 2.667 50 0 IFAARN Cc1cc(C)n(-c2ccc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)nn2)n1 ZINC000062163400 556797884 /nfs/dbraw/zinc/79/78/84/556797884.db2.gz XEAKCKSKUJLTGB-UHFFFAOYSA-N 0 0 434.500 2.541 50 0 IFAARN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(c2ccc(-n3nc(C)cc3C)nn2)C1 ZINC000062164003 556798071 /nfs/dbraw/zinc/79/80/71/556798071.db2.gz UBJGKSGDCQIBOY-KRWDZBQOSA-N 0 0 434.500 2.921 50 0 IFAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000059346308 556798268 /nfs/dbraw/zinc/79/82/68/556798268.db2.gz VYCUAVHGBMXRIZ-UHFFFAOYSA-N 0 0 427.482 2.864 50 0 IFAARN O=C(NCCn1ccc2ccc(F)cc21)c1cc(Br)ccc1-n1cnnn1 ZINC000072401330 556800186 /nfs/dbraw/zinc/80/01/86/556800186.db2.gz CGDCXEBEDQCTCN-UHFFFAOYSA-N 0 0 429.253 2.949 50 0 IFAARN Cn1ccnc1COc1ccc(CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 ZINC000059421056 556800463 /nfs/dbraw/zinc/80/04/63/556800463.db2.gz CHVXTPOVBDWPKC-QHCPKHFHSA-N 0 0 448.523 2.626 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000002650992 556802197 /nfs/dbraw/zinc/80/21/97/556802197.db2.gz NLPNNNLEPJYAFN-UHFFFAOYSA-N 0 0 446.525 2.919 50 0 IFAARN CC[C@]1(c2ccc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)cc2)CCC(=O)NC1=O ZINC000059988875 556805842 /nfs/dbraw/zinc/80/58/42/556805842.db2.gz BPEKUKNPRUVIEF-JOCHJYFZSA-N 0 0 443.525 2.703 50 0 IFAARN Cc1nn(CC(=O)N2CCCCC2)c(=O)c2c1nn(-c1ccc(F)cc1)c2-n1cccc1 ZINC000033058081 556807641 /nfs/dbraw/zinc/80/76/41/556807641.db2.gz FWVDQXOYVNULQA-UHFFFAOYSA-N 0 0 434.475 2.833 50 0 IFAARN COCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)CC1 ZINC000033058779 556807916 /nfs/dbraw/zinc/80/79/16/556807916.db2.gz HRSMQNPGGRXWNP-CMDGGOBGSA-N 0 0 447.557 2.625 50 0 IFAARN CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(F)cc2F)CC1 ZINC000033059051 556808206 /nfs/dbraw/zinc/80/82/06/556808206.db2.gz JXZDYHIZUCWMOR-FNORWQNLSA-N 0 0 439.484 2.968 50 0 IFAARN COc1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CCN(C(=O)COc2ccccc2C)C4)cc1 ZINC000097942013 556812738 /nfs/dbraw/zinc/81/27/38/556812738.db2.gz ZXTQGXCHFNJTSY-UHFFFAOYSA-N 0 0 444.491 2.970 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000003341161 556813075 /nfs/dbraw/zinc/81/30/75/556813075.db2.gz MQOQMISDTXHDPQ-UHFFFAOYSA-N 0 0 442.459 2.926 50 0 IFAARN COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)[C@H](C)C[NH+]2CCCCC2)CC4)cc1 ZINC000097942109 556813009 /nfs/dbraw/zinc/81/30/09/556813009.db2.gz SMEHUFNSWWAKGR-QGZVFWFLSA-N 0 0 449.555 2.705 50 0 IFAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccccc5F)CC4)c3CO2)cc1 ZINC000097943630 556813470 /nfs/dbraw/zinc/81/34/70/556813470.db2.gz MBTAAEZWJRXRME-OAQYLSRUSA-N 0 0 449.486 2.595 50 0 IFAARN CCOC(=O)c1noc2nc(C)n([C@H](CC)C(=O)Nc3ccccc3OCC)c(=O)c21 ZINC000033059526 556815646 /nfs/dbraw/zinc/81/56/46/556815646.db2.gz MSMFBBNUOTVLNT-CQSZACIVSA-N 0 0 428.445 2.858 50 0 IFAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CCc2ccccc21 ZINC000003544598 556817375 /nfs/dbraw/zinc/81/73/75/556817375.db2.gz TYBKHXXIVUJZCI-KRWDZBQOSA-N 0 0 442.537 2.996 50 0 IFAARN COc1ccc(C)cc1NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1N ZINC000003542098 556817417 /nfs/dbraw/zinc/81/74/17/556817417.db2.gz SUVWJCSBYUCYIU-QGZVFWFLSA-N 0 0 427.486 2.552 50 0 IFAARN Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 ZINC000033064592 556819039 /nfs/dbraw/zinc/81/90/39/556819039.db2.gz AFCSNPDPDRQEEE-UHFFFAOYSA-N 0 0 427.461 2.641 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(C)cc3)no2)cc1 ZINC000033062882 556819197 /nfs/dbraw/zinc/81/91/97/556819197.db2.gz ITCHLQQGRUUSBM-UHFFFAOYSA-N 0 0 442.497 2.882 50 0 IFAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)ccn3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000072402968 556819249 /nfs/dbraw/zinc/81/92/49/556819249.db2.gz YAOYOHNSEAHFOY-INIZCTEOSA-N 0 0 426.498 2.874 50 0 IFAARN COc1ccccc1CNC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000072403383 556823428 /nfs/dbraw/zinc/82/34/28/556823428.db2.gz XUJYMPSQKGRQHK-INIZCTEOSA-N 0 0 430.936 2.885 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000005519903 556827062 /nfs/dbraw/zinc/82/70/62/556827062.db2.gz RXEWNYZQGWEPRF-BHIYHBOVSA-N 0 0 425.547 2.821 50 0 IFAARN Cc1cccc(CNC(=O)c2nn(C)c3c2CN(S(=O)(=O)c2ccccc2C)CC3)c1 ZINC000064893198 556828270 /nfs/dbraw/zinc/82/82/70/556828270.db2.gz OLTFOLZNZNWDTP-UHFFFAOYSA-N 0 0 438.553 2.714 50 0 IFAARN COc1cc(NC(=O)N2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc(OC)c1 ZINC000064893656 556828579 /nfs/dbraw/zinc/82/85/79/556828579.db2.gz PIYBFHRYWPYYPT-UHFFFAOYSA-N 0 0 427.505 2.654 50 0 IFAARN Cc1ccnc(N2CCC[C@H](C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)C2)n1 ZINC000065001278 556830203 /nfs/dbraw/zinc/83/02/03/556830203.db2.gz ANTYOUHZEDDGGV-IBGZPJMESA-N 0 0 442.995 2.593 50 0 IFAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1cccc(-c3ccc(=O)[nH]n3)c1)C2=O ZINC000062580353 556836130 /nfs/dbraw/zinc/83/61/30/556836130.db2.gz QHMYISDXHPOZEJ-QKFKETGDSA-N 0 0 437.500 2.512 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)cc1Cl ZINC000019645425 556839843 /nfs/dbraw/zinc/83/98/43/556839843.db2.gz KZIJJSQZRIZCJO-UHFFFAOYSA-N 0 0 446.953 2.791 50 0 IFAARN O=C1C[C@@H](N(O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000096786945 556842682 /nfs/dbraw/zinc/84/26/82/556842682.db2.gz NLJPYVXYHVMUHZ-IYBDPMFKSA-N 0 0 448.262 2.649 50 0 IFAARN Cc1cc(C)n(CCCNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)n1 ZINC000008724335 556843541 /nfs/dbraw/zinc/84/35/41/556843541.db2.gz PRWNYDIEWLXZCB-UHFFFAOYSA-N 0 0 445.523 2.502 50 0 IFAARN Cc1cc(NC(=O)CN2CCN(C[C@H](O)COc3ccc(C(C)(C)C)cc3C)CC2)no1 ZINC000096837094 556846997 /nfs/dbraw/zinc/84/69/97/556846997.db2.gz NFDAAKKBKSNIIX-FQEVSTJZSA-N 0 0 444.576 2.585 50 0 IFAARN O=C(CN1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1)Nc1cccc(F)c1 ZINC000096875454 556848038 /nfs/dbraw/zinc/84/80/38/556848038.db2.gz ZZCGRJSTLFZCLV-UHFFFAOYSA-N 0 0 449.465 2.854 50 0 IFAARN COc1ccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000008938840 556853077 /nfs/dbraw/zinc/85/30/77/556853077.db2.gz OTWCPABELICPQL-UHFFFAOYSA-N 0 0 448.541 2.604 50 0 IFAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCCN3CC[NH+](CC)CC3)C2)s1 ZINC000033078334 556853284 /nfs/dbraw/zinc/85/32/84/556853284.db2.gz UOPTYBZNGOQLML-SFHVURJKSA-N 0 0 444.649 2.614 50 0 IFAARN O=c1ccc2cc(S(=O)(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)ccc2[nH]1 ZINC000033077200 556854339 /nfs/dbraw/zinc/85/43/39/556854339.db2.gz UGMFMFVLGAYRDK-UHFFFAOYSA-N 0 0 429.517 2.858 50 0 IFAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)N1CCNC1=O ZINC000008985767 556854495 /nfs/dbraw/zinc/85/44/95/556854495.db2.gz ZZAJEBRSWHIBKT-UHFFFAOYSA-N 0 0 434.572 2.844 50 0 IFAARN Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000033088114 556856003 /nfs/dbraw/zinc/85/60/03/556856003.db2.gz MDBZPOBUSGUORU-LBPRGKRZSA-N 0 0 442.252 2.994 50 0 IFAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)ccc1OC(C)C ZINC000033088107 556856017 /nfs/dbraw/zinc/85/60/17/556856017.db2.gz KDABYADPSBIIFH-OAHLLOKOSA-N 0 0 433.472 2.888 50 0 IFAARN CCOC(=O)[C@H](C)NC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033113084 556859710 /nfs/dbraw/zinc/85/97/10/556859710.db2.gz GYJBLXWMOXDAGV-QWHCGFSZSA-N 0 0 449.508 2.770 50 0 IFAARN CCOC(=O)CNC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(C)cc3)s2)C1 ZINC000033113331 556859879 /nfs/dbraw/zinc/85/98/79/556859879.db2.gz DCRPFZOAQAZXBL-CQSZACIVSA-N 0 0 431.518 2.551 50 0 IFAARN COc1cc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000033122474 556863186 /nfs/dbraw/zinc/86/31/86/556863186.db2.gz XAYPIGNGJCTCBC-UHFFFAOYSA-N 0 0 433.530 2.987 50 0 IFAARN Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)NCc3ccco3)c1)NC(=O)CCC2=O ZINC000033123054 556864072 /nfs/dbraw/zinc/86/40/72/556864072.db2.gz LOEIXCFXRPENOW-UHFFFAOYSA-N 0 0 428.470 2.611 50 0 IFAARN CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000033124616 556864420 /nfs/dbraw/zinc/86/44/20/556864420.db2.gz WEWKOZGGXIOYBX-QGZVFWFLSA-N 0 0 425.416 2.574 50 0 IFAARN COc1ccccc1NC(=O)N1CCN(Cc2nc3cc(C(=O)N(C)C)ccc3o2)CC1 ZINC000033127415 556867702 /nfs/dbraw/zinc/86/77/02/556867702.db2.gz RBUBHZCBUINONU-UHFFFAOYSA-N 0 0 437.500 2.888 50 0 IFAARN COC(=O)c1cc(S(N)(=O)=O)ccc1NCCc1ccc(F)c(Br)c1 ZINC000071969059 556876169 /nfs/dbraw/zinc/87/61/69/556876169.db2.gz CGSLSSSQLRXAEG-UHFFFAOYSA-N 0 0 431.283 2.677 50 0 IFAARN CCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O ZINC000033140923 556876554 /nfs/dbraw/zinc/87/65/54/556876554.db2.gz YVABYWSKWVIVOJ-UHFFFAOYSA-N 0 0 441.557 2.804 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2cccs2)CC3)n1CC ZINC000033141856 556877210 /nfs/dbraw/zinc/87/72/10/556877210.db2.gz VSVWQGSJCDYKEP-UHFFFAOYSA-N 0 0 438.604 2.619 50 0 IFAARN CC(C)n1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000033141028 556877229 /nfs/dbraw/zinc/87/72/29/556877229.db2.gz OGRIIMWZUNBJTH-UHFFFAOYSA-N 0 0 445.520 2.969 50 0 IFAARN Cc1ccc(CNC(=O)c2nnc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)o1 ZINC000033170027 556885211 /nfs/dbraw/zinc/88/52/11/556885211.db2.gz RJGOLABBXGNOCX-UHFFFAOYSA-N 0 0 430.486 2.743 50 0 IFAARN COCc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)o1 ZINC000019742757 556886715 /nfs/dbraw/zinc/88/67/15/556886715.db2.gz NFVAJLAGMCLZKN-NRFANRHFSA-N 0 0 438.532 2.598 50 0 IFAARN Cn1cc(C(=O)N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)c2ccccc21 ZINC000019742712 556886736 /nfs/dbraw/zinc/88/67/36/556886736.db2.gz ZIFPEOIOKMZILI-DNQXCXABSA-N 0 0 436.531 2.715 50 0 IFAARN O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)NCc1cccc(C(F)(F)F)c1 ZINC000016030477 556890701 /nfs/dbraw/zinc/89/07/01/556890701.db2.gz SIYAFSFQNAMZQK-DLBZAZTESA-N 0 0 447.457 2.909 50 0 IFAARN CCn1nc(C)c(CCNC(=O)CC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C ZINC000033254559 556890836 /nfs/dbraw/zinc/89/08/36/556890836.db2.gz OOXGYFDSHGILEI-UHFFFAOYSA-N 0 0 446.617 2.978 50 0 IFAARN Cc1ccc(-c2ccnc(-n3ncc(C(=O)NCCCN4CCOCC4)c3C3CC3)n2)o1 ZINC000019746025 556891970 /nfs/dbraw/zinc/89/19/70/556891970.db2.gz SKUPKSHWLJDNHA-UHFFFAOYSA-N 0 0 436.516 2.560 50 0 IFAARN COc1ccc(-c2noc(CN3CCN(C(=O)c4cccs4)CC3)n2)c(OC)c1OC ZINC000019745294 556892069 /nfs/dbraw/zinc/89/20/69/556892069.db2.gz DZFMZGDRBVSQCY-UHFFFAOYSA-N 0 0 444.513 2.782 50 0 IFAARN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1Cl ZINC000072115814 556897827 /nfs/dbraw/zinc/89/78/27/556897827.db2.gz BSUWABGUXJDFPG-UHFFFAOYSA-N 0 0 429.956 2.544 50 0 IFAARN Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nn2)nc1 ZINC000072139268 556898944 /nfs/dbraw/zinc/89/89/44/556898944.db2.gz JEDLZIYPJFILFB-UHFFFAOYSA-N 0 0 428.493 2.574 50 0 IFAARN Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)nn2)nc1 ZINC000072139308 556899306 /nfs/dbraw/zinc/89/93/06/556899306.db2.gz VOTOQWOPLBMVMI-UHFFFAOYSA-N 0 0 446.483 2.713 50 0 IFAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)CC1)c1ccccc1 ZINC000033262071 556900152 /nfs/dbraw/zinc/90/01/52/556900152.db2.gz OIYUBZPRIGODLU-HNNXBMFYSA-N 0 0 428.514 2.948 50 0 IFAARN O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)s1 ZINC000033263381 556901505 /nfs/dbraw/zinc/90/15/05/556901505.db2.gz GRQBOUZXSBGLCK-KRWDZBQOSA-N 0 0 449.536 2.959 50 0 IFAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1 ZINC000033262244 556901737 /nfs/dbraw/zinc/90/17/37/556901737.db2.gz JPXPQBBNTXAEJH-HNNXBMFYSA-N 0 0 432.477 2.526 50 0 IFAARN COc1ccc(OC)c(NC(=S)N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)c1 ZINC000019799193 556917000 /nfs/dbraw/zinc/91/70/00/556917000.db2.gz JBUULKPMQNJYGW-LLVKDONJSA-N 0 0 429.757 2.958 50 0 IFAARN CCc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000019831196 556926509 /nfs/dbraw/zinc/92/65/09/556926509.db2.gz HJDMICLCRCWZFX-UHFFFAOYSA-N 0 0 446.954 2.914 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c1 ZINC000019831784 556927022 /nfs/dbraw/zinc/92/70/22/556927022.db2.gz WEBCPYCAVWBQTF-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN O=C(NCCc1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2)c1ccoc1 ZINC000019836261 556927944 /nfs/dbraw/zinc/92/79/44/556927944.db2.gz NUYBMEVJVXDGAB-UHFFFAOYSA-N 0 0 433.434 2.921 50 0 IFAARN O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000019839969 556929079 /nfs/dbraw/zinc/92/90/79/556929079.db2.gz IZZSPNLMJVEZSB-OAQYLSRUSA-N 0 0 427.589 2.576 50 0 IFAARN O=C([C@@H]1CCC(=O)N(CCCN2CCOCC2)C1)N1CCC(CCc2ccccc2)CC1 ZINC000019839266 556929192 /nfs/dbraw/zinc/92/91/92/556929192.db2.gz BZTNTINBHLKDAR-XMMPIXPASA-N 0 0 441.616 2.819 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)cc1 ZINC000019857851 556931732 /nfs/dbraw/zinc/93/17/32/556931732.db2.gz OOIILCUJLZWAGJ-GOSISDBHSA-N 0 0 430.526 2.962 50 0 IFAARN O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NCCN1CCOCC1 ZINC000019860626 556932803 /nfs/dbraw/zinc/93/28/03/556932803.db2.gz XUFRHWPICGJUIO-UHFFFAOYSA-N 0 0 444.454 2.842 50 0 IFAARN COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1 ZINC000019863376 556934159 /nfs/dbraw/zinc/93/41/59/556934159.db2.gz WGAPBHJSAAOQDM-QGZVFWFLSA-N 0 0 434.489 2.793 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019862888 556934231 /nfs/dbraw/zinc/93/42/31/556934231.db2.gz ORNXPHKLGSQVLQ-MRXNPFEDSA-N 0 0 434.489 2.777 50 0 IFAARN COc1ccc(CCN2CNc3c(c(=O)[nH]c(=S)n3Cc3ccco3)C2)cc1OC ZINC000019874664 556935740 /nfs/dbraw/zinc/93/57/40/556935740.db2.gz WQMAXPVQDRFPLT-UHFFFAOYSA-N 0 0 428.514 2.992 50 0 IFAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC ZINC000019894135 556940014 /nfs/dbraw/zinc/94/00/14/556940014.db2.gz JKKTTWYHKIQCJE-WOJBJXKFSA-N 0 0 428.485 2.688 50 0 IFAARN CN1c2cnc(Nc3ccc(Cn4cncn4)cc3)nc2-c2sccc2S1(=O)=O ZINC000019894262 556940433 /nfs/dbraw/zinc/94/04/33/556940433.db2.gz APJMEMOQZSVFCF-UHFFFAOYSA-N 0 0 425.499 2.727 50 0 IFAARN O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000019902775 556942309 /nfs/dbraw/zinc/94/23/09/556942309.db2.gz HDCVTGMPTXIULD-JOCHJYFZSA-N 0 0 427.570 2.574 50 0 IFAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019924412 556944219 /nfs/dbraw/zinc/94/42/19/556944219.db2.gz QNVWFCKCXYYMNY-UHFFFAOYSA-N 0 0 428.432 2.941 50 0 IFAARN COc1ccc(OC)c(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000019944413 556954228 /nfs/dbraw/zinc/95/42/28/556954228.db2.gz VWLQAPAHUFVAFM-UHFFFAOYSA-N 0 0 435.532 2.532 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 ZINC000020026863 556967245 /nfs/dbraw/zinc/96/72/45/556967245.db2.gz SSXHSBALTRXSJL-UHFFFAOYSA-N 0 0 431.558 2.802 50 0 IFAARN CC(=O)N1CCN(Cc2nc3cc(NC(=O)COc4cccc(C)c4)ccc3n2C)CC1 ZINC000020029197 556968166 /nfs/dbraw/zinc/96/81/66/556968166.db2.gz ZTEZSLQDVXVQRM-UHFFFAOYSA-N 0 0 435.528 2.563 50 0 IFAARN NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1 ZINC000097027876 556979258 /nfs/dbraw/zinc/97/92/58/556979258.db2.gz KAXIEQMMTKQSLA-UHFFFAOYSA-N 0 0 439.331 2.822 50 0 IFAARN COCCN(C(=O)Nc1ccccc1N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000097032907 556979541 /nfs/dbraw/zinc/97/95/41/556979541.db2.gz ZJBNZWWBIWTUCP-LJQANCHMSA-N 0 0 431.558 2.990 50 0 IFAARN COc1cc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc(OC)c1OC ZINC000020100688 556980359 /nfs/dbraw/zinc/98/03/59/556980359.db2.gz PMWNBVQXCNNRNG-UHFFFAOYSA-N 0 0 445.541 2.671 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000033267466 556981822 /nfs/dbraw/zinc/98/18/22/556981822.db2.gz OPWLMDRJZUEZQQ-OAHLLOKOSA-N 0 0 433.468 2.734 50 0 IFAARN COc1cc(C)c(-c2nc(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(C)o2)cc1C ZINC000020149574 556990682 /nfs/dbraw/zinc/99/06/82/556990682.db2.gz NZDZLUPCDHIENO-GOSISDBHSA-N 0 0 433.574 2.580 50 0 IFAARN N=c1n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1cccc(Br)c1 ZINC000020149835 556990945 /nfs/dbraw/zinc/99/09/45/556990945.db2.gz ITPQGJWRZHISNX-UHFFFAOYSA-N 0 0 443.345 2.900 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(F)cc3)C4)CC2)cc1 ZINC000097151800 556993036 /nfs/dbraw/zinc/99/30/36/556993036.db2.gz GTOYRYVIBQKXIX-JOCHJYFZSA-N 0 0 449.486 2.854 50 0 IFAARN COC[C@H]1CCCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)C1 ZINC000076910777 556993992 /nfs/dbraw/zinc/99/39/92/556993992.db2.gz AYBJEWWPEGSUAW-KRWDZBQOSA-N 0 0 430.545 2.974 50 0 IFAARN Cc1cnc(-n2ncc(C(=O)NCCN3CCOCC3)c2C2CC2)nc1-c1cccs1 ZINC000020168254 556994245 /nfs/dbraw/zinc/99/42/45/556994245.db2.gz HMCBUQAHLABNKP-UHFFFAOYSA-N 0 0 438.557 2.639 50 0 IFAARN CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCC[C@@H](C)C4)CC3)c2c1 ZINC000020177469 556995714 /nfs/dbraw/zinc/99/57/14/556995714.db2.gz XXDYAWKGAGMQHO-GOSISDBHSA-N 0 0 427.545 2.568 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC(C)(C)N3CCOCC3)c2)cc1F ZINC000023078563 556996020 /nfs/dbraw/zinc/99/60/20/556996020.db2.gz XWAUZGYRWRUAJY-UHFFFAOYSA-N 0 0 449.548 2.776 50 0 IFAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CS2 ZINC000023078588 556996196 /nfs/dbraw/zinc/99/61/96/556996196.db2.gz BQPONQOFTKTVRG-YJBOKZPZSA-N 0 0 429.464 2.935 50 0 IFAARN COc1cccc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000011244214 556998396 /nfs/dbraw/zinc/99/83/96/556998396.db2.gz SCUBRXACHRPRGD-UHFFFAOYSA-N 0 0 435.473 2.661 50 0 IFAARN Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(F)c1 ZINC000011248441 557000471 /nfs/dbraw/zinc/00/04/71/557000471.db2.gz NMBSFYVDOSNVRD-UHFFFAOYSA-N 0 0 431.533 2.568 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@H]2CCCN2c2ncnc3ccccc32)cc(C(=O)OC)c1 ZINC000011247324 557000475 /nfs/dbraw/zinc/00/04/75/557000475.db2.gz SCWLPRHOWGDRSL-LJQANCHMSA-N 0 0 434.452 2.811 50 0 IFAARN COc1cccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCOCC2)c1 ZINC000023105936 557000943 /nfs/dbraw/zinc/00/09/43/557000943.db2.gz AVQWXJDPRDPFDA-LJQANCHMSA-N 0 0 430.501 2.524 50 0 IFAARN Cc1cc(=O)c(C(=O)NC(C)C)c(Cc2cccc(F)c2)n1CCCN1CCOCC1 ZINC000020234570 557001909 /nfs/dbraw/zinc/00/19/09/557001909.db2.gz NRQMHOKTXZNGHF-UHFFFAOYSA-N 0 0 429.536 2.747 50 0 IFAARN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc32)N2CCOCC2)cc1 ZINC000023107498 557002169 /nfs/dbraw/zinc/00/21/69/557002169.db2.gz LYCCUFNTWWNLNY-HSZRJFAPSA-N 0 0 448.523 2.680 50 0 IFAARN COc1ccccc1[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1CCN1CCOCC1 ZINC000020308193 557006600 /nfs/dbraw/zinc/00/66/00/557006600.db2.gz PSDFMXZLTXNLCP-NRFANRHFSA-N 0 0 438.455 2.818 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCCC[C@@H]2C)C1 ZINC000020356773 557010824 /nfs/dbraw/zinc/01/08/24/557010824.db2.gz AITZGEKYOSYEOU-ZACQAIPSSA-N 0 0 449.573 2.662 50 0 IFAARN COc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(CC(C)C)c3=O)n2)cc1OC ZINC000023126761 557011352 /nfs/dbraw/zinc/01/13/52/557011352.db2.gz YDJYNCYFESIRBH-UHFFFAOYSA-N 0 0 436.468 2.935 50 0 IFAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3c2nc[nH]c3=O)cc1 ZINC000020394342 557013211 /nfs/dbraw/zinc/01/32/11/557013211.db2.gz ACJJRLCUUOTOMX-UHFFFAOYSA-N 0 0 449.492 2.919 50 0 IFAARN Cc1ccccc1-c1noc(Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)n1 ZINC000045971200 557013925 /nfs/dbraw/zinc/01/39/25/557013925.db2.gz NGDUZFDZQXXNLP-UHFFFAOYSA-N 0 0 435.394 2.721 50 0 IFAARN CC1CCN(c2cc3c(cc2NC(=O)Cc2cccs2)n(C)c(=O)c(=O)n3C)CC1 ZINC000045994451 557014588 /nfs/dbraw/zinc/01/45/88/557014588.db2.gz KFKLUMYYCLCVAM-UHFFFAOYSA-N 0 0 426.542 2.716 50 0 IFAARN CSc1nn(CC(=O)Nc2ccc(C(C)=O)cc2)c(N)c1S(=O)(=O)c1ccccc1 ZINC000045986733 557016083 /nfs/dbraw/zinc/01/60/83/557016083.db2.gz PNWLSMATWVIVMX-UHFFFAOYSA-N 0 0 444.538 2.861 50 0 IFAARN CSc1nn(CC(=O)Nc2ccc(F)cc2F)c(N)c1S(=O)(=O)c1ccccc1 ZINC000045986707 557016091 /nfs/dbraw/zinc/01/60/91/557016091.db2.gz ATFUIWKDPYUXPT-UHFFFAOYSA-N 0 0 438.481 2.937 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 ZINC000023134312 557017023 /nfs/dbraw/zinc/01/70/23/557017023.db2.gz NNMZOSSFSDMCMC-UHFFFAOYSA-N 0 0 447.326 2.692 50 0 IFAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000010701707 557019817 /nfs/dbraw/zinc/01/98/17/557019817.db2.gz JYNVKMAOHCHIRI-UHFFFAOYSA-N 0 0 449.511 2.691 50 0 IFAARN COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)CCC1CCCCC1)CC2 ZINC000010705345 557020028 /nfs/dbraw/zinc/02/00/28/557020028.db2.gz IJBMGOVRSAQCEY-UHFFFAOYSA-N 0 0 438.590 2.868 50 0 IFAARN CCc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000010734026 557021999 /nfs/dbraw/zinc/02/19/99/557021999.db2.gz JNFIJTYTEKFJSR-INIZCTEOSA-N 0 0 431.510 2.698 50 0 IFAARN COc1ccccc1N1CCN(c2nnc(SCC(=O)Nc3cc(C)on3)s2)CC1 ZINC000023139934 557022771 /nfs/dbraw/zinc/02/27/71/557022771.db2.gz DNAZIKDOBJBTPM-UHFFFAOYSA-N 0 0 446.558 2.901 50 0 IFAARN Cc1ccc(C)c(Cn2nc(C3CCN(S(C)(=O)=O)CC3)n(-c3cccs3)c2=O)c1 ZINC000023141027 557022983 /nfs/dbraw/zinc/02/29/83/557022983.db2.gz ILHOWRNEZVJEER-UHFFFAOYSA-N 0 0 446.598 2.900 50 0 IFAARN NC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 ZINC000023141573 557023448 /nfs/dbraw/zinc/02/34/48/557023448.db2.gz YYYDMMRGOBVGQB-UHFFFAOYSA-N 0 0 439.566 2.745 50 0 IFAARN CCn1nc(-c2ccc(C)c(S(=O)(=O)NC[C@H]3CCCO3)c2)c2c(c1=O)CCCC2 ZINC000046027508 557023637 /nfs/dbraw/zinc/02/36/37/557023637.db2.gz YGSPFNJYZCUZQP-QGZVFWFLSA-N 0 0 431.558 2.575 50 0 IFAARN CCn1nc(-c2ccc(OC)c(S(=O)(=O)N3CCSCC3)c2)c2c(c1=O)CCCC2 ZINC000046027759 557024101 /nfs/dbraw/zinc/02/41/01/557024101.db2.gz UWCFOZQRYATKQX-UHFFFAOYSA-N 0 0 449.598 2.555 50 0 IFAARN O=C(CCc1ccc2c(c1)OCCO2)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010763237 557025326 /nfs/dbraw/zinc/02/53/26/557025326.db2.gz QUJBSHWPABFBNF-UHFFFAOYSA-N 0 0 438.480 2.996 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C ZINC000046045832 557025769 /nfs/dbraw/zinc/02/57/69/557025769.db2.gz HTEZXABVJKKPNS-UHFFFAOYSA-N 0 0 441.528 2.814 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@@H](C(=O)NCc3ccccn3)C2)c1C ZINC000046046337 557026281 /nfs/dbraw/zinc/02/62/81/557026281.db2.gz VGQUZVUKDZEFGH-GOSISDBHSA-N 0 0 440.544 2.691 50 0 IFAARN CCOc1ccc(-n2ccn3c(SCC(=O)NCCc4ccccc4)nnc3c2=O)cc1 ZINC000046047805 557028356 /nfs/dbraw/zinc/02/83/56/557028356.db2.gz UITGGGOIYQVSMT-UHFFFAOYSA-N 0 0 449.536 2.730 50 0 IFAARN Cc1cc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)ccc1Br ZINC000010833766 557032948 /nfs/dbraw/zinc/03/29/48/557032948.db2.gz JLAQBCQFPKAHQZ-HNNXBMFYSA-N 0 0 441.347 2.978 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)c1 ZINC000046081274 557035595 /nfs/dbraw/zinc/03/55/95/557035595.db2.gz SYCYIBRZCCAELX-UHFFFAOYSA-N 0 0 435.480 2.893 50 0 IFAARN O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1 ZINC000017191056 557035979 /nfs/dbraw/zinc/03/59/79/557035979.db2.gz WFFFUTBKWFTOEN-LJQANCHMSA-N 0 0 446.525 2.835 50 0 IFAARN O=C(NCc1cccs1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1 ZINC000017191116 557036009 /nfs/dbraw/zinc/03/60/09/557036009.db2.gz JZZZKXGFBKIZSH-QGZVFWFLSA-N 0 0 434.564 2.757 50 0 IFAARN O=C(NCCCc1ccccc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000017178831 557038166 /nfs/dbraw/zinc/03/81/66/557038166.db2.gz NSDOGSBXASHDJP-OAQYLSRUSA-N 0 0 440.521 2.660 50 0 IFAARN CN(C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1C(=O)NCc1ccco1 ZINC000022779682 557042577 /nfs/dbraw/zinc/04/25/77/557042577.db2.gz CRKONUXXBHTDJZ-UHFFFAOYSA-N 0 0 446.551 2.990 50 0 IFAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc32)no1 ZINC000046145490 557043667 /nfs/dbraw/zinc/04/36/67/557043667.db2.gz YPZBWJZZLBHCAS-UHFFFAOYSA-N 0 0 434.861 2.758 50 0 IFAARN CCCCS(=O)(=O)c1cc2c(cc1NC(=O)c1ccc(OC)cc1)n(C)c(=O)n2C ZINC000046146151 557044395 /nfs/dbraw/zinc/04/43/95/557044395.db2.gz ISMAWRYSVARHPL-UHFFFAOYSA-N 0 0 431.514 2.712 50 0 IFAARN CCCCS(=O)(=O)c1cc2c(cc1NC(=O)COc1ccccc1C)n(C)c(=O)n2C ZINC000046146165 557044582 /nfs/dbraw/zinc/04/45/82/557044582.db2.gz MAHIASQUOGCSHT-UHFFFAOYSA-N 0 0 445.541 2.777 50 0 IFAARN CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)C1=O ZINC000017288364 557045768 /nfs/dbraw/zinc/04/57/68/557045768.db2.gz VTTNXLAHFCECHI-UHFFFAOYSA-N 0 0 429.498 2.574 50 0 IFAARN O=C(NCCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048235059 557046454 /nfs/dbraw/zinc/04/64/54/557046454.db2.gz IUXAMJGLKHRYMR-OAHLLOKOSA-N 0 0 427.471 2.946 50 0 IFAARN Cc1cc(C)n(Cc2cccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)c2)n1 ZINC000048236864 557047526 /nfs/dbraw/zinc/04/75/26/557047526.db2.gz HHTVRQOUHURIQN-UHFFFAOYSA-N 0 0 442.541 2.856 50 0 IFAARN Cc1cc(C)n(C[C@H](C)CNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)n1 ZINC000048236950 557047662 /nfs/dbraw/zinc/04/76/62/557047662.db2.gz RFNRBQQCVIRMBL-VOIUYBSRSA-N 0 0 437.544 2.641 50 0 IFAARN CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccc2nnc(C)n2n1 ZINC000033271274 557048900 /nfs/dbraw/zinc/04/89/00/557048900.db2.gz CGTZFMOCSFJZIK-HNNXBMFYSA-N 0 0 433.472 2.890 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000048260313 557048975 /nfs/dbraw/zinc/04/89/75/557048975.db2.gz WESOMYQDKZQNDJ-UHFFFAOYSA-N 0 0 439.578 2.510 50 0 IFAARN CCc1ccc([C@H](C)NC(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000022929614 557049474 /nfs/dbraw/zinc/04/94/74/557049474.db2.gz WQKWQQRBVBUYLY-HBMCJLEFSA-N 0 0 428.621 2.548 50 0 IFAARN CCOc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000022930912 557049695 /nfs/dbraw/zinc/04/96/95/557049695.db2.gz UQVZSZCXVMTHTO-UHFFFAOYSA-N 0 0 444.963 2.611 50 0 IFAARN C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(CC(=O)NC2CC2)CC1 ZINC000022932660 557050724 /nfs/dbraw/zinc/05/07/24/557050724.db2.gz WOXHYZIZWQHYIN-GFCCVEGCSA-N 0 0 432.874 2.582 50 0 IFAARN C[C@@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)Cc1nc(Cc2ccccc2)no1 ZINC000048273996 557051241 /nfs/dbraw/zinc/05/12/41/557051241.db2.gz SIPLSHHLILJRQK-INIZCTEOSA-N 0 0 425.510 2.943 50 0 IFAARN COc1cc2nc(CN3CCN(Cc4ccc(Cl)cc4)CC3)[nH]c(=O)c2cc1OC ZINC000022933862 557051750 /nfs/dbraw/zinc/05/17/50/557051750.db2.gz HHADYNJBZKAIKD-UHFFFAOYSA-N 0 0 428.920 2.912 50 0 IFAARN CCOCCCNC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000017306888 557052346 /nfs/dbraw/zinc/05/23/46/557052346.db2.gz RGFQFXAQHYRGBB-OAHLLOKOSA-N 0 0 446.529 2.516 50 0 IFAARN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000048253985 557052415 /nfs/dbraw/zinc/05/24/15/557052415.db2.gz VXNYAGBIISIDFL-CJNGLKHVSA-N 0 0 437.418 2.897 50 0 IFAARN C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000048253983 557052578 /nfs/dbraw/zinc/05/25/78/557052578.db2.gz VXNYAGBIISIDFL-BBRMVZONSA-N 0 0 437.418 2.897 50 0 IFAARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000017307928 557054225 /nfs/dbraw/zinc/05/42/25/557054225.db2.gz OWHHLGJARGPMKN-INIZCTEOSA-N 0 0 431.514 2.849 50 0 IFAARN COc1ccc(NC(=O)NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 ZINC000022987048 557056053 /nfs/dbraw/zinc/05/60/53/557056053.db2.gz BOIDUGIQUAQYLO-UHFFFAOYSA-N 0 0 431.246 2.516 50 0 IFAARN COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(-c3noc(C)n3)ccc2C)cc1 ZINC000033276178 557056029 /nfs/dbraw/zinc/05/60/29/557056029.db2.gz GYYXEGMJFCRISO-ZDUSSCGKSA-N 0 0 430.486 2.668 50 0 IFAARN C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000048277842 557056816 /nfs/dbraw/zinc/05/68/16/557056816.db2.gz CXUODXGUASQVCX-INIZCTEOSA-N 0 0 430.530 2.644 50 0 IFAARN CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc21 ZINC000017316331 557056930 /nfs/dbraw/zinc/05/69/30/557056930.db2.gz RARPIBMQPPUEPH-UHFFFAOYSA-N 0 0 440.543 2.607 50 0 IFAARN CCCCN(C)S(=O)(=O)c1cc(-c2c(C)nn3c2NC(=O)CCC3=O)ccc1OC ZINC000033276608 557057222 /nfs/dbraw/zinc/05/72/22/557057222.db2.gz MEILODBZASSQHH-UHFFFAOYSA-N 0 0 434.518 2.660 50 0 IFAARN O=S(=O)(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)N1CCCCCC1 ZINC000048279553 557057338 /nfs/dbraw/zinc/05/73/38/557057338.db2.gz AOCJZSXJLDFFQD-UHFFFAOYSA-N 0 0 447.580 2.758 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)cc1 ZINC000023025679 557058120 /nfs/dbraw/zinc/05/81/20/557058120.db2.gz LASBKMGQRYTFAQ-UHFFFAOYSA-N 0 0 432.514 2.816 50 0 IFAARN O=C(NCCNc1ncc(Cl)cc1Cl)c1nc(N2CCOCC2)ncc1Cl ZINC000048303380 557058680 /nfs/dbraw/zinc/05/86/80/557058680.db2.gz TYXUCKMARUTCCC-UHFFFAOYSA-N 0 0 431.711 2.510 50 0 IFAARN O=C(CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)N1CCc2ccccc2C1 ZINC000010876054 557059746 /nfs/dbraw/zinc/05/97/46/557059746.db2.gz NKAGPFVKVWUMMO-IBGZPJMESA-N 0 0 427.574 2.734 50 0 IFAARN CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000048309430 557059918 /nfs/dbraw/zinc/05/99/18/557059918.db2.gz JMECWIFXTNSHJA-QGZVFWFLSA-N 0 0 433.549 2.921 50 0 IFAARN CCn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c4ncccc34)CC2)cn1 ZINC000048310539 557060642 /nfs/dbraw/zinc/06/06/42/557060642.db2.gz QKOJNDPOEUERSV-UHFFFAOYSA-N 0 0 427.530 2.799 50 0 IFAARN CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)c1 ZINC000023056181 557060748 /nfs/dbraw/zinc/06/07/48/557060748.db2.gz ALDQXZOQACUZJR-MRXNPFEDSA-N 0 0 433.530 2.849 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccc(C)n4)C3)c2)no1 ZINC000033279132 557061063 /nfs/dbraw/zinc/06/10/63/557061063.db2.gz DTDKTKMLOVYYES-AWEZNQCLSA-N 0 0 447.542 2.849 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C)cn4)C3)c2)no1 ZINC000033279129 557061080 /nfs/dbraw/zinc/06/10/80/557061080.db2.gz JWNFAHVRYCVDAT-CQSZACIVSA-N 0 0 447.542 2.849 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)c1 ZINC000082230315 557061400 /nfs/dbraw/zinc/06/14/00/557061400.db2.gz CBMWWOZIQOXZIJ-UHFFFAOYSA-N 0 0 434.500 2.903 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(-c3nnco3)c2)cc1 ZINC000023075365 557061774 /nfs/dbraw/zinc/06/17/74/557061774.db2.gz LRAVONSZSXSDLL-UHFFFAOYSA-N 0 0 442.497 2.979 50 0 IFAARN O=C(NCc1ccc(-n2cncn2)nc1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000048299992 557062102 /nfs/dbraw/zinc/06/21/02/557062102.db2.gz GEEAPVWWJQJFOE-HNNXBMFYSA-N 0 0 431.422 2.609 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)NCc3cccnc3-n3cncn3)cc2)c1C ZINC000048301205 557062601 /nfs/dbraw/zinc/06/26/01/557062601.db2.gz RNKWLNMGGZPPBD-UHFFFAOYSA-N 0 0 446.471 2.655 50 0 IFAARN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2O)CC1 ZINC000023080121 557062727 /nfs/dbraw/zinc/06/27/27/557062727.db2.gz WSPVAEHVFZAPFY-UHFFFAOYSA-N 0 0 432.318 2.623 50 0 IFAARN COCCNC(=O)c1ccc(CN2CCc3c(c(C(=O)Nc4ccccc4)nn3C)C2)cc1 ZINC000033280374 557062960 /nfs/dbraw/zinc/06/29/60/557062960.db2.gz UZLNRIQIDZCROG-UHFFFAOYSA-N 0 0 447.539 2.607 50 0 IFAARN NC(=O)c1cnc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(Cl)c1 ZINC000048302709 557063931 /nfs/dbraw/zinc/06/39/31/557063931.db2.gz BDMHRGYCZMVZDG-UHFFFAOYSA-N 0 0 449.747 2.652 50 0 IFAARN Cc1nccn1-c1ccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1F ZINC000048302609 557064038 /nfs/dbraw/zinc/06/40/38/557064038.db2.gz HJXOSARMQQXHMI-UHFFFAOYSA-N 0 0 435.459 2.815 50 0 IFAARN O=C(Oc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000023120395 557064817 /nfs/dbraw/zinc/06/48/17/557064817.db2.gz SFQGGKOSWKKIPP-UHFFFAOYSA-N 0 0 429.494 2.910 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)Cc2ccccc2)CC3)n1CC ZINC000033287941 557065287 /nfs/dbraw/zinc/06/52/87/557065287.db2.gz FECJRVYBAJILNJ-UHFFFAOYSA-N 0 0 446.602 2.699 50 0 IFAARN O=C(CN1CSCC1=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000023150440 557068743 /nfs/dbraw/zinc/06/87/43/557068743.db2.gz BMBGKZYAYDDZIM-UHFFFAOYSA-N 0 0 425.919 2.612 50 0 IFAARN Cc1oc(C(=O)NCc2ccccc2Cn2cccn2)cc1S(=O)(=O)N1CCCC1 ZINC000048332219 557069807 /nfs/dbraw/zinc/06/98/07/557069807.db2.gz QELJWLOSCSUMPE-UHFFFAOYSA-N 0 0 428.514 2.547 50 0 IFAARN O=C(NCc1ccc(F)cc1)c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000033292339 557070650 /nfs/dbraw/zinc/07/06/50/557070650.db2.gz OOQOGGZIUQERAU-UHFFFAOYSA-N 0 0 444.488 2.980 50 0 IFAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000023254168 557079233 /nfs/dbraw/zinc/07/92/33/557079233.db2.gz JEVKUKFTRHHVMN-QGZVFWFLSA-N 0 0 436.984 2.614 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)NCCCN1CCOCC1 ZINC000023289044 557082115 /nfs/dbraw/zinc/08/21/15/557082115.db2.gz AKZZHWAXHZXWGO-RUZDIDTESA-N 0 0 446.551 2.942 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN2CCc3[nH]c4ccc(OC)cc4c(=O)c3C2)cc1 ZINC000048987783 557082842 /nfs/dbraw/zinc/08/28/42/557082842.db2.gz QLGHNEPXOAGCOU-UHFFFAOYSA-N 0 0 435.480 2.710 50 0 IFAARN O=C(CN1CCc2[nH]c3ccc(Cl)cc3c(=O)c2C1)NCc1ccc2c(c1)OCO2 ZINC000048987333 557082909 /nfs/dbraw/zinc/08/29/09/557082909.db2.gz SZXSRSIUQUYNQB-UHFFFAOYSA-N 0 0 425.872 2.585 50 0 IFAARN CCc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccccc4F)CC3)nc2N)cc1 ZINC000033302012 557083629 /nfs/dbraw/zinc/08/36/29/557083629.db2.gz BDKFZMRJJWKXJI-UHFFFAOYSA-N 0 0 441.532 2.920 50 0 IFAARN O=C1CCCN1CCCNS(=O)(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000033307125 557086100 /nfs/dbraw/zinc/08/61/00/557086100.db2.gz ZKKJXACVHYTGMN-UHFFFAOYSA-N 0 0 444.488 2.834 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1nc2c(Oc3ccc(C)cc3)nccn2c1=O ZINC000049008308 557086293 /nfs/dbraw/zinc/08/62/93/557086293.db2.gz QQEJOTIZECBDEZ-UHFFFAOYSA-N 0 0 447.451 2.807 50 0 IFAARN O=S(=O)(NCCCN1CCOCC1)c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000033307166 557086425 /nfs/dbraw/zinc/08/64/25/557086425.db2.gz GFDBBPSTHWEJMH-UHFFFAOYSA-N 0 0 446.504 2.543 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(Oc4cccc(C)c4C)nccn3c2=O)cc1OC ZINC000049008525 557086533 /nfs/dbraw/zinc/08/65/33/557086533.db2.gz IMHZKVZEQXDENY-UHFFFAOYSA-N 0 0 449.467 2.956 50 0 IFAARN Cn1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000023358516 557086956 /nfs/dbraw/zinc/08/69/56/557086956.db2.gz VJCGKDZFWWZBIC-UHFFFAOYSA-N 0 0 448.523 2.905 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 ZINC000049009219 557087214 /nfs/dbraw/zinc/08/72/14/557087214.db2.gz CHINRXHJVKHLOT-UHFFFAOYSA-N 0 0 449.536 2.984 50 0 IFAARN CCc1ccccc1Sc1nccn2c(=O)n(CC(=O)NCc3cccs3)nc12 ZINC000049009225 557087276 /nfs/dbraw/zinc/08/72/76/557087276.db2.gz WJXZYPFALKQZMY-UHFFFAOYSA-N 0 0 425.539 2.983 50 0 IFAARN CCc1ccc(-c2ccc(-n3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)nn2)cc1 ZINC000033308184 557087802 /nfs/dbraw/zinc/08/78/02/557087802.db2.gz UXXFHIPUQMHCCX-UHFFFAOYSA-N 0 0 427.530 2.529 50 0 IFAARN CSc1ncc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cn1 ZINC000023368765 557088305 /nfs/dbraw/zinc/08/83/05/557088305.db2.gz QQSOMGKOUKOWPN-IBGZPJMESA-N 0 0 440.617 2.935 50 0 IFAARN COc1cccc(CNC(=O)Cn2cc(C(=O)N3CCCCC3)c(=O)c3ccc(C)nc32)c1 ZINC000049002190 557089852 /nfs/dbraw/zinc/08/98/52/557089852.db2.gz MFQDTVRCZFCZPQ-UHFFFAOYSA-N 0 0 448.523 2.656 50 0 IFAARN C[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000023445676 557092512 /nfs/dbraw/zinc/09/25/12/557092512.db2.gz XNFPJPWNDVWQIQ-OAHLLOKOSA-N 0 0 448.504 2.524 50 0 IFAARN COC(=O)c1cccc(NC(=O)Cn2nc3c(Sc4ccc(C)cc4)nccn3c2=O)c1 ZINC000033309365 557092925 /nfs/dbraw/zinc/09/29/25/557092925.db2.gz FSWUPGLSEDNBET-UHFFFAOYSA-N 0 0 449.492 2.776 50 0 IFAARN COc1ccc(CCNC(=O)Nc2nnc(SCC(=O)Nc3cc(C)on3)s2)cc1 ZINC000049362910 557094286 /nfs/dbraw/zinc/09/42/86/557094286.db2.gz MXCGBOYVWNHNKB-UHFFFAOYSA-N 0 0 448.530 2.938 50 0 IFAARN CNC(=O)NC(=O)[C@@H](OC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000023485303 557094506 /nfs/dbraw/zinc/09/45/06/557094506.db2.gz VSCKWKYVJALGIT-UGSOOPFHSA-N 0 0 447.488 2.626 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)CN2CCC(c3nnc(-c4ccco4)o3)CC2)n1 ZINC000049372049 557094619 /nfs/dbraw/zinc/09/46/19/557094619.db2.gz YAHKZHTUOLFXDK-UHFFFAOYSA-N 0 0 445.501 2.710 50 0 IFAARN COc1ccc(CCNC(=O)CN2CCC(c3nnc(-c4ccco4)o3)CC2)cc1OC ZINC000049372043 557094672 /nfs/dbraw/zinc/09/46/72/557094672.db2.gz HZUDGNAFFOFQQN-UHFFFAOYSA-N 0 0 440.500 2.885 50 0 IFAARN Cc1ccc(-c2ccc3nn(CC(=O)N4CCN(c5ccccc5)CC4)c(=O)n3n2)cc1C ZINC000049399303 557095264 /nfs/dbraw/zinc/09/52/64/557095264.db2.gz XVJLZFAYECJYRG-UHFFFAOYSA-N 0 0 442.523 2.524 50 0 IFAARN O=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)N1CCN(c2ccccc2)CC1 ZINC000049399300 557095278 /nfs/dbraw/zinc/09/52/78/557095278.db2.gz SJYJBKBBAIORET-UHFFFAOYSA-N 0 0 448.914 2.560 50 0 IFAARN COC(=O)c1cccc(NC(=O)Cn2nc3ccc(-c4ccc(C)c(C)c4)nn3c2=O)c1 ZINC000049399280 557095357 /nfs/dbraw/zinc/09/53/57/557095357.db2.gz WCRSSEXORWBMEE-UHFFFAOYSA-N 0 0 431.452 2.600 50 0 IFAARN COc1cc(NC(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)cc(OC)c1 ZINC000049399225 557095368 /nfs/dbraw/zinc/09/53/68/557095368.db2.gz NRIQTIFWRWMINW-UHFFFAOYSA-N 0 0 439.859 2.867 50 0 IFAARN CN(C)C(=O)[C@H]1c2ccccc2CCN1CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000033312739 557096901 /nfs/dbraw/zinc/09/69/01/557096901.db2.gz IDXTYNZWYMAIIV-HSZRJFAPSA-N 0 0 440.975 2.676 50 0 IFAARN CCc1noc(-c2cc(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)c3ccccc23)n1 ZINC000049401301 557097055 /nfs/dbraw/zinc/09/70/55/557097055.db2.gz BJXNEKIXAIXHKC-UHFFFAOYSA-N 0 0 432.436 2.659 50 0 IFAARN O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000049401318 557097105 /nfs/dbraw/zinc/09/71/05/557097105.db2.gz MTCSDEUGQAKZBQ-UHFFFAOYSA-N 0 0 444.447 2.974 50 0 IFAARN COC(=O)c1cn(Cc2ccc(C(C)(C)C)cc2)nc1S(=O)(=O)N1CCSCC1 ZINC000049402204 557097762 /nfs/dbraw/zinc/09/77/62/557097762.db2.gz CWCGZLRCYMVTAU-UHFFFAOYSA-N 0 0 437.587 2.753 50 0 IFAARN CCCc1noc(CN2N=C(C(=O)N3CCCCCC3)S(=O)(=O)c3ccccc32)n1 ZINC000049402597 557097993 /nfs/dbraw/zinc/09/79/93/557097993.db2.gz WGTDENVXKDVZOY-UHFFFAOYSA-N 0 0 431.518 2.532 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN1C2=C(C(=O)OC2)[C@H](c2ccccc2)NC1=O ZINC000049402818 557098215 /nfs/dbraw/zinc/09/82/15/557098215.db2.gz IPSWWEQATFCPTJ-IBGZPJMESA-N 0 0 427.844 2.865 50 0 IFAARN COc1ccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@H](c3cccc(Cl)c3)NC2=O)cc1 ZINC000049403098 557098797 /nfs/dbraw/zinc/09/87/97/557098797.db2.gz JKQOXZGYHZXNEE-FQEVSTJZSA-N 0 0 441.871 2.542 50 0 IFAARN COc1cccc(CC(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)c1 ZINC000049406293 557099916 /nfs/dbraw/zinc/09/99/16/557099916.db2.gz MCRGIWSGKQQPMQ-UHFFFAOYSA-N 0 0 447.539 2.856 50 0 IFAARN COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)cc1OC ZINC000049405961 557100941 /nfs/dbraw/zinc/10/09/41/557100941.db2.gz WTUGOHNNLBTJLX-UHFFFAOYSA-N 0 0 449.511 2.628 50 0 IFAARN Cc1ccccc1N(CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000023639618 557101812 /nfs/dbraw/zinc/10/18/12/557101812.db2.gz BZIJUOJTIJRCRE-UHFFFAOYSA-N 0 0 435.977 2.759 50 0 IFAARN COc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3ccc(F)c(C)c3)nn2)CC1 ZINC000049406509 557101908 /nfs/dbraw/zinc/10/19/08/557101908.db2.gz BOTZBDFSVFUXAP-UHFFFAOYSA-N 0 0 437.475 2.758 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3ccc(OC)cc3)C2)c1C ZINC000085620696 557102352 /nfs/dbraw/zinc/10/23/52/557102352.db2.gz RREOTYXSYKDLGA-SFHVURJKSA-N 0 0 441.528 2.985 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3cccc(OC)c3)C2)c1C ZINC000085621162 557102598 /nfs/dbraw/zinc/10/25/98/557102598.db2.gz ZWMPBMCYCMRURD-KRWDZBQOSA-N 0 0 427.501 2.595 50 0 IFAARN Cc1nc(-c2ccccn2)cc2nn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)n21 ZINC000049407277 557102805 /nfs/dbraw/zinc/10/28/05/557102805.db2.gz XONSUQHVOJBZSZ-UHFFFAOYSA-N 0 0 428.374 2.919 50 0 IFAARN O=S(=O)(c1ccc2nncn2c1)N(Cc1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000049408383 557103147 /nfs/dbraw/zinc/10/31/47/557103147.db2.gz WJBZERCDYSITHI-UHFFFAOYSA-N 0 0 426.429 2.993 50 0 IFAARN CCc1nc(-c2ccc(-n3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)n3)cc2)no1 ZINC000049408747 557103716 /nfs/dbraw/zinc/10/37/16/557103716.db2.gz RXWUOFOIRFZZGS-UHFFFAOYSA-N 0 0 446.467 2.676 50 0 IFAARN Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)C2)n1 ZINC000585147380 557104193 /nfs/dbraw/zinc/10/41/93/557104193.db2.gz UIRQPXFMCGYBAG-QGZVFWFLSA-N 0 0 445.470 2.684 50 0 IFAARN O=S(=O)(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc2c(c1)CCCC2 ZINC000585147645 557105489 /nfs/dbraw/zinc/10/54/89/557105489.db2.gz MDKQGUFZHJPLML-UHFFFAOYSA-N 0 0 447.582 2.578 50 0 IFAARN C[C@H]1CCCC[C@]12NC(=O)N(CN1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)C2=O ZINC000023674667 557105654 /nfs/dbraw/zinc/10/56/54/557105654.db2.gz BMPBHAKRMSTRSE-WNSKOXEYSA-N 0 0 442.516 2.524 50 0 IFAARN O=C(Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O)NCc1ccc(F)cc1Cl ZINC000049410799 557106064 /nfs/dbraw/zinc/10/60/64/557106064.db2.gz WHIGNJHVSLJDIE-UHFFFAOYSA-N 0 0 444.829 2.883 50 0 IFAARN CCc1cc2c(nc(SCc3nc(N)nc(N)n3)n(CCc3ccccc3)c2=O)s1 ZINC000017668376 557106498 /nfs/dbraw/zinc/10/64/98/557106498.db2.gz WQKISHCKHGXCBV-UHFFFAOYSA-N 0 0 439.570 2.905 50 0 IFAARN COc1cccc(-c2nc3n(c2C(=O)Nc2cc(OC)cc(OC)c2)CCS3(=O)=O)c1 ZINC000086069422 557108052 /nfs/dbraw/zinc/10/80/52/557108052.db2.gz PLABLAMEYASWQW-UHFFFAOYSA-N 0 0 443.481 2.616 50 0 IFAARN Cc1cc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Cl)cc3)ccc2=O)ccc1F ZINC000049421670 557108395 /nfs/dbraw/zinc/10/83/95/557108395.db2.gz JAANPVSBOSSKSX-UHFFFAOYSA-N 0 0 435.864 2.816 50 0 IFAARN O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)Nc1ccc(F)cc1Cl ZINC000049421704 557108625 /nfs/dbraw/zinc/10/86/25/557108625.db2.gz ANJOTZCOHINLTC-UHFFFAOYSA-N 0 0 439.827 2.646 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCc2sccc2C1 ZINC000010922663 557110784 /nfs/dbraw/zinc/11/07/84/557110784.db2.gz KCGGLUNVQAKHRL-UHFFFAOYSA-N 0 0 429.361 2.764 50 0 IFAARN O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2)NCc1cccc(Cl)c1 ZINC000049546113 557111781 /nfs/dbraw/zinc/11/17/81/557111781.db2.gz ZLBRQBSVMOBZDQ-UHFFFAOYSA-N 0 0 432.267 2.656 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 ZINC000049549461 557112654 /nfs/dbraw/zinc/11/26/54/557112654.db2.gz XFBVABZFYJPYLK-KRWDZBQOSA-N 0 0 434.468 2.966 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cnn(-c3cc(F)cc(F)c3)c2-n2cccc2)CC1 ZINC000049550420 557113316 /nfs/dbraw/zinc/11/33/16/557113316.db2.gz LXWACLMYWPVXPT-UHFFFAOYSA-N 0 0 429.427 2.856 50 0 IFAARN COc1ccccc1N1CCN(C(=O)NCC(=O)Nc2nc3ccccc3s2)CC1 ZINC000049551125 557113547 /nfs/dbraw/zinc/11/35/47/557113547.db2.gz DDZDQYTWCVORNB-UHFFFAOYSA-N 0 0 425.514 2.775 50 0 IFAARN COC(=O)c1cn(CC(=O)NC[C@H](c2cccs2)N2CCOCC2)c2ccccc12 ZINC000023745199 557114060 /nfs/dbraw/zinc/11/40/60/557114060.db2.gz WVWUEUHBRVGQES-LJQANCHMSA-N 0 0 427.526 2.679 50 0 IFAARN Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 ZINC000011365340 557114081 /nfs/dbraw/zinc/11/40/81/557114081.db2.gz DROUPXXPDNUSLZ-DLBZAZTESA-N 0 0 431.562 2.721 50 0 IFAARN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023763468 557115369 /nfs/dbraw/zinc/11/53/69/557115369.db2.gz VSSKNBFCUINFLX-OAHLLOKOSA-N 0 0 429.904 2.531 50 0 IFAARN COc1ccc2c(c1)CCC[C@@]21NC(=O)N(CN(C)CCOc2ccccc2F)C1=O ZINC000049622744 557115544 /nfs/dbraw/zinc/11/55/44/557115544.db2.gz FTOROYUAOWPFPW-HSZRJFAPSA-N 0 0 427.476 2.886 50 0 IFAARN O=C(c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)N1CCN(Cc2ccncc2)CC1 ZINC000023800992 557116406 /nfs/dbraw/zinc/11/64/06/557116406.db2.gz VLXORUSPTQHZNH-UHFFFAOYSA-N 0 0 440.503 2.836 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000049694000 557117923 /nfs/dbraw/zinc/11/79/23/557117923.db2.gz ZSYSWLASVLNMKZ-SJPPTIKESA-N 0 0 446.573 2.793 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Br)c1 ZINC000001138191 557119254 /nfs/dbraw/zinc/11/92/54/557119254.db2.gz JBBBBIJDMFMZIY-UHFFFAOYSA-N 0 0 425.304 2.722 50 0 IFAARN O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000023844449 557119827 /nfs/dbraw/zinc/11/98/27/557119827.db2.gz WUTYTLPTFSDVQF-HXUWFJFHSA-N 0 0 433.599 2.636 50 0 IFAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000014909988 557121086 /nfs/dbraw/zinc/12/10/86/557121086.db2.gz UWDFKEBBWNRLSI-OAHLLOKOSA-N 0 0 430.498 2.548 50 0 IFAARN O=C([C@H]1CCCO1)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 ZINC000023865889 557121314 /nfs/dbraw/zinc/12/13/14/557121314.db2.gz LYBHSLCSMQVMFQ-CQSZACIVSA-N 0 0 430.555 2.536 50 0 IFAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000024648372 557121609 /nfs/dbraw/zinc/12/16/09/557121609.db2.gz HJAXBURGSOZVPV-UHFFFAOYSA-N 0 0 430.404 2.858 50 0 IFAARN O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000023873168 557121896 /nfs/dbraw/zinc/12/18/96/557121896.db2.gz RJMGFQANCBGNQN-ZHACJKMWSA-N 0 0 428.496 2.846 50 0 IFAARN COc1ccc(CN2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)CC2)cc1 ZINC000023873428 557122335 /nfs/dbraw/zinc/12/23/35/557122335.db2.gz VXCMPHKZTLTFHR-QHCPKHFHSA-N 0 0 447.535 2.974 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000023882310 557123170 /nfs/dbraw/zinc/12/31/70/557123170.db2.gz RBNHIXYZMMTXCR-UHFFFAOYSA-N 0 0 443.525 2.686 50 0 IFAARN COC(=O)C1=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@]2(c2ccc(C)cc2)NN1 ZINC000000637103 557123382 /nfs/dbraw/zinc/12/33/82/557123382.db2.gz DEMYIHZNHIUYLU-FOIQADDNSA-N 0 0 432.263 2.819 50 0 IFAARN O=C(COC(=O)CNS(=O)(=O)c1cccs1)Nc1ccccc1-c1ccccc1 ZINC000043775070 557125124 /nfs/dbraw/zinc/12/51/24/557125124.db2.gz VJPXNTITQKGKJD-UHFFFAOYSA-N 0 0 430.507 2.875 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCc4ccc(C)cc4)ccc3c2=O)cc1 ZINC000004791468 557125213 /nfs/dbraw/zinc/12/52/13/557125213.db2.gz WSHQWLZZYHROJE-UHFFFAOYSA-N 0 0 429.476 2.985 50 0 IFAARN CCOc1ccc(-c2nnc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)o2)cc1 ZINC000023936178 557126518 /nfs/dbraw/zinc/12/65/18/557126518.db2.gz YWERDUXUQJDSAJ-JOCHJYFZSA-N 0 0 436.424 2.831 50 0 IFAARN CCOc1ccc(-c2nnc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)o2)cc1 ZINC000023936173 557126558 /nfs/dbraw/zinc/12/65/58/557126558.db2.gz YWERDUXUQJDSAJ-QFIPXVFZSA-N 0 0 436.424 2.831 50 0 IFAARN COc1ccc(CCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC ZINC000017912390 557128306 /nfs/dbraw/zinc/12/83/06/557128306.db2.gz KCAKGSFLBZLQRL-UHFFFAOYSA-N 0 0 441.528 2.570 50 0 IFAARN COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)N2CCCC2)cc1 ZINC000023994262 557130552 /nfs/dbraw/zinc/13/05/52/557130552.db2.gz WFGNYUQAXGZDPQ-HXUWFJFHSA-N 0 0 432.542 2.972 50 0 IFAARN CCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CC[C@@H](CC)C3)c(=O)[nH]c1=O ZINC000024005969 557131526 /nfs/dbraw/zinc/13/15/26/557131526.db2.gz JFUOAAAXYBIPOG-CQSZACIVSA-N 0 0 448.589 2.789 50 0 IFAARN O=C(NCCc1ccccn1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000024043105 557133611 /nfs/dbraw/zinc/13/36/11/557133611.db2.gz MXDNVBONUHJVTF-UHFFFAOYSA-N 0 0 438.347 2.601 50 0 IFAARN CC(C)n1ncc2cc(C(=O)N3CCN([C@@H](C(N)=O)c4ccc(Cl)cc4)CC3)cnc21 ZINC000024082401 557135870 /nfs/dbraw/zinc/13/58/70/557135870.db2.gz JPOGUOLOFZTDQF-LJQANCHMSA-N 0 0 440.935 2.650 50 0 IFAARN Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4nnnn4-c4ccccc4)CC3)o2)cc1 ZINC000024777885 557138032 /nfs/dbraw/zinc/13/80/32/557138032.db2.gz RWZYAHALOUDOJE-UHFFFAOYSA-N 0 0 443.511 2.907 50 0 IFAARN CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)cc2C1=O ZINC000024782335 557139023 /nfs/dbraw/zinc/13/90/23/557139023.db2.gz JNWCYLWGXFADKG-UHFFFAOYSA-N 0 0 441.749 2.775 50 0 IFAARN O=C(CSc1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000024177836 557139756 /nfs/dbraw/zinc/13/97/56/557139756.db2.gz LPFDBPQMJOKSCU-UHFFFAOYSA-N 0 0 442.537 2.666 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000024191646 557140028 /nfs/dbraw/zinc/14/00/28/557140028.db2.gz KJZURECWHJLOMF-QHCPKHFHSA-N 0 0 434.540 2.710 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CCOc1ccc(F)cc1 ZINC000024187782 557140071 /nfs/dbraw/zinc/14/00/71/557140071.db2.gz DMZUCQKPYUWHBI-IBGZPJMESA-N 0 0 426.485 2.805 50 0 IFAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N(C[C@H]1CCCO1)c1nc2c(cccc2F)s1 ZINC000247487112 557142938 /nfs/dbraw/zinc/14/29/38/557142938.db2.gz AHWLSUFRFUYNMD-UKRRQHHQSA-N 0 0 441.550 2.762 50 0 IFAARN COc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCCC3)c1 ZINC000009374704 557144306 /nfs/dbraw/zinc/14/43/06/557144306.db2.gz XIYKTBDAZOKWSU-AWEZNQCLSA-N 0 0 448.566 2.805 50 0 IFAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1 ZINC000024393505 557146318 /nfs/dbraw/zinc/14/63/18/557146318.db2.gz HZHCPJWTGOZXJT-NRFANRHFSA-N 0 0 447.557 2.802 50 0 IFAARN O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000011434835 557147365 /nfs/dbraw/zinc/14/73/65/557147365.db2.gz ZCFUZCYASFEICG-UHFFFAOYSA-N 0 0 429.450 2.640 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)NC(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)[C@@H]1C ZINC000024456514 557147482 /nfs/dbraw/zinc/14/74/82/557147482.db2.gz JWNYPAGYDVUNPH-BFYDXBDKSA-N 0 0 431.562 2.557 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc(F)cc1Cl ZINC000011445524 557148670 /nfs/dbraw/zinc/14/86/70/557148670.db2.gz SWEGNRGQGFVSNC-UHFFFAOYSA-N 0 0 444.868 2.534 50 0 IFAARN COc1cc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)ccc1N1CCCC1=O ZINC000011446231 557148714 /nfs/dbraw/zinc/14/87/14/557148714.db2.gz NUVUHXKIWWQUBY-HXUWFJFHSA-N 0 0 434.496 2.989 50 0 IFAARN O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011451782 557150054 /nfs/dbraw/zinc/15/00/54/557150054.db2.gz UZRWRFNIAUGXMO-MRXNPFEDSA-N 0 0 426.947 2.675 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc1OC ZINC000024527761 557150182 /nfs/dbraw/zinc/15/01/82/557150182.db2.gz JXDZNZIOEWTNBQ-UHFFFAOYSA-N 0 0 443.525 2.865 50 0 IFAARN CCOC(=O)c1sc(NC(=O)N2CCN(c3ncccn3)CC2)c(C(=O)OCC)c1C ZINC000024563046 557151081 /nfs/dbraw/zinc/15/10/81/557151081.db2.gz VZNCEYNRAOCYAA-UHFFFAOYSA-N 0 0 447.517 2.554 50 0 IFAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)cc1 ZINC000585147823 557151195 /nfs/dbraw/zinc/15/11/95/557151195.db2.gz ACNWPLFKUFUCFO-LJQANCHMSA-N 0 0 440.477 2.612 50 0 IFAARN Cn1c2ncn(Cc3ccccc3)c2c(=O)n(Cc2cccc(Br)c2)c1=O ZINC000000720769 557152661 /nfs/dbraw/zinc/15/26/61/557152661.db2.gz WKCMBVFCZGPMPT-UHFFFAOYSA-N 0 0 425.286 2.756 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000011488230 557153079 /nfs/dbraw/zinc/15/30/79/557153079.db2.gz WQWZDSBOCTYZAO-YJBOKZPZSA-N 0 0 444.981 2.833 50 0 IFAARN COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000043941928 557153087 /nfs/dbraw/zinc/15/30/87/557153087.db2.gz AOFCQLMHKOXSBF-UHFFFAOYSA-N 0 0 425.485 2.969 50 0 IFAARN CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606727 557153388 /nfs/dbraw/zinc/15/33/88/557153388.db2.gz ZEZUDYNIUOBKFY-HNNXBMFYSA-N 0 0 435.571 2.927 50 0 IFAARN COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 ZINC000024612301 557155487 /nfs/dbraw/zinc/15/54/87/557155487.db2.gz GTSQFCQLSAHTPW-UHFFFAOYSA-N 0 0 430.526 2.962 50 0 IFAARN CCc1ccc(OC[C@H](O)Cn2c(SCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000727072 557156717 /nfs/dbraw/zinc/15/67/17/557156717.db2.gz VSFXMJBHPGIZBR-MRXNPFEDSA-N 0 0 446.573 2.564 50 0 IFAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCCCCc1nc(-c2cccs2)no1 ZINC000024649823 557157396 /nfs/dbraw/zinc/15/73/96/557157396.db2.gz JZAYRTHFMGAKLT-UHFFFAOYSA-N 0 0 445.545 2.882 50 0 IFAARN Cc1cccc2c(=O)n(CCC(=O)NCC(=O)Nc3ccccc3Br)cnc12 ZINC000024683469 557158708 /nfs/dbraw/zinc/15/87/08/557158708.db2.gz OXDOZMRIOODQQO-UHFFFAOYSA-N 0 0 443.301 2.612 50 0 IFAARN CS(=O)(=O)Nc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000011527393 557159597 /nfs/dbraw/zinc/15/95/97/557159597.db2.gz TZYIYCGMPTVCLE-UHFFFAOYSA-N 0 0 444.509 2.564 50 0 IFAARN CCNC(=O)NC(=O)[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1ccccc1 ZINC000024715453 557160494 /nfs/dbraw/zinc/16/04/94/557160494.db2.gz NGLVCGVZSHLGMZ-KRWDZBQOSA-N 0 0 425.514 2.906 50 0 IFAARN CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN2c2nccs2)cc1 ZINC000206778682 557162165 /nfs/dbraw/zinc/16/21/65/557162165.db2.gz QEEPURONLRPRDJ-INIZCTEOSA-N 0 0 436.603 2.504 50 0 IFAARN O=C(CNS(=O)(=O)c1cccc(Cl)c1)NC[C@@H]1CCCN1c1nc2ccccc2o1 ZINC000206772203 557162170 /nfs/dbraw/zinc/16/21/70/557162170.db2.gz QAKFVTFRFDRRAA-HNNXBMFYSA-N 0 0 448.932 2.545 50 0 IFAARN C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)N1CC(=O)Nc2ccccc21 ZINC000024753409 557162588 /nfs/dbraw/zinc/16/25/88/557162588.db2.gz NZWLAFQQXBGREO-DMZKTXOQSA-N 0 0 437.477 2.532 50 0 IFAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1OCC ZINC000024752398 557162705 /nfs/dbraw/zinc/16/27/05/557162705.db2.gz BHJAGHPBQBNVMX-HZPDHXFCSA-N 0 0 427.567 2.577 50 0 IFAARN COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)cc1OC ZINC000206798594 557164046 /nfs/dbraw/zinc/16/40/46/557164046.db2.gz FNRWTJXBJSOULF-IEBWSBKVSA-N 0 0 431.460 2.997 50 0 IFAARN CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cccc(C(=O)OC)c2)cc1 ZINC000024764554 557164896 /nfs/dbraw/zinc/16/48/96/557164896.db2.gz BSIOONUQLUKWNI-UHFFFAOYSA-N 0 0 442.493 2.817 50 0 IFAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(OC)c(OC)c1OC ZINC000206801742 557165076 /nfs/dbraw/zinc/16/50/76/557165076.db2.gz QQOHZBODTQJWKT-CJNGLKHVSA-N 0 0 433.432 2.687 50 0 IFAARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)NCc1ccc(OC)c(OC)c1 ZINC000206804468 557165375 /nfs/dbraw/zinc/16/53/75/557165375.db2.gz HGIKJZOCAJMUNE-RDJZCZTQSA-N 0 0 432.448 2.747 50 0 IFAARN COC(=O)C[C@H](NC(=O)c1cnn(-c2ccc(OC)nn2)c1C(F)(F)F)c1ccccc1 ZINC000024775359 557166604 /nfs/dbraw/zinc/16/66/04/557166604.db2.gz RFLOISWPHBSFBC-AWEZNQCLSA-N 0 0 449.389 2.724 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)c1 ZINC000024834455 557171621 /nfs/dbraw/zinc/17/16/21/557171621.db2.gz DTFGMCSKQBVACR-INIZCTEOSA-N 0 0 445.541 2.717 50 0 IFAARN C[C@]1(CSc2ccccc2C(=O)NCCCn2cnc3ccccc32)NC(=O)NC1=O ZINC000024835933 557171958 /nfs/dbraw/zinc/17/19/58/557171958.db2.gz HIVDSQXAWBRYGZ-JOCHJYFZSA-N 0 0 437.525 2.547 50 0 IFAARN Cc1cc(C)cc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000024839930 557172947 /nfs/dbraw/zinc/17/29/47/557172947.db2.gz DHDZHCFTNLQMBR-UHFFFAOYSA-N 0 0 429.542 2.555 50 0 IFAARN CCCCN(C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000024840178 557173249 /nfs/dbraw/zinc/17/32/49/557173249.db2.gz SBWWVZVMXJRUKB-SFHVURJKSA-N 0 0 439.537 2.815 50 0 IFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000024845945 557174162 /nfs/dbraw/zinc/17/41/62/557174162.db2.gz QJALQJIEIUVYQG-HNNXBMFYSA-N 0 0 441.490 2.864 50 0 IFAARN Cc1cccc(-n2c(=O)c3ccc(Cl)cc3nc2SCC(=O)N2CCNC2=O)c1 ZINC000024915728 557178754 /nfs/dbraw/zinc/17/87/54/557178754.db2.gz SVOCABNJOJVVFT-UHFFFAOYSA-N 0 0 428.901 2.991 50 0 IFAARN CCC[C@@H](C)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1C[C@H]1CCCO1 ZINC000024959409 557182514 /nfs/dbraw/zinc/18/25/14/557182514.db2.gz BOPQELSVVLSOTB-GDBMZVCRSA-N 0 0 447.557 2.759 50 0 IFAARN Cn1c2c(c(=O)n(C)c1=O)n(Cc1ccc(F)cc1)c1nnc(-c3ccc(Cl)cc3)n12 ZINC000010969077 557183071 /nfs/dbraw/zinc/18/30/71/557183071.db2.gz ZJKVPOXHCOLNDJ-UHFFFAOYSA-N 0 0 438.850 2.589 50 0 IFAARN O=C1c2ccccc2S(=O)(=O)N1CCSc1nnc2c(Cl)cc(Cl)cn12 ZINC000024970636 557183798 /nfs/dbraw/zinc/18/37/98/557183798.db2.gz NAWNZCMCBXTUJY-UHFFFAOYSA-N 0 0 429.310 2.973 50 0 IFAARN COc1cccc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)c1 ZINC000009262077 557184211 /nfs/dbraw/zinc/18/42/11/557184211.db2.gz OPSDGWBKYXEVAI-UHFFFAOYSA-N 0 0 443.504 2.666 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1 ZINC000009262362 557184664 /nfs/dbraw/zinc/18/46/64/557184664.db2.gz AOLOWTJONONKTD-UHFFFAOYSA-N 0 0 429.477 2.875 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3cccs3)c12 ZINC000024976772 557184932 /nfs/dbraw/zinc/18/49/32/557184932.db2.gz HJMGUFMIILPZQZ-CQSZACIVSA-N 0 0 430.555 2.968 50 0 IFAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1nncs1 ZINC000009303557 557186110 /nfs/dbraw/zinc/18/61/10/557186110.db2.gz RLRKERBSVYEZAQ-UHFFFAOYSA-N 0 0 431.547 2.678 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000024985869 557186475 /nfs/dbraw/zinc/18/64/75/557186475.db2.gz WFJVKVQPMOFNAY-FQEVSTJZSA-N 0 0 444.553 2.917 50 0 IFAARN Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)c(C)c1 ZINC000024992729 557187952 /nfs/dbraw/zinc/18/79/52/557187952.db2.gz OZSBVHXKVRVSKN-CQSZACIVSA-N 0 0 436.559 2.778 50 0 IFAARN O=C(COc1cccc(N2CCCC2=O)c1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000024993320 557188361 /nfs/dbraw/zinc/18/83/61/557188361.db2.gz QNCWSZONRCFWKI-UHFFFAOYSA-N 0 0 437.496 2.775 50 0 IFAARN CCCn1c(CNc2cc(C(N)=O)ccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000060211097 557193114 /nfs/dbraw/zinc/19/31/14/557193114.db2.gz SBZZVIQZIZVPOA-UHFFFAOYSA-N 0 0 429.546 2.716 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2cc(Br)ccc2F)c1 ZINC000025129250 557196154 /nfs/dbraw/zinc/19/61/54/557196154.db2.gz HPQVTMXGILVYHB-UHFFFAOYSA-N 0 0 429.311 2.913 50 0 IFAARN COC(=O)Cn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1c[nH]c2ccccc21 ZINC000100877934 557197921 /nfs/dbraw/zinc/19/79/21/557197921.db2.gz PSHAIWPCQZLVSN-XDOYNYLZSA-N 0 0 443.506 2.502 50 0 IFAARN COc1cccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)[C@H]3CCOC3)CC2)c1 ZINC000096316908 557198744 /nfs/dbraw/zinc/19/87/44/557198744.db2.gz AUJFJZRMTXOFFK-FQEVSTJZSA-N 0 0 436.556 2.947 50 0 IFAARN CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000025261145 557201491 /nfs/dbraw/zinc/20/14/91/557201491.db2.gz JNZAEQUMORBIFL-DIFFPNOSSA-N 0 0 440.472 2.787 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2nc(SC)ncc2Cl)cc1OC ZINC000011575474 557203382 /nfs/dbraw/zinc/20/33/82/557203382.db2.gz OEQSOVWXELQBRK-SNVBAGLBSA-N 0 0 425.894 2.731 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c(OC)c1 ZINC000011584445 557204686 /nfs/dbraw/zinc/20/46/86/557204686.db2.gz UOHRCYGMQDQYEQ-QGZVFWFLSA-N 0 0 444.484 2.562 50 0 IFAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cnccn2)CC1)OCc1ccccc1 ZINC000025344106 557205246 /nfs/dbraw/zinc/20/52/46/557205246.db2.gz WNPPALQIKNRNKC-JOCHJYFZSA-N 0 0 445.523 2.663 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)NCc2cccnc2)c1 ZINC000025347207 557205614 /nfs/dbraw/zinc/20/56/14/557205614.db2.gz FNSXXGJURIEBHJ-UHFFFAOYSA-N 0 0 426.336 2.851 50 0 IFAARN CN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000072241263 557206662 /nfs/dbraw/zinc/20/66/62/557206662.db2.gz AFZNOOBAAIHZAW-VXKWHMMOSA-N 0 0 427.932 2.583 50 0 IFAARN CN(CCCC(=O)N1CCN(Cc2ccsc2)CC1)S(=O)(=O)c1cccs1 ZINC000025397493 557208069 /nfs/dbraw/zinc/20/80/69/557208069.db2.gz XXIXDZKHQNLLIH-UHFFFAOYSA-N 0 0 427.617 2.555 50 0 IFAARN O=C(Nc1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)c1)C1CC1 ZINC000025404086 557208694 /nfs/dbraw/zinc/20/86/94/557208694.db2.gz KXYHEGVKPORMCT-LJQANCHMSA-N 0 0 445.516 2.644 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000025442408 557209556 /nfs/dbraw/zinc/20/95/56/557209556.db2.gz RPVNXNCBQQQOLB-UHFFFAOYSA-N 0 0 444.538 2.844 50 0 IFAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)NC[C@@H]1CCCO1 ZINC000011613405 557209577 /nfs/dbraw/zinc/20/95/77/557209577.db2.gz WIJDXMGDZVVGDX-CABCVRRESA-N 0 0 445.932 2.568 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1C ZINC000010985003 557210814 /nfs/dbraw/zinc/21/08/14/557210814.db2.gz ANGWGGOOHZXCAG-CQSZACIVSA-N 0 0 441.509 2.648 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)CC1 ZINC000169772581 557212059 /nfs/dbraw/zinc/21/20/59/557212059.db2.gz WBQFWKDVDGDLCD-UHFFFAOYSA-N 0 0 443.470 2.757 50 0 IFAARN CCNc1nc(-n2cnc(SCCOc3ccccc3C)n2)nc(N2CCCC2)n1 ZINC000025496393 557212145 /nfs/dbraw/zinc/21/21/45/557212145.db2.gz CINHIWBUCVCDNR-UHFFFAOYSA-N 0 0 426.550 2.964 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1CC[C@@H](Nc2ccccc2)C1 ZINC000069946664 557212149 /nfs/dbraw/zinc/21/21/49/557212149.db2.gz ZAGLKDNOQJHNQG-MRXNPFEDSA-N 0 0 444.557 2.718 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCCC3=O)cc2)s1 ZINC000025499602 557212212 /nfs/dbraw/zinc/21/22/12/557212212.db2.gz UMHKNEUPDLAAPM-SFHVURJKSA-N 0 0 447.582 2.653 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)c1C ZINC000025499301 557212398 /nfs/dbraw/zinc/21/23/98/557212398.db2.gz LZAMGGMVTSVHAW-OAQYLSRUSA-N 0 0 432.586 2.666 50 0 IFAARN CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(F)c(F)c1F ZINC000010229588 557212699 /nfs/dbraw/zinc/21/26/99/557212699.db2.gz XITMIUMZLVTDJE-UHFFFAOYSA-N 0 0 439.419 2.969 50 0 IFAARN CCCS(=O)(=O)N1CCN(CCNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000072242751 557216390 /nfs/dbraw/zinc/21/63/90/557216390.db2.gz QFCQKLVDVFNRIE-UHFFFAOYSA-N 0 0 429.995 2.642 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C=Cc1cnn(-c2ccccc2)c1 ZINC000025587791 557217614 /nfs/dbraw/zinc/21/76/14/557217614.db2.gz GHJVECQYBQLNFJ-VAWYXSNFSA-N 0 0 429.480 2.797 50 0 IFAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000025606839 557218668 /nfs/dbraw/zinc/21/86/68/557218668.db2.gz QUWFXJBJNLFGES-UHFFFAOYSA-N 0 0 432.402 2.760 50 0 IFAARN NC(=O)N[C@@H](CC(=O)NCc1nnc2ccccn21)c1cccc(Oc2ccccc2)c1 ZINC000025608606 557219124 /nfs/dbraw/zinc/21/91/24/557219124.db2.gz LXYZOCHJQICTFA-IBGZPJMESA-N 0 0 430.468 2.938 50 0 IFAARN COC(=O)c1cc(NCC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)cc(C(=O)OC)c1 ZINC000025626010 557219910 /nfs/dbraw/zinc/21/99/10/557219910.db2.gz CWEYDDUWUHQRIT-OAQYLSRUSA-N 0 0 426.469 2.948 50 0 IFAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000000802579 557220610 /nfs/dbraw/zinc/22/06/10/557220610.db2.gz KVFAJOMIWUJDIE-FQEVSTJZSA-N 0 0 443.431 2.653 50 0 IFAARN O=C(CSc1n[nH]c(-c2cccs2)n1)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000025685667 557222071 /nfs/dbraw/zinc/22/20/71/557222071.db2.gz ZTSXRFXMWBTRCL-MRXNPFEDSA-N 0 0 429.571 2.643 50 0 IFAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000025818846 557227776 /nfs/dbraw/zinc/22/77/76/557227776.db2.gz HEPOYEBYQIWWTM-ZDUSSCGKSA-N 0 0 441.431 2.864 50 0 IFAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@H](Cc1ccccc1)n1cnnn1 ZINC000025829565 557228159 /nfs/dbraw/zinc/22/81/59/557228159.db2.gz ULYDESHBMYSVBA-HNNXBMFYSA-N 0 0 439.829 2.752 50 0 IFAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000136918875 557229047 /nfs/dbraw/zinc/22/90/47/557229047.db2.gz PSWBNFCDLVFUFQ-OWCLPIDISA-N 0 0 434.496 2.563 50 0 IFAARN O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025895859 557229441 /nfs/dbraw/zinc/22/94/41/557229441.db2.gz ZLPAWRNOEXVHFJ-OAQYLSRUSA-N 0 0 444.553 2.828 50 0 IFAARN CCCCOC(=O)[C@H](C)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000072303209 557229643 /nfs/dbraw/zinc/22/96/43/557229643.db2.gz KBMZDHOOKYIXGM-LBPRGKRZSA-N 0 0 439.306 2.673 50 0 IFAARN COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(Cl)cc4)cc3c2=O)cc1OC ZINC000011666402 557231615 /nfs/dbraw/zinc/23/16/15/557231615.db2.gz ZPKCKHWCVZUGNI-UHFFFAOYSA-N 0 0 439.859 2.867 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000011692414 557231813 /nfs/dbraw/zinc/23/18/13/557231813.db2.gz WSJGEOAJJIFVRL-UHFFFAOYSA-N 0 0 437.887 2.818 50 0 IFAARN Cc1ccc(C)c(COc2cccc(N3CCn4c3nc3c4c(=O)n(C)c(=O)n3C)c2)c1 ZINC000011692395 557231945 /nfs/dbraw/zinc/23/19/45/557231945.db2.gz IBGWGZAIODLHNL-UHFFFAOYSA-N 0 0 431.496 2.781 50 0 IFAARN O=C(NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1)c1cc2ccccc2oc1=O ZINC000011693861 557232891 /nfs/dbraw/zinc/23/28/91/557232891.db2.gz FFXUISKQDSEDPE-UHFFFAOYSA-N 0 0 445.410 2.846 50 0 IFAARN CN(Cc1ccccc1Br)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000018074396 557235321 /nfs/dbraw/zinc/23/53/21/557235321.db2.gz VNZYUGMROCFXAE-UHFFFAOYSA-N 0 0 436.331 2.536 50 0 IFAARN O=C(Nc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1)[C@H]1CCCO1 ZINC000026279103 557238317 /nfs/dbraw/zinc/23/83/17/557238317.db2.gz IINRXKNIXMTECF-HSZRJFAPSA-N 0 0 435.524 2.697 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@](O)(c3ccoc3)c3ccco3)n(C)n2)c1 ZINC000390827025 557239031 /nfs/dbraw/zinc/23/90/31/557239031.db2.gz SIBPIOXXWLIWCU-QHCPKHFHSA-N 0 0 437.452 2.956 50 0 IFAARN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 ZINC000026308582 557239061 /nfs/dbraw/zinc/23/90/61/557239061.db2.gz CAHFSNLFECDYLX-KSSFIOAISA-N 0 0 428.480 2.593 50 0 IFAARN COC(=O)C[C@@H](c1coc2ccccc2c1=O)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604405910 557239234 /nfs/dbraw/zinc/23/92/34/557239234.db2.gz WXFDVKVNBFGULO-KRWDZBQOSA-N 0 0 449.463 2.630 50 0 IFAARN O=C(CSc1nccc(C(F)(F)F)n1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000026340778 557239402 /nfs/dbraw/zinc/23/94/02/557239402.db2.gz HZDJNVSSMCVNBF-CYBMUJFWSA-N 0 0 431.461 2.808 50 0 IFAARN COc1ccc(OCCN2CCN(C(=O)Cc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000018121354 557240068 /nfs/dbraw/zinc/24/00/68/557240068.db2.gz VJIUFSXWJHAQGN-UHFFFAOYSA-N 0 0 437.540 2.588 50 0 IFAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)N3CCN(c4cccc(C)c4C)CC3)n2)cc1 ZINC000583649219 557240367 /nfs/dbraw/zinc/24/03/67/557240367.db2.gz KXDCMRGLLSYWNJ-QFIPXVFZSA-N 0 0 435.528 2.600 50 0 IFAARN C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCCO1 ZINC000026398682 557240484 /nfs/dbraw/zinc/24/04/84/557240484.db2.gz NMSVXUCSVPNQQU-WBMJQRKESA-N 0 0 436.361 2.577 50 0 IFAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000026409230 557240699 /nfs/dbraw/zinc/24/06/99/557240699.db2.gz ULEWKZOTSLCJFO-OXJNMPFZSA-N 0 0 448.541 2.810 50 0 IFAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000026409220 557240780 /nfs/dbraw/zinc/24/07/80/557240780.db2.gz ULEWKZOTSLCJFO-UZLBHIALSA-N 0 0 448.541 2.810 50 0 IFAARN CCc1ncnc(O[C@H]2CCN(C(=O)c3cn(CC)c4nc(C)ccc4c3=O)C2)c1F ZINC000390829221 557242837 /nfs/dbraw/zinc/24/28/37/557242837.db2.gz XMLQVMJZWBHVIO-AWEZNQCLSA-N 0 0 425.464 2.510 50 0 IFAARN Cc1cc2nc(NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c3ccccc3n2n1 ZINC000026761797 557247552 /nfs/dbraw/zinc/24/75/52/557247552.db2.gz FLCOYAFILXRJDD-UHFFFAOYSA-N 0 0 437.525 2.824 50 0 IFAARN COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604404944 557248195 /nfs/dbraw/zinc/24/81/95/557248195.db2.gz JVYPGVAPOGPLEH-QGZVFWFLSA-N 0 0 448.479 2.777 50 0 IFAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3c(c1)n(C)c(=O)n3C)c1cn(C)c3cccc(c13)N2 ZINC000604405311 557248987 /nfs/dbraw/zinc/24/89/87/557248987.db2.gz YTRMAMVSNWBBLF-NRFANRHFSA-N 0 0 441.491 2.569 50 0 IFAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(CCn2c(=O)oc3ccccc32)CC1 ZINC000026913043 557251274 /nfs/dbraw/zinc/25/12/74/557251274.db2.gz SSYAAWAQKCDHNY-HXUWFJFHSA-N 0 0 429.904 2.780 50 0 IFAARN Cn1cc(CCNC(=O)C[C@@H]2NC(=O)N(c3cc(F)c(F)c(F)c3)C2=O)c2ccccc21 ZINC000604419318 557251535 /nfs/dbraw/zinc/25/15/35/557251535.db2.gz RRXWDAGJIVHBAC-KRWDZBQOSA-N 0 0 444.413 2.769 50 0 IFAARN Cn1nc2c(c1NC(=O)CN1C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]31)CSC2 ZINC000604419804 557252015 /nfs/dbraw/zinc/25/20/15/557252015.db2.gz ZKBQNKBPQBABME-NRFANRHFSA-N 0 0 445.504 2.920 50 0 IFAARN Cc1cccc2c(=O)n(CCCC(=O)O[C@@H](C)C(=O)NCc3ccc(F)cc3)cnc12 ZINC000026951802 557252117 /nfs/dbraw/zinc/25/21/17/557252117.db2.gz NUYBBOWEKSFWON-INIZCTEOSA-N 0 0 425.460 2.872 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)cc1Cl ZINC000390830191 557256530 /nfs/dbraw/zinc/25/65/30/557256530.db2.gz JILXLVRFUBGKJF-SFHVURJKSA-N 0 0 429.947 2.899 50 0 IFAARN CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)CC1 ZINC000000812608 557257273 /nfs/dbraw/zinc/25/72/73/557257273.db2.gz XSBYVAQJKNIKNL-UHFFFAOYSA-N 0 0 440.529 2.593 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390831663 557258905 /nfs/dbraw/zinc/25/89/05/557258905.db2.gz TYXVYQVPLPRVHC-QRWLVFNGSA-N 0 0 448.491 2.706 50 0 IFAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@H]1c1ccccc1OC ZINC000101170320 557259956 /nfs/dbraw/zinc/25/99/56/557259956.db2.gz WJXQXEXBWZCTBA-FQEVSTJZSA-N 0 0 443.525 2.692 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H](C(=O)c2ccc(F)cc2)n2ccccc2=O)cc1OC ZINC000000819429 557262691 /nfs/dbraw/zinc/26/26/91/557262691.db2.gz IAKAIDPXTLOPJL-JOCHJYFZSA-N 0 0 438.455 2.788 50 0 IFAARN Cc1cc(N2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)nc(C(C)C)n1 ZINC000027545989 557264835 /nfs/dbraw/zinc/26/48/35/557264835.db2.gz GONPXEHEJFNJLG-UHFFFAOYSA-N 0 0 425.533 2.830 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@](C)(CC)[C@H]3C2=O)cc1 ZINC000101261817 557265396 /nfs/dbraw/zinc/26/53/96/557265396.db2.gz XWCNBSANBFCENW-VFGMZZLHSA-N 0 0 432.523 2.945 50 0 IFAARN O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCCN1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000100630920 557267000 /nfs/dbraw/zinc/26/70/00/557267000.db2.gz FEERXLCCEREQFW-WCVJEAGWSA-N 0 0 425.312 2.802 50 0 IFAARN CCCS(=O)(=O)Nc1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)c(F)cc1F ZINC000072271979 557267261 /nfs/dbraw/zinc/26/72/61/557267261.db2.gz HAIVZNYQDLQDCX-UHFFFAOYSA-N 0 0 432.470 2.852 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000027639423 557267786 /nfs/dbraw/zinc/26/77/86/557267786.db2.gz DYCZTYRMKWGIGL-NSHDSACASA-N 0 0 445.419 2.849 50 0 IFAARN COc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)Cc3cccc(C)c3)s2)cc1 ZINC000027664206 557270346 /nfs/dbraw/zinc/27/03/46/557270346.db2.gz ANBGSKCILRFKPW-UHFFFAOYSA-N 0 0 433.511 2.847 50 0 IFAARN COc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3ccc(N(C)C)cc3)CC2)cc1 ZINC000022925597 557273631 /nfs/dbraw/zinc/27/36/31/557273631.db2.gz SLOBZAPJIMIKRU-LJQANCHMSA-N 0 0 426.561 2.785 50 0 IFAARN COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc(Br)c4)C(O)=C23)c(OC)c1 ZINC000101358983 557275552 /nfs/dbraw/zinc/27/55/52/557275552.db2.gz YGSIKGVIXXFPIC-DOTOQJQBSA-N 0 0 431.242 2.759 50 0 IFAARN CCCCn1c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(O)c3)C2)c([O-])[nH]c1=S ZINC000101455674 557285840 /nfs/dbraw/zinc/28/58/40/557285840.db2.gz YAXNBLLNCVYINZ-CQSZACIVSA-N 0 0 432.502 2.823 50 0 IFAARN Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1C ZINC000011665879 557293740 /nfs/dbraw/zinc/29/37/40/557293740.db2.gz HLDLEYIFWYAUNS-UHFFFAOYSA-N 0 0 431.475 2.929 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1 ZINC000011665885 557293760 /nfs/dbraw/zinc/29/37/60/557293760.db2.gz XNEXYLCBECDMMX-UHFFFAOYSA-N 0 0 447.474 2.711 50 0 IFAARN O=c1cc(CN(Cc2ccco2)Cc2cc(=O)n3ccsc3n2)nc2sccn21 ZINC000013117219 557296468 /nfs/dbraw/zinc/29/64/68/557296468.db2.gz XTQRHOMGLDFJET-UHFFFAOYSA-N 0 0 425.495 2.621 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1ncn2nc(-c3ccc(Cl)cc3)cc2c1=O ZINC000011666401 557298314 /nfs/dbraw/zinc/29/83/14/557298314.db2.gz QSGDXQQOZSAGLW-UHFFFAOYSA-N 0 0 437.843 2.637 50 0 IFAARN COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc1OC ZINC000011666419 557299465 /nfs/dbraw/zinc/29/94/65/557299465.db2.gz PWLQDLNPCUNVCE-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN Cc1ccc(CNc2nn3c(nc(C)c(CCC(=O)Nc4cccc(C)n4)c3=O)[nH]2)cc1 ZINC000101834999 557301682 /nfs/dbraw/zinc/30/16/82/557301682.db2.gz HVABCLRPXMEUEI-UHFFFAOYSA-N 0 0 431.500 2.921 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc2cnccc21 ZINC000011666897 557302114 /nfs/dbraw/zinc/30/21/14/557302114.db2.gz OYTCBVBAROHIPJ-UHFFFAOYSA-N 0 0 427.482 2.517 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1ccc2c(c1)OCO2 ZINC000014095892 557302801 /nfs/dbraw/zinc/30/28/01/557302801.db2.gz IGNXETBTWOBDAJ-IZHWHUGBSA-N 0 0 435.480 2.766 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3/C(=C/NCCCC(=O)OC)C2=O)cc1 ZINC000103004540 557311561 /nfs/dbraw/zinc/31/15/61/557311561.db2.gz MZWOTXBZNXPVFU-HKWRFOASSA-N 0 0 436.464 2.934 50 0 IFAARN COC(=O)[C@@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn2[C@@H]1C(=O)OC ZINC000102112650 557312363 /nfs/dbraw/zinc/31/23/63/557312363.db2.gz AXLVOYPILFLVGR-UXHICEINSA-N 0 0 448.479 2.777 50 0 IFAARN COC(=O)[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn2[C@@H]1C(=O)OC ZINC000102112662 557312393 /nfs/dbraw/zinc/31/23/93/557312393.db2.gz AXLVOYPILFLVGR-PMACEKPBSA-N 0 0 448.479 2.777 50 0 IFAARN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000220962981 557312762 /nfs/dbraw/zinc/31/27/62/557312762.db2.gz RHQYAFKFNZOQMD-YVLHZVERSA-N 0 0 444.484 2.986 50 0 IFAARN COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000032774353 557314373 /nfs/dbraw/zinc/31/43/73/557314373.db2.gz KSZLUNIXYGTMKA-OAQYLSRUSA-N 0 0 441.528 2.758 50 0 IFAARN COc1cc2nc(CSc3nnc(N4CCCC4)n3C3CC3)[nH]c(=O)c2cc1OC ZINC000032801695 557316162 /nfs/dbraw/zinc/31/61/62/557316162.db2.gz DVPNHLHPMWZWPT-UHFFFAOYSA-N 0 0 428.518 2.759 50 0 IFAARN CCCCNC(=O)Cc1ccc(-n2c(=O)c3ccc(C(=O)OC)cc3[nH]c2=S)cc1 ZINC000032959260 557319131 /nfs/dbraw/zinc/31/91/31/557319131.db2.gz ZLLLYIHVUZCTNF-UHFFFAOYSA-N 0 0 425.510 2.920 50 0 IFAARN O=C(c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2cccs2)c1)N1CCCCCC1 ZINC000033033289 557321715 /nfs/dbraw/zinc/32/17/15/557321715.db2.gz DAVOXEFQTLBAJP-UHFFFAOYSA-N 0 0 448.614 2.975 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(C(N)=O)cc1F ZINC000072307932 557326629 /nfs/dbraw/zinc/32/66/29/557326629.db2.gz ZTCPRYSRLWUNBP-UHFFFAOYSA-N 0 0 449.504 2.750 50 0 IFAARN CC[C@H](C)C(=O)Nc1c2cc(N[C@H](C)CO)cnc2n(C[C@@H]2CCCO2)c1C(=O)OC ZINC000104496788 557327176 /nfs/dbraw/zinc/32/71/76/557327176.db2.gz VEEDIMUKVLRSTN-LZWOXQAQSA-N 0 0 432.521 2.779 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(Cc2csc(C)n2)CC1 ZINC000024468545 557327378 /nfs/dbraw/zinc/32/73/78/557327378.db2.gz ZMRYQXCXJFIXMB-UHFFFAOYSA-N 0 0 446.392 2.729 50 0 IFAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)NC[C@H]4CCCO4)CC3)s2)cc1 ZINC000033273048 557328922 /nfs/dbraw/zinc/32/89/22/557328922.db2.gz YJJWFUPYHNPWJW-QGZVFWFLSA-N 0 0 445.545 2.867 50 0 IFAARN COc1cccc([C@@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c2nccn2C)c1 ZINC000222054254 557332863 /nfs/dbraw/zinc/33/28/63/557332863.db2.gz KIIVTNBSNHCWPX-NBCNXNJRSA-N 0 0 431.558 2.833 50 0 IFAARN CC(C)CCN(C(=O)Cc1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014579115 557343311 /nfs/dbraw/zinc/34/33/11/557343311.db2.gz FPIFBTZDHYQIOO-UHFFFAOYSA-N 0 0 426.542 2.850 50 0 IFAARN C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O)c1cc2ccccc2o1 ZINC000023349182 557350661 /nfs/dbraw/zinc/35/06/61/557350661.db2.gz NBUSLUMLQCVZHW-GFCCVEGCSA-N 0 0 425.470 2.739 50 0 IFAARN Cc1ncn(CC(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4F)no3)C2)c(=O)c1C ZINC000220696635 557364226 /nfs/dbraw/zinc/36/42/26/557364226.db2.gz SSFRERLMOHITHQ-INIZCTEOSA-N 0 0 425.464 2.531 50 0 IFAARN CC(C)CCN(C(=O)[C@@H]1CC1(Cl)Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023683912 557371381 /nfs/dbraw/zinc/37/13/81/557371381.db2.gz RUDWPJVAQFPKHR-AWEZNQCLSA-N 0 0 439.343 2.740 50 0 IFAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4cc5ccccc5oc4=O)CC3)C2=O)cc1 ZINC000011694074 557391913 /nfs/dbraw/zinc/39/19/13/557391913.db2.gz HSSAURRAPCYFQR-UHFFFAOYSA-N 0 0 445.475 2.828 50 0 IFAARN CCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000011694046 557391945 /nfs/dbraw/zinc/39/19/45/557391945.db2.gz HLBFLQQIADMQDI-UHFFFAOYSA-N 0 0 425.460 2.951 50 0 IFAARN COc1ccc(NC(=O)CN2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1OC ZINC000011695763 557393881 /nfs/dbraw/zinc/39/38/81/557393881.db2.gz IWEZLWSNHCLTRW-UHFFFAOYSA-N 0 0 435.528 2.959 50 0 IFAARN COc1ccc(CN(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2cccnc2)cc1 ZINC000011696071 557394229 /nfs/dbraw/zinc/39/42/29/557394229.db2.gz SUMMSEOEJVHUBL-UHFFFAOYSA-N 0 0 425.510 2.944 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000011698109 557395039 /nfs/dbraw/zinc/39/50/39/557395039.db2.gz YKGFAVOKGGYNBI-UHFFFAOYSA-N 0 0 445.541 2.840 50 0 IFAARN O=C(NCCn1ccc2cc(Br)ccc21)[C@H](c1ccccc1)n1cnnn1 ZINC000072402695 557395378 /nfs/dbraw/zinc/39/53/78/557395378.db2.gz JCABMJPEIYUKJK-SFHVURJKSA-N 0 0 425.290 2.796 50 0 IFAARN Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000013955822 557397769 /nfs/dbraw/zinc/39/77/69/557397769.db2.gz OINDADQOLJGZGT-UHFFFAOYSA-N 0 0 431.468 2.797 50 0 IFAARN Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000013956431 557398191 /nfs/dbraw/zinc/39/81/91/557398191.db2.gz AUFJOYJKGBBONE-UHFFFAOYSA-N 0 0 449.458 2.936 50 0 IFAARN O=C(/C=C\c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000033467022 557400437 /nfs/dbraw/zinc/40/04/37/557400437.db2.gz NANPREVYBWIOIB-DAXSKMNVSA-N 0 0 448.928 2.658 50 0 IFAARN COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000033489373 557401875 /nfs/dbraw/zinc/40/18/75/557401875.db2.gz QXSFCHGVJZXZQX-SFHVURJKSA-N 0 0 431.539 2.795 50 0 IFAARN O=C(CCCCCn1cnc2ccccc2c1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033523648 557404389 /nfs/dbraw/zinc/40/43/89/557404389.db2.gz QFISFBLKURJDBK-MOPGFXCFSA-N 0 0 432.524 2.765 50 0 IFAARN CCOC(=O)c1oc2ccccc2c1COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000102957133 557413679 /nfs/dbraw/zinc/41/36/79/557413679.db2.gz KVAPTMPALFFXED-HOTGVXAUSA-N 0 0 425.437 2.994 50 0 IFAARN Cc1ccc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCOCC3)CC2)c(C)c1 ZINC000004956290 557415361 /nfs/dbraw/zinc/41/53/61/557415361.db2.gz CFIIFEGZILWMPK-UHFFFAOYSA-N 0 0 425.529 2.593 50 0 IFAARN O=C(c1cc(F)ccc1Br)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014181353 557425304 /nfs/dbraw/zinc/42/53/04/557425304.db2.gz RFSVGVHZUZSTAP-UHFFFAOYSA-N 0 0 427.295 2.735 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000103198721 557427356 /nfs/dbraw/zinc/42/73/56/557427356.db2.gz QWQVVCYMLAIGSD-HUUCEWRRSA-N 0 0 449.488 2.646 50 0 IFAARN C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000103266923 557432634 /nfs/dbraw/zinc/43/26/34/557432634.db2.gz XSUFDSFPXMQTHC-IACUBPJLSA-N 0 0 425.466 2.817 50 0 IFAARN CC(=O)C[C@@H]1N(Cc2ccccc2)C(=O)[C@@H]2N(c3ccc(C)c(C)c3)C(=O)[C@H]3CC(=O)O[C@]231 ZINC000104779599 557461774 /nfs/dbraw/zinc/46/17/74/557461774.db2.gz YXJDWIYXSUAMBD-ZJPWWDJASA-N 0 0 446.503 2.711 50 0 IFAARN COc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)c(OC)c1 ZINC000051316683 557464240 /nfs/dbraw/zinc/46/42/40/557464240.db2.gz KXDKZMMGTHTNLN-UHFFFAOYSA-N 0 0 437.481 2.857 50 0 IFAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2nccs2)cc1 ZINC000051316555 557464275 /nfs/dbraw/zinc/46/42/75/557464275.db2.gz WABYSVCUMZRKAG-UHFFFAOYSA-N 0 0 428.499 2.695 50 0 IFAARN Cc1ccc2c(c1)N(C(=O)CSc1nc3n[nH]cc3c(=O)n1-c1ccccc1)CCO2 ZINC000051316693 557464787 /nfs/dbraw/zinc/46/47/87/557464787.db2.gz VSBIPESZGCUVGH-UHFFFAOYSA-N 0 0 433.493 2.935 50 0 IFAARN O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ncccn3)C[C@H]12 ZINC000104917044 557464999 /nfs/dbraw/zinc/46/49/99/557464999.db2.gz XYYCUXZNXHZJQG-IEBWSBKVSA-N 0 0 431.462 2.889 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(CC)cc4)ncn3n2)cc1 ZINC000051316939 557466014 /nfs/dbraw/zinc/46/60/14/557466014.db2.gz SLTBCMNSSNTVMQ-UHFFFAOYSA-N 0 0 431.496 2.836 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1ccccc1F ZINC000104937416 557466050 /nfs/dbraw/zinc/46/60/50/557466050.db2.gz MRZIBNOJDAVASX-FOIQADDNSA-N 0 0 447.507 2.614 50 0 IFAARN COc1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1OC ZINC000051317032 557466346 /nfs/dbraw/zinc/46/63/46/557466346.db2.gz IUAXPBZPLMJABV-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN Cc1c(C(=O)N2CCN(c3ccccn3)CC2)nnn1-c1ccc(Br)cc1 ZINC000051317472 557469170 /nfs/dbraw/zinc/46/91/70/557469170.db2.gz HRVHZXDGGCMRLX-UHFFFAOYSA-N 0 0 427.306 2.696 50 0 IFAARN COC(=O)C1C(CN2CCN(c3ccccc3F)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318390 557469858 /nfs/dbraw/zinc/46/98/58/557469858.db2.gz USRGQTMHQFPJDN-JOCHJYFZSA-N 0 0 438.503 2.737 50 0 IFAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](C)O ZINC000105004014 557471193 /nfs/dbraw/zinc/47/11/93/557471193.db2.gz JJZKUCMBOJFLHU-RXVVDRJESA-N 0 0 432.586 2.891 50 0 IFAARN CCOC(=O)C(NC(=O)CSc1cc(C)c(Br)cc1C)C(=O)OCC ZINC000016478059 557474302 /nfs/dbraw/zinc/47/43/02/557474302.db2.gz HNLBZTISNDHUOI-UHFFFAOYSA-N 0 0 432.336 2.769 50 0 IFAARN O=C(N1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000014849030 557495445 /nfs/dbraw/zinc/49/54/45/557495445.db2.gz DAGWJIHOKZNYIE-UHFFFAOYSA-N 0 0 425.860 2.881 50 0 IFAARN CC[C@H]1CCc2sc(-c3nnc(SCc4cc(=O)n5nc(N)[nH]c5n4)n3C)cc2C1 ZINC000105432638 557498560 /nfs/dbraw/zinc/49/85/60/557498560.db2.gz PTNZPHPMFJQCCU-JTQLQIEISA-N 0 0 442.574 2.664 50 0 IFAARN COCCn1c(SCc2ccccc2C(=O)N2CCOCC2)nnc1-c1ccncc1 ZINC000105577134 557507674 /nfs/dbraw/zinc/50/76/74/557507674.db2.gz VPFPTEUVUAAGJX-UHFFFAOYSA-N 0 0 439.541 2.751 50 0 IFAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@H]4C2=O)no1 ZINC000106015601 557512755 /nfs/dbraw/zinc/51/27/55/557512755.db2.gz HIRQDSRUPIDXSW-DFYYWFRZSA-N 0 0 434.279 2.893 50 0 IFAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000046814613 557512986 /nfs/dbraw/zinc/51/29/86/557512986.db2.gz QQDSRMPYFGQYFY-UHFFFAOYSA-N 0 0 442.541 2.921 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012030589 557524027 /nfs/dbraw/zinc/52/40/27/557524027.db2.gz SNSLJUHTIPMEPI-HNNXBMFYSA-N 0 0 443.930 2.562 50 0 IFAARN O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031349 557524164 /nfs/dbraw/zinc/52/41/64/557524164.db2.gz YPZQKGZKPLBIEU-AWEZNQCLSA-N 0 0 431.894 2.692 50 0 IFAARN O=C(Nc1cccc2cccnc21)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031488 557524410 /nfs/dbraw/zinc/52/44/10/557524410.db2.gz HAIRUNWUIARWSB-HNNXBMFYSA-N 0 0 448.497 2.587 50 0 IFAARN COc1ccc(-n2c3nc(-c4ccc(C(F)(F)F)cc4)nc(C(N)=O)c3[nH]c2=O)cc1 ZINC000012080840 557527655 /nfs/dbraw/zinc/52/76/55/557527655.db2.gz YOIQGDWYBDHGDI-UHFFFAOYSA-N 0 0 429.358 2.902 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C1CCCCC1)O[C@@H](C)C(=O)N2 ZINC000106324881 557528221 /nfs/dbraw/zinc/52/82/21/557528221.db2.gz YWLRSEZBFBWHIT-MAUKXSAKSA-N 0 0 449.573 2.659 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000044787056 557537179 /nfs/dbraw/zinc/53/71/79/557537179.db2.gz LEOCVVZLJGGKCH-SFHVURJKSA-N 0 0 437.905 2.854 50 0 IFAARN COCC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C[C@@H]1CCCO1 ZINC000044854735 557537739 /nfs/dbraw/zinc/53/77/39/557537739.db2.gz VFSBCBBNCZXBEZ-IBGZPJMESA-N 0 0 449.525 2.617 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O ZINC000044837204 557538924 /nfs/dbraw/zinc/53/89/24/557538924.db2.gz ZFFFFMYBTMNIAM-UHFFFAOYSA-N 0 0 426.839 2.776 50 0 IFAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000044840510 557539299 /nfs/dbraw/zinc/53/92/99/557539299.db2.gz QMCTYWSPBUUJJW-KRWDZBQOSA-N 0 0 438.503 2.622 50 0 IFAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O ZINC000044840546 557539342 /nfs/dbraw/zinc/53/93/42/557539342.db2.gz OSJNBORMKQPJJD-KRWDZBQOSA-N 0 0 438.503 2.622 50 0 IFAARN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)C1 ZINC000108174576 557541994 /nfs/dbraw/zinc/54/19/94/557541994.db2.gz AFJRDKZSKWDLSA-VOBQZIQPSA-N 0 0 428.485 2.951 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000109029355 557545315 /nfs/dbraw/zinc/54/53/15/557545315.db2.gz WYSKDSWBLMZQJN-FGZHOGPDSA-N 0 0 429.520 2.817 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)C1 ZINC000045895172 557546404 /nfs/dbraw/zinc/54/64/04/557546404.db2.gz PTQGPESDTGLHOG-MRXNPFEDSA-N 0 0 432.542 2.954 50 0 IFAARN CC1(C)c2cc(S(=O)(=O)N3CCCCC3)ccc2N(CC(=O)N2CCCCCC2)C1=O ZINC000045913172 557547367 /nfs/dbraw/zinc/54/73/67/557547367.db2.gz UMHVAFWTMIRBGF-UHFFFAOYSA-N 0 0 447.601 2.888 50 0 IFAARN O=C(CSc1n[nH]c(=O)c2cc(-c3cccs3)nn21)NCCCc1ccccc1 ZINC000045938919 557548220 /nfs/dbraw/zinc/54/82/20/557548220.db2.gz RSPZIWYYRIGCAF-UHFFFAOYSA-N 0 0 425.539 2.987 50 0 IFAARN CCOc1ccccc1CNC(=O)CN1C(=O)CSc2ccc(C(=O)N(C)C)cc21 ZINC000045960750 557554589 /nfs/dbraw/zinc/55/45/89/557554589.db2.gz OSDSLABPDXKCDE-UHFFFAOYSA-N 0 0 427.526 2.542 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3cccc(OC)c3)CC2)c1C ZINC000045973954 557555813 /nfs/dbraw/zinc/55/58/13/557555813.db2.gz GQNADGGWHQQGMN-UHFFFAOYSA-N 0 0 441.528 2.985 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000045970037 557557551 /nfs/dbraw/zinc/55/75/51/557557551.db2.gz PFKMIQGLQJQMFM-UHFFFAOYSA-N 0 0 442.431 2.949 50 0 IFAARN CC(=O)c1cccc(OC[C@@H](O)Cn2c(C[C@@H]3CCS(=O)(=O)C3)nc3ccccc32)c1 ZINC000040050651 557685835 /nfs/dbraw/zinc/68/58/35/557685835.db2.gz VCNFEASNCDQVJS-HKUYNNGSSA-N 0 0 442.537 2.656 50 0 IFAARN C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000225436043 557722568 /nfs/dbraw/zinc/72/25/68/557722568.db2.gz VWMMRPOXJIMIBQ-QPJICYPMSA-N 0 0 442.512 2.980 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000028695863 557729076 /nfs/dbraw/zinc/72/90/76/557729076.db2.gz DQVUFLQKUNFSHN-UHFFFAOYSA-N 0 0 443.433 2.864 50 0 IFAARN Fc1ccc(Br)nc1-c1noc(C2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000225515345 557733502 /nfs/dbraw/zinc/73/35/02/557733502.db2.gz OFHNUTAZGMMWKL-UHFFFAOYSA-N 0 0 445.256 2.855 50 0 IFAARN CCOc1c(Br)cc(C(=O)NCc2ncccc2S(C)(=O)=O)cc1OC ZINC000225611178 557751539 /nfs/dbraw/zinc/75/15/39/557751539.db2.gz LJXWYFOSLPKQBO-UHFFFAOYSA-N 0 0 443.319 2.585 50 0 IFAARN C[C@@H](NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1Cc1ccco1)c1ccc(F)cc1 ZINC000225684482 557763161 /nfs/dbraw/zinc/76/31/61/557763161.db2.gz IXACZGYEDOLFMW-CYBMUJFWSA-N 0 0 432.477 2.587 50 0 IFAARN Cc1ccc(C2=NO[C@H](CNC(=O)c3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)C2)cc1 ZINC000225744126 557772003 /nfs/dbraw/zinc/77/20/03/557772003.db2.gz HUDDPHCGUJMMKR-MOPGFXCFSA-N 0 0 447.491 2.693 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@@H]2CN(C(=O)c3ccncc3)CC23CCCCC3)CC1 ZINC000096309915 557776950 /nfs/dbraw/zinc/77/69/50/557776950.db2.gz LRERJZVVIFSJHY-FQEVSTJZSA-N 0 0 427.545 2.906 50 0 IFAARN CC[C@H]1CCCCN1C(=O)CN1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000225843385 557784150 /nfs/dbraw/zinc/78/41/50/557784150.db2.gz QSKRQRRVLVWEHO-FQEVSTJZSA-N 0 0 444.601 2.722 50 0 IFAARN COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000024985648 557828837 /nfs/dbraw/zinc/82/88/37/557828837.db2.gz CZQYECRUIQPNIS-MEBBXXQBSA-N 0 0 433.313 2.694 50 0 IFAARN CCOc1ccc([C@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCOCC2)cc1OC ZINC000024986941 557828891 /nfs/dbraw/zinc/82/88/91/557828891.db2.gz ZNASOMHLEZVDEM-SFHVURJKSA-N 0 0 428.485 2.626 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cncn2-c2ccc(F)cc2)cc1OC ZINC000018530697 557829349 /nfs/dbraw/zinc/82/93/49/557829349.db2.gz FJFFCEHGJNWNMC-AWEZNQCLSA-N 0 0 427.432 2.890 50 0 IFAARN C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H]2CCCC[C@@H]12 ZINC000229578032 557832747 /nfs/dbraw/zinc/83/27/47/557832747.db2.gz IOGWZIOWWQYFPJ-NEWSRXKRSA-N 0 0 436.574 2.944 50 0 IFAARN O=C(NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1)Nc1cccc(F)c1 ZINC000439100698 557840202 /nfs/dbraw/zinc/84/02/02/557840202.db2.gz OYBXJQSVVSFHKG-AWEZNQCLSA-N 0 0 438.463 2.701 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(COc3cc(C)cc(C)c3)n2N)c1C ZINC000018744043 557855779 /nfs/dbraw/zinc/85/57/79/557855779.db2.gz ZNFZYHPOXHNZBL-UHFFFAOYSA-N 0 0 443.529 2.894 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)cc1 ZINC000000886873 557855783 /nfs/dbraw/zinc/85/57/83/557855783.db2.gz DBIVQCFSOOQINR-HXUWFJFHSA-N 0 0 432.542 2.884 50 0 IFAARN COc1ccc(N2C(=O)C(Cl)=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000000934343 562919679 /nfs/dbraw/zinc/91/96/79/562919679.db2.gz WFJYRTLNZNDOOH-UHFFFAOYSA-N 0 0 438.871 2.929 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)O[C@@H]1CSC[C@H]1NC(=O)c1ccccc1 ZINC000001070903 562920243 /nfs/dbraw/zinc/92/02/43/562920243.db2.gz RAJPRPMKDJYCLH-RTBURBONSA-N 0 0 438.505 2.520 50 0 IFAARN CC1(C)NC(=O)N(C[C@@H](O)COc2cc3ccccc3cc2C(=O)N2CCCCC2)C1=O ZINC000002202964 562926304 /nfs/dbraw/zinc/92/63/04/562926304.db2.gz KSACHZWXBFKHEO-GOSISDBHSA-N 0 0 439.512 2.536 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2 ZINC000002359718 562927097 /nfs/dbraw/zinc/92/70/97/562927097.db2.gz VBMHLKGNVOJCNA-UHFFFAOYSA-N 0 0 430.526 2.687 50 0 IFAARN CCOc1ccc(OCC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000002628361 562928728 /nfs/dbraw/zinc/92/87/28/562928728.db2.gz YHRWIHVYPUPRJD-UHFFFAOYSA-N 0 0 433.258 2.978 50 0 IFAARN COc1ccccc1CNC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000002654252 562929448 /nfs/dbraw/zinc/92/94/48/562929448.db2.gz VZEJEOVDBMOPOO-UHFFFAOYSA-N 0 0 429.476 2.807 50 0 IFAARN O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000002662527 562929706 /nfs/dbraw/zinc/92/97/06/562929706.db2.gz REBIACRSALOIJD-IBGZPJMESA-N 0 0 448.928 2.626 50 0 IFAARN COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000003326814 562934297 /nfs/dbraw/zinc/93/42/97/562934297.db2.gz UITYQRROVRICNT-IBGZPJMESA-N 0 0 430.526 2.524 50 0 IFAARN Cc1nnc(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)n1Cc1ccccc1 ZINC000003332589 562934374 /nfs/dbraw/zinc/93/43/74/562934374.db2.gz ZBEQSCLJUAGGDM-UHFFFAOYSA-N 0 0 427.505 2.963 50 0 IFAARN COCCN(C(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003344968 562934517 /nfs/dbraw/zinc/93/45/17/562934517.db2.gz QWUVOORUPHIUNO-UHFFFAOYSA-N 0 0 444.491 2.614 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN(C)CC(=O)Nc2ccccc2Br)c1 ZINC000003363014 562934837 /nfs/dbraw/zinc/93/48/37/562934837.db2.gz FZOIGUDNUCIBHK-UHFFFAOYSA-N 0 0 436.306 2.975 50 0 IFAARN Cc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n1Cc1ccccc1 ZINC000003386590 562935088 /nfs/dbraw/zinc/93/50/88/562935088.db2.gz LBGBIOBSUMUXKE-UHFFFAOYSA-N 0 0 449.458 2.899 50 0 IFAARN CCOc1ccccc1N1C[C@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1=O ZINC000003411506 562935364 /nfs/dbraw/zinc/93/53/64/562935364.db2.gz FCRXASDBUJAROX-QGZVFWFLSA-N 0 0 434.496 2.875 50 0 IFAARN CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(=O)Nc1ccc2ccccc2c1 ZINC000003448274 562935974 /nfs/dbraw/zinc/93/59/74/562935974.db2.gz WMLCTGLPPRZKEU-OAQYLSRUSA-N 0 0 438.505 2.708 50 0 IFAARN COc1ccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(OC)c1 ZINC000003529774 562936350 /nfs/dbraw/zinc/93/63/50/562936350.db2.gz OFTBSTMRYQIJOX-UHFFFAOYSA-N 0 0 447.509 2.918 50 0 IFAARN COc1ccc(/C=C/C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000003566285 562936500 /nfs/dbraw/zinc/93/65/00/562936500.db2.gz LXJGMPTWXHCYIF-VMPITWQZSA-N 0 0 434.489 2.816 50 0 IFAARN Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](c4ccccc4)CC3=O)c2)s1 ZINC000003627425 562936892 /nfs/dbraw/zinc/93/68/92/562936892.db2.gz BLBCWLFMTHLIPJ-INIZCTEOSA-N 0 0 442.522 2.804 50 0 IFAARN COc1ccc(-n2nc(C(=O)NCC(=O)NC3CCCCC3)c3ccccc3c2=O)cc1 ZINC000003660331 562937536 /nfs/dbraw/zinc/93/75/36/562937536.db2.gz SPIMABAYPCAOMC-UHFFFAOYSA-N 0 0 434.496 2.573 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O ZINC000003960123 562940086 /nfs/dbraw/zinc/94/00/86/562940086.db2.gz QACLMRDCNPWGNR-KXBFYZLASA-N 0 0 431.558 2.632 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)NCc3ccc(F)cc3)o2)cc1 ZINC000003959628 562940099 /nfs/dbraw/zinc/94/00/99/562940099.db2.gz KIYUYJCLVPRGPX-UHFFFAOYSA-N 0 0 430.461 2.556 50 0 IFAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCCn4ccnc4)c12)OC(C)(C)CC3 ZINC000003985193 562940362 /nfs/dbraw/zinc/94/03/62/562940362.db2.gz LHFYUFSFCQDQKD-UHFFFAOYSA-N 0 0 425.485 2.987 50 0 IFAARN Cn1cccc1Cc1nnc(SCC(=O)NC[C@H]2CCCO2)n1CCc1ccccc1 ZINC000004034840 562940969 /nfs/dbraw/zinc/94/09/69/562940969.db2.gz OOLMJXFVJOOEHI-HXUWFJFHSA-N 0 0 439.585 2.837 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3cc(C)cc(C)c3)ccc21 ZINC000004076853 562941517 /nfs/dbraw/zinc/94/15/17/562941517.db2.gz DCBVKOZHBVBMDX-UHFFFAOYSA-N 0 0 429.542 2.910 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000004102108 562941934 /nfs/dbraw/zinc/94/19/34/562941934.db2.gz LZUDFIIOBFJSSR-UHFFFAOYSA-N 0 0 429.498 2.812 50 0 IFAARN O=C([C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)N1CCc2ccccc2C1 ZINC000004101921 562941937 /nfs/dbraw/zinc/94/19/37/562941937.db2.gz LSZAQYGDDGYJDN-KRWDZBQOSA-N 0 0 442.566 2.677 50 0 IFAARN CC[C@@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)CNC(=O)c1ccccc1 ZINC000004115441 562942138 /nfs/dbraw/zinc/94/21/38/562942138.db2.gz IUCHXVAMUWGYHD-YKSBVNFPSA-N 0 0 429.561 2.652 50 0 IFAARN COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn32)cc1OC ZINC000004143513 562942280 /nfs/dbraw/zinc/94/22/80/562942280.db2.gz MLIFRKPNGRYUGC-UHFFFAOYSA-N 0 0 425.470 2.810 50 0 IFAARN COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000006238630 562946522 /nfs/dbraw/zinc/94/65/22/562946522.db2.gz ACBRXOXTKVJHJJ-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN COC(=O)CN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(C)cc2)C1=O ZINC000006577221 562947527 /nfs/dbraw/zinc/94/75/27/562947527.db2.gz TXRCCSOLOJKLNZ-HXUWFJFHSA-N 0 0 432.270 2.738 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000006578008 562947997 /nfs/dbraw/zinc/94/79/97/562947997.db2.gz GSVRLSOJYQWDHX-HXUWFJFHSA-N 0 0 444.509 2.730 50 0 IFAARN COc1ccccc1NC(=O)CSc1nnc(Cn2c3ccccc3sc2=O)n1C ZINC000006578136 562948091 /nfs/dbraw/zinc/94/80/91/562948091.db2.gz UCQQSMZLWLGUIR-UHFFFAOYSA-N 0 0 441.538 2.979 50 0 aggregator IFAARN COc1ccc(NC(=O)C2=C(C)Nc3nc(CCCO)nn3[C@H]2c2ccc(O)cc2)cc1 ZINC000008583685 562949810 /nfs/dbraw/zinc/94/98/10/562949810.db2.gz ZUGHLDNMVMDYKT-NRFANRHFSA-N 0 0 435.484 2.845 50 0 IFAARN O=C(CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)NCc1ccc(Cl)cc1 ZINC000008588806 562950867 /nfs/dbraw/zinc/95/08/67/562950867.db2.gz AHWUUSXEURVKKH-UHFFFAOYSA-N 0 0 443.308 2.805 50 0 IFAARN COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008590111 562951465 /nfs/dbraw/zinc/95/14/65/562951465.db2.gz AMZYQLHSUBPOAY-KRWDZBQOSA-N 0 0 427.478 2.631 50 0 IFAARN COc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Br)c1N ZINC000008595425 562953456 /nfs/dbraw/zinc/95/34/56/562953456.db2.gz DUOOUGSCXXBOIZ-UHFFFAOYSA-N 0 0 445.277 2.522 50 0 aggregator IFAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccc(C(C)C)cc3)c2N)c1 ZINC000008595681 562953611 /nfs/dbraw/zinc/95/36/11/562953611.db2.gz GXTAJAGTTVCVCL-UHFFFAOYSA-N 0 0 438.488 2.892 50 0 IFAARN CCc1ccc(NC(=O)Cn2c(=O)ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000008600895 562955107 /nfs/dbraw/zinc/95/51/07/562955107.db2.gz OTMNTNWCLDMXSC-UHFFFAOYSA-N 0 0 439.537 2.987 50 0 IFAARN COC(=O)CN1c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2C(C)(C)C1=O ZINC000008600793 562955119 /nfs/dbraw/zinc/95/51/19/562955119.db2.gz HIQWDFHYLAZEGA-UHFFFAOYSA-N 0 0 436.917 2.616 50 0 IFAARN Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000008600996 562955154 /nfs/dbraw/zinc/95/51/54/562955154.db2.gz HFJKPQGSSXXAPU-UHFFFAOYSA-N 0 0 427.526 2.601 50 0 IFAARN COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4c(C)noc4C)n3n2)cc1 ZINC000008601518 562955364 /nfs/dbraw/zinc/95/53/64/562955364.db2.gz APEBUEZDOKDASN-UHFFFAOYSA-N 0 0 433.515 2.592 50 0 IFAARN Cc1ccc(N2C[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1C ZINC000008601611 562955512 /nfs/dbraw/zinc/95/55/12/562955512.db2.gz JASFOGNYTXDQAP-LJQANCHMSA-N 0 0 441.553 2.623 50 0 IFAARN CCCCOc1ccc(CNC(=O)c2cnc3sc(N4CCCC4)nn3c2=O)cc1 ZINC000008603395 562955989 /nfs/dbraw/zinc/95/59/89/562955989.db2.gz RWSBXQNQYGHQQT-UHFFFAOYSA-N 0 0 427.530 2.860 50 0 IFAARN CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1 ZINC000008603613 562956055 /nfs/dbraw/zinc/95/60/55/562956055.db2.gz GEQYTIQNBQIPDI-INIZCTEOSA-N 0 0 443.525 2.733 50 0 IFAARN CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1 ZINC000008603612 562956085 /nfs/dbraw/zinc/95/60/85/562956085.db2.gz GEQYTIQNBQIPDI-MRXNPFEDSA-N 0 0 443.525 2.733 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)c1 ZINC000008609874 562957994 /nfs/dbraw/zinc/95/79/94/562957994.db2.gz PQLHAFQFUISRKC-OAHLLOKOSA-N 0 0 433.530 2.875 50 0 IFAARN O=C(CN1c2cc(S(=O)(=O)N3CCCC3)ccc2SCCC1=O)Nc1ccccc1 ZINC000008610876 562958331 /nfs/dbraw/zinc/95/83/31/562958331.db2.gz ROLGMOHCGRYTGH-UHFFFAOYSA-N 0 0 445.566 2.939 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000008611296 562958490 /nfs/dbraw/zinc/95/84/90/562958490.db2.gz DMQLUAUSVQWSAB-UHFFFAOYSA-N 0 0 448.479 2.877 50 0 IFAARN COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCCCC3)c2C)cc1C ZINC000008611318 562958501 /nfs/dbraw/zinc/95/85/01/562958501.db2.gz LKMYFSZHZRFKOA-UHFFFAOYSA-N 0 0 441.575 2.619 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCC3CCC(C(=O)NC(C)(C)C)CC3)cc2C[C@@H]1C ZINC000008619032 562959784 /nfs/dbraw/zinc/95/97/84/562959784.db2.gz SIHYGGDOJGRZBW-ZLPCBKJTSA-N 0 0 449.617 2.984 50 0 IFAARN COCCn1c(=O)c2c(nc1SCC(=O)N1CCCc3ccccc31)C[C@@H](C)S2 ZINC000008623120 562960024 /nfs/dbraw/zinc/96/00/24/562960024.db2.gz TUGASCRYVWREDC-CQSZACIVSA-N 0 0 431.583 2.998 50 0 IFAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O ZINC000008634759 562960056 /nfs/dbraw/zinc/96/00/56/562960056.db2.gz WTOHZUGCYVUDBQ-KRWDZBQOSA-N 0 0 437.681 2.903 50 0 IFAARN O=C(c1cc(=O)[nH]c2ccccc21)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008666631 562960531 /nfs/dbraw/zinc/96/05/31/562960531.db2.gz RVPUHOAERBTDAT-UHFFFAOYSA-N 0 0 447.516 2.828 50 0 IFAARN CCNC(=O)COC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000008670724 562960698 /nfs/dbraw/zinc/96/06/98/562960698.db2.gz IXKPYECWMPSXOQ-OFNKIYASSA-N 0 0 440.496 2.867 50 0 IFAARN COC(=O)c1cc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CC2)cc(C(=O)OC)c1 ZINC000008682863 562961763 /nfs/dbraw/zinc/96/17/63/562961763.db2.gz BSIQZUGUKMJMEQ-UHFFFAOYSA-N 0 0 431.466 2.513 50 0 IFAARN CCN(C(=O)CSc1nnc(Nc2ccccc2C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000008684927 562962303 /nfs/dbraw/zinc/96/23/03/562962303.db2.gz PVANHDLTMUBGEG-CYBMUJFWSA-N 0 0 426.589 2.718 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2c(s1)CCCC2 ZINC000008692951 562963668 /nfs/dbraw/zinc/96/36/68/562963668.db2.gz HRQXJJWQYKYFHP-UHFFFAOYSA-N 0 0 436.555 2.909 50 0 IFAARN COc1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1S(=O)(=O)N1CCOCC1 ZINC000008774609 562964031 /nfs/dbraw/zinc/96/40/31/562964031.db2.gz ZSEMUVJSAZZWSR-UHFFFAOYSA-N 0 0 444.509 2.952 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1c2c(nc3ccccc31)CCC2 ZINC000008774826 562964165 /nfs/dbraw/zinc/96/41/65/562964165.db2.gz NCWFYERZCOEEFZ-UHFFFAOYSA-N 0 0 437.521 2.997 50 0 IFAARN CCc1cc(=O)oc2c(C)c(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)ccc12 ZINC000008877198 562965560 /nfs/dbraw/zinc/96/55/60/562965560.db2.gz BUCJKBMIQIMZCO-AEFFLSMTSA-N 0 0 434.492 2.850 50 0 IFAARN COc1cccc(CNC(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000008883513 562965764 /nfs/dbraw/zinc/96/57/64/562965764.db2.gz PYTWKROBIVSRLF-UHFFFAOYSA-N 0 0 432.476 2.952 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)sc2n1 ZINC000008933782 562966157 /nfs/dbraw/zinc/96/61/57/562966157.db2.gz JOAGFGFFIXNKHK-OAHLLOKOSA-N 0 0 431.949 2.688 50 0 IFAARN CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nn4c(nc(C)cc4=O)s3)C2)cc1 ZINC000008933798 562966245 /nfs/dbraw/zinc/96/62/45/562966245.db2.gz IDQPXSSDBVNJDS-MRXNPFEDSA-N 0 0 443.598 2.757 50 0 IFAARN CC[C@H](C(=O)NCCc1ccc(OC)c(OC)c1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000008965054 562966318 /nfs/dbraw/zinc/96/63/18/562966318.db2.gz WZBWBROYRWYORQ-MRXNPFEDSA-N 0 0 438.484 2.878 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(F)cc1F ZINC000009033957 562966709 /nfs/dbraw/zinc/96/67/09/562966709.db2.gz SUHJYAOFQCJYHR-VBKZILBWSA-N 0 0 432.379 2.781 50 0 IFAARN COc1ccc([S@@](=O)Cc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)o2)cc1 ZINC000009115713 562967214 /nfs/dbraw/zinc/96/72/14/562967214.db2.gz BZLSZRWEMNWHKE-WJOKGBTCSA-N 0 0 442.493 2.787 50 0 IFAARN COc1cc(CN(C(=O)c2cccs2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000009195101 562968081 /nfs/dbraw/zinc/96/80/81/562968081.db2.gz DFKZIACOASAKCB-CQSZACIVSA-N 0 0 425.528 2.603 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C(=O)N1CCCCCC1 ZINC000009191821 562968145 /nfs/dbraw/zinc/96/81/45/562968145.db2.gz HBVGIPXJKIBLIR-UHFFFAOYSA-N 0 0 431.514 2.611 50 0 IFAARN CC(=O)c1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000009211602 562968183 /nfs/dbraw/zinc/96/81/83/562968183.db2.gz LTGKINYIWXFKFJ-AWEZNQCLSA-N 0 0 428.510 2.989 50 0 IFAARN COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1OC ZINC000009224678 562968304 /nfs/dbraw/zinc/96/83/04/562968304.db2.gz YZZJQNDGVWZEMI-UHFFFAOYSA-N 0 0 448.526 2.628 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C ZINC000009263756 562968551 /nfs/dbraw/zinc/96/85/51/562968551.db2.gz QRIOQCYKMNASDV-LSDHHAIUSA-N 0 0 431.562 2.792 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C ZINC000009263753 562968611 /nfs/dbraw/zinc/96/86/11/562968611.db2.gz QRIOQCYKMNASDV-CABCVRRESA-N 0 0 431.562 2.792 50 0 IFAARN COc1cccc(C(=O)c2cn(CC(=O)NCc3ccco3)c3nc(C)ccc3c2=O)c1 ZINC000009268237 562968624 /nfs/dbraw/zinc/96/86/24/562968624.db2.gz YQKUYRJUNJMGBX-UHFFFAOYSA-N 0 0 431.448 2.854 50 0 IFAARN O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000009266232 562968695 /nfs/dbraw/zinc/96/86/95/562968695.db2.gz ILDJVPHPYWADNM-UHFFFAOYSA-N 0 0 441.553 2.679 50 0 IFAARN CC1CCN(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 ZINC000009284733 562968926 /nfs/dbraw/zinc/96/89/26/562968926.db2.gz BSPBNLOCFAWBQN-UHFFFAOYSA-N 0 0 430.526 2.927 50 0 IFAARN COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000009396928 562969937 /nfs/dbraw/zinc/96/99/37/562969937.db2.gz WQUPILQYNYMVMH-HNNXBMFYSA-N 0 0 445.541 2.560 50 0 IFAARN CCCCn1c(=O)c2ccc(C(=O)OC)cc2nc1S[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000009398027 562969986 /nfs/dbraw/zinc/96/99/86/562969986.db2.gz GZTUGYIMFUKECH-ZBFHGGJFSA-N 0 0 447.557 2.759 50 0 IFAARN COc1ccc(CNC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCCCC3)CC2)cc1 ZINC000009407319 562970200 /nfs/dbraw/zinc/97/02/00/562970200.db2.gz JCXSVTIYYNMTLD-UHFFFAOYSA-N 0 0 439.556 2.816 50 0 IFAARN COc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000009424295 562970419 /nfs/dbraw/zinc/97/04/19/562970419.db2.gz PKPRAHZIOCHMMY-LJQANCHMSA-N 0 0 447.553 2.915 50 0 IFAARN CN1C(=O)N(C)C(=O)C2(Cc3cc(NC(=O)c4ccccc4)ccc3N3CCC[C@H]32)C1=O ZINC000009434003 562970992 /nfs/dbraw/zinc/97/09/92/562970992.db2.gz MQQKZEMUHBMNKB-IBGZPJMESA-N 0 0 432.480 2.501 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000009443069 562971195 /nfs/dbraw/zinc/97/11/95/562971195.db2.gz XCDOROPRRLZBGK-UHFFFAOYSA-N 0 0 440.525 2.669 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccco1 ZINC000009447164 562971300 /nfs/dbraw/zinc/97/13/00/562971300.db2.gz OJUNXWCXLGPULU-NDONDOTQSA-N 0 0 427.526 2.697 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000009492830 562972120 /nfs/dbraw/zinc/97/21/20/562972120.db2.gz ZSVSCTIYZTYQBP-UHFFFAOYSA-N 0 0 440.525 2.518 50 0 IFAARN CC(C)(Cc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000009519420 562972886 /nfs/dbraw/zinc/97/28/86/562972886.db2.gz QWBPNZKTEGVGJK-UHFFFAOYSA-N 0 0 447.535 2.820 50 0 IFAARN COc1cccc(NC(=O)COC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)c1 ZINC000009530166 562973048 /nfs/dbraw/zinc/97/30/48/562973048.db2.gz JHKMYNOYRPCPCA-UHFFFAOYSA-N 0 0 431.470 2.560 50 0 IFAARN CCOc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009586966 562973620 /nfs/dbraw/zinc/97/36/20/562973620.db2.gz CQSJXCHLOIIBED-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3)c2=O)c(OC)c1 ZINC000009598630 562973747 /nfs/dbraw/zinc/97/37/47/562973747.db2.gz ZWUDBFRVEMDZTA-UHFFFAOYSA-N 0 0 437.477 2.870 50 0 IFAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009633427 562974552 /nfs/dbraw/zinc/97/45/52/562974552.db2.gz XMZNNMZQQHZVPW-UHFFFAOYSA-N 0 0 448.501 2.617 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(OC)c3)o2)cc1 ZINC000009673823 562975315 /nfs/dbraw/zinc/97/53/15/562975315.db2.gz GIZMTPPWAPISJS-UHFFFAOYSA-N 0 0 428.470 2.748 50 0 IFAARN O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)N2CCCCCC2)o1 ZINC000009673875 562975335 /nfs/dbraw/zinc/97/53/35/562975335.db2.gz ZTLMBPVTPWIPPV-UHFFFAOYSA-N 0 0 438.937 2.913 50 0 IFAARN CCc1ccc(Nc2nnc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000009713769 562975786 /nfs/dbraw/zinc/97/57/86/562975786.db2.gz TUHMJSYRNLBNLB-AWEZNQCLSA-N 0 0 426.589 2.582 50 0 IFAARN CCn1cc(C(=O)NCc2ccc(C)cc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009725559 562976092 /nfs/dbraw/zinc/97/60/92/562976092.db2.gz OXIVNEQDJAGYRU-UHFFFAOYSA-N 0 0 427.526 2.510 50 0 IFAARN COc1ccc(C)cc1NC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000009775732 562976778 /nfs/dbraw/zinc/97/67/78/562976778.db2.gz NLKPHPYKOSHWJF-UHFFFAOYSA-N 0 0 442.541 2.927 50 0 IFAARN Cc1ccnn1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000009783729 562976844 /nfs/dbraw/zinc/97/68/44/562976844.db2.gz SYQVUXSGCNGAQX-UHFFFAOYSA-N 0 0 442.516 2.857 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](c1ccccc1)N1CCCCC1 ZINC000009814244 562977147 /nfs/dbraw/zinc/97/71/47/562977147.db2.gz IWEGLPXBHQWOOO-JOCHJYFZSA-N 0 0 443.569 2.873 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000009821317 562977258 /nfs/dbraw/zinc/97/72/58/562977258.db2.gz KEOHVESZUCMSBL-GFCCVEGCSA-N 0 0 441.285 2.923 50 0 IFAARN Cc1ccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000009960702 562977969 /nfs/dbraw/zinc/97/79/69/562977969.db2.gz VMQUMPURPFYUOG-UHFFFAOYSA-N 0 0 429.542 2.555 50 0 IFAARN CN(C[C@H]1COCCO1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 ZINC000011965196 562979961 /nfs/dbraw/zinc/97/99/61/562979961.db2.gz NPEUQMOVNMVUFK-IBGZPJMESA-N 0 0 445.523 2.793 50 0 IFAARN COc1cccc(CC2(CO)CCN(S(=O)(=O)c3ccc(OC)cc3OC)CC2)c1 ZINC000012507433 562982560 /nfs/dbraw/zinc/98/25/60/562982560.db2.gz OJFSSMOJBDJECK-UHFFFAOYSA-N 0 0 435.542 2.718 50 0 IFAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000012882856 562983379 /nfs/dbraw/zinc/98/33/79/562983379.db2.gz FGWIRGNEJNSCEJ-RDTXWAMCSA-N 0 0 429.464 2.946 50 0 IFAARN COc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000012985318 562983766 /nfs/dbraw/zinc/98/37/66/562983766.db2.gz FNZYWRTXOOCAHH-KRWDZBQOSA-N 0 0 448.566 2.683 50 0 IFAARN CCn1c(SCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)nnc1-c1ccco1 ZINC000013004012 562983890 /nfs/dbraw/zinc/98/38/90/562983890.db2.gz XVTVPCAPZSSGJJ-UHFFFAOYSA-N 0 0 429.502 2.756 50 0 IFAARN COc1cccc(NC(=O)CN(C)C(=O)CCNC(=O)c2ccc(Br)cc2)c1 ZINC000013004508 562983916 /nfs/dbraw/zinc/98/39/16/562983916.db2.gz OAEKMDVMYUAMCZ-UHFFFAOYSA-N 0 0 448.317 2.675 50 0 IFAARN CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000013130877 562984945 /nfs/dbraw/zinc/98/49/45/562984945.db2.gz ORJDSGHJPLMMAS-AWEZNQCLSA-N 0 0 428.367 2.698 50 0 IFAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000013147848 562985379 /nfs/dbraw/zinc/98/53/79/562985379.db2.gz DCPLESQXFDYVPX-UHFFFAOYSA-N 0 0 446.525 2.708 50 0 IFAARN COc1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000015385373 563017849 /nfs/dbraw/zinc/01/78/49/563017849.db2.gz VXGIIYHGYMCIHA-UHFFFAOYSA-N 0 0 436.505 2.526 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)c(C)c1 ZINC000015680577 563018012 /nfs/dbraw/zinc/01/80/12/563018012.db2.gz DNVROYZPOCMFIZ-UHFFFAOYSA-N 0 0 430.555 2.902 50 0 IFAARN COC(=O)C1CCN(Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn32)CC1 ZINC000015934859 563018512 /nfs/dbraw/zinc/01/85/12/563018512.db2.gz UJXZYJKULYVDQP-GASCZTMLSA-N 0 0 448.951 2.622 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCc3ccc(Cl)cc3)cc2C[C@@H]1C ZINC000015935536 563018587 /nfs/dbraw/zinc/01/85/87/563018587.db2.gz AEBJXNQLSDBDBH-AWEZNQCLSA-N 0 0 449.960 2.622 50 0 IFAARN O=c1ccc(-c2ccc(S(=O)(=O)NCc3cccc(Br)c3)s2)n[nH]1 ZINC000015942653 563019769 /nfs/dbraw/zinc/01/97/69/563019769.db2.gz GWNYFKPXWIQKJQ-UHFFFAOYSA-N 0 0 426.317 2.739 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)c1 ZINC000015944012 563020152 /nfs/dbraw/zinc/02/01/52/563020152.db2.gz MXJJHWYSFRBMLX-OAHLLOKOSA-N 0 0 448.526 2.500 50 0 IFAARN CCOc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000015962896 563020583 /nfs/dbraw/zinc/02/05/83/563020583.db2.gz VDOPUJDCRQXFBT-UHFFFAOYSA-N 0 0 435.521 2.560 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 ZINC000017170263 563021493 /nfs/dbraw/zinc/02/14/93/563021493.db2.gz URVJOEXIVBSNNL-UHFFFAOYSA-N 0 0 430.526 2.580 50 0 IFAARN O=C(CN1CCN(Cc2ccccc2)CC1)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000020035115 563023384 /nfs/dbraw/zinc/02/33/84/563023384.db2.gz STJDQUHURWGTBV-UHFFFAOYSA-N 0 0 433.508 2.596 50 0 IFAARN NC(=O)CCN1CCN(C(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)CC1 ZINC000020992896 563025154 /nfs/dbraw/zinc/02/51/54/563025154.db2.gz HGARMFCVRVDVNB-UHFFFAOYSA-N 0 0 426.904 2.705 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)OC ZINC000025691970 563027521 /nfs/dbraw/zinc/02/75/21/563027521.db2.gz YAMQCWSSFXUFGP-NDXORKPFSA-N 0 0 442.512 2.934 50 0 IFAARN CCN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C(F)(F)F)c1 ZINC000027534655 563043336 /nfs/dbraw/zinc/04/33/36/563043336.db2.gz FTYPNPABNLIVRX-UHFFFAOYSA-N 0 0 446.429 2.975 50 0 IFAARN CCOc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1OCC ZINC000028420578 563054699 /nfs/dbraw/zinc/05/46/99/563054699.db2.gz DGGUBFFSESVDDX-MRXNPFEDSA-N 0 0 443.500 2.523 50 0 IFAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)CC1 ZINC000036383827 563094305 /nfs/dbraw/zinc/09/43/05/563094305.db2.gz BEEMRKUWENENAP-UHFFFAOYSA-N 0 0 442.566 2.999 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3cnn(Cc4ccccc4)c3)CC2)c1C ZINC000036386990 563094547 /nfs/dbraw/zinc/09/45/47/563094547.db2.gz YEFOOOPFIDHWFP-UHFFFAOYSA-N 0 0 431.540 2.945 50 0 IFAARN O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC1CCCCC1 ZINC000056945437 563142796 /nfs/dbraw/zinc/14/27/96/563142796.db2.gz PNSKPADQZFZWGJ-NRFANRHFSA-N 0 0 442.535 2.847 50 0 IFAARN Cc1ccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)cc1 ZINC000019939359 568613327 /nfs/dbraw/zinc/61/33/27/568613327.db2.gz IKHBFGPCHZKKAR-UHFFFAOYSA-N 0 0 430.512 2.526 50 0 IFAARN CC(C)N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012030471 568624948 /nfs/dbraw/zinc/62/49/48/568624948.db2.gz ZZIRJPFYASIRMP-FQEVSTJZSA-N 0 0 435.567 2.698 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)NCc1ccccc1Cl ZINC000019077862 568638138 /nfs/dbraw/zinc/63/81/38/568638138.db2.gz KJXMYPQVNLIMFH-MRXNPFEDSA-N 0 0 438.962 2.964 50 0 IFAARN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2cccc3nsnc32)C1=O ZINC000019078445 568638472 /nfs/dbraw/zinc/63/84/72/568638472.db2.gz SEHIXZROUCJOGN-IBGZPJMESA-N 0 0 447.423 2.698 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(c3c(-c4ccccc4)cnc4ncnn43)CC2)cc1 ZINC000025143985 568640716 /nfs/dbraw/zinc/64/07/16/568640716.db2.gz UCGKAOSFKZDXPB-UHFFFAOYSA-N 0 0 434.525 2.611 50 0 IFAARN COc1cc(OC)cc([C@H](NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)c2nccn2C)c1 ZINC000025160649 568645444 /nfs/dbraw/zinc/64/54/44/568645444.db2.gz DYCCXPYWSFRCPW-VLIAUNLRSA-N 0 0 436.468 2.812 50 0 IFAARN Cc1nn2c(nc1=O)sc(C(=O)Nc1ccc(F)cc1)c2C(=O)NCc1ccccc1 ZINC000000957742 568645991 /nfs/dbraw/zinc/64/59/91/568645991.db2.gz QIEROKOEBSDALR-UHFFFAOYSA-N 0 0 437.456 2.781 50 0 IFAARN Cc1c(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000025315103 568653183 /nfs/dbraw/zinc/65/31/83/568653183.db2.gz BRZGVZHRGDVWAL-UHFFFAOYSA-N 0 0 446.554 2.583 50 0 IFAARN O=C(CN1CCOCC1)Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000025368724 568653881 /nfs/dbraw/zinc/65/38/81/568653881.db2.gz IBFZGECZARJJJB-UHFFFAOYSA-N 0 0 443.447 2.777 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000025413168 568656783 /nfs/dbraw/zinc/65/67/83/568656783.db2.gz AIQCLBAMLXOMSL-PBHICJAKSA-N 0 0 448.416 2.995 50 0 IFAARN CC(=O)O[C@H]1O[C@]23CC[C@@]4(O)C[C@@H](O)CC[C@]14[C@@H]2CC[C@@]1(C)[C@H](C2=CC(=O)OC2)CC[C@@H]13 ZINC000257349865 568731294 /nfs/dbraw/zinc/73/12/94/568731294.db2.gz RXXZRNNOAJTUSW-UJJXKLMESA-N 0 0 446.540 2.626 50 0 IFAARN CCn1c(CCC(=O)Nc2cccc3c[nH]nc32)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000025585188 568736646 /nfs/dbraw/zinc/73/66/46/568736646.db2.gz GOAWFKIOHQBBDZ-UHFFFAOYSA-N 0 0 440.529 2.754 50 0 IFAARN COc1cccc(CNC(=O)C(=O)NCC2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 ZINC000043942477 568743923 /nfs/dbraw/zinc/74/39/23/568743923.db2.gz FFWHLBNWPIPHBB-UHFFFAOYSA-N 0 0 449.507 2.726 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 ZINC000003279225 568744811 /nfs/dbraw/zinc/74/48/11/568744811.db2.gz GCMBYIHHAIRNCK-UHFFFAOYSA-N 0 0 430.482 2.661 50 0 IFAARN Cc1nnsc1C(=O)N1CCC(CNC(=O)C2(c3ccccc3)CCOCC2)CC1 ZINC000043986990 568745170 /nfs/dbraw/zinc/74/51/70/568745170.db2.gz UCGDGIKLRSGSJA-UHFFFAOYSA-N 0 0 428.558 2.563 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003296100 568745336 /nfs/dbraw/zinc/74/53/36/568745336.db2.gz DQHCVHZAHMHTHP-UHFFFAOYSA-N 0 0 442.493 2.537 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCc2ccccc21 ZINC000003316892 568745875 /nfs/dbraw/zinc/74/58/75/568745875.db2.gz WHRSAPTZPXCTEM-UHFFFAOYSA-N 0 0 442.537 2.997 50 0 IFAARN CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1)c1cccc2ccccc21 ZINC000003318200 568746045 /nfs/dbraw/zinc/74/60/45/568746045.db2.gz NJXDBNMMQQUCAC-UHFFFAOYSA-N 0 0 426.494 2.958 50 0 IFAARN CCc1nc(-c2ccc(N3CCN(C(=O)C(=O)c4c[nH]c5ccccc45)CC3)nc2)no1 ZINC000044094677 568748117 /nfs/dbraw/zinc/74/81/17/568748117.db2.gz GERJAJTXNGUMAJ-UHFFFAOYSA-N 0 0 430.468 2.707 50 0 IFAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)NCc1ccccc1Cl)C2=O ZINC000003382072 568748281 /nfs/dbraw/zinc/74/82/81/568748281.db2.gz QNHRQFZMDRNJFH-FPTDNZKUSA-N 0 0 449.935 2.636 50 0 IFAARN CC(C)c1nnc(C2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)o1 ZINC000044098537 568748350 /nfs/dbraw/zinc/74/83/50/568748350.db2.gz VTBSDKOCCBDONQ-AWEZNQCLSA-N 0 0 429.546 2.682 50 0 IFAARN CCOc1cccc(-c2noc(Cn3c4ccccc4c(=O)n(CCCOC)c3=O)n2)c1 ZINC000044167445 568749409 /nfs/dbraw/zinc/74/94/09/568749409.db2.gz CRMRXYPTXLXFPH-UHFFFAOYSA-N 0 0 436.468 2.697 50 0 IFAARN Cc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCc3ccccc32)c(Cl)cc1Cl ZINC000044226549 568749950 /nfs/dbraw/zinc/74/99/50/568749950.db2.gz SVSKWXUHEJICHO-UHFFFAOYSA-N 0 0 449.381 2.973 50 0 IFAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c2C)no1 ZINC000003480267 568749998 /nfs/dbraw/zinc/74/99/98/568749998.db2.gz JLZJUWMKXZFVLH-HNNXBMFYSA-N 0 0 435.436 2.801 50 0 IFAARN Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccccc3n2)cc1 ZINC000003531023 568750538 /nfs/dbraw/zinc/75/05/38/568750538.db2.gz LRMXWNYQDOCHND-QGZVFWFLSA-N 0 0 438.505 2.670 50 0 IFAARN COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)cc1Cl ZINC000003528989 568750545 /nfs/dbraw/zinc/75/05/45/568750545.db2.gz KLKQFZOBTALQAQ-UHFFFAOYSA-N 0 0 427.844 2.800 50 0 IFAARN COc1ccc(C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000334158658 568751119 /nfs/dbraw/zinc/75/11/19/568751119.db2.gz ZRSJBLRRPXTWBW-KRWDZBQOSA-N 0 0 441.509 2.601 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nnc3ccccc3c1=O)C[C@H](C)CC2 ZINC000003617807 568751531 /nfs/dbraw/zinc/75/15/31/568751531.db2.gz UNDHRNRKVKQUNQ-GFCCVEGCSA-N 0 0 426.498 2.793 50 0 IFAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(OC(C)=O)cc3)N2C1=O ZINC000003636777 568752286 /nfs/dbraw/zinc/75/22/86/568752286.db2.gz NQOHBBOMKJQTJR-WMZOPIPTSA-N 0 0 432.498 2.840 50 0 IFAARN COCc1c(C(=O)NCC2(C)COC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000299756201 568755328 /nfs/dbraw/zinc/75/53/28/568755328.db2.gz DMSALQDUTYVHCF-UHFFFAOYSA-N 0 0 433.512 2.731 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)C1CCN(C(=O)C2CC2)CC1 ZINC000015315434 568755349 /nfs/dbraw/zinc/75/53/49/568755349.db2.gz STHJXQQGQJZQNU-UHFFFAOYSA-N 0 0 433.574 2.838 50 0 IFAARN Cc1cc(CN(C)C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)[nH]n1 ZINC000299761302 568755662 /nfs/dbraw/zinc/75/56/62/568755662.db2.gz UZZLQFXOSXNZMW-RUZDIDTESA-N 0 0 445.523 2.667 50 0 IFAARN CN(Cc1nccn1C)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O ZINC000299764228 568756149 /nfs/dbraw/zinc/75/61/49/568756149.db2.gz QVHDYGPVLMHUDN-OAQYLSRUSA-N 0 0 448.445 2.647 50 0 IFAARN Cc1nonc1CN(C)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O ZINC000299770147 568756652 /nfs/dbraw/zinc/75/66/52/568756652.db2.gz ZKAZNUTXJNWRJZ-QHCPKHFHSA-N 0 0 442.491 2.895 50 0 IFAARN COc1ccccc1[C@]1(CC(=O)N2CCC[C@@H](OC)C2)CC(=O)N(C2CCCC2)C1=O ZINC000299774861 568756776 /nfs/dbraw/zinc/75/67/76/568756776.db2.gz JJQNKLJWJFZUPX-KOSHJBKYSA-N 0 0 428.529 2.662 50 0 IFAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)N4CCCN(C(C)=O)CC4)C3)nc(C)c2c1 ZINC000299784247 568757334 /nfs/dbraw/zinc/75/73/34/568757334.db2.gz HMAKAFPATWOYMX-IBGZPJMESA-N 0 0 439.560 2.634 50 0 IFAARN COCCCN1C(=O)C[C@@](CC(=O)N[C@H](C)c2nccs2)(c2ccccc2C)C1=O ZINC000299794445 568757683 /nfs/dbraw/zinc/75/76/83/568757683.db2.gz KQRAMXMFCYDLTQ-ZHRRBRCNSA-N 0 0 429.542 2.752 50 0 IFAARN COCCCN1C(=O)C[C@](CC(=O)N[C@@H](C)c2nccs2)(c2ccccc2C)C1=O ZINC000299794424 568757770 /nfs/dbraw/zinc/75/77/70/568757770.db2.gz KQRAMXMFCYDLTQ-KSFYIVLOSA-N 0 0 429.542 2.752 50 0 IFAARN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000004134271 568758513 /nfs/dbraw/zinc/75/85/13/568758513.db2.gz FLLSHKJEILEWQZ-SJLPKXTDSA-N 0 0 440.525 2.817 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H](Cc1ccccc1)n1cccc1)[C@H](C(N)=O)C2 ZINC000263586053 568759270 /nfs/dbraw/zinc/75/92/70/568759270.db2.gz PFOZNEFRNOVDLO-LEWJYISDSA-N 0 0 433.508 2.728 50 0 IFAARN COC(=O)c1cn(CCSCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc2c(=O)[nH]nc1-2 ZINC000263587052 568760209 /nfs/dbraw/zinc/76/02/09/568760209.db2.gz BLUJUKWADVTFAX-UHFFFAOYSA-N 0 0 445.526 2.723 50 0 IFAARN O=C([C@@H](Cc1ccccc1)n1cccc1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000263587239 568760423 /nfs/dbraw/zinc/76/04/23/568760423.db2.gz DUMUSKBDAVFROW-JOCHJYFZSA-N 0 0 444.601 2.537 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(c3cccc(Cl)c3)CC2)NC(=O)N[C@H]1c1ccco1 ZINC000015378599 568761230 /nfs/dbraw/zinc/76/12/30/568761230.db2.gz OFWQOPLCHMMYTP-FQEVSTJZSA-N 0 0 444.919 2.926 50 0 IFAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)s1 ZINC000015386383 568761430 /nfs/dbraw/zinc/76/14/30/568761430.db2.gz HSACRYIVRCFCHG-UHFFFAOYSA-N 0 0 429.361 2.966 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3c(nc4ccccn4c3=O)s2)c1 ZINC000015441482 568762328 /nfs/dbraw/zinc/76/23/28/568762328.db2.gz MXYHLBONNITPLJ-UHFFFAOYSA-N 0 0 437.433 2.735 50 0 IFAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3CO2)cc1 ZINC000263615314 568775922 /nfs/dbraw/zinc/77/59/22/568775922.db2.gz BSTIMGNYFQRKJJ-OAQYLSRUSA-N 0 0 437.475 2.660 50 0 IFAARN Cc1cccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccccc5)no4)c3C2=O)c1C ZINC000263615668 568776228 /nfs/dbraw/zinc/77/62/28/568776228.db2.gz DOKOHTFHRZGRHD-UHFFFAOYSA-N 0 0 443.467 2.706 50 0 IFAARN O=C(NC1CCCC1)NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2F)C3)CC1 ZINC000263616582 568776678 /nfs/dbraw/zinc/77/66/78/568776678.db2.gz JMZGXERHHIRJHL-QFIPXVFZSA-N 0 0 442.539 2.895 50 0 IFAARN COc1ccc(-c2nn3ccn(Cc4nc(-c5ccsc5)no4)c(=O)c3c2CO)cc1 ZINC000263616577 568776720 /nfs/dbraw/zinc/77/67/20/568776720.db2.gz JMQBZBBJOKRWCG-UHFFFAOYSA-N 0 0 435.465 2.824 50 0 IFAARN O=C(c1cncc(Br)c1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000263616576 568776794 /nfs/dbraw/zinc/77/67/94/568776794.db2.gz JMALYQGMJQXIQM-UHFFFAOYSA-N 0 0 428.290 2.738 50 0 IFAARN CC(C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 ZINC000263617254 568777090 /nfs/dbraw/zinc/77/70/90/568777090.db2.gz MXZJOEMZRNRLPY-SFHVURJKSA-N 0 0 431.924 2.580 50 0 IFAARN Cc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)c(C)c1 ZINC000263617233 568777100 /nfs/dbraw/zinc/77/71/00/568777100.db2.gz MVJIYZZHYNJZOQ-UHFFFAOYSA-N 0 0 449.496 2.768 50 0 IFAARN O=C(c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCN(c2ccc(F)cc2)CC1 ZINC000263618696 568777600 /nfs/dbraw/zinc/77/76/00/568777600.db2.gz VABOMZGUXIDRGK-HXUWFJFHSA-N 0 0 425.439 2.790 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCn2nnc(-c3nc(-c4ccccc4)no3)c2C1=O ZINC000263619166 568777822 /nfs/dbraw/zinc/77/78/22/568777822.db2.gz XHHHWHDFENCULY-UHFFFAOYSA-N 0 0 443.467 2.706 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)Cn1ccn2nc(-c3cccc(F)c3)c(CO)c2c1=O ZINC000263619396 568777896 /nfs/dbraw/zinc/77/78/96/568777896.db2.gz YNPSNKDCOKDQBT-QGZVFWFLSA-N 0 0 448.498 2.932 50 0 IFAARN O=C(NCC1CC1)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 ZINC000263619101 568777906 /nfs/dbraw/zinc/77/79/06/568777906.db2.gz WXILUKYLGQZLHV-LJQANCHMSA-N 0 0 443.935 2.581 50 0 IFAARN CCc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)cc1 ZINC000263618312 568778199 /nfs/dbraw/zinc/77/81/99/568778199.db2.gz SFAPCANEOZOBKF-UHFFFAOYSA-N 0 0 449.496 2.714 50 0 IFAARN CCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC(F)F ZINC000004148395 568782099 /nfs/dbraw/zinc/78/20/99/568782099.db2.gz NIHNMBYKQMMPLV-GFCCVEGCSA-N 0 0 430.209 2.889 50 0 IFAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 ZINC000248381516 568782595 /nfs/dbraw/zinc/78/25/95/568782595.db2.gz UCASHEFULBEDKL-NCXUSEDFSA-N 0 0 438.281 2.917 50 0 IFAARN CN(C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000083855554 568783459 /nfs/dbraw/zinc/78/34/59/568783459.db2.gz JLCGXPJZLGJICT-SJORKVTESA-N 0 0 449.495 2.971 50 0 IFAARN CN(CCCC(=O)N(C[C@H](O)c1ccccc1)C1CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000083859406 568783836 /nfs/dbraw/zinc/78/38/36/568783836.db2.gz VSTVBAKGFQKNPV-NRFANRHFSA-N 0 0 434.533 2.951 50 0 IFAARN CNC(=O)c1cc(Br)ccc1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000083881878 568784255 /nfs/dbraw/zinc/78/42/55/568784255.db2.gz VLEXITGCBWGJSB-UHFFFAOYSA-N 0 0 445.317 2.752 50 0 IFAARN Cc1ccc(S(=O)(=O)c2cnc3cc(-c4cnn(C)c4C(F)(F)F)nn3c2N)cc1 ZINC000001399453 568785972 /nfs/dbraw/zinc/78/59/72/568785972.db2.gz ZHTCVPJBLVOICH-UHFFFAOYSA-N 0 0 436.419 2.872 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC[C@H](OCc3ccccn3)C2)cc1Br ZINC000083952958 568786812 /nfs/dbraw/zinc/78/68/12/568786812.db2.gz CCJQCOMPSQQCSD-AWEZNQCLSA-N 0 0 427.320 2.833 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(NC(=O)C3CC3)cc2)s1 ZINC000025887844 568787053 /nfs/dbraw/zinc/78/70/53/568787053.db2.gz HIRXQJHVXCHTNS-SFHVURJKSA-N 0 0 447.582 2.875 50 0 IFAARN O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000015488697 568791963 /nfs/dbraw/zinc/79/19/63/568791963.db2.gz IIEATAGHCOOPED-UHFFFAOYSA-N 0 0 444.887 2.991 50 0 IFAARN Cc1cc(C)n(CC(=O)NC2CC[NH+](CCOc3ccc(Br)cc3)CC2)n1 ZINC000084102161 568792784 /nfs/dbraw/zinc/79/27/84/568792784.db2.gz IPFYTYNNACWXSA-UHFFFAOYSA-N 0 0 435.366 2.922 50 0 IFAARN CC(C)(C)OC(=O)NC1CCN(CC(=O)NCCNc2ncccc2C(F)(F)F)CC1 ZINC000084240456 568796224 /nfs/dbraw/zinc/79/62/24/568796224.db2.gz KCKJJDVKQSUBJB-UHFFFAOYSA-N 0 0 445.486 2.618 50 0 IFAARN O=C(Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000084374359 568797629 /nfs/dbraw/zinc/79/76/29/568797629.db2.gz CLHCJZAENDDGNJ-CQSZACIVSA-N 0 0 427.309 2.902 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCOc1cccc2cccnc21 ZINC000084493979 568798246 /nfs/dbraw/zinc/79/82/46/568798246.db2.gz BJDRVOABZLCOHX-MDKPJZGXSA-N 0 0 428.558 2.846 50 0 IFAARN C[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccc2c(c1)OCCCO2 ZINC000084651784 568799520 /nfs/dbraw/zinc/79/95/20/568799520.db2.gz DOFFQGAICLEGPT-ZDUSSCGKSA-N 0 0 425.528 2.828 50 0 IFAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(Br)c(OC(C)=O)c(OC)c1 ZINC000001436772 568800408 /nfs/dbraw/zinc/80/04/08/568800408.db2.gz AGQRJLDAZBIEQC-CQSZACIVSA-N 0 0 443.319 2.739 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccc(OC)c4)nc(C)n3n2)cc1 ZINC000015672114 568803221 /nfs/dbraw/zinc/80/32/21/568803221.db2.gz MXLYFCQHNJQVRD-UHFFFAOYSA-N 0 0 431.496 2.754 50 0 IFAARN CN1C(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)=CC(c2cccs2)=NS1(=O)=O ZINC000015673707 568803510 /nfs/dbraw/zinc/80/35/10/568803510.db2.gz RZYPMVYMDRJPCR-UHFFFAOYSA-N 0 0 445.501 2.634 50 0 IFAARN C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)NCc1ccc(F)cc1 ZINC000015726706 568812452 /nfs/dbraw/zinc/81/24/52/568812452.db2.gz QHMSMAWZCKAYED-CHWSQXEVSA-N 0 0 436.530 2.985 50 0 IFAARN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000015727721 568812601 /nfs/dbraw/zinc/81/26/01/568812601.db2.gz IGGVRLJSTQZTNH-UHFFFAOYSA-N 0 0 441.919 2.984 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)c1 ZINC000012809148 568813639 /nfs/dbraw/zinc/81/36/39/568813639.db2.gz FRHWTTNTWIQNCC-UHFFFAOYSA-N 0 0 446.920 2.831 50 0 IFAARN COc1ccccc1NC(=O)CCc1c(C)nn(-c2ccc(N3CCOCC3)nn2)c1C ZINC000015734466 568816337 /nfs/dbraw/zinc/81/63/37/568816337.db2.gz HOCAMBNHDGBKBG-UHFFFAOYSA-N 0 0 436.516 2.696 50 0 IFAARN COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(OC)c2c(c1OC)OCO2 ZINC000085413070 568817846 /nfs/dbraw/zinc/81/78/46/568817846.db2.gz KOGGJXCOXPDSQM-KUHUBIRLSA-N 0 0 426.377 2.605 50 0 IFAARN CCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 ZINC000001451328 568818603 /nfs/dbraw/zinc/81/86/03/568818603.db2.gz GMHKUHMVYHCCRE-WQRHYEAKSA-N 0 0 425.897 2.702 50 0 IFAARN C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)[C@H](C)CN1C(=O)c1ccc2c(c1)OCCO2 ZINC000001459094 568819336 /nfs/dbraw/zinc/81/93/36/568819336.db2.gz ZMXWDHVUZDHASS-HZPDHXFCSA-N 0 0 438.480 2.604 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NCCc1ccccc1 ZINC000015768684 568822137 /nfs/dbraw/zinc/82/21/37/568822137.db2.gz TWMFYZBOYZGRQP-UHFFFAOYSA-N 0 0 426.538 2.508 50 0 IFAARN Cc1cccc(N2CCN(C(=O)Cn3ncn4nc(-c5ccccc5)cc4c3=O)C[C@H]2C)c1 ZINC000015772566 568822824 /nfs/dbraw/zinc/82/28/24/568822824.db2.gz JYWXBWBOWZVZEJ-LJQANCHMSA-N 0 0 442.523 2.604 50 0 IFAARN CCOCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O ZINC000006089657 568823260 /nfs/dbraw/zinc/82/32/60/568823260.db2.gz KKIREBLFSAPIAA-ZDUSSCGKSA-N 0 0 431.924 2.683 50 0 IFAARN COCCn1c(CN(C)C(=O)Nc2cc(OC)ccc2OC)nc2ccccc2c1=O ZINC000015775174 568823303 /nfs/dbraw/zinc/82/33/03/568823303.db2.gz DNSQBDBUHGDZRQ-UHFFFAOYSA-N 0 0 426.473 2.724 50 0 IFAARN CCc1ccc(NC(=O)[C@H]2Cc3cc(S(=O)(=O)N4CCCC4)ccc3N2C(C)=O)cc1 ZINC000015775514 568823407 /nfs/dbraw/zinc/82/34/07/568823407.db2.gz VWNHULBCFVUBES-JOCHJYFZSA-N 0 0 441.553 2.950 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NC1CCCCC1 ZINC000015775681 568823411 /nfs/dbraw/zinc/82/34/11/568823411.db2.gz KZYUUTZOSCQZSS-NRFANRHFSA-N 0 0 433.574 2.588 50 0 IFAARN COc1ccccc1C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)c(C)c1 ZINC000015780637 568825213 /nfs/dbraw/zinc/82/52/13/568825213.db2.gz OTGUOMSJGAZFQS-UHFFFAOYSA-N 0 0 448.516 2.796 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(F)c2)CC3)ccc1F ZINC000015780617 568825225 /nfs/dbraw/zinc/82/52/25/568825225.db2.gz OSUXFGDOIGVNAR-UHFFFAOYSA-N 0 0 436.480 2.927 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2F)CC3)ccc1F ZINC000015780613 568825310 /nfs/dbraw/zinc/82/53/10/568825310.db2.gz ZOGBYXBLCKMFLI-UHFFFAOYSA-N 0 0 436.480 2.927 50 0 IFAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)Nc1ccccc1 ZINC000015783020 568826590 /nfs/dbraw/zinc/82/65/90/568826590.db2.gz YYELNIBQRQTTFL-UHFFFAOYSA-N 0 0 431.539 2.549 50 0 IFAARN Cc1nnc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c[nH]2)o1 ZINC000085621656 568828465 /nfs/dbraw/zinc/82/84/65/568828465.db2.gz ALVYQBWANFIAEA-UHFFFAOYSA-N 0 0 441.435 2.903 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)S1 ZINC000006116638 568828736 /nfs/dbraw/zinc/82/87/36/568828736.db2.gz UUOPTRIAEYJCAT-FQEVSTJZSA-N 0 0 446.554 2.971 50 0 IFAARN O=C(NC1CC1)c1sccc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000085643761 568829113 /nfs/dbraw/zinc/82/91/13/568829113.db2.gz CZPYJTBSIKEQIC-UHFFFAOYSA-N 0 0 425.963 2.805 50 0 IFAARN CC(=O)Nc1ccc(C(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1 ZINC000085653972 568832606 /nfs/dbraw/zinc/83/26/06/568832606.db2.gz VNAYKSNPANHYQR-UHFFFAOYSA-N 0 0 431.496 2.543 50 0 IFAARN CN(C)c1cccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC000085654645 568832977 /nfs/dbraw/zinc/83/29/77/568832977.db2.gz UYYZYRXTIILVLS-UHFFFAOYSA-N 0 0 437.931 2.914 50 0 IFAARN COc1cccc(CC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)c1 ZINC000085654551 568832988 /nfs/dbraw/zinc/83/29/88/568832988.db2.gz KQQNTEUENJEJKW-UHFFFAOYSA-N 0 0 432.524 2.749 50 0 IFAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000085654358 568833462 /nfs/dbraw/zinc/83/34/62/568833462.db2.gz RSDZMLOZICYKRC-UHFFFAOYSA-N 0 0 444.944 2.705 50 0 IFAARN Cc1cccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)c1 ZINC000085654278 568833469 /nfs/dbraw/zinc/83/34/69/568833469.db2.gz SQPGGWYJRWWTQY-UHFFFAOYSA-N 0 0 438.553 2.669 50 0 IFAARN O=C(NCCCN1CCCc2ccccc21)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000015786782 568836304 /nfs/dbraw/zinc/83/63/04/568836304.db2.gz HQQHEEYVOXNPLX-UHFFFAOYSA-N 0 0 440.525 2.616 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000001510436 568836473 /nfs/dbraw/zinc/83/64/73/568836473.db2.gz CPEHHLWQAOZSST-UHFFFAOYSA-N 0 0 442.541 2.767 50 0 IFAARN CCc1nc2cc(OC)c(OC)cc2c(=O)n1CCNC(=O)Cc1c[nH]c2ccccc12 ZINC000085876624 568838357 /nfs/dbraw/zinc/83/83/57/568838357.db2.gz XTVYCFQCAGPHST-UHFFFAOYSA-N 0 0 434.496 2.816 50 0 IFAARN O=C(Nc1cccc(Br)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001516587 568839639 /nfs/dbraw/zinc/83/96/39/568839639.db2.gz QQTKWXQKKUKLFQ-UHFFFAOYSA-N 0 0 425.304 2.722 50 0 IFAARN COc1ccc(CN2C(=O)N(CC(=O)NCCC(C)C)c3ccccc3S2(=O)=O)cc1 ZINC000015826931 568840707 /nfs/dbraw/zinc/84/07/07/568840707.db2.gz WUZDRHBHFGPJAK-UHFFFAOYSA-N 0 0 445.541 2.988 50 0 IFAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1 ZINC000015826170 568840718 /nfs/dbraw/zinc/84/07/18/568840718.db2.gz QTFFEJOYOQRHNK-UHFFFAOYSA-N 0 0 441.509 2.947 50 0 IFAARN CC[C@@H](C)NC(=O)CN1c2ccccc2S(=O)(=O)N(c2cc(OC)cc(OC)c2)C1=O ZINC000015826956 568840849 /nfs/dbraw/zinc/84/08/49/568840849.db2.gz OFCVSTZXJKDHHN-CQSZACIVSA-N 0 0 447.513 2.754 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)c1 ZINC000015858454 568846622 /nfs/dbraw/zinc/84/66/22/568846622.db2.gz PNBJWTADKASCCP-NSHDSACASA-N 0 0 435.889 2.863 50 0 IFAARN CN1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2C1 ZINC000015880147 568853928 /nfs/dbraw/zinc/85/39/28/568853928.db2.gz NZNDGHNTLAIGFU-LLVKDONJSA-N 0 0 447.007 2.638 50 0 IFAARN NC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)NC3CCCCC3)s2)cc1 ZINC000015882703 568857302 /nfs/dbraw/zinc/85/73/02/568857302.db2.gz KAANUEHJXOJPBQ-UHFFFAOYSA-N 0 0 434.547 2.822 50 0 IFAARN Cc1ccc(NC(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000015883659 568857745 /nfs/dbraw/zinc/85/77/45/568857745.db2.gz XMALXLSBEUTHAZ-UHFFFAOYSA-N 0 0 426.542 2.870 50 0 IFAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cccc(F)c1 ZINC000015883564 568857793 /nfs/dbraw/zinc/85/77/93/568857793.db2.gz LGOCSLORUCISQJ-UHFFFAOYSA-N 0 0 430.505 2.845 50 0 IFAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)NCc1ccc(C)cc1 ZINC000015883599 568857799 /nfs/dbraw/zinc/85/77/99/568857799.db2.gz HCJKEVFAKCMQNS-UHFFFAOYSA-N 0 0 440.569 2.692 50 0 IFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)Cc3cccc(C)c3)CC2)cc1 ZINC000015883985 568858351 /nfs/dbraw/zinc/85/83/51/568858351.db2.gz KNIGSJAOHZWMSD-UHFFFAOYSA-N 0 0 427.512 2.719 50 0 IFAARN CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000015925320 568858811 /nfs/dbraw/zinc/85/88/11/568858811.db2.gz NFXYYFHIFKAHDT-UHFFFAOYSA-N 0 0 437.521 2.945 50 0 IFAARN CS(=O)(=O)N1CCc2cc(C(=O)OCC(=O)c3ccc(Br)cc3)ccc21 ZINC000001105336 568858854 /nfs/dbraw/zinc/85/88/54/568858854.db2.gz RQIRMZCXYIWQPF-UHFFFAOYSA-N 0 0 438.299 2.811 50 0 IFAARN O=S(=O)(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(C2CCCCC2)cc1 ZINC000575414373 568860819 /nfs/dbraw/zinc/86/08/19/568860819.db2.gz HYJCKVLDWWFTSV-HXUWFJFHSA-N 0 0 440.631 2.664 50 0 IFAARN CCOc1ccccc1NC(=O)CN1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 ZINC000575414164 568861068 /nfs/dbraw/zinc/86/10/68/568861068.db2.gz BVXQBHRLFCFLHG-UHFFFAOYSA-N 0 0 444.557 2.689 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)cc1 ZINC000016047567 568868998 /nfs/dbraw/zinc/86/89/98/568868998.db2.gz HGSMFGXFEJTWRV-UHFFFAOYSA-N 0 0 430.468 2.796 50 0 IFAARN Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2nnc3ccccn32)c2ccccc21 ZINC000575443993 568869715 /nfs/dbraw/zinc/86/97/15/568869715.db2.gz KPYRQNFQFWLZJN-GOSISDBHSA-N 0 0 448.527 2.973 50 0 IFAARN CC[C@@H](C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 ZINC000012941726 568869979 /nfs/dbraw/zinc/86/99/79/568869979.db2.gz ATLHVUAVXDZXAN-OAHLLOKOSA-N 0 0 446.573 2.677 50 0 IFAARN O=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000016090831 568870243 /nfs/dbraw/zinc/87/02/43/568870243.db2.gz UMIOSMXJFBQPJQ-UHFFFAOYSA-N 0 0 448.488 2.542 50 0 IFAARN Cc1cccc(-n2ccnc2SCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1 ZINC000016126637 568871252 /nfs/dbraw/zinc/87/12/52/568871252.db2.gz NEUURCZNJFQUIR-HNNXBMFYSA-N 0 0 442.566 2.898 50 0 IFAARN Cc1ccc(NC(=O)CSc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1C ZINC000012946933 568871349 /nfs/dbraw/zinc/87/13/49/568871349.db2.gz MJNQZYNQYKZFLX-UHFFFAOYSA-N 0 0 441.557 2.672 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)Cc2ccco2)cc1 ZINC000012947624 568871476 /nfs/dbraw/zinc/87/14/76/568871476.db2.gz MAZWEYGCLXRTJI-UHFFFAOYSA-N 0 0 426.494 2.990 50 0 IFAARN CCOC(=O)c1ccc(OC[C@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 ZINC000012947965 568871485 /nfs/dbraw/zinc/87/14/85/568871485.db2.gz BAHBNACGNJLQMB-MRXNPFEDSA-N 0 0 447.289 2.719 50 0 IFAARN CCn1c2ccc(C(=O)OCc3nc(N)nc(Nc4ccccc4)n3)cc2nc(C)c1=O ZINC000026203620 568875746 /nfs/dbraw/zinc/87/57/46/568875746.db2.gz JXNCNBJMJPHWFU-UHFFFAOYSA-N 0 0 431.456 2.593 50 0 IFAARN Cn1c(=O)n(C2CCN(C(=O)c3cc(Br)cs3)CC2)nc1C(F)(F)F ZINC000575606191 568878065 /nfs/dbraw/zinc/87/80/65/568878065.db2.gz DZJOFIFMISWYIK-UHFFFAOYSA-N 0 0 439.257 2.902 50 0 IFAARN COc1cc(/C=C/C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc(OC)c1OC ZINC000009096807 568878388 /nfs/dbraw/zinc/87/83/88/568878388.db2.gz RZNRWLMTMKJGPD-CSKARUKUSA-N 0 0 434.514 2.923 50 0 IFAARN O=C(CNC(=O)OCc1ccccc1)Nc1ccccc1Cc1nc(-c2cnccn2)no1 ZINC000575608573 568878425 /nfs/dbraw/zinc/87/84/25/568878425.db2.gz VHMUIDGOQMWIQI-UHFFFAOYSA-N 0 0 444.451 2.982 50 0 IFAARN C[C@@H]1CN(c2ccc(C(=O)N3CSC[C@H]3C(=O)NCc3ccccc3)cn2)C[C@@H](C)O1 ZINC000024670463 568880243 /nfs/dbraw/zinc/88/02/43/568880243.db2.gz JSNMWVGMJWYROF-HLIPFELVSA-N 0 0 440.569 2.527 50 0 IFAARN CC(=O)OCC(=O)[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000000996557 568880483 /nfs/dbraw/zinc/88/04/83/568880483.db2.gz ADKSQQOMYDIKJT-CAXCCDQUSA-N 0 0 442.508 2.907 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)C1 ZINC000575617008 568881723 /nfs/dbraw/zinc/88/17/23/568881723.db2.gz MEVVXEVIYKHRKW-MRXNPFEDSA-N 0 0 441.532 2.602 50 0 IFAARN O=C(c1cccc(OC(F)(F)F)c1)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1 ZINC000575617796 568881903 /nfs/dbraw/zinc/88/19/03/568881903.db2.gz RDAUQWBOCONFPP-UHFFFAOYSA-N 0 0 434.374 2.873 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](OCCO)c3ccsc3)n(C)n2)c1 ZINC000575618685 568882323 /nfs/dbraw/zinc/88/23/23/568882323.db2.gz AXXXGQKTCFAXDH-FQEVSTJZSA-N 0 0 431.514 2.646 50 0 IFAARN CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2[C@H](C)CC)NC(=O)N[C@H]1C ZINC000009468180 568883582 /nfs/dbraw/zinc/88/35/82/568883582.db2.gz CKSMBSDUOSJSCC-OLZOCXBDSA-N 0 0 430.530 2.978 50 0 IFAARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(O[C@H]4CCCC[C@H]4O)cc3)ccc21 ZINC000225440423 568885245 /nfs/dbraw/zinc/88/52/45/568885245.db2.gz VROWYJDNUSLDEY-RTWAWAEBSA-N 0 0 430.526 2.943 50 0 IFAARN O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000229899949 568887133 /nfs/dbraw/zinc/88/71/33/568887133.db2.gz OJSCANUVCDCQSX-QNFHRHJVSA-N 0 0 425.847 2.910 50 0 IFAARN CC[C@H](C(=O)Nc1ccccc1OC)n1cccc(-c2nc(-c3cnccn3)no2)c1=O ZINC000090592155 568888677 /nfs/dbraw/zinc/88/86/77/568888677.db2.gz CBSUZQIYDSEKKX-QGZVFWFLSA-N 0 0 432.440 2.954 50 0 IFAARN Cc1ccnc(Nc2cc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)nc(C)n2)c1 ZINC000090607974 568890619 /nfs/dbraw/zinc/89/06/19/568890619.db2.gz GWRRWCFDIMEXKK-UHFFFAOYSA-N 0 0 442.520 2.882 50 0 IFAARN CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1ccccc1I ZINC000012980166 568892017 /nfs/dbraw/zinc/89/20/17/568892017.db2.gz ITZATPBMORTFMX-UHFFFAOYSA-N 0 0 433.271 2.593 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 ZINC000015172275 568893253 /nfs/dbraw/zinc/89/32/53/568893253.db2.gz LHVINTLFDPLWIX-XCVCLJGOSA-N 0 0 447.944 2.878 50 0 IFAARN C[C@@H](Oc1ccccc1)c1nc(-c2ccc3c(c2)nnn3CCC(=O)N2CCOCC2)no1 ZINC000035558455 568893385 /nfs/dbraw/zinc/89/33/85/568893385.db2.gz OQWOMITZWVTVET-MRXNPFEDSA-N 0 0 448.483 2.870 50 0 IFAARN CCCN(Cc1nnc(-c2ccco2)o1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012983418 568895235 /nfs/dbraw/zinc/89/52/35/568895235.db2.gz IWUSTFWYSDTNQV-UHFFFAOYSA-N 0 0 446.529 2.763 50 0 IFAARN CCN(C(=O)C=Cc1c(F)cccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000040129010 568896645 /nfs/dbraw/zinc/89/66/45/568896645.db2.gz DHKSQBLQRMDSCP-VAWYXSNFSA-N 0 0 426.423 2.512 50 0 IFAARN COc1cccc(S(=O)(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)c1 ZINC000077160805 568897539 /nfs/dbraw/zinc/89/75/39/568897539.db2.gz YWGKECDZGVFVRJ-UHFFFAOYSA-N 0 0 426.542 2.565 50 0 IFAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)cs1 ZINC000013003334 568898505 /nfs/dbraw/zinc/89/85/05/568898505.db2.gz VVNGQONMTGNYKD-JOCHJYFZSA-N 0 0 432.549 2.920 50 0 IFAARN Cc1c(C)c(=O)oc2c(C)c(OCC(=O)N3C[C@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)ccc12 ZINC000524729182 568903510 /nfs/dbraw/zinc/90/35/10/568903510.db2.gz HPEYOMHRHYKCSP-WSTZPKSXSA-N 0 0 438.524 2.956 50 0 IFAARN Cc1c(C)c(=O)oc2c(C)c(OCC(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)ccc12 ZINC000524729181 568903560 /nfs/dbraw/zinc/90/35/60/568903560.db2.gz HPEYOMHRHYKCSP-HBFSDRIKSA-N 0 0 438.524 2.956 50 0 IFAARN CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000089274595 568910039 /nfs/dbraw/zinc/91/00/39/568910039.db2.gz AYMWCYMPGOMMCH-BUXKBTBVSA-N 0 0 441.937 2.573 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CCCc3ccccc32)o1 ZINC000239351896 568911299 /nfs/dbraw/zinc/91/12/99/568911299.db2.gz AAKJHFCIDJEPLO-ROUUACIJSA-N 0 0 446.525 2.803 50 0 IFAARN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)NC(=O)NCc2ccco2)[C@@H]2CCCC[C@H]12 ZINC000241587904 568912349 /nfs/dbraw/zinc/91/23/49/568912349.db2.gz OYBLANNHSRRSGN-ORFRNNEJSA-N 0 0 432.565 2.789 50 0 IFAARN Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000001858849 568916937 /nfs/dbraw/zinc/91/69/37/568916937.db2.gz WSTSZWMYDHYAKV-UHFFFAOYSA-N 0 0 437.279 2.574 50 0 IFAARN CCOC(=O)c1cc(NCc2cc(=O)n3nc(CC)sc3n2)cc(C(=O)OCC)c1 ZINC000026799090 568917224 /nfs/dbraw/zinc/91/72/24/568917224.db2.gz IESBWWSECBFDFW-UHFFFAOYSA-N 0 0 430.486 2.679 50 0 IFAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCCN21 ZINC000247988163 568918832 /nfs/dbraw/zinc/91/88/32/568918832.db2.gz ZPKGMTPGTKOPNI-GKAYAJSDSA-N 0 0 437.883 2.780 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 ZINC000016504090 568920436 /nfs/dbraw/zinc/92/04/36/568920436.db2.gz UIIMGVUSNMUFAL-UHFFFAOYSA-N 0 0 439.896 2.617 50 0 IFAARN CN(C(=O)CCNC(=O)c1ccc(F)cc1F)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000089335245 568920635 /nfs/dbraw/zinc/92/06/35/568920635.db2.gz JMGGKBJHCWTGKE-INIZCTEOSA-N 0 0 442.871 2.725 50 0 IFAARN CS(=O)(=O)CC1(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)CCOCC1 ZINC000089484231 568926803 /nfs/dbraw/zinc/92/68/03/568926803.db2.gz HTQOLPWSSUXECJ-UHFFFAOYSA-N 0 0 429.970 2.614 50 0 IFAARN C[S@](=O)C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)c1ccccc1 ZINC000089493049 568926973 /nfs/dbraw/zinc/92/69/73/568926973.db2.gz FLINFBUWIIFFHB-SGANQWHYSA-N 0 0 427.295 2.763 50 0 IFAARN C[S@@](=O)C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)c1ccccc1 ZINC000089493046 568927021 /nfs/dbraw/zinc/92/70/21/568927021.db2.gz FLINFBUWIIFFHB-BZQUYTCOSA-N 0 0 427.295 2.763 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc32)no1 ZINC000064450681 568928772 /nfs/dbraw/zinc/92/87/72/568928772.db2.gz MVTASDZZCZXJLY-UHFFFAOYSA-N 0 0 442.497 2.975 50 0 IFAARN C[C@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc32)C1 ZINC000006530539 568929854 /nfs/dbraw/zinc/92/98/54/568929854.db2.gz OHUKNTWHBODEGI-KRWDZBQOSA-N 0 0 431.540 2.867 50 0 IFAARN C[C@@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc32)C1 ZINC000006530538 568929933 /nfs/dbraw/zinc/92/99/33/568929933.db2.gz OHUKNTWHBODEGI-QGZVFWFLSA-N 0 0 431.540 2.867 50 0 IFAARN CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)CCc1ccc(OC)cc1)CC2 ZINC000064567135 568933341 /nfs/dbraw/zinc/93/33/41/568933341.db2.gz XKNOKGLJGXKJHZ-UHFFFAOYSA-N 0 0 440.573 2.947 50 0 IFAARN COc1ccccc1NC(=O)CSc1nnc2c(=O)n(-c3ccccc3OC)ccn12 ZINC000064593061 568935586 /nfs/dbraw/zinc/93/55/86/568935586.db2.gz PSVPCPVZLLWALI-UHFFFAOYSA-N 0 0 437.481 2.628 50 0 IFAARN COc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(F)cc4F)nnc3c2=O)cc1 ZINC000064593154 568935740 /nfs/dbraw/zinc/93/57/40/568935740.db2.gz MAYCBTFKTUCINH-UHFFFAOYSA-N 0 0 443.435 2.898 50 0 IFAARN COc1ccccc1-n1ccn2c(SCC(=O)Nc3ccc(F)cc3)nnc2c1=O ZINC000064593239 568935803 /nfs/dbraw/zinc/93/58/03/568935803.db2.gz KIIXFTHODIJEJS-UHFFFAOYSA-N 0 0 425.445 2.759 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1 ZINC000016689611 568938689 /nfs/dbraw/zinc/93/86/89/568938689.db2.gz WOQFZLMXLQVINV-UHFFFAOYSA-N 0 0 428.510 2.577 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(=O)n3cccc(C)c3n1)CCC2 ZINC000016689555 568938717 /nfs/dbraw/zinc/93/87/17/568938717.db2.gz NRDYCOCIZJHUED-UHFFFAOYSA-N 0 0 444.538 2.856 50 0 IFAARN COc1ccc(-c2nc(Cn3c(=O)c4c(C)cc(C)nc4n(C)c3=O)c(C)o2)cc1OC ZINC000064604552 568938933 /nfs/dbraw/zinc/93/89/33/568938933.db2.gz TXUUFOFJCGUAFC-UHFFFAOYSA-N 0 0 436.468 2.741 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000036001509 568942022 /nfs/dbraw/zinc/94/20/22/568942022.db2.gz ARVLAYXAHPFTEU-VGSWGCGISA-N 0 0 442.560 2.533 50 0 IFAARN CC(C)NC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(C)C ZINC000036072978 568945679 /nfs/dbraw/zinc/94/56/79/568945679.db2.gz UNYWEOLVHKSGFA-UHFFFAOYSA-N 0 0 442.539 2.760 50 0 IFAARN CCN(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(C)=O ZINC000036071297 568945682 /nfs/dbraw/zinc/94/56/82/568945682.db2.gz ORXBSJSADAZQTI-UHFFFAOYSA-N 0 0 436.343 2.967 50 0 IFAARN CC[C@@H](C)N(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(C)=O ZINC000036071373 568945843 /nfs/dbraw/zinc/94/58/43/568945843.db2.gz JLVVTIAFVDQAOA-GOSISDBHSA-N 0 0 439.560 2.838 50 0 IFAARN CCN(CC)C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036085662 568948049 /nfs/dbraw/zinc/94/80/49/568948049.db2.gz YJQQPZHJLNXQOO-UHFFFAOYSA-N 0 0 430.867 2.717 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036085643 568948153 /nfs/dbraw/zinc/94/81/53/568948153.db2.gz NSLAQYITKMFXEO-ZDUSSCGKSA-N 0 0 430.867 2.763 50 0 IFAARN CCCNC(=O)c1nn(-c2ccccc2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036085961 568948306 /nfs/dbraw/zinc/94/83/06/568948306.db2.gz GPZYZLXYZRHEAN-UHFFFAOYSA-N 0 0 432.402 2.601 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3C)c2=O)cc1 ZINC000036086679 568949010 /nfs/dbraw/zinc/94/90/10/568949010.db2.gz QPRDWLKHDLAHCN-UHFFFAOYSA-N 0 0 440.503 2.989 50 0 IFAARN CCN(C)C(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2ccccc2C)c1=O ZINC000036089248 568950406 /nfs/dbraw/zinc/95/04/06/568950406.db2.gz YAMOPXXDPCRBNM-UHFFFAOYSA-N 0 0 426.904 2.805 50 0 IFAARN Cc1cc(C)cc(-n2nc(C(=O)NCC3CC3)c(=O)n(Cc3cccc(Cl)c3)c2=O)c1 ZINC000036094054 568950834 /nfs/dbraw/zinc/95/08/34/568950834.db2.gz XHVSFQWEOBFQRG-UHFFFAOYSA-N 0 0 438.915 2.853 50 0 IFAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccco3)nn(-c3cc(C)cc(C)c3)c2=O)cc1 ZINC000036093993 568950836 /nfs/dbraw/zinc/95/08/36/568950836.db2.gz FXKJIJZGRRILOS-UHFFFAOYSA-N 0 0 444.491 2.891 50 0 IFAARN Cc1c(CCC(=O)NCc2ccccc2Cl)c(C(=O)N2CCN(C)CC2)c(C)n1C ZINC000064756975 568951372 /nfs/dbraw/zinc/95/13/72/568951372.db2.gz FATBTGHVDNFRKU-UHFFFAOYSA-N 0 0 430.980 2.932 50 0 IFAARN CC(C)c1nnc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4F)CC3)c2)o1 ZINC000064759868 568952145 /nfs/dbraw/zinc/95/21/45/568952145.db2.gz QQTNUGGYWCRVHY-UHFFFAOYSA-N 0 0 425.464 2.510 50 0 IFAARN COCCNc1c(-c2cccc(OC)c2)nc2sc(C(=O)N3CCN(C)CC3)c(C)n21 ZINC000064761264 568952243 /nfs/dbraw/zinc/95/22/43/568952243.db2.gz FBMCEAGPRYQOKG-UHFFFAOYSA-N 0 0 443.573 2.826 50 0 IFAARN COc1ccc(OC[C@@H](O)CN(CCN2CCOCC2)Cc2ccc(F)cc2F)cc1 ZINC000036104018 568952886 /nfs/dbraw/zinc/95/28/86/568952886.db2.gz UIZWNMWNYUJZQP-FQEVSTJZSA-N 0 0 436.499 2.548 50 0 IFAARN COc1ccc(CCNC(=O)[C@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)cc1OC ZINC000064775994 568954875 /nfs/dbraw/zinc/95/48/75/568954875.db2.gz KJKYKKCDWIYOES-HNNXBMFYSA-N 0 0 434.496 2.825 50 0 IFAARN CCOc1cccc([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1O ZINC000064788122 568956452 /nfs/dbraw/zinc/95/64/52/568956452.db2.gz LDGOGCLNQQRMIN-HSZRJFAPSA-N 0 0 447.491 2.930 50 0 IFAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)COC ZINC000036119547 568956828 /nfs/dbraw/zinc/95/68/28/568956828.db2.gz SFLOJLXCOHNRNB-HXUWFJFHSA-N 0 0 446.569 2.764 50 0 IFAARN O=C(CCc1nc(-c2cc3ccccc3[nH]c2=O)no1)N1CCN(c2ccc(F)cc2)CC1 ZINC000064790055 568957357 /nfs/dbraw/zinc/95/73/57/568957357.db2.gz PVXUGUWLOQIEGN-UHFFFAOYSA-N 0 0 447.470 2.999 50 0 IFAARN Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCOCC2)cc1 ZINC000064793272 568959607 /nfs/dbraw/zinc/95/96/07/568959607.db2.gz GPTGZANKXZJDEL-QFIPXVFZSA-N 0 0 430.512 2.599 50 0 IFAARN COc1cc2c(cc1CNC(=O)Cn1c(C)nc3cc4c(cc31)OCCO4)OCCCO2 ZINC000064795061 568960042 /nfs/dbraw/zinc/96/00/42/568960042.db2.gz BBBBDRTZZLMWAA-UHFFFAOYSA-N 0 0 439.468 2.602 50 0 IFAARN NC(=O)COc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064798070 568960397 /nfs/dbraw/zinc/96/03/97/568960397.db2.gz SEFLYCRMPSGOMK-MRXNPFEDSA-N 0 0 442.518 2.919 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)N3C[C@H](C)C[C@H](C)C3)ccc2N1C(=O)C1CC1 ZINC000036147294 568962376 /nfs/dbraw/zinc/96/23/76/568962376.db2.gz DPMUWWMCVMYSLZ-IXDOHACOSA-N 0 0 447.601 2.547 50 0 IFAARN CCn1nc(C)c2nc(SCC(=O)NCc3ccccc3)n(Cc3ccco3)c(=O)c21 ZINC000064817455 568964506 /nfs/dbraw/zinc/96/45/06/568964506.db2.gz GATYWOCSDKPLDV-UHFFFAOYSA-N 0 0 437.525 2.971 50 0 IFAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)Nc3cc(C)ccc3C)n2)CC1 ZINC000064818138 568965014 /nfs/dbraw/zinc/96/50/14/568965014.db2.gz LLTVNFHMWWPIGI-UHFFFAOYSA-N 0 0 447.539 2.834 50 0 IFAARN COCCNC(=O)[C@@]1(C)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccc(OC)cc1 ZINC000064816336 568965057 /nfs/dbraw/zinc/96/50/57/568965057.db2.gz MPYHVKLVBFCHKW-JOCHJYFZSA-N 0 0 440.525 2.802 50 0 IFAARN CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc21 ZINC000064818842 568965468 /nfs/dbraw/zinc/96/54/68/568965468.db2.gz TWTPONYNKGJHPM-UHFFFAOYSA-N 0 0 426.397 2.627 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)c(C)c2)cn1C ZINC000064819016 568965833 /nfs/dbraw/zinc/96/58/33/568965833.db2.gz YHOPRZPWXJOJMP-SFHVURJKSA-N 0 0 433.530 2.610 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)N(CC)c2cccc(C)c2)cn1C ZINC000064819009 568965861 /nfs/dbraw/zinc/96/58/61/568965861.db2.gz TXLQTJXUZCEUGA-IBGZPJMESA-N 0 0 447.557 2.716 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CCCCCCC2)cn1C ZINC000064818999 568965870 /nfs/dbraw/zinc/96/58/70/568965870.db2.gz MAGDRSSSUUBKCE-GOSISDBHSA-N 0 0 439.578 2.584 50 0 IFAARN COc1cccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3)C(=O)N3CCCC3)CC2)c1 ZINC000036157899 568966183 /nfs/dbraw/zinc/96/61/83/568966183.db2.gz UVOWVAGKTRDIAP-QHCPKHFHSA-N 0 0 449.551 2.968 50 0 IFAARN O=C(Cc1ccccc1)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)N2CCCC2)CC1 ZINC000036157886 568966224 /nfs/dbraw/zinc/96/62/24/568966224.db2.gz NQGGCHUNUCDMOV-XMMPIXPASA-N 0 0 433.552 2.889 50 0 IFAARN COc1ccc2c(c1)[C@H]1NC(=S)N(c3ccccc3OC)[C@@](C)(O2)[C@@H]1C(=O)N(C)C ZINC000036186871 568970262 /nfs/dbraw/zinc/97/02/62/568970262.db2.gz VHYSXWGEFCCWFK-JQVVWYNYSA-N 0 0 427.526 2.953 50 0 IFAARN COc1ccc(OCc2nc(CCN(C)S(=O)(=O)c3ccc(OC)cc3)no2)cc1 ZINC000064841993 568970632 /nfs/dbraw/zinc/97/06/32/568970632.db2.gz IPENPNUTINTJGD-UHFFFAOYSA-N 0 0 433.486 2.529 50 0 IFAARN O=C(CCc1ccccc1)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)NC2CC2)CC1 ZINC000036209497 568973673 /nfs/dbraw/zinc/97/36/73/568973673.db2.gz VUZARFOBWRUNKO-JOCHJYFZSA-N 0 0 439.581 2.997 50 0 IFAARN O=C(CCc1ccccc1)N1CCC([C@H](NC(=O)c2cccs2)C(=O)NC2CC2)CC1 ZINC000036209495 568973720 /nfs/dbraw/zinc/97/37/20/568973720.db2.gz VUZARFOBWRUNKO-QFIPXVFZSA-N 0 0 439.581 2.997 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000036210193 568974511 /nfs/dbraw/zinc/97/45/11/568974511.db2.gz MYUOSMARUZRPBL-JOCHJYFZSA-N 0 0 431.577 2.851 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036210596 568975007 /nfs/dbraw/zinc/97/50/07/568975007.db2.gz OVGSIGABHWAGLI-QHCPKHFHSA-N 0 0 449.551 2.968 50 0 IFAARN CCOC(=O)c1c(C)c(S(=O)(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)c(C)n1C ZINC000064863244 568975410 /nfs/dbraw/zinc/97/54/10/568975410.db2.gz ZIIDKRWPMJCGHT-UHFFFAOYSA-N 0 0 447.557 2.532 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000036214051 568977092 /nfs/dbraw/zinc/97/70/92/568977092.db2.gz CCOWDVIBADXTCH-HXUWFJFHSA-N 0 0 446.592 2.786 50 0 IFAARN COc1cccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)C3CCCC3)CC2)c1 ZINC000036211256 568977099 /nfs/dbraw/zinc/97/70/99/568977099.db2.gz QJRDFPAKKUCDLU-JOCHJYFZSA-N 0 0 441.572 2.845 50 0 IFAARN CCNC(=S)N1CCC([C@@H](NC(=O)c2ccccc2C)C(=O)N2CCCCC2)CC1 ZINC000036214411 568977313 /nfs/dbraw/zinc/97/73/13/568977313.db2.gz OUMKGUPYYYTCMS-HXUWFJFHSA-N 0 0 430.618 2.712 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000036225148 568978105 /nfs/dbraw/zinc/97/81/05/568978105.db2.gz QXFNHINEDLDLRZ-UHFFFAOYSA-N 0 0 437.949 2.927 50 0 IFAARN Cc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2nccnc21 ZINC000064887524 568978854 /nfs/dbraw/zinc/97/88/54/568978854.db2.gz RVJOPRTUKGWXNH-UHFFFAOYSA-N 0 0 449.898 2.910 50 0 IFAARN O=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccccc1 ZINC000064889096 568980293 /nfs/dbraw/zinc/98/02/93/568980293.db2.gz CTUQNDQLUWQOIZ-UHFFFAOYSA-N 0 0 426.542 2.917 50 0 IFAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000064891568 568982562 /nfs/dbraw/zinc/98/25/62/568982562.db2.gz WDSRUSLUSXULJT-UHFFFAOYSA-N 0 0 434.452 2.604 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CCc3ccccc3C2)n1 ZINC000064892140 568982919 /nfs/dbraw/zinc/98/29/19/568982919.db2.gz QIDPIGSTZWXMFO-GOSISDBHSA-N 0 0 442.519 2.810 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCN([C@@H](C(=O)NCC2CC2)C2CCCC2)CC1 ZINC000036254517 568984837 /nfs/dbraw/zinc/98/48/37/568984837.db2.gz KTPSRSXIYFSXHG-JOCHJYFZSA-N 0 0 433.980 2.948 50 0 IFAARN O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)CC1 ZINC000064920596 568985401 /nfs/dbraw/zinc/98/54/01/568985401.db2.gz UHAMULUSHBAZNF-UHFFFAOYSA-N 0 0 448.526 2.805 50 0 IFAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 ZINC000064920852 568985626 /nfs/dbraw/zinc/98/56/26/568985626.db2.gz WDBFKUTVDHFULG-GOSISDBHSA-N 0 0 443.525 2.735 50 0 IFAARN Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)c1 ZINC000064921114 568985654 /nfs/dbraw/zinc/98/56/54/568985654.db2.gz VGRCWJOEFPUCRH-YJBOKZPZSA-N 0 0 443.525 2.815 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1F ZINC000064920892 568985688 /nfs/dbraw/zinc/98/56/88/568985688.db2.gz CIPWKVBECGCRKR-KRWDZBQOSA-N 0 0 447.488 2.565 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(C)n1C ZINC000064923261 568986235 /nfs/dbraw/zinc/98/62/35/568986235.db2.gz VNLGVMHNGLIPHB-UHFFFAOYSA-N 0 0 425.938 2.675 50 0 IFAARN Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)NC[C@H](C)c1ccccc1 ZINC000064925042 568986412 /nfs/dbraw/zinc/98/64/12/568986412.db2.gz DTRWVHJBWINRLO-SFHVURJKSA-N 0 0 448.571 2.968 50 0 IFAARN COc1ccc(CNC(=O)C2CCN(c3ccc(=O)n(-c4ccc(OC)cc4)n3)CC2)cc1 ZINC000064927142 568986959 /nfs/dbraw/zinc/98/69/59/568986959.db2.gz QRANMZNAVXQJOE-UHFFFAOYSA-N 0 0 448.523 2.783 50 0 IFAARN COc1ccc(-n2nc(N3CCC[C@H](C(=O)NCc4ccccc4F)C3)ccc2=O)cc1 ZINC000064928295 568987461 /nfs/dbraw/zinc/98/74/61/568987461.db2.gz SJSNGWJSCSLZBA-SFHVURJKSA-N 0 0 436.487 2.913 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2N1C(=O)C1CC1 ZINC000169680179 568990801 /nfs/dbraw/zinc/99/08/01/568990801.db2.gz DPMUWWMCVMYSLZ-BRWVUGGUSA-N 0 0 447.601 2.547 50 0 IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@@H](O)COC(C)(C)C ZINC000169679291 568990817 /nfs/dbraw/zinc/99/08/17/568990817.db2.gz HEHFMHOLFIAESE-HUUCEWRRSA-N 0 0 437.606 2.734 50 0 IFAARN O=C(c1ccc(F)cc1)N(CC1CC1)C[C@H]1CN(C[C@@H](O)COCc2ccco2)CCO1 ZINC000169679718 568991202 /nfs/dbraw/zinc/99/12/02/568991202.db2.gz FWXVHYLVNPISBZ-FYYLOGMGSA-N 0 0 446.519 2.549 50 0 IFAARN CCc1ccccc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(Cl)cc2)ccc1=O ZINC000064943131 568992449 /nfs/dbraw/zinc/99/24/49/568992449.db2.gz IAOLPNLONANBMU-UHFFFAOYSA-N 0 0 431.901 2.931 50 0 IFAARN Cc1ccc2c(c1)N(C(=O)Cn1nc3c4c5c(sc4ncn3c1=O)CCCC5)CCO2 ZINC000064945731 568992937 /nfs/dbraw/zinc/99/29/37/568992937.db2.gz LQWGAYJDKLKFMB-UHFFFAOYSA-N 0 0 435.509 2.719 50 0 IFAARN O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4)NCc1ccc(Cl)cc1 ZINC000064945717 568992969 /nfs/dbraw/zinc/99/29/69/568992969.db2.gz RQNVJJNZGAFJMJ-UHFFFAOYSA-N 0 0 427.917 2.954 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)Nc4ccc(C(C)=O)cc4)cc3oc2=O)no1 ZINC000064946871 568993751 /nfs/dbraw/zinc/99/37/51/568993751.db2.gz WJLCPYIXSZDEJP-UHFFFAOYSA-N 0 0 442.453 2.592 50 0 IFAARN Cc1nc(Cn2c(=O)oc3cc(S(=O)(=O)Nc4ccc(F)c(Cl)c4)ccc32)no1 ZINC000064946859 568993912 /nfs/dbraw/zinc/99/39/12/568993912.db2.gz CNCNKACDKDZKTR-UHFFFAOYSA-N 0 0 438.824 2.928 50 0 IFAARN O=C(NC[C@@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036311089 568996748 /nfs/dbraw/zinc/99/67/48/568996748.db2.gz CINQYNNZIZNIII-LEWJYISDSA-N 0 0 448.608 2.994 50 0 IFAARN NC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000006810080 568999620 /nfs/dbraw/zinc/99/96/20/568999620.db2.gz AKLHKBBODFJULJ-UHFFFAOYSA-N 0 0 427.570 2.848 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(C(=O)N3CCCCC3)c(=O)c3ccc(C)nc32)cc1 ZINC000064963743 569000791 /nfs/dbraw/zinc/00/07/91/569000791.db2.gz PINBUNKXVNETQN-UHFFFAOYSA-N 0 0 434.496 2.978 50 0 IFAARN CCC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)ccc21 ZINC000064976930 569077350 /nfs/dbraw/zinc/07/73/50/569077350.db2.gz NKPLERDITBAGSH-OAHLLOKOSA-N 0 0 441.553 2.762 50 0 IFAARN COc1ccc(OC)c(NC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)c1 ZINC000064977656 569077496 /nfs/dbraw/zinc/07/74/96/569077496.db2.gz IPGQHFBYLCNMKL-UHFFFAOYSA-N 0 0 435.488 2.824 50 0 IFAARN CC(C)CC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)ccc21 ZINC000064977091 569077516 /nfs/dbraw/zinc/07/75/16/569077516.db2.gz NBQPRQPGGCNFOV-UHFFFAOYSA-N 0 0 441.553 2.619 50 0 IFAARN CCOc1ccc(CNC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)cc1 ZINC000064977662 569077560 /nfs/dbraw/zinc/07/75/60/569077560.db2.gz LZQSNFAFWWLYPW-UHFFFAOYSA-N 0 0 433.516 2.883 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000064979368 569077811 /nfs/dbraw/zinc/07/78/11/569077811.db2.gz QJSSAIGWIIFWQO-UHFFFAOYSA-N 0 0 447.557 2.858 50 0 IFAARN O=C(Nc1ccc(F)cc1F)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 ZINC000064979079 569078055 /nfs/dbraw/zinc/07/80/55/569078055.db2.gz IOCBMRAZFPBUOC-UHFFFAOYSA-N 0 0 442.466 2.832 50 0 IFAARN Cc1ccc(CNC(=O)N2CCC(N3CCN(Cc4ccc(C)cc4)C(=O)C3=O)CC2)cc1 ZINC000064979107 569078213 /nfs/dbraw/zinc/07/82/13/569078213.db2.gz GGVWAEZSIOMMEP-UHFFFAOYSA-N 0 0 448.567 2.848 50 0 IFAARN COc1cccc(C2=NN(C(=O)CN3CCN(C(C)=O)CC3)[C@@H](c3ccccc3F)C2)c1 ZINC000036341526 569079307 /nfs/dbraw/zinc/07/93/07/569079307.db2.gz ITCZEXOZRSYISA-HSZRJFAPSA-N 0 0 438.503 2.676 50 0 IFAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccco3)Oc3cc(C)ccc32)cc1 ZINC000064986403 569082362 /nfs/dbraw/zinc/08/23/62/569082362.db2.gz JBMIBYHCCZGKKG-OAQYLSRUSA-N 0 0 442.493 2.869 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCCCO2)Cc1ccc(Cl)cc1 ZINC000064987338 569082481 /nfs/dbraw/zinc/08/24/81/569082481.db2.gz WZXNYSCTWHIJID-UHFFFAOYSA-N 0 0 438.933 2.579 50 0 IFAARN O=C(CSc1ccccc1)NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000064991232 569083559 /nfs/dbraw/zinc/08/35/59/569083559.db2.gz KBYLJHVFIZJGMY-UHFFFAOYSA-N 0 0 428.495 2.928 50 0 IFAARN COC(=O)c1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1C ZINC000064988664 569083689 /nfs/dbraw/zinc/08/36/89/569083689.db2.gz CZNJEFVNRKDXAO-LJQANCHMSA-N 0 0 432.498 2.646 50 0 IFAARN COc1ccc(NC(=O)c2nnc(CNS(=O)(=O)c3ccccc3Cl)s2)cc1 ZINC000064991646 569084718 /nfs/dbraw/zinc/08/47/18/569084718.db2.gz RAAOCIHJGRVFLW-UHFFFAOYSA-N 0 0 438.918 2.931 50 0 IFAARN COc1ccc(NC(=O)c2nnc(CNS(=O)(=O)c3cc(C)ccc3C)s2)cc1 ZINC000064991628 569084745 /nfs/dbraw/zinc/08/47/45/569084745.db2.gz JQYMNDCZCBZNBC-UHFFFAOYSA-N 0 0 432.527 2.894 50 0 IFAARN O=C(Cc1noc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1)NCc1ccccc1 ZINC000036359484 569085812 /nfs/dbraw/zinc/08/58/12/569085812.db2.gz CMOCTGGPBKDHDR-UHFFFAOYSA-N 0 0 439.903 2.544 50 0 IFAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCN(Cc4ccccc4)CC3)nn1C)C2 ZINC000036365164 569086798 /nfs/dbraw/zinc/08/67/98/569086798.db2.gz PGYIGFZKNYEZIG-UHFFFAOYSA-N 0 0 432.524 2.967 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1nn(C)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000036366056 569087008 /nfs/dbraw/zinc/08/70/08/569087008.db2.gz ICEAQJSRYDDPEB-GOSISDBHSA-N 0 0 435.480 2.523 50 0 IFAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)N(C)C4CCCCC4)c(C)cc32)no1 ZINC000065022666 569089003 /nfs/dbraw/zinc/08/90/03/569089003.db2.gz HWHJYUFVHDZXGH-UHFFFAOYSA-N 0 0 448.545 2.819 50 0 IFAARN Cn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)ccc21 ZINC000065022016 569089116 /nfs/dbraw/zinc/08/91/16/569089116.db2.gz MWZZXETYOQVMBM-UHFFFAOYSA-N 0 0 449.529 2.779 50 0 IFAARN Cc1ccc(C(=O)N2CCCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)cc1F ZINC000065024494 569089578 /nfs/dbraw/zinc/08/95/78/569089578.db2.gz HXODCBFSOUEZKK-UHFFFAOYSA-N 0 0 430.524 2.972 50 0 IFAARN CCc1ccccc1NC(=O)NCCn1nnc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000065029955 569091263 /nfs/dbraw/zinc/09/12/63/569091263.db2.gz UIZZVLGPOVRLBO-UHFFFAOYSA-N 0 0 444.561 2.846 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(N(C)C)c4)ccn3n2)cc1 ZINC000169749856 569091938 /nfs/dbraw/zinc/09/19/38/569091938.db2.gz OVCASFDLYYCZTE-UHFFFAOYSA-N 0 0 431.496 2.668 50 0 IFAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)Cc2ccc(OC)cc2OC)CC1 ZINC000036384989 569092935 /nfs/dbraw/zinc/09/29/35/569092935.db2.gz HHPBHGPFTLCSDH-UHFFFAOYSA-N 0 0 425.529 2.592 50 0 IFAARN O=C(CN1CCN(C(=O)C[C@H]2OC(=O)c3ccccc32)CC1)Nc1ccccc1Cl ZINC000036385057 569093020 /nfs/dbraw/zinc/09/30/20/569093020.db2.gz IDCDGNNFFKDICG-LJQANCHMSA-N 0 0 427.888 2.725 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)c1 ZINC000169752342 569093068 /nfs/dbraw/zinc/09/30/68/569093068.db2.gz HEYJPAMVXYISSH-UHFFFAOYSA-N 0 0 434.427 2.636 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccc(F)cc1F ZINC000169752459 569093218 /nfs/dbraw/zinc/09/32/18/569093218.db2.gz TYLDIOVUBXYYTO-UHFFFAOYSA-N 0 0 428.370 2.711 50 0 IFAARN CCOc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1 ZINC000169752424 569093227 /nfs/dbraw/zinc/09/32/27/569093227.db2.gz VKHCTKZIEAPACE-UHFFFAOYSA-N 0 0 436.443 2.832 50 0 IFAARN COC(=O)c1cccc(COC(=O)C2=CN(Cc3ccccc3)S(=O)(=O)N=C2C)c1 ZINC000169755166 569093488 /nfs/dbraw/zinc/09/34/88/569093488.db2.gz VQYFLUBCBCSDRY-UHFFFAOYSA-N 0 0 428.466 2.622 50 0 IFAARN CC(C)CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000169759033 569094030 /nfs/dbraw/zinc/09/40/30/569094030.db2.gz SJMNJXUPXSGOGP-HXUWFJFHSA-N 0 0 428.508 2.918 50 0 IFAARN COc1ccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccc(Cl)cc3)NC2=O)cc1 ZINC000169757885 569094151 /nfs/dbraw/zinc/09/41/51/569094151.db2.gz WRBRNMFTEMBIDD-HXUWFJFHSA-N 0 0 441.871 2.542 50 0 IFAARN COc1cccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccc(Cl)cc3)NC2=O)c1 ZINC000169757888 569094182 /nfs/dbraw/zinc/09/41/82/569094182.db2.gz POZVNTADTMOPIF-FQEVSTJZSA-N 0 0 441.871 2.542 50 0 IFAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C2=C1C(=O)OC2 ZINC000169758137 569094333 /nfs/dbraw/zinc/09/43/33/569094333.db2.gz LEQNFJCMMYPRQW-FQEVSTJZSA-N 0 0 443.406 2.879 50 0 IFAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2cccc(F)c2)C2=C1C(=O)OC2 ZINC000169758174 569094372 /nfs/dbraw/zinc/09/43/72/569094372.db2.gz QOZUFHQGHCMDEA-HXUWFJFHSA-N 0 0 425.416 2.740 50 0 IFAARN CCCCN(C)C(=O)Cn1c(=O)c2cnc(-c3ccc(Cl)cc3)nc2n(CC)c1=O ZINC000065056984 569094995 /nfs/dbraw/zinc/09/49/95/569094995.db2.gz GIRUMTUHTWLMKU-UHFFFAOYSA-N 0 0 429.908 2.552 50 0 IFAARN O=C(CSC1=NC(=O)[C@@H](Cc2ccccc2)C(=O)N1)Nc1nc2c(s1)CCCC2 ZINC000002459146 569095235 /nfs/dbraw/zinc/09/52/35/569095235.db2.gz FNMQXOMTOFWCAW-UHFFFAOYSA-N 0 0 428.539 2.565 50 0 IFAARN COc1ccccc1CNC(=O)[C@H](C)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000065061466 569096438 /nfs/dbraw/zinc/09/64/38/569096438.db2.gz NFKYUFCGWASKOG-CQSZACIVSA-N 0 0 435.546 2.653 50 0 IFAARN Cc1ccnc(-n2c(S[C@@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)c1 ZINC000036389864 569096505 /nfs/dbraw/zinc/09/65/05/569096505.db2.gz LQBCVXXQZCIHTE-ZDUSSCGKSA-N 0 0 434.529 2.776 50 0 IFAARN Cc1ccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccccc3Cl)NC2=O)cc1 ZINC000169764808 569096764 /nfs/dbraw/zinc/09/67/64/569096764.db2.gz JAQVTJRQRDNYKZ-HXUWFJFHSA-N 0 0 425.872 2.842 50 0 IFAARN COc1ccc(OC)c(CNC(=O)c2csc(-c3ccnc(N4CCOCC4)c3)n2)c1 ZINC000065062635 569097157 /nfs/dbraw/zinc/09/71/57/569097157.db2.gz XXWVEBVDKHNYLX-UHFFFAOYSA-N 0 0 440.525 2.989 50 0 IFAARN CCOc1ccc(NC(=O)c2cc(C)nc(SC)n2)cc1S(=O)(=O)N1CCCC1 ZINC000036392547 569098317 /nfs/dbraw/zinc/09/83/17/569098317.db2.gz HLHPJQVVNYAQJZ-UHFFFAOYSA-N 0 0 436.559 2.942 50 0 IFAARN Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(F)c1 ZINC000036393310 569098452 /nfs/dbraw/zinc/09/84/52/569098452.db2.gz AWQNXOYBQGUUBS-HXUWFJFHSA-N 0 0 428.489 2.754 50 0 IFAARN CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)CSCc1noc(C)n1 ZINC000036396218 569099013 /nfs/dbraw/zinc/09/90/13/569099013.db2.gz CAAOGYOCIKZQCI-UHFFFAOYSA-N 0 0 427.504 2.594 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(C(=O)N3CCc4ccccc43)ccc2=O)cc1Cl ZINC000065076297 569100089 /nfs/dbraw/zinc/10/00/89/569100089.db2.gz GKYJLFPJMVTDRZ-UHFFFAOYSA-N 0 0 438.871 2.747 50 0 IFAARN COC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077206 569100173 /nfs/dbraw/zinc/10/01/73/569100173.db2.gz LSWPIMIETLBTEQ-UHFFFAOYSA-N 0 0 448.522 2.710 50 0 IFAARN COc1ccccc1CNC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000065078313 569100548 /nfs/dbraw/zinc/10/05/48/569100548.db2.gz XNYCKCDBHIOVHA-CQSZACIVSA-N 0 0 448.566 2.856 50 0 IFAARN CC[C@H](C)NC(=O)CN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2CCCC1=O ZINC000065078706 569100605 /nfs/dbraw/zinc/10/06/05/569100605.db2.gz ZEKVLZUCTMDIGC-KRWDZBQOSA-N 0 0 435.590 2.691 50 0 IFAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000169772663 569101604 /nfs/dbraw/zinc/10/16/04/569101604.db2.gz SKDUEZUTJOXQBI-CQSZACIVSA-N 0 0 436.449 2.618 50 0 IFAARN CC(C)n1c(CCNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 ZINC000169772646 569101606 /nfs/dbraw/zinc/10/16/06/569101606.db2.gz XYNXZSSCFLWDHI-LJQANCHMSA-N 0 0 433.512 2.807 50 0 IFAARN CCOc1cccc(CNC(=O)c2ccc(CN3C(=O)NC4(CCOCC4)C3=O)cc2)c1 ZINC000169773487 569102105 /nfs/dbraw/zinc/10/21/05/569102105.db2.gz TYPWJCYXCCOJMU-UHFFFAOYSA-N 0 0 437.496 2.616 50 0 IFAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(OC)c(F)c4)ccn3n2)c1 ZINC000169777066 569102290 /nfs/dbraw/zinc/10/22/90/569102290.db2.gz XRLJPIUNCKBLSW-UHFFFAOYSA-N 0 0 436.443 2.749 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2nnn(-c3ccc(F)cc3)c2-c2ccncc2)CC1 ZINC000065082949 569102481 /nfs/dbraw/zinc/10/24/81/569102481.db2.gz SEHMQQDXZXDZOC-UHFFFAOYSA-N 0 0 438.463 2.819 50 0 IFAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)N1CCN(c2ccccc2F)CC1)CCCCC3 ZINC000169778358 569102622 /nfs/dbraw/zinc/10/26/22/569102622.db2.gz LNQSUAHPZFZZPS-UHFFFAOYSA-N 0 0 437.519 2.721 50 0 IFAARN COc1cc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)cc(OC)c1OC ZINC000169779723 569103279 /nfs/dbraw/zinc/10/32/79/569103279.db2.gz KXKHJOOBYFJJLI-UHFFFAOYSA-N 0 0 438.484 2.606 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N3CCC(CC(=O)N[C@@H](C)CC)CC3)cc2oc1=O ZINC000065086171 569103341 /nfs/dbraw/zinc/10/33/41/569103341.db2.gz WOFKMDNKPLOWGX-HNNXBMFYSA-N 0 0 437.562 2.710 50 0 IFAARN Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)no1 ZINC000036408801 569103383 /nfs/dbraw/zinc/10/33/83/569103383.db2.gz JTEAQTMGSSWRNR-UHFFFAOYSA-N 0 0 441.713 2.795 50 0 IFAARN COc1cccc(CNS(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)c1 ZINC000065115316 569106736 /nfs/dbraw/zinc/10/67/36/569106736.db2.gz LRUFDZGQGXNBGV-UHFFFAOYSA-N 0 0 429.498 2.941 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1 ZINC000065117484 569107674 /nfs/dbraw/zinc/10/76/74/569107674.db2.gz DLBGTSIZWVKENA-UHFFFAOYSA-N 0 0 437.880 2.851 50 0 IFAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCCC3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000169793714 569108201 /nfs/dbraw/zinc/10/82/01/569108201.db2.gz JDQBELHAACIHED-RTWAWAEBSA-N 0 0 432.517 2.861 50 0 IFAARN COc1ccc(CC(=O)N2CCN(c3nc4ccccc4n(CC(C)C)c3=O)CC2)cc1 ZINC000065113250 569108294 /nfs/dbraw/zinc/10/82/94/569108294.db2.gz PQSYZECUXUGLAS-UHFFFAOYSA-N 0 0 434.540 2.952 50 0 IFAARN Cc1cc(C)c(CNC(=O)c2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)c(C)c1 ZINC000065113977 569108573 /nfs/dbraw/zinc/10/85/73/569108573.db2.gz UXRWYHFXPQBVTA-UHFFFAOYSA-N 0 0 428.514 2.842 50 0 IFAARN C=Cc1ccc(Cn2nc3c(S(=O)(=O)N4CCc5ccccc5C4)cccn3c2=O)cc1 ZINC000065129287 569108795 /nfs/dbraw/zinc/10/87/95/569108795.db2.gz IQACSUWVHCWGKX-UHFFFAOYSA-N 0 0 446.532 2.934 50 0 IFAARN Cc1nnc(-c2cccnc2N2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)o1 ZINC000065117856 569108804 /nfs/dbraw/zinc/10/88/04/569108804.db2.gz XURCEKFMBHJRII-UHFFFAOYSA-N 0 0 433.921 2.913 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCN(c3ncccc3-c3nnc(C4CC4)o3)CC2)ccc1F ZINC000065118267 569108923 /nfs/dbraw/zinc/10/89/23/569108923.db2.gz JTAPEKHHRWSPFS-UHFFFAOYSA-N 0 0 443.504 2.967 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)nn1)Nc1cc(F)ccc1F ZINC000065131724 569109498 /nfs/dbraw/zinc/10/94/98/569109498.db2.gz SDAUAMLTYBYMPD-CYBMUJFWSA-N 0 0 447.511 2.981 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)nn1)Nc1ccc(F)cc1F ZINC000065131629 569109538 /nfs/dbraw/zinc/10/95/38/569109538.db2.gz IRPIUTUNXZOGFV-CYBMUJFWSA-N 0 0 447.511 2.981 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)NCc3ccccc3)nn2)C1 ZINC000065131932 569109753 /nfs/dbraw/zinc/10/97/53/569109753.db2.gz WLFGQDCBIGUCNU-GOSISDBHSA-N 0 0 427.574 2.628 50 0 IFAARN CC(C)N1CCN(Cc2ccc(C(=O)NCc3ccc(F)c(Cl)c3)cc2)C(=O)C1=O ZINC000065129848 569110141 /nfs/dbraw/zinc/11/01/41/569110141.db2.gz MOXVBEMQJSUCJP-UHFFFAOYSA-N 0 0 431.895 2.988 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)NCc3ccco3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137392 569110438 /nfs/dbraw/zinc/11/04/38/569110438.db2.gz MJKNRBDPWWLJGV-UHFFFAOYSA-N 0 0 434.543 2.765 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)c1 ZINC000036448977 569110846 /nfs/dbraw/zinc/11/08/46/569110846.db2.gz FZZDSMAQRASNAD-JOCHJYFZSA-N 0 0 427.570 2.630 50 0 IFAARN C[C@H](NC(=O)CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)c1cc2ccccc2o1 ZINC000036450884 569111183 /nfs/dbraw/zinc/11/11/83/569111183.db2.gz ILTPGDMTGGGGPU-SBUREZEXSA-N 0 0 449.507 2.594 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)c(OC)c1 ZINC000065150816 569111449 /nfs/dbraw/zinc/11/14/49/569111449.db2.gz CQXISBXCFSNGMP-UHFFFAOYSA-N 0 0 449.467 2.956 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc3c(Oc4cccc(Cl)c4)nccn3c2=O)cc1 ZINC000065150898 569111558 /nfs/dbraw/zinc/11/15/58/569111558.db2.gz UJWCOQJRLNDEIH-UHFFFAOYSA-N 0 0 439.859 2.662 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(Oc4ccc(Cl)cc4)nccn3c2=O)cc1 ZINC000065150882 569111584 /nfs/dbraw/zinc/11/15/84/569111584.db2.gz RRQMXGBLFWVPSB-UHFFFAOYSA-N 0 0 425.832 2.984 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(Oc4cccc(Cl)c4)nccn3c2=O)cc1 ZINC000065150873 569111652 /nfs/dbraw/zinc/11/16/52/569111652.db2.gz YFNLLDAOBKLLQC-UHFFFAOYSA-N 0 0 425.832 2.984 50 0 IFAARN CCn1cc(C(=O)Nc2ccc(OC)c(OC)c2)c(S(=O)(=O)N2CCCCCC2)n1 ZINC000065152596 569111923 /nfs/dbraw/zinc/11/19/23/569111923.db2.gz NMDDYWJSJVMDEG-UHFFFAOYSA-N 0 0 436.534 2.737 50 0 IFAARN COc1ccc(CNC(=O)Cn2c(=O)cc(-c3nc(C)no3)c3ccccc32)cc1OC ZINC000065154395 569112214 /nfs/dbraw/zinc/11/22/14/569112214.db2.gz BFRIVHHHATWIGF-UHFFFAOYSA-N 0 0 434.452 2.694 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CN1c2ccccc2[C@@](O)(c2cccc(F)c2)C1=O ZINC000065155285 569112493 /nfs/dbraw/zinc/11/24/93/569112493.db2.gz NYOCIMQHQKLICG-DEOSSOPVSA-N 0 0 434.423 2.834 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(CCc3cn(C)c4ncccc34)CC2)cc1Cl ZINC000065164729 569112821 /nfs/dbraw/zinc/11/28/21/569112821.db2.gz LFKWWGXNVOUEDD-UHFFFAOYSA-N 0 0 448.976 2.784 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1c(C)nc2c(-c3ccncc3)nsc2c1=O ZINC000065171033 569112823 /nfs/dbraw/zinc/11/28/23/569112823.db2.gz YCSLSCJWNXEBKV-UHFFFAOYSA-N 0 0 435.465 2.649 50 0 IFAARN O=C(NCCc1ccccn1)C1=NN(c2ccc(Cl)cc2)c2ncccc2S1(=O)=O ZINC000065183485 569113928 /nfs/dbraw/zinc/11/39/28/569113928.db2.gz RQYAZJUATGKYPA-UHFFFAOYSA-N 0 0 441.900 2.728 50 0 IFAARN CCC(=O)N1CCc2cc(N3C[C@H](C(=O)Nc4ccc(NC(C)=O)cc4)CC3=O)ccc21 ZINC000065195414 569115408 /nfs/dbraw/zinc/11/54/08/569115408.db2.gz ZWYRXXXKIAEJSB-QGZVFWFLSA-N 0 0 434.496 2.936 50 0 IFAARN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)NCc4cc(F)cc(F)c4)CC3=O)ccc21 ZINC000065195423 569115423 /nfs/dbraw/zinc/11/54/23/569115423.db2.gz YWMLGFWBMWZKBJ-INIZCTEOSA-N 0 0 427.451 2.933 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc4c(s3)CCN(C(=O)C3CC3)C4)CC2)c1 ZINC000065196254 569115723 /nfs/dbraw/zinc/11/57/23/569115723.db2.gz QNLDTESCASWVON-UHFFFAOYSA-N 0 0 445.610 2.862 50 0 IFAARN CC(C)C(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)nc1 ZINC000065196980 569115803 /nfs/dbraw/zinc/11/58/03/569115803.db2.gz WGSWCILLWQCTLZ-UHFFFAOYSA-N 0 0 432.528 2.820 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)[C@@H]1C ZINC000036512212 569116244 /nfs/dbraw/zinc/11/62/44/569116244.db2.gz PULUHJFNAOMXCH-JFIYKMOQSA-N 0 0 427.998 2.587 50 0 IFAARN O=C(Cn1ccc2ccc(N3CCOCC3)nc21)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000065212063 569116682 /nfs/dbraw/zinc/11/66/82/569116682.db2.gz ISMLUKROYFNPBM-UHFFFAOYSA-N 0 0 439.947 2.875 50 0 IFAARN COc1ccc(Cl)cc1C(=O)N[C@H](C(=O)N1CCN(c2ccccn2)CC1)C(C)C ZINC000065212970 569116929 /nfs/dbraw/zinc/11/69/29/569116929.db2.gz UEQDGMWLLWXIGS-FQEVSTJZSA-N 0 0 430.936 2.847 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1ccc(F)cc1 ZINC000036549462 569117419 /nfs/dbraw/zinc/11/74/19/569117419.db2.gz OSZHONIIAPGUHY-UHFFFAOYSA-N 0 0 427.501 2.924 50 0 IFAARN CCN(CC)C(=O)NC1CCN(C(=O)c2ccccc2I)CC1 ZINC000169891529 569117510 /nfs/dbraw/zinc/11/75/10/569117510.db2.gz MMPUWZRSJPKQNK-UHFFFAOYSA-N 0 0 429.302 2.947 50 0 IFAARN CC[C@@H](NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1)c1ccc(OC)cc1 ZINC000065226796 569117956 /nfs/dbraw/zinc/11/79/56/569117956.db2.gz KDMHKYGZTJCENT-OAQYLSRUSA-N 0 0 439.560 2.806 50 0 IFAARN O=C(NCc1ccc(F)cc1Cl)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226693 569117989 /nfs/dbraw/zinc/11/79/89/569117989.db2.gz QBPUVJRNEVATOJ-UHFFFAOYSA-N 0 0 433.915 2.639 50 0 IFAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000036569599 569118305 /nfs/dbraw/zinc/11/83/05/569118305.db2.gz WKJPWCYMCSOQII-FXAWDEMLSA-N 0 0 438.509 2.989 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCSCC5)n4)ccn3n2)cc1 ZINC000065235861 569119303 /nfs/dbraw/zinc/11/93/03/569119303.db2.gz MUYPRBOSEXSNDY-UHFFFAOYSA-N 0 0 436.541 2.706 50 0 IFAARN O=C(NCc1ccc(F)cc1Cl)C1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000065237224 569119612 /nfs/dbraw/zinc/11/96/12/569119612.db2.gz JDFUBTHNIJEUFI-UHFFFAOYSA-N 0 0 433.915 2.639 50 0 IFAARN C=C1C(N2CCC(NC(=O)[C@H]3CCCO3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239231 569120230 /nfs/dbraw/zinc/12/02/30/569120230.db2.gz MMDTXWCNUKNQFV-LJQANCHMSA-N 0 0 431.558 2.536 50 0 IFAARN C=C1C(N2CCC(NC(=O)[C@H]3CCOC3)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000065239244 569120237 /nfs/dbraw/zinc/12/02/37/569120237.db2.gz JZSYFVXYAMSHFA-IBGZPJMESA-N 0 0 445.585 2.900 50 0 IFAARN C=C1C(N2CCCN(C(=O)[C@@H]3CCCO3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239272 569120336 /nfs/dbraw/zinc/12/03/36/569120336.db2.gz OHYBAIGCHOXDCX-KRWDZBQOSA-N 0 0 437.949 2.526 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1 ZINC000036589777 569121082 /nfs/dbraw/zinc/12/10/82/569121082.db2.gz YZMSVZYLPDOGCC-IRLDBZIGSA-N 0 0 434.496 2.860 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1 ZINC000036589776 569121102 /nfs/dbraw/zinc/12/11/02/569121102.db2.gz YZMSVZYLPDOGCC-IFMALSPDSA-N 0 0 434.496 2.860 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc2c(c1)OCO2 ZINC000036589769 569121193 /nfs/dbraw/zinc/12/11/93/569121193.db2.gz BNRCGFXRASFFRO-XMSQKQJNSA-N 0 0 448.479 2.580 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000036589717 569121201 /nfs/dbraw/zinc/12/12/01/569121201.db2.gz LIZJLMHXOZUDLM-OAQYLSRUSA-N 0 0 434.496 2.940 50 0 IFAARN C[C@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)Cn1ccc(C(F)(F)F)n1 ZINC000036614557 569122323 /nfs/dbraw/zinc/12/23/23/569122323.db2.gz BGHGEOSCFCNLOH-CYBMUJFWSA-N 0 0 430.452 2.643 50 0 IFAARN CC(=O)N1CCC(n2c(C)nc(C(=O)N3CCN(Cc4ccc(C)cc4)CC3)c2C)CC1 ZINC000065257391 569123320 /nfs/dbraw/zinc/12/33/20/569123320.db2.gz QVWPBLICEHPSQC-UHFFFAOYSA-N 0 0 437.588 2.950 50 0 IFAARN Cn1ncc2c1nc(C(=O)N1CCN(c3ccc(Cl)cc3)CC1)nc2N1CCCCC1 ZINC000065257151 569123402 /nfs/dbraw/zinc/12/34/02/569123402.db2.gz QAVKDUVNLKQJSS-UHFFFAOYSA-N 0 0 439.951 2.969 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3scnc3C)c(=O)n2[C@@H]1c1cccs1 ZINC000036612255 569123565 /nfs/dbraw/zinc/12/35/65/569123565.db2.gz UNBDQWSVGTVKJB-FCONWMNKSA-N 0 0 431.564 2.625 50 0 IFAARN COC(=O)C[C@@H](NC(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1)c1ccccc1 ZINC000065260222 569125049 /nfs/dbraw/zinc/12/50/49/569125049.db2.gz BOHCRYIFIYFIFC-LJQANCHMSA-N 0 0 432.480 2.809 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1OC ZINC000013131023 569125424 /nfs/dbraw/zinc/12/54/24/569125424.db2.gz BOAAADVOHAQXOF-UHFFFAOYSA-N 0 0 447.948 2.781 50 0 IFAARN O=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCCc1ccc(Cl)cc1 ZINC000013133744 569125554 /nfs/dbraw/zinc/12/55/54/569125554.db2.gz ZDWBLBPQJRUNSJ-UHFFFAOYSA-N 0 0 442.730 2.852 50 0 IFAARN COc1cc(C(=O)OCC(=O)N(C)C[C@H]2COc3ccccc3O2)ccc1OC(F)F ZINC000013158103 569125765 /nfs/dbraw/zinc/12/57/65/569125765.db2.gz RSZHJHFYLOSQFL-AWEZNQCLSA-N 0 0 437.395 2.752 50 0 IFAARN CCN(CCNC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1)c1cccc(C)c1 ZINC000036622053 569126498 /nfs/dbraw/zinc/12/64/98/569126498.db2.gz CPNMWSGPDWDWRO-UHFFFAOYSA-N 0 0 431.558 2.509 50 0 IFAARN CSCC[C@@H](C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524732386 569126854 /nfs/dbraw/zinc/12/68/54/569126854.db2.gz XWKIEHVJDKOHKX-FXCLAUTBSA-N 0 0 431.558 2.550 50 0 IFAARN Cc1nccn1CC(=O)N1CC[C@]2(C1)NCc1ccccc1NC2=NCc1ccccc1 ZINC000065265859 569127258 /nfs/dbraw/zinc/12/72/58/569127258.db2.gz DFTYMPXUFXMYLE-RUZDIDTESA-N 0 0 428.540 2.786 50 0 IFAARN Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c1C ZINC000524734136 569127442 /nfs/dbraw/zinc/12/74/42/569127442.db2.gz AIBIVXJUQAHJCJ-UHFFFAOYSA-N 0 0 432.531 2.523 50 0 IFAARN CCn1c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2n2nccc2c1=O ZINC000065270745 569127576 /nfs/dbraw/zinc/12/75/76/569127576.db2.gz UITLZQDKESRRPZ-UHFFFAOYSA-N 0 0 431.496 2.640 50 0 IFAARN O=C(CC1(Cn2cccc2)CCCCC1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 ZINC000524733522 569127849 /nfs/dbraw/zinc/12/78/49/569127849.db2.gz RFAWDMCMZXUESR-UHFFFAOYSA-N 0 0 436.622 2.704 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1ccncc1 ZINC000524733762 569127914 /nfs/dbraw/zinc/12/79/14/569127914.db2.gz NPRHRJCZSJZSEB-QHCPKHFHSA-N 0 0 426.476 2.945 50 0 IFAARN COc1ccc(-c2nnc3ccc(SCC(=O)Nc4cc(C)no4)nn32)cc1OC ZINC000036638236 569128298 /nfs/dbraw/zinc/12/82/98/569128298.db2.gz LGTNDRIRZONUNG-UHFFFAOYSA-N 0 0 426.458 2.836 50 0 IFAARN C=C1C(N2CCCN(C(=O)NC3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065271937 569128804 /nfs/dbraw/zinc/12/88/04/569128804.db2.gz XHKHWLFJYKPDQF-UHFFFAOYSA-N 0 0 434.537 2.959 50 0 IFAARN C=C1C(N2CCCN(S(=O)(=O)c3ccccc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065272002 569128811 /nfs/dbraw/zinc/12/88/11/569128811.db2.gz ISYSHJCMSCZWBA-UHFFFAOYSA-N 0 0 445.566 2.556 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCCCc2ccccc2)CC3)CC1 ZINC000065273317 569129344 /nfs/dbraw/zinc/12/93/44/569129344.db2.gz LPIDJASPYMGOAL-IBGZPJMESA-N 0 0 426.586 2.666 50 0 IFAARN COc1cc(NC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc(OC)c1 ZINC000065273303 569129346 /nfs/dbraw/zinc/12/93/46/569129346.db2.gz DSSRVWFVGHQQOR-HNNXBMFYSA-N 0 0 444.557 2.572 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)c(C)c1 ZINC000065273408 569129445 /nfs/dbraw/zinc/12/94/45/569129445.db2.gz AQFHFJROUJSKQX-MRXNPFEDSA-N 0 0 428.558 2.872 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)c(OC)c1 ZINC000065273396 569129498 /nfs/dbraw/zinc/12/94/98/569129498.db2.gz TZJTWXUGBQCXNQ-OAHLLOKOSA-N 0 0 444.557 2.572 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2cc(F)ccc2F)CC3)CC1 ZINC000065273428 569129514 /nfs/dbraw/zinc/12/95/14/569129514.db2.gz WYSRVRRTFSAAPQ-CQSZACIVSA-N 0 0 434.512 2.511 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2ccccc2F)CC3)CC1 ZINC000065273534 569129741 /nfs/dbraw/zinc/12/97/41/569129741.db2.gz TXHJUGVCUJZFAP-OAHLLOKOSA-N 0 0 430.549 2.762 50 0 IFAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCCc2cccs2)CC3)CC1 ZINC000065273672 569130017 /nfs/dbraw/zinc/13/00/17/569130017.db2.gz LODQSIBKOHVFEE-MRXNPFEDSA-N 0 0 446.642 2.973 50 0 IFAARN CC1CCN(C(=O)[C@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)CC1 ZINC000065273711 569130032 /nfs/dbraw/zinc/13/00/32/569130032.db2.gz ZWFTWSTYIYXPLK-SFHVURJKSA-N 0 0 430.618 2.955 50 0 IFAARN COc1ccccc1OCCNC(=O)c1nc2csc(C)c2c(N2CCOCC2)n1 ZINC000065283307 569130080 /nfs/dbraw/zinc/13/00/80/569130080.db2.gz IBUNVTGXQYWCCW-UHFFFAOYSA-N 0 0 428.514 2.654 50 0 IFAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1)Nc1ccccc1Cl ZINC000065295657 569131512 /nfs/dbraw/zinc/13/15/12/569131512.db2.gz YPDXHJHTFWURKZ-UHFFFAOYSA-N 0 0 448.918 2.840 50 0 IFAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1)Nc1cccc(Cl)c1 ZINC000065295660 569131513 /nfs/dbraw/zinc/13/15/13/569131513.db2.gz LEMAAMCROWJZOS-UHFFFAOYSA-N 0 0 448.918 2.840 50 0 IFAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1)Nc1ccc(Cl)cc1 ZINC000065295662 569131520 /nfs/dbraw/zinc/13/15/20/569131520.db2.gz KWDCLNJXESUIBQ-UHFFFAOYSA-N 0 0 448.918 2.840 50 0 IFAARN CC(=O)Nc1nsc(N2CCC[C@@H](C(=O)N3CCN(c4cc(C)ccc4C)CC3)C2)n1 ZINC000065307693 569132518 /nfs/dbraw/zinc/13/25/18/569132518.db2.gz QYRAOBHAGQBHCG-GOSISDBHSA-N 0 0 442.589 2.679 50 0 IFAARN CC(C)CCn1c2nn(CC(=O)N(C)c3ccccc3)c(=O)n2c2ccsc2c1=O ZINC000065305202 569133035 /nfs/dbraw/zinc/13/30/35/569133035.db2.gz OEXLYLRLTFXJHX-UHFFFAOYSA-N 0 0 425.514 2.582 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccc(C(C)=O)cc3)c(=O)n2c2ccsc2c1=O ZINC000065305354 569133201 /nfs/dbraw/zinc/13/32/01/569133201.db2.gz MVUBZYRNXDICRF-UHFFFAOYSA-N 0 0 439.497 2.514 50 0 IFAARN C[C@@H](NC(=O)c1ccc(CN2CCN(Cc3ccccn3)C(=O)C2=O)cc1)c1ccccc1 ZINC000065306519 569133414 /nfs/dbraw/zinc/13/34/14/569133414.db2.gz MDGFLPDDMHLYEM-LJQANCHMSA-N 0 0 442.519 2.944 50 0 IFAARN CCCc1cc(N2CCN(C(=O)c3cccnc3SC)CC2)nc2nnc(CC)n21 ZINC000065311991 569133611 /nfs/dbraw/zinc/13/36/11/569133611.db2.gz SEMHWLFKXOLDAY-UHFFFAOYSA-N 0 0 425.562 2.719 50 0 IFAARN CCc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nc2nnc(C)n21 ZINC000065311918 569133664 /nfs/dbraw/zinc/13/36/64/569133664.db2.gz HMQZOJNFMINOTB-UHFFFAOYSA-N 0 0 429.322 2.720 50 0 IFAARN CCOc1cccc2sc(N(Cc3ccccn3)C(=O)CN(C)S(C)(=O)=O)nc21 ZINC000036691752 569133904 /nfs/dbraw/zinc/13/39/04/569133904.db2.gz XRUQFYQAHGONFC-UHFFFAOYSA-N 0 0 434.543 2.515 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Cc4noc5ccccc54)CC3)nc(C)n2)n1 ZINC000036705452 569134403 /nfs/dbraw/zinc/13/44/03/569134403.db2.gz CEKIFRNXPDTVDB-UHFFFAOYSA-N 0 0 431.500 2.620 50 0 IFAARN Cc1nc(C)c(C(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)s1 ZINC000036704992 569134417 /nfs/dbraw/zinc/13/44/17/569134417.db2.gz FQUDRSBZNPFQHM-UHFFFAOYSA-N 0 0 436.584 2.736 50 0 IFAARN O=C(NCc1cccnc1)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 ZINC000065319224 569134817 /nfs/dbraw/zinc/13/48/17/569134817.db2.gz IAOTVURWBQKTEW-UHFFFAOYSA-N 0 0 441.513 2.626 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)c(OC)c1 ZINC000065312934 569134959 /nfs/dbraw/zinc/13/49/59/569134959.db2.gz KKUPFWAVJRTUBS-OAHLLOKOSA-N 0 0 429.908 2.933 50 0 IFAARN O=C(NCCOc1ccc(F)cc1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000036708454 569135918 /nfs/dbraw/zinc/13/59/18/569135918.db2.gz BQFVTASZGHWNQL-HNNXBMFYSA-N 0 0 449.529 2.919 50 0 IFAARN Cc1csc(NC(=O)c2cc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)on2)n1 ZINC000065330465 569137096 /nfs/dbraw/zinc/13/70/96/569137096.db2.gz XPYHCUKAAYTQQL-UHFFFAOYSA-N 0 0 448.526 2.688 50 0 IFAARN O=C(CN1CCN(c2ccccc2)C1=O)N1CC[C@H](Oc2ncccc2Br)C1 ZINC000238821014 569137208 /nfs/dbraw/zinc/13/72/08/569137208.db2.gz CQRPUWTUSDEQSL-INIZCTEOSA-N 0 0 445.317 2.766 50 0 IFAARN Cc1c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)nnn1-c1ccc(F)cc1 ZINC000238875269 569137651 /nfs/dbraw/zinc/13/76/51/569137651.db2.gz NWQSLCOHGTXJKV-UHFFFAOYSA-N 0 0 448.458 2.608 50 0 IFAARN CC(C)CN(C(=O)c1cnc(Cl)c(Cl)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000036799712 569138051 /nfs/dbraw/zinc/13/80/51/569138051.db2.gz KJJXVRIRVQUKDP-UHFFFAOYSA-N 0 0 428.320 2.779 50 0 IFAARN CCCCn1c2ncn(CCC(C)C)c2c(=O)n(CC(=O)N[C@@H]2CCCC[C@@H]2C)c1=O ZINC000007212878 569138176 /nfs/dbraw/zinc/13/81/76/569138176.db2.gz OIBCSXZHPQHEKO-ZWKOTPCHSA-N 0 0 431.581 2.901 50 0 IFAARN O=C1COc2ccc(Cl)cc2CN1CCNS(=O)(=O)c1cccc2cccnc21 ZINC000238968872 569138275 /nfs/dbraw/zinc/13/82/75/569138275.db2.gz ZFFWANYWEMYVLR-UHFFFAOYSA-N 0 0 431.901 2.588 50 0 IFAARN COc1cc2c(cc1OC)n(CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)n1c2nc(=O)cc1C ZINC000239403312 569139164 /nfs/dbraw/zinc/13/91/64/569139164.db2.gz RSWNBAOCGLPMLX-YSVLISHTSA-N 0 0 426.517 2.916 50 0 IFAARN C[C@H](C(=O)N1CCc2ccccc21)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000170593429 569141255 /nfs/dbraw/zinc/14/12/55/569141255.db2.gz UIQYFFPKDCLTGM-BWKNWUBXSA-N 0 0 446.595 2.773 50 0 IFAARN Cc1ccc(NC2=N[C@@]3(c4ccccc4NC3=O)n3c(nc4c3=Nc3ccccc3-4)=N2)cc1 ZINC000009668946 569141298 /nfs/dbraw/zinc/14/12/98/569141298.db2.gz BKRMHZJFEPTTRM-VWLOTQADSA-N 0 0 431.459 2.878 50 0 IFAARN CN(C)C(=O)CCOC(=O)c1cc(I)ccc1Br ZINC000170593430 569141321 /nfs/dbraw/zinc/14/13/21/569141321.db2.gz COMHCZQKNBFWEW-UHFFFAOYSA-N 0 0 426.048 2.689 50 0 IFAARN CC[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000170595566 569141778 /nfs/dbraw/zinc/14/17/78/569141778.db2.gz BSWDYLNYWCIHLZ-GAJHUEQPSA-N 0 0 427.501 2.622 50 0 IFAARN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000170596857 569141881 /nfs/dbraw/zinc/14/18/81/569141881.db2.gz MBRLCTOYRQEFIV-DOTOQJQBSA-N 0 0 439.478 2.960 50 0 IFAARN Cc1ccc(Br)c2c1C(C)(C)CN2S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000170597922 569142277 /nfs/dbraw/zinc/14/22/77/569142277.db2.gz RDISHVXORJTAQV-UHFFFAOYSA-N 0 0 426.336 2.681 50 0 IFAARN CCN(CC)C(=O)c1cccc(NC(=O)CN2CCN(c3cc(C4(C)CC4)[nH]n3)CC2)c1 ZINC000170599796 569142573 /nfs/dbraw/zinc/14/25/73/569142573.db2.gz LQBPQANFPKEIEQ-UHFFFAOYSA-N 0 0 438.576 2.704 50 0 IFAARN COc1ccc(NC(=O)CN2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)cc1 ZINC000170599765 569142623 /nfs/dbraw/zinc/14/26/23/569142623.db2.gz STMRLLYXWYNMLO-GOSISDBHSA-N 0 0 448.564 2.519 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C2(CC2)C1=O)Nc1ccc(I)cc1 ZINC000170600448 569142780 /nfs/dbraw/zinc/14/27/80/569142780.db2.gz GUYSLXSAUBHKTK-UHFFFAOYSA-N 0 0 446.244 2.944 50 0 IFAARN CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCCc2nc(-c3ccco3)n[nH]2)C1(C)C ZINC000170602260 569143443 /nfs/dbraw/zinc/14/34/43/569143443.db2.gz NZBIDGBQSKLTTQ-OYHNWAKOSA-N 0 0 447.536 2.822 50 0 IFAARN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCCc2nc(-c3ccco3)n[nH]2)C1(C)C ZINC000170602259 569143459 /nfs/dbraw/zinc/14/34/59/569143459.db2.gz NZBIDGBQSKLTTQ-IVZQSRNASA-N 0 0 447.536 2.822 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)CN2CCOc3ccc(Br)cc32)cc1 ZINC000170604693 569143569 /nfs/dbraw/zinc/14/35/69/569143569.db2.gz ZXTCKFUQQFBGTE-UHFFFAOYSA-N 0 0 425.304 2.690 50 0 IFAARN C[C@@H]1CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)C[C@@H](CO)O1 ZINC000170605404 569143774 /nfs/dbraw/zinc/14/37/74/569143774.db2.gz KITKWQVHDWWQRL-KOLCDFICSA-N 0 0 438.328 2.527 50 0 IFAARN CCOC(=O)[C@@H](c1ccc(Br)cc1)N(CCCNS(C)(=O)=O)C(C)C ZINC000170607234 569144199 /nfs/dbraw/zinc/14/41/99/569144199.db2.gz RMUOQIJCVSOFKW-MRXNPFEDSA-N 0 0 435.384 2.703 50 0 IFAARN COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Br)[nH]c2=O)cc1 ZINC000170611642 569145103 /nfs/dbraw/zinc/14/51/03/569145103.db2.gz XHQDFMWNXMPKAB-UHFFFAOYSA-N 0 0 436.291 2.870 50 0 IFAARN O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000170611399 569145196 /nfs/dbraw/zinc/14/51/96/569145196.db2.gz VKIDCGRUGIVLQY-UHFFFAOYSA-N 0 0 442.479 2.839 50 0 IFAARN C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2ccc([Si](C)(C)C)cc2)C1=O ZINC000170613010 569146150 /nfs/dbraw/zinc/14/61/50/569146150.db2.gz LAUSPKKYSRWRNS-NRFANRHFSA-N 0 0 430.602 2.603 50 0 IFAARN CCOC(=O)c1ncsc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000170617602 569146915 /nfs/dbraw/zinc/14/69/15/569146915.db2.gz CCQUFCWNRJIZDX-UHFFFAOYSA-N 0 0 437.543 2.676 50 0 IFAARN CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000170626262 569148628 /nfs/dbraw/zinc/14/86/28/569148628.db2.gz AWRRCMYRWOYSCI-OAHLLOKOSA-N 0 0 438.347 2.578 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OS(=O)(=O)c1cccc(C)c1 ZINC000009761584 569149127 /nfs/dbraw/zinc/14/91/27/569149127.db2.gz ILLQHQPREJQJLW-UHFFFAOYSA-N 0 0 428.466 2.794 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(C)cc1C ZINC000009761597 569149142 /nfs/dbraw/zinc/14/91/42/569149142.db2.gz PSYYKVJKYFMFLP-UHFFFAOYSA-N 0 0 428.466 2.794 50 0 IFAARN COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c2ccccc12 ZINC000010024055 569151397 /nfs/dbraw/zinc/15/13/97/569151397.db2.gz PQQZVYTZQOZHTK-UHFFFAOYSA-N 0 0 446.550 2.861 50 0 IFAARN COC(=O)c1ccc([C@H]2NC(=O)N(CCC(C)C)C(C)=C2C(=O)N2CCOCC2)cc1 ZINC000010027041 569151698 /nfs/dbraw/zinc/15/16/98/569151698.db2.gz UOXMQLDWHRQEFL-HXUWFJFHSA-N 0 0 429.517 2.718 50 0 IFAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 ZINC000010029384 569151912 /nfs/dbraw/zinc/15/19/12/569151912.db2.gz OFMBLQBKERVJBB-UHFFFAOYSA-N 0 0 436.555 2.927 50 0 IFAARN COCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 ZINC000010119449 569152650 /nfs/dbraw/zinc/15/26/50/569152650.db2.gz RMJOXGQPLXWLKA-UHFFFAOYSA-N 0 0 439.331 2.577 50 0 IFAARN CCCN(CC(=O)Nc1ccc2c(c1)CCN2C(C)=O)Cc1nc2ccsc2c(=O)[nH]1 ZINC000010089444 569152744 /nfs/dbraw/zinc/15/27/44/569152744.db2.gz ZNKPYWRMWPRIEO-UHFFFAOYSA-N 0 0 439.541 2.744 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)COc1coc(CSc2nncn2C)cc1=O ZINC000010220392 569152923 /nfs/dbraw/zinc/15/29/23/569152923.db2.gz VKNDNAWQHJWGIH-UHFFFAOYSA-N 0 0 436.877 2.740 50 0 IFAARN Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccc4c(c2)OCO4)CSC3)c1 ZINC000010220914 569153041 /nfs/dbraw/zinc/15/30/41/569153041.db2.gz CPSADTUZUGOEOQ-UHFFFAOYSA-N 0 0 436.493 2.911 50 0 IFAARN COc1cn(CC(=O)Nc2ccc(NC(C)=O)cc2)c(CSc2ncccn2)cc1=O ZINC000010254939 569153941 /nfs/dbraw/zinc/15/39/41/569153941.db2.gz HCIXIOKDJVFLAS-UHFFFAOYSA-N 0 0 439.497 2.536 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(C[C@H]3CCCO3)c3c2CCC3)c1 ZINC000010255277 569154111 /nfs/dbraw/zinc/15/41/11/569154111.db2.gz BTDJEUPRYZNROX-QGZVFWFLSA-N 0 0 442.541 2.600 50 0 IFAARN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000071795565 569154318 /nfs/dbraw/zinc/15/43/18/569154318.db2.gz OGCSMXUQZVYCQB-NRFANRHFSA-N 0 0 442.928 2.844 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)Nc2nonc2C)c1 ZINC000071793591 569154330 /nfs/dbraw/zinc/15/43/30/569154330.db2.gz IOFZMTVHDWVIQO-UHFFFAOYSA-N 0 0 435.550 2.897 50 0 IFAARN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc2c(c1)OCO2 ZINC000013572843 569155662 /nfs/dbraw/zinc/15/56/62/569155662.db2.gz OQOOMCLYNQYSQQ-HIFRSBDPSA-N 0 0 428.535 2.897 50 0 IFAARN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1CCc2ccccc21 ZINC000013572486 569155673 /nfs/dbraw/zinc/15/56/73/569155673.db2.gz RRIHNRJBZZPTHP-WBVHZDCISA-N 0 0 425.579 2.875 50 0 IFAARN COc1cc(C(C)=O)ccc1OCC(=O)NCCn1nc(-c2ccc(C)cc2)ccc1=O ZINC000013602834 569156295 /nfs/dbraw/zinc/15/62/95/569156295.db2.gz DXYBKWJNNHYVTG-UHFFFAOYSA-N 0 0 435.480 2.625 50 0 IFAARN COc1cc(OC)c(OC)cc1CNC(=O)CCc1c(C)nc2nc(=S)[nH]n2c1C ZINC000014200497 569158044 /nfs/dbraw/zinc/15/80/44/569158044.db2.gz CDAQKGNVQHOEEG-UHFFFAOYSA-N 0 0 431.518 2.679 50 0 IFAARN COc1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1S(=O)(=O)N(C)C ZINC000014252354 569158385 /nfs/dbraw/zinc/15/83/85/569158385.db2.gz BMWFZHFPJFDONS-LJQANCHMSA-N 0 0 443.525 2.848 50 0 IFAARN COc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1S(=O)(=O)N(C)C ZINC000014252351 569158421 /nfs/dbraw/zinc/15/84/21/569158421.db2.gz BMWFZHFPJFDONS-IBGZPJMESA-N 0 0 443.525 2.848 50 0 IFAARN C[C@H](C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1c2ccccc2oc1=O ZINC000014308967 569158541 /nfs/dbraw/zinc/15/85/41/569158541.db2.gz KFMVYOXDSCHBLB-MRXNPFEDSA-N 0 0 443.525 2.647 50 0 IFAARN COc1cc(OC)c(OC)cc1CNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000014523284 569159171 /nfs/dbraw/zinc/15/91/71/569159171.db2.gz MDRSENHAPWUKEX-UHFFFAOYSA-N 0 0 425.441 2.804 50 0 IFAARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000014574510 569159300 /nfs/dbraw/zinc/15/93/00/569159300.db2.gz CFUAPFMZRLYIIQ-KBPBESRZSA-N 0 0 435.406 2.790 50 0 IFAARN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(Cl)nn4)CC3)C2)cc1 ZINC000089629630 569160105 /nfs/dbraw/zinc/16/01/05/569160105.db2.gz WHVGBVQOHPLTBH-GOSISDBHSA-N 0 0 427.936 2.639 50 0 IFAARN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1Cl ZINC000016737661 569160608 /nfs/dbraw/zinc/16/06/08/569160608.db2.gz BGKOKDSUUWOIFA-UHFFFAOYSA-N 0 0 448.416 2.929 50 0 IFAARN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000089780636 569162902 /nfs/dbraw/zinc/16/29/02/569162902.db2.gz LCZLIVAZNOPFTE-UHFFFAOYSA-N 0 0 446.345 2.619 50 0 IFAARN COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1OC ZINC000016845650 569163883 /nfs/dbraw/zinc/16/38/83/569163883.db2.gz DEXXIRPMYCHLEG-UHFFFAOYSA-N 0 0 434.408 2.755 50 0 IFAARN O=C(NCCCS(=O)(=O)N1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000016849352 569164577 /nfs/dbraw/zinc/16/45/77/569164577.db2.gz XBXNFPRIKWZQJR-UHFFFAOYSA-N 0 0 427.320 2.550 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(Nc3ccc(F)cc3)n2)cc1 ZINC000016850206 569164633 /nfs/dbraw/zinc/16/46/33/569164633.db2.gz AJAUHVPXAVEZDH-UHFFFAOYSA-N 0 0 434.518 2.575 50 0 IFAARN Cc1nn(-c2nc(C)cc(=O)[nH]2)c(C)c1CCC(=O)NCc1cc(-c2ccccc2)on1 ZINC000016849718 569164661 /nfs/dbraw/zinc/16/46/61/569164661.db2.gz UGKPUJIJLARXDD-UHFFFAOYSA-N 0 0 432.484 2.785 50 0 IFAARN CNC(=O)Cn1ccc2ccc(NC(=O)CCC(=O)Nc3nnc(CC(C)C)s3)cc21 ZINC000089856609 569166312 /nfs/dbraw/zinc/16/63/12/569166312.db2.gz XASKBTOCXUKPAZ-UHFFFAOYSA-N 0 0 442.545 2.795 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000089866609 569166386 /nfs/dbraw/zinc/16/63/86/569166386.db2.gz SOYJQOBZMDHCGZ-UHFFFAOYSA-N 0 0 447.944 2.815 50 0 IFAARN O=C(Cn1ncc2ccccc21)N(C1CC1)[C@@H]1CCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000089873285 569166588 /nfs/dbraw/zinc/16/65/88/569166588.db2.gz DLMIMBNIHBLANP-OAQYLSRUSA-N 0 0 442.523 2.678 50 0 IFAARN CNC(=O)Cn1ccc2ccc(NC(=O)CCC(=O)Nc3nnc(C(C)C)s3)cc21 ZINC000089893812 569166934 /nfs/dbraw/zinc/16/69/34/569166934.db2.gz VHLLGNLTBAEZLF-UHFFFAOYSA-N 0 0 428.518 2.720 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)c1ccc([S@](C)=O)cc1 ZINC000089904874 569167044 /nfs/dbraw/zinc/16/70/44/569167044.db2.gz JISNVGFEPRTYPA-QIVNZJGZSA-N 0 0 434.558 2.583 50 0 IFAARN COc1ccc([C@H](CNC(=O)CCC(=O)N[C@@H](C)c2ccccc2)N2CCOCC2)cc1 ZINC000089905548 569167138 /nfs/dbraw/zinc/16/71/38/569167138.db2.gz NHDAVPBWXWQGCW-CVDCTZTESA-N 0 0 439.556 2.842 50 0 IFAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2cccc(N3CCCC3=O)c2)C1=O ZINC000089914329 569167486 /nfs/dbraw/zinc/16/74/86/569167486.db2.gz FUCUXVZZLZKRNA-VWLOTQADSA-N 0 0 446.507 2.708 50 0 IFAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2cccc(N3CCCC3=O)c2)C1=O ZINC000089914330 569167534 /nfs/dbraw/zinc/16/75/34/569167534.db2.gz FUCUXVZZLZKRNA-RUZDIDTESA-N 0 0 446.507 2.708 50 0 IFAARN COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000089919282 569167576 /nfs/dbraw/zinc/16/75/76/569167576.db2.gz WNSCZWSGMRWXFJ-OXQOHEQNSA-N 0 0 442.965 2.976 50 0 IFAARN COc1ccc(CCn2c(=O)c3ncccc3n(CC(=O)c3ccccc3)c2=O)cc1OC ZINC000016959891 569168109 /nfs/dbraw/zinc/16/81/09/569168109.db2.gz FDXXVHVFGUHJDF-UHFFFAOYSA-N 0 0 445.475 2.701 50 0 IFAARN COc1cccc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc32)c1 ZINC000016960395 569168127 /nfs/dbraw/zinc/16/81/27/569168127.db2.gz LLQUVIXCPRTTMM-UHFFFAOYSA-N 0 0 434.496 2.963 50 0 IFAARN COc1cccc(-n2nnc3c2ncn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c3=O)c1 ZINC000016960695 569168208 /nfs/dbraw/zinc/16/82/08/569168208.db2.gz RVVBUJFIDGODLV-UHFFFAOYSA-N 0 0 444.373 2.643 50 0 IFAARN O=C(c1cccc(Br)c1)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000016964255 569168255 /nfs/dbraw/zinc/16/82/55/569168255.db2.gz ABVZMWKBIIVSNQ-SFHVURJKSA-N 0 0 431.286 2.716 50 0 IFAARN CCCCn1c2nc(COC(=O)c3cncc(OC(C)C)c3)n(CCC)c2c(=O)[nH]c1=O ZINC000089955451 569168827 /nfs/dbraw/zinc/16/88/27/569168827.db2.gz IUQNMVBNHXMDME-UHFFFAOYSA-N 0 0 443.504 2.636 50 0 IFAARN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(SCCC(=O)OC)c1 ZINC000089960377 569169123 /nfs/dbraw/zinc/16/91/23/569169123.db2.gz KBFYTMAPFFPXOS-QGZVFWFLSA-N 0 0 428.576 2.875 50 0 IFAARN CCN(C(C)=O)c1nc(CN2CCN(Cc3nc(-c4cccs4)no3)CC2)cs1 ZINC000089977096 569169371 /nfs/dbraw/zinc/16/93/71/569169371.db2.gz OOMYVFSLPBOAAB-UHFFFAOYSA-N 0 0 432.575 2.945 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n(-c2cc(C)cc(C)c2)c1=O ZINC000016995668 569169977 /nfs/dbraw/zinc/16/99/77/569169977.db2.gz LHSYNZZXBRZZNR-OAQYLSRUSA-N 0 0 432.480 2.573 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCCc2ccco2)c2cccs2)cc1 ZINC000017043180 569171370 /nfs/dbraw/zinc/17/13/70/569171370.db2.gz MLHRGBKFRAAFHL-LJQANCHMSA-N 0 0 446.550 2.640 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccccc2C)c2ccco2)cc1 ZINC000017043260 569171391 /nfs/dbraw/zinc/17/13/91/569171391.db2.gz CEWKOVMPGKFISH-NRFANRHFSA-N 0 0 440.521 2.844 50 0 IFAARN O=C(NCc1ccco1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000017045048 569171632 /nfs/dbraw/zinc/17/16/32/569171632.db2.gz HUIQEZPEAKRUCY-BJKOFHAPSA-N 0 0 442.519 2.819 50 0 IFAARN CC(C)CNC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017113225 569174150 /nfs/dbraw/zinc/17/41/50/569174150.db2.gz PZYVMPKMICSIEQ-MRXNPFEDSA-N 0 0 428.963 2.805 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000017135839 569174494 /nfs/dbraw/zinc/17/44/94/569174494.db2.gz PJOQXJPHBJUWGQ-UHFFFAOYSA-N 0 0 430.526 2.657 50 0 IFAARN O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000017169737 569175305 /nfs/dbraw/zinc/17/53/05/569175305.db2.gz WTXCJYAXYWNEBC-IBGZPJMESA-N 0 0 448.447 2.505 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1C ZINC000001050693 569176432 /nfs/dbraw/zinc/17/64/32/569176432.db2.gz QHTNILFSMCDUDU-UHFFFAOYSA-N 0 0 446.525 2.814 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000001059348 569176531 /nfs/dbraw/zinc/17/65/31/569176531.db2.gz BOPMYZDUOQWVPV-UHFFFAOYSA-N 0 0 428.869 2.518 50 0 IFAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)NC[C@@H]1CCCO1 ZINC000002873742 569177569 /nfs/dbraw/zinc/17/75/69/569177569.db2.gz QTCADUVUTPBDGM-ZDUSSCGKSA-N 0 0 445.566 2.975 50 0 IFAARN CC(C)(C)OC(=O)N1CC[C@@H](CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000170639671 569179646 /nfs/dbraw/zinc/17/96/46/569179646.db2.gz JAUPRGDLZNQHMI-INIZCTEOSA-N 0 0 443.997 2.903 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000170640639 569181349 /nfs/dbraw/zinc/18/13/49/569181349.db2.gz IKFUBWXGKKFPRJ-BTDLBPIBSA-N 0 0 426.416 2.878 50 0 IFAARN CC(=O)N1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037360333 569181470 /nfs/dbraw/zinc/18/14/70/569181470.db2.gz LIDXITDAZWQCLZ-UHFFFAOYSA-N 0 0 445.502 2.931 50 0 IFAARN CN(C)C(=O)Cn1c(-c2ccc(O)c(C(N)=O)c2)csc1=Nc1ccc(F)cc1F ZINC000252452821 569184196 /nfs/dbraw/zinc/18/41/96/569184196.db2.gz GLVCHXNQPTUVLZ-UHFFFAOYSA-N 0 0 432.452 2.620 50 0 IFAARN CCOc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2C)nn1 ZINC000252457458 569184264 /nfs/dbraw/zinc/18/42/64/569184264.db2.gz KNWHDBLCINMCFZ-GZOSKZMVSA-N 0 0 429.521 2.856 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)c1ccc([S@](C)=O)cc1 ZINC000252477167 569185729 /nfs/dbraw/zinc/18/57/29/569185729.db2.gz JISNVGFEPRTYPA-STVZJEGHSA-N 0 0 434.558 2.583 50 0 IFAARN C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)c1nnc2ccccn21 ZINC000252483480 569186557 /nfs/dbraw/zinc/18/65/57/569186557.db2.gz FCGOSRMZNCRWLG-CJNGLKHVSA-N 0 0 440.891 2.665 50 0 IFAARN Cn1cc(C(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)c(-c2cccs2)cc1=O ZINC000252494376 569187827 /nfs/dbraw/zinc/18/78/27/569187827.db2.gz NUCDCYVFZOXJME-UHFFFAOYSA-N 0 0 447.520 2.981 50 0 IFAARN Cc1c(C)n(-c2ccccc2N)c2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n12 ZINC000010233675 569188298 /nfs/dbraw/zinc/18/82/98/569188298.db2.gz UAUDJJFLPVTVDS-UHFFFAOYSA-N 0 0 428.496 2.694 50 0 IFAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(c2ncc(F)cn2)CC1 ZINC000252508026 569188326 /nfs/dbraw/zinc/18/83/26/569188326.db2.gz XAPVDXZIQAKWHV-UHFFFAOYSA-N 0 0 432.443 2.971 50 0 IFAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)COC)CC2)n1 ZINC000037379328 569189017 /nfs/dbraw/zinc/18/90/17/569189017.db2.gz YXKFGHFPDKISIR-UHFFFAOYSA-N 0 0 426.496 2.511 50 0 IFAARN CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252515656 569189201 /nfs/dbraw/zinc/18/92/01/569189201.db2.gz MKLVKBUBLCQRRR-CSMYWGQOSA-N 0 0 427.314 2.980 50 0 IFAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCCc1nc(-c2ccccc2)no1 ZINC000252533154 569189795 /nfs/dbraw/zinc/18/97/95/569189795.db2.gz FZUPVNNFJKRJCO-GOSISDBHSA-N 0 0 433.468 2.966 50 0 IFAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 ZINC000027326873 569190393 /nfs/dbraw/zinc/19/03/93/569190393.db2.gz XXHVVEPFYFXQIS-UHFFFAOYSA-N 0 0 449.916 2.776 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CC[C@H]1NC(=O)N(Cc3ccccc3)C1=O)CC2 ZINC000252552041 569191092 /nfs/dbraw/zinc/19/10/92/569191092.db2.gz UMSWYBGFQAHDBW-LJQANCHMSA-N 0 0 437.496 2.694 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000002196240 569191328 /nfs/dbraw/zinc/19/13/28/569191328.db2.gz JPIWEYDYKWSXRG-DOTOQJQBSA-N 0 0 430.888 2.857 50 0 IFAARN Cc1cccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)NCc3cccnc3)c2=O)c1 ZINC000037400009 569194768 /nfs/dbraw/zinc/19/47/68/569194768.db2.gz WEARQFVLDLNRPV-UHFFFAOYSA-N 0 0 434.883 2.826 50 0 IFAARN COCC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(OC)cc2)c1)C(C)C ZINC000037400332 569194958 /nfs/dbraw/zinc/19/49/58/569194958.db2.gz DQFMSWHKQAMEMG-UHFFFAOYSA-N 0 0 437.514 2.855 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CN2CCC(n3c4ccccc4[nH]c3=O)CC2)n1 ZINC000037406128 569195215 /nfs/dbraw/zinc/19/52/15/569195215.db2.gz QKSXFQURWYYECP-UHFFFAOYSA-N 0 0 430.516 2.986 50 0 IFAARN COCCNC(=O)c1ccc(Cn2c(C)c(C)s/c2=N\C(=O)c2cccc(OC)c2)o1 ZINC000037436524 569196230 /nfs/dbraw/zinc/19/62/30/569196230.db2.gz NVDWMZWGKUIJOJ-GYHWCHFESA-N 0 0 443.525 2.934 50 0 IFAARN COc1cccc(OCC(=O)c2ccc3c(c2)N([C@H](C)C(=O)NCC2CC2)C(=O)CO3)c1 ZINC000037511742 569197958 /nfs/dbraw/zinc/19/79/58/569197958.db2.gz ILVFOPCEALRVIO-OAHLLOKOSA-N 0 0 438.480 2.597 50 0 IFAARN COCCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccccc3C(C)C)cc21 ZINC000037513062 569198148 /nfs/dbraw/zinc/19/81/48/569198148.db2.gz JXAOAWASROEUOQ-UHFFFAOYSA-N 0 0 440.496 2.560 50 0 IFAARN CCn1c(=O)c2c(ncn2Cc2ccc(C(=O)OC)cc2)n(-c2cccc(Cl)c2)c1=O ZINC000037558539 569200537 /nfs/dbraw/zinc/20/05/37/569200537.db2.gz UQIHRPQGQKKFFO-UHFFFAOYSA-N 0 0 438.871 2.857 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Br)cc3F)C2=O)C1 ZINC000037572693 569201223 /nfs/dbraw/zinc/20/12/23/569201223.db2.gz SPXQQEJCXTYCLU-JSGCOSHPSA-N 0 0 441.297 2.743 50 0 IFAARN C[C@@H](NC(=O)CNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)c1ccccc1 ZINC000037578470 569201545 /nfs/dbraw/zinc/20/15/45/569201545.db2.gz HKOGAROLGSXILR-GOSISDBHSA-N 0 0 445.523 2.536 50 0 IFAARN C[C@H](NC(=O)CNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)c1ccccc1 ZINC000037578467 569201578 /nfs/dbraw/zinc/20/15/78/569201578.db2.gz HKOGAROLGSXILR-SFHVURJKSA-N 0 0 445.523 2.536 50 0 IFAARN CCN(CCC(=O)NC(C)C)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O ZINC000037579432 569201605 /nfs/dbraw/zinc/20/16/05/569201605.db2.gz RMECKUPVEUBKIE-UHFFFAOYSA-N 0 0 439.560 2.614 50 0 IFAARN c1ccc(N2CCN(Cc3nnc4sc(Cc5ccc6c(c5)OCCO6)nn34)CC2)cc1 ZINC000066088309 569205720 /nfs/dbraw/zinc/20/57/20/569205720.db2.gz MIWXRVYABKNWQB-UHFFFAOYSA-N 0 0 448.552 2.870 50 0 IFAARN C[C@@H]1CN(CC(=O)NC[C@H]2CCS(=O)(=O)C2)c2ccccc2N(Cc2ccccc2)C1 ZINC000252666093 569209559 /nfs/dbraw/zinc/20/95/59/569209559.db2.gz AMIVIOXLGKSOEE-PZJWPPBQSA-N 0 0 441.597 2.700 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000252675055 569210285 /nfs/dbraw/zinc/21/02/85/569210285.db2.gz SUIMLJWQUUJXNR-GOSISDBHSA-N 0 0 443.550 2.519 50 0 IFAARN CCOC(=O)c1c(NC(=O)CSc2nnc(C(F)(F)F)n2C)oc(C)c1C(C)=O ZINC000017710697 569210762 /nfs/dbraw/zinc/21/07/62/569210762.db2.gz ALGHRFQXVVLBQE-UHFFFAOYSA-N 0 0 434.396 2.845 50 0 IFAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(OC)c(OC)c3)N2C1=O ZINC000002246776 569214453 /nfs/dbraw/zinc/21/44/53/569214453.db2.gz HZXWPYLZVMCYFR-SJLPKXTDSA-N 0 0 434.514 2.932 50 0 IFAARN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)NC(C)(C)C)ccc1OCC)[nH]c2=O ZINC000002271538 569217524 /nfs/dbraw/zinc/21/75/24/569217524.db2.gz YYOZWOPBAQVJSP-UHFFFAOYSA-N 0 0 447.561 2.752 50 0 IFAARN CN(Cc1cccs1)Cc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)c(=O)[nH]1 ZINC000014879716 569256743 /nfs/dbraw/zinc/25/67/43/569256743.db2.gz WPDHTRBNFKGMSS-INIZCTEOSA-N 0 0 425.510 2.638 50 0 IFAARN O=C(NCCNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cccc(NC(=O)C2CC2)c1 ZINC000021684085 569257419 /nfs/dbraw/zinc/25/74/19/569257419.db2.gz HIDKQMCBWTYKPY-UHFFFAOYSA-N 0 0 439.896 2.536 50 0 IFAARN COC(=O)[C@@H](Cc1nc2cc(C)c(C)cc2[nH]c1=O)C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000033547769 569257675 /nfs/dbraw/zinc/25/76/75/569257675.db2.gz VHTQUHROYVLDPE-HNNXBMFYSA-N 0 0 441.871 2.733 50 0 IFAARN COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000068569342 569258604 /nfs/dbraw/zinc/25/86/04/569258604.db2.gz SYHUKNSTHJICMX-AJGBIIFTSA-N 0 0 438.605 2.508 50 0 IFAARN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)Nc1cccc(F)c1 ZINC000253387487 569264169 /nfs/dbraw/zinc/26/41/69/569264169.db2.gz XJBDZSPQTFKDCT-QAQDUYKDSA-N 0 0 447.532 2.665 50 0 IFAARN COc1ccc(CNC(=O)CCN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000253412212 569265900 /nfs/dbraw/zinc/26/59/00/569265900.db2.gz QFDIJQDMNLYOCS-UHFFFAOYSA-N 0 0 440.496 2.783 50 0 IFAARN COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1nnc([C@@H]3CCCO3)s1)C=C2 ZINC000253413967 569266086 /nfs/dbraw/zinc/26/60/86/569266086.db2.gz WCQJGQQJJJQMGN-HNNXBMFYSA-N 0 0 444.513 2.791 50 0 IFAARN C[C@H]([C@H](C)NC(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1)N1CCOCC1 ZINC000253420129 569266789 /nfs/dbraw/zinc/26/67/89/569266789.db2.gz FWAPOQRISJRFJB-YRNRMSPPSA-N 0 0 444.403 2.982 50 0 IFAARN COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000253420003 569266826 /nfs/dbraw/zinc/26/68/26/569266826.db2.gz SDYOALJXIVVMAX-SFHVURJKSA-N 0 0 448.564 2.781 50 0 IFAARN CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCC(OCC)OCC)c2c1C ZINC000027534418 569267780 /nfs/dbraw/zinc/26/77/80/569267780.db2.gz FUIRNUDLVAMYLM-UHFFFAOYSA-N 0 0 425.507 2.703 50 0 IFAARN CCCOc1ccc(Cc2nn3c(nc2=O)s/c(=C\c2ccccc2OCC)c3=O)cc1 ZINC000002333796 569274073 /nfs/dbraw/zinc/27/40/73/569274073.db2.gz LWGBDQPKAZLSAW-QNGOZBTKSA-N 0 0 449.532 2.837 50 0 IFAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1 ZINC000002335817 569274799 /nfs/dbraw/zinc/27/47/99/569274799.db2.gz UALFOULHTMDCAA-UHFFFAOYSA-N 0 0 437.312 2.795 50 0 IFAARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccccc1OCc1ccccc1F ZINC000253471003 569282561 /nfs/dbraw/zinc/28/25/61/569282561.db2.gz JVJXIJAVHIVKPE-INIZCTEOSA-N 0 0 441.459 2.534 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccnc(OCC3CCOCC3)c2)c1 ZINC000253472530 569282939 /nfs/dbraw/zinc/28/29/39/569282939.db2.gz MYKFCPHHPSPQFB-UHFFFAOYSA-N 0 0 428.441 2.713 50 0 IFAARN CCOC(=O)[C@@H](CSCCCN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C ZINC000008873883 569291859 /nfs/dbraw/zinc/29/18/59/569291859.db2.gz WMSSBGGUKFINNY-MRXNPFEDSA-N 0 0 436.530 2.862 50 0 IFAARN O=C1CCN(S(=O)(=O)c2ccc(I)cc2)c2ccccc2N1 ZINC000008873614 569291868 /nfs/dbraw/zinc/29/18/68/569291868.db2.gz GGFIQCUZJAFSBO-UHFFFAOYSA-N 0 0 428.251 2.829 50 0 IFAARN Cc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000002382002 569292736 /nfs/dbraw/zinc/29/27/36/569292736.db2.gz RRFOGARRRPVIML-SFHVURJKSA-N 0 0 443.569 2.848 50 0 IFAARN Cc1cc(NC(=O)Cn2c3sc(C)c(C)c3c(=O)n(CCc3ccccc3)c2=O)n[nH]1 ZINC000009599048 569297446 /nfs/dbraw/zinc/29/74/46/569297446.db2.gz DOXKBDNUYZZNRJ-UHFFFAOYSA-N 0 0 437.525 2.754 50 0 IFAARN COc1ccc(CC2(CNc3ccc(C)cc3)C(=O)N(C)C(=O)N(C)C2=O)cc1OC ZINC000002448109 569304596 /nfs/dbraw/zinc/30/45/96/569304596.db2.gz BOTHMVLMLUXIQS-UHFFFAOYSA-N 0 0 425.485 2.704 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1OCC ZINC000012977510 569305705 /nfs/dbraw/zinc/30/57/05/569305705.db2.gz FHNANIHWERTQJT-UHFFFAOYSA-N 0 0 448.541 2.639 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)c3cccc(Cl)c3)CC2)cc1 ZINC000013030205 569307330 /nfs/dbraw/zinc/30/73/30/569307330.db2.gz YZQDGYZBPTZKGC-KRWDZBQOSA-N 0 0 435.977 2.832 50 0 IFAARN C[C@@H](N[C@@H](C)c1ccccc1Br)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013037955 569307575 /nfs/dbraw/zinc/30/75/75/569307575.db2.gz FGYPYMKTRLRAIB-NWDGAFQWSA-N 0 0 426.336 2.774 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)Nc1ccc(F)c(F)c1 ZINC000013038158 569307771 /nfs/dbraw/zinc/30/77/71/569307771.db2.gz INEDVUOOMNIWPF-UHFFFAOYSA-N 0 0 429.876 2.563 50 0 IFAARN CC[C@@H](C)N(C(=O)COC(=O)c1oc2ccccc2c1COC)[C@H]1CCS(=O)(=O)C1 ZINC000013039045 569307845 /nfs/dbraw/zinc/30/78/45/569307845.db2.gz SOYNFASOKJSPHE-CABCVRRESA-N 0 0 437.514 2.550 50 0 IFAARN CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000013097234 569309674 /nfs/dbraw/zinc/30/96/74/569309674.db2.gz TZINMDKTXXYVSI-UHFFFAOYSA-N 0 0 444.553 2.907 50 0 IFAARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000013108465 569310162 /nfs/dbraw/zinc/31/01/62/569310162.db2.gz UYVVWFJEIMWJNG-UHFFFAOYSA-N 0 0 437.529 2.759 50 0 IFAARN Cc1ccc(OCc2nnc(S[C@H](C)C(=O)NC(=O)NC3CCCCC3)n2N)c(C)c1 ZINC000013113143 569310688 /nfs/dbraw/zinc/31/06/88/569310688.db2.gz IIECQUWAFCBLMZ-OAHLLOKOSA-N 0 0 446.577 2.827 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c1 ZINC000013114274 569310692 /nfs/dbraw/zinc/31/06/92/569310692.db2.gz YETKWPSIFGLCMR-UHFFFAOYSA-N 0 0 449.583 2.644 50 0 IFAARN CCN1CCN(C(=O)[C@@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccccc2)CC1 ZINC000013117018 569310842 /nfs/dbraw/zinc/31/08/42/569310842.db2.gz OAQIWPOYBMHGPI-LJQANCHMSA-N 0 0 442.633 2.898 50 0 IFAARN CCn1c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccs1 ZINC000013120448 569311042 /nfs/dbraw/zinc/31/10/42/569311042.db2.gz WPQZZJRZCVTHQK-AWEZNQCLSA-N 0 0 442.632 2.790 50 0 IFAARN CCOC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013149557 569312266 /nfs/dbraw/zinc/31/22/66/569312266.db2.gz NAUNUUMAGZNBFI-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN O=C(NCc1cscn1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013354174 569313467 /nfs/dbraw/zinc/31/34/67/569313467.db2.gz YFRQTCDQIOMWSD-UHFFFAOYSA-N 0 0 433.477 2.879 50 0 IFAARN Cn1c(Sc2ccccc2NC(=O)c2cccc(F)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000013365227 569314231 /nfs/dbraw/zinc/31/42/31/569314231.db2.gz SAVIACAFBPUBFR-UHFFFAOYSA-N 0 0 439.472 2.513 50 0 IFAARN O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1NCCCc1ccccc1 ZINC000013371980 569315066 /nfs/dbraw/zinc/31/50/66/569315066.db2.gz RDTVNQSVBBQWFT-OALUTQOASA-N 0 0 427.975 2.502 50 0 IFAARN Cc1nnc(SCC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)n1-c1cc(C)ccc1C ZINC000328592438 569317220 /nfs/dbraw/zinc/31/72/20/569317220.db2.gz IGBKSJJXRWZNJR-SXLOBPIMSA-N 0 0 430.574 2.673 50 0 IFAARN O=C(Nc1cc(Br)ccc1-n1cccn1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000078719780 569318602 /nfs/dbraw/zinc/31/86/02/569318602.db2.gz QNTAVIIIKYIAJP-SNVBAGLBSA-N 0 0 431.212 2.984 50 0 IFAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000078752400 569318833 /nfs/dbraw/zinc/31/88/33/569318833.db2.gz DQBUDHYESZWPJZ-GOSISDBHSA-N 0 0 443.979 2.993 50 0 IFAARN COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000078870192 569319554 /nfs/dbraw/zinc/31/95/54/569319554.db2.gz ADXBOFQKLIIMII-INIZCTEOSA-N 0 0 441.513 2.567 50 0 IFAARN CCCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000078874820 569319624 /nfs/dbraw/zinc/31/96/24/569319624.db2.gz MLTYONIJLBDASB-RBUKOAKNSA-N 0 0 442.560 2.612 50 0 IFAARN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)CCn1cnc2ccccc2c1=O ZINC000078877557 569319882 /nfs/dbraw/zinc/31/98/82/569319882.db2.gz VUOOHZJIBBIEAB-WMZOPIPTSA-N 0 0 428.533 2.986 50 0 IFAARN CNS(=O)(=O)c1cccc(CNc2c(F)cc([N+](=O)[O-])c(N)c2Br)c1 ZINC000078903778 569320198 /nfs/dbraw/zinc/32/01/98/569320198.db2.gz RRKPEBFEPRDODO-UHFFFAOYSA-N 0 0 433.259 2.599 50 0 IFAARN C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc2c(cc1=O)CN(C(=O)OCc1ccccc1)CC2 ZINC000078965388 569320577 /nfs/dbraw/zinc/32/05/77/569320577.db2.gz KDUCHSBYTHXGIL-ROUUACIJSA-N 0 0 438.528 2.728 50 0 IFAARN COCCCOC1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)C1 ZINC000078995358 569321571 /nfs/dbraw/zinc/32/15/71/569321571.db2.gz HUCVZALPKNDISG-UHFFFAOYSA-N 0 0 432.542 2.982 50 0 IFAARN C[C@@H](NC(=O)CN(c1ccccc1Br)S(=O)(=O)N(C)C)c1ccccc1 ZINC000079016361 569322140 /nfs/dbraw/zinc/32/21/40/569322140.db2.gz WMTVYCXBNXHBCP-CQSZACIVSA-N 0 0 440.363 2.939 50 0 IFAARN O=C(NCCn1c(=O)[nH]c2ccccc21)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000079022674 569322569 /nfs/dbraw/zinc/32/25/69/569322569.db2.gz QMPFBTTWSUSXCF-INIZCTEOSA-N 0 0 426.904 2.652 50 0 IFAARN COc1ccc(CN2C[C@H](C(=O)N[C@H](C)c3noc(Cc4ccccc4)n3)CC2=O)cc1 ZINC000079024923 569322720 /nfs/dbraw/zinc/32/27/20/569322720.db2.gz KYVLJVZEZRNCPW-VQIMIIECSA-N 0 0 434.496 2.895 50 0 IFAARN COc1cccc(OCCN2CCN(C(=O)c3cc4cccc(OC)c4oc3=O)CC2)c1 ZINC000019620017 569323441 /nfs/dbraw/zinc/32/34/41/569323441.db2.gz JXJLOAPVBRNFCN-UHFFFAOYSA-N 0 0 438.480 2.647 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)C[C@@H]2C(=O)Nc2cc(OC)ccc2OC)c1 ZINC000079067351 569324255 /nfs/dbraw/zinc/32/42/55/569324255.db2.gz HRAQNMAZLYFQLT-IRXDYDNUSA-N 0 0 442.468 2.894 50 0 IFAARN Cc1cc(C)n(-c2ccc([C@@H](C)NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)n1 ZINC000079062657 569324291 /nfs/dbraw/zinc/32/42/91/569324291.db2.gz GTWSGWSKGIGBTE-MRXNPFEDSA-N 0 0 433.555 2.932 50 0 IFAARN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000079069344 569324403 /nfs/dbraw/zinc/32/44/03/569324403.db2.gz IECTXGNLHOSSOT-IFXJQAMLSA-N 0 0 434.489 2.992 50 0 IFAARN O=C(Nc1cccc(N2CCNC2=O)c1)N[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 ZINC000079107222 569325830 /nfs/dbraw/zinc/32/58/30/569325830.db2.gz KWEULOSGZZSUCK-MRXNPFEDSA-N 0 0 434.905 2.910 50 0 IFAARN O=C(NCCCCCc1nnc2ccccn21)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000079494182 569331414 /nfs/dbraw/zinc/33/14/14/569331414.db2.gz AMHPZHQBAPQIDY-MRXNPFEDSA-N 0 0 427.940 2.918 50 0 IFAARN CCc1cccc2c(C=C3NC(=S)N(CC)C3=O)cn(CC(=O)NCCCOC)c21 ZINC000020058667 569333058 /nfs/dbraw/zinc/33/30/58/569333058.db2.gz REMGCWOMRDYTLA-PDGQHHTCSA-N 0 0 428.558 2.845 50 0 IFAARN Cc1ccc(NC(=O)CCNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1F ZINC000020103500 569333967 /nfs/dbraw/zinc/33/39/67/569333967.db2.gz WCKUBCQHIMHUSQ-UHFFFAOYSA-N 0 0 442.516 2.929 50 0 IFAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(C)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000020114231 569334901 /nfs/dbraw/zinc/33/49/01/569334901.db2.gz BIUZVXGBENPFAA-FCHUYYIVSA-N 0 0 441.503 2.527 50 0 IFAARN O=S(=O)(c1ccccc1Br)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390828673 569354027 /nfs/dbraw/zinc/35/40/27/569354027.db2.gz BOZXYHDTCGRQFJ-MRXNPFEDSA-N 0 0 444.372 3.000 50 0 IFAARN CC1(C)Cc2cccc(OCC(=O)N3CCC(n4nnc5ccsc5c4=O)CC3)c2O1 ZINC000390828717 569354051 /nfs/dbraw/zinc/35/40/51/569354051.db2.gz BRVMLWQYXLXVDG-UHFFFAOYSA-N 0 0 440.525 2.809 50 0 IFAARN Cc1ccc(N2CCN(CC(=O)N3CC[C@@H](c4ccccc4)S(=O)(=O)CC3)C2=O)cc1 ZINC000390831002 569354309 /nfs/dbraw/zinc/35/43/09/569354309.db2.gz PAANMUSOSYBPQI-NRFANRHFSA-N 0 0 441.553 2.625 50 0 IFAARN COC(=O)Cn1c(=O)c(NC(=O)c2cccs2)cc2c(NCc3ccccc3)ncnc21 ZINC000390834822 569354499 /nfs/dbraw/zinc/35/44/99/569354499.db2.gz FKKSBUFZFOLGPJ-UHFFFAOYSA-N 0 0 449.492 2.890 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3cc(C)nc4oncc43)CC2)c(OC)c1OC ZINC000094993133 569355782 /nfs/dbraw/zinc/35/57/82/569355782.db2.gz IMTZJVXMCCYVQK-UHFFFAOYSA-N 0 0 426.473 2.515 50 0 IFAARN Cc1oc(-c2cccc(C)c2)nc1C[S@](=O)CC(=O)N1CCN(c2ccccn2)CC1 ZINC000020241480 569358027 /nfs/dbraw/zinc/35/80/27/569358027.db2.gz PZOGHERDSVKDKB-WJOKGBTCSA-N 0 0 438.553 2.951 50 0 IFAARN COc1ccc(-c2cc3nc(C)c(CCC(=O)NCC(OC)OC)c(C)n3n2)c(OC)c1 ZINC000020282723 569358774 /nfs/dbraw/zinc/35/87/74/569358774.db2.gz HTRHISONKJSPJX-UHFFFAOYSA-N 0 0 442.516 2.698 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc(OC)c1 ZINC000020281128 569358810 /nfs/dbraw/zinc/35/88/10/569358810.db2.gz KWMNRSWORKQHGA-INIZCTEOSA-N 0 0 448.526 2.500 50 0 IFAARN CCOC(=O)C1=C(CNc2cc(OC)c(OC)c(OC)c2)NC(=O)N[C@H]1c1ccccc1 ZINC000020283334 569358886 /nfs/dbraw/zinc/35/88/86/569358886.db2.gz KKHPILCFBHSHAK-FQEVSTJZSA-N 0 0 441.484 2.996 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1C ZINC000020326899 569360517 /nfs/dbraw/zinc/36/05/17/569360517.db2.gz AXXHPDMPDQYQGO-INIZCTEOSA-N 0 0 443.525 2.788 50 0 IFAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccccc4Cl)C3)ccc21 ZINC000020327335 569360551 /nfs/dbraw/zinc/36/05/51/569360551.db2.gz ADEQXQGTVGVSHV-ZDUSSCGKSA-N 0 0 449.916 2.824 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020328685 569360583 /nfs/dbraw/zinc/36/05/83/569360583.db2.gz MADVTBSILUBXBR-SFHVURJKSA-N 0 0 436.436 2.610 50 0 IFAARN Cc1cc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000095350297 569361731 /nfs/dbraw/zinc/36/17/31/569361731.db2.gz LVYUUNDQJAITQM-IRXDYDNUSA-N 0 0 446.529 2.691 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095351750 569362124 /nfs/dbraw/zinc/36/21/24/569362124.db2.gz ALKJEYNSWGETEL-UEXGIBASSA-N 0 0 428.492 2.914 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000080338050 569362537 /nfs/dbraw/zinc/36/25/37/569362537.db2.gz YQFUNQNKSHRDMI-QGZVFWFLSA-N 0 0 426.517 2.558 50 0 IFAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(CNC(C)=O)cc1 ZINC000095377711 569363154 /nfs/dbraw/zinc/36/31/54/569363154.db2.gz BODLNMCFCIKRNB-HXUWFJFHSA-N 0 0 440.496 2.643 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCc3cc(Cl)ccc32)C1=O)NCCc1c[nH]c2ccccc12 ZINC000095430261 569366082 /nfs/dbraw/zinc/36/60/82/569366082.db2.gz PWVLDSIXKSYJNV-HSZRJFAPSA-N 0 0 436.899 2.874 50 0 IFAARN O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000095429892 569366178 /nfs/dbraw/zinc/36/61/78/569366178.db2.gz FPAIKTQRZDHLKT-HNNXBMFYSA-N 0 0 429.402 2.931 50 0 IFAARN COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)N[C@@H](C)Cc1cccs1 ZINC000095441959 569366736 /nfs/dbraw/zinc/36/67/36/569366736.db2.gz HUTORRBGIGBADH-VIFPVBQESA-N 0 0 433.349 2.528 50 0 IFAARN CC(C)(C)OC(=O)NCCNC(=O)c1ccnc(Cl)c1I ZINC000095449157 569367621 /nfs/dbraw/zinc/36/76/21/569367621.db2.gz LROHTWLFYUMBPC-UHFFFAOYSA-N 0 0 425.654 2.594 50 0 IFAARN Cc1ccc(NC(=O)CON=C(N)[C@H]2COCCN2C(=O)OC(C)(C)C)cc1Cl ZINC000095449565 569367622 /nfs/dbraw/zinc/36/76/22/569367622.db2.gz NZVWKGWBBOUMCE-OAHLLOKOSA-N 0 0 426.901 2.721 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3ccc(Br)cc3)C2)cc1 ZINC000095454851 569368356 /nfs/dbraw/zinc/36/83/56/569368356.db2.gz KQZSDCBIWIABAY-UHFFFAOYSA-N 0 0 440.319 2.652 50 0 IFAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000095454261 569368400 /nfs/dbraw/zinc/36/84/00/569368400.db2.gz HVDCDJCKPDYVPI-GFCCVEGCSA-N 0 0 442.946 2.506 50 0 IFAARN C[C@@H]1CC(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000095455456 569368550 /nfs/dbraw/zinc/36/85/50/569368550.db2.gz GKVKUHAUDZPPEK-ZIAGYGMSSA-N 0 0 434.480 2.742 50 0 IFAARN CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cc1Br ZINC000095460030 569369521 /nfs/dbraw/zinc/36/95/21/569369521.db2.gz JWIIKKXEMULWMB-AWEZNQCLSA-N 0 0 441.351 2.766 50 0 IFAARN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000095461938 569370036 /nfs/dbraw/zinc/37/00/36/569370036.db2.gz HSGJDUTUEMVMOF-HXUWFJFHSA-N 0 0 425.526 2.754 50 0 IFAARN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(-n4cnnn4)ccc3Cl)cc2F)c1 ZINC000095466364 569370908 /nfs/dbraw/zinc/37/09/08/569370908.db2.gz GEUKTQZDNJGQON-UHFFFAOYSA-N 0 0 433.856 2.750 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc3c2OCCC3=O)cc1 ZINC000095468416 569371416 /nfs/dbraw/zinc/37/14/16/569371416.db2.gz OMMQXWAACARLPQ-UHFFFAOYSA-N 0 0 432.498 2.700 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000095469700 569371540 /nfs/dbraw/zinc/37/15/40/569371540.db2.gz PTRVCMGABCHHSW-UHFFFAOYSA-N 0 0 434.949 2.893 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CN3CCN(C(=O)c4ccccc4Cl)CC3)CC2)c1 ZINC000095469851 569371671 /nfs/dbraw/zinc/37/16/71/569371671.db2.gz FCHGWHLNUOSBCA-UHFFFAOYSA-N 0 0 440.975 2.755 50 0 IFAARN COc1cc2ncn(CC(=O)NCCSc3ccc(Cl)cc3)c(=O)c2cc1OC ZINC000095474002 569372454 /nfs/dbraw/zinc/37/24/54/569372454.db2.gz FVLFELJARVXWIK-UHFFFAOYSA-N 0 0 433.917 2.976 50 0 IFAARN Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCCc1c[nH]cn1 ZINC000095473830 569372494 /nfs/dbraw/zinc/37/24/94/569372494.db2.gz MIIUVSOSCYSKRE-UHFFFAOYSA-N 0 0 427.306 2.886 50 0 IFAARN COCCn1cc(C(=O)Nc2n[nH]c(Cc3ccc(OC)cc3)n2)c2ccccc2c1=O ZINC000095474797 569372602 /nfs/dbraw/zinc/37/26/02/569372602.db2.gz CLFLGNAVJFUPMR-UHFFFAOYSA-N 0 0 433.468 2.618 50 0 IFAARN COc1cc(OC)c([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)cc1OC ZINC000095474292 569372643 /nfs/dbraw/zinc/37/26/43/569372643.db2.gz GGVFJOIPBZWNQC-SFHVURJKSA-N 0 0 435.502 2.978 50 0 IFAARN COc1cc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c43)C2)cc(OC)c1OC ZINC000095479537 569373816 /nfs/dbraw/zinc/37/38/16/569373816.db2.gz YNLPQFJMEWRCIP-NSHDSACASA-N 0 0 428.420 2.719 50 0 IFAARN Cc1ccc(SCCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 ZINC000095482539 569374388 /nfs/dbraw/zinc/37/43/88/569374388.db2.gz PSLFFVXCXAHBOZ-UHFFFAOYSA-N 0 0 447.626 2.843 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccccc2OS(=O)(=O)c2ccc(C)cc2)S1 ZINC000020896074 569375181 /nfs/dbraw/zinc/37/51/81/569375181.db2.gz LNXZVZVGCOZLTJ-GOSISDBHSA-N 0 0 433.511 2.764 50 0 IFAARN Cn1cc(Br)c(=O)c(NC(=O)NCCc2cc(F)cc3c2OCOC3)c1 ZINC000095942282 569375570 /nfs/dbraw/zinc/37/55/70/569375570.db2.gz FRKGBJCTKUASFB-UHFFFAOYSA-N 0 0 426.242 2.518 50 0 IFAARN CCOC(=O)[C@@](C)(O)CNC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC000095942035 569375597 /nfs/dbraw/zinc/37/55/97/569375597.db2.gz ZFKRRRHTMJEXPU-IBGZPJMESA-N 0 0 428.316 2.769 50 0 IFAARN O=S(=O)(c1cccc(CN(Cc2cccs2)C[C@H]2CCCO2)c1)N1CCOCC1 ZINC000095966260 569377370 /nfs/dbraw/zinc/37/73/70/569377370.db2.gz BIHCYRFBVILJSU-LJQANCHMSA-N 0 0 436.599 2.950 50 0 IFAARN C[C@@H]1CN([C@@H](CNC(=O)C2(N3CCOCC3)CCC2)c2c(F)cccc2Cl)CCO1 ZINC000095983142 569377858 /nfs/dbraw/zinc/37/78/58/569377858.db2.gz YZVVCKDWANFVSW-APWZRJJASA-N 0 0 439.959 2.612 50 0 IFAARN O=S(=O)(c1ccc(N2CCC[C@@H](n3nccc3C(F)(F)F)C2)nc1)N1CCCC1 ZINC000095994813 569378567 /nfs/dbraw/zinc/37/85/67/569378567.db2.gz STAMVFWKBBDRGN-CQSZACIVSA-N 0 0 429.468 2.923 50 0 IFAARN COCCOc1ccc(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)cn1 ZINC000096005574 569379380 /nfs/dbraw/zinc/37/93/80/569379380.db2.gz IKTINIQLHGPZRO-QGZVFWFLSA-N 0 0 438.406 2.831 50 0 IFAARN COCCOc1ccc(S(=O)(=O)N(CCOC)c2cccc(Br)n2)cc1 ZINC000096013503 569380302 /nfs/dbraw/zinc/38/03/02/569380302.db2.gz RDQNRQJNUOFWOW-UHFFFAOYSA-N 0 0 445.335 2.711 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)N[C@@H]2CCCC[C@@H]2[S@@](=O)CC)cc1 ZINC000096055679 569380990 /nfs/dbraw/zinc/38/09/90/569380990.db2.gz YZMHUSFEMXWLAV-LJRQXBIHSA-N 0 0 440.631 2.926 50 0 IFAARN CN(C)S(=O)(=O)N1CCc2nc(NC(=O)Nc3cccc(C(F)(F)F)c3)sc2C1 ZINC000096096390 569381228 /nfs/dbraw/zinc/38/12/28/569381228.db2.gz SBHJLWSRTMBZIS-UHFFFAOYSA-N 0 0 449.480 2.970 50 0 IFAARN O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096096867 569381292 /nfs/dbraw/zinc/38/12/92/569381292.db2.gz HRMZLJZFIYZIQN-CYBMUJFWSA-N 0 0 446.960 2.887 50 0 IFAARN COc1cc(=O)n(CC(=O)NCCCn2nc(C)cc2C)nc1-c1ccc(Cl)cc1 ZINC000096100880 569381704 /nfs/dbraw/zinc/38/17/04/569381704.db2.gz XOEGIYGYGHOFRM-UHFFFAOYSA-N 0 0 429.908 2.592 50 0 IFAARN COc1ccc(-c2nn([C@@H](C)C(=O)N3CCN(c4ccccc4)CC3)c(=O)cc2OC)cc1 ZINC000096101059 569381771 /nfs/dbraw/zinc/38/17/71/569381771.db2.gz MXKSAJSDNXQNLZ-SFHVURJKSA-N 0 0 448.523 2.837 50 0 IFAARN CSc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000096103277 569381851 /nfs/dbraw/zinc/38/18/51/569381851.db2.gz PRQOFQBYKLNCQK-LJQANCHMSA-N 0 0 427.526 2.632 50 0 IFAARN COc1cccc(N2C[C@@H](C(=O)NCCn3nc(C(F)(F)F)cc3C3CC3)CC2=O)c1 ZINC000096103760 569382114 /nfs/dbraw/zinc/38/21/14/569382114.db2.gz UFFKRHKTBPUYRH-AWEZNQCLSA-N 0 0 436.434 2.957 50 0 IFAARN COc1cccc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1OC ZINC000096105492 569382406 /nfs/dbraw/zinc/38/24/06/569382406.db2.gz PMUADEVZAIKHLV-UHFFFAOYSA-N 0 0 431.533 2.847 50 0 IFAARN COc1ccc2cc([C@H]3SCC(=O)Nc4c3c(=O)[nH]n4C3CCOCC3)c(=O)[nH]c2c1 ZINC000096117320 569384158 /nfs/dbraw/zinc/38/41/58/569384158.db2.gz JKKRMNKUSONUQS-GOSISDBHSA-N 0 0 442.497 2.565 50 0 IFAARN COC(=O)c1nc(NC(=O)[C@H](c2ccccc2)n2cnnn2)sc1-c1ccc(F)cc1 ZINC000096118531 569384588 /nfs/dbraw/zinc/38/45/88/569384588.db2.gz JBPIEYIJBQGWCB-INIZCTEOSA-N 0 0 438.444 2.950 50 0 IFAARN COCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3S(=O)(=O)C(F)F)cc21 ZINC000096120147 569384910 /nfs/dbraw/zinc/38/49/10/569384910.db2.gz CZOORIVEDYDQND-UHFFFAOYSA-N 0 0 438.452 2.861 50 0 IFAARN O=C(C1CCN(c2ccc(-n3cncn3)nn2)CC1)N(Cc1ccccc1)c1ccccn1 ZINC000096124172 569385543 /nfs/dbraw/zinc/38/55/43/569385543.db2.gz FIAOWCBSXZEXPI-UHFFFAOYSA-N 0 0 440.511 2.902 50 0 IFAARN COCCn1c(C[C@H]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)nc2cccnc21 ZINC000096125068 569385646 /nfs/dbraw/zinc/38/56/46/569385646.db2.gz AIZOBFXEMQULAZ-CQSZACIVSA-N 0 0 436.484 2.609 50 0 IFAARN CN1c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2C(C)(C)CC1=O ZINC000096183077 569386083 /nfs/dbraw/zinc/38/60/83/569386083.db2.gz ISQZZIWOSSFXPI-UHFFFAOYSA-N 0 0 427.570 2.837 50 0 IFAARN CSCC[C@@H]1NC(=O)c2cc(NC(=O)CCc3ccc4c(c3)CCO4)ccc2NC1=O ZINC000096221534 569386863 /nfs/dbraw/zinc/38/68/63/569386863.db2.gz ZEMISFJJJPGUNZ-IBGZPJMESA-N 0 0 439.537 2.996 50 0 IFAARN CC(C)Cn1c(CCNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 ZINC000096221542 569386924 /nfs/dbraw/zinc/38/69/24/569386924.db2.gz PMHYXBYZYVTLMI-HXUWFJFHSA-N 0 0 447.539 2.882 50 0 IFAARN Cn1c(CCCCCNC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 ZINC000096221992 569386990 /nfs/dbraw/zinc/38/69/90/569386990.db2.gz MOTUZWGZPKTDRV-LJQANCHMSA-N 0 0 433.512 2.543 50 0 IFAARN CSCC[C@@H]1NC(=O)c2cc(NC(=O)c3ccc4c(c3)OCCCO4)ccc2NC1=O ZINC000096221674 569386999 /nfs/dbraw/zinc/38/69/99/569386999.db2.gz AVHSETZSFQBAMU-KRWDZBQOSA-N 0 0 441.509 2.904 50 0 IFAARN COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000096230942 569387430 /nfs/dbraw/zinc/38/74/30/569387430.db2.gz GJZWVEWTQDJBEB-KRWDZBQOSA-N 0 0 427.457 2.552 50 0 IFAARN O=C(CN1c2cccnc2Sc2ccccc2C1=O)N1CCN(Cc2ccccn2)CC1 ZINC000096231241 569387443 /nfs/dbraw/zinc/38/74/43/569387443.db2.gz APYCMCBSDFNWBO-UHFFFAOYSA-N 0 0 445.548 2.932 50 0 IFAARN CCCCc1nc(C)sc1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000096231817 569387571 /nfs/dbraw/zinc/38/75/71/569387571.db2.gz BITNUNGWTMWCMS-IBGZPJMESA-N 0 0 429.542 2.919 50 0 IFAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCCc1nc3ccccc3[nH]1)C=C2 ZINC000096232120 569387689 /nfs/dbraw/zinc/38/76/89/569387689.db2.gz PFBVGVBEXQNHPT-UHFFFAOYSA-N 0 0 434.496 2.685 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)CC1 ZINC000096236542 569387826 /nfs/dbraw/zinc/38/78/26/569387826.db2.gz ZBTWAJOYLAQBCO-MRXNPFEDSA-N 0 0 441.553 2.602 50 0 IFAARN C[C@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)c1nc2ccccc2n1C ZINC000096232640 569387856 /nfs/dbraw/zinc/38/78/56/569387856.db2.gz LMWWBGYZYWTBMN-NSHDSACASA-N 0 0 426.278 2.803 50 0 IFAARN O=C(CN1CCN(CCO)CC1)N[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000096235384 569387860 /nfs/dbraw/zinc/38/78/60/569387860.db2.gz MATFLEUPWCPOTP-LJQANCHMSA-N 0 0 431.989 2.815 50 0 IFAARN CC(C)NC(=O)[C@H]1COC2(CCN(C(=O)CC(C)(C)C)CC2)N1C(=O)c1ccccc1 ZINC000096274469 569388126 /nfs/dbraw/zinc/38/81/26/569388126.db2.gz ZFHXHKSYCGTBEB-LJQANCHMSA-N 0 0 429.561 2.807 50 0 IFAARN CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000096279374 569389293 /nfs/dbraw/zinc/38/92/93/569389293.db2.gz WVEIDQCUXHUHDM-OAQYLSRUSA-N 0 0 440.569 2.607 50 0 IFAARN CCN1C2=C(C(=O)N(C(C)(C)C(=O)NCc3ccccn3)C2)[C@H](c2ccc(C)cc2)NC1=O ZINC000096291288 569391124 /nfs/dbraw/zinc/39/11/24/569391124.db2.gz SCTIGVBRFPKNRS-NRFANRHFSA-N 0 0 447.539 2.668 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1c2sc(=O)[nH]c2SC[C@@]1(C)C(N)=O ZINC000096306078 569392186 /nfs/dbraw/zinc/39/21/86/569392186.db2.gz JBIZMGMZXRGJME-RNODOKPDSA-N 0 0 444.538 2.528 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(C)c3)ccc2=O)cc1Cl ZINC000096307749 569392203 /nfs/dbraw/zinc/39/22/03/569392203.db2.gz FMRPEUUDIUQXKQ-UHFFFAOYSA-N 0 0 447.900 2.685 50 0 IFAARN COCCNC(=O)[C@H](C)n1c2ccc(C)cc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000096318348 569393841 /nfs/dbraw/zinc/39/38/41/569393841.db2.gz ZMOVCEMRYOFSJX-ZDUSSCGKSA-N 0 0 433.867 2.577 50 0 IFAARN CCCn1c2ccc(-c3noc([C@@H](NC(=O)c4ccco4)C(C)C)n3)cc2[nH]c(=O)c1=O ZINC000096321513 569394041 /nfs/dbraw/zinc/39/40/41/569394041.db2.gz POCBCBUADJNOPT-KRWDZBQOSA-N 0 0 437.456 2.870 50 0 IFAARN O=C(/C=C\c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096320581 569394083 /nfs/dbraw/zinc/39/40/83/569394083.db2.gz KDBMWACETLRQAS-XFXZXTDPSA-N 0 0 425.485 2.920 50 0 IFAARN O=C(Cn1nc2n(c3ccsc3c(=O)n2CCc2ccccc2)c1=O)c1ccccc1 ZINC000096321824 569394187 /nfs/dbraw/zinc/39/41/87/569394187.db2.gz BNWXFLDUPPSFTF-UHFFFAOYSA-N 0 0 430.489 2.998 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)cc2sc1=O ZINC000096321918 569394268 /nfs/dbraw/zinc/39/42/68/569394268.db2.gz GMXYLZIIZOMMIG-UHFFFAOYSA-N 0 0 433.555 2.602 50 0 IFAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C2CC2)n1 ZINC000096322148 569394355 /nfs/dbraw/zinc/39/43/55/569394355.db2.gz XCLADKMCVMRHNU-AWEZNQCLSA-N 0 0 432.502 2.856 50 0 IFAARN Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NCc4cccs4)CC3)o2)n[nH]1 ZINC000096322181 569394396 /nfs/dbraw/zinc/39/43/96/569394396.db2.gz GOPGNRNAPHLAQV-UHFFFAOYSA-N 0 0 434.543 2.757 50 0 IFAARN CCOc1ccc(NC(=O)Cn2nc3c4cc(-c5ccccc5)nn4ccn3c2=O)cc1 ZINC000096322447 569394640 /nfs/dbraw/zinc/39/46/40/569394640.db2.gz NLUNXXGEALQZAD-UHFFFAOYSA-N 0 0 428.452 2.848 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000096323231 569395146 /nfs/dbraw/zinc/39/51/46/569395146.db2.gz YWHBCRDOQMZFPG-UHFFFAOYSA-N 0 0 438.553 2.695 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)CC2)cc1 ZINC000096323395 569395205 /nfs/dbraw/zinc/39/52/05/569395205.db2.gz MMFHJBRXCLSSQJ-UHFFFAOYSA-N 0 0 434.562 2.626 50 0 IFAARN Cc1ccccc1NC(=O)Cn1c2ccc(S(=O)(=O)N3CCCC3)cc2sc1=O ZINC000096323990 569395591 /nfs/dbraw/zinc/39/55/91/569395591.db2.gz SEKPQQGPSHNBRG-UHFFFAOYSA-N 0 0 431.539 2.795 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)c1 ZINC000096324195 569395731 /nfs/dbraw/zinc/39/57/31/569395731.db2.gz UKPYQRLKWJSHQE-UHFFFAOYSA-N 0 0 448.523 2.829 50 0 IFAARN Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)o1 ZINC000096324147 569395743 /nfs/dbraw/zinc/39/57/43/569395743.db2.gz JSJWRROPRKYJOD-UHFFFAOYSA-N 0 0 440.481 2.720 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)c(OC)c1 ZINC000096324720 569395912 /nfs/dbraw/zinc/39/59/12/569395912.db2.gz SMUVUKGDLJTIRX-MRXNPFEDSA-N 0 0 435.484 2.980 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](O)c3ccc4c(c3)CCN4C)n(C)n2)c1 ZINC000096362529 569397675 /nfs/dbraw/zinc/39/76/75/569397675.db2.gz WIGDHXAZQPHXGH-JOCHJYFZSA-N 0 0 436.512 2.560 50 0 IFAARN O=C(CNC(=O)OCc1ccccc1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096371052 569397879 /nfs/dbraw/zinc/39/78/79/569397879.db2.gz RZZFYPNJAMHSPW-GOSISDBHSA-N 0 0 436.917 2.641 50 0 IFAARN CC(=O)NCc1csc([C@H]2CCCN(S(=O)(=O)Cc3cc(F)cc(F)c3)C2)n1 ZINC000096372839 569397928 /nfs/dbraw/zinc/39/79/28/569397928.db2.gz OUGPXCUXSFAUKM-AWEZNQCLSA-N 0 0 429.514 2.767 50 0 IFAARN C[C@H](NC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccn2)C1=O)c1cccnc1 ZINC000096372489 569397947 /nfs/dbraw/zinc/39/79/47/569397947.db2.gz PORBWPLEBGSKJW-INIZCTEOSA-N 0 0 426.480 2.973 50 0 IFAARN Cc1ccc(Cn2c3cccnc3n(CCNC(=O)c3ccc4c(c3)OCO4)c2=O)cc1 ZINC000096386021 569398315 /nfs/dbraw/zinc/39/83/15/569398315.db2.gz AXUFXPTYZHVCSH-UHFFFAOYSA-N 0 0 430.464 2.713 50 0 IFAARN Cc1ccc(-n2c(=O)n(CC(=O)Nc3ccc(N4CCOCC4)cc3)c3cccnc32)cc1 ZINC000096385587 569398334 /nfs/dbraw/zinc/39/83/34/569398334.db2.gz UUPFJYWXZMEDPU-UHFFFAOYSA-N 0 0 443.507 2.971 50 0 IFAARN COc1ccc(C(=O)NCCn2c(=O)n(Cc3ccc(F)cc3)c3cccnc32)cc1F ZINC000096386079 569398401 /nfs/dbraw/zinc/39/84/01/569398401.db2.gz UFSYXXPWHVHCRJ-UHFFFAOYSA-N 0 0 438.434 2.963 50 0 IFAARN COc1ccccc1N1CCN(C(=O)C2CCN(c3cnc4nccnc4c3)CC2)CC1 ZINC000096387367 569398881 /nfs/dbraw/zinc/39/88/81/569398881.db2.gz MAFIMEGMNZWCBC-UHFFFAOYSA-N 0 0 432.528 2.599 50 0 IFAARN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc(Br)s3)C2=O)cc1 ZINC000096396201 569399003 /nfs/dbraw/zinc/39/90/03/569399003.db2.gz DOQVMJLIRLWUQQ-GFCCVEGCSA-N 0 0 431.333 2.603 50 0 IFAARN COc1ccccc1NC(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1 ZINC000096397094 569399338 /nfs/dbraw/zinc/39/93/38/569399338.db2.gz NYXLDCNFYQUIHL-UHFFFAOYSA-N 0 0 428.489 2.876 50 0 IFAARN Cc1oc(C2CCN(S(=O)(=O)c3cc(C)cc(C)c3)CC2)nc1C(=O)N1CCOCC1 ZINC000096397173 569399470 /nfs/dbraw/zinc/39/94/70/569399470.db2.gz JYOSXHUNUOJCIK-UHFFFAOYSA-N 0 0 447.557 2.641 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c1 ZINC000096398203 569399576 /nfs/dbraw/zinc/39/95/76/569399576.db2.gz YAVQIRJWVIEGSZ-CQSZACIVSA-N 0 0 430.526 2.981 50 0 IFAARN O=C(CN1C(=O)COc2ccccc21)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000096399385 569400066 /nfs/dbraw/zinc/40/00/66/569400066.db2.gz BUKCOMSEJWCSDR-UHFFFAOYSA-N 0 0 441.487 2.931 50 0 IFAARN CCc1nc2c(s1)c(C)nn(CC(=O)N1CCN(c3ccc(Cl)cc3)CC1)c2=O ZINC000096400095 569400381 /nfs/dbraw/zinc/40/03/81/569400381.db2.gz SXFRXJXMSPIVOP-UHFFFAOYSA-N 0 0 431.949 2.726 50 0 IFAARN COc1ccccc1/C=C\C=c1sc2nc(=O)c(Cc3ccccc3Cl)nn2c1=O ZINC000254555171 569402377 /nfs/dbraw/zinc/40/23/77/569402377.db2.gz BWOPVGDPTXLRNR-KSLDUGBISA-N 0 0 437.908 2.977 50 0 IFAARN CCCCNC(=O)CN1CCN(C(=O)c2sc3ncccc3c2-n2cccc2)CC1 ZINC000096915605 569402525 /nfs/dbraw/zinc/40/25/25/569402525.db2.gz NAQFWHCBBBYBKW-UHFFFAOYSA-N 0 0 425.558 2.761 50 0 IFAARN Cc1ccc(-c2noc(CN3CCN(CCS(=O)(=O)c4ccccc4)CC3)n2)cc1 ZINC000096941311 569402640 /nfs/dbraw/zinc/40/26/40/569402640.db2.gz HFLSXYCYBUILBN-UHFFFAOYSA-N 0 0 426.542 2.637 50 0 IFAARN COCCn1c2ncccc2nc1[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000097078227 569403118 /nfs/dbraw/zinc/40/31/18/569403118.db2.gz ODIJBSHIHRQQJK-GOSISDBHSA-N 0 0 426.542 2.745 50 0 IFAARN O=C(NCCn1nc(-c2cccs2)ccc1=O)c1cc(OCc2ccccc2)ncn1 ZINC000225534135 569403770 /nfs/dbraw/zinc/40/37/70/569403770.db2.gz HRSSSHITPUQXTQ-UHFFFAOYSA-N 0 0 433.493 2.771 50 0 IFAARN O=c1[nH]nc(CC2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)n1-c1cccs1 ZINC000225546787 569404207 /nfs/dbraw/zinc/40/42/07/569404207.db2.gz LWAAXDXQWYAFSH-GXDHUFHOSA-N 0 0 430.555 2.877 50 0 IFAARN O=C1CN(C2CCCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 ZINC000055408683 569404740 /nfs/dbraw/zinc/40/47/40/569404740.db2.gz HRWHBUXJMLSVBR-DLBZAZTESA-N 0 0 427.364 2.596 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)NCCc2c(C)nn(-c3ccccn3)c2C)cc1 ZINC000225584130 569404935 /nfs/dbraw/zinc/40/49/35/569404935.db2.gz QWOSPSZITMAVCI-UHFFFAOYSA-N 0 0 429.502 2.583 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000002481300 569404974 /nfs/dbraw/zinc/40/49/74/569404974.db2.gz CONHQVGVVDODRU-MRXNPFEDSA-N 0 0 435.509 2.509 50 0 IFAARN COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CCc1cc(Br)ccc1OC(F)F ZINC000225633343 569406239 /nfs/dbraw/zinc/40/62/39/569406239.db2.gz ADGUZFXRDCFUNX-CHWSQXEVSA-N 0 0 436.249 2.772 50 0 IFAARN COc1ccc(S(=O)(=O)NCC2(c3ccc([C@@H](C)O)s3)CCCC2)cc1C(N)=O ZINC000225684766 569406935 /nfs/dbraw/zinc/40/69/35/569406935.db2.gz UYQLLOJCLFOKKY-CYBMUJFWSA-N 0 0 438.571 2.699 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)CC2=O)cc1 ZINC000225732041 569407670 /nfs/dbraw/zinc/40/76/70/569407670.db2.gz AUXYNSYKTVGYEP-INIZCTEOSA-N 0 0 447.461 2.814 50 0 IFAARN CC1(C)Cc2cccc(OCC(=O)N3CCC(n4c(=O)[nH]c5ccccc5c4=O)CC3)c2O1 ZINC000225758508 569408173 /nfs/dbraw/zinc/40/81/73/569408173.db2.gz DIWMFSFPTUABRQ-UHFFFAOYSA-N 0 0 449.507 2.646 50 0 IFAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000225761048 569408350 /nfs/dbraw/zinc/40/83/50/569408350.db2.gz HKFVQKUOBLIVLG-UHFFFAOYSA-N 0 0 433.917 2.677 50 0 IFAARN CCOc1ccc(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1F ZINC000028304833 569409797 /nfs/dbraw/zinc/40/97/97/569409797.db2.gz JPVWJCCYFVWLEK-UHFFFAOYSA-N 0 0 448.472 2.800 50 0 IFAARN Cc1sc2nc3c(C(=O)N4CCN(C(=O)c5ccco5)CC4)cccn3c(=O)c2c1C ZINC000002601965 569410115 /nfs/dbraw/zinc/41/01/15/569410115.db2.gz FMGPPMIDHYLRRM-UHFFFAOYSA-N 0 0 436.493 2.717 50 0 IFAARN O=C(c1cc2ccccc2oc1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002617068 569410256 /nfs/dbraw/zinc/41/02/56/569410256.db2.gz UVUKFYWXUYEUQN-UHFFFAOYSA-N 0 0 432.885 2.593 50 0 IFAARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)NCCN4C(=O)CSC4=O)c23)C1 ZINC000002624187 569411461 /nfs/dbraw/zinc/41/14/61/569411461.db2.gz CLEURBGBQHAFHU-JTQLQIEISA-N 0 0 436.584 2.720 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3C[C@@H](C)O[C@@H](C)C3)C2=O)cc1 ZINC000215686635 569412212 /nfs/dbraw/zinc/41/22/12/569412212.db2.gz MEGUYTZYQCPVGH-ZENOOKHLSA-N 0 0 436.555 2.623 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)NCCc1ccc(F)cc1 ZINC000002649609 569414578 /nfs/dbraw/zinc/41/45/78/569414578.db2.gz YKXVOGQELMGIQN-UHFFFAOYSA-N 0 0 437.471 2.778 50 0 IFAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O ZINC000002657954 569415692 /nfs/dbraw/zinc/41/56/92/569415692.db2.gz GEOLYBUZQKSZFM-HXUWFJFHSA-N 0 0 430.302 2.575 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000002661861 569416168 /nfs/dbraw/zinc/41/61/68/569416168.db2.gz OUXDUGDEMFTXRR-UHFFFAOYSA-N 0 0 440.905 2.630 50 0 IFAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@H](C)C(=O)N2CCOCC2)c1 ZINC000028673578 569417212 /nfs/dbraw/zinc/41/72/12/569417212.db2.gz AJWDSTSSOWZZTB-QGZVFWFLSA-N 0 0 435.480 2.952 50 0 IFAARN C[C@H](C(=O)Nc1cnn(C)c1C(N)=O)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000002777831 569420995 /nfs/dbraw/zinc/42/09/95/569420995.db2.gz DUZTVUYNRRYIFY-ZCFIWIBFSA-N 0 0 449.231 2.574 50 0 IFAARN CCn1cc(Br)c(CN(C)C(=O)c2cc3ncc(Br)cn3n2)n1 ZINC000002808832 569422799 /nfs/dbraw/zinc/42/27/99/569422799.db2.gz DWECACWYILMZDQ-UHFFFAOYSA-N 0 0 442.115 2.743 50 0 IFAARN COCCOC(=O)Cn1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000002887971 569424201 /nfs/dbraw/zinc/42/42/01/569424201.db2.gz PKBHRIKINNGYOJ-UHFFFAOYSA-N 0 0 429.498 2.825 50 0 IFAARN C[C@H](NC(=O)Cn1c2ccc(S(=O)(=O)NC3CCCC3)cc2oc1=O)c1ccccc1 ZINC000002929230 569426002 /nfs/dbraw/zinc/42/60/02/569426002.db2.gz RYAUEXNDJHITPB-HNNXBMFYSA-N 0 0 443.525 2.693 50 0 IFAARN COc1cc(CCC(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc(OC)c1OC ZINC000029085291 569426119 /nfs/dbraw/zinc/42/61/19/569426119.db2.gz MRJYGMNEDNHLKN-HXUWFJFHSA-N 0 0 428.529 2.835 50 0 IFAARN CCCNC(=O)Cn1cnc2sc(C(=O)Nc3cc(C)ccc3OC)c(C)c2c1=O ZINC000002937435 569426226 /nfs/dbraw/zinc/42/62/26/569426226.db2.gz SZDVJJCXCMEWHN-UHFFFAOYSA-N 0 0 428.514 2.862 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000002938281 569426358 /nfs/dbraw/zinc/42/63/58/569426358.db2.gz FHIPBSPDCVHRKP-UHFFFAOYSA-N 0 0 448.516 2.956 50 0 IFAARN COc1ccc(C2=N/C(=C\c3ccc(OC(C)=O)c(OC(C)=O)c3)C(=O)O2)cc1OC ZINC000002945191 569426918 /nfs/dbraw/zinc/42/69/18/569426918.db2.gz KKAAMVCJYOKXQL-SXGWCWSVSA-N 0 0 425.393 2.899 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000056908005 569427704 /nfs/dbraw/zinc/42/77/04/569427704.db2.gz IQONDNLEQCPISU-AWEZNQCLSA-N 0 0 442.994 2.537 50 0 IFAARN CC[C@H](C(=O)N1CCN(c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1)c1ccccc1 ZINC000056907966 569427729 /nfs/dbraw/zinc/42/77/29/569427729.db2.gz CEYWRIHEPXUEBU-SFTDATJTSA-N 0 0 444.601 2.702 50 0 IFAARN O=C(NCc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945119 569427962 /nfs/dbraw/zinc/42/79/62/569427962.db2.gz VTJOMLMEAWXUKA-QFIPXVFZSA-N 0 0 432.524 2.576 50 0 IFAARN CCCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000056945723 569428208 /nfs/dbraw/zinc/42/82/08/569428208.db2.gz CJIMUBCATDWCFJ-HXUWFJFHSA-N 0 0 430.524 2.705 50 0 IFAARN O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)N1CCCCCC1 ZINC000056949779 569428303 /nfs/dbraw/zinc/42/83/03/569428303.db2.gz UDCOVUXAKJVNAX-UHFFFAOYSA-N 0 0 425.529 2.743 50 0 IFAARN O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000056997380 569428836 /nfs/dbraw/zinc/42/88/36/569428836.db2.gz LTOREJJJJBVFNA-GOSISDBHSA-N 0 0 426.948 2.631 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)NCCN1CCN(c2ccccc2F)CC1 ZINC000056997702 569428853 /nfs/dbraw/zinc/42/88/53/569428853.db2.gz YWSYJJWPJFCNPQ-UHFFFAOYSA-N 0 0 427.929 2.588 50 0 IFAARN Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000056999910 569429152 /nfs/dbraw/zinc/42/91/52/569429152.db2.gz FNKUIEMOPQKUEY-UHFFFAOYSA-N 0 0 431.540 2.813 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](C)c1ccc(F)cc1F ZINC000057312336 569430769 /nfs/dbraw/zinc/43/07/69/569430769.db2.gz HUFFURRRVMBHCR-GFCCVEGCSA-N 0 0 427.473 2.513 50 0 IFAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000057378545 569432681 /nfs/dbraw/zinc/43/26/81/569432681.db2.gz KIYANBIFUMJDCL-HNNXBMFYSA-N 0 0 427.530 2.719 50 0 IFAARN COC(=O)c1cc(NC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)cc(C(=O)OC)c1 ZINC000057412944 569433755 /nfs/dbraw/zinc/43/37/55/569433755.db2.gz DIYYXYGAMBTVRX-UHFFFAOYSA-N 0 0 439.424 2.919 50 0 IFAARN COC(=O)C1C(CN2CCN(c3ccccc3Cl)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057414286 569433841 /nfs/dbraw/zinc/43/38/41/569433841.db2.gz UXLYCZDROSVHAI-NRFANRHFSA-N 0 0 440.931 2.943 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3cc(C)ccc3C)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000057415944 569434183 /nfs/dbraw/zinc/43/41/83/569434183.db2.gz AHDYVZLAXNFDGH-NRFANRHFSA-N 0 0 440.569 2.968 50 0 IFAARN CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NCCC(C)C)c2=O)cc1 ZINC000057428138 569434845 /nfs/dbraw/zinc/43/48/45/569434845.db2.gz SFLMKIRQJACCIP-UHFFFAOYSA-N 0 0 429.542 2.834 50 0 IFAARN CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3nccs3)c2=O)c1 ZINC000057428057 569434851 /nfs/dbraw/zinc/43/48/51/569434851.db2.gz IAVRNGFMFRYLEA-UHFFFAOYSA-N 0 0 442.522 2.767 50 0 IFAARN Cc1ccc(Cl)cc1-n1ncc2c1ncn(CC(=O)NCc1ccc(F)cc1)c2=O ZINC000057428341 569434899 /nfs/dbraw/zinc/43/48/99/569434899.db2.gz UVLKSWMTNQXIIN-UHFFFAOYSA-N 0 0 425.851 3.000 50 0 IFAARN Cc1ccc(NC(=O)CN2CCN(c3nccs3)CC2)cc1I ZINC000057463431 569435440 /nfs/dbraw/zinc/43/54/40/569435440.db2.gz LFGCVVZRDJNVCH-UHFFFAOYSA-N 0 0 442.326 2.817 50 0 IFAARN O=c1c(Cl)c(N2CCN(C[C@H]3COc4ccccc4O3)CC2)cnn1-c1ccccc1 ZINC000057473810 569435719 /nfs/dbraw/zinc/43/57/19/569435719.db2.gz LLCWEEQMDZTWEH-SFHVURJKSA-N 0 0 438.915 2.848 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2c(=O)cc(C)nc2-c2ccc(F)cc2)CC1 ZINC000057477925 569435774 /nfs/dbraw/zinc/43/57/74/569435774.db2.gz VCFQURVRCJSGHS-UHFFFAOYSA-N 0 0 436.487 2.715 50 0 IFAARN COc1cc(NC(=O)Cn2c3ccsc3c(=O)n(CC(C)C)c2=O)cc(OC)c1OC ZINC000057486094 569436377 /nfs/dbraw/zinc/43/63/77/569436377.db2.gz ZTJUBYWHVSWNAN-UHFFFAOYSA-N 0 0 447.513 2.545 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3F)c2=O)C1 ZINC000057485988 569436393 /nfs/dbraw/zinc/43/63/93/569436393.db2.gz ZFTIXAMOMNXQLC-HUUCEWRRSA-N 0 0 429.517 2.917 50 0 IFAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccccc2Cl)c1=O)NCc1ccco1 ZINC000057486431 569436422 /nfs/dbraw/zinc/43/64/22/569436422.db2.gz MHEPAVJUFCFVGA-UHFFFAOYSA-N 0 0 429.885 2.836 50 0 IFAARN COCCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1 ZINC000057489222 569437004 /nfs/dbraw/zinc/43/70/04/569437004.db2.gz DYSQNVQRYLBHLR-UHFFFAOYSA-N 0 0 425.482 2.970 50 0 IFAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)Nc1ccc2c(c1)OCCO2 ZINC000057489567 569437055 /nfs/dbraw/zinc/43/70/55/569437055.db2.gz XJRZZWFTCKODMM-UHFFFAOYSA-N 0 0 435.461 2.624 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3C)c2=O)cc1 ZINC000057489806 569437104 /nfs/dbraw/zinc/43/71/04/569437104.db2.gz SKDPFRFXCKWALC-UHFFFAOYSA-N 0 0 435.505 2.847 50 0 IFAARN Cc1cc2nn(CC(=O)Nc3ccccc3F)c(=O)n2c(N2CCc3ccccc3C2)n1 ZINC000057505876 569438175 /nfs/dbraw/zinc/43/81/75/569438175.db2.gz WYACTCPCLBWPJA-UHFFFAOYSA-N 0 0 432.459 2.540 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000029895882 569438275 /nfs/dbraw/zinc/43/82/75/569438275.db2.gz ABTFJPFKUPWCKH-LLVKDONJSA-N 0 0 430.404 2.798 50 0 IFAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc32)cc1F ZINC000057507135 569438330 /nfs/dbraw/zinc/43/83/30/569438330.db2.gz ZUOUDCYVPCVXRV-UHFFFAOYSA-N 0 0 435.506 2.801 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(C)C)c2=O)cc1OC ZINC000057526036 569439121 /nfs/dbraw/zinc/43/91/21/569439121.db2.gz HWCOLBOAVOOINI-UHFFFAOYSA-N 0 0 425.485 2.865 50 0 IFAARN COc1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1O ZINC000057531366 569439470 /nfs/dbraw/zinc/43/94/70/569439470.db2.gz WCMOOBPRZMZNNB-VKJFTORMSA-N 0 0 426.416 2.670 50 0 IFAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000230201553 569440052 /nfs/dbraw/zinc/44/00/52/569440052.db2.gz APUXMZSGHJUBPT-VKDGWMQASA-N 0 0 449.894 2.974 50 0 IFAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCN(c2cnccn2)C1 ZINC000030110465 569440789 /nfs/dbraw/zinc/44/07/89/569440789.db2.gz CCETZCBOMVQSJE-GFCCVEGCSA-N 0 0 428.846 2.989 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(Cl)ccc1O)n2C ZINC000057681299 569440882 /nfs/dbraw/zinc/44/08/82/569440882.db2.gz BCJHQPMCZDKIIL-UHFFFAOYSA-N 0 0 436.921 2.754 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)n1 ZINC000003242130 569442621 /nfs/dbraw/zinc/44/26/21/569442621.db2.gz GWBYQPRASHRMFP-UHFFFAOYSA-N 0 0 425.532 2.532 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000003244444 569442691 /nfs/dbraw/zinc/44/26/91/569442691.db2.gz RXEWNYZQGWEPRF-YTQUADARSA-N 0 0 425.547 2.821 50 0 IFAARN CCOC(=O)c1sc2[nH]c(COC(=O)c3cc(OC)cc(OC)c3)nc(=O)c2c1C ZINC000003271310 569443564 /nfs/dbraw/zinc/44/35/64/569443564.db2.gz XDJHNSDLYRHVKS-UHFFFAOYSA-N 0 0 432.454 2.844 50 0 IFAARN C[C@@H]1CCc2c(sc3[nH]c(CSc4nnc(-c5cccnc5)n4N)nc(=O)c23)C1 ZINC000003275411 569443692 /nfs/dbraw/zinc/44/36/92/569443692.db2.gz RNVBGMGPVCONGC-SNVBAGLBSA-N 0 0 425.543 2.769 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000003280535 569443856 /nfs/dbraw/zinc/44/38/56/569443856.db2.gz ZETRRZXKFLPPCP-INIZCTEOSA-N 0 0 426.469 2.896 50 0 IFAARN O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003284193 569444003 /nfs/dbraw/zinc/44/40/03/569444003.db2.gz ZZOWTXWQQPOCAY-UHFFFAOYSA-N 0 0 428.466 2.595 50 0 IFAARN Cc1ccc(C(=O)N[C@H](C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000003284037 569444037 /nfs/dbraw/zinc/44/40/37/569444037.db2.gz NGXOVAGQKOGZFQ-KKSFZXQISA-N 0 0 440.496 2.726 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000003289588 569444225 /nfs/dbraw/zinc/44/42/25/569444225.db2.gz OQDWOMRHWDTPPM-UHFFFAOYSA-N 0 0 438.461 2.754 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@@H]3CCCN3[C@@]13c1ccccc1N(C)C3=O)OCO2 ZINC000057992678 569444309 /nfs/dbraw/zinc/44/43/09/569444309.db2.gz AWAFIPLVXXYVMS-LCAJTWGOSA-N 0 0 447.491 2.913 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)c2ccc(Br)s2)cc1 ZINC000003295011 569444607 /nfs/dbraw/zinc/44/46/07/569444607.db2.gz YCUGRNQDNBWUTF-UHFFFAOYSA-N 0 0 446.344 2.866 50 0 IFAARN CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)NCC)cc2)c1C ZINC000058011188 569444981 /nfs/dbraw/zinc/44/49/81/569444981.db2.gz NUTMZUQNCYNVSD-UHFFFAOYSA-N 0 0 439.559 2.697 50 0 IFAARN COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)c1 ZINC000003300665 569445023 /nfs/dbraw/zinc/44/50/23/569445023.db2.gz AEEVWDOFVNQBEG-FQEVSTJZSA-N 0 0 432.448 2.779 50 0 IFAARN COC(=O)c1c(NC(=O)CNc2cc(OC)c(OC)cc2C(=O)OC)sc2c1CCC2 ZINC000003304735 569445169 /nfs/dbraw/zinc/44/51/69/569445169.db2.gz DLDQJXKRXLPLQM-UHFFFAOYSA-N 0 0 448.497 2.878 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000003314584 569445647 /nfs/dbraw/zinc/44/56/47/569445647.db2.gz VZCYZBFZPAYJSR-UHFFFAOYSA-N 0 0 443.459 2.907 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003317163 569445744 /nfs/dbraw/zinc/44/57/44/569445744.db2.gz GBLKZGMKEBNUTP-KRWDZBQOSA-N 0 0 442.537 2.996 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003317165 569445763 /nfs/dbraw/zinc/44/57/63/569445763.db2.gz GBLKZGMKEBNUTP-QGZVFWFLSA-N 0 0 442.537 2.996 50 0 IFAARN C[C@@H](NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 ZINC000003318039 569445811 /nfs/dbraw/zinc/44/58/11/569445811.db2.gz OYTUOJRBJNQHBJ-QGZVFWFLSA-N 0 0 430.526 2.895 50 0 IFAARN COc1ccc2oc(=O)cc(CN3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)c2c1 ZINC000058092583 569447340 /nfs/dbraw/zinc/44/73/40/569447340.db2.gz UNTXTHXVDGQTOQ-UHFFFAOYSA-N 0 0 438.480 2.777 50 0 IFAARN Cn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1-c1ccncc1 ZINC000003352593 569447492 /nfs/dbraw/zinc/44/74/92/569447492.db2.gz VPXVKCJYBTTWBL-UHFFFAOYSA-N 0 0 428.543 2.647 50 0 IFAARN CC(=O)c1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003354595 569447542 /nfs/dbraw/zinc/44/75/42/569447542.db2.gz MDYWDWZZTXQXCX-UHFFFAOYSA-N 0 0 436.917 2.597 50 0 IFAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)Nc1ccc2c(c1)OCO2 ZINC000003361792 569447951 /nfs/dbraw/zinc/44/79/51/569447951.db2.gz BMTDCNRFSRTYMZ-UHFFFAOYSA-N 0 0 432.429 2.977 50 0 IFAARN O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(F)c1 ZINC000058136222 569448370 /nfs/dbraw/zinc/44/83/70/569448370.db2.gz YNCHIOYZFKBZGZ-QHCPKHFHSA-N 0 0 447.514 2.839 50 0 IFAARN COc1ccccc1-n1cnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000003372883 569448575 /nfs/dbraw/zinc/44/85/75/569448575.db2.gz AOHJHKFWAMDOHD-UHFFFAOYSA-N 0 0 429.527 2.656 50 0 IFAARN COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)c1nn(-c2ccccc2)cc1OC ZINC000058146462 569448808 /nfs/dbraw/zinc/44/88/08/569448808.db2.gz MPZNLFUXJCPMGR-UHFFFAOYSA-N 0 0 439.468 2.714 50 0 IFAARN CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)Nc2ccc(OC(F)F)cc2)c1C ZINC000058161721 569449206 /nfs/dbraw/zinc/44/92/06/569449206.db2.gz GTFOHGTVBCLJTF-UHFFFAOYSA-N 0 0 430.477 2.771 50 0 IFAARN CCOc1ccc(C[C@H](CNC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C(N)=O)cc1 ZINC000058162150 569449291 /nfs/dbraw/zinc/44/92/91/569449291.db2.gz FIEUNYOHAMEORQ-QGZVFWFLSA-N 0 0 449.515 2.539 50 0 IFAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc(OC)c1OC ZINC000003415390 569450200 /nfs/dbraw/zinc/45/02/00/569450200.db2.gz HFNFNDIJFHQSFR-BJMVGYQFSA-N 0 0 428.441 2.866 50 0 IFAARN C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000003415063 569450223 /nfs/dbraw/zinc/45/02/23/569450223.db2.gz VFJWXVLQWQOSFF-ZIAGYGMSSA-N 0 0 434.480 2.742 50 0 IFAARN COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nncn1-c1ccccc1OC ZINC000003431774 569450888 /nfs/dbraw/zinc/45/08/88/569450888.db2.gz HBOYSXPSAZYBFD-UHFFFAOYSA-N 0 0 434.499 2.785 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000003445027 569451322 /nfs/dbraw/zinc/45/13/22/569451322.db2.gz OCJBJBGSLIFENN-UHFFFAOYSA-N 0 0 426.897 2.563 50 0 IFAARN Cc1ccccc1-n1nnnc1SCC(=O)NC(=O)c1ccccc1Br ZINC000003457412 569451861 /nfs/dbraw/zinc/45/18/61/569451861.db2.gz ACTQPQBFHHFXBN-UHFFFAOYSA-N 0 0 432.303 2.782 50 0 IFAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O ZINC000003460893 569451935 /nfs/dbraw/zinc/45/19/35/569451935.db2.gz SHKQMVQCZXHRJT-LJQANCHMSA-N 0 0 434.265 2.672 50 0 IFAARN O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000003480477 569452335 /nfs/dbraw/zinc/45/23/35/569452335.db2.gz RYHOXTPGWOQABM-UHFFFAOYSA-N 0 0 430.526 2.565 50 0 IFAARN O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1nn[nH]n1 ZINC000217743440 569452556 /nfs/dbraw/zinc/45/25/56/569452556.db2.gz PKBULHBQXVXSEE-LJQANCHMSA-N 0 0 431.456 2.514 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnnn1-c1ccc(OC)cc1 ZINC000003500826 569452828 /nfs/dbraw/zinc/45/28/28/569452828.db2.gz CCQCTUQZDMOLEZ-UHFFFAOYSA-N 0 0 433.515 2.867 50 0 IFAARN O=C(Oc1ccc(I)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000058393292 569454125 /nfs/dbraw/zinc/45/41/25/569454125.db2.gz RQQUZVRUHRVWMH-UHFFFAOYSA-N 0 0 443.262 2.951 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(F)cc2)c(=O)[nH]c1=O ZINC000003565738 569454129 /nfs/dbraw/zinc/45/41/29/569454129.db2.gz OMMDWKCMACBKLW-UHFFFAOYSA-N 0 0 440.475 2.914 50 0 IFAARN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000031210128 569454835 /nfs/dbraw/zinc/45/48/35/569454835.db2.gz XRKWAZPKDMBWPQ-CQSZACIVSA-N 0 0 426.330 2.747 50 0 IFAARN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000031210132 569454868 /nfs/dbraw/zinc/45/48/68/569454868.db2.gz XRKWAZPKDMBWPQ-AWEZNQCLSA-N 0 0 426.330 2.747 50 0 IFAARN O=C(CN1CCN(c2ccccc2F)CC1)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000058469128 569455029 /nfs/dbraw/zinc/45/50/29/569455029.db2.gz ZJQBCFFEAGPILV-UHFFFAOYSA-N 0 0 437.471 2.739 50 0 IFAARN COc1ccc([C@H]2[C@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2C)cc1 ZINC000003657888 569455815 /nfs/dbraw/zinc/45/58/15/569455815.db2.gz RDPFKHQWRGXTBD-YADHBBJMSA-N 0 0 436.508 2.971 50 0 IFAARN C[C@H]1Oc2ccccc2N(CCC(=O)OCCCCN2C(=O)c3ccccc3C2=O)C1=O ZINC000031329928 569456024 /nfs/dbraw/zinc/45/60/24/569456024.db2.gz IGWLRPIBGBLONJ-MRXNPFEDSA-N 0 0 436.464 2.810 50 0 IFAARN O=C(NCCc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000031351909 569456147 /nfs/dbraw/zinc/45/61/47/569456147.db2.gz RZVPUFOSRIBJNW-UHFFFAOYSA-N 0 0 430.451 2.947 50 0 IFAARN O=C(NCc1ccc(-n2ccnc2)nc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000031556306 569456748 /nfs/dbraw/zinc/45/67/48/569456748.db2.gz LGWTYDVLIRPARE-UHFFFAOYSA-N 0 0 443.504 2.511 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000670453107 569456912 /nfs/dbraw/zinc/45/69/12/569456912.db2.gz XOFLJZPGGOBOLZ-QGZVFWFLSA-N 0 0 430.448 2.532 50 0 IFAARN Nc1nc(Cn2cnc3ccc(Br)cc3c2=O)nc(Nc2ccc(F)cc2)n1 ZINC000031692387 569456971 /nfs/dbraw/zinc/45/69/71/569456971.db2.gz DZHKHIANVXQFMZ-UHFFFAOYSA-N 0 0 442.252 2.857 50 0 IFAARN CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 ZINC000031733454 569457175 /nfs/dbraw/zinc/45/71/75/569457175.db2.gz RCVZNRBLHZKDLU-UHFFFAOYSA-N 0 0 440.887 2.930 50 0 IFAARN CCc1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000031773692 569457264 /nfs/dbraw/zinc/45/72/64/569457264.db2.gz ZJHRSGGLHCOFCA-LEWJYISDSA-N 0 0 432.973 2.959 50 0 IFAARN CCOc1ccc(N2C(=O)CN(CCCc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000031773793 569457284 /nfs/dbraw/zinc/45/72/84/569457284.db2.gz FMGYZGADDGPITM-FCHUYYIVSA-N 0 0 428.554 2.532 50 0 IFAARN COc1ccc(OC)c2c1CN(Cn1nc(N(C(C)=O)C3CC3)sc1=S)C[C@H]2O ZINC000031783537 569457366 /nfs/dbraw/zinc/45/73/66/569457366.db2.gz LPAGAENGXLXQLU-CQSZACIVSA-N 0 0 436.559 2.713 50 0 IFAARN CN1CCc2c1nc1ccccc1c2NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000004018677 569458166 /nfs/dbraw/zinc/45/81/66/569458166.db2.gz WZNNHXGZHMPGJV-UHFFFAOYSA-N 0 0 429.524 2.624 50 0 IFAARN O=C([C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCN(Cc2cccnc2)CC1 ZINC000059037339 569458671 /nfs/dbraw/zinc/45/86/71/569458671.db2.gz SVMLPSXJFASRQI-LJQANCHMSA-N 0 0 446.473 2.793 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000032074428 569459334 /nfs/dbraw/zinc/45/93/34/569459334.db2.gz JSVUIPDDWUUMSU-HCKVZZMMSA-N 0 0 436.361 2.833 50 0 IFAARN CSCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nc(C)cs1 ZINC000032074566 569459342 /nfs/dbraw/zinc/45/93/42/569459342.db2.gz UFTWVSUMCJOKOW-HOCLYGCPSA-N 0 0 432.571 2.681 50 0 IFAARN Cc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(c4ncc(Br)cn4)CC3)c2c1 ZINC000032090710 569459575 /nfs/dbraw/zinc/45/95/75/569459575.db2.gz BXFWWQZZUFINFO-KRWDZBQOSA-N 0 0 430.306 2.977 50 0 IFAARN Cc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(c4ncc(Br)cn4)CC3)c2c1 ZINC000032090707 569459600 /nfs/dbraw/zinc/45/96/00/569459600.db2.gz BXFWWQZZUFINFO-QGZVFWFLSA-N 0 0 430.306 2.977 50 0 IFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000032092838 569459696 /nfs/dbraw/zinc/45/96/96/569459696.db2.gz UXZNMIRMFSIOMA-SFHVURJKSA-N 0 0 427.888 2.940 50 0 IFAARN O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000032104692 569460210 /nfs/dbraw/zinc/46/02/10/569460210.db2.gz TZTLWIWYYDSONS-MRXNPFEDSA-N 0 0 434.269 2.807 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 ZINC000032105673 569460244 /nfs/dbraw/zinc/46/02/44/569460244.db2.gz YZABQHRASHGITF-NRFANRHFSA-N 0 0 449.551 2.646 50 0 IFAARN Cc1cc(C)c(C(=O)CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1C ZINC000059248385 569460551 /nfs/dbraw/zinc/46/05/51/569460551.db2.gz ZSDLLPXVZFWYSI-JOCHJYFZSA-N 0 0 428.510 2.665 50 0 IFAARN O=C(N[C@@H](c1cccs1)C1CCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000032397800 569461524 /nfs/dbraw/zinc/46/15/24/569461524.db2.gz RXEAECFKUYXRGX-HXUWFJFHSA-N 0 0 447.582 2.530 50 0 IFAARN O=C(N[C@H](c1cccs1)C1CCCC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000032397903 569461535 /nfs/dbraw/zinc/46/15/35/569461535.db2.gz MFYAOCRIXAWFMU-FQEVSTJZSA-N 0 0 447.582 2.530 50 0 IFAARN COc1ccc([C@H]2C[C@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)[O-])=NC3=[NH+]2)cc1 ZINC000038180687 569462301 /nfs/dbraw/zinc/46/23/01/569462301.db2.gz WOVVFJRUWZRHOV-RTBURBONSA-N 0 0 435.484 2.785 50 0 IFAARN COc1ccc(CC[C@@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccccc3OC)C2=O)cc1 ZINC000008328250 569462617 /nfs/dbraw/zinc/46/26/17/569462617.db2.gz XHBUKHULSUYUMV-IQMFZBJNSA-N 0 0 425.485 2.974 50 0 IFAARN COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(F)cc5)c(=O)n4ccn3n2)cc1 ZINC000038487556 569462930 /nfs/dbraw/zinc/46/29/30/569462930.db2.gz HRCMZQNDPIVIPA-UHFFFAOYSA-N 0 0 432.415 2.597 50 0 IFAARN COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(C)c(F)c5)c(=O)n4ccn3n2)cc1 ZINC000038487558 569462951 /nfs/dbraw/zinc/46/29/51/569462951.db2.gz NGXCKQKYTMLNJW-UHFFFAOYSA-N 0 0 446.442 2.906 50 0 IFAARN CS(=O)(=O)Nc1cccc(NC(=O)Cc2csc(NC(=O)Cc3ccccc3)n2)c1 ZINC000038575676 569464071 /nfs/dbraw/zinc/46/40/71/569464071.db2.gz GWSYHHUYWDKSGL-UHFFFAOYSA-N 0 0 444.538 2.877 50 0 IFAARN CCCN(CCC)C(=O)Cn1c2ccsc2c(=O)n(Cc2ccccc2OC)c1=O ZINC000067205428 569464612 /nfs/dbraw/zinc/46/46/12/569464612.db2.gz PFZHZRKTIXWXHH-UHFFFAOYSA-N 0 0 429.542 2.930 50 0 IFAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c1=O ZINC000067205464 569464615 /nfs/dbraw/zinc/46/46/15/569464615.db2.gz QQWHTKGFBJUOLD-HZPDHXFCSA-N 0 0 441.553 2.786 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(=O)OC)ncn3n2)cc1 ZINC000067208762 569464783 /nfs/dbraw/zinc/46/47/83/569464783.db2.gz MOQHVAVAQNZSKG-UHFFFAOYSA-N 0 0 431.452 2.546 50 0 IFAARN O=C(CNC(=O)c1ccccc1)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000008451480 569465077 /nfs/dbraw/zinc/46/50/77/569465077.db2.gz BVJQZAIIDRADCO-DEOSSOPVSA-N 0 0 430.460 2.700 50 0 IFAARN COc1ccc(CNC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)cc1 ZINC000067225775 569465204 /nfs/dbraw/zinc/46/52/04/569465204.db2.gz QUSHGGIERXTYKL-UHFFFAOYSA-N 0 0 449.536 2.814 50 0 IFAARN COc1ccc(CNC(=O)Cn2cnc3c(-c4cccc(OC)c4)cn(C)c3c2=O)cc1 ZINC000067235611 569465385 /nfs/dbraw/zinc/46/53/85/569465385.db2.gz KSMBEBIPGVAWEI-UHFFFAOYSA-N 0 0 432.480 2.736 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2[C@@H](C)CC)CC1 ZINC000067239292 569465705 /nfs/dbraw/zinc/46/57/05/569465705.db2.gz XCZMXNMQJNUMKC-AWEZNQCLSA-N 0 0 449.577 2.833 50 0 IFAARN O=C(Cn1c(=O)oc2ccccc21)NCCc1csc2nc(-c3ccccc3F)nn12 ZINC000038668724 569466001 /nfs/dbraw/zinc/46/60/01/569466001.db2.gz LSFMXSUTAHXSFQ-UHFFFAOYSA-N 0 0 437.456 2.864 50 0 IFAARN O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)NCc1ccco1 ZINC000067255322 569466050 /nfs/dbraw/zinc/46/60/50/569466050.db2.gz HDIWEKFLDKWMPU-UHFFFAOYSA-N 0 0 429.889 2.746 50 0 IFAARN COc1ccc(Nc2cc(C)nc(NCCNS(=O)(=O)c3c(C)noc3C)n2)cc1 ZINC000038670743 569466539 /nfs/dbraw/zinc/46/65/39/569466539.db2.gz UQQHCDNVTXFJAI-UHFFFAOYSA-N 0 0 432.506 2.532 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@@H]3CCCC[C@@H]3N3C(=O)CSC3=O)[nH]n2)c1 ZINC000038679683 569466650 /nfs/dbraw/zinc/46/66/50/569466650.db2.gz ZLLWAYISKRMZOW-PBHICJAKSA-N 0 0 444.513 2.830 50 0 IFAARN COc1cccc(-c2cc3c(N4CC(=O)N(CCc5ccccc5)C(=O)C4)nccn3n2)c1 ZINC000067284930 569466794 /nfs/dbraw/zinc/46/67/94/569466794.db2.gz CBJPRFXMOVMXDS-UHFFFAOYSA-N 0 0 441.491 2.823 50 0 IFAARN COCC(=O)N1CCCc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc21 ZINC000038699665 569466802 /nfs/dbraw/zinc/46/68/02/569466802.db2.gz VKLSMYWPVNBMRF-INIZCTEOSA-N 0 0 425.460 2.743 50 0 IFAARN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000067287391 569467245 /nfs/dbraw/zinc/46/72/45/569467245.db2.gz URFNAYPRRQOFAG-OAQYLSRUSA-N 0 0 447.532 2.760 50 0 IFAARN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1OC ZINC000067287394 569467336 /nfs/dbraw/zinc/46/73/36/569467336.db2.gz URFNAYPRRQOFAG-NRFANRHFSA-N 0 0 447.532 2.760 50 0 IFAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc1O2 ZINC000038708589 569467673 /nfs/dbraw/zinc/46/76/73/569467673.db2.gz MFFRVOYYIOWXOX-UHFFFAOYSA-N 0 0 443.525 2.987 50 0 IFAARN COc1ccccc1CN1CCc2nc(SCC(=O)Nc3cc(C)on3)[nH]c(=O)c2C1 ZINC000067291262 569467698 /nfs/dbraw/zinc/46/76/98/569467698.db2.gz WUNORTRUVHQLMW-UHFFFAOYSA-N 0 0 441.513 2.776 50 0 IFAARN CCCCOc1ccc(-c2cc3c4nn(CC(=O)N[C@@H](C)CC)c(=O)n4ccn3n2)cc1 ZINC000067290642 569467703 /nfs/dbraw/zinc/46/77/03/569467703.db2.gz POZCLJJZLNVYAH-INIZCTEOSA-N 0 0 436.516 2.904 50 0 IFAARN O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1Cl ZINC000067318850 569468542 /nfs/dbraw/zinc/46/85/42/569468542.db2.gz GDYVSGQDPMWTRP-UHFFFAOYSA-N 0 0 443.862 2.905 50 0 IFAARN Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2cccc(Br)c2)c(=O)c1=O ZINC000067320346 569468636 /nfs/dbraw/zinc/46/86/36/569468636.db2.gz QWZRIXRGVGWWLC-UHFFFAOYSA-N 0 0 432.249 2.848 50 0 IFAARN COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(OC)c2)c1C ZINC000067322879 569468721 /nfs/dbraw/zinc/46/87/21/569468721.db2.gz LKFJUVDWBHNSLM-UHFFFAOYSA-N 0 0 425.445 2.503 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)cc1 ZINC000067322729 569468725 /nfs/dbraw/zinc/46/87/25/569468725.db2.gz BELICUQYPQBBJG-UHFFFAOYSA-N 0 0 425.420 2.712 50 0 IFAARN Cc1cnc2n(c1=O)[C@@H](CC(=O)NCc1cc(-c3ccc4c(c3)O[C@@H](C)C4)on1)CS2 ZINC000038755201 569468828 /nfs/dbraw/zinc/46/88/28/569468828.db2.gz RUAZTLGRLPVARR-GUYCJALGSA-N 0 0 438.509 2.883 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000067334579 569468849 /nfs/dbraw/zinc/46/88/49/569468849.db2.gz NCLITGOWSHBAGC-UHFFFAOYSA-N 0 0 434.452 2.764 50 0 IFAARN CCN(CC)C(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000067338198 569468936 /nfs/dbraw/zinc/46/89/36/569468936.db2.gz BBODURXWCKHDGK-UHFFFAOYSA-N 0 0 447.605 2.513 50 0 IFAARN Cc1cc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)ccc1Br ZINC000038850312 569469273 /nfs/dbraw/zinc/46/92/73/569469273.db2.gz QAQGNSOBQRAWHY-INIZCTEOSA-N 0 0 425.304 2.923 50 0 IFAARN CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000038855201 569469280 /nfs/dbraw/zinc/46/92/80/569469280.db2.gz RBEFHGYYVZDACW-HXUWFJFHSA-N 0 0 445.541 2.628 50 0 IFAARN CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)Oc2ccc(Cl)cc21 ZINC000038853829 569469302 /nfs/dbraw/zinc/46/93/02/569469302.db2.gz VVAPXPHWVZOUBO-QGZVFWFLSA-N 0 0 438.889 2.667 50 0 IFAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000038855682 569469336 /nfs/dbraw/zinc/46/93/36/569469336.db2.gz NYMZKFFEFDGROB-MGPUTAFESA-N 0 0 445.541 2.771 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ncccc2C)C1 ZINC000008602718 569469338 /nfs/dbraw/zinc/46/93/38/569469338.db2.gz SBCATGLAHWCBJL-INIZCTEOSA-N 0 0 448.545 2.551 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000038857758 569469357 /nfs/dbraw/zinc/46/93/57/569469357.db2.gz LEOCVVZLJGGKCH-GOSISDBHSA-N 0 0 437.905 2.854 50 0 IFAARN O=S(=O)(c1cccnc1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000038934839 569469567 /nfs/dbraw/zinc/46/95/67/569469567.db2.gz BKKQNRMUCFLUEF-UHFFFAOYSA-N 0 0 433.537 2.991 50 0 IFAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)ccc3-n3cncn3)C2=O)cc1 ZINC000008643488 569469626 /nfs/dbraw/zinc/46/96/26/569469626.db2.gz GORZVTBMYRPZHW-OAQYLSRUSA-N 0 0 438.875 2.635 50 0 IFAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)ccc3-n3cncn3)C2=O)cc1 ZINC000008643490 569469643 /nfs/dbraw/zinc/46/96/43/569469643.db2.gz GORZVTBMYRPZHW-NRFANRHFSA-N 0 0 438.875 2.635 50 0 IFAARN CC(C)OCCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000008661325 569469797 /nfs/dbraw/zinc/46/97/97/569469797.db2.gz BZHXJGOJGZZQEE-UHFFFAOYSA-N 0 0 449.573 2.638 50 0 IFAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2NC(=O)Cc2ccccc2)no1 ZINC000008661784 569469878 /nfs/dbraw/zinc/46/98/78/569469878.db2.gz BCHKCXDJYZOQKB-UHFFFAOYSA-N 0 0 449.492 2.737 50 0 IFAARN CCN(CC)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000008662624 569469975 /nfs/dbraw/zinc/46/99/75/569469975.db2.gz NKZFZKLFBUTECZ-UHFFFAOYSA-N 0 0 448.564 2.617 50 0 IFAARN COCCCn1c(C)cc(C(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c1C ZINC000008667709 569469979 /nfs/dbraw/zinc/46/99/79/569469979.db2.gz JXVIABTYWJNVNY-UHFFFAOYSA-N 0 0 426.469 2.554 50 0 IFAARN COc1ccc(C(=O)OCc2ccc(-n3cccn3)cc2)cc1S(=O)(=O)NC1CC1 ZINC000008704380 569470280 /nfs/dbraw/zinc/47/02/80/569470280.db2.gz UGLODZIHXNXIFM-UHFFFAOYSA-N 0 0 427.482 2.679 50 0 IFAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000008704381 569470294 /nfs/dbraw/zinc/47/02/94/569470294.db2.gz OGXGOZNKRSWRMP-UHFFFAOYSA-N 0 0 445.566 2.959 50 0 IFAARN CN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000008705042 569470332 /nfs/dbraw/zinc/47/03/32/569470332.db2.gz KXAGNJRRWGRGLV-HNNXBMFYSA-N 0 0 438.575 2.781 50 0 IFAARN Cc1nc(-c2cccc(NC(=O)CNC(=O)C(=O)NCCc3cccs3)c2)cs1 ZINC000008704869 569470336 /nfs/dbraw/zinc/47/03/36/569470336.db2.gz YVAYSHUMWMWVOB-UHFFFAOYSA-N 0 0 428.539 2.594 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)cc1 ZINC000008707905 569470587 /nfs/dbraw/zinc/47/05/87/569470587.db2.gz BNHQYEDSYFFAEM-UHFFFAOYSA-N 0 0 447.513 2.913 50 0 IFAARN CCn1c(CSc2nnc3n2CCCCC3)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000008709992 569470900 /nfs/dbraw/zinc/47/09/00/569470900.db2.gz ORKFBJFYNXNEKX-UHFFFAOYSA-N 0 0 434.591 2.917 50 0 IFAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000008719667 569471444 /nfs/dbraw/zinc/47/14/44/569471444.db2.gz PDQWDIGVCGKIMW-LBPRGKRZSA-N 0 0 445.520 2.713 50 0 IFAARN C[C@@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000008721477 569471784 /nfs/dbraw/zinc/47/17/84/569471784.db2.gz VDGUDRHYWMXKPS-MRXNPFEDSA-N 0 0 440.548 2.551 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccc(Br)cc1 ZINC000008724133 569471923 /nfs/dbraw/zinc/47/19/23/569471923.db2.gz VUUSNDWVFCVYOY-UHFFFAOYSA-N 0 0 446.301 2.740 50 0 IFAARN CC[C@H](C)N(C(=O)CSc1nccn1-c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008724633 569471995 /nfs/dbraw/zinc/47/19/95/569471995.db2.gz PWWDVAATYKOJJK-WMLDXEAASA-N 0 0 425.551 2.918 50 0 IFAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCc3nc(N)nc(N(C)C)n3)c2n1 ZINC000008726426 569472284 /nfs/dbraw/zinc/47/22/84/569472284.db2.gz XKNIJQQLIMQHAI-UHFFFAOYSA-N 0 0 437.287 2.805 50 0 IFAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000008754592 569473841 /nfs/dbraw/zinc/47/38/41/569473841.db2.gz JJRYWDJTFJRNTJ-UHFFFAOYSA-N 0 0 446.479 2.606 50 0 IFAARN Cc1nn(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000008754891 569473887 /nfs/dbraw/zinc/47/38/87/569473887.db2.gz INUFXPHFDITWRV-UHFFFAOYSA-N 0 0 425.576 2.819 50 0 IFAARN COc1ccc(CNC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000008764228 569474485 /nfs/dbraw/zinc/47/44/85/569474485.db2.gz OLYGZIYTNKSSRD-NRFANRHFSA-N 0 0 434.496 2.736 50 0 IFAARN CCOC(=O)Cn1c2sc3c(c2c(=O)n(CCc2ccccc2)c1=O)CC(C)(C)OC3 ZINC000008769901 569475090 /nfs/dbraw/zinc/47/50/90/569475090.db2.gz PAVDOKHBDHWHIM-UHFFFAOYSA-N 0 0 442.537 2.882 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000008771585 569475210 /nfs/dbraw/zinc/47/52/10/569475210.db2.gz INDOPHGVAARYPE-UHFFFAOYSA-N 0 0 434.924 2.738 50 0 IFAARN COc1ccc(CN(C)C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000008772045 569475262 /nfs/dbraw/zinc/47/52/62/569475262.db2.gz SLXIMNVLRAKJAC-UHFFFAOYSA-N 0 0 441.347 2.980 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 ZINC000008772358 569475313 /nfs/dbraw/zinc/47/53/13/569475313.db2.gz WWIVNMYYXVGIMV-PUAOIOHZSA-N 0 0 433.508 2.972 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(COC(=O)C(O)(c2ccccc2)c2ccccc2)c1 ZINC000008776015 569475371 /nfs/dbraw/zinc/47/53/71/569475371.db2.gz NIKBDARIIVKODT-UHFFFAOYSA-N 0 0 425.506 2.916 50 0 IFAARN CCOc1ccccc1C(=O)N[C@H](C(=O)OCCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000008823993 569477123 /nfs/dbraw/zinc/47/71/23/569477123.db2.gz ADYRCVMMEOQSOV-FQEVSTJZSA-N 0 0 438.480 2.679 50 0 IFAARN CCOC(=O)c1cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)cc(C(=O)OCC)c1 ZINC000008825546 569477398 /nfs/dbraw/zinc/47/73/98/569477398.db2.gz CQFCCCHXLAXALH-UHFFFAOYSA-N 0 0 433.482 2.837 50 0 IFAARN O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)N1CCNC1=O ZINC000008860764 569479947 /nfs/dbraw/zinc/47/99/47/569479947.db2.gz MEVYIBXCNHWOSV-UHFFFAOYSA-N 0 0 427.555 2.817 50 0 IFAARN CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000039477073 569481683 /nfs/dbraw/zinc/48/16/83/569481683.db2.gz COQKHVCDEDIWKZ-UHFFFAOYSA-N 0 0 432.835 2.948 50 0 IFAARN COc1ccc(-c2nnc([C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3F)o2)cc1 ZINC000039983779 569482294 /nfs/dbraw/zinc/48/22/94/569482294.db2.gz VAWPTLSCYRZNAB-OLZOCXBDSA-N 0 0 449.460 2.856 50 0 IFAARN O=C(COC(=O)c1cnn(Cc2ccccc2)c1)N1CCN(Cc2ccccc2F)CC1 ZINC000040023653 569482755 /nfs/dbraw/zinc/48/27/55/569482755.db2.gz YPPSLKXSJQTRLA-UHFFFAOYSA-N 0 0 436.487 2.572 50 0 IFAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008882298 569482919 /nfs/dbraw/zinc/48/29/19/569482919.db2.gz TULIBXGDLURWCI-UHFFFAOYSA-N 0 0 438.981 2.789 50 0 IFAARN Cc1oc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c2c1c(C)n[nH]c2=O ZINC000008882821 569483008 /nfs/dbraw/zinc/48/30/08/569483008.db2.gz LBQLFQDEVIDYJF-UHFFFAOYSA-N 0 0 437.485 2.852 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008882552 569483009 /nfs/dbraw/zinc/48/30/09/569483009.db2.gz XWMIJHYIPRLZDM-UHFFFAOYSA-N 0 0 438.553 2.777 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000008883220 569483012 /nfs/dbraw/zinc/48/30/12/569483012.db2.gz XKKVMMCGZZHTLH-IBGZPJMESA-N 0 0 430.526 2.798 50 0 IFAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCCc4ccccc43)C2=O)cc1OC ZINC000008883465 569483056 /nfs/dbraw/zinc/48/30/56/569483056.db2.gz WGFFWNRRQUHOEU-KOSHJBKYSA-N 0 0 437.496 2.665 50 0 IFAARN O=C(CN1CCOCC1)N1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000040033639 569483150 /nfs/dbraw/zinc/48/31/50/569483150.db2.gz PEKOKYABWSMTQE-VWLOTQADSA-N 0 0 446.551 2.568 50 0 IFAARN CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 ZINC000008898091 569483987 /nfs/dbraw/zinc/48/39/87/569483987.db2.gz DUHGFCNQSWNZPN-INIZCTEOSA-N 0 0 426.502 2.757 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)NCc2cn3cc(Cl)ccc3n2)cc1OCC ZINC000040050726 569484206 /nfs/dbraw/zinc/48/42/06/569484206.db2.gz WSNBYNGIWDHZMA-UHFFFAOYSA-N 0 0 430.892 2.831 50 0 IFAARN O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000040052213 569484569 /nfs/dbraw/zinc/48/45/69/569484569.db2.gz FOIMAVGVVQREIB-MOPGFXCFSA-N 0 0 427.501 2.734 50 0 IFAARN CCCc1cc(=O)[nH]c(SCC2=C(C(=O)OCC)[C@H](c3ccc(C)o3)NC(=O)N2)n1 ZINC000040058050 569484633 /nfs/dbraw/zinc/48/46/33/569484633.db2.gz VNONWCDLWPOGNK-KRWDZBQOSA-N 0 0 432.502 2.587 50 0 IFAARN CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000040058715 569484686 /nfs/dbraw/zinc/48/46/86/569484686.db2.gz KGSGYXPRLGWCHK-UHFFFAOYSA-N 0 0 433.349 2.938 50 0 IFAARN Cc1nc(NC(=O)CCn2cnc3c(C)cccc3c2=O)sc1C1N=NC(=S)N1C ZINC000040059522 569484760 /nfs/dbraw/zinc/48/47/60/569484760.db2.gz AHBSYVBVNWVCJQ-UHFFFAOYSA-N 0 0 441.542 2.583 50 0 IFAARN COc1ccccc1OCC(=O)Nc1c2c(nn1-c1cccc(C)c1)CS(=O)(=O)C2 ZINC000008910462 569484820 /nfs/dbraw/zinc/48/48/20/569484820.db2.gz KEFSBTSKAOJMJQ-UHFFFAOYSA-N 0 0 427.482 2.635 50 0 IFAARN CCc1nn(CC(=O)NCc2cccc(OC)c2OC)c(=O)c2cc3sccc3n21 ZINC000008911541 569484855 /nfs/dbraw/zinc/48/48/55/569484855.db2.gz TZCHGJIPVZJGPN-UHFFFAOYSA-N 0 0 426.498 2.607 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(c3nnc(-n4c(C)ccc4C)s3)CC2)C1 ZINC000008912674 569485046 /nfs/dbraw/zinc/48/50/46/569485046.db2.gz RPRRRGLLPOPMHN-GOSISDBHSA-N 0 0 445.589 2.964 50 0 IFAARN CCOc1ccccc1C(=O)N(Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008915743 569485621 /nfs/dbraw/zinc/48/56/21/569485621.db2.gz QSRZEKUXGYTTPI-KRWDZBQOSA-N 0 0 433.526 2.932 50 0 IFAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008917275 569485963 /nfs/dbraw/zinc/48/59/63/569485963.db2.gz PQIFEDJTIOHOTE-QRWLVFNGSA-N 0 0 439.489 2.924 50 0 IFAARN O=S(=O)(c1ccc2c(c1)CCN2Cc1cc(F)cc2cccnc21)N1CCOCC1 ZINC000040086048 569486673 /nfs/dbraw/zinc/48/66/73/569486673.db2.gz MHMRDNIXUMFRLV-UHFFFAOYSA-N 0 0 427.501 2.958 50 0 IFAARN CCNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC000008924006 569487112 /nfs/dbraw/zinc/48/71/12/569487112.db2.gz QRLGQGUMIOZWTK-HNAYVOBHSA-N 0 0 429.498 2.540 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@H]3C(=O)NCc3cccc(Br)c3)sc2n1 ZINC000008933834 569487928 /nfs/dbraw/zinc/48/79/28/569487928.db2.gz KETRQERBOHLKQZ-AWEZNQCLSA-N 0 0 448.346 2.507 50 0 IFAARN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O ZINC000008937035 569488114 /nfs/dbraw/zinc/48/81/14/569488114.db2.gz OFKMYEXWYVBVCT-QFIPXVFZSA-N 0 0 429.423 2.640 50 0 IFAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000040106802 569488412 /nfs/dbraw/zinc/48/84/12/569488412.db2.gz ALVGMGQQXLCPDH-UHFFFAOYSA-N 0 0 425.529 2.624 50 0 IFAARN Cc1nc(CSCCC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cs1 ZINC000040107862 569488514 /nfs/dbraw/zinc/48/85/14/569488514.db2.gz YIAYNSZCMDVAGQ-UHFFFAOYSA-N 0 0 432.615 2.779 50 0 IFAARN O=C(CCC(=O)N1CCOCC1)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000040108140 569488524 /nfs/dbraw/zinc/48/85/24/569488524.db2.gz FXHFOGHOJFDJCY-HXUWFJFHSA-N 0 0 427.570 2.603 50 0 IFAARN CSc1nc2c(cnn2CCNC(=O)c2ccc3c(c2)OCO3)c(NCC(C)C)n1 ZINC000008942432 569488709 /nfs/dbraw/zinc/48/87/09/569488709.db2.gz HNSVJFBSKGRJPK-UHFFFAOYSA-N 0 0 428.518 2.775 50 0 IFAARN COc1ccc(CC(=O)NCCn2ncc3c2nc(SC)nc3NCC(C)C)cc1 ZINC000008942791 569488731 /nfs/dbraw/zinc/48/87/31/569488731.db2.gz KEQGCDDEORMRTH-UHFFFAOYSA-N 0 0 428.562 2.984 50 0 IFAARN O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040110384 569488762 /nfs/dbraw/zinc/48/87/62/569488762.db2.gz RRMRYNVWNWUZQB-UHFFFAOYSA-N 0 0 433.317 2.608 50 0 IFAARN CC(C)(C)c1cc(NC(=O)CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)on1 ZINC000008945349 569489004 /nfs/dbraw/zinc/48/90/04/569489004.db2.gz YLELMYKXGWFJCZ-UHFFFAOYSA-N 0 0 428.489 2.990 50 0 IFAARN COc1ccc(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1NC(=O)OC(C)(C)C ZINC000040120310 569489458 /nfs/dbraw/zinc/48/94/58/569489458.db2.gz JRXOYJVQGSQJCU-CQSZACIVSA-N 0 0 442.538 2.588 50 0 IFAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCN(c4ncccn4)CC3)c2)c1C ZINC000040121404 569489576 /nfs/dbraw/zinc/48/95/76/569489576.db2.gz GWQLAFIFGCHBMN-UHFFFAOYSA-N 0 0 435.488 2.502 50 0 IFAARN CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000008952238 569490007 /nfs/dbraw/zinc/49/00/07/569490007.db2.gz CTAWYAGATDHPST-UHFFFAOYSA-N 0 0 426.469 2.723 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2cccs2)ccc1=O ZINC000008954935 569490051 /nfs/dbraw/zinc/49/00/51/569490051.db2.gz IUVLJRVGWXBSDZ-UHFFFAOYSA-N 0 0 425.919 2.612 50 0 IFAARN COc1ccc(-c2nn(CC(=O)Nc3ccc(C(N)=O)cc3)c(=O)c3nc(C)sc32)cc1 ZINC000008955405 569490139 /nfs/dbraw/zinc/49/01/39/569490139.db2.gz GIGOLELTTHHAHU-UHFFFAOYSA-N 0 0 449.492 2.575 50 0 IFAARN C[C@@]12CCC(=O)N1[C@H](C(=O)NC1CCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 ZINC000040134439 569490538 /nfs/dbraw/zinc/49/05/38/569490538.db2.gz UPCCZQSAXWKURL-KBXCAEBGSA-N 0 0 428.480 2.639 50 0 IFAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000008965163 569491357 /nfs/dbraw/zinc/49/13/57/569491357.db2.gz GKQVFVBEHRWRTJ-UHFFFAOYSA-N 0 0 430.464 2.849 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)COC2CCCCC2)c(=O)[nH]c1=O ZINC000040140485 569491614 /nfs/dbraw/zinc/49/16/14/569491614.db2.gz PJILYYGPCRXNJO-UHFFFAOYSA-N 0 0 428.533 2.801 50 0 IFAARN C[C@H](C(=O)Nc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1)n1cncn1 ZINC000040141996 569491801 /nfs/dbraw/zinc/49/18/01/569491801.db2.gz QGAPDOGVMCFXOD-CYBMUJFWSA-N 0 0 440.895 2.774 50 0 IFAARN C[C@@H](SCc1ccccc1)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000040141938 569491803 /nfs/dbraw/zinc/49/18/03/569491803.db2.gz CWJGLTGMWRTKMF-GOSISDBHSA-N 0 0 439.647 2.962 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1)n1cncn1 ZINC000040141993 569491858 /nfs/dbraw/zinc/49/18/58/569491858.db2.gz QGAPDOGVMCFXOD-ZDUSSCGKSA-N 0 0 440.895 2.774 50 0 IFAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c12 ZINC000040143360 569491868 /nfs/dbraw/zinc/49/18/68/569491868.db2.gz XSEXEIWFRJVIDT-UHFFFAOYSA-N 0 0 441.557 2.950 50 0 IFAARN COC(=O)c1cccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 ZINC000040144493 569492036 /nfs/dbraw/zinc/49/20/36/569492036.db2.gz ADOUHGZMOVOODA-UHFFFAOYSA-N 0 0 428.798 2.898 50 0 IFAARN O=C(CNC(=O)c1cnc2ccccc2c1O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000040145194 569492102 /nfs/dbraw/zinc/49/21/02/569492102.db2.gz URUYMPLIOPNPFW-OAHLLOKOSA-N 0 0 429.480 2.540 50 0 IFAARN C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C[C@@H](C)O1 ZINC000040145612 569492169 /nfs/dbraw/zinc/49/21/69/569492169.db2.gz YCTQVVINJPXNKT-IAGOWNOFSA-N 0 0 447.557 2.926 50 0 IFAARN Cc1cccc(NC(=O)C2CCN(CN3C(=O)NC4(C3=O)[C@H](C)CCC[C@H]4C)CC2)n1 ZINC000040149139 569492414 /nfs/dbraw/zinc/49/24/14/569492414.db2.gz YYGPCWIFYJFTGJ-HZPDHXFCSA-N 0 0 427.549 2.745 50 0 IFAARN COc1cc([C@H]2OCCn3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000008971667 569492760 /nfs/dbraw/zinc/49/27/60/569492760.db2.gz ORCDBPPULHCIMB-HSZRJFAPSA-N 0 0 447.491 2.848 50 0 IFAARN CCOC(=O)c1sc(NC(=O)N2CCC(CC(N)=O)CC2)c(C(=O)OCC)c1C ZINC000040149922 569493087 /nfs/dbraw/zinc/49/30/87/569493087.db2.gz CAWFOTAGOHHGFN-UHFFFAOYSA-N 0 0 425.507 2.529 50 0 IFAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)N1CCC[C@H](C(=O)Nc2nncs2)C1 ZINC000040151022 569493223 /nfs/dbraw/zinc/49/32/23/569493223.db2.gz WLZGCOXLOTZHAH-AWEZNQCLSA-N 0 0 435.937 2.579 50 0 IFAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 ZINC000040152721 569493504 /nfs/dbraw/zinc/49/35/04/569493504.db2.gz XPWFMQPJMWZBQV-FQEVSTJZSA-N 0 0 427.545 2.599 50 0 IFAARN Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000040153078 569493529 /nfs/dbraw/zinc/49/35/29/569493529.db2.gz MOKAXGKCRSMTCD-UHFFFAOYSA-N 0 0 446.433 2.715 50 0 IFAARN COc1ccc2cc([C@H](C)C(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)ccc2c1 ZINC000040157459 569494290 /nfs/dbraw/zinc/49/42/90/569494290.db2.gz MPVDRXOPKIWHIS-BBWFWOEESA-N 0 0 434.558 2.507 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)N(CC(C)C)C(C)C)CC2)cc1 ZINC000040158446 569494621 /nfs/dbraw/zinc/49/46/21/569494621.db2.gz HWVAMXAQHHUKMZ-UHFFFAOYSA-N 0 0 438.594 2.874 50 0 IFAARN Cc1ccc(C2=NN(C(=O)COC(=O)CNC(=O)c3ccco3)[C@H](c3ccco3)C2)cc1 ZINC000040159024 569494633 /nfs/dbraw/zinc/49/46/33/569494633.db2.gz AHXFTSGHYCFRGX-SFHVURJKSA-N 0 0 435.436 2.832 50 0 IFAARN Cc1csc(NC(=O)COC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)n1 ZINC000040159194 569494678 /nfs/dbraw/zinc/49/46/78/569494678.db2.gz KSPSEFGCNJSFRC-MRVPVSSYSA-N 0 0 442.280 2.925 50 0 IFAARN COc1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1NC(C)=O ZINC000008986880 569494812 /nfs/dbraw/zinc/49/48/12/569494812.db2.gz VATIDQUMGAQEAV-GOSISDBHSA-N 0 0 432.498 2.951 50 0 IFAARN COc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000008988195 569494938 /nfs/dbraw/zinc/49/49/38/569494938.db2.gz ARNZTKVMTJNAIB-UHFFFAOYSA-N 0 0 442.896 2.690 50 0 IFAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)(C3)C2 ZINC000040159945 569495055 /nfs/dbraw/zinc/49/50/55/569495055.db2.gz HHDWKJSKTPSSDK-RGMRCXJASA-N 0 0 433.574 2.787 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000040161252 569495163 /nfs/dbraw/zinc/49/51/63/569495163.db2.gz FHJMPBOOGWTJPU-RTBURBONSA-N 0 0 447.576 2.658 50 0 IFAARN COc1ccc(-c2csc(CCN3C(=S)S[C@@H]4CS(=O)(=O)C[C@@H]43)n2)cc1 ZINC000008997774 569495961 /nfs/dbraw/zinc/49/59/61/569495961.db2.gz VHLDFWDCDUQSMF-LSDHHAIUSA-N 0 0 426.610 2.861 50 0 IFAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccccn2)c1=O)c1ccc2c(c1)CCCC2 ZINC000009000937 569495968 /nfs/dbraw/zinc/49/59/68/569495968.db2.gz YBTLBDZBUNDJRU-UHFFFAOYSA-N 0 0 426.476 2.763 50 0 IFAARN CCCCc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)cc1 ZINC000009001479 569495989 /nfs/dbraw/zinc/49/59/89/569495989.db2.gz SCIHUNNISYWUSX-UHFFFAOYSA-N 0 0 443.507 2.983 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)c(C)c1 ZINC000009001577 569495998 /nfs/dbraw/zinc/49/59/98/569495998.db2.gz FOAHWEVASPGZSS-UHFFFAOYSA-N 0 0 429.480 2.565 50 0 IFAARN O=C(NCCn1ncc2c1ncn(Cc1cccc(C(F)(F)F)c1)c2=O)c1ccco1 ZINC000009016469 569496853 /nfs/dbraw/zinc/49/68/53/569496853.db2.gz WSGKDZIYGRXAQV-UHFFFAOYSA-N 0 0 431.374 2.683 50 0 IFAARN CCCn1c(N)c(C(=O)CSc2nc3ccccc3n2CC(C)C)c(=O)n(C)c1=O ZINC000009022740 569497022 /nfs/dbraw/zinc/49/70/22/569497022.db2.gz XTISCKQATFMROJ-UHFFFAOYSA-N 0 0 429.546 2.520 50 0 IFAARN O=C1Nc2ccccc2/C1=c1/sc2n(c1=O)[C@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000009034192 569497260 /nfs/dbraw/zinc/49/72/60/569497260.db2.gz DHODWVJCTVYWEF-DQVIVYRFSA-N 0 0 436.496 2.688 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)CC1 ZINC000040267533 569497486 /nfs/dbraw/zinc/49/74/86/569497486.db2.gz NIFZTNVUVUTKDT-UHFFFAOYSA-N 0 0 438.575 2.642 50 0 IFAARN CO[C@H]1CCN(c2ccc(C(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)cc2)C1 ZINC000245174042 569498020 /nfs/dbraw/zinc/49/80/20/569498020.db2.gz YHSNRHSEURHWGO-FQEVSTJZSA-N 0 0 428.554 2.990 50 0 IFAARN CC(C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccccc1 ZINC000009045175 569498099 /nfs/dbraw/zinc/49/80/99/569498099.db2.gz ALBSMHDTCCATAY-SKPFHBQLSA-N 0 0 437.565 2.756 50 0 IFAARN Nn1c(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1F ZINC000009048721 569498562 /nfs/dbraw/zinc/49/85/62/569498562.db2.gz PQWQAUGYNOBLPH-UHFFFAOYSA-N 0 0 444.536 2.685 50 0 IFAARN O=S(=O)(c1ccc(OCCOc2cccc(Br)c2)cc1)N1CCOCC1 ZINC000009054455 569498925 /nfs/dbraw/zinc/49/89/25/569498925.db2.gz QTLXDSFHVYMIIV-UHFFFAOYSA-N 0 0 442.331 2.928 50 0 IFAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000069291748 569499613 /nfs/dbraw/zinc/49/96/13/569499613.db2.gz DGLDEDDVDFSSPW-LPHOPBHVSA-N 0 0 440.009 2.515 50 0 IFAARN CC(=O)N[C@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@H]1Oc1ccc(C(C)(C)C)cc1 ZINC000245228773 569499963 /nfs/dbraw/zinc/49/99/63/569499963.db2.gz FKJUUKVGJGPQSF-BGJURXJTSA-N 0 0 431.485 2.661 50 0 IFAARN C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000009070606 569500055 /nfs/dbraw/zinc/50/00/55/569500055.db2.gz VSDZQUZKNFIAQN-VIFPVBQESA-N 0 0 426.416 2.954 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)N[C@@H]3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 ZINC000245245404 569501198 /nfs/dbraw/zinc/50/11/98/569501198.db2.gz IXXNHPFDINBNPD-JXXFODFXSA-N 0 0 447.601 2.690 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCCOc1ccccc1F)n2C ZINC000009093232 569501236 /nfs/dbraw/zinc/50/12/36/569501236.db2.gz IIVLTCSSJJMARY-UHFFFAOYSA-N 0 0 449.504 2.518 50 0 IFAARN CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1 ZINC000009094906 569501273 /nfs/dbraw/zinc/50/12/73/569501273.db2.gz LGSUMGHFUZQOPB-UHFFFAOYSA-N 0 0 444.557 2.564 50 0 IFAARN CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)Nc1ccc(F)cc1Cl ZINC000009112312 569502364 /nfs/dbraw/zinc/50/23/64/569502364.db2.gz DRXZKLSXTIAOHM-OAQYLSRUSA-N 0 0 445.834 2.570 50 0 IFAARN COC(=O)CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000009114012 569502590 /nfs/dbraw/zinc/50/25/90/569502590.db2.gz VAJCKBNMBMKEOT-UHFFFAOYSA-N 0 0 444.431 2.680 50 0 IFAARN O=C(CN1c2cccnc2Sc2ccccc2C1=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009114944 569502616 /nfs/dbraw/zinc/50/26/16/569502616.db2.gz RXVZHTULHJCPSO-UHFFFAOYSA-N 0 0 448.504 2.771 50 0 IFAARN CC(C)Cn1c2ccccc2nc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 ZINC000009115575 569502749 /nfs/dbraw/zinc/50/27/49/569502749.db2.gz PGCMVUQBNCDXFV-UHFFFAOYSA-N 0 0 428.558 2.972 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)NC3CCC(C)CC3)ccc2N1C(=O)C1CC1 ZINC000009117149 569503029 /nfs/dbraw/zinc/50/30/29/569503029.db2.gz LTHCGWBOAXEOOT-WUJZJPHMSA-N 0 0 447.601 2.690 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)NC3CCC(C)CC3)ccc2N1C(=O)C1CC1 ZINC000009117150 569503047 /nfs/dbraw/zinc/50/30/47/569503047.db2.gz LTHCGWBOAXEOOT-KOHRHEQBSA-N 0 0 447.601 2.690 50 0 IFAARN Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000009117126 569503051 /nfs/dbraw/zinc/50/30/51/569503051.db2.gz VKCDQMVKWXUWQJ-MRXNPFEDSA-N 0 0 441.553 2.942 50 0 IFAARN COc1cccc(Nc2nnc(SCC(=O)Nc3ccc(-n4cnnn4)cc3)s2)c1 ZINC000009118160 569503217 /nfs/dbraw/zinc/50/32/17/569503217.db2.gz ONUJRDAIFUDAGG-UHFFFAOYSA-N 0 0 440.514 2.997 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)Nc3ccc(C)cn3)C(C)C)cc2C[C@@H]1C ZINC000009118203 569503264 /nfs/dbraw/zinc/50/32/64/569503264.db2.gz DYOJRGVZQGDGAZ-BTYIYWSLSA-N 0 0 444.557 2.629 50 0 IFAARN O=C(CSc1ncnc2ccccc21)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009119444 569503516 /nfs/dbraw/zinc/50/35/16/569503516.db2.gz BLNUCNJCKBOPSX-QGZVFWFLSA-N 0 0 427.551 2.938 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009119717 569503619 /nfs/dbraw/zinc/50/36/19/569503619.db2.gz MVZMDRKMADEODX-OAHLLOKOSA-N 0 0 449.960 2.751 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)CNc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009119718 569503633 /nfs/dbraw/zinc/50/36/33/569503633.db2.gz MVZMDRKMADEODX-HNNXBMFYSA-N 0 0 449.960 2.751 50 0 IFAARN COc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C(=O)NCC(C)C)c(OC)c1 ZINC000245327918 569503807 /nfs/dbraw/zinc/50/38/07/569503807.db2.gz LJQPQXVJRNWJDJ-LEWJYISDSA-N 0 0 446.569 2.880 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000009124842 569504404 /nfs/dbraw/zinc/50/44/04/569504404.db2.gz RHQBHDPBHBUSMU-XLIONFOSSA-N 0 0 448.523 2.887 50 0 IFAARN Cc1cc(Cl)ccc1OCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000009124953 569504513 /nfs/dbraw/zinc/50/45/13/569504513.db2.gz NPIPSCSUESSBDO-UHFFFAOYSA-N 0 0 444.887 2.839 50 0 IFAARN O=C(Cc1ccsc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009125464 569504618 /nfs/dbraw/zinc/50/46/18/569504618.db2.gz GWSATLRBTDEYDG-UHFFFAOYSA-N 0 0 435.571 2.550 50 0 IFAARN CCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000009125984 569504753 /nfs/dbraw/zinc/50/47/53/569504753.db2.gz DEPPKTZRFFHZLI-HSZRJFAPSA-N 0 0 437.452 2.804 50 0 IFAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000009126278 569504848 /nfs/dbraw/zinc/50/48/48/569504848.db2.gz XZKKVDZEBCKMDO-KRWDZBQOSA-N 0 0 427.551 2.935 50 0 IFAARN CCCn1c(N)c(C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)c(=O)[nH]c1=O ZINC000009126658 569504989 /nfs/dbraw/zinc/50/49/89/569504989.db2.gz RUIMNIXLDYRHQT-UHFFFAOYSA-N 0 0 439.541 2.568 50 0 IFAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000009128826 569505531 /nfs/dbraw/zinc/50/55/31/569505531.db2.gz LIXLMKGVTQIFEU-KRWDZBQOSA-N 0 0 446.525 2.508 50 0 IFAARN Cc1cc(C)c(C(=O)OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000009129112 569505621 /nfs/dbraw/zinc/50/56/21/569505621.db2.gz QBJHAJUPDYZGKR-HXUWFJFHSA-N 0 0 429.538 2.985 50 0 IFAARN O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009129922 569505932 /nfs/dbraw/zinc/50/59/32/569505932.db2.gz HPWWBRBPLKJYHX-UHFFFAOYSA-N 0 0 431.539 2.876 50 0 IFAARN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc2ccccn21 ZINC000009130441 569506027 /nfs/dbraw/zinc/50/60/27/569506027.db2.gz FGYLRRPPJTZCLP-KRWDZBQOSA-N 0 0 441.557 2.714 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NCCC1=CCCCC1 ZINC000040477225 569506663 /nfs/dbraw/zinc/50/66/63/569506663.db2.gz XKARXLBCUMPOOQ-UHFFFAOYSA-N 0 0 426.908 2.696 50 0 IFAARN Cc1ccc(Cn2nnc3c2ncn(CC(=O)Nc2ccc(F)c(Cl)c2)c3=O)cc1 ZINC000040478030 569506689 /nfs/dbraw/zinc/50/66/89/569506689.db2.gz CQBCAPDWOXDVQZ-UHFFFAOYSA-N 0 0 426.839 2.776 50 0 IFAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2c(C)cc(C)cc2C)c3=O)c1 ZINC000040478133 569506713 /nfs/dbraw/zinc/50/67/13/569506713.db2.gz QZJYXOHDTFAFPZ-UHFFFAOYSA-N 0 0 432.484 2.609 50 0 IFAARN O=C(OCN1C(=O)c2ccccc2C1=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000009135648 569507113 /nfs/dbraw/zinc/50/71/13/569507113.db2.gz RBDAJBQBYNKNRW-UHFFFAOYSA-N 0 0 439.427 2.855 50 0 IFAARN CCN(C(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(OC)cc1 ZINC000009151690 569507547 /nfs/dbraw/zinc/50/75/47/569507547.db2.gz DZEFKZDJHFVRFI-CQSZACIVSA-N 0 0 432.498 2.632 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000009151649 569507571 /nfs/dbraw/zinc/50/75/71/569507571.db2.gz KLBRNTHQJIAXOS-LLVKDONJSA-N 0 0 438.889 2.871 50 0 IFAARN COc1ccc(C)cc1NC(=O)C[C@H](C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000009151831 569507641 /nfs/dbraw/zinc/50/76/41/569507641.db2.gz RIVBQJWZJGKMOK-AWEZNQCLSA-N 0 0 432.498 2.834 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2=O)C1=O ZINC000009154300 569508178 /nfs/dbraw/zinc/50/81/78/569508178.db2.gz FQJLHYPFZUWFPA-DEOSSOPVSA-N 0 0 434.496 2.695 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2=O)C1=O ZINC000009154301 569508199 /nfs/dbraw/zinc/50/81/99/569508199.db2.gz FQJLHYPFZUWFPA-XMMPIXPASA-N 0 0 434.496 2.695 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O ZINC000009167951 569509083 /nfs/dbraw/zinc/50/90/83/569509083.db2.gz APROFPFSNCZRBP-UHFFFAOYSA-N 0 0 441.509 2.621 50 0 IFAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000009171733 569509462 /nfs/dbraw/zinc/50/94/62/569509462.db2.gz VOQJERJAFWHZOW-UHFFFAOYSA-N 0 0 448.884 2.988 50 0 IFAARN O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009184536 569509959 /nfs/dbraw/zinc/50/99/59/569509959.db2.gz STKUEEGDUXCSPB-INIZCTEOSA-N 0 0 445.516 2.992 50 0 IFAARN COc1ccc(CN(C(=O)COc2c(C)cccc2C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000009190632 569510604 /nfs/dbraw/zinc/51/06/04/569510604.db2.gz NUIIUJCDICIRJT-LJQANCHMSA-N 0 0 447.553 2.915 50 0 IFAARN Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3cccc(F)c3)n2)cc1 ZINC000009193424 569510880 /nfs/dbraw/zinc/51/08/80/569510880.db2.gz JKFKYAOGOXXFSH-UHFFFAOYSA-N 0 0 438.507 2.983 50 0 IFAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)c1 ZINC000009215921 569512097 /nfs/dbraw/zinc/51/20/97/569512097.db2.gz GZTQCXJVWRACPJ-UHFFFAOYSA-N 0 0 434.525 2.871 50 0 IFAARN CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000009216876 569512219 /nfs/dbraw/zinc/51/22/19/569512219.db2.gz LHUGVOQXHIHALB-VBKZILBWSA-N 0 0 443.525 2.940 50 0 IFAARN CCCCN1C(=O)C[C@H](C(=O)Nc2cccc(-n3cnnn3)c2)[C@H]1c1ccc(OC)cc1 ZINC000009224010 569513056 /nfs/dbraw/zinc/51/30/56/569513056.db2.gz PHKWQCLAICURPS-RBBKRZOGSA-N 0 0 434.500 2.999 50 0 IFAARN COc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(Br)cc2)c1N ZINC000009227015 569513333 /nfs/dbraw/zinc/51/33/33/569513333.db2.gz ADUVLWGMCTUJEO-UHFFFAOYSA-N 0 0 445.277 2.522 50 0 IFAARN Cc1c(C(=O)NCc2ccccc2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 ZINC000069703095 569513693 /nfs/dbraw/zinc/51/36/93/569513693.db2.gz LFSGHDCRBYGHOI-UHFFFAOYSA-N 0 0 432.528 2.982 50 0 IFAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCCC(=O)Nc2ccc(C)cn2)c1 ZINC000069705229 569513765 /nfs/dbraw/zinc/51/37/65/569513765.db2.gz DULANGQZDPYRHN-UHFFFAOYSA-N 0 0 425.489 2.927 50 0 IFAARN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCC(C(=O)OCC)CC1 ZINC000009235661 569514042 /nfs/dbraw/zinc/51/40/42/569514042.db2.gz GTGBOJZBOFOUNF-UHFFFAOYSA-N 0 0 445.516 2.957 50 0 IFAARN CCN(CC)C(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)c(Br)c1 ZINC000009238837 569514384 /nfs/dbraw/zinc/51/43/84/569514384.db2.gz YZFNBONPRWVJSB-GJZGRUSLSA-N 0 0 440.367 2.985 50 0 IFAARN COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009243075 569514810 /nfs/dbraw/zinc/51/48/10/569514810.db2.gz GGQKKIINWSWFBC-OAQYLSRUSA-N 0 0 439.468 3.000 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c1 ZINC000009244396 569515023 /nfs/dbraw/zinc/51/50/23/569515023.db2.gz IUFHZXPEJNGCNO-UHFFFAOYSA-N 0 0 425.466 2.604 50 0 IFAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1-c1nccs1 ZINC000009244862 569515162 /nfs/dbraw/zinc/51/51/62/569515162.db2.gz ZKSOCFMWTGRLQT-JOCHJYFZSA-N 0 0 436.493 2.963 50 0 IFAARN O=C(Cn1nnc2ccccc21)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009245351 569515309 /nfs/dbraw/zinc/51/53/09/569515309.db2.gz IXVHWKFPNSEFGI-UHFFFAOYSA-N 0 0 433.921 2.898 50 0 IFAARN O=C(COC(=O)c1c[nH]c2ccccc12)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000009245734 569515366 /nfs/dbraw/zinc/51/53/66/569515366.db2.gz RKGADGFOOYEBLD-UHFFFAOYSA-N 0 0 429.230 2.896 50 0 IFAARN CCNS(=O)(=O)c1ccc(C)c(C(=O)O[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 ZINC000009253543 569516192 /nfs/dbraw/zinc/51/61/92/569516192.db2.gz OAEFQXHIVGVLMP-HNNXBMFYSA-N 0 0 434.514 2.869 50 0 IFAARN Cc1noc(C)c1CSc1ncccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000009253648 569516271 /nfs/dbraw/zinc/51/62/71/569516271.db2.gz UDLZHRQVPITQPE-UHFFFAOYSA-N 0 0 446.554 2.599 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)COC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c1C ZINC000009256897 569516763 /nfs/dbraw/zinc/51/67/63/569516763.db2.gz OGRGWAJCAZMYRZ-UHFFFAOYSA-N 0 0 445.560 2.767 50 0 IFAARN COc1cccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2C)c1 ZINC000009262085 569516989 /nfs/dbraw/zinc/51/69/89/569516989.db2.gz BGXXXFCKZWNAAR-UHFFFAOYSA-N 0 0 429.477 2.875 50 0 IFAARN Cc1csc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2C)n1 ZINC000009262420 569517063 /nfs/dbraw/zinc/51/70/63/569517063.db2.gz GEQFJCQVYFBXGD-LLVKDONJSA-N 0 0 434.522 2.941 50 0 IFAARN CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000009263697 569517192 /nfs/dbraw/zinc/51/71/92/569517192.db2.gz UUNNWULZVSTCFB-UHFFFAOYSA-N 0 0 439.497 2.939 50 0 IFAARN COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1C ZINC000009263817 569517241 /nfs/dbraw/zinc/51/72/41/569517241.db2.gz YZQNKDGPYJPVKK-UHFFFAOYSA-N 0 0 429.477 2.624 50 0 IFAARN Cc1c(C(=O)N(C)Cc2ccco2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 ZINC000069774913 569517646 /nfs/dbraw/zinc/51/76/46/569517646.db2.gz BUUCJPJEQKAUOW-UHFFFAOYSA-N 0 0 436.516 2.917 50 0 IFAARN Cc1cc(C)cc(N2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009269413 569517667 /nfs/dbraw/zinc/51/76/67/569517667.db2.gz YEPISOALXVRNDB-LEWJYISDSA-N 0 0 441.553 2.967 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)Nc1cccc(Cl)c1 ZINC000009278124 569518504 /nfs/dbraw/zinc/51/85/04/569518504.db2.gz CLLAUXKPAQUZAK-UHFFFAOYSA-N 0 0 429.267 2.982 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)Cn2c3ccccc3nc(-c3nccn3C)c2=O)cc1C ZINC000009282976 569518801 /nfs/dbraw/zinc/51/88/01/569518801.db2.gz GMJZMZJJXLLLKM-UHFFFAOYSA-N 0 0 445.479 2.596 50 0 IFAARN CC(=O)c1ccc(O[C@@H](C)C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000009283484 569518913 /nfs/dbraw/zinc/51/89/13/569518913.db2.gz JJFBARSHZUVUAV-ZDUSSCGKSA-N 0 0 444.509 2.878 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)Nc1cccc(F)c1 ZINC000009283452 569518935 /nfs/dbraw/zinc/51/89/35/569518935.db2.gz MSKSWMOVJJIIAW-UHFFFAOYSA-N 0 0 439.420 2.998 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1 ZINC000009284129 569519009 /nfs/dbraw/zinc/51/90/09/569519009.db2.gz CNIPJOCXZYAOTI-UHFFFAOYSA-N 0 0 445.522 2.790 50 0 IFAARN CCOc1ccccc1CNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000009287593 569519301 /nfs/dbraw/zinc/51/93/01/569519301.db2.gz AJYWWUGAOMOTSN-UHFFFAOYSA-N 0 0 429.546 2.596 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000009300762 569520650 /nfs/dbraw/zinc/52/06/50/569520650.db2.gz KWUCVLDDOWZLJW-INIZCTEOSA-N 0 0 439.578 2.658 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000009300599 569520662 /nfs/dbraw/zinc/52/06/62/569520662.db2.gz YXXZAJZYDQZORQ-UHFFFAOYSA-N 0 0 439.578 2.658 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1cccc2c1CCCC2 ZINC000009301043 569520675 /nfs/dbraw/zinc/52/06/75/569520675.db2.gz GUJGXKIJPLYCDF-UHFFFAOYSA-N 0 0 433.530 2.604 50 0 IFAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)no1 ZINC000009302619 569520854 /nfs/dbraw/zinc/52/08/54/569520854.db2.gz YPEQOEBOCSTMRV-PSFFPDNBSA-N 0 0 435.358 2.807 50 0 IFAARN O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009303947 569521126 /nfs/dbraw/zinc/52/11/26/569521126.db2.gz MZVWRUPUDMQSLC-INIZCTEOSA-N 0 0 445.516 2.992 50 0 IFAARN O=C(NCCc1cccs1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009305408 569521256 /nfs/dbraw/zinc/52/12/56/569521256.db2.gz HOARONGQZUJODT-ZDUSSCGKSA-N 0 0 436.584 2.512 50 0 IFAARN C[C@H]1CCc2sc3c(c2C1)-c1ncnn1-c1nnc(SCC(=O)N2CCCC2)n1-3 ZINC000009307353 569521395 /nfs/dbraw/zinc/52/13/95/569521395.db2.gz YLUCLMIIVNAATE-NSHDSACASA-N 0 0 427.559 2.729 50 0 IFAARN C[C@@H]1Cn2c3c(nc2N(CCc2ccccc2)C1)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000009307925 569521448 /nfs/dbraw/zinc/52/14/48/569521448.db2.gz GZBFPWVADDGCDT-IBGZPJMESA-N 0 0 443.551 2.838 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(CCCc2ccccc2)c1=O)CCCN3Cc1ccccc1 ZINC000009308650 569521531 /nfs/dbraw/zinc/52/15/31/569521531.db2.gz YLMUVYSQTJSQGC-UHFFFAOYSA-N 0 0 429.524 2.940 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009313988 569521971 /nfs/dbraw/zinc/52/19/71/569521971.db2.gz HLRSUOOYGGUJEN-LPHOPBHVSA-N 0 0 430.526 2.878 50 0 IFAARN C[C@@H]1CCc2nc(NC(=O)c3nn([C@H]4CCS(=O)(=O)C4)c4c3CCCC4)sc2C1 ZINC000040988238 569523258 /nfs/dbraw/zinc/52/32/58/569523258.db2.gz ISZCLNQQYLQFFO-OLZOCXBDSA-N 0 0 434.587 2.955 50 0 IFAARN C[C@H]1CCc2nc(NC(=O)c3nn([C@H]4CCS(=O)(=O)C4)c4c3CCCC4)sc2C1 ZINC000040988240 569523284 /nfs/dbraw/zinc/52/32/84/569523284.db2.gz ISZCLNQQYLQFFO-STQMWFEESA-N 0 0 434.587 2.955 50 0 IFAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000009336196 569523380 /nfs/dbraw/zinc/52/33/80/569523380.db2.gz ULSACIUNLUAHTQ-UHFFFAOYSA-N 0 0 442.944 2.787 50 0 IFAARN CC1(C)Cc2cccc(OCC(=O)NN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)c2O1 ZINC000009336174 569523385 /nfs/dbraw/zinc/52/33/85/569523385.db2.gz NOEFASZDELOPPX-DEOSSOPVSA-N 0 0 437.496 2.753 50 0 IFAARN CS(=O)(=O)c1cccc(NC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1 ZINC000009336789 569523437 /nfs/dbraw/zinc/52/34/37/569523437.db2.gz NFVQEVMLGPBQLM-UHFFFAOYSA-N 0 0 439.489 2.508 50 0 IFAARN Cc1ccc(C)c(-n2ccnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000009336620 569523479 /nfs/dbraw/zinc/52/34/79/569523479.db2.gz UWINIMMEUMADCJ-UHFFFAOYSA-N 0 0 427.530 2.867 50 0 IFAARN O=C(NCCCn1cnc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000009337978 569523543 /nfs/dbraw/zinc/52/35/43/569523543.db2.gz WZMWMRAMZNSGDU-MRXNPFEDSA-N 0 0 432.571 2.705 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccco1)n2CC ZINC000009339464 569523794 /nfs/dbraw/zinc/52/37/94/569523794.db2.gz MBDQPUPGKHIBRO-UHFFFAOYSA-N 0 0 432.546 2.929 50 0 IFAARN CSCC[C@@H](NC(=O)CCCn1nnc(-c2ccccc2)n1)c1nnc2ccccn21 ZINC000069923661 569523992 /nfs/dbraw/zinc/52/39/92/569523992.db2.gz MAZBWUABADYAHU-QGZVFWFLSA-N 0 0 436.545 2.774 50 0 IFAARN O=C(c1ccc(Br)o1)N(CCS(=O)(=O)N1CCCC1)Cc1cccnc1 ZINC000009344663 569523998 /nfs/dbraw/zinc/52/39/98/569523998.db2.gz QPTPNJSWJVQPPF-UHFFFAOYSA-N 0 0 442.335 2.505 50 0 IFAARN CCOC(=O)N1CCc2c(sc(NC(=O)[C@H]3COc4ccccc4O3)c2C(=O)OC)C1 ZINC000009347570 569524287 /nfs/dbraw/zinc/52/42/87/569524287.db2.gz YVGUYLLMDVNOTP-OAHLLOKOSA-N 0 0 446.481 2.828 50 0 IFAARN CN(CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000009349043 569524642 /nfs/dbraw/zinc/52/46/42/569524642.db2.gz SUSXXPDSWDHZNB-INIZCTEOSA-N 0 0 446.594 2.915 50 0 IFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000009349072 569524648 /nfs/dbraw/zinc/52/46/48/569524648.db2.gz VDCJYALFENUNFI-LJQANCHMSA-N 0 0 437.543 2.568 50 0 IFAARN COc1ccc2[nH]c(SCC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)nc2c1 ZINC000009349371 569524753 /nfs/dbraw/zinc/52/47/53/569524753.db2.gz BKAIISYWLDKSCX-INIZCTEOSA-N 0 0 445.566 2.880 50 0 IFAARN CC(C)n1ncc2cc(NC(=O)N3CCN(CC(=O)N4CCCC[C@H]4C)CC3)cnc21 ZINC000069950898 569525345 /nfs/dbraw/zinc/52/53/45/569525345.db2.gz RBWQIMKZRXKUAY-QGZVFWFLSA-N 0 0 427.553 2.563 50 0 IFAARN Cc1cccc(N2CCN(CCNC(=O)[C@H]3CCCN3C(=O)C3CCCCC3)CC2)c1 ZINC000069968962 569525937 /nfs/dbraw/zinc/52/59/37/569525937.db2.gz CHMAPFUGIUZXOS-HSZRJFAPSA-N 0 0 426.605 2.805 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nccn2Cc2ccccc2)C1=O ZINC000009367310 569526423 /nfs/dbraw/zinc/52/64/23/569526423.db2.gz LTZBJOCNGTXJPU-QHCPKHFHSA-N 0 0 449.536 2.912 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1nn2c(nnc2-c2cccc(Cl)c2)s1 ZINC000041076552 569526429 /nfs/dbraw/zinc/52/64/29/569526429.db2.gz VMKMEQWPOWHHRI-UHFFFAOYSA-N 0 0 438.856 2.741 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NCC(=O)N2CCc3ccccc32)c1 ZINC000009368534 569526646 /nfs/dbraw/zinc/52/66/46/569526646.db2.gz USUBUVSTAQVEBB-UHFFFAOYSA-N 0 0 430.574 2.784 50 0 IFAARN Cn1c(SCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1-c1ccco1 ZINC000009377212 569527431 /nfs/dbraw/zinc/52/74/31/569527431.db2.gz OGRAYHDKXUMZII-UHFFFAOYSA-N 0 0 432.527 2.835 50 0 IFAARN CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3c(F)cccc3Cl)C2)cc1 ZINC000009382130 569528205 /nfs/dbraw/zinc/52/82/05/569528205.db2.gz MELADLJXLPKILN-MRXNPFEDSA-N 0 0 445.925 2.961 50 0 IFAARN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000009385122 569528378 /nfs/dbraw/zinc/52/83/78/569528378.db2.gz HSBFVRPDBHDLIZ-UHFFFAOYSA-N 0 0 434.905 2.670 50 0 IFAARN COc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(S(C)(=O)=O)cc3)nc21 ZINC000009385965 569528457 /nfs/dbraw/zinc/52/84/57/569528457.db2.gz LWDWXBMHSVKTMB-UHFFFAOYSA-N 0 0 433.555 2.917 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000009389167 569528560 /nfs/dbraw/zinc/52/85/60/569528560.db2.gz OSIKJQCQIWLTEJ-UHFFFAOYSA-N 0 0 430.526 2.580 50 0 IFAARN CCCCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000009391627 569528990 /nfs/dbraw/zinc/52/89/90/569528990.db2.gz VQZWGVGRCBZHQY-SJORKVTESA-N 0 0 429.542 2.785 50 0 IFAARN CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000009392271 569529087 /nfs/dbraw/zinc/52/90/87/569529087.db2.gz BMMCEWLHWSVUEY-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2C[C@@H]1C ZINC000009396970 569529228 /nfs/dbraw/zinc/52/92/28/569529228.db2.gz QQAOPHVFGSYUTH-KRWDZBQOSA-N 0 0 447.601 2.787 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3cc(C)ccc3C)cc2C[C@H]1C ZINC000009396882 569529242 /nfs/dbraw/zinc/52/92/42/569529242.db2.gz CSSSNSIZEZTYRV-MRXNPFEDSA-N 0 0 429.542 2.860 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2C[C@H]1C ZINC000009396969 569529255 /nfs/dbraw/zinc/52/92/55/569529255.db2.gz QQAOPHVFGSYUTH-QGZVFWFLSA-N 0 0 447.601 2.787 50 0 IFAARN COc1cccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccccc2)c1 ZINC000009405101 569529798 /nfs/dbraw/zinc/52/97/98/569529798.db2.gz HMIDBFDKNQHSAE-UHFFFAOYSA-N 0 0 433.493 2.974 50 0 IFAARN Cc1cccc(C)c1NC(=O)Cn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000009408072 569530427 /nfs/dbraw/zinc/53/04/27/569530427.db2.gz RCNUNTRCPDDQFC-UHFFFAOYSA-N 0 0 429.498 2.635 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccccc2C)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009408271 569530565 /nfs/dbraw/zinc/53/05/65/569530565.db2.gz IMPVFKXOLVONFW-RBUKOAKNSA-N 0 0 445.566 2.717 50 0 IFAARN CCOC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)CCc1ccc(OC)cc1 ZINC000009413486 569531784 /nfs/dbraw/zinc/53/17/84/569531784.db2.gz KQOJWZWCWWVVRQ-UHFFFAOYSA-N 0 0 428.441 2.696 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000009414554 569532008 /nfs/dbraw/zinc/53/20/08/569532008.db2.gz UDDDHWHLYOZMEB-UHFFFAOYSA-N 0 0 440.529 2.868 50 0 IFAARN COc1ccc(N(C(=O)c2ccc(OC)c(OC)c2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000009416102 569532257 /nfs/dbraw/zinc/53/22/57/569532257.db2.gz BHMAQHFYJCNMRD-HNNXBMFYSA-N 0 0 433.482 2.679 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000009416558 569532349 /nfs/dbraw/zinc/53/23/49/569532349.db2.gz PZKDYCQFYREUOP-UHFFFAOYSA-N 0 0 431.452 2.624 50 0 IFAARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1OC ZINC000009420399 569532672 /nfs/dbraw/zinc/53/26/72/569532672.db2.gz AQGSTIPZXRGTNT-SFHVURJKSA-N 0 0 429.395 2.577 50 0 IFAARN CCN(C(=O)CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009429431 569533695 /nfs/dbraw/zinc/53/36/95/569533695.db2.gz CGXMJYICEXVMJR-MKCGOYBRSA-N 0 0 448.566 2.705 50 0 IFAARN COc1ccc(/C=C2\SC(=O)N(CCC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 ZINC000009429887 569533824 /nfs/dbraw/zinc/53/38/24/569533824.db2.gz OBORWEBXDBVWFO-WRDGEJPTSA-N 0 0 440.521 2.841 50 0 IFAARN Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 ZINC000009429991 569533861 /nfs/dbraw/zinc/53/38/61/569533861.db2.gz KEBOBLQGCOVHLR-OAHLLOKOSA-N 0 0 434.525 2.951 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@@H]4c2ccc(C)cc2O)n(C)c(=O)n(C)c3=O)cc1 ZINC000009430111 569533889 /nfs/dbraw/zinc/53/38/89/569533889.db2.gz QKZHUYZHPJJLJF-HSZRJFAPSA-N 0 0 447.491 2.848 50 0 IFAARN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 ZINC000009438566 569534983 /nfs/dbraw/zinc/53/49/83/569534983.db2.gz YKOKHHRKTZZLGE-ROUUACIJSA-N 0 0 436.574 2.913 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)CCC(=O)N[C@H]1CCCc3ccccc31)OCC(=O)N2 ZINC000009440065 569535140 /nfs/dbraw/zinc/53/51/40/569535140.db2.gz OXLKCBCODUDIPZ-KRWDZBQOSA-N 0 0 428.510 2.684 50 0 IFAARN COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c(OC)c1 ZINC000009440511 569535241 /nfs/dbraw/zinc/53/52/41/569535241.db2.gz DPCHEAYYTRZOCL-UHFFFAOYSA-N 0 0 436.511 2.551 50 0 IFAARN COc1ccc(CNC(=O)CSc2nnc(-c3ccccc3OC)n2C)cc1OC ZINC000009440599 569535262 /nfs/dbraw/zinc/53/52/62/569535262.db2.gz WRKPCZYOVJRVPN-UHFFFAOYSA-N 0 0 428.514 2.916 50 0 IFAARN CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@]12c1cc(F)ccc1NC2=O ZINC000009446602 569535934 /nfs/dbraw/zinc/53/59/34/569535934.db2.gz HZDYOIJXRNORLZ-HSZRJFAPSA-N 0 0 434.427 2.684 50 0 IFAARN COC(=O)c1ccc(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 ZINC000009447387 569536030 /nfs/dbraw/zinc/53/60/30/569536030.db2.gz IALIETWQYPRFGJ-UHFFFAOYSA-N 0 0 435.480 2.922 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)C(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000009455266 569536694 /nfs/dbraw/zinc/53/66/94/569536694.db2.gz SFJCKSRFXYHMNM-UHFFFAOYSA-N 0 0 438.553 2.996 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)N1CCNC1=O ZINC000009456278 569536721 /nfs/dbraw/zinc/53/67/21/569536721.db2.gz GULNPTZJJSUGHT-UHFFFAOYSA-N 0 0 428.901 2.742 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1Br ZINC000009464941 569537774 /nfs/dbraw/zinc/53/77/74/569537774.db2.gz OQUHCQGXZLYZEW-UHFFFAOYSA-N 0 0 439.331 2.604 50 0 IFAARN CCCCN(C(=O)CSc1nc2cc(C)ccc2[nH]1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000009466860 569538245 /nfs/dbraw/zinc/53/82/45/569538245.db2.gz HFKLHPVIILKQMH-UHFFFAOYSA-N 0 0 444.561 2.639 50 0 IFAARN CCOc1ccc(CCNC(=O)COC(=O)[C@H]2COc3ccccc3O2)cc1OCC ZINC000009467058 569538347 /nfs/dbraw/zinc/53/83/47/569538347.db2.gz LBBYXVAYNCJNLW-OAQYLSRUSA-N 0 0 429.469 2.526 50 0 IFAARN O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)NC1CCCC1 ZINC000009473491 569539025 /nfs/dbraw/zinc/53/90/25/569539025.db2.gz XKYOEIICLZQVBU-UHFFFAOYSA-N 0 0 427.482 2.917 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1cccc(Cl)c1 ZINC000009485607 569539597 /nfs/dbraw/zinc/53/95/97/569539597.db2.gz LIYZPTHLALPOCS-INIZCTEOSA-N 0 0 429.860 2.586 50 0 IFAARN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@]12c1cc(Cl)ccc1NC2=O ZINC000009487012 569539644 /nfs/dbraw/zinc/53/96/44/569539644.db2.gz UZFLCNCFVZZYLV-JOCHJYFZSA-N 0 0 438.823 2.810 50 0 IFAARN O=C(CSCc1cc(=O)n2c(n1)sc1c2CCCC1)NCc1ccc2c(c1)OCO2 ZINC000009487023 569539645 /nfs/dbraw/zinc/53/96/45/569539645.db2.gz WQSVIXZBAFNSEC-UHFFFAOYSA-N 0 0 443.550 2.913 50 0 IFAARN CCCCn1c2nc(CSc3nncn3-c3ccccc3)n(CCC)c2c(=O)[nH]c1=O ZINC000009491343 569540330 /nfs/dbraw/zinc/54/03/30/569540330.db2.gz PIYFPRKZODTFGG-UHFFFAOYSA-N 0 0 439.545 2.969 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000009493199 569540696 /nfs/dbraw/zinc/54/06/96/569540696.db2.gz MOBCSWSSPSSAIW-UHFFFAOYSA-N 0 0 448.925 2.609 50 0 IFAARN Cc1cc(C)n2nc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCCC4)c3)nc2n1 ZINC000009493142 569540713 /nfs/dbraw/zinc/54/07/13/569540713.db2.gz RCCJTKXJNVVFIH-UHFFFAOYSA-N 0 0 428.518 2.558 50 0 IFAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000009495191 569540997 /nfs/dbraw/zinc/54/09/97/569540997.db2.gz NHKKPDNSCAAPKX-OSPHWJPCSA-N 0 0 437.496 2.696 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(=O)[nH]c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000009499165 569541417 /nfs/dbraw/zinc/54/14/17/569541417.db2.gz UKQDECMYRCCWEW-OAHLLOKOSA-N 0 0 446.463 2.510 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000009499239 569541458 /nfs/dbraw/zinc/54/14/58/569541458.db2.gz VLYWEHNYYXRTLJ-INIZCTEOSA-N 0 0 436.512 2.807 50 0 IFAARN O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000009501065 569541621 /nfs/dbraw/zinc/54/16/21/569541621.db2.gz RNNOXGJXCOFXCR-UHFFFAOYSA-N 0 0 436.512 2.574 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NC1CCCCCC1 ZINC000009502076 569541684 /nfs/dbraw/zinc/54/16/84/569541684.db2.gz ILGNRUAZFJYOQQ-MRXNPFEDSA-N 0 0 449.573 2.997 50 0 IFAARN CCN(CC(=O)NCc1cccs1)C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000009503108 569541733 /nfs/dbraw/zinc/54/17/33/569541733.db2.gz JZAUTYTZNPEBFR-AWEZNQCLSA-N 0 0 449.960 2.928 50 0 IFAARN CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(C(C)=O)c1 ZINC000009508553 569542357 /nfs/dbraw/zinc/54/23/57/569542357.db2.gz WJWFUEZSWSKKDC-KRWDZBQOSA-N 0 0 431.539 2.688 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccccc1 ZINC000009509373 569542522 /nfs/dbraw/zinc/54/25/22/569542522.db2.gz JNYIXFSLXZFSML-UHFFFAOYSA-N 0 0 444.431 2.901 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009509499 569542579 /nfs/dbraw/zinc/54/25/79/569542579.db2.gz TXVAOAYRVPZBLL-LPHOPBHVSA-N 0 0 436.574 2.944 50 0 IFAARN C[C@@H](NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009509716 569542624 /nfs/dbraw/zinc/54/26/24/569542624.db2.gz GXTMJZXSPXTDGQ-SNVBAGLBSA-N 0 0 430.408 2.502 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc(F)cc(F)c2)c1 ZINC000009511032 569542891 /nfs/dbraw/zinc/54/28/91/569542891.db2.gz NDNJILXDEHPYBP-UHFFFAOYSA-N 0 0 432.832 2.664 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O ZINC000009516156 569543435 /nfs/dbraw/zinc/54/34/35/569543435.db2.gz VLCVSBBZNWKCNK-DEOSSOPVSA-N 0 0 445.479 2.657 50 0 IFAARN CNc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1 ZINC000009516791 569543539 /nfs/dbraw/zinc/54/35/39/569543539.db2.gz NUVXSBJXGLEUJD-UHFFFAOYSA-N 0 0 441.604 2.875 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)o2)c1 ZINC000009518561 569544136 /nfs/dbraw/zinc/54/41/36/569544136.db2.gz VSEUJEQGGVEPHG-UHFFFAOYSA-N 0 0 425.470 2.689 50 0 IFAARN Cc1cccc(CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)c1 ZINC000009518682 569544137 /nfs/dbraw/zinc/54/41/37/569544137.db2.gz MMSDTBZFNFTHJI-UHFFFAOYSA-N 0 0 446.554 2.851 50 0 IFAARN O=C(Cn1cc(C(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21)N1CCCC1 ZINC000009518870 569544175 /nfs/dbraw/zinc/54/41/75/569544175.db2.gz DUWQWUKKESSJKO-UHFFFAOYSA-N 0 0 433.464 2.856 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2c(F)cccc2Cl)c1=O)CCN3c1ccccc1 ZINC000009518814 569544198 /nfs/dbraw/zinc/54/41/98/569544198.db2.gz XANJQZININVJFO-UHFFFAOYSA-N 0 0 425.851 2.889 50 0 IFAARN Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4Cc3ccccc3)n(C)c2=O)cc1 ZINC000009519110 569544238 /nfs/dbraw/zinc/54/42/38/569544238.db2.gz QMFOPQUPOCLZPB-SFHVURJKSA-N 0 0 429.524 2.910 50 0 IFAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1cccc(F)c1 ZINC000009519627 569544306 /nfs/dbraw/zinc/54/43/06/569544306.db2.gz LUSREBPUXDOXRJ-UHFFFAOYSA-N 0 0 443.500 2.815 50 0 IFAARN O=C(CN1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2)Nc1ccc(F)cc1F ZINC000009526831 569544552 /nfs/dbraw/zinc/54/45/52/569544552.db2.gz SDZVLVDINCDVLX-UHFFFAOYSA-N 0 0 432.858 2.968 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000009530584 569545022 /nfs/dbraw/zinc/54/50/22/569545022.db2.gz PMGPFKCUPNMGCZ-HNNXBMFYSA-N 0 0 444.538 2.933 50 0 IFAARN CSCC[C@H](C(=O)OCC(=O)Nc1ccccc1F)N1C(=O)c2ccccc2C1=O ZINC000009540255 569545806 /nfs/dbraw/zinc/54/58/06/569545806.db2.gz BAQBUTXJECVVOZ-QGZVFWFLSA-N 0 0 430.457 2.725 50 0 IFAARN CCOC(=O)c1ccc2c(c1)nc(SCC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1)n2CC ZINC000009546063 569546187 /nfs/dbraw/zinc/54/61/87/569546187.db2.gz ZRVBODTUPYULHU-GFCCVEGCSA-N 0 0 446.529 2.844 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2cccs2)cc1 ZINC000009559455 569546964 /nfs/dbraw/zinc/54/69/64/569546964.db2.gz RMZBJKLFZUQOAG-AWEZNQCLSA-N 0 0 428.557 2.573 50 0 IFAARN CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc(C)c(Cl)c1)c(=O)n2C ZINC000009571811 569547697 /nfs/dbraw/zinc/54/76/97/569547697.db2.gz FDCFMKNXMCUWKF-UHFFFAOYSA-N 0 0 430.892 2.657 50 0 IFAARN CCOC(=O)[C@@H](CC)Sc1ccc2nnc(CCNC(=O)c3ccc(F)cc3)n2n1 ZINC000009578744 569548408 /nfs/dbraw/zinc/54/84/08/569548408.db2.gz NLOBSHSWZHAWKV-OAHLLOKOSA-N 0 0 431.493 2.670 50 0 IFAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000009578935 569548418 /nfs/dbraw/zinc/54/84/18/569548418.db2.gz HXKMCXSJEGHJCN-UHFFFAOYSA-N 0 0 430.526 2.621 50 0 IFAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009579019 569548420 /nfs/dbraw/zinc/54/84/20/569548420.db2.gz UATQOIKFBBCYNK-IBGZPJMESA-N 0 0 444.553 2.702 50 0 IFAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009579018 569548442 /nfs/dbraw/zinc/54/84/42/569548442.db2.gz UATQOIKFBBCYNK-LJQANCHMSA-N 0 0 444.553 2.702 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000009584537 569549412 /nfs/dbraw/zinc/54/94/12/569549412.db2.gz QXZKVLDJZVYRCZ-UHFFFAOYSA-N 0 0 435.509 2.568 50 0 IFAARN Cc1noc(CNC(=O)C2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)n1 ZINC000070655634 569550077 /nfs/dbraw/zinc/55/00/77/569550077.db2.gz MEDBAAWMHUGGIJ-UHFFFAOYSA-N 0 0 447.344 2.710 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)NCCn3cnc(-c4ccccc4)cc3=O)CC2=O)cc1C ZINC000070655818 569550080 /nfs/dbraw/zinc/55/00/80/569550080.db2.gz ONYDLXMIUPITCH-FQEVSTJZSA-N 0 0 430.508 2.696 50 0 IFAARN CCOC(=O)C1=C(COC(=O)Cc2c(C)noc2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000009591585 569550261 /nfs/dbraw/zinc/55/02/61/569550261.db2.gz RBXSHLRGPOUWOX-LJQANCHMSA-N 0 0 447.875 2.902 50 0 IFAARN COc1ccc(OCCOC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)cc1 ZINC000009592012 569550301 /nfs/dbraw/zinc/55/03/01/569550301.db2.gz NDJGLFOZBFUCBT-XMMPIXPASA-N 0 0 436.464 2.759 50 0 IFAARN COc1cccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(=O)OC(C)C)cc3)C2=O)c1 ZINC000009592004 569550315 /nfs/dbraw/zinc/55/03/15/569550315.db2.gz QWCQMVYRSFYKEI-HSZRJFAPSA-N 0 0 439.468 2.666 50 0 IFAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CCCCC2 ZINC000009599755 569551347 /nfs/dbraw/zinc/55/13/47/569551347.db2.gz MFBLTNBLYDJYJL-UHFFFAOYSA-N 0 0 435.571 2.879 50 0 IFAARN COc1cc(NC(=O)c2nnn(Cc3cccc(Br)c3)c2N)cc(OC)c1 ZINC000009608600 569552213 /nfs/dbraw/zinc/55/22/13/569552213.db2.gz SSSKHLKRZCNTMH-UHFFFAOYSA-N 0 0 432.278 2.941 50 0 IFAARN CN(C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000009612465 569552854 /nfs/dbraw/zinc/55/28/54/569552854.db2.gz NLCYPUZVHJSPCE-CQSZACIVSA-N 0 0 444.534 2.766 50 0 IFAARN C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009612660 569552888 /nfs/dbraw/zinc/55/28/88/569552888.db2.gz FXKXLYSZRXIDKM-OAHLLOKOSA-N 0 0 430.578 2.996 50 0 IFAARN CCCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000009613978 569553098 /nfs/dbraw/zinc/55/30/98/569553098.db2.gz OVTOOPWAKRWZOG-SJLPKXTDSA-N 0 0 426.966 2.618 50 0 IFAARN CCN(Cc1cc(Cl)cc2c1OCOC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009614188 569553156 /nfs/dbraw/zinc/55/31/56/569553156.db2.gz QEEKBBIFUSQAAU-UHFFFAOYSA-N 0 0 442.903 2.714 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccco2)c1=O ZINC000009616469 569553311 /nfs/dbraw/zinc/55/33/11/569553311.db2.gz GUGGKGJQDMHGHT-UHFFFAOYSA-N 0 0 447.447 2.620 50 0 IFAARN COc1ccc(C(=O)Nc2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 ZINC000009627981 569553577 /nfs/dbraw/zinc/55/35/77/569553577.db2.gz JFGZVUGPENBABM-UHFFFAOYSA-N 0 0 425.466 2.992 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCc3ccccc3)cc2)C1 ZINC000009631328 569553778 /nfs/dbraw/zinc/55/37/78/569553778.db2.gz KHRLHJCZIPRTPL-QZTJIDSGSA-N 0 0 444.553 2.826 50 0 IFAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009632131 569553925 /nfs/dbraw/zinc/55/39/25/569553925.db2.gz DGFWNQTURIHIDN-HNNXBMFYSA-N 0 0 445.566 2.820 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NCC(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000009632518 569554036 /nfs/dbraw/zinc/55/40/36/569554036.db2.gz GFXGKEROYYTTSX-UHFFFAOYSA-N 0 0 433.530 2.979 50 0 IFAARN Cc1nc2ccccc2c(SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000009633592 569554256 /nfs/dbraw/zinc/55/42/56/569554256.db2.gz PIKBTCTUEVZTBQ-UHFFFAOYSA-N 0 0 443.550 2.934 50 0 IFAARN O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)NCCN1C(=O)CSC1=O ZINC000009633720 569554304 /nfs/dbraw/zinc/55/43/04/569554304.db2.gz OCVDTZRSWUWGOW-UHFFFAOYSA-N 0 0 444.560 2.706 50 0 IFAARN O=C1c2ccccc2S(=O)(=O)N1CCSc1ncnc2c1cnn2-c1ccccc1 ZINC000009634153 569554420 /nfs/dbraw/zinc/55/44/20/569554420.db2.gz FJZHUXXOCYYMRO-UHFFFAOYSA-N 0 0 437.506 2.752 50 0 IFAARN Cc1cc(C)nc(SCC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)n1 ZINC000009634457 569554435 /nfs/dbraw/zinc/55/44/35/569554435.db2.gz AOULGDBJHQUGIP-UHFFFAOYSA-N 0 0 435.303 2.699 50 0 IFAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000009634625 569554495 /nfs/dbraw/zinc/55/44/95/569554495.db2.gz QFJNVQYOYGQBDX-UHFFFAOYSA-N 0 0 443.481 2.503 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)C2=NNC(=O)CC2)c1 ZINC000009639242 569555127 /nfs/dbraw/zinc/55/51/27/569555127.db2.gz YUWRSUNWVVTCDG-UHFFFAOYSA-N 0 0 444.513 2.714 50 0 IFAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n32)cc1 ZINC000009640927 569555524 /nfs/dbraw/zinc/55/55/24/569555524.db2.gz OKRAECWNAKXSMH-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)NCCC1=CCCCC1 ZINC000009646016 569556191 /nfs/dbraw/zinc/55/61/91/569556191.db2.gz VAIYQQPEAPLRQK-MRXNPFEDSA-N 0 0 439.603 2.590 50 0 IFAARN COCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000009646186 569556274 /nfs/dbraw/zinc/55/62/74/569556274.db2.gz LFQKVWLXIUOVJC-UHFFFAOYSA-N 0 0 428.554 2.859 50 0 IFAARN Nc1nc(COC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)nc2ccccc12 ZINC000009658867 569556598 /nfs/dbraw/zinc/55/65/98/569556598.db2.gz FRFFBADIACDLAE-UHFFFAOYSA-N 0 0 438.465 2.641 50 0 IFAARN CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)n1 ZINC000009660350 569556778 /nfs/dbraw/zinc/55/67/78/569556778.db2.gz SZEJMMOJVLNEBG-BQYQJAHWSA-N 0 0 439.472 2.504 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000009665319 569557510 /nfs/dbraw/zinc/55/75/10/569557510.db2.gz MHNVKMIZAGVSKE-MRXNPFEDSA-N 0 0 430.526 2.852 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000009670051 569558201 /nfs/dbraw/zinc/55/82/01/569558201.db2.gz MWPJFYBNWMIHGM-JTQLQIEISA-N 0 0 439.950 2.871 50 0 IFAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(Br)s1 ZINC000009670597 569558326 /nfs/dbraw/zinc/55/83/26/569558326.db2.gz METGFWVVVCWEDW-SECBINFHSA-N 0 0 439.378 2.540 50 0 IFAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000009671547 569558548 /nfs/dbraw/zinc/55/85/48/569558548.db2.gz MVZWDPNAMUZCKH-QFIPXVFZSA-N 0 0 449.532 2.848 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccnn1C1CCCC1 ZINC000009672185 569558733 /nfs/dbraw/zinc/55/87/33/569558733.db2.gz DJSCLMUYAALBJQ-UHFFFAOYSA-N 0 0 448.574 2.746 50 0 IFAARN COc1ccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1S(=O)(=O)N(C)C ZINC000009672277 569558822 /nfs/dbraw/zinc/55/88/22/569558822.db2.gz FKWONXGRNOYIAE-IBGZPJMESA-N 0 0 430.530 2.949 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)c(OC)c1 ZINC000009673939 569559013 /nfs/dbraw/zinc/55/90/13/569559013.db2.gz WGDCKBAREQJQTD-UHFFFAOYSA-N 0 0 446.460 2.887 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000009676675 569559515 /nfs/dbraw/zinc/55/95/15/569559515.db2.gz PQTYEUVLDAFXNP-UHFFFAOYSA-N 0 0 427.526 2.689 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCc3ccc(C)cc3)ccc21 ZINC000009677284 569559548 /nfs/dbraw/zinc/55/95/48/569559548.db2.gz BJLNEGSMZRKXRJ-UHFFFAOYSA-N 0 0 428.554 2.817 50 0 IFAARN Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(Br)cc3)c2N)c1 ZINC000009678083 569559592 /nfs/dbraw/zinc/55/95/92/569559592.db2.gz GKMOFLXLYLWKMG-UHFFFAOYSA-N 0 0 429.278 2.822 50 0 IFAARN Cc1sc2nc([C@@H](C)OC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)[nH]c(=O)c2c1C ZINC000009683917 569560484 /nfs/dbraw/zinc/56/04/84/569560484.db2.gz ZORBUBSEFYACKL-GFCCVEGCSA-N 0 0 446.529 2.850 50 0 IFAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000009686141 569560693 /nfs/dbraw/zinc/56/06/93/569560693.db2.gz RIEFLMCKEAXKEO-UHFFFAOYSA-N 0 0 448.527 2.857 50 0 IFAARN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OCC)C3)s2)on1 ZINC000009688948 569560918 /nfs/dbraw/zinc/56/09/18/569560918.db2.gz XJIZXOUTLIYKNG-GFCCVEGCSA-N 0 0 442.515 2.544 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N3CCCCC3)ccc21 ZINC000009692233 569561063 /nfs/dbraw/zinc/56/10/63/569561063.db2.gz HKFQYQWGYNZXBP-LJQANCHMSA-N 0 0 435.590 2.691 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N3CCCCC3)ccc21 ZINC000009692232 569561065 /nfs/dbraw/zinc/56/10/65/569561065.db2.gz HKFQYQWGYNZXBP-IBGZPJMESA-N 0 0 435.590 2.691 50 0 IFAARN CCCCn1c(N)c(N(C)C(=O)c2cc(-c3ccncc3)nc3ccccc32)c(=O)[nH]c1=O ZINC000009697682 569561181 /nfs/dbraw/zinc/56/11/81/569561181.db2.gz LHQBDVDBWKDETN-UHFFFAOYSA-N 0 0 444.495 2.806 50 0 IFAARN CCOC(=O)c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000009703752 569561345 /nfs/dbraw/zinc/56/13/45/569561345.db2.gz KBJDOBNVQZDNKD-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 ZINC000009709493 569561991 /nfs/dbraw/zinc/56/19/91/569561991.db2.gz GQMDQJMXUMPUOA-UHFFFAOYSA-N 0 0 440.529 2.956 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)CN1CCC(C(=O)Nc3ccccc3)CC1)CCC2 ZINC000009711922 569562069 /nfs/dbraw/zinc/56/20/69/569562069.db2.gz KCCAZNJFSXSGLO-UHFFFAOYSA-N 0 0 426.542 2.625 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CSc1nnnn1C1CC1 ZINC000009712036 569562107 /nfs/dbraw/zinc/56/21/07/569562107.db2.gz VVSCZGVJDDYTOU-UHFFFAOYSA-N 0 0 447.590 2.845 50 0 IFAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NC[C@@H]1COc2ccccc2O1 ZINC000009712816 569562349 /nfs/dbraw/zinc/56/23/49/569562349.db2.gz YZCISMHUDZFTFD-CYBMUJFWSA-N 0 0 427.438 2.514 50 0 IFAARN CCOCCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccc(F)cc2)n(C)c1=O ZINC000009713359 569562592 /nfs/dbraw/zinc/56/25/92/569562592.db2.gz WEZXSEZPULVWNZ-UHFFFAOYSA-N 0 0 447.470 2.981 50 0 IFAARN CC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000009721636 569563393 /nfs/dbraw/zinc/56/33/93/569563393.db2.gz CKWXVZCDJNJCMQ-UHFFFAOYSA-N 0 0 440.521 2.991 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NC1CCC(C)CC1)cn2C ZINC000009724250 569563676 /nfs/dbraw/zinc/56/36/76/569563676.db2.gz KKQLBLSRIAAWGM-UHFFFAOYSA-N 0 0 433.574 2.878 50 0 IFAARN CC1CCC(NC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)CC1 ZINC000009724415 569563711 /nfs/dbraw/zinc/56/37/11/569563711.db2.gz KPZKHZOIAXUHIJ-UHFFFAOYSA-N 0 0 431.558 2.632 50 0 IFAARN O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000009726777 569563914 /nfs/dbraw/zinc/56/39/14/569563914.db2.gz GKZBBVARHXQNQD-GOSISDBHSA-N 0 0 449.598 2.620 50 0 IFAARN CC(=O)c1ccc(NC(=O)CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)cc1 ZINC000009726544 569563937 /nfs/dbraw/zinc/56/39/37/569563937.db2.gz FLYAIQAIIMKFIF-UHFFFAOYSA-N 0 0 435.933 2.934 50 0 IFAARN CC(=O)c1cccc(NC(=O)CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)c1 ZINC000009726535 569563939 /nfs/dbraw/zinc/56/39/39/569563939.db2.gz ZUICOKFBIPJTKQ-UHFFFAOYSA-N 0 0 435.933 2.934 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)nc(C)n3n2)cc1 ZINC000009727809 569564063 /nfs/dbraw/zinc/56/40/63/569564063.db2.gz NGTMFLABTOXTAP-UHFFFAOYSA-N 0 0 437.887 2.845 50 0 IFAARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000009728106 569564098 /nfs/dbraw/zinc/56/40/98/569564098.db2.gz RFJCGFFPKYXFGE-UHFFFAOYSA-N 0 0 436.917 2.524 50 0 IFAARN CCOc1ccc(CNC(=O)Cn2nc(C)n3nc(-c4ccc(OC)cc4)cc3c2=O)cc1 ZINC000009728012 569564122 /nfs/dbraw/zinc/56/41/22/569564122.db2.gz CNWYFXFDWWGGCA-UHFFFAOYSA-N 0 0 447.495 2.590 50 0 IFAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009729803 569564270 /nfs/dbraw/zinc/56/42/70/569564270.db2.gz RQVMGVWUYLKXSI-QUCCMNQESA-N 0 0 425.916 2.631 50 0 IFAARN COc1ccc2c(c1)nc(SCC(=O)N[C@@H]1CCS(=O)(=O)C1)cc2-c1cccnc1 ZINC000009731177 569564552 /nfs/dbraw/zinc/56/45/52/569564552.db2.gz HTUFDDHZWIRCTN-OAHLLOKOSA-N 0 0 443.550 2.701 50 0 IFAARN COc1ccc2c(c1)nc(SCC(=O)N[C@H]1CCS(=O)(=O)C1)cc2-c1cccnc1 ZINC000009731184 569564585 /nfs/dbraw/zinc/56/45/85/569564585.db2.gz HTUFDDHZWIRCTN-HNNXBMFYSA-N 0 0 443.550 2.701 50 0 IFAARN COc1ccc(-n2c3nc(-c4ccccc4Cl)nc(C(N)=O)c3[nH]c2=O)cc1OC ZINC000009739327 569565038 /nfs/dbraw/zinc/56/50/38/569565038.db2.gz CZGADQNSLGTZOF-UHFFFAOYSA-N 0 0 425.832 2.545 50 0 IFAARN O=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009740421 569565128 /nfs/dbraw/zinc/56/51/28/569565128.db2.gz LUOLZRYNBNUWDZ-FQEVSTJZSA-N 0 0 449.506 2.544 50 0 IFAARN O=S(=O)(NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009740429 569565167 /nfs/dbraw/zinc/56/51/67/569565167.db2.gz LUOLZRYNBNUWDZ-HXUWFJFHSA-N 0 0 449.506 2.544 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2cccs2)cc1 ZINC000009741201 569565205 /nfs/dbraw/zinc/56/52/05/569565205.db2.gz NNWJBMAVZHYBOV-MRXNPFEDSA-N 0 0 427.525 2.843 50 0 IFAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O ZINC000009741874 569565280 /nfs/dbraw/zinc/56/52/80/569565280.db2.gz FQHRCTLGOYJXGZ-HOYKHHGWSA-N 0 0 433.464 2.516 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NC1CCCCCC1 ZINC000009741842 569565298 /nfs/dbraw/zinc/56/52/98/569565298.db2.gz VUXMXANOEIEUJH-QFIPXVFZSA-N 0 0 447.601 2.978 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NC1CCCCCC1 ZINC000009741837 569565318 /nfs/dbraw/zinc/56/53/18/569565318.db2.gz VUXMXANOEIEUJH-JOCHJYFZSA-N 0 0 447.601 2.978 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c(C)c1 ZINC000009743610 569565460 /nfs/dbraw/zinc/56/54/60/569565460.db2.gz PURRXTKPBWFYKF-LJQANCHMSA-N 0 0 443.569 2.992 50 0 IFAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC1CCCCCC1 ZINC000009746916 569565777 /nfs/dbraw/zinc/56/57/77/569565777.db2.gz KUVXQFFYPNKICU-QGZVFWFLSA-N 0 0 441.619 2.637 50 0 IFAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009751815 569566100 /nfs/dbraw/zinc/56/61/00/569566100.db2.gz UDNYOFOAFSQIMT-UHFFFAOYSA-N 0 0 433.468 2.769 50 0 IFAARN COc1ccc(NC(=O)CSc2nccn(-c3ccccc3OC)c2=O)c(OC)c1 ZINC000009761463 569566279 /nfs/dbraw/zinc/56/62/79/569566279.db2.gz VZIMHFVIQPZZCX-UHFFFAOYSA-N 0 0 427.482 2.989 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000009761851 569566296 /nfs/dbraw/zinc/56/62/96/569566296.db2.gz KGCINCSNCOKNNH-UHFFFAOYSA-N 0 0 449.463 2.938 50 0 IFAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009762632 569566546 /nfs/dbraw/zinc/56/65/46/569566546.db2.gz SLKXRMFOZVUCQU-QGZVFWFLSA-N 0 0 427.501 2.766 50 0 IFAARN O=C(Cc1ccccc1Cl)Nc1ccc(-n2nnc(C(=O)NCC(F)(F)F)n2)cc1 ZINC000071005023 569566589 /nfs/dbraw/zinc/56/65/89/569566589.db2.gz IZJMMVOGRKGPHM-UHFFFAOYSA-N 0 0 438.797 2.789 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(-n2nnc(C(=O)NC3CCCC3)n2)cc1 ZINC000071003001 569566612 /nfs/dbraw/zinc/56/66/12/569566612.db2.gz CKLHTMFUIHJNGF-WUXMJOGZSA-N 0 0 446.467 2.715 50 0 IFAARN O=C(NCc1cccnc1)[C@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O ZINC000009763621 569566649 /nfs/dbraw/zinc/56/66/49/569566649.db2.gz XCBFPAGTMLSLLK-SFHVURJKSA-N 0 0 426.270 2.746 50 0 IFAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009764310 569566698 /nfs/dbraw/zinc/56/66/98/569566698.db2.gz JYXREXTYYPOUDU-IFXJQAMLSA-N 0 0 425.462 2.534 50 0 IFAARN O=C(NC1CC1)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000009765401 569566810 /nfs/dbraw/zinc/56/68/10/569566810.db2.gz GEDTYDOZSQMPLS-UHFFFAOYSA-N 0 0 433.555 2.680 50 0 IFAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000009767318 569566912 /nfs/dbraw/zinc/56/69/12/569566912.db2.gz OCJRVYMVGBSYQI-UHFFFAOYSA-N 0 0 446.463 2.816 50 0 IFAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009779650 569567447 /nfs/dbraw/zinc/56/74/47/569567447.db2.gz PNRZNLXCLOPTPZ-UHFFFAOYSA-N 0 0 431.905 2.958 50 0 IFAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)NCc1ccc2c(c1)OCO2 ZINC000009780774 569567476 /nfs/dbraw/zinc/56/74/76/569567476.db2.gz DHAOABSFHOATNO-KRWDZBQOSA-N 0 0 427.438 2.719 50 0 IFAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000009781741 569567596 /nfs/dbraw/zinc/56/75/96/569567596.db2.gz QRYVEDKTMXKLTG-HXUWFJFHSA-N 0 0 432.480 2.628 50 0 IFAARN Cc1ccc(Cn2nccc2NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009782792 569567717 /nfs/dbraw/zinc/56/77/17/569567717.db2.gz LEVLQQFOULQGDX-UHFFFAOYSA-N 0 0 440.525 2.513 50 0 IFAARN O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000009783041 569567787 /nfs/dbraw/zinc/56/77/87/569567787.db2.gz AUBARWQGORWZAW-UHFFFAOYSA-N 0 0 443.554 2.897 50 0 IFAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1=O ZINC000009783220 569567791 /nfs/dbraw/zinc/56/77/91/569567791.db2.gz KEXHFAZYDLLCFR-GYCJOSAFSA-N 0 0 437.496 2.882 50 0 IFAARN CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000009791395 569568206 /nfs/dbraw/zinc/56/82/06/569568206.db2.gz HBRDXVCHXGNFBI-JLTOFOAXSA-N 0 0 433.530 2.863 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)cc1C ZINC000009792163 569568263 /nfs/dbraw/zinc/56/82/63/569568263.db2.gz JYVIZQYHVXXKPW-UHFFFAOYSA-N 0 0 427.320 2.806 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2Cl)c1 ZINC000009807430 569568984 /nfs/dbraw/zinc/56/89/84/569568984.db2.gz GLWYIZCMOTWYNV-INIZCTEOSA-N 0 0 449.960 2.865 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000009807450 569569000 /nfs/dbraw/zinc/56/90/00/569569000.db2.gz BLTVGYJRCPLHQK-FQEVSTJZSA-N 0 0 443.569 2.828 50 0 IFAARN CC(C)NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000009827449 569569693 /nfs/dbraw/zinc/56/96/93/569569693.db2.gz PIXKORWPMJNMRU-UHFFFAOYSA-N 0 0 430.452 2.650 50 0 IFAARN O=C(Oc1coc(CSc2ncccn2)cc1=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009829328 569570017 /nfs/dbraw/zinc/57/00/17/569570017.db2.gz BFLSGGQDOHYACM-CYBMUJFWSA-N 0 0 441.440 2.820 50 0 IFAARN Cc1cn2c3c(nc2n1CCc1ccccc1)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000009829445 569570053 /nfs/dbraw/zinc/57/00/53/569570053.db2.gz JYPLGSAUUNOYOP-UHFFFAOYSA-N 0 0 431.471 2.888 50 0 IFAARN COc1ccccc1-n1c(C)c(C)n2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C ZINC000009829469 569570071 /nfs/dbraw/zinc/57/00/71/569570071.db2.gz PVOXKRHVNUPOQA-UHFFFAOYSA-N 0 0 447.470 2.951 50 0 IFAARN CCCn1c(C)cn2c3c(nc21)n(C)c(=O)n(Cc1ccc(Br)cc1)c3=O ZINC000009829528 569570121 /nfs/dbraw/zinc/57/01/21/569570121.db2.gz BFOVWJXHSNFRAI-UHFFFAOYSA-N 0 0 430.306 2.679 50 0 IFAARN CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)[C@H]1CCC(=O)N1 ZINC000009834933 569570612 /nfs/dbraw/zinc/57/06/12/569570612.db2.gz YMQYSCLTUDYIPI-TZIWHRDSSA-N 0 0 443.569 2.639 50 0 IFAARN CC(C)(C)c1cc(NC(=O)COC(=O)c2ccccc2-n2cnnn2)n(-c2ccccc2)n1 ZINC000009839215 569570827 /nfs/dbraw/zinc/57/08/27/569570827.db2.gz GQJACDTYLNYCJS-UHFFFAOYSA-N 0 0 445.483 2.941 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(F)ccc3F)n2)cc1 ZINC000009844769 569570945 /nfs/dbraw/zinc/57/09/45/569570945.db2.gz HSALIYBLXJMIKM-UHFFFAOYSA-N 0 0 435.452 2.566 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(C)cc3C)n2)cc1 ZINC000009844737 569570962 /nfs/dbraw/zinc/57/09/62/569570962.db2.gz ZZYWCRPKRMJMMQ-UHFFFAOYSA-N 0 0 427.526 2.904 50 0 IFAARN COc1ccccc1OC[C@H](O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000009851306 569571426 /nfs/dbraw/zinc/57/14/26/569571426.db2.gz ONVSBGUCGSWBEM-CQSZACIVSA-N 0 0 430.320 2.518 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c(C)c1 ZINC000009856401 569571620 /nfs/dbraw/zinc/57/16/20/569571620.db2.gz JRZGLAYGPXIWRV-UHFFFAOYSA-N 0 0 443.525 2.788 50 0 IFAARN COc1ccc(CNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1 ZINC000009860649 569571872 /nfs/dbraw/zinc/57/18/72/569571872.db2.gz WNHFMEKWPYEYQQ-MOPGFXCFSA-N 0 0 445.566 2.614 50 0 IFAARN COc1ccc(CNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1 ZINC000009860650 569571880 /nfs/dbraw/zinc/57/18/80/569571880.db2.gz WNHFMEKWPYEYQQ-OALUTQOASA-N 0 0 445.566 2.614 50 0 IFAARN Cc1cccc(CCNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)c1 ZINC000009860699 569571894 /nfs/dbraw/zinc/57/18/94/569571894.db2.gz DHGASWJTXWJWCY-WOJBJXKFSA-N 0 0 443.594 2.956 50 0 IFAARN O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009865569 569572138 /nfs/dbraw/zinc/57/21/38/569572138.db2.gz AORXCFTVLMHVAT-UHFFFAOYSA-N 0 0 440.529 2.544 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2ncnc3sccc32)C1=O ZINC000009865456 569572140 /nfs/dbraw/zinc/57/21/40/569572140.db2.gz MMMRLJRIRWJJRE-FQEVSTJZSA-N 0 0 441.538 2.758 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cccc(NC(C)=O)c2)NC(=O)N[C@@H]1c1ccccc1 ZINC000009865196 569572158 /nfs/dbraw/zinc/57/21/58/569572158.db2.gz XMXKDUMLYQOFIZ-HXUWFJFHSA-N 0 0 437.452 2.673 50 0 IFAARN O=C(NCCCn1ccc2ccccc21)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000009876093 569572639 /nfs/dbraw/zinc/57/26/39/569572639.db2.gz XAPRHEQEBSQFDG-FQEVSTJZSA-N 0 0 436.537 2.761 50 0 IFAARN CC(=O)Nc1nonc1-c1nnc(SCC(=O)NC2CCCCC2)n1-c1ccccc1 ZINC000009878485 569572752 /nfs/dbraw/zinc/57/27/52/569572752.db2.gz WDMABVPMGOWIRB-UHFFFAOYSA-N 0 0 441.517 2.817 50 0 IFAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000009899638 569573051 /nfs/dbraw/zinc/57/30/51/569573051.db2.gz ZDQUXBXJBQDLSF-UHFFFAOYSA-N 0 0 442.516 2.680 50 0 IFAARN COc1ccc(CCn2c(SCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000009914360 569573352 /nfs/dbraw/zinc/57/33/52/569573352.db2.gz DIUJCOKRUXZXTA-UHFFFAOYSA-N 0 0 436.537 2.977 50 0 IFAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)c(OC)c1 ZINC000071327034 569575081 /nfs/dbraw/zinc/57/50/81/569575081.db2.gz ALYOHBIPFUUWOI-UHFFFAOYSA-N 0 0 427.436 2.942 50 0 IFAARN COc1ccc(NC(=O)c2nnn(CC(=O)NCCc3ccc(Cl)cc3)c2C)cc1 ZINC000071327436 569575330 /nfs/dbraw/zinc/57/53/30/569575330.db2.gz JXINJQWPYJSIID-UHFFFAOYSA-N 0 0 427.892 2.860 50 0 IFAARN O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1cccc(F)c1 ZINC000071328419 569575542 /nfs/dbraw/zinc/57/55/42/569575542.db2.gz XPOFDRLCBSNNHA-UHFFFAOYSA-N 0 0 437.387 2.570 50 0 IFAARN C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000071328820 569575560 /nfs/dbraw/zinc/57/55/60/569575560.db2.gz WGEUIJIIUAJRKJ-CQSZACIVSA-N 0 0 432.322 2.703 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc2ncsc2c1 ZINC000009963001 569575704 /nfs/dbraw/zinc/57/57/04/569575704.db2.gz SUEYTBZADOMQMQ-UHFFFAOYSA-N 0 0 433.511 2.578 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 ZINC000071334753 569575761 /nfs/dbraw/zinc/57/57/61/569575761.db2.gz XFBVABZFYJPYLK-QGZVFWFLSA-N 0 0 434.468 2.966 50 0 IFAARN CCOc1ccccc1-n1c(S[C@H](C)C(=O)NC(=O)NC)nc2ccccc2c1=O ZINC000009966596 569575934 /nfs/dbraw/zinc/57/59/34/569575934.db2.gz SBJSRKXVIMXFQK-CYBMUJFWSA-N 0 0 426.498 2.721 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000009969303 569576045 /nfs/dbraw/zinc/57/60/45/569576045.db2.gz SMJFUVHXDSWWOR-GOSISDBHSA-N 0 0 436.436 2.610 50 0 IFAARN CCOC(=O)N1CCN(C(=O)COC(=O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000009980563 569576443 /nfs/dbraw/zinc/57/64/43/569576443.db2.gz HXJLMXOKQPACQF-UHFFFAOYSA-N 0 0 442.468 2.702 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000009985723 569576716 /nfs/dbraw/zinc/57/67/16/569576716.db2.gz ZAMDARDTLLPZIE-UHFFFAOYSA-N 0 0 437.521 2.978 50 0 IFAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCc1ncc(-c2ccccc2)o1 ZINC000010022002 569577198 /nfs/dbraw/zinc/57/71/98/569577198.db2.gz XUWKKJDXKLYDIY-UHFFFAOYSA-N 0 0 425.466 2.904 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 ZINC000010022928 569577277 /nfs/dbraw/zinc/57/72/77/569577277.db2.gz TWEPDOUGUAVDIC-NEPJUHHUSA-N 0 0 436.559 2.532 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)sc2c1 ZINC000010022291 569577284 /nfs/dbraw/zinc/57/72/84/569577284.db2.gz KJHVYHHHKLFQSV-UHFFFAOYSA-N 0 0 440.506 2.557 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000010095912 569577783 /nfs/dbraw/zinc/57/77/83/569577783.db2.gz CGJKSYOCXALEDD-OAHLLOKOSA-N 0 0 441.937 2.635 50 0 IFAARN Cc1c(C)n(-c2ccc(C)cc2C)c2nc3c(c(=O)n(CC(=O)C(C)(C)C)c(=O)n3C)n12 ZINC000010101576 569577811 /nfs/dbraw/zinc/57/78/11/569577811.db2.gz KGAUILBLWMITHW-UHFFFAOYSA-N 0 0 435.528 2.987 50 0 IFAARN CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)n1 ZINC000010131256 569578008 /nfs/dbraw/zinc/57/80/08/569578008.db2.gz POJGMSOKXNKHPQ-UHFFFAOYSA-N 0 0 449.510 2.986 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000010166430 569578213 /nfs/dbraw/zinc/57/82/13/569578213.db2.gz WWDDDFRFVOGNSG-SNVBAGLBSA-N 0 0 430.288 2.974 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)C1=O ZINC000010166579 569578250 /nfs/dbraw/zinc/57/82/50/569578250.db2.gz ZSYWYQRBTKMJAK-UHFFFAOYSA-N 0 0 431.489 2.508 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000010167146 569578306 /nfs/dbraw/zinc/57/83/06/569578306.db2.gz BTNDEMFNJCABMW-NSHDSACASA-N 0 0 429.395 2.686 50 0 IFAARN COc1ccccc1CNC(=O)CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2 ZINC000010186681 569578442 /nfs/dbraw/zinc/57/84/42/569578442.db2.gz PCOWFMJSOMGYSD-UHFFFAOYSA-N 0 0 436.537 2.592 50 0 IFAARN NC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010186927 569578553 /nfs/dbraw/zinc/57/85/53/569578553.db2.gz WAUXUHXZFXWFNX-UHFFFAOYSA-N 0 0 433.964 2.601 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)c1 ZINC000010187749 569578701 /nfs/dbraw/zinc/57/87/01/569578701.db2.gz GOWHNVPCQXHDIN-UHFFFAOYSA-N 0 0 438.411 2.861 50 0 IFAARN COc1cccc(-n2c3nc(-c4cccc(C(F)(F)F)c4)nc(C(N)=O)c3[nH]c2=O)c1 ZINC000010187996 569578747 /nfs/dbraw/zinc/57/87/47/569578747.db2.gz KZFBKXWJIBLMDQ-UHFFFAOYSA-N 0 0 429.358 2.902 50 0 IFAARN CCOC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000010213764 569579115 /nfs/dbraw/zinc/57/91/15/569579115.db2.gz RCGAPXKBAHNMQK-UHFFFAOYSA-N 0 0 431.392 2.884 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000010228408 569579260 /nfs/dbraw/zinc/57/92/60/569579260.db2.gz ZYYUSXBJXUSCHA-SFHVURJKSA-N 0 0 433.549 2.535 50 0 IFAARN Cc1cn2c3c(nc2n1-c1ccccc1O)n(C)c(=O)n(CCCc1ccccc1)c3=O ZINC000010233446 569579569 /nfs/dbraw/zinc/57/95/69/569579569.db2.gz WNYAARBQEVCBMU-UHFFFAOYSA-N 0 0 429.480 2.785 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(CC(=O)c2ccccc2)c(=O)n3C)n1[C@@H](C)c1ccccc1 ZINC000010233490 569579616 /nfs/dbraw/zinc/57/96/16/569579616.db2.gz ZLGFNCATQFKMLF-KRWDZBQOSA-N 0 0 441.491 2.950 50 0 IFAARN Cc1c(C)n(-c2ccccc2N)c2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n12 ZINC000010233676 569579624 /nfs/dbraw/zinc/57/96/24/569579624.db2.gz FXEAAHKZDCPVSG-UHFFFAOYSA-N 0 0 428.496 2.694 50 0 IFAARN CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)cc(C)c(N(C)S(C)(=O)=O)c2C)cc1 ZINC000010233950 569579713 /nfs/dbraw/zinc/57/97/13/569579713.db2.gz DNBRDCXNXHIVDT-UHFFFAOYSA-N 0 0 439.559 2.767 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2c(Cl)cccc2Cl)c1=O)CCN3Cc1ccco1 ZINC000010251968 569579884 /nfs/dbraw/zinc/57/98/84/569579884.db2.gz QSQZVSIOFBMVIT-UHFFFAOYSA-N 0 0 446.294 2.865 50 0 IFAARN CCOCCn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(C(F)(F)F)cc2)n(C)c1=O ZINC000010271861 569580090 /nfs/dbraw/zinc/58/00/90/569580090.db2.gz ZIVMRNDQELAOBZ-UHFFFAOYSA-N 0 0 435.406 2.502 50 0 IFAARN CCOCCCn1c(C)cn2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C ZINC000010271953 569580140 /nfs/dbraw/zinc/58/01/40/569580140.db2.gz VPZWFHLUDDJPSC-UHFFFAOYSA-N 0 0 429.908 2.586 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000010273355 569580238 /nfs/dbraw/zinc/58/02/38/569580238.db2.gz ANFXUVBVAXMVAL-SFHVURJKSA-N 0 0 434.901 2.903 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000010273614 569580296 /nfs/dbraw/zinc/58/02/96/569580296.db2.gz VGTBVNWFLYLDPB-GOSISDBHSA-N 0 0 434.901 2.903 50 0 IFAARN CS(=O)(=O)c1cccc2sc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc21 ZINC000010337270 569581196 /nfs/dbraw/zinc/58/11/96/569581196.db2.gz BUQJONAOMFUISO-UHFFFAOYSA-N 0 0 433.530 2.730 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)cc1 ZINC000010337283 569581212 /nfs/dbraw/zinc/58/12/12/569581212.db2.gz LGIDRXIDGBFZOZ-UHFFFAOYSA-N 0 0 431.539 2.671 50 0 IFAARN CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)c4c(F)cccc4F)CC3)sc2c1 ZINC000010337299 569581238 /nfs/dbraw/zinc/58/12/38/569581238.db2.gz BKXDQMAYXWUWLW-UHFFFAOYSA-N 0 0 437.493 2.940 50 0 IFAARN COc1ccc(C(=O)N(CCN(C)C)c2nc3c(cccc3S(C)(=O)=O)s2)cc1 ZINC000010337319 569581280 /nfs/dbraw/zinc/58/12/80/569581280.db2.gz OEIMHBZJEGPUOL-UHFFFAOYSA-N 0 0 433.555 2.917 50 0 IFAARN CCOC(=O)c1csc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 ZINC000010337584 569581309 /nfs/dbraw/zinc/58/13/09/569581309.db2.gz DTUSDXVHZNSEDF-UHFFFAOYSA-N 0 0 437.543 2.668 50 0 IFAARN C[C@@H]1Sc2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)cc2NC1=O ZINC000010374843 569581564 /nfs/dbraw/zinc/58/15/64/569581564.db2.gz GPSUTCOHIDRPAK-AWEZNQCLSA-N 0 0 445.566 2.702 50 0 IFAARN O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1cc2c(cc1Cl)OCCO2 ZINC000010378175 569581627 /nfs/dbraw/zinc/58/16/27/569581627.db2.gz PFMQDOOOFIWSSI-UHFFFAOYSA-N 0 0 446.916 2.970 50 0 IFAARN CCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010430616 569582021 /nfs/dbraw/zinc/58/20/21/569582021.db2.gz KDDUKLDHXPTALG-UHFFFAOYSA-N 0 0 449.555 2.930 50 0 IFAARN CCCCCn1c(=O)c2ccc(C(=O)N3CCOCC3)cc2nc1SCC(=O)OCC ZINC000010433592 569582109 /nfs/dbraw/zinc/58/21/09/569582109.db2.gz KMJPDIGRTWSIMA-UHFFFAOYSA-N 0 0 447.557 2.714 50 0 IFAARN C[C@H](NC(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccc2c(c1)OCCO2 ZINC000071835131 569582195 /nfs/dbraw/zinc/58/21/95/569582195.db2.gz TWIMERKDCUROMU-YSSFQJQWSA-N 0 0 447.491 2.909 50 0 IFAARN CCN(C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1OC)c1cccc2ccccc21 ZINC000010455364 569582367 /nfs/dbraw/zinc/58/23/67/569582367.db2.gz IPTPXRXTTXSVDF-UHFFFAOYSA-N 0 0 442.493 2.706 50 0 IFAARN CC(C)N(C)C(=O)c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 ZINC000071850218 569582422 /nfs/dbraw/zinc/58/24/22/569582422.db2.gz XMLXXADDVJQEDG-SFHVURJKSA-N 0 0 449.598 2.698 50 0 IFAARN O=C(Cn1cc(Br)ccc1=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000071874998 569582635 /nfs/dbraw/zinc/58/26/35/569582635.db2.gz YGVYRHCQDVSSTF-UHFFFAOYSA-N 0 0 426.698 2.740 50 0 IFAARN COC(=O)c1nc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)sc1CC(C)C ZINC000101414323 569583710 /nfs/dbraw/zinc/58/37/10/569583710.db2.gz CDNWLHZDUDAXAM-CQSZACIVSA-N 0 0 444.513 3.247 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)CCn3sc4ccccc4c3=O)sc2c1 ZINC000040286825 569584877 /nfs/dbraw/zinc/58/48/77/569584877.db2.gz WZLRDQQOUXLGOC-UHFFFAOYSA-N 0 0 433.536 3.105 50 0 IFAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1cc(-c2ccccc2)on1 ZINC000077154843 569585730 /nfs/dbraw/zinc/58/57/30/569585730.db2.gz FZGQNFWSNSLLOF-UHFFFAOYSA-N 0 0 430.511 2.901 50 0 IFAARN Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)CSc3nc4ccccc4s3)n2)n1 ZINC000077196921 569586173 /nfs/dbraw/zinc/58/61/73/569586173.db2.gz BJHVGGFSBJILHM-UHFFFAOYSA-N 0 0 440.554 2.564 50 0 IFAARN Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC[C@H](c3nnc(C(F)(F)F)o3)C1)CS2 ZINC000077197842 569586216 /nfs/dbraw/zinc/58/62/16/569586216.db2.gz IZLUYEQTABRATG-RYUDHWBXSA-N 0 0 443.451 2.705 50 0 IFAARN Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC[C@@H](c3nnc(C(F)(F)F)o3)C1)CS2 ZINC000077197843 569586220 /nfs/dbraw/zinc/58/62/20/569586220.db2.gz IZLUYEQTABRATG-VXGBXAGGSA-N 0 0 443.451 2.705 50 0 IFAARN Cc1nc(-n2cccc2)sc1C(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O ZINC000077197949 569586224 /nfs/dbraw/zinc/58/62/24/569586224.db2.gz HYLSQVRGPHWNMZ-UHFFFAOYSA-N 0 0 434.525 2.897 50 0 IFAARN COc1cccc(N2C[C@H](C(=O)N3CCC[C@H](c4nnc(C(F)(F)F)o4)C3)CC2=O)c1 ZINC000077197814 569586232 /nfs/dbraw/zinc/58/62/32/569586232.db2.gz RWYPBYFFMVGDKY-QWHCGFSZSA-N 0 0 438.406 2.856 50 0 IFAARN O=C(NCc1cc(Br)ccc1OC(F)F)c1ccc2c(c1)C(=O)NC2=O ZINC000078549605 569586715 /nfs/dbraw/zinc/58/67/15/569586715.db2.gz GJADWVKPKJBGAU-UHFFFAOYSA-N 0 0 425.185 2.864 50 0 IFAARN COc1ccc(OC)c([C@H](c2c([O-])[nH]c(=O)[nH]c2=O)[N@H+](Cc2ccccc2)C(C)C)c1 ZINC000020156013 569587035 /nfs/dbraw/zinc/58/70/35/569587035.db2.gz OOQDKWNVBBFPJS-HXUWFJFHSA-N 0 0 425.485 2.786 50 0 IFAARN CCOC(=O)CCC(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@H]1C ZINC000037356690 569587988 /nfs/dbraw/zinc/58/79/88/569587988.db2.gz RXOSXSTXFLTJIO-CQSZACIVSA-N 0 0 434.443 2.928 50 0 IFAARN CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@]2(C)[C@H](C(C)=O)CC[C@@]23O[C@]32CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@@H]12 ZINC000096023920 290687085 /nfs/dbraw/zinc/68/70/85/290687085.db2.gz MIGQPMYRGFABCC-BIWLUZBDSA-N 0 0 448.556 2.954 50 0 IFAARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1(C)C ZINC000012849460 121323296 /nfs/dbraw/zinc/32/32/96/121323296.db2.gz PAUWUTPQRXWWKD-RTBURBONSA-N 0 0 433.574 2.750 50 0 IFAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000001774455 291344030 /nfs/dbraw/zinc/34/40/30/291344030.db2.gz NLPNTCULNCBQAK-HXUWFJFHSA-N 0 0 434.448 2.862 50 0 biogenic,in-vitro IFAARN Cc1cccc(Cn2c(SCC(=O)c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000000637549 193866122 /nfs/dbraw/zinc/86/61/22/193866122.db2.gz IOTVGEKQTCYRSW-UHFFFAOYSA-N 0 0 434.521 2.765 50 0 IFAARN CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000006149683 193885619 /nfs/dbraw/zinc/88/56/19/193885619.db2.gz GCYSOMXMBBCDIE-UHFFFAOYSA-N 0 0 430.530 2.606 50 0 IFAARN CCOCCCn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C ZINC000006195373 193890662 /nfs/dbraw/zinc/89/06/62/193890662.db2.gz SNUIRDSEUBWUPH-UHFFFAOYSA-N 0 0 437.544 2.858 50 0 IFAARN Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(C)n1C1CC1 ZINC000009847233 193905332 /nfs/dbraw/zinc/90/53/32/193905332.db2.gz QEYFILCFQRBLET-UHFFFAOYSA-N 0 0 435.571 2.831 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 ZINC000009844680 193904028 /nfs/dbraw/zinc/90/40/28/193904028.db2.gz YABQYFTZMZGHGZ-UHFFFAOYSA-N 0 0 431.901 2.745 50 0 IFAARN CCC(=O)N1CCC2(CC1)OC[C@H](C(=O)NCc1ccccc1)N2C(=O)c1ccc(C)cc1 ZINC000096275084 193951196 /nfs/dbraw/zinc/95/11/96/193951196.db2.gz JIOCGRATQQEQBG-JOCHJYFZSA-N 0 0 449.551 2.881 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)CC1 ZINC000000879036 132232375 /nfs/dbraw/zinc/23/23/75/132232375.db2.gz JYWGNSDOMZWJQD-UHFFFAOYSA-N 0 0 445.585 2.933 50 0 IFAARN Cc1ccc(-n2nnc3c2ncn(CC(=O)N2CCCc4ccccc42)c3=O)cc1Cl ZINC000009517831 132232565 /nfs/dbraw/zinc/23/25/65/132232565.db2.gz PLFKSRDWTJRONL-UHFFFAOYSA-N 0 0 434.887 2.918 50 0 IFAARN COc1ccccc1N1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000009519977 132233355 /nfs/dbraw/zinc/23/33/55/132233355.db2.gz NNGGPYCOFUUHCV-KRWDZBQOSA-N 0 0 428.920 2.986 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000009570221 132235854 /nfs/dbraw/zinc/23/58/54/132235854.db2.gz NSCLHRMJDHLQDY-UHFFFAOYSA-N 0 0 441.475 2.587 50 0 IFAARN COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000009573785 132236203 /nfs/dbraw/zinc/23/62/03/132236203.db2.gz HTYARDSSXKZEOZ-UHFFFAOYSA-N 0 0 442.878 2.996 50 0 IFAARN O=C(C1CCC(Cn2nnc3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1 ZINC000009579962 132236292 /nfs/dbraw/zinc/23/62/92/132236292.db2.gz PMKWEFMDZGGEHB-UHFFFAOYSA-N 0 0 431.540 2.947 50 0 IFAARN O=C(NCc1ccco1)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 ZINC000009739693 132240424 /nfs/dbraw/zinc/24/04/24/132240424.db2.gz RGOROVJSJBMSBV-UHFFFAOYSA-N 0 0 445.522 2.738 50 0 IFAARN CC(C)CCNC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 ZINC000009739434 132240458 /nfs/dbraw/zinc/24/04/58/132240458.db2.gz IQCWTCSYHMKCLF-UHFFFAOYSA-N 0 0 435.571 2.990 50 0 IFAARN COc1cccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(Cl)cc3)CC2)c1 ZINC000009849573 132241840 /nfs/dbraw/zinc/24/18/40/132241840.db2.gz HZJBHZMJQLCNSF-UHFFFAOYSA-N 0 0 449.902 2.835 50 0 IFAARN COc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000009850069 132241892 /nfs/dbraw/zinc/24/18/92/132241892.db2.gz VSGMABOWYSPAPJ-UHFFFAOYSA-N 0 0 435.532 2.838 50 0 IFAARN COc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000009850340 132242079 /nfs/dbraw/zinc/24/20/79/132242079.db2.gz RTXQPKQDRWCQLQ-UHFFFAOYSA-N 0 0 443.511 2.501 50 0 IFAARN COc1cccc(-n2nnc3c2ncnc3N2CCN(C(=O)OCc3ccccc3)CC2)c1 ZINC000009851228 132242115 /nfs/dbraw/zinc/24/21/15/132242115.db2.gz GPCFNTWTCYFCRM-UHFFFAOYSA-N 0 0 445.483 2.678 50 0 IFAARN O=C(CCc1ccccc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000009851814 132242428 /nfs/dbraw/zinc/24/24/28/132242428.db2.gz YNEHKLRVUNSQEI-UHFFFAOYSA-N 0 0 427.512 2.551 50 0 IFAARN O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCN(c2ccccn2)CC1 ZINC000009883541 132242498 /nfs/dbraw/zinc/24/24/98/132242498.db2.gz UFNMGBIHZWVZKP-UHFFFAOYSA-N 0 0 448.976 2.872 50 0 IFAARN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1 ZINC000010187230 132243275 /nfs/dbraw/zinc/24/32/75/132243275.db2.gz OHWJQBVHEVYFMW-INIZCTEOSA-N 0 0 439.990 2.903 50 0 IFAARN CCN1CCN(c2ncc3c(n2)C[C@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)CC1 ZINC000002199979 132248688 /nfs/dbraw/zinc/24/86/88/132248688.db2.gz LFCXGNKMUFQVTH-HNNXBMFYSA-N 0 0 426.517 2.557 50 0 IFAARN O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccccc2)CC1 ZINC000002460760 132254726 /nfs/dbraw/zinc/25/47/26/132254726.db2.gz QJDNWEICDHIBRC-UHFFFAOYSA-N 0 0 426.542 2.661 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 ZINC000002877316 132258046 /nfs/dbraw/zinc/25/80/46/132258046.db2.gz DWFKGEDOENKRAV-IBGZPJMESA-N 0 0 445.585 2.815 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000002993039 132260233 /nfs/dbraw/zinc/26/02/33/132260233.db2.gz OBONBYSHMIXXJH-UHFFFAOYSA-N 0 0 425.913 2.594 50 0 IFAARN O=C(c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1)N1CCN(c2ncccn2)CC1 ZINC000003056716 132261139 /nfs/dbraw/zinc/26/11/39/132261139.db2.gz UVLRFGGVLQRDJS-PGMHBOJBSA-N 0 0 427.464 2.811 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(N2CCCCC2)cc1 ZINC000003281298 132263060 /nfs/dbraw/zinc/26/30/60/132263060.db2.gz FPIZFXBGTCBDEP-DEOSSOPVSA-N 0 0 434.496 2.845 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000003286356 132263360 /nfs/dbraw/zinc/26/33/60/132263360.db2.gz XKGJUAWIIFVOFX-UHFFFAOYSA-N 0 0 441.475 2.918 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000003407644 132265035 /nfs/dbraw/zinc/26/50/35/132265035.db2.gz SQYVHPQIXJCYDB-UHFFFAOYSA-N 0 0 441.509 2.847 50 0 IFAARN O=C(NCCCN1CCCC1=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000003448753 132265603 /nfs/dbraw/zinc/26/56/03/132265603.db2.gz PJCGVZGDEWEUKV-UHFFFAOYSA-N 0 0 441.553 2.570 50 0 IFAARN O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000004763766 132273801 /nfs/dbraw/zinc/27/38/01/132273801.db2.gz TYHYRLAVQUSCTH-UHFFFAOYSA-N 0 0 432.933 2.534 50 0 IFAARN CC(=O)N1CCN(c2cc(C)nc(SCc3cccc(C(=O)NC4CC4)c3)n2)CC1 ZINC000006695714 132278273 /nfs/dbraw/zinc/27/82/73/132278273.db2.gz JQXCPUHZDXXHAG-UHFFFAOYSA-N 0 0 425.558 2.638 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1-c1noc(C)n1 ZINC000008587188 132282852 /nfs/dbraw/zinc/28/28/52/132282852.db2.gz RQTLNWKKMJXDEL-UHFFFAOYSA-N 0 0 432.477 2.704 50 0 IFAARN CCN1CCN(c2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccsc32)CC1 ZINC000008589295 132283475 /nfs/dbraw/zinc/28/34/75/132283475.db2.gz PQBRTSFRXFWYLF-UHFFFAOYSA-N 0 0 442.570 2.622 50 0 IFAARN CN1CCN(c2nc3c(S(=O)(=O)c4ccc(Cl)cc4)nnn3c3ccsc32)CC1 ZINC000008589352 132283482 /nfs/dbraw/zinc/28/34/82/132283482.db2.gz GXUNHQCVYRPRRJ-UHFFFAOYSA-N 0 0 448.961 2.577 50 0 IFAARN O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(c2ccccc2F)CC1 ZINC000008593703 132284490 /nfs/dbraw/zinc/28/44/90/132284490.db2.gz TXXMYSJFAXIDHA-MRXNPFEDSA-N 0 0 437.562 2.637 50 0 IFAARN Cc1oc2nc(C)nc(N3CCOCC3)c2c1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000008596804 132285297 /nfs/dbraw/zinc/28/52/97/132285297.db2.gz HPCSYSGMLSQZMV-UHFFFAOYSA-N 0 0 439.491 2.778 50 0 IFAARN CSc1ccc(CNC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)cc1 ZINC000008599264 132285866 /nfs/dbraw/zinc/28/58/66/132285866.db2.gz MSLYRTDOIQBFSE-UHFFFAOYSA-N 0 0 449.580 2.608 50 0 IFAARN CCc1ccccc1NC(=O)Cn1nc(N2CCN(c3ccccc3OC)CC2)ccc1=O ZINC000008600099 132286134 /nfs/dbraw/zinc/28/61/34/132286134.db2.gz XUNZOWIIGSUCGH-UHFFFAOYSA-N 0 0 447.539 2.780 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2ncc3c2c2cc(C)ccc2oc3=O)CC1 ZINC000008599833 132286140 /nfs/dbraw/zinc/28/61/40/132286140.db2.gz UCYFYRTYWANEJX-UHFFFAOYSA-N 0 0 432.480 2.809 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)ccc21 ZINC000008600802 132286357 /nfs/dbraw/zinc/28/63/57/132286357.db2.gz JBJVBAQHVZIZAN-UHFFFAOYSA-N 0 0 447.601 2.835 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CS(=O)(=O)c3cccc4nsnc43)C[C@H]2C)c1 ZINC000008600678 132286379 /nfs/dbraw/zinc/28/63/79/132286379.db2.gz BKDHIUAFFFDBTM-OAHLLOKOSA-N 0 0 430.555 2.511 50 0 IFAARN COc1cc(CNC(=O)c2ccc3c(c2)N(C)C(=O)[C@H]2CCCCN32)cc(OC)c1OC ZINC000008609705 132287823 /nfs/dbraw/zinc/28/78/23/132287823.db2.gz RTWRHDCTTRWDIP-GOSISDBHSA-N 0 0 439.512 2.978 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)cc1C ZINC000008673293 132290117 /nfs/dbraw/zinc/29/01/17/132290117.db2.gz GSTSECPAXCTTKI-UHFFFAOYSA-N 0 0 433.555 2.631 50 0 IFAARN O=C(CCn1c(=O)oc2ccccc21)OCC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000008768480 132293797 /nfs/dbraw/zinc/29/37/97/132293797.db2.gz JFJSGHGQOJNQLN-UHFFFAOYSA-N 0 0 449.463 2.826 50 0 IFAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O ZINC000008886462 132296914 /nfs/dbraw/zinc/29/69/14/132296914.db2.gz FTCDLFNXSQGZMZ-XMMPIXPASA-N 0 0 428.448 2.592 50 0 IFAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000008965583 132298670 /nfs/dbraw/zinc/29/86/70/132298670.db2.gz GECRAKFKWWSYPL-LJQANCHMSA-N 0 0 433.464 2.887 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000009060883 132301591 /nfs/dbraw/zinc/30/15/91/132301591.db2.gz BQBFAIGILCCCLC-OAQYLSRUSA-N 0 0 431.533 2.636 50 0 IFAARN Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCOCC4)c(F)cc3c2=O)cc1C ZINC000009119120 132304657 /nfs/dbraw/zinc/30/46/57/132304657.db2.gz WTDXUNRJHCEERI-UHFFFAOYSA-N 0 0 430.501 2.964 50 0 IFAARN CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000009125999 132305186 /nfs/dbraw/zinc/30/51/86/132305186.db2.gz DNBFBDKQOGIAIW-FQEVSTJZSA-N 0 0 449.960 2.502 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCCc2ccccc21 ZINC000009125387 132305187 /nfs/dbraw/zinc/30/51/87/132305187.db2.gz KIOYDQHCMKUNFD-UHFFFAOYSA-N 0 0 442.537 2.838 50 0 IFAARN CC(C)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 ZINC000009126480 132305339 /nfs/dbraw/zinc/30/53/39/132305339.db2.gz ZAJWCOHTJBBSBF-QHCPKHFHSA-N 0 0 431.540 2.662 50 0 IFAARN O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CC(=O)Nc2ccccc21 ZINC000009172879 132307562 /nfs/dbraw/zinc/30/75/62/132307562.db2.gz DHIYDDVGMANASL-FMIVXFBMSA-N 0 0 437.477 2.757 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211251 132309134 /nfs/dbraw/zinc/30/91/34/132309134.db2.gz YDZUQHDTOYENNS-UHFFFAOYSA-N 0 0 448.527 2.814 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1 ZINC000009228504 132310060 /nfs/dbraw/zinc/31/00/60/132310060.db2.gz MGXARHDINHFXQO-UHFFFAOYSA-N 0 0 433.574 2.946 50 0 IFAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O ZINC000009386815 132314760 /nfs/dbraw/zinc/31/47/60/132314760.db2.gz YLLDJNNESPUODR-QFIPXVFZSA-N 0 0 440.887 2.871 50 0 IFAARN CCCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O ZINC000009429651 132316888 /nfs/dbraw/zinc/31/68/88/132316888.db2.gz LNISKEMQKNHOST-PXDATVDWSA-N 0 0 432.524 2.803 50 0 IFAARN Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)c(C)c1 ZINC000009435397 132317481 /nfs/dbraw/zinc/31/74/81/132317481.db2.gz YXICLWUTFYXANG-UHFFFAOYSA-N 0 0 443.544 2.879 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 ZINC000009439569 132317815 /nfs/dbraw/zinc/31/78/15/132317815.db2.gz ZQIBRSOYEMJDGF-AWEZNQCLSA-N 0 0 433.555 2.639 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CC1 ZINC000009469530 132318764 /nfs/dbraw/zinc/31/87/64/132318764.db2.gz JGAKSAIEKKKORL-UHFFFAOYSA-N 0 0 429.826 2.878 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c2ccccc2O1 ZINC000009503466 132319671 /nfs/dbraw/zinc/31/96/71/132319671.db2.gz HEJCEFINWHMBTC-OAHLLOKOSA-N 0 0 449.488 2.854 50 0 IFAARN Cc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N2CCC3(CC2)OCCO3)cc1C ZINC000009546134 132321230 /nfs/dbraw/zinc/32/12/30/132321230.db2.gz DVSRJMVNHVOGBZ-XMMPIXPASA-N 0 0 437.496 2.866 50 0 IFAARN Cc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N2CCC3(CC2)OCCO3)cc1C ZINC000009546133 132321243 /nfs/dbraw/zinc/32/12/43/132321243.db2.gz DVSRJMVNHVOGBZ-DEOSSOPVSA-N 0 0 437.496 2.866 50 0 IFAARN O=C(CCn1nnc2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009579911 132322218 /nfs/dbraw/zinc/32/22/18/132322218.db2.gz QAQZINXGTYXICU-UHFFFAOYSA-N 0 0 431.418 2.549 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC(=O)Oc2ccccc21 ZINC000009595516 132322612 /nfs/dbraw/zinc/32/26/12/132322612.db2.gz UCSCIJCQRYTQLW-UHFFFAOYSA-N 0 0 443.525 2.534 50 0 IFAARN O=C(CSCc1cc(=O)n2c3c(sc2n1)CCCC3)N1CC(=O)Nc2ccccc21 ZINC000009594670 132322653 /nfs/dbraw/zinc/32/26/53/132322653.db2.gz IIIGLXSFGMIGMQ-UHFFFAOYSA-N 0 0 440.550 2.853 50 0 IFAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)OCC(=O)N3CCOCC3)[C@@H]2c2cccs2)cc1 ZINC000009603566 132323194 /nfs/dbraw/zinc/32/31/94/132323194.db2.gz ULYQMXYALCNEFC-PGRDOPGGSA-N 0 0 442.537 2.943 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)c1C(=O)N1CCCC1 ZINC000009684144 132325687 /nfs/dbraw/zinc/32/56/87/132325687.db2.gz OKADCHYJNBRKBY-UHFFFAOYSA-N 0 0 444.601 2.995 50 0 IFAARN O=C(/C=C/c1nc2ccccc2s1)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009739004 132328092 /nfs/dbraw/zinc/32/80/92/132328092.db2.gz GFYZEOLQRTXNKF-YXBWYFRISA-N 0 0 435.505 2.963 50 0 IFAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O ZINC000009793383 132329171 /nfs/dbraw/zinc/32/91/71/132329171.db2.gz PDKAGIHHEKMLNV-DEOSSOPVSA-N 0 0 428.448 2.592 50 0 IFAARN O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(c2ccc(O)cc2)CC1 ZINC000009847310 132329992 /nfs/dbraw/zinc/32/99/92/132329992.db2.gz DZPDKLIOCBGNPO-UHFFFAOYSA-N 0 0 431.543 2.890 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O ZINC000009992313 132333578 /nfs/dbraw/zinc/33/35/78/132333578.db2.gz NTYLVPDNSZXZDL-DEOSSOPVSA-N 0 0 435.480 2.594 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 ZINC000010135304 132334867 /nfs/dbraw/zinc/33/48/67/132334867.db2.gz CLOLXYADYFZSGY-UHFFFAOYSA-N 0 0 447.421 2.957 50 0 IFAARN CCN(CC)C(=O)CN1c2ccccc2S(=O)(=O)N(c2ccc(OC)c(OC)c2)C1=O ZINC000010273818 132335457 /nfs/dbraw/zinc/33/54/57/132335457.db2.gz DNKFJWSRJRJTJA-UHFFFAOYSA-N 0 0 447.513 2.708 50 0 IFAARN CN(Cc1ccccc1N1CCOCC1)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000010901212 132336635 /nfs/dbraw/zinc/33/66/35/132336635.db2.gz AUKXTAFRAMEJOR-UHFFFAOYSA-N 0 0 446.345 2.674 50 0 IFAARN CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)CCc3ccc(OC)cc3)cc21 ZINC000011612446 132338124 /nfs/dbraw/zinc/33/81/24/132338124.db2.gz ZDRPNFIHFPRSBN-UHFFFAOYSA-N 0 0 438.571 2.782 50 0 IFAARN O=C(Cc1ccccc1)NCCn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1 ZINC000011665981 132338393 /nfs/dbraw/zinc/33/83/93/132338393.db2.gz GPQLNZJKQUWQSB-UHFFFAOYSA-N 0 0 441.539 2.512 50 0 IFAARN O=C(NCCn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1)c1cccs1 ZINC000011666022 132338430 /nfs/dbraw/zinc/33/84/30/132338430.db2.gz XAXUIKVLJVPXDF-UHFFFAOYSA-N 0 0 433.541 2.644 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1OC ZINC000011697187 132338997 /nfs/dbraw/zinc/33/89/97/132338997.db2.gz UGNOMSVQGREMMW-UHFFFAOYSA-N 0 0 434.500 2.903 50 0 IFAARN O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1 ZINC000011796407 132340208 /nfs/dbraw/zinc/34/02/08/132340208.db2.gz APDVILWPDNDBOW-UHFFFAOYSA-N 0 0 445.516 2.844 50 0 IFAARN CC(C)[C@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)c1ccc2c(c1)OCCO2 ZINC000012984145 132341253 /nfs/dbraw/zinc/34/12/53/132341253.db2.gz XPGOVXXEHWGCFL-QFIPXVFZSA-N 0 0 426.517 2.886 50 0 IFAARN Cc1nc2c(s1)c(-c1ccco1)nn(CC(=O)N1CCN(c3ccccc3)CC1)c2=O ZINC000013010478 132342401 /nfs/dbraw/zinc/34/24/01/132342401.db2.gz ALKCXXIZGSNWED-UHFFFAOYSA-N 0 0 435.509 2.770 50 0 IFAARN COc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)CC2)c1 ZINC000013041312 132343443 /nfs/dbraw/zinc/34/34/43/132343443.db2.gz QRXQRJCKMQAJCZ-UHFFFAOYSA-N 0 0 431.558 2.687 50 0 IFAARN COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCN(c3ccccc3O)CC2)C1=O ZINC000013060933 132343834 /nfs/dbraw/zinc/34/38/34/132343834.db2.gz YVCUIKLKMQZYIQ-SFHVURJKSA-N 0 0 429.904 2.817 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(c2ccccc2)CC1 ZINC000013073468 132344115 /nfs/dbraw/zinc/34/41/15/132344115.db2.gz USSGKDMMYYWYIY-UHFFFAOYSA-N 0 0 427.570 2.583 50 0 IFAARN O=C(c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CCN(c2ccccn2)CC1 ZINC000013140294 132345789 /nfs/dbraw/zinc/34/57/89/132345789.db2.gz HXVLXVBIEVNEAI-UHFFFAOYSA-N 0 0 440.500 2.984 50 0 IFAARN COc1cc(NC(=O)C2CCN(c3nc(Cl)nc4nc[nH]c43)CC2)cc(OC)c1OC ZINC000013551032 132349677 /nfs/dbraw/zinc/34/96/77/132349677.db2.gz NBNQWZFHQMMCFQ-UHFFFAOYSA-N 0 0 446.895 2.887 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1cccc(Cl)c1Cl ZINC000013566738 132350381 /nfs/dbraw/zinc/35/03/81/132350381.db2.gz NDTGKFDECBEZGO-UHFFFAOYSA-N 0 0 428.297 2.745 50 0 IFAARN COc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nn1 ZINC000013663779 132352662 /nfs/dbraw/zinc/35/26/62/132352662.db2.gz JDLQKEJETFXMLF-UHFFFAOYSA-N 0 0 446.479 2.941 50 0 IFAARN COc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nn1 ZINC000013663754 132352700 /nfs/dbraw/zinc/35/27/00/132352700.db2.gz BKQYZDYOIQEYPI-UHFFFAOYSA-N 0 0 428.489 2.802 50 0 IFAARN O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 ZINC000013665188 132352741 /nfs/dbraw/zinc/35/27/41/132352741.db2.gz VETNLCXKZUOBQK-UHFFFAOYSA-N 0 0 447.451 2.955 50 0 IFAARN CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)C1=O ZINC000013723087 132354189 /nfs/dbraw/zinc/35/41/89/132354189.db2.gz GFMRXEUVXNNXHD-UHFFFAOYSA-N 0 0 434.539 2.531 50 0 IFAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000013777919 132354582 /nfs/dbraw/zinc/35/45/82/132354582.db2.gz LCUYRCCTDDEXRU-UHFFFAOYSA-N 0 0 432.358 2.584 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(C(=O)Cn3nnc(-c4cccc(Cl)c4)n3)ccc21 ZINC000014180445 132356430 /nfs/dbraw/zinc/35/64/30/132356430.db2.gz MPRNBJWKGOWATK-UHFFFAOYSA-N 0 0 431.905 2.589 50 0 IFAARN CN(C)C(=O)[C@@H]1CN(C(=O)c2cccc(I)c2)c2ccccc2O1 ZINC000014198582 132356745 /nfs/dbraw/zinc/35/67/45/132356745.db2.gz NYZXNMJOSREVGG-INIZCTEOSA-N 0 0 436.249 2.787 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CNc1ccccc1C(=O)NC[C@H]1CCCO1)OCO2 ZINC000012640579 518293552 /nfs/dbraw/zinc/29/35/52/518293552.db2.gz NCCROUJPSDNMJU-OAHLLOKOSA-N 0 0 439.468 2.577 50 0 IFAARN CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(Cc4cccc(C)c4)CC3)CC2)cc1 ZINC000012563498 518349630 /nfs/dbraw/zinc/34/96/30/518349630.db2.gz ANZDHLBDCABTIO-UHFFFAOYSA-N 0 0 434.584 2.664 50 0 IFAARN CC(=O)c1ccc(N2CCN([C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000012556289 518351585 /nfs/dbraw/zinc/35/15/85/518351585.db2.gz ANWUXKCRFMEXBT-OAQYLSRUSA-N 0 0 434.584 2.744 50 0 IFAARN CC(=O)c1ccc(OCC(=O)N2CCC3(C[C@@H]3C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000012512291 518393100 /nfs/dbraw/zinc/39/31/00/518393100.db2.gz KCVFLHDARNNWFN-LLGFUMIMSA-N 0 0 428.529 2.533 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccnc2-n2cccn2)cc1 ZINC000023171486 518399815 /nfs/dbraw/zinc/39/98/15/518399815.db2.gz ASPXEHIZXSTMHX-UHFFFAOYSA-N 0 0 441.513 2.509 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1 ZINC000012443573 518404150 /nfs/dbraw/zinc/40/41/50/518404150.db2.gz FAIGGUHFPXXBBT-UHFFFAOYSA-N 0 0 428.539 2.919 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C=Cc3ccc4ccccc4n3)CC2)cc1 ZINC000033489926 518404260 /nfs/dbraw/zinc/40/42/60/518404260.db2.gz QZOSMYUESUBGRT-RAXLEYEMSA-N 0 0 449.532 2.984 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000012435342 518406635 /nfs/dbraw/zinc/40/66/35/518406635.db2.gz YLNZKVMRKCTLLR-UHFFFAOYSA-N 0 0 429.498 2.545 50 0 IFAARN CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)N4CCC(C(N)=O)CC4)[nH]c(=O)c32)C1 ZINC000021882637 518979600 /nfs/dbraw/zinc/97/96/00/518979600.db2.gz QZJATGWZKQNJSF-AWEZNQCLSA-N 0 0 444.601 2.792 50 0 IFAARN CC(C)(C)c1cc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000022615077 519003877 /nfs/dbraw/zinc/00/38/77/519003877.db2.gz SCPUNCCAVBBECG-ZFWWWQNUSA-N 0 0 430.530 2.605 50 0 IFAARN CC(=O)C[C@@H]1N(Cc2ccccc2)C(=O)[C@@H]2N(c3ccc(C)c(C)c3)C(=O)[C@H]3CC(=O)O[C@@]231 ZINC000035340038 519434946 /nfs/dbraw/zinc/43/49/46/519434946.db2.gz YXJDWIYXSUAMBD-ZRAZWPEBSA-N 0 0 446.503 2.711 50 0 IFAARN CC(C)Cn1c2nnc(-c3ccc(OCc4ccccc4)cc3)n2c2c1c(=O)[nH]c(=O)n2C ZINC000016838076 519491048 /nfs/dbraw/zinc/49/10/48/519491048.db2.gz XVPRVLKKNHPABB-UHFFFAOYSA-N 0 0 444.495 2.973 50 0 IFAARN CC(=O)N1CCC(C(=O)OCC(=O)N2CCc3sccc3C2)(c2ccccc2)CC1 ZINC000022315207 519503691 /nfs/dbraw/zinc/50/36/91/519503691.db2.gz LCMDOBVKRDHWCC-UHFFFAOYSA-N 0 0 426.538 2.756 50 0 IFAARN CC(=O)N1CCC(N(CCN2CCOCC2)C(=S)Nc2ccc(C)c(Cl)c2)CC1 ZINC000020730320 519512067 /nfs/dbraw/zinc/51/20/67/519512067.db2.gz GHVXPHYSDCSRGR-UHFFFAOYSA-N 0 0 439.025 2.990 50 0 IFAARN CC(=O)N1CCC(N(CCN2CCOCC2)C(=S)Nc2cccc(Cl)c2C)CC1 ZINC000020730315 519512368 /nfs/dbraw/zinc/51/23/68/519512368.db2.gz MKGKYALHQNGLCL-UHFFFAOYSA-N 0 0 439.025 2.990 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(F)cc3C)ccc21 ZINC000021114132 519561314 /nfs/dbraw/zinc/56/13/14/519561314.db2.gz JIHUIEUAYBPEBX-UHFFFAOYSA-N 0 0 433.505 2.692 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)ccc21 ZINC000033077368 519561884 /nfs/dbraw/zinc/56/18/84/519561884.db2.gz KKGRIWUZEAXKIH-UHFFFAOYSA-N 0 0 447.601 2.645 50 0 IFAARN CC(=O)N1CCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C2CC2)CC1 ZINC000012279279 519580228 /nfs/dbraw/zinc/58/02/28/519580228.db2.gz UXIADNREDYJVDE-UHFFFAOYSA-N 0 0 436.541 2.881 50 0 IFAARN CC(=O)N1CCN(Cc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)CC1 ZINC000022405990 519587952 /nfs/dbraw/zinc/58/79/52/519587952.db2.gz MJCFAAGGHJCBTQ-UHFFFAOYSA-N 0 0 444.127 2.525 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 ZINC000023651863 519631490 /nfs/dbraw/zinc/63/14/90/519631490.db2.gz YWRMTYPIFUTOSL-UHFFFAOYSA-N 0 0 440.525 2.573 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 ZINC000014425136 519631651 /nfs/dbraw/zinc/63/16/51/519631651.db2.gz CUJRNSFLNRZLAF-IBGZPJMESA-N 0 0 443.569 2.745 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3cccc(C)c3C)cc2C[C@H]1C ZINC000020529400 519639743 /nfs/dbraw/zinc/63/97/43/519639743.db2.gz BAZIKXRMQPZHKB-OAHLLOKOSA-N 0 0 429.542 2.908 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)S1 ZINC000020896504 519643437 /nfs/dbraw/zinc/64/34/37/519643437.db2.gz YGNFCIWOUCXQMS-SFHVURJKSA-N 0 0 433.511 2.764 50 0 IFAARN CC(C)CCNC(=O)[C@@]1(C)CN(S(=O)(=O)c2ccccc2)CC(=O)N1C1CCCCC1 ZINC000021870385 519660000 /nfs/dbraw/zinc/66/00/00/519660000.db2.gz LNYXKUUTWUJPPW-HSZRJFAPSA-N 0 0 449.617 2.773 50 0 IFAARN CC(C)N(Cc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc21 ZINC000012200162 519662243 /nfs/dbraw/zinc/66/22/43/519662243.db2.gz FUJRKYHGAYXWKD-HSZRJFAPSA-N 0 0 433.556 2.701 50 0 IFAARN CC(C)N(Cc1nccn1C)Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12 ZINC000012317222 519664093 /nfs/dbraw/zinc/66/40/93/519664093.db2.gz IJFSZVURZVWSNH-IYBDPMFKSA-N 0 0 430.578 2.789 50 0 IFAARN CC(=O)NCCc1ccc(C(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)s1 ZINC000021761079 519669097 /nfs/dbraw/zinc/66/90/97/519669097.db2.gz KBWHGHBWEPDGPR-UHFFFAOYSA-N 0 0 445.493 2.587 50 0 IFAARN CC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)s1 ZINC000012591513 519675164 /nfs/dbraw/zinc/67/51/64/519675164.db2.gz LTQAUHYVPGXLFF-NRFANRHFSA-N 0 0 425.466 2.780 50 0 IFAARN CC(=O)N[C@@H](C)C(=O)N1CCN(Cc2cccc(-c3noc(C4CCCC4)n3)c2)CC1 ZINC000022640864 519680648 /nfs/dbraw/zinc/68/06/48/519680648.db2.gz QJUILEAQWOQUEC-INIZCTEOSA-N 0 0 425.533 2.563 50 0 IFAARN CC(=O)N[C@H]1[C@@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1cccc2ccccc21 ZINC000241719788 519701419 /nfs/dbraw/zinc/70/14/19/519701419.db2.gz QPPZFMUEXZZDBD-PROFCWERSA-N 0 0 435.476 2.923 50 0 IFAARN CC(=O)Nc1c(C)cc(C)c(NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)c1C ZINC000012445162 519701695 /nfs/dbraw/zinc/70/16/95/519701695.db2.gz PFTCOLIEDRPYGE-UHFFFAOYSA-N 0 0 430.530 2.870 50 0 IFAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2ccccc2[C@H]1CC(=O)NC1CC1 ZINC000035559762 519714046 /nfs/dbraw/zinc/71/40/46/519714046.db2.gz ZSTKVXQLZWFACF-OAQYLSRUSA-N 0 0 441.553 2.910 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(C)c2=O)cc1 ZINC000021040583 519722036 /nfs/dbraw/zinc/72/20/36/519722036.db2.gz ARKWQXRQSKJXOJ-UHFFFAOYSA-N 0 0 444.495 2.957 50 0 IFAARN CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)[C@H]2CC(=O)c3ccccc32)CC1=O ZINC000020601608 519732290 /nfs/dbraw/zinc/73/22/90/519732290.db2.gz ULRYMSHGXPSSAG-KNQAVFIVSA-N 0 0 435.524 2.664 50 0 IFAARN CC(C)CNC(=O)[C@H](C(C)C)N1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2C ZINC000035964712 519739908 /nfs/dbraw/zinc/73/99/08/519739908.db2.gz CJTPNBMWGIKXJA-OALUTQOASA-N 0 0 432.952 2.929 50 0 IFAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 ZINC000012379825 519754643 /nfs/dbraw/zinc/75/46/43/519754643.db2.gz MEQUQAJVQWRJRK-QDMVCWPOSA-N 0 0 447.443 2.619 50 0 IFAARN CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 ZINC000012568351 519796992 /nfs/dbraw/zinc/79/69/92/519796992.db2.gz PPRRLQOQRHGKKG-RCZVLFRGSA-N 0 0 449.507 2.665 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NCCc1ccccc1 ZINC000021535760 519799326 /nfs/dbraw/zinc/79/93/26/519799326.db2.gz JOSWTASRVNVASR-JOCHJYFZSA-N 0 0 443.569 2.623 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NC1CCC(C)CC1 ZINC000020582012 519799360 /nfs/dbraw/zinc/79/93/60/519799360.db2.gz MIMUWOGPSHLLIS-AEJJIKPWSA-N 0 0 435.590 2.959 50 0 IFAARN CC(C)[C@@H]1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036014266 519806614 /nfs/dbraw/zinc/80/66/14/519806614.db2.gz MAELUKXTWCCZTD-NRFANRHFSA-N 0 0 445.560 2.963 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1nnc2ccccn21 ZINC000022691069 519821273 /nfs/dbraw/zinc/82/12/73/519821273.db2.gz UXLVISZLEKZBAD-NRFANRHFSA-N 0 0 437.525 2.502 50 0 IFAARN CC(C)c1nc2oc3c(ncnc3N3CCN(CCO)CC3)c2c2c1COC(C)(C)C2 ZINC000020518793 519872418 /nfs/dbraw/zinc/87/24/18/519872418.db2.gz VLNINZFHCNZEFX-UHFFFAOYSA-N 0 0 425.533 2.860 50 0 IFAARN CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)c2ccccc2O1 ZINC000018940854 519890664 /nfs/dbraw/zinc/89/06/64/519890664.db2.gz HGPCXWSIMUPCKK-ZDUSSCGKSA-N 0 0 445.360 2.993 50 0 IFAARN CC(C)c1nnc2ccc(N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)nn21 ZINC000020745152 519893341 /nfs/dbraw/zinc/89/33/41/519893341.db2.gz MXOIKKVWDUDJNJ-UHFFFAOYSA-N 0 0 433.560 2.813 50 0 IFAARN CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3C)CC2)N1C(=O)c1ccccc1 ZINC000035986800 519896812 /nfs/dbraw/zinc/89/68/12/519896812.db2.gz KLMDMFOBLRCFFK-JOCHJYFZSA-N 0 0 449.551 2.995 50 0 IFAARN CC(C)c1noc(Cn2cnc3c4ccccc4n(CC(=O)NCc4ccco4)c3c2=O)n1 ZINC000033281338 519906546 /nfs/dbraw/zinc/90/65/46/519906546.db2.gz MCQLEOAXKIMUNM-UHFFFAOYSA-N 0 0 446.467 2.815 50 0 IFAARN CCN(C(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@H](C)O2)c1cccc(C)c1 ZINC000035452648 519909927 /nfs/dbraw/zinc/90/99/27/519909927.db2.gz JIMMUUCAKWFKJA-INIZCTEOSA-N 0 0 445.541 2.696 50 0 IFAARN CCN(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000012528963 519916728 /nfs/dbraw/zinc/91/67/28/519916728.db2.gz SFMOOLHJTVYNAX-OAHLLOKOSA-N 0 0 429.494 2.503 50 0 IFAARN CCNS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1cc3ccccc3o1)C2 ZINC000012185104 520057582 /nfs/dbraw/zinc/05/75/82/520057582.db2.gz RMGRWDORBYUPED-UHFFFAOYSA-N 0 0 448.522 2.778 50 0 IFAARN CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000012818797 520124807 /nfs/dbraw/zinc/12/48/07/520124807.db2.gz BOKIXSYKIGDNIF-GFCCVEGCSA-N 0 0 442.925 2.552 50 0 IFAARN CCCCCN(C(=O)CN1CCCc2ccccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000008825754 520141635 /nfs/dbraw/zinc/14/16/35/520141635.db2.gz XURXTUKDPMISOY-UHFFFAOYSA-N 0 0 441.576 2.895 50 0 IFAARN CCN(C)C(=O)[C@H](C)N1CC2=C(C1=O)[C@@H](c1ccccc1C(F)(F)F)NC(=O)N2CC ZINC000035966481 520204853 /nfs/dbraw/zinc/20/48/53/520204853.db2.gz GQLOEWBQAJOGSS-YVEFUNNKSA-N 0 0 438.450 2.755 50 0 IFAARN CC1(C(=O)NCc2ccc3c(c2)OCO3)CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000035531323 520225440 /nfs/dbraw/zinc/22/54/40/520225440.db2.gz VGDDQOBJHTVQGV-UHFFFAOYSA-N 0 0 430.526 2.664 50 0 IFAARN CCCOc1cc(N2CCN(S(=O)(=O)c3ccc(OC)c(C)c3C)CC2)nc(C)n1 ZINC000012224865 520313617 /nfs/dbraw/zinc/31/36/17/520313617.db2.gz XZLKMHSAUXNQLE-UHFFFAOYSA-N 0 0 434.562 2.710 50 0 IFAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000012522416 520318301 /nfs/dbraw/zinc/31/83/01/520318301.db2.gz VYICMUAFZANGDF-UHFFFAOYSA-N 0 0 446.508 2.649 50 0 IFAARN CCCCN(C(=O)CN1CCSc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013130450 520342672 /nfs/dbraw/zinc/34/26/72/520342672.db2.gz YXFGVEYRCMOTPS-UHFFFAOYSA-N 0 0 445.589 2.520 50 0 IFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000012846589 520353013 /nfs/dbraw/zinc/35/30/13/520353013.db2.gz VJDVWWAJURMGNH-UHFFFAOYSA-N 0 0 426.423 2.671 50 0 IFAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000023078410 520367926 /nfs/dbraw/zinc/36/79/26/520367926.db2.gz JZSJRUVDGQNKAG-UHFFFAOYSA-N 0 0 432.402 2.903 50 0 IFAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC000012754447 520458153 /nfs/dbraw/zinc/45/81/53/520458153.db2.gz DHUBCYCSNVQPNQ-HXUWFJFHSA-N 0 0 429.561 2.972 50 0 IFAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000011842506 520462585 /nfs/dbraw/zinc/46/25/85/520462585.db2.gz DYQOHKNCLRDVOX-UHFFFAOYSA-N 0 0 436.530 2.877 50 0 IFAARN CCOC(=O)C1=C(C)N(CC(=O)NCc2ccc(F)cc2)c2ncnn2[C@@H]1c1ccccc1 ZINC000021350168 520474764 /nfs/dbraw/zinc/47/47/64/520474764.db2.gz LXVLBAQBANXGKR-JOCHJYFZSA-N 0 0 449.486 2.980 50 0 IFAARN CCCCN(CCCC)C(=O)CCNS(=O)(=O)c1cc(Br)cnc1N ZINC000020487413 520488026 /nfs/dbraw/zinc/48/80/26/520488026.db2.gz HKGDVWZOIRQOET-UHFFFAOYSA-N 0 0 435.388 2.524 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1 ZINC000035991467 520508400 /nfs/dbraw/zinc/50/84/00/520508400.db2.gz NZIDLSWINUBAHK-OAQYLSRUSA-N 0 0 443.544 2.783 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2cc(C)cc(C)c2)[C@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870211 520516116 /nfs/dbraw/zinc/51/61/16/520516116.db2.gz MPIGVUQDQOSQNG-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(c3ccccc3Cl)CC2)NC(=O)N[C@H]1c1ccco1 ZINC000015402566 520516281 /nfs/dbraw/zinc/51/62/81/520516281.db2.gz BFPGTTFEWOXYJQ-FQEVSTJZSA-N 0 0 444.919 2.926 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557858 520517404 /nfs/dbraw/zinc/51/74/04/520517404.db2.gz HZFAYIIGHXUOLJ-QFIPXVFZSA-N 0 0 438.503 2.819 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(COc3ccc(F)cc3)o2)NC(=O)N[C@@H]1C ZINC000024463054 520522550 /nfs/dbraw/zinc/52/25/50/520522550.db2.gz QLPRXWYTXDKVKE-GFCCVEGCSA-N 0 0 432.404 2.673 50 0 IFAARN CCOC(=O)C1=C(N)Nc2ccccc2[C@]12C(=O)OC(C)=C2C(=O)OCc1ccccc1 ZINC000020609459 520529493 /nfs/dbraw/zinc/52/94/93/520529493.db2.gz RABSRVXOMFXMOF-XMMPIXPASA-N 0 0 434.448 2.658 50 0 IFAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCCOC)s1 ZINC000017287153 520545952 /nfs/dbraw/zinc/54/59/52/520545952.db2.gz JMHDHQHIEDQLKL-UHFFFAOYSA-N 0 0 432.589 2.916 50 0 IFAARN CCCCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1 ZINC000035269349 520618388 /nfs/dbraw/zinc/61/83/88/520618388.db2.gz IFNBPQDRHIOUCA-UHFFFAOYSA-N 0 0 426.565 2.564 50 0 IFAARN CCC[C@@H](C)NC(=O)COC(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000022208126 520655343 /nfs/dbraw/zinc/65/53/43/520655343.db2.gz XSQRSHAXSDCJDV-QGZVFWFLSA-N 0 0 434.533 2.938 50 0 IFAARN CCCCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)C1 ZINC000033263519 520674492 /nfs/dbraw/zinc/67/44/92/520674492.db2.gz QQJCXLMTMKQUJW-AWEZNQCLSA-N 0 0 445.545 2.568 50 0 IFAARN CC1(C)c2cc(S(=O)(=O)N3CCCC3)ccc2N(CC(=O)Nc2ccccc2F)C1=O ZINC000035398697 520684331 /nfs/dbraw/zinc/68/43/31/520684331.db2.gz IAZMOUDHYHMPOO-UHFFFAOYSA-N 0 0 445.516 2.873 50 0 IFAARN CCOC(=O)CCNC(=O)N1CCn2cccc2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000012344913 520685164 /nfs/dbraw/zinc/68/51/64/520685164.db2.gz GOALGPKYNLYIMU-FQEVSTJZSA-N 0 0 431.489 2.582 50 0 IFAARN CCOC(=O)CCNC(=O)N1CCC[C@](Cc2ccc(F)cc2F)(C(=O)OCC)C1 ZINC000014958380 520685200 /nfs/dbraw/zinc/68/52/00/520685200.db2.gz KSMJPAMVDDGKNQ-OAQYLSRUSA-N 0 0 426.460 2.815 50 0 IFAARN CCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000016447855 520686700 /nfs/dbraw/zinc/68/67/00/520686700.db2.gz QZKZZPKRXNEZTQ-UHFFFAOYSA-N 0 0 445.541 2.824 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000022413253 520789780 /nfs/dbraw/zinc/78/97/80/520789780.db2.gz HKONKAMPBQHVTL-UHFFFAOYSA-N 0 0 426.922 2.742 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)nc3ccc(C)cn3c2=O)cc1 ZINC000012180806 520792148 /nfs/dbraw/zinc/79/21/48/520792148.db2.gz YHBWZTPGPDGICJ-UHFFFAOYSA-N 0 0 428.514 2.594 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(OC)nc2)c1 ZINC000021184151 520799184 /nfs/dbraw/zinc/79/91/84/520799184.db2.gz ATMRUODNPILOQH-UHFFFAOYSA-N 0 0 432.546 2.973 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 ZINC000012804052 520802060 /nfs/dbraw/zinc/80/20/60/520802060.db2.gz HBSIGNCYMZXTID-UHFFFAOYSA-N 0 0 448.570 2.744 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)OCC(=O)C(C)(C)C)c1 ZINC000012549829 520802370 /nfs/dbraw/zinc/80/23/70/520802370.db2.gz JUWGEWYMHBGMBM-UHFFFAOYSA-N 0 0 428.551 2.547 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCc3ccc4c(c3)OCO4)n2C)c1 ZINC000035560998 520814541 /nfs/dbraw/zinc/81/45/41/520814541.db2.gz NTXNSSIGRLUANK-UHFFFAOYSA-N 0 0 443.525 2.868 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 ZINC000012692508 520819285 /nfs/dbraw/zinc/81/92/85/520819285.db2.gz YUMUFWWDDSHUJE-UHFFFAOYSA-N 0 0 428.514 2.839 50 0 IFAARN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2nc(N)nc(N)n2)cc1 ZINC000012534541 520833523 /nfs/dbraw/zinc/83/35/23/520833523.db2.gz IQVRBXJBBUFBOF-UHFFFAOYSA-N 0 0 434.529 2.899 50 0 IFAARN C=C1C(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000021913537 520843303 /nfs/dbraw/zinc/84/33/03/520843303.db2.gz TVUQRHLFFAOKCZ-FQEVSTJZSA-N 0 0 445.585 2.784 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1OC ZINC000012908930 520899246 /nfs/dbraw/zinc/89/92/46/520899246.db2.gz AGKSRPVRLDEJJR-UHFFFAOYSA-N 0 0 432.542 2.857 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC ZINC000010109485 520904397 /nfs/dbraw/zinc/90/43/97/520904397.db2.gz DVZFCKFFRNCCTH-UHFFFAOYSA-N 0 0 430.501 2.590 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)n1 ZINC000021530108 520909065 /nfs/dbraw/zinc/90/90/65/520909065.db2.gz GYPDPINISAYCJM-UHFFFAOYSA-N 0 0 431.495 2.549 50 0 IFAARN CCOc1ccc(C(=O)NCCNC(=O)c2nc(-c3cccs3)no2)cc1OCC ZINC000012412123 520909121 /nfs/dbraw/zinc/90/91/21/520909121.db2.gz NGQDSILDPNNYLA-UHFFFAOYSA-N 0 0 430.486 2.755 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000023798771 520929732 /nfs/dbraw/zinc/92/97/32/520929732.db2.gz AWUCWUWAXGBOEE-UHFFFAOYSA-N 0 0 428.489 2.599 50 0 IFAARN CCOC(=O)N1CCN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 ZINC000012564381 520943157 /nfs/dbraw/zinc/94/31/57/520943157.db2.gz OITJBLSDJPKOEJ-FMIVXFBMSA-N 0 0 449.573 2.565 50 0 IFAARN CCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)CC1 ZINC000012160656 520947018 /nfs/dbraw/zinc/94/70/18/520947018.db2.gz LKKTWPPIHMYLJO-OAHLLOKOSA-N 0 0 445.545 2.869 50 0 IFAARN CC1CCC(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000016051086 520948334 /nfs/dbraw/zinc/94/83/34/520948334.db2.gz HRFKTTLOLOIFHJ-UHFFFAOYSA-N 0 0 434.514 2.610 50 0 IFAARN CCOc1ccc(CCNS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)cc1OCC ZINC000012412201 520954646 /nfs/dbraw/zinc/95/46/46/520954646.db2.gz ABJLSJJFVOVFJM-UHFFFAOYSA-N 0 0 447.557 2.504 50 0 IFAARN CCCCSCCCNC(=O)Cn1ncn2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000021807884 520955797 /nfs/dbraw/zinc/95/57/97/520955797.db2.gz KNUOJHQTYUJEEK-UHFFFAOYSA-N 0 0 429.546 2.606 50 0 IFAARN CCOC(=O)N1CCN([C@@H](c2cccc(OC)c2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022696889 520957319 /nfs/dbraw/zinc/95/73/19/520957319.db2.gz KWPAGCQBVLJITQ-NRFANRHFSA-N 0 0 429.517 2.754 50 0 IFAARN CCOC(=O)N1CCN([C@H](c2ccccc2F)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697693 520959573 /nfs/dbraw/zinc/95/95/73/520959573.db2.gz BNWLBDLAPWHTRM-OAQYLSRUSA-N 0 0 447.507 2.511 50 0 IFAARN CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)C2)CC1 ZINC000020487991 520985545 /nfs/dbraw/zinc/98/55/45/520985545.db2.gz RQELDFLUQWRXKC-KRWDZBQOSA-N 0 0 447.601 2.600 50 0 IFAARN CC1CCN(C(=O)[C@H](NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2)CC1 ZINC000048373944 520985839 /nfs/dbraw/zinc/98/58/39/520985839.db2.gz XXWUZJSOZHBCPS-HSZRJFAPSA-N 0 0 436.556 2.916 50 0 IFAARN CCOc1ccc(CNC(=O)Cn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 ZINC000020563126 520986242 /nfs/dbraw/zinc/98/62/42/520986242.db2.gz RWGOPQQEHQWHNS-UHFFFAOYSA-N 0 0 431.496 2.914 50 0 IFAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C3CCCCC3)C2)cc1 ZINC000020511564 520993744 /nfs/dbraw/zinc/99/37/44/520993744.db2.gz SJJIZRJJIIHKAY-IBGZPJMESA-N 0 0 437.606 2.923 50 0 IFAARN CCOc1ccc(CNC(=O)c2cnc3sc(N4CCC[C@@H](C)C4)nn3c2=O)cc1 ZINC000021537732 520998890 /nfs/dbraw/zinc/99/88/90/520998890.db2.gz YILPRWNUXBDSPD-CQSZACIVSA-N 0 0 427.530 2.716 50 0 IFAARN CCOc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3)n(N)c2=O)cc1 ZINC000012347734 521012935 /nfs/dbraw/zinc/01/29/35/521012935.db2.gz ZODSRLVCRUIIHS-UHFFFAOYSA-N 0 0 445.932 2.726 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(-c3noc(CCC(=O)N4CCCC4)n3)cc2)CC1 ZINC000033276864 521029919 /nfs/dbraw/zinc/02/99/19/521029919.db2.gz KGPPNQOUQDQKBS-UHFFFAOYSA-N 0 0 432.546 2.712 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)NC2CCCCC2)CC1 ZINC000035428783 521032459 /nfs/dbraw/zinc/03/24/59/521032459.db2.gz IEQFMLVIFZQWNL-UHFFFAOYSA-N 0 0 447.601 2.835 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(ccn3CCC(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000020562767 521033477 /nfs/dbraw/zinc/03/34/77/521033477.db2.gz TZQOOXLLCZQBDY-LJQANCHMSA-N 0 0 433.574 2.747 50 0 IFAARN CC1CCN(c2nnc(SCCOc3ccc(S(N)(=O)=O)cc3)n2C2CC2)CC1 ZINC000021700921 521051248 /nfs/dbraw/zinc/05/12/48/521051248.db2.gz JPKSAMJKYOIPAE-UHFFFAOYSA-N 0 0 437.591 2.668 50 0 IFAARN CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OCC)cc3)CC2)cc1 ZINC000020766861 521060407 /nfs/dbraw/zinc/06/04/07/521060407.db2.gz OYZRAFZXYUHCGP-UHFFFAOYSA-N 0 0 440.544 2.679 50 0 IFAARN CCOc1ccc(NC(=O)NCC(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC ZINC000012930263 521090942 /nfs/dbraw/zinc/09/09/42/521090942.db2.gz ZHICGDCRYDIZCT-UHFFFAOYSA-N 0 0 445.516 2.982 50 0 IFAARN CCOc1ccc(NC(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1 ZINC000035426889 521098742 /nfs/dbraw/zinc/09/87/42/521098742.db2.gz IWGBGNQPPDMKCD-UHFFFAOYSA-N 0 0 425.489 2.756 50 0 IFAARN CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cc2ccccc2c(=O)[nH]1 ZINC000012796750 521099066 /nfs/dbraw/zinc/09/90/66/521099066.db2.gz JJYYOPLFGPVAIG-QGZVFWFLSA-N 0 0 438.509 2.764 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000020281165 521103811 /nfs/dbraw/zinc/10/38/11/521103811.db2.gz IUSZYCRQMJCVHA-INIZCTEOSA-N 0 0 432.527 2.882 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000012662061 521104646 /nfs/dbraw/zinc/10/46/46/521104646.db2.gz DOLWFAQJRSQZTQ-AOMKIAJQSA-N 0 0 440.452 2.901 50 0 IFAARN CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1S(=O)(=O)N(C)C ZINC000012749880 521110366 /nfs/dbraw/zinc/11/03/66/521110366.db2.gz VYHYLYCHWUYIFB-HNNXBMFYSA-N 0 0 435.477 2.539 50 0 IFAARN CCC[C@H](NC(=O)Cn1c2cccnc2n(Cc2ccncc2)c(=O)c1=O)c1cccs1 ZINC000035450609 521130031 /nfs/dbraw/zinc/13/00/31/521130031.db2.gz WFLAVWWAVDDVJZ-KRWDZBQOSA-N 0 0 449.536 2.721 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1Cl ZINC000012650805 521184750 /nfs/dbraw/zinc/18/47/50/521184750.db2.gz KTVVBNNYEZSZIJ-UHFFFAOYSA-N 0 0 440.905 2.769 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)cc1Cl ZINC000013567109 521194339 /nfs/dbraw/zinc/19/43/39/521194339.db2.gz KYNVAJFNUKDLGN-INIZCTEOSA-N 0 0 437.949 2.851 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cc1OCC ZINC000015363162 521197439 /nfs/dbraw/zinc/19/74/39/521197439.db2.gz CCNRRXDGQZUHMY-UHFFFAOYSA-N 0 0 434.558 2.999 50 0 IFAARN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cc2ccccc2c(=O)[nH]1 ZINC000012796754 521239391 /nfs/dbraw/zinc/23/93/91/521239391.db2.gz JJYYOPLFGPVAIG-KRWDZBQOSA-N 0 0 438.509 2.764 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 ZINC000012047433 521296037 /nfs/dbraw/zinc/29/60/37/521296037.db2.gz ICAKMCBISJVBEV-IBGZPJMESA-N 0 0 430.526 2.580 50 0 IFAARN CCCc1cc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)no1 ZINC000020450300 521353654 /nfs/dbraw/zinc/35/36/54/521353654.db2.gz TZIOHGODYDBYKP-LJQANCHMSA-N 0 0 440.544 2.778 50 0 IFAARN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000012744986 521358038 /nfs/dbraw/zinc/35/80/38/521358038.db2.gz IPUVOODPGZNGSJ-QFIPXVFZSA-N 0 0 433.574 2.922 50 0 IFAARN CCN(Cc1ccccc1)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O ZINC000011973606 521361299 /nfs/dbraw/zinc/36/12/99/521361299.db2.gz JDPZOYIDCSZLPQ-DEOSSOPVSA-N 0 0 426.488 2.908 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C ZINC000021916299 521382703 /nfs/dbraw/zinc/38/27/03/521382703.db2.gz UAGITYXPEKSUGK-KRWDZBQOSA-N 0 0 441.528 2.926 50 0 IFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(C)c(C)c1 ZINC000021717650 521397307 /nfs/dbraw/zinc/39/73/07/521397307.db2.gz KKNMRNOKFSBPMX-UHFFFAOYSA-N 0 0 435.546 2.835 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000008986934 521406321 /nfs/dbraw/zinc/40/63/21/521406321.db2.gz UIEOQTYHVYEYOR-UHFFFAOYSA-N 0 0 438.553 2.972 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000035292616 521408231 /nfs/dbraw/zinc/40/82/31/521408231.db2.gz SWJUTFJLMLCLLN-HXUWFJFHSA-N 0 0 435.977 2.825 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc3ccccn3c(=O)n1)CCC2 ZINC000016048064 521418661 /nfs/dbraw/zinc/41/86/61/521418661.db2.gz OHXMDLZPJDOXTG-NSHDSACASA-N 0 0 444.538 2.936 50 0 IFAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccc(C)cc3)oc1C)c(=O)n2C ZINC000012410772 521430393 /nfs/dbraw/zinc/43/03/93/521430393.db2.gz SKMKYRCXRXANHI-UHFFFAOYSA-N 0 0 448.479 2.900 50 0 IFAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3cccc(C)c3)oc1C)c(=O)n2C ZINC000021723099 521431585 /nfs/dbraw/zinc/43/15/85/521431585.db2.gz GVQVPBBBLDLNGL-UHFFFAOYSA-N 0 0 448.479 2.900 50 0 IFAARN CCOC(=O)c1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc(C(=O)OCC)c1 ZINC000014699869 521442239 /nfs/dbraw/zinc/44/22/39/521442239.db2.gz XGGAQWAJWFUZAC-UHFFFAOYSA-N 0 0 449.463 2.897 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2CC)cn1C ZINC000035376120 521447964 /nfs/dbraw/zinc/44/79/64/521447964.db2.gz GAOHXGZKOIJTFM-GOSISDBHSA-N 0 0 433.530 2.556 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C2=O ZINC000021879043 521451078 /nfs/dbraw/zinc/45/10/78/521451078.db2.gz CMYXOKTXZKVDGV-DEOSSOPVSA-N 0 0 438.528 2.842 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(CCc1cccs1)C2=O ZINC000021879121 521451781 /nfs/dbraw/zinc/45/17/81/521451781.db2.gz OMRPMMIRXBPMKZ-QFIPXVFZSA-N 0 0 444.557 2.637 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(c1ccccc1OC)C2=O ZINC000021781514 521454748 /nfs/dbraw/zinc/45/47/48/521454748.db2.gz YQXCKAUMMNWUSY-QHCPKHFHSA-N 0 0 442.516 2.650 50 0 IFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cccc(Cl)c1 ZINC000015883443 521454762 /nfs/dbraw/zinc/45/47/62/521454762.db2.gz NKJBIIUWBNXQAW-UHFFFAOYSA-N 0 0 432.933 2.969 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(Cc1cccc(F)c1)C2=O ZINC000021781442 521457083 /nfs/dbraw/zinc/45/70/83/521457083.db2.gz MUUXOQWLNFWRJD-HSZRJFAPSA-N 0 0 444.507 2.776 50 0 IFAARN CCOc1ccccc1C(=O)NCCn1ncc2c1ncn(Cc1ccccc1C)c2=O ZINC000012072096 521458180 /nfs/dbraw/zinc/45/81/80/521458180.db2.gz UHWCGCILNOGEPG-UHFFFAOYSA-N 0 0 431.496 2.778 50 0 IFAARN CCOc1ccccc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000035362590 521462454 /nfs/dbraw/zinc/46/24/54/521462454.db2.gz WFYMLBCNBAOCDV-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccc1Cl ZINC000012703587 521482231 /nfs/dbraw/zinc/48/22/31/521482231.db2.gz BCHVUSUNOOPZPD-FQEVSTJZSA-N 0 0 429.948 2.788 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CC(=O)N4CCCC[C@H]4C3=O)cc2)cc1 ZINC000020532261 521515582 /nfs/dbraw/zinc/51/55/82/521515582.db2.gz HZWFOSKYZMWQOB-NRFANRHFSA-N 0 0 449.507 2.839 50 0 IFAARN CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)c(=O)n1N ZINC000012348094 521533630 /nfs/dbraw/zinc/53/36/30/521533630.db2.gz NUZQHQSMILFZCG-UHFFFAOYSA-N 0 0 445.932 2.726 50 0 IFAARN CCN1C(=O)c2cc(C(=O)Nc3ccc(F)cc3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877409 521537962 /nfs/dbraw/zinc/53/79/62/521537962.db2.gz ZNBULSAXDKGRHP-JOCHJYFZSA-N 0 0 427.480 2.568 50 0 IFAARN CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCCc1ccccc1C ZINC000021919940 521538977 /nfs/dbraw/zinc/53/89/77/521538977.db2.gz TVTPEFYFQJIHNN-SANMLTNESA-N 0 0 446.551 2.659 50 0 IFAARN CCOc1ccccc1NC(=S)N(CCCN1CCOCC1)C1CCN(C(C)=O)CC1 ZINC000020730952 521551321 /nfs/dbraw/zinc/55/13/21/521551321.db2.gz AXZDBUZEQNBCOO-UHFFFAOYSA-N 0 0 448.633 2.817 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)cc2)c1N ZINC000021652171 521578513 /nfs/dbraw/zinc/57/85/13/521578513.db2.gz WHBAOIHYFVWRBG-CQSZACIVSA-N 0 0 436.468 2.893 50 0 IFAARN CCOC(=O)c1noc2ncn(Cc3nc(-c4ccc(OC)cc4OC)oc3C)c(=O)c21 ZINC000033059499 521607506 /nfs/dbraw/zinc/60/75/06/521607506.db2.gz DMUVYMQYWNXMCY-UHFFFAOYSA-N 0 0 440.412 2.590 50 0 IFAARN CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 ZINC000022083387 521609739 /nfs/dbraw/zinc/60/97/39/521609739.db2.gz LMKMQUCEIVTUKF-UHFFFAOYSA-N 0 0 447.465 2.883 50 0 IFAARN CCCn1c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccc(C)c1 ZINC000012770382 521633419 /nfs/dbraw/zinc/63/34/19/521633419.db2.gz JXHSHRDMOZUURF-QGZVFWFLSA-N 0 0 436.603 2.791 50 0 IFAARN CCCn1c2nnc(-c3ccc(OCc4ccccc4)cc3)n2c2c1c(=O)[nH]c(=O)n2C ZINC000016838072 521640277 /nfs/dbraw/zinc/64/02/77/521640277.db2.gz VHWAGOSXURYJEY-UHFFFAOYSA-N 0 0 430.468 2.727 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2ccccc2C)[C@@](C)(C(=O)NC2CCCCCC2)C1 ZINC000020928342 521660100 /nfs/dbraw/zinc/66/01/00/521660100.db2.gz OREOIQSQCJRCRZ-JOCHJYFZSA-N 0 0 435.590 2.591 50 0 IFAARN CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2SCc2cscn2)CC1 ZINC000012893174 521662622 /nfs/dbraw/zinc/66/26/22/521662622.db2.gz QRVHSZTVHQDOJS-UHFFFAOYSA-N 0 0 425.601 2.979 50 0 IFAARN CCS(=O)(=O)c1ccccc1C(=O)NCC(=O)Nc1ccccc1Br ZINC000012685634 521693129 /nfs/dbraw/zinc/69/31/29/521693129.db2.gz WWEONHWWDMYWQJ-UHFFFAOYSA-N 0 0 425.304 2.611 50 0 IFAARN CCOCCCNC(=O)[C@@H]1CCCN(C(=O)CCc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC000035510187 521714686 /nfs/dbraw/zinc/71/46/86/521714686.db2.gz IIWZDSHYVJVIST-GOSISDBHSA-N 0 0 435.565 2.522 50 0 IFAARN CCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000021657872 521730900 /nfs/dbraw/zinc/73/09/00/521730900.db2.gz RDVHEPUZVRBUMY-UHFFFAOYSA-N 0 0 433.511 2.714 50 0 IFAARN CCN1c2ccccc2[C@](CN2CCN(c3cccc(Cl)c3)CC2)(NC(C)=O)C1=O ZINC000020592197 521731238 /nfs/dbraw/zinc/73/12/38/521731238.db2.gz CAHXVOBDVBGBKK-QHCPKHFHSA-N 0 0 426.948 2.860 50 0 IFAARN CCNC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C(C)C)n3)sc2C)CC1 ZINC000035553990 521733719 /nfs/dbraw/zinc/73/37/19/521733719.db2.gz APRSHPLCKZLFQK-UHFFFAOYSA-N 0 0 426.564 2.767 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C ZINC000022772493 521749972 /nfs/dbraw/zinc/74/99/72/521749972.db2.gz MQWARUZKATWBIK-MRXNPFEDSA-N 0 0 427.501 2.536 50 0 IFAARN CCc1cccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)c1 ZINC000020583653 521750854 /nfs/dbraw/zinc/75/08/54/521750854.db2.gz OFHJPFWDPLACEC-UHFFFAOYSA-N 0 0 433.555 2.577 50 0 IFAARN CCc1cccc2c(C(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)c[nH]c21 ZINC000009789035 521788101 /nfs/dbraw/zinc/78/81/01/521788101.db2.gz HCJVIMMNGGGPTN-CYBMUJFWSA-N 0 0 432.571 2.811 50 0 IFAARN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1=O ZINC000012814894 521854313 /nfs/dbraw/zinc/85/43/13/521854313.db2.gz OXMFRBHMELASSQ-QGZVFWFLSA-N 0 0 429.542 2.799 50 0 IFAARN CC[C@@H](C(=O)Nc1cc(C)ccc1OC)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403278 521864907 /nfs/dbraw/zinc/86/49/07/521864907.db2.gz KQNDAVLXTXUQRF-IBGZPJMESA-N 0 0 427.476 2.731 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000012789447 521866622 /nfs/dbraw/zinc/86/66/22/521866622.db2.gz UWVSJIFGXJMCKR-HNNXBMFYSA-N 0 0 429.542 2.670 50 0 IFAARN CCc1ccccc1NC(=O)CN1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000022804764 521870547 /nfs/dbraw/zinc/87/05/47/521870547.db2.gz KWBABXXDEOQKGP-UHFFFAOYSA-N 0 0 428.964 2.775 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012523484 521898968 /nfs/dbraw/zinc/89/89/68/521898968.db2.gz JTCZNGAETAZLEQ-UHFFFAOYSA-N 0 0 445.863 2.775 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(Cl)c2C)cn1C ZINC000035375973 521907287 /nfs/dbraw/zinc/90/72/87/521907287.db2.gz LNZAYYJNNFLAOE-MRXNPFEDSA-N 0 0 439.921 2.565 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(c1ccccc1F)C2=O ZINC000021878248 521919532 /nfs/dbraw/zinc/91/95/32/521919532.db2.gz NHIBVUYPINYCMD-QFIPXVFZSA-N 0 0 428.464 2.677 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(CCc1cccs1)C2=O ZINC000021878330 521920191 /nfs/dbraw/zinc/92/01/91/521920191.db2.gz KEGAVAFZHQGYDL-QFIPXVFZSA-N 0 0 444.557 2.637 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCC(C)CC1)N(Cc1ccccc1)C2=O ZINC000021878358 521920319 /nfs/dbraw/zinc/92/03/19/521920319.db2.gz SDGMZWBHQMHXOI-QEAWBRDWSA-N 0 0 438.528 2.779 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(c1cccc(F)c1)C2=O ZINC000021878250 521922463 /nfs/dbraw/zinc/92/24/63/521922463.db2.gz RKLZPSNELVAMEY-JOCHJYFZSA-N 0 0 428.464 2.677 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCOC ZINC000012888563 521969306 /nfs/dbraw/zinc/96/93/06/521969306.db2.gz OMMMDYIFLSTSLG-SVJMLJPDSA-N 0 0 447.601 2.719 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCOC ZINC000012888551 521969772 /nfs/dbraw/zinc/96/97/72/521969772.db2.gz OMMMDYIFLSTSLG-FDFFUELDSA-N 0 0 447.601 2.719 50 0 IFAARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CCC3)ccc1Br ZINC000015636841 521970605 /nfs/dbraw/zinc/97/06/05/521970605.db2.gz RPRHYPJJYXQQEW-UHFFFAOYSA-N 0 0 430.349 2.897 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(Cc3ccccc3)CC2)c1 ZINC000020481920 521982461 /nfs/dbraw/zinc/98/24/61/521982461.db2.gz HNIASLQSYZLBTQ-UHFFFAOYSA-N 0 0 427.526 2.774 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(OCCSc2nnc(N3CCCC3)n2C2CC2)cc1 ZINC000021694498 521988214 /nfs/dbraw/zinc/98/82/14/521988214.db2.gz STIVCZHQHCIRBC-UHFFFAOYSA-N 0 0 437.591 2.635 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000012909999 521991699 /nfs/dbraw/zinc/99/16/99/521991699.db2.gz VWZRUGZDYUNHSJ-UHFFFAOYSA-N 0 0 434.461 2.707 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(COC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000012866032 521996462 /nfs/dbraw/zinc/99/64/62/521996462.db2.gz ZSUJUWJIAXIDTJ-UHFFFAOYSA-N 0 0 448.585 2.703 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000012784250 521996770 /nfs/dbraw/zinc/99/67/70/521996770.db2.gz BIXCZJRAOPICOT-UHFFFAOYSA-N 0 0 449.532 2.877 50 0 IFAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1ccccc1N1CCCCC1 ZINC000021360597 522000843 /nfs/dbraw/zinc/00/08/43/522000843.db2.gz YAOUVPHCFWODPU-UHFFFAOYSA-N 0 0 430.574 2.656 50 0 IFAARN COc1cc(/C=c2\sc3nc(-c4ccc(Cl)cc4)nn3c2=O)ccc1OC(C)=O ZINC000033162003 522013418 /nfs/dbraw/zinc/01/34/18/522013418.db2.gz VDUHIFBZCREFEB-YVLHZVERSA-N 0 0 427.869 2.953 50 0 IFAARN COC(=O)c1ccc(CNC(=O)CC[C@@]2(Cc3ccc(F)c(OC)c3)CCC(=O)N2)cc1 ZINC000012185004 522021625 /nfs/dbraw/zinc/02/16/25/522021625.db2.gz OHYZCUJUIVUBCR-DEOSSOPVSA-N 0 0 442.487 2.909 50 0 IFAARN COCCn1c(CN(C(=O)C2CC2)C(C)C)cnc1S(=O)(=O)Cc1cccc(OC)c1 ZINC000036030408 522065630 /nfs/dbraw/zinc/06/56/30/522065630.db2.gz LAJAOUFWKQEYSW-UHFFFAOYSA-N 0 0 449.573 2.659 50 0 IFAARN COCCn1c(CN(CC2CC2)C(=O)C2CC2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030351 522067144 /nfs/dbraw/zinc/06/71/44/522067144.db2.gz FATMQYWQPHYJGV-UHFFFAOYSA-N 0 0 431.558 2.652 50 0 IFAARN COCCn1c(CN(C(=O)c2ccco2)C2CC2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030310 522068197 /nfs/dbraw/zinc/06/81/97/522068197.db2.gz KQUNSCQMEMYBOO-UHFFFAOYSA-N 0 0 443.525 2.901 50 0 IFAARN COCCn1c(CN2CCN(C)C[C@@H]2C(C)C)cnc1S(=O)(=O)CC1CCCCC1 ZINC000020513375 522068610 /nfs/dbraw/zinc/06/86/10/522068610.db2.gz GQXOEGVNWSZLES-OAQYLSRUSA-N 0 0 440.654 2.656 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)cc1 ZINC000012237809 522099354 /nfs/dbraw/zinc/09/93/54/522099354.db2.gz SDZRQMVLHRXCRF-UHFFFAOYSA-N 0 0 431.452 2.624 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(C)cc4C)c3c2=O)cc1 ZINC000012228692 522102409 /nfs/dbraw/zinc/10/24/09/522102409.db2.gz JOTXGTNYSNMVJC-UHFFFAOYSA-N 0 0 445.479 2.933 50 0 IFAARN COc1cc(C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)cc(OC)c1OC ZINC000006181177 522108363 /nfs/dbraw/zinc/10/83/63/522108363.db2.gz WTDUYFHEWXUGGC-MFOYZWKCSA-N 0 0 443.481 2.574 50 0 IFAARN COC(=O)c1ccc(OC)c(CN2CCN(Cc3ccc(F)cc3Cl)S2(=O)=O)c1 ZINC000021531283 522139193 /nfs/dbraw/zinc/13/91/93/522139193.db2.gz XSUOXFPGQJFARA-UHFFFAOYSA-N 0 0 442.896 2.837 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)N4CCCC4)CC3)c(C)s2)no1 ZINC000035553844 522143128 /nfs/dbraw/zinc/14/31/28/522143128.db2.gz AHSRQHCEFNMPGV-UHFFFAOYSA-N 0 0 438.575 2.692 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000012738483 522151831 /nfs/dbraw/zinc/15/18/31/522151831.db2.gz OUXCBNMBLSFLLF-UHFFFAOYSA-N 0 0 438.505 2.773 50 0 IFAARN COC(=O)c1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000016393420 522174407 /nfs/dbraw/zinc/17/44/07/522174407.db2.gz YDVITOUPWJTMHD-LJQANCHMSA-N 0 0 441.509 2.922 50 0 IFAARN CC[C@H](CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000035334032 522185714 /nfs/dbraw/zinc/18/57/14/522185714.db2.gz PSHSNVYKFLYUOI-RBUKOAKNSA-N 0 0 447.576 2.831 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(S[C@@H](C)c1nc(C)no1)n(C[C@H]1CCCO1)c2=O ZINC000012821164 522186317 /nfs/dbraw/zinc/18/63/17/522186317.db2.gz STKRGEKADTWOBE-SMDDNHRTSA-N 0 0 430.486 2.907 50 0 IFAARN COC(=O)c1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 ZINC000040131917 522193836 /nfs/dbraw/zinc/19/38/36/522193836.db2.gz IDQWCEUPRVSAEE-UHFFFAOYSA-N 0 0 428.510 2.851 50 0 IFAARN CN(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000001066459 522223482 /nfs/dbraw/zinc/22/34/82/522223482.db2.gz QKVNRCYCPRFZBA-UHFFFAOYSA-N 0 0 426.336 2.774 50 0 IFAARN CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012876006 522274227 /nfs/dbraw/zinc/27/42/27/522274227.db2.gz HVSLZHXHMOIFPG-NJGYHNCTSA-N 0 0 428.510 2.743 50 0 IFAARN COc1cc(C)ccc1OCC(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000022127691 522278268 /nfs/dbraw/zinc/27/82/68/522278268.db2.gz DFQRKUXEHGSZJP-UHFFFAOYSA-N 0 0 441.889 2.621 50 0 IFAARN COC(=O)c1ccccc1NC(=O)NCc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000035511972 522280258 /nfs/dbraw/zinc/28/02/58/522280258.db2.gz SIRHXWFFYABMPJ-UHFFFAOYSA-N 0 0 441.469 2.907 50 0 IFAARN CN(C)c1nc(N2CCOCC2)nc2c1CN(C(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000034676946 522329884 /nfs/dbraw/zinc/32/98/84/522329884.db2.gz MUTXXWVQCUJXSK-UHFFFAOYSA-N 0 0 435.450 2.597 50 0 IFAARN COc1cc(CCNC(=O)CSc2nnc(C(F)(F)F)n2C)ccc1OC(F)F ZINC000012915768 522330675 /nfs/dbraw/zinc/33/06/75/522330675.db2.gz ODZSBTWYGMJHNA-UHFFFAOYSA-N 0 0 440.394 2.895 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1OC)C(=O)OC ZINC000020761849 522374909 /nfs/dbraw/zinc/37/49/09/522374909.db2.gz IMHMHQBFJNVXRB-FMEYXAORSA-N 0 0 430.505 2.672 50 0 IFAARN COc1cc(CN2CCC[C@H](n3cc(C(=O)NCC(C)C)nn3)C2)cc(OC)c1OC ZINC000012283375 522379107 /nfs/dbraw/zinc/37/91/07/522379107.db2.gz GFGDJUCWJOZIFX-KRWDZBQOSA-N 0 0 431.537 2.527 50 0 IFAARN COc1cc(CN2CCN(Cc3ccc(NC(C)=O)cc3)C[C@H]2CCO)cc(OC)c1 ZINC000022909931 522382537 /nfs/dbraw/zinc/38/25/37/522382537.db2.gz SKEOLJINUMEKPM-JOCHJYFZSA-N 0 0 427.545 2.731 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1)[C@@](C)(C(=O)NC1CCCCCC1)C2 ZINC000021873132 522393857 /nfs/dbraw/zinc/39/38/57/522393857.db2.gz OCMBXSQCDAGQDA-XMMPIXPASA-N 0 0 438.528 2.923 50 0 IFAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015388588 522517827 /nfs/dbraw/zinc/51/78/27/522517827.db2.gz OQICYXSUSCIHGZ-UHFFFAOYSA-N 0 0 449.960 2.838 50 0 IFAARN COc1cc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(C)cc3)no2)cc(OC)c1 ZINC000033062810 522655540 /nfs/dbraw/zinc/65/55/40/522655540.db2.gz XHTLAGXBXOEVSA-UHFFFAOYSA-N 0 0 445.497 2.940 50 0 IFAARN CNc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012521702 522658090 /nfs/dbraw/zinc/65/80/90/522658090.db2.gz QQOCDMLGUJTXQU-OAHLLOKOSA-N 0 0 431.514 2.697 50 0 IFAARN COc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)cc(OC)c1OC ZINC000021657323 522714523 /nfs/dbraw/zinc/71/45/23/522714523.db2.gz ZKUGZHPCFUCYKG-AWEZNQCLSA-N 0 0 427.457 2.662 50 0 IFAARN COCC(=O)N1C[C@@H](C(=O)NCc2ccccc2)C[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC000034709346 522752496 /nfs/dbraw/zinc/75/24/96/522752496.db2.gz DYSSTWZAVRQXJD-UXHICEINSA-N 0 0 426.513 2.599 50 0 IFAARN COc1cc(OC)c(C2=CCN(CC(=O)Nc3ccc(C(N)=O)cc3)CC2)c(OC)c1 ZINC000012768122 522789442 /nfs/dbraw/zinc/78/94/42/522789442.db2.gz KQURBDZIXQRCKT-UHFFFAOYSA-N 0 0 425.485 2.539 50 0 IFAARN COc1cc(OC)c(NC(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1Cl ZINC000035597332 522804479 /nfs/dbraw/zinc/80/44/79/522804479.db2.gz LEKYOUQVIBTEFO-UHFFFAOYSA-N 0 0 443.895 2.687 50 0 IFAARN COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccccc2)c1 ZINC000035847654 522839115 /nfs/dbraw/zinc/83/91/15/522839115.db2.gz VDWWTEAXROCQFZ-UHFFFAOYSA-N 0 0 440.525 2.902 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000012812720 522846353 /nfs/dbraw/zinc/84/63/53/522846353.db2.gz RBVGFUAQEJLMRZ-UHFFFAOYSA-N 0 0 444.553 2.729 50 0 IFAARN COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000012741237 522869088 /nfs/dbraw/zinc/86/90/88/522869088.db2.gz OCSXYIGPZHQTBF-XHDPSFHLSA-N 0 0 433.313 2.694 50 0 IFAARN COC(=O)C1=C(CSc2nc(C)cc(N)n2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 ZINC000012822519 522890752 /nfs/dbraw/zinc/89/07/52/522890752.db2.gz HFJYQXZPTCTGMK-SFHVURJKSA-N 0 0 425.514 2.815 50 0 IFAARN COc1cc([C@@H]2CN(C(=S)NC(C)C)C[C@H]2C(=O)NCC(C)C)cc(OC)c1OC ZINC000036044688 522925992 /nfs/dbraw/zinc/92/59/92/522925992.db2.gz PAMMKIMCUCCHJM-DLBZAZTESA-N 0 0 437.606 2.783 50 0 IFAARN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 ZINC000012307557 522959264 /nfs/dbraw/zinc/95/92/64/522959264.db2.gz BNMNEGJFRBIYKI-FQEVSTJZSA-N 0 0 428.577 2.504 50 0 IFAARN COc1cc([C@H]2CN(C(=O)c3ccco3)C[C@@H]2C(=O)NCC(C)C)cc(OC)c1OC ZINC000036043951 522962482 /nfs/dbraw/zinc/96/24/82/522962482.db2.gz KOEAVEMFEFMSAY-SJORKVTESA-N 0 0 430.501 2.933 50 0 IFAARN CN(CCc1cn[nH]c1)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O ZINC000012128835 522982108 /nfs/dbraw/zinc/98/21/08/522982108.db2.gz LBBVALMTHRPNMO-VWLOTQADSA-N 0 0 430.508 2.794 50 0 IFAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCC(C(N)=O)CC3)nn1-c1ccccc1)C2 ZINC000020720894 523021147 /nfs/dbraw/zinc/02/11/47/523021147.db2.gz WBQHAQZZHUXFBT-UHFFFAOYSA-N 0 0 446.507 2.798 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CN(C)CC(=O)Nc1ccccc1Cl)CC2 ZINC000012743961 523027623 /nfs/dbraw/zinc/02/76/23/523027623.db2.gz FBAPMRHBGKRQEY-UHFFFAOYSA-N 0 0 431.920 2.812 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C)CC2 ZINC000012895888 523029586 /nfs/dbraw/zinc/02/95/86/523029586.db2.gz TUQSJEHZABDRHO-FQEVSTJZSA-N 0 0 425.529 2.907 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)c1nnn(-c3ccc(Br)cc3)n1)CC2 ZINC000077100483 523030156 /nfs/dbraw/zinc/03/01/56/523030156.db2.gz IXBJAHVYYLFGMV-UHFFFAOYSA-N 0 0 444.289 2.641 50 0 IFAARN COc1cc2nc(-c3ccccc3)nc(N3CCN(CC(=O)NC4CC4)CC3)c2cc1OC ZINC000012847291 523060664 /nfs/dbraw/zinc/06/06/64/523060664.db2.gz ABMBXODNOPFATD-UHFFFAOYSA-N 0 0 447.539 2.715 50 0 IFAARN COc1cc2nc(CN3CCN(Cc4cccc(Cl)c4)CC3)[nH]c(=O)c2cc1OC ZINC000022912658 523064379 /nfs/dbraw/zinc/06/43/79/523064379.db2.gz WYHBKTWCRZJANQ-UHFFFAOYSA-N 0 0 428.920 2.912 50 0 IFAARN CCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C ZINC000012231446 523091648 /nfs/dbraw/zinc/09/16/48/523091648.db2.gz CYYHNAZWVAYVRM-UHFFFAOYSA-N 0 0 430.871 2.560 50 0 IFAARN COc1ccc(-c2cc(CN3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)on2)cc1 ZINC000012857874 523109429 /nfs/dbraw/zinc/10/94/29/523109429.db2.gz YAUCUUMSHJDLRZ-UHFFFAOYSA-N 0 0 443.525 2.865 50 0 IFAARN COC(=O)CN1c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C(C)(C)C1=O ZINC000021112926 523186060 /nfs/dbraw/zinc/18/60/60/523186060.db2.gz YJFZNRQAAFZRAJ-UHFFFAOYSA-N 0 0 428.510 2.625 50 0 IFAARN COc1ccc(-c2nc(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(C)o2)c(C)c1C ZINC000020455533 523204337 /nfs/dbraw/zinc/20/43/37/523204337.db2.gz QGUKYONIJVLSIT-GOSISDBHSA-N 0 0 433.574 2.580 50 0 IFAARN COCc1nc2c(cnn2-c2ccc(OC)cc2)c(N2CCN(C(=O)CC(C)C)CC2)n1 ZINC000035990357 523215702 /nfs/dbraw/zinc/21/57/02/523215702.db2.gz ZXSQOOYMHHULTE-UHFFFAOYSA-N 0 0 438.532 2.665 50 0 IFAARN CCn1c(SCC(=O)N(C)c2ccccc2)nc(=O)c2c(C(=O)OC)cc(C)nc21 ZINC000021156561 523219806 /nfs/dbraw/zinc/21/98/06/523219806.db2.gz TUGSWXGOLVMBJV-UHFFFAOYSA-N 0 0 426.498 2.662 50 0 IFAARN COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCN(C(C)=O)CC3)o2)cc1 ZINC000012419782 523223868 /nfs/dbraw/zinc/22/38/68/523223868.db2.gz ZNKAFQSHDBLKPQ-UHFFFAOYSA-N 0 0 441.509 2.852 50 0 IFAARN COc1ccc(-c2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)[nH]2)cc1OC ZINC000035066939 523226802 /nfs/dbraw/zinc/22/68/02/523226802.db2.gz BVVGOCIUYNJQLY-UHFFFAOYSA-N 0 0 426.454 2.609 50 0 IFAARN CCn1c(SCC(=O)OCC(=O)NC(=O)c2ccccc2)nnc1-c1cccs1 ZINC000012686335 523232910 /nfs/dbraw/zinc/23/29/10/523232910.db2.gz AQOVSQQAPUHGSF-UHFFFAOYSA-N 0 0 430.511 2.618 50 0 IFAARN COc1ccc(-c2nn(CCCC(=O)NCc3ccccn3)c(=O)c3noc(C)c32)cc1 ZINC000021884044 523246646 /nfs/dbraw/zinc/24/66/46/523246646.db2.gz GYVFOJXDZIWHKJ-UHFFFAOYSA-N 0 0 433.468 2.860 50 0 IFAARN CCn1c2c(nc(CCC(=O)NCc3cccnc3)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000021641043 523255322 /nfs/dbraw/zinc/25/53/22/523255322.db2.gz ZXOUNDSYSGIEAM-UHFFFAOYSA-N 0 0 430.512 2.863 50 0 IFAARN COCCCN([C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C)S(=O)(=O)c1ccccc1 ZINC000036004482 523269033 /nfs/dbraw/zinc/26/90/33/523269033.db2.gz GRDZTACJJCPZRZ-MRXNPFEDSA-N 0 0 436.530 2.717 50 0 IFAARN COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)c1ccc(OC)c(OC)c1 ZINC000022190557 523275524 /nfs/dbraw/zinc/27/55/24/523275524.db2.gz PIYWBVMHPRGSTJ-PKOBYXMFSA-N 0 0 440.496 2.786 50 0 IFAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012851631 523276634 /nfs/dbraw/zinc/27/66/34/523276634.db2.gz YXDDEOHJEHJXQW-UHFFFAOYSA-N 0 0 448.516 2.656 50 0 IFAARN COc1ccc(-c2noc(C(=O)NCc3ccc(CN4CCOCC4)cc3)n2)cc1OC ZINC000012371366 523281511 /nfs/dbraw/zinc/28/15/11/523281511.db2.gz GJLKVKSFIMSTCJ-UHFFFAOYSA-N 0 0 438.484 2.516 50 0 IFAARN CCn1c2ccccc2nc(N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)c1=O ZINC000022583453 523282649 /nfs/dbraw/zinc/28/26/49/523282649.db2.gz FPYLRBAEIKFMHR-UHFFFAOYSA-N 0 0 434.496 2.678 50 0 IFAARN COc1ccc(-n2c3nc(-c4cccc(Br)c4)nc(C(N)=O)c3[nH]c2=O)cc1 ZINC000012080838 523324545 /nfs/dbraw/zinc/32/45/45/523324545.db2.gz PWRUMCUGMJXBTA-UHFFFAOYSA-N 0 0 440.257 2.646 50 0 IFAARN COCCCNC(=O)CN1c2ccccc2S(=O)(=O)N(c2cccc(Cl)c2)C1=O ZINC000021661319 523326060 /nfs/dbraw/zinc/32/60/60/523326060.db2.gz JFPJRWKIWNBCJP-UHFFFAOYSA-N 0 0 437.905 2.628 50 0 IFAARN COc1ccc(-n2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2-n2cccc2)cc1 ZINC000022569568 523349516 /nfs/dbraw/zinc/34/95/16/523349516.db2.gz ACVXHMWJCIPFSC-UHFFFAOYSA-N 0 0 445.479 2.863 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1c1ccc(OC)cc1OC ZINC000036060108 523351736 /nfs/dbraw/zinc/35/17/36/523351736.db2.gz POZAYHLSMVIWTJ-WOJBJXKFSA-N 0 0 444.503 2.851 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1ccc(OC)cc1OC ZINC000036060110 523351800 /nfs/dbraw/zinc/35/18/00/523351800.db2.gz POZAYHLSMVIWTJ-VQTJNVASSA-N 0 0 444.503 2.851 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1ccc(OC)cc1OC ZINC000036060098 523352135 /nfs/dbraw/zinc/35/21/35/523352135.db2.gz MFULKJMHCOVFII-LEWJYISDSA-N 0 0 426.513 2.712 50 0 IFAARN COc1ccc(/C=C(\C(=O)N(CCO)Cc2ccccc2)n2ccccc2=O)cc1OC ZINC000012468632 523380282 /nfs/dbraw/zinc/38/02/82/523380282.db2.gz DQJXEADCWDXDGE-LTGZKZEYSA-N 0 0 434.492 2.885 50 0 IFAARN COC(=O)Cn1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000012752062 523389090 /nfs/dbraw/zinc/38/90/90/523389090.db2.gz AEMYORWDUJLVDP-NSHDSACASA-N 0 0 433.436 2.967 50 0 IFAARN COc1ccc(/C=C\C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000033470274 523429569 /nfs/dbraw/zinc/42/95/69/523429569.db2.gz LXJGMPTWXHCYIF-YVMONPNESA-N 0 0 434.489 2.816 50 0 IFAARN CN(Cc1cnccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000012588072 523501354 /nfs/dbraw/zinc/50/13/54/523501354.db2.gz YYYWLZNKBPKZJQ-HSZRJFAPSA-N 0 0 445.523 2.618 50 0 IFAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)c(I)c2)C1=O ZINC000009263036 523529652 /nfs/dbraw/zinc/52/96/52/523529652.db2.gz IPBRFHRVUSGQLF-PKTIUJEHSA-N 0 0 433.223 2.595 50 0 IFAARN CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000011873228 523549022 /nfs/dbraw/zinc/54/90/22/523549022.db2.gz CHBLDAAMDQWDOR-FQEVSTJZSA-N 0 0 433.512 2.961 50 0 IFAARN CO[C@@H]1CCCN(C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)C1 ZINC000012150533 523585707 /nfs/dbraw/zinc/58/57/07/523585707.db2.gz CKQWAJMSWBLIBI-DYESRHJHSA-N 0 0 438.446 2.892 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3cccc(C)c3C)c(C)cc2NC1=O ZINC000035453053 523605048 /nfs/dbraw/zinc/60/50/48/523605048.db2.gz IDVPGKHVPAWKNX-SFHVURJKSA-N 0 0 445.541 2.981 50 0 IFAARN COc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1OC1CCN(C(C)=O)CC1 ZINC000012480322 523612662 /nfs/dbraw/zinc/61/26/62/523612662.db2.gz OJLVOTUHCXRKDL-UHFFFAOYSA-N 0 0 426.513 2.720 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N(C)C ZINC000012789522 523644316 /nfs/dbraw/zinc/64/43/16/523644316.db2.gz PUPGVDNBZGRNTP-KRWDZBQOSA-N 0 0 446.525 2.694 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1)C(C)=O ZINC000035960393 523651643 /nfs/dbraw/zinc/65/16/43/523651643.db2.gz IGVGVNCVCPYUKI-QHCPKHFHSA-N 0 0 439.512 2.876 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)cc1)C(=O)COC ZINC000035946673 523652370 /nfs/dbraw/zinc/65/23/70/523652370.db2.gz YMUVKBYZNDJWPK-LJQANCHMSA-N 0 0 445.541 2.556 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCO2)C(C)=O ZINC000035948675 523653461 /nfs/dbraw/zinc/65/34/61/523653461.db2.gz YFOIQHIYBAROGX-QGZVFWFLSA-N 0 0 429.498 2.649 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1sccc1C)C(=O)COC ZINC000035948550 523655652 /nfs/dbraw/zinc/65/56/52/523655652.db2.gz PJFBROGCSOLHLL-MRXNPFEDSA-N 0 0 435.571 2.917 50 0 IFAARN CC[S@](=O)c1ccccc1C(=O)OCc1nc(N)nc(Nc2ccccc2OC)n1 ZINC000021740680 523656021 /nfs/dbraw/zinc/65/60/21/523656021.db2.gz VLKOAKPASNUWON-SSEXGKCCSA-N 0 0 427.486 2.691 50 0 IFAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1C ZINC000035426163 523657952 /nfs/dbraw/zinc/65/79/52/523657952.db2.gz JJNCQJUGLVYDTA-UHFFFAOYSA-N 0 0 449.964 2.801 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1ccccc1Cl ZINC000035374202 523670536 /nfs/dbraw/zinc/67/05/36/523670536.db2.gz JQEJDJMEUFMQJV-UHFFFAOYSA-N 0 0 441.875 2.621 50 0 IFAARN COC(=O)[C@@H]1CCCCN1C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccccc2)c1=O ZINC000012572664 523674749 /nfs/dbraw/zinc/67/47/49/523674749.db2.gz BBGVCWGGFPFAAC-FQEVSTJZSA-N 0 0 439.512 2.527 50 0 IFAARN COc1ccc(C(=O)NCC(C)(C)CO)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000089761784 523688726 /nfs/dbraw/zinc/68/87/26/523688726.db2.gz BSCUTUJOHLRVDK-UHFFFAOYSA-N 0 0 440.949 2.575 50 0 IFAARN COCCN(CCC(=O)NCCc1ccccn1)C(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000036002284 523690559 /nfs/dbraw/zinc/69/05/59/523690559.db2.gz CGECAPPEXHHPNA-UHFFFAOYSA-N 0 0 436.512 2.883 50 0 IFAARN CN1C(=O)N(CC(=O)Nc2ccc(I)cc2)C(=O)C12CCCCC2 ZINC000012773556 523715912 /nfs/dbraw/zinc/71/59/12/523715912.db2.gz JDTVTJSUXRACOF-UHFFFAOYSA-N 0 0 441.269 2.827 50 0 IFAARN COc1ccc(C(=O)NCc2ccccc2Cl)cc1CN1CC(=O)N2CCC[C@@H]2C1=O ZINC000021527321 523716009 /nfs/dbraw/zinc/71/60/09/523716009.db2.gz GSYMLBIMAPFLIM-LJQANCHMSA-N 0 0 441.915 2.612 50 0 IFAARN CN1C(=O)c2cc(C(=O)N3CCCCCC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000015723751 523727717 /nfs/dbraw/zinc/72/77/17/523727717.db2.gz YMZUFJBGDWOZPS-HSZRJFAPSA-N 0 0 429.565 2.583 50 0 IFAARN CN1C(=O)c2cc(C(=O)NCCC3=CCCCC3)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021874943 523728563 /nfs/dbraw/zinc/72/85/63/523728563.db2.gz ZNNNRIPPQMFWKP-XMMPIXPASA-N 0 0 441.576 2.797 50 0 IFAARN CN1C(=O)c2cc(C(=O)Nc3cccc(F)c3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021875301 523730790 /nfs/dbraw/zinc/73/07/90/523730790.db2.gz ZFZVHIPUGCHJCZ-HSZRJFAPSA-N 0 0 441.507 2.958 50 0 IFAARN COc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1S(=O)(=O)N1CCOCC1 ZINC000012886545 523743347 /nfs/dbraw/zinc/74/33/47/523743347.db2.gz SQMDAMGECQULSA-UHFFFAOYSA-N 0 0 448.541 2.972 50 0 IFAARN COc1ccc(C(=O)Nc2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1Br ZINC000033265645 523745295 /nfs/dbraw/zinc/74/52/95/523745295.db2.gz LOESYGTVYYKXMC-UHFFFAOYSA-N 0 0 432.274 2.569 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3ccccc3C)s2)cc1OC ZINC000020486701 523764856 /nfs/dbraw/zinc/76/48/56/523764856.db2.gz YRHXPFJFLSNMII-UHFFFAOYSA-N 0 0 448.526 2.941 50 0 IFAARN COc1ccc(C(=O)[C@H]2CCCN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)cc1OC ZINC000012372928 523777707 /nfs/dbraw/zinc/77/77/07/523777707.db2.gz RQOJEDBNLZXBSD-SFHVURJKSA-N 0 0 449.507 2.844 50 0 IFAARN COCCN1C(=O)N(c2cccc(C)c2)C(=O)[C@H]1CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000020353824 523803903 /nfs/dbraw/zinc/80/39/03/523803903.db2.gz QWRLNMKLABYTFF-LJQANCHMSA-N 0 0 439.468 2.594 50 0 IFAARN CN(C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000016051125 523830461 /nfs/dbraw/zinc/83/04/61/523830461.db2.gz IRFXUXQZFFIADH-AWEZNQCLSA-N 0 0 444.534 2.766 50 0 IFAARN COCCN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C)CC1 ZINC000014957983 523854308 /nfs/dbraw/zinc/85/43/08/523854308.db2.gz ICYSYVRJCCQICG-UHFFFAOYSA-N 0 0 446.555 2.531 50 0 IFAARN CCc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3[NH2+]CCc4c5cc(OC)ccc5[nH]c43)c2=O)cc1 ZINC000020610578 523866020 /nfs/dbraw/zinc/86/60/20/523866020.db2.gz SWBSFAZGZOBWPV-NRFANRHFSA-N 0 0 432.480 2.519 50 0 IFAARN COc1ccc(C2=C(C)C(=O)N(CC(=O)NCc3cccc(Cl)c3)S2(=O)=O)cc1 ZINC000035534586 523871837 /nfs/dbraw/zinc/87/18/37/523871837.db2.gz PTYCSGXJWKBDKW-UHFFFAOYSA-N 0 0 434.901 2.568 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)c1cc(Cl)ccc1OC1CCN(C(C)=O)CC1 ZINC000012715356 523901012 /nfs/dbraw/zinc/90/10/12/523901012.db2.gz VLVBTFIKDSBDAI-KRWDZBQOSA-N 0 0 442.965 2.754 50 0 IFAARN CC[C@H](C)N(C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000012516845 523906875 /nfs/dbraw/zinc/90/68/75/523906875.db2.gz SJMLUKAFCKMRIZ-HKUYNNGSSA-N 0 0 442.025 2.585 50 0 IFAARN COCCNC(=O)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1c1cccc(OC)c1OC ZINC000036054262 523912951 /nfs/dbraw/zinc/91/29/51/523912951.db2.gz WTBGMDUPDQOUPA-RTBURBONSA-N 0 0 446.931 2.976 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(SCc3cn4cc(Cl)ccc4n3)nc2)CC1 ZINC000012547291 523914978 /nfs/dbraw/zinc/91/49/78/523914978.db2.gz HJJYUAUMRBQSMN-UHFFFAOYSA-N 0 0 437.978 2.611 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(Cl)c(NC(=O)c3cc(F)cc(F)c3)c2)CC1 ZINC000012767558 523915226 /nfs/dbraw/zinc/91/52/26/523915226.db2.gz LBTLWZRBGIIGKN-UHFFFAOYSA-N 0 0 429.876 2.807 50 0 IFAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000036047882 523916398 /nfs/dbraw/zinc/91/63/98/523916398.db2.gz NKUBYPJAQAXWAD-UHFFFAOYSA-N 0 0 427.448 2.894 50 0 IFAARN COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1OC ZINC000013145855 523918915 /nfs/dbraw/zinc/91/89/15/523918915.db2.gz ZUYGXNDIIQHFBX-UHFFFAOYSA-N 0 0 446.569 2.786 50 0 IFAARN COc1ccc(CCN2C[C@H](C(=O)NCc3nncn3C3CCCCC3)CCC2=O)cc1 ZINC000023478514 523952373 /nfs/dbraw/zinc/95/23/73/523952373.db2.gz JKVIUZSZDWRCAW-LJQANCHMSA-N 0 0 439.560 2.889 50 0 IFAARN COc1ccc(CCNC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)cc1OC ZINC000002952015 523955151 /nfs/dbraw/zinc/95/51/51/523955151.db2.gz WJNWPENHFLYLLZ-UHFFFAOYSA-N 0 0 439.512 2.626 50 0 IFAARN COCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000022703897 523959171 /nfs/dbraw/zinc/95/91/71/523959171.db2.gz ARXJZSYVIYFCIB-FQEVSTJZSA-N 0 0 448.541 2.606 50 0 IFAARN COCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000012872414 523964758 /nfs/dbraw/zinc/96/47/58/523964758.db2.gz KPZTUCJRCCNJQA-SFHVURJKSA-N 0 0 442.512 2.921 50 0 IFAARN CCc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)CC2=O)cc1 ZINC000012860638 523965085 /nfs/dbraw/zinc/96/50/85/523965085.db2.gz OCYOANJQAUQUSY-REWPJTCUSA-N 0 0 439.531 2.931 50 0 IFAARN COc1ccc(CCNC(=O)c2cccn2-c2nnc(N3CCCC3)s2)cc1OC ZINC000020980738 523971508 /nfs/dbraw/zinc/97/15/08/523971508.db2.gz SEJJTICZETZKEG-UHFFFAOYSA-N 0 0 427.530 2.919 50 0 IFAARN CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC000020486986 523971958 /nfs/dbraw/zinc/97/19/58/523971958.db2.gz GBBWEIDIIQSZAF-UHFFFAOYSA-N 0 0 429.542 2.762 50 0 IFAARN CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)cc1 ZINC000035452562 523972077 /nfs/dbraw/zinc/97/20/77/523972077.db2.gz SLIZDDGHINNBAU-CQSZACIVSA-N 0 0 431.514 2.536 50 0 IFAARN CCc1ccc(NCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000012757961 523994947 /nfs/dbraw/zinc/99/49/47/523994947.db2.gz QJNHEAIBVKTFPQ-UHFFFAOYSA-N 0 0 437.949 2.974 50 0 IFAARN COc1ccc(CN(C)C(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)cc1OC ZINC000012885258 523995776 /nfs/dbraw/zinc/99/57/76/523995776.db2.gz JNEQINPLTHVYTB-UHFFFAOYSA-N 0 0 442.541 2.582 50 0 IFAARN COc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(OC)c1OC ZINC000012855544 524002726 /nfs/dbraw/zinc/00/27/26/524002726.db2.gz RRRPIDVLZNRQOP-OAHLLOKOSA-N 0 0 427.501 2.908 50 0 IFAARN CN(C)C(=O)NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000012338543 524006658 /nfs/dbraw/zinc/00/66/58/524006658.db2.gz MUAZMWPTQLFYFD-UHFFFAOYSA-N 0 0 431.333 2.570 50 0 IFAARN CCc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 ZINC000021682740 524013501 /nfs/dbraw/zinc/01/35/01/524013501.db2.gz PYJVZXNVXIUDNN-UHFFFAOYSA-N 0 0 431.558 2.942 50 0 IFAARN COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000009218490 524015485 /nfs/dbraw/zinc/01/54/85/524015485.db2.gz DZSTVIVVIOJITG-LJQANCHMSA-N 0 0 435.567 2.562 50 0 IFAARN COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)CC2)cc1F ZINC000012891752 524030177 /nfs/dbraw/zinc/03/01/77/524030177.db2.gz ZUHRVFMWMHWQSU-UHFFFAOYSA-N 0 0 433.911 2.952 50 0 IFAARN COc1ccc(CN2CCN(C(=O)[C@H]3CCCN3C(=O)c3cccs3)CC2)cc1F ZINC000012751693 524031003 /nfs/dbraw/zinc/03/10/03/524031003.db2.gz CSHOEEHXJJULST-GOSISDBHSA-N 0 0 431.533 2.845 50 0 IFAARN COc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CC2)cc1F ZINC000012751689 524031013 /nfs/dbraw/zinc/03/10/13/524031013.db2.gz CSHOEEHXJJULST-SFHVURJKSA-N 0 0 431.533 2.845 50 0 IFAARN COc1ccc(CN2CCN(Cc3cnc(N4CCCC4)s3)C[C@@H]2CCO)c(F)c1 ZINC000020541126 524032684 /nfs/dbraw/zinc/03/26/84/524032684.db2.gz RIKMDOISFCLXKS-SFHVURJKSA-N 0 0 434.581 2.960 50 0 IFAARN CN1c2ccc(S(=O)(=O)NCc3ccc(C(=O)N4CCCC4)cc3)cc2C(C)(C)C1=O ZINC000020530248 524033067 /nfs/dbraw/zinc/03/30/67/524033067.db2.gz XJWOSHRUJQJDHC-UHFFFAOYSA-N 0 0 441.553 2.655 50 0 IFAARN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012913951 524046348 /nfs/dbraw/zinc/04/63/48/524046348.db2.gz NWDZEHKYHFUVAK-UHFFFAOYSA-N 0 0 428.554 2.901 50 0 IFAARN COc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1 ZINC000032973945 524047662 /nfs/dbraw/zinc/04/76/62/524047662.db2.gz OGMNFXZYXRQWMU-UHFFFAOYSA-N 0 0 432.542 2.811 50 0 IFAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)c(OC)c1 ZINC000012319760 524047752 /nfs/dbraw/zinc/04/77/52/524047752.db2.gz ULLIKXGILVOMHZ-SFHVURJKSA-N 0 0 425.529 2.977 50 0 IFAARN COc1ccc(CNC(=O)CCn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 ZINC000020563511 524048773 /nfs/dbraw/zinc/04/87/73/524048773.db2.gz DTTZVNGUTMZDMU-UHFFFAOYSA-N 0 0 431.496 2.914 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)c2cc3c(cc(OC)cc3OC)n2C)cc1 ZINC000020744993 524064046 /nfs/dbraw/zinc/06/40/46/524064046.db2.gz FZPKXZDWACNADS-AWEZNQCLSA-N 0 0 425.485 2.639 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)c3ccc(F)cc3)C2)cc1 ZINC000020511602 524064321 /nfs/dbraw/zinc/06/43/21/524064321.db2.gz FJZSLHHQCBMFDR-KRWDZBQOSA-N 0 0 435.521 2.544 50 0 IFAARN C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(CCNS(C)(=O)=O)cc3)n2)C1 ZINC000012796256 524098262 /nfs/dbraw/zinc/09/82/62/524098262.db2.gz NGALSJGOZODSLM-HNNXBMFYSA-N 0 0 436.603 2.719 50 0 IFAARN COc1cccc([C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)c2nccn2C)c1 ZINC000021901020 524100498 /nfs/dbraw/zinc/10/04/98/524100498.db2.gz LMMHOVHRMGAOQZ-HXUWFJFHSA-N 0 0 429.498 2.658 50 0 IFAARN C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000022915510 524106453 /nfs/dbraw/zinc/10/64/53/524106453.db2.gz BULUQSAMOXKEFY-AWEZNQCLSA-N 0 0 446.901 2.926 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)c3nc(CS(=O)(=O)c4ccccc4)no3)CC2)c1 ZINC000015786756 524126316 /nfs/dbraw/zinc/12/63/16/524126316.db2.gz RHTBFMCDZSUBME-UHFFFAOYSA-N 0 0 440.525 2.623 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022780828 524137935 /nfs/dbraw/zinc/13/79/35/524137935.db2.gz NDJSQJYOFFRUPK-SJORKVTESA-N 0 0 429.590 2.818 50 0 IFAARN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1 ZINC000033021169 524154219 /nfs/dbraw/zinc/15/42/19/524154219.db2.gz DQGSGDRUHXXVML-MRXNPFEDSA-N 0 0 443.525 2.674 50 0 IFAARN COc1cccc([C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)c2nccn2C)c1 ZINC000021901023 524162824 /nfs/dbraw/zinc/16/28/24/524162824.db2.gz LMMHOVHRMGAOQZ-FQEVSTJZSA-N 0 0 429.498 2.658 50 0 IFAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n(N)c2=O)cc1 ZINC000012348041 524168125 /nfs/dbraw/zinc/16/81/25/524168125.db2.gz IYQOFYBZGMQZEV-UHFFFAOYSA-N 0 0 445.932 2.644 50 0 IFAARN COc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)c3cc(C)nn3C)nc21 ZINC000022768237 524188045 /nfs/dbraw/zinc/18/80/45/524188045.db2.gz ZFVIOIXJEZMRPI-UHFFFAOYSA-N 0 0 449.964 2.979 50 0 IFAARN COc1cccc([C@H]2[C@H](C(=O)NCCN3CCOCC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928032 524188791 /nfs/dbraw/zinc/18/87/91/524188791.db2.gz HYBUNYVQQNBUCV-RPWUZVMVSA-N 0 0 449.551 2.587 50 0 IFAARN COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 ZINC000008917060 524191114 /nfs/dbraw/zinc/19/11/14/524191114.db2.gz WXKXXMIFOMGKMB-LIRRHRJNSA-N 0 0 425.462 2.534 50 0 IFAARN Cc1cc(C(=O)OCC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c(C)n1C1CC1 ZINC000016695212 524197235 /nfs/dbraw/zinc/19/72/35/524197235.db2.gz FHZVWOGBGKWFCT-LJQANCHMSA-N 0 0 428.510 2.941 50 0 IFAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000012798719 524202026 /nfs/dbraw/zinc/20/20/26/524202026.db2.gz KMOISINDQYNORW-UHFFFAOYSA-N 0 0 431.558 2.848 50 0 IFAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)/C=C/c2cnn(C)c2)CC1 ZINC000012766265 524202065 /nfs/dbraw/zinc/20/20/65/524202065.db2.gz FDWHSYIHYFESEX-BQYQJAHWSA-N 0 0 444.601 2.881 50 0 IFAARN C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)C1 ZINC000012870632 524210819 /nfs/dbraw/zinc/21/08/19/524210819.db2.gz MZNQXQXJESRYON-QAPCUYQASA-N 0 0 428.558 2.981 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(CCC(N)=O)n1Cc1ccco1 ZINC000012822101 524229450 /nfs/dbraw/zinc/22/94/50/524229450.db2.gz XBSJZSYYWDNUEJ-UHFFFAOYSA-N 0 0 449.920 2.730 50 0 IFAARN Cc1cc(C)c(NC(=O)CN(C)CC(=O)N2CCN(Cc3ccccc3F)CC2)c(C)c1 ZINC000012799834 524282401 /nfs/dbraw/zinc/28/24/01/524282401.db2.gz WRIPWJRGYUWIGA-UHFFFAOYSA-N 0 0 440.563 2.966 50 0 IFAARN Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1 ZINC000012781882 524287954 /nfs/dbraw/zinc/28/79/54/524287954.db2.gz VGUKZUGRZRLCNB-UHFFFAOYSA-N 0 0 429.542 2.765 50 0 IFAARN C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022798037 524289260 /nfs/dbraw/zinc/28/92/60/524289260.db2.gz NJNGIHHWTMRNDD-ZDUSSCGKSA-N 0 0 429.571 2.602 50 0 IFAARN COc1ccccc1-n1c(=O)n(CC(=O)N2CCCCCC2)c(=O)c2c(C)cc(C)nc21 ZINC000012446418 524298439 /nfs/dbraw/zinc/29/84/39/524298439.db2.gz APRFOUKZPXUOPZ-UHFFFAOYSA-N 0 0 436.512 2.575 50 0 IFAARN COc1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N1CCNC1=O ZINC000021135617 524298582 /nfs/dbraw/zinc/29/85/82/524298582.db2.gz QGUMEHMXVOTWPY-UHFFFAOYSA-N 0 0 444.900 2.692 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)c(C)c1 ZINC000035432585 524316089 /nfs/dbraw/zinc/31/60/89/524316089.db2.gz RANKRXYQOHYKMT-UHFFFAOYSA-N 0 0 429.517 2.851 50 0 IFAARN Cc1cccc(CCNC(=O)[C@H](NS(=O)(=O)c2cccc3nsnc32)C(C)C)c1 ZINC000020281008 524358573 /nfs/dbraw/zinc/35/85/73/524358573.db2.gz KDBRIUKZPWEBNR-GOSISDBHSA-N 0 0 432.571 2.662 50 0 IFAARN COc1ccc(N2C(=O)c3cc(C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)c(OC)c1 ZINC000035477316 524397171 /nfs/dbraw/zinc/39/71/71/524397171.db2.gz BDACYFLEHPQJQT-DEOSSOPVSA-N 0 0 434.496 2.944 50 0 IFAARN Cc1cc(C)cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000021112116 524417370 /nfs/dbraw/zinc/41/73/70/524417370.db2.gz UTNJERIOQJBJJU-UHFFFAOYSA-N 0 0 441.553 2.910 50 0 IFAARN Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)c1 ZINC000035452720 524419386 /nfs/dbraw/zinc/41/93/86/524419386.db2.gz UKORGLQWQGSTGX-OAHLLOKOSA-N 0 0 431.514 2.590 50 0 IFAARN C[C@H]1CCc2c(sc3ncnc(N4CCN(CCNC(=O)c5ccco5)CC4)c23)C1 ZINC000012813721 524437305 /nfs/dbraw/zinc/43/73/05/524437305.db2.gz OAJGKTJOQPJLBL-HNNXBMFYSA-N 0 0 425.558 2.961 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2=O)cc1Cl ZINC000011866600 524444977 /nfs/dbraw/zinc/44/49/77/524444977.db2.gz SLCQJHRMHPGNRD-CQSZACIVSA-N 0 0 437.924 2.781 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)OCC(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2=O)cc1OC ZINC000040066855 524447149 /nfs/dbraw/zinc/44/71/49/524447149.db2.gz MLEIWRVHTMYVSN-OAHLLOKOSA-N 0 0 442.468 2.630 50 0 IFAARN COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 ZINC000012788175 524469211 /nfs/dbraw/zinc/46/92/11/524469211.db2.gz SIAXPCVHEBBXBV-UHFFFAOYSA-N 0 0 434.558 2.871 50 0 IFAARN COc1ccc(NC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)c(OC)c1 ZINC000021027258 524473673 /nfs/dbraw/zinc/47/36/73/524473673.db2.gz FSUGAASAGCGKEZ-UHFFFAOYSA-N 0 0 431.518 2.537 50 0 IFAARN Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccc4cccc5c4c3CC5)ncn2)n1 ZINC000035597314 524476183 /nfs/dbraw/zinc/47/61/83/524476183.db2.gz UJIZKEQEOHQJRS-UHFFFAOYSA-N 0 0 448.552 2.921 50 0 IFAARN Cc1ccc(CN2C[C@H](C(=O)NCC(=O)Nc3ccccc3Br)CC2=O)cc1 ZINC000012762323 524482331 /nfs/dbraw/zinc/48/23/31/524482331.db2.gz ODWRTNFRKDTFHS-MRXNPFEDSA-N 0 0 444.329 2.861 50 0 IFAARN COc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1 ZINC000021029447 524489649 /nfs/dbraw/zinc/48/96/49/524489649.db2.gz OBJGODYFLXFSPD-UHFFFAOYSA-N 0 0 434.562 2.958 50 0 IFAARN COc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c(OC)c1 ZINC000012555756 524495635 /nfs/dbraw/zinc/49/56/35/524495635.db2.gz SKVUHPJNAMVNPL-QFIPXVFZSA-N 0 0 439.512 2.922 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C(C)C)n1 ZINC000012231530 524500059 /nfs/dbraw/zinc/50/00/59/524500059.db2.gz WXZFKDGWUQQPTP-UHFFFAOYSA-N 0 0 426.908 2.982 50 0 IFAARN C[C@@H](CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCOCC1 ZINC000020978129 524500936 /nfs/dbraw/zinc/50/09/36/524500936.db2.gz RWFHDKJAJGDLML-NSHDSACASA-N 0 0 439.481 2.811 50 0 IFAARN COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000023844508 524506434 /nfs/dbraw/zinc/50/64/34/524506434.db2.gz ZXZFEDKZUFJOFM-XMMPIXPASA-N 0 0 435.480 2.558 50 0 IFAARN Cc1ccc(CNC(=O)Cn2c3cccnc3c(=O)n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000017041547 524514359 /nfs/dbraw/zinc/51/43/59/524514359.db2.gz WCDVAQOOQCOPDO-UHFFFAOYSA-N 0 0 428.492 2.540 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)cc1 ZINC000012446347 524526826 /nfs/dbraw/zinc/52/68/26/524526826.db2.gz MOPRZBFIHIEVLS-UHFFFAOYSA-N 0 0 430.464 2.812 50 0 IFAARN COc1ccc(NC(=O)Cn2c3nc(-c4ccccc4C)nn3c(=O)cc2C)c(OC)c1 ZINC000021802800 524529694 /nfs/dbraw/zinc/52/96/94/524529694.db2.gz HGFSULCGHWEIAP-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)CN1CCCN(Cc2cccc(F)c2)S1(=O)=O ZINC000035447261 524530655 /nfs/dbraw/zinc/53/06/55/524530655.db2.gz IOEQGOUIDLOKMJ-SFHVURJKSA-N 0 0 433.549 2.716 50 0 IFAARN Cc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCC2)c1C ZINC000021528398 524530842 /nfs/dbraw/zinc/53/08/42/524530842.db2.gz IPMPADRUALTLRL-QFIPXVFZSA-N 0 0 435.590 2.509 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cn2c(=O)c(=O)[nH]c3cccnc32)cc1 ZINC000021881807 524534773 /nfs/dbraw/zinc/53/47/73/524534773.db2.gz DYYYCTRCPDOEIG-KRWDZBQOSA-N 0 0 428.492 2.884 50 0 IFAARN Cc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C(C)C)cc1 ZINC000021535731 524540470 /nfs/dbraw/zinc/54/04/70/524540470.db2.gz KJDFBWHRHKCDQP-QFIPXVFZSA-N 0 0 443.569 2.889 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CNc3cc(C)nc4nc(-c5cccnc5)nn43)CC2)c1 ZINC000035528354 524546739 /nfs/dbraw/zinc/54/67/39/524546739.db2.gz NACLCMUKRXBJTE-UHFFFAOYSA-N 0 0 442.527 2.564 50 0 IFAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)Nc3ccccc3C)n2)CC1 ZINC000035375461 524563610 /nfs/dbraw/zinc/56/36/10/524563610.db2.gz DIHUKUGATCJELZ-UHFFFAOYSA-N 0 0 433.512 2.526 50 0 IFAARN C[C@H](COc1ccc2c(c1)OCO2)NC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000020890556 524590521 /nfs/dbraw/zinc/59/05/21/524590521.db2.gz MGXJUJYCUAJNJA-GFCCVEGCSA-N 0 0 449.389 2.671 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)c1C ZINC000020638746 524594525 /nfs/dbraw/zinc/59/45/25/524594525.db2.gz COQPTOJJAJUTAT-UHFFFAOYSA-N 0 0 428.606 2.971 50 0 IFAARN C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N1CCc2ccccc2C1 ZINC000015726825 524598635 /nfs/dbraw/zinc/59/86/35/524598635.db2.gz HFAULTVPCLRJNG-CQSZACIVSA-N 0 0 430.551 2.726 50 0 IFAARN Cc1cccc(NC(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000015883658 524603209 /nfs/dbraw/zinc/60/32/09/524603209.db2.gz MLMSKYLXIKBSPM-UHFFFAOYSA-N 0 0 426.542 2.870 50 0 IFAARN COc1ccccc1NC(=O)Cc1nc(COC(=O)CNC(=O)c2ccccc2)cs1 ZINC000022109683 524604340 /nfs/dbraw/zinc/60/43/40/524604340.db2.gz GBSNBZLILSIUIJ-UHFFFAOYSA-N 0 0 439.493 2.806 50 0 IFAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(CC(=O)N(C)C)CC2)cc1Cl ZINC000022784050 524611813 /nfs/dbraw/zinc/61/18/13/524611813.db2.gz IASRAKAAOBIBPJ-QFIPXVFZSA-N 0 0 444.963 2.734 50 0 IFAARN COc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012881409 524621743 /nfs/dbraw/zinc/62/17/43/524621743.db2.gz DDPUUJZEVWKGHM-KRWDZBQOSA-N 0 0 443.569 2.517 50 0 IFAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c(OC)c1 ZINC000012561806 524636615 /nfs/dbraw/zinc/63/66/15/524636615.db2.gz ZXYBHXTWLFKETA-GASCZTMLSA-N 0 0 434.514 2.754 50 0 IFAARN COc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(CN3CCCC3=O)cc2)n1 ZINC000012557705 524650610 /nfs/dbraw/zinc/65/06/10/524650610.db2.gz JBCKIWQXRSRQOA-UHFFFAOYSA-N 0 0 448.483 2.685 50 0 IFAARN COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(Cl)c3)c2N)c(OC)c1 ZINC000020574998 524662410 /nfs/dbraw/zinc/66/24/10/524662410.db2.gz WDANNIDWVXWGFZ-UHFFFAOYSA-N 0 0 444.879 2.730 50 0 IFAARN COc1ccccc1OCC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1OC ZINC000012371780 524664370 /nfs/dbraw/zinc/66/43/70/524664370.db2.gz PMWWFSYEZJHEKA-HDICACEKSA-N 0 0 442.512 2.705 50 0 IFAARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)N3CCOCC3)c2)c1 ZINC000012520886 524692891 /nfs/dbraw/zinc/69/28/91/524692891.db2.gz ZZXDRAFLFWIRMV-UHFFFAOYSA-N 0 0 445.585 2.945 50 0 IFAARN Cc1cccc(OCC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)c1 ZINC000035534541 524714005 /nfs/dbraw/zinc/71/40/05/524714005.db2.gz VWLPMKSAANCTGB-UHFFFAOYSA-N 0 0 432.524 2.885 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000001120733 524730501 /nfs/dbraw/zinc/73/05/01/524730501.db2.gz XUSRGFVXWWODBB-UHFFFAOYSA-N 0 0 439.940 2.757 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1 ZINC000015941783 524736066 /nfs/dbraw/zinc/73/60/66/524736066.db2.gz BECKYOVAJORFQP-UHFFFAOYSA-N 0 0 435.933 2.799 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000035451983 524741488 /nfs/dbraw/zinc/74/14/88/524741488.db2.gz NEVWURQMIKXRHN-UHFFFAOYSA-N 0 0 437.905 2.547 50 0 IFAARN Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c1 ZINC000012674236 524770388 /nfs/dbraw/zinc/77/03/88/524770388.db2.gz GWUODXNOFZLBIE-CYBMUJFWSA-N 0 0 448.526 2.724 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)NC[C@H]3CCCO3)no2)c1 ZINC000036014749 524788726 /nfs/dbraw/zinc/78/87/26/524788726.db2.gz SJGHABHVOFTMSR-VQIMIIECSA-N 0 0 443.500 2.649 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NC3CC3)C[C@@H]3CCCO3)no2)c1 ZINC000036015276 524789923 /nfs/dbraw/zinc/78/99/23/524789923.db2.gz JPDKZTKBPYGJLM-KRWDZBQOSA-N 0 0 443.500 2.649 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)N3CCOCC3)CC(C)C)no2)c1 ZINC000036015358 524790093 /nfs/dbraw/zinc/79/00/93/524790093.db2.gz STULLRCYQXGJNA-UHFFFAOYSA-N 0 0 445.516 2.706 50 0 IFAARN COc1ccc(OC)c(-c2ccc(=O)n(CCc3nc(-c4ccc5c(c4)OCO5)no3)n2)c1 ZINC000033309842 524793018 /nfs/dbraw/zinc/79/30/18/524793018.db2.gz UYEVCUWZYJZFMR-UHFFFAOYSA-N 0 0 448.435 2.949 50 0 IFAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)NC[C@H]3CCCO3)c3ccccc32)C[C@@H](C)O1 ZINC000017246626 524801383 /nfs/dbraw/zinc/80/13/83/524801383.db2.gz ABJGAKLODRWTJG-KZNAEPCWSA-N 0 0 445.585 2.664 50 0 IFAARN COc1ccc(OC)c(CN2CCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)c1 ZINC000022775926 524827365 /nfs/dbraw/zinc/82/73/65/524827365.db2.gz QAUMGMNLJIXLMM-UHFFFAOYSA-N 0 0 427.549 2.772 50 0 IFAARN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)c1Cl ZINC000036014848 524846202 /nfs/dbraw/zinc/84/62/02/524846202.db2.gz HUUFACBIDJOQKE-UHFFFAOYSA-N 0 0 436.405 2.689 50 0 IFAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCOCC1)C2=O ZINC000012522358 524863565 /nfs/dbraw/zinc/86/35/65/524863565.db2.gz ZYOVSNUSTOTFLU-MWTRTKDXSA-N 0 0 428.533 2.599 50 0 IFAARN COc1ccc(OC)c([C@@H](C)NC(=O)COC(=O)c2sc3[nH]c(C)nc(=O)c3c2C)c1 ZINC000019010089 524882350 /nfs/dbraw/zinc/88/23/50/524882350.db2.gz RXPVEAARFRUUNJ-LLVKDONJSA-N 0 0 445.497 2.653 50 0 IFAARN Cc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1Cl ZINC000001150773 524891814 /nfs/dbraw/zinc/89/18/14/524891814.db2.gz QHRZXGXDPIQSQP-UHFFFAOYSA-N 0 0 439.940 2.902 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 ZINC000012893971 524892762 /nfs/dbraw/zinc/89/27/62/524892762.db2.gz UWTPQYVWRGTCAD-CYFREDJKSA-N 0 0 437.496 2.835 50 0 IFAARN COc1ccc(OC)c2[nH]c(C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)cc21 ZINC000012321228 524920906 /nfs/dbraw/zinc/92/09/06/524920906.db2.gz IDIJXVBJFZCFET-UHFFFAOYSA-N 0 0 425.441 2.715 50 0 IFAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCc2cscn2)c1 ZINC000012597061 524925395 /nfs/dbraw/zinc/92/53/95/524925395.db2.gz NXLJHWLNWJVLMQ-UHFFFAOYSA-N 0 0 429.542 2.904 50 0 IFAARN COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(CCO)Cc2cccs2)c1 ZINC000012227496 524926772 /nfs/dbraw/zinc/92/67/72/524926772.db2.gz IPNMXWLIIVQPDQ-UHFFFAOYSA-N 0 0 432.542 2.781 50 0 IFAARN C[C@H](NC(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)c1cccc2ccccc21 ZINC000022803257 524952650 /nfs/dbraw/zinc/95/26/50/524952650.db2.gz KNGDKGYTXXTUIY-NRFANRHFSA-N 0 0 444.579 2.951 50 0 IFAARN COc1ccc(OCCOC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1 ZINC000020866298 524961444 /nfs/dbraw/zinc/96/14/44/524961444.db2.gz YFFIXKOGAWGOFP-UHFFFAOYSA-N 0 0 448.541 2.782 50 0 IFAARN C[C@H](NC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1Cl ZINC000012902294 524965789 /nfs/dbraw/zinc/96/57/89/524965789.db2.gz MAKBVMRDCVTTEL-NSHDSACASA-N 0 0 442.299 2.578 50 0 IFAARN COc1ccc(OCc2nc3c4c(C)c(C)n(CCN5CCOCC5)c4ncn3n2)cc1 ZINC000020573503 524976530 /nfs/dbraw/zinc/97/65/30/524976530.db2.gz PAVNLDHPEIUVCL-UHFFFAOYSA-N 0 0 436.516 2.616 50 0 IFAARN COc1ccc(OCc2nnc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)n2C)cc1 ZINC000012762797 524979758 /nfs/dbraw/zinc/97/97/58/524979758.db2.gz XTVHLTKNCUAFRF-UHFFFAOYSA-N 0 0 440.481 2.709 50 0 IFAARN C[C@H]1Cc2cc(C(=O)N[C@@H](c3nccn3C)c3ccccc3F)ccc2N1S(C)(=O)=O ZINC000012519859 524980501 /nfs/dbraw/zinc/98/05/01/524980501.db2.gz GRUVPEPMQBUPJK-VBKZILBWSA-N 0 0 442.516 2.789 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)N[C@@H]3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 ZINC000020529831 524981196 /nfs/dbraw/zinc/98/11/96/524981196.db2.gz XLDFGRMOFXAIOI-GQIGUUNPSA-N 0 0 447.601 2.738 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)N3C[C@H](C)C[C@H](C)C3)ccc2N1C(=O)C1CC1 ZINC000020529820 524981206 /nfs/dbraw/zinc/98/12/06/524981206.db2.gz DPMUWWMCVMYSLZ-BBWFWOEESA-N 0 0 447.601 2.547 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)CN1CCCN(CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000022037407 524987692 /nfs/dbraw/zinc/98/76/92/524987692.db2.gz LAGGBRBITMPUMC-SFTDATJTSA-N 0 0 446.595 2.950 50 0 IFAARN C[C@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccc(S(N)(=O)=O)cc1 ZINC000012629045 524994497 /nfs/dbraw/zinc/99/44/97/524994497.db2.gz XSYVHFGLASSXON-ZDUSSCGKSA-N 0 0 441.538 2.685 50 0 IFAARN Cc1ccccc1-n1cc(CNCc2c(C(=O)N3CCOCC3)nc3ccccn32)cn1 ZINC000012203185 525032342 /nfs/dbraw/zinc/03/23/42/525032342.db2.gz OTRZUROOGXQYAA-UHFFFAOYSA-N 0 0 430.512 2.591 50 0 IFAARN Cc1ccccc1-n1ncc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)OCCO3)nc2C ZINC000012228528 525033770 /nfs/dbraw/zinc/03/37/70/525033770.db2.gz VPEYBFQPFWTLEW-UHFFFAOYSA-N 0 0 431.452 2.609 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(Cl)c1 ZINC000035452053 525044824 /nfs/dbraw/zinc/04/48/24/525044824.db2.gz QHYIDRMZZNIVIC-UHFFFAOYSA-N 0 0 437.905 2.547 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1C ZINC000020761906 525045361 /nfs/dbraw/zinc/04/53/61/525045361.db2.gz SDJPWVBKXVUVEQ-UHFFFAOYSA-N 0 0 437.905 2.547 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C[C@@H](C)O1 ZINC000012777356 525049800 /nfs/dbraw/zinc/04/98/00/525049800.db2.gz WJGARZZDBHZUTD-IAGOWNOFSA-N 0 0 441.553 2.938 50 0 IFAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCC(C)C)cc1OC ZINC000013362239 525049936 /nfs/dbraw/zinc/04/99/36/525049936.db2.gz QIYXMKSDMXNPDJ-FQEVSTJZSA-N 0 0 446.569 2.982 50 0 IFAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCC(C)C)COC12CCN(C(=O)C(C)(C)C)CC2 ZINC000035987838 525052488 /nfs/dbraw/zinc/05/24/88/525052488.db2.gz PATLSDYIULWDON-FQEVSTJZSA-N 0 0 443.588 2.973 50 0 IFAARN COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)C3CCCC3)cc2)cc1 ZINC000021683080 525057101 /nfs/dbraw/zinc/05/71/01/525057101.db2.gz LWOFNAIVXMQHBJ-UHFFFAOYSA-N 0 0 445.541 2.532 50 0 IFAARN C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000012258353 525060732 /nfs/dbraw/zinc/06/07/32/525060732.db2.gz CTURZZVWXHJNCO-LRYXAPPNSA-N 0 0 445.585 2.886 50 0 IFAARN C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000035590443 525076866 /nfs/dbraw/zinc/07/68/66/525076866.db2.gz YWVVOSOOEFJZIF-BETUJISGSA-N 0 0 432.887 2.662 50 0 IFAARN Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000012589065 525094743 /nfs/dbraw/zinc/09/47/43/525094743.db2.gz MSMNMAOKDLWDED-UHFFFAOYSA-N 0 0 426.897 2.990 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)c(C)c1 ZINC000035375727 525107877 /nfs/dbraw/zinc/10/78/77/525107877.db2.gz BHKXYAOZASRKAE-UHFFFAOYSA-N 0 0 435.503 2.965 50 0 IFAARN Cc1cc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n(-c2ccccc2)n1 ZINC000022789767 525140658 /nfs/dbraw/zinc/14/06/58/525140658.db2.gz NSMJXRJDIAOKFP-UHFFFAOYSA-N 0 0 433.512 2.666 50 0 IFAARN Cc1cc(NC(=O)CSc2nnc(N3CCN(C(=O)c4ccccc4)CC3)s2)no1 ZINC000035597078 525157987 /nfs/dbraw/zinc/15/79/87/525157987.db2.gz KEUUQPIYRGGGLG-UHFFFAOYSA-N 0 0 444.542 2.528 50 0 IFAARN C[C@H](NC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000012763553 525160518 /nfs/dbraw/zinc/16/05/18/525160518.db2.gz CXNVEUFVUIBBAL-ROUUACIJSA-N 0 0 433.549 2.788 50 0 IFAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000024611491 525177530 /nfs/dbraw/zinc/17/75/30/525177530.db2.gz JJAHDRAHRXFMRR-UHFFFAOYSA-N 0 0 430.526 2.947 50 0 IFAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000024611083 525177619 /nfs/dbraw/zinc/17/76/19/525177619.db2.gz AGSNMRHSZFEPPE-UHFFFAOYSA-N 0 0 430.526 2.582 50 0 IFAARN COc1ccc([C@@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)N2CCOCC2)cc1OC ZINC000022702695 525184680 /nfs/dbraw/zinc/18/46/80/525184680.db2.gz WGGQESNXJPXYQU-GOSISDBHSA-N 0 0 441.528 2.663 50 0 IFAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1CCN1CCOCC1 ZINC000021808458 525200756 /nfs/dbraw/zinc/20/07/56/525200756.db2.gz NKMFZGYPTWSKCT-HSZRJFAPSA-N 0 0 444.601 2.698 50 0 IFAARN C[C@]1(C(=O)NC2CCCCCC2)CN(S(C)(=O)=O)CC(=O)N1c1cccc(Cl)c1 ZINC000021528381 525200910 /nfs/dbraw/zinc/20/09/10/525200910.db2.gz SSWWOTMSELBSIJ-HXUWFJFHSA-N 0 0 441.981 2.546 50 0 IFAARN Cc1cc(NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2-c2cccc(C)c2)no1 ZINC000012522037 525211507 /nfs/dbraw/zinc/21/15/07/525211507.db2.gz LWNYVHKKPHGSCW-OAHLLOKOSA-N 0 0 428.518 2.828 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2)C1 ZINC000018223760 525212943 /nfs/dbraw/zinc/21/29/43/525212943.db2.gz GRWQKIOWEFHIFY-HZPDHXFCSA-N 0 0 435.571 2.717 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)cc1F ZINC000033021296 525221203 /nfs/dbraw/zinc/22/12/03/525221203.db2.gz PUWHTQVOGGWHBR-AWEZNQCLSA-N 0 0 447.488 2.504 50 0 IFAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)c1 ZINC000009450628 525248542 /nfs/dbraw/zinc/24/85/42/525248542.db2.gz ZQPLCTLVGKDNSE-UHFFFAOYSA-N 0 0 437.901 2.793 50 0 IFAARN C[C@]1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCS(=O)(=O)C1 ZINC000022548084 525287950 /nfs/dbraw/zinc/28/79/50/525287950.db2.gz SPTCMLNDFLVNJI-INIZCTEOSA-N 0 0 439.887 2.664 50 0 IFAARN C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc3C2)n1C ZINC000013567150 525350156 /nfs/dbraw/zinc/35/01/56/525350156.db2.gz XMVHLRAUQGFUMN-MRXNPFEDSA-N 0 0 435.553 2.983 50 0 IFAARN Cc1ccc(OC(F)F)c(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1 ZINC000021624880 525369779 /nfs/dbraw/zinc/36/97/79/525369779.db2.gz NOJVLVQBPMMWQY-NSHDSACASA-N 0 0 432.470 2.932 50 0 IFAARN Cc1cc(O[C@@H](C)C(=O)NCCCN2CCOCC2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000020547464 525378336 /nfs/dbraw/zinc/37/83/36/525378336.db2.gz QDHJVAGTTAYUOQ-KRWDZBQOSA-N 0 0 428.529 2.586 50 0 IFAARN Cc1[nH]c(C(=O)N2CCN(c3cc(C)ccc3C)CC2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000035480347 525411069 /nfs/dbraw/zinc/41/10/69/525411069.db2.gz RHNNNHQECOPCTJ-UHFFFAOYSA-N 0 0 444.601 2.995 50 0 IFAARN Cc1ccccc1[C@H](C)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C ZINC000032978709 525411967 /nfs/dbraw/zinc/41/19/67/525411967.db2.gz JCPQDYRVEPHEEA-HRAATJIYSA-N 0 0 432.542 2.947 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(C)c2)c1C(=O)N1CCCC1 ZINC000032996395 525412130 /nfs/dbraw/zinc/41/21/30/525412130.db2.gz ZIILGBSQGOBDGW-UHFFFAOYSA-N 0 0 446.573 2.791 50 0 IFAARN Cc1ccc(OCc2nnc(SCC(=O)NC3CC3)n2C)c(-n2nc3ccccc3n2)c1 ZINC000012447409 525452786 /nfs/dbraw/zinc/45/27/86/525452786.db2.gz IUYPFCPBWQELJL-UHFFFAOYSA-N 0 0 449.540 2.807 50 0 IFAARN COc1ccc2[nH]c(C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)cc2c1OC ZINC000012409890 525478149 /nfs/dbraw/zinc/47/81/49/525478149.db2.gz QEDJNWTXMPBNQH-UHFFFAOYSA-N 0 0 425.441 2.715 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2ccc4c(c2)OCO4)C(=O)[C@]31C ZINC000012866410 525484002 /nfs/dbraw/zinc/48/40/02/525484002.db2.gz TYSVLAGJNPWPOI-DEOSSOPVSA-N 0 0 433.464 2.548 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)cc1)CC3 ZINC000012478652 525485990 /nfs/dbraw/zinc/48/59/90/525485990.db2.gz FYRYLIIVECLRKR-XMMPIXPASA-N 0 0 446.551 2.760 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000012885426 525496009 /nfs/dbraw/zinc/49/60/09/525496009.db2.gz VZSJQVWOPGPXNH-UHFFFAOYSA-N 0 0 445.629 2.934 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4cccs4)CC3)CC2)cc1 ZINC000021903588 525519326 /nfs/dbraw/zinc/51/93/26/525519326.db2.gz HKWMBUGSOFJZIK-UHFFFAOYSA-N 0 0 447.626 2.802 50 0 IFAARN C[C@@H]1Cc2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)ccc2N1S(C)(=O)=O ZINC000012774752 525519585 /nfs/dbraw/zinc/51/95/85/525519585.db2.gz HBAKJXLRVXHLJA-LLVKDONJSA-N 0 0 433.555 2.689 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)Nc3cccc(F)c3)ccc2N1C(=O)C1CC1 ZINC000020529716 525521393 /nfs/dbraw/zinc/52/13/93/525521393.db2.gz YKKBLHPIKIYAHI-CQSZACIVSA-N 0 0 445.516 2.820 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3)ccc2N1C(=O)C1CC1 ZINC000020529871 525522326 /nfs/dbraw/zinc/52/23/26/525522326.db2.gz HJCIXBGWALWVEU-CQSZACIVSA-N 0 0 445.516 2.820 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3N3CCOCC3)C2)s1 ZINC000012522439 525531046 /nfs/dbraw/zinc/53/10/46/525531046.db2.gz VNIZFFLWAVGDFU-QGZVFWFLSA-N 0 0 449.598 2.933 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(F)c3F)CC2)cc1C ZINC000035176258 525541268 /nfs/dbraw/zinc/54/12/68/525541268.db2.gz AESDVKXZADLNSY-UHFFFAOYSA-N 0 0 441.475 2.666 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)c(C)c1 ZINC000012746183 525543725 /nfs/dbraw/zinc/54/37/25/525543725.db2.gz DWCCPNLBVICQOI-JOCHJYFZSA-N 0 0 445.560 2.769 50 0 IFAARN CSCC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1nnc2ccccn21 ZINC000020736424 525555517 /nfs/dbraw/zinc/55/55/17/525555517.db2.gz JYXPLCRNJMOHLV-QGZVFWFLSA-N 0 0 445.570 2.629 50 0 IFAARN C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)C1=O ZINC000058158183 525614850 /nfs/dbraw/zinc/61/48/50/525614850.db2.gz HEFDHHZHZVXYFZ-INIZCTEOSA-N 0 0 436.512 2.531 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc3ccccc3F)C1)OCC(=O)N2 ZINC000035378774 525615780 /nfs/dbraw/zinc/61/57/80/525615780.db2.gz XDMXZAXFSRTVFA-AWEZNQCLSA-N 0 0 447.488 2.504 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)[C@H](C)CC(=O)NCc1ccccc1Cl)OCC(=O)N2 ZINC000015680402 525616140 /nfs/dbraw/zinc/61/61/40/525616140.db2.gz GKDRRYTVMZBCEU-CYBMUJFWSA-N 0 0 436.917 2.848 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)NCCCOC13CC4CC(CC(C4)C1)C3)OCC(=O)N2 ZINC000012446823 525616661 /nfs/dbraw/zinc/61/66/61/525616661.db2.gz CPHXPBCQMJRVQS-UHFFFAOYSA-N 0 0 434.558 2.980 50 0 IFAARN Cc1cc2c(nc(SCC(=O)Nc3nncs3)n(Cc3cccnc3)c2=O)s1 ZINC000017097047 525624848 /nfs/dbraw/zinc/62/48/48/525624848.db2.gz RMEJXFHUBWWJEU-UHFFFAOYSA-N 0 0 430.540 2.792 50 0 IFAARN Cc1cc2nc(COC(=O)c3ccccc3NC(=O)COc3ccccc3)cc(=O)n2o1 ZINC000021633656 525672745 /nfs/dbraw/zinc/67/27/45/525672745.db2.gz JSVUDIYJTAIXCA-UHFFFAOYSA-N 0 0 433.420 2.970 50 0 IFAARN Cc1cc2nc(CSc3nnc(NC(=O)COc4ccccc4F)s3)cc(=O)n2o1 ZINC000020984529 525675059 /nfs/dbraw/zinc/67/50/59/525675059.db2.gz POIUJIXOINOEBU-UHFFFAOYSA-N 0 0 447.473 2.896 50 0 IFAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000016829222 525756929 /nfs/dbraw/zinc/75/69/29/525756929.db2.gz UBVAQVXZGGMFFM-HXUWFJFHSA-N 0 0 449.473 2.933 50 0 IFAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000020907634 525769455 /nfs/dbraw/zinc/76/94/55/525769455.db2.gz USSXQKMTNGVCDG-UHFFFAOYSA-N 0 0 444.944 2.981 50 0 IFAARN Cc1ccc(-c2nc(CSc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)no2)cc1 ZINC000012644402 525815538 /nfs/dbraw/zinc/81/55/38/525815538.db2.gz UOQBEWSSQTWSQU-UHFFFAOYSA-N 0 0 445.570 2.668 50 0 IFAARN COc1cccc(C(=O)NCCNC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000020716536 525817128 /nfs/dbraw/zinc/81/71/28/525817128.db2.gz JDSGAZUCTVTHCF-OAHLLOKOSA-N 0 0 449.429 2.613 50 0 IFAARN COc1cccc(C(=O)NCCNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000020716532 525819361 /nfs/dbraw/zinc/81/93/61/525819361.db2.gz JDSGAZUCTVTHCF-HNNXBMFYSA-N 0 0 449.429 2.613 50 0 IFAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)cc3N2)cc1 ZINC000012468189 525844129 /nfs/dbraw/zinc/84/41/29/525844129.db2.gz KYRGRLBASAZZSZ-WMZOPIPTSA-N 0 0 437.466 2.914 50 0 IFAARN C[C@@]1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCS(=O)(=O)C1 ZINC000022548082 525865443 /nfs/dbraw/zinc/86/54/43/525865443.db2.gz SPTCMLNDFLVNJI-MRXNPFEDSA-N 0 0 439.887 2.664 50 0 IFAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1nccs1 ZINC000021702407 525874481 /nfs/dbraw/zinc/87/44/81/525874481.db2.gz HERYKEILDVPOPQ-LLVKDONJSA-N 0 0 433.515 2.684 50 0 IFAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1nccs1 ZINC000021702411 525876028 /nfs/dbraw/zinc/87/60/28/525876028.db2.gz HERYKEILDVPOPQ-NSHDSACASA-N 0 0 433.515 2.684 50 0 IFAARN C[C@H](OC(=O)/C=C/c1nc2ccccc2o1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000012908141 525878155 /nfs/dbraw/zinc/87/81/55/525878155.db2.gz JTJXKOKXZWFZOG-FBOQAHMBSA-N 0 0 447.369 2.945 50 0 IFAARN C[C@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)N1CCc2ccccc2C1 ZINC000021327681 525880601 /nfs/dbraw/zinc/88/06/01/525880601.db2.gz QBUOKKUNGJXNLC-SFHVURJKSA-N 0 0 433.508 2.920 50 0 IFAARN Cc1c(O[C@H](C)C(=O)NCCN2CCOCC2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000020546460 525882616 /nfs/dbraw/zinc/88/26/16/525882616.db2.gz GWFXOVOEHOWTHY-GOSISDBHSA-N 0 0 436.508 2.984 50 0 IFAARN C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCC(C(=O)N3CCCCCC3)CC2)C1=O ZINC000012799251 525890406 /nfs/dbraw/zinc/89/04/06/525890406.db2.gz KHVVADHHAXAOFJ-QHCPKHFHSA-N 0 0 448.514 2.804 50 0 IFAARN CC(=O)c1cccc(N2CN=c3sc(=Cc4cccc(Br)c4)c(=O)n3C2)c1 ZINC000002327412 534889635 /nfs/dbraw/zinc/88/96/35/534889635.db2.gz DNCGBLUAXARJFP-NVMNQCDNSA-N 0 0 442.338 2.759 50 0 IFAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3)n2)C1=O ZINC000009516377 525891225 /nfs/dbraw/zinc/89/12/25/525891225.db2.gz ASPIBPJAXXYSRT-QHCPKHFHSA-N 0 0 429.484 2.653 50 0 IFAARN C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012622618 525896850 /nfs/dbraw/zinc/89/68/50/525896850.db2.gz OGSGQUWTIPJURQ-ZCFIWIBFSA-N 0 0 431.663 2.907 50 0 IFAARN Cc1ccc(-n2c(S[C@H](C)C(=O)N3CCNC3=O)nc3ccccc3c2=O)cc1F ZINC000024713111 525903784 /nfs/dbraw/zinc/90/37/84/525903784.db2.gz WUJQGIYFKJGSCS-CYBMUJFWSA-N 0 0 426.473 2.866 50 0 IFAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000040089303 525917710 /nfs/dbraw/zinc/91/77/10/525917710.db2.gz IWJDJQMESSMPDI-GUDVDZBRSA-N 0 0 446.569 2.676 50 0 IFAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)Nc2ccc4c(c2)OCO4)nc3C)cc1C ZINC000012228789 525934479 /nfs/dbraw/zinc/93/44/79/525934479.db2.gz PYCMKJOLZGQFNR-UHFFFAOYSA-N 0 0 431.452 2.875 50 0 IFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000012310252 525935110 /nfs/dbraw/zinc/93/51/10/525935110.db2.gz ZCCCBMFIGONLAI-UHFFFAOYSA-N 0 0 429.484 2.978 50 0 IFAARN CSc1ccc(-c2noc(CCCn3c(=O)[nH]c4cc5c(cc4c3=O)OCO5)n2)cc1 ZINC000021874074 525949646 /nfs/dbraw/zinc/94/96/46/525949646.db2.gz XXHCYVXDUIWNCJ-UHFFFAOYSA-N 0 0 438.465 2.823 50 0 IFAARN COc1cccc(CN2C[C@@H](C(=O)NCCc3nc(-c4ccccc4)no3)CCC2=O)c1 ZINC000012056266 525954488 /nfs/dbraw/zinc/95/44/88/525954488.db2.gz YOIBIXRWFSCPRB-IBGZPJMESA-N 0 0 434.496 2.843 50 0 IFAARN C[C@@H](On1nnc2ccc(C(F)(F)F)cc21)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000012551146 525967869 /nfs/dbraw/zinc/96/78/69/525967869.db2.gz NRMOQBQQHYEEHO-OAHLLOKOSA-N 0 0 433.434 2.612 50 0 IFAARN C[C@@H](SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1nc2ccccc2[nH]1 ZINC000012556694 525970944 /nfs/dbraw/zinc/97/09/44/525970944.db2.gz CDEQURQUDNQCMU-MRXNPFEDSA-N 0 0 444.582 2.890 50 0 IFAARN COc1cccc(CNC(=O)CN2C(=O)CSc3ccc(C(=O)N4CCCC4)cc32)c1 ZINC000035402627 525971227 /nfs/dbraw/zinc/97/12/27/525971227.db2.gz VOKQIAYORBXPCX-UHFFFAOYSA-N 0 0 439.537 2.686 50 0 IFAARN C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000012380426 525981703 /nfs/dbraw/zinc/98/17/03/525981703.db2.gz YMINRELBLAEXJF-QGZVFWFLSA-N 0 0 435.977 2.839 50 0 IFAARN C[C@H](Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1)C(=O)NC1CCCC1 ZINC000022358321 526003406 /nfs/dbraw/zinc/00/34/06/526003406.db2.gz KGNOUWCFMUSENM-KRWDZBQOSA-N 0 0 444.601 2.658 50 0 IFAARN C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1nnc(-c2cccs2)o1 ZINC000021628205 526012947 /nfs/dbraw/zinc/01/29/47/526012947.db2.gz MKVILGSJUDMPQC-QWRGUYRKSA-N 0 0 425.561 2.757 50 0 IFAARN C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012630848 526015283 /nfs/dbraw/zinc/01/52/83/526015283.db2.gz ADAQHFLLUAFEGA-SMDDNHRTSA-N 0 0 442.588 2.864 50 0 IFAARN C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)Nc1sccc1C(N)=O ZINC000012774213 526015475 /nfs/dbraw/zinc/01/54/75/526015475.db2.gz RXHQPZPXTWONPI-HZMBPMFUSA-N 0 0 445.526 2.607 50 0 IFAARN Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1C ZINC000021718427 526039555 /nfs/dbraw/zinc/03/95/55/526039555.db2.gz RKZZTHZPDHPGTN-UHFFFAOYSA-N 0 0 442.516 2.704 50 0 IFAARN COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)CN(C(=O)Cc3cccnc3)C2)c1 ZINC000014534744 526059190 /nfs/dbraw/zinc/05/91/90/526059190.db2.gz FKFQNVPEWKCEBK-QFIPXVFZSA-N 0 0 425.529 2.545 50 0 IFAARN COc1cccc(C[C@]2(CCC(=O)NCCc3cn4ccsc4n3)CCC(=O)N2)c1 ZINC000012240191 526080750 /nfs/dbraw/zinc/08/07/50/526080750.db2.gz PTPBZOQENHUMMR-QFIPXVFZSA-N 0 0 426.542 2.735 50 0 IFAARN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012763544 526096315 /nfs/dbraw/zinc/09/63/15/526096315.db2.gz CXNVEUFVUIBBAL-ZWKOTPCHSA-N 0 0 433.549 2.788 50 0 IFAARN Cc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)c(=O)oc2c1 ZINC000012870120 526118408 /nfs/dbraw/zinc/11/84/08/526118408.db2.gz VEPNCCSVTGANNC-HNNXBMFYSA-N 0 0 428.510 2.867 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nn1-c1ccccc1F ZINC000016489555 526133215 /nfs/dbraw/zinc/13/32/15/526133215.db2.gz NZTCXHFIOFOEMP-UHFFFAOYSA-N 0 0 444.488 2.619 50 0 IFAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)CCOc1ccccc1F ZINC000012860408 526144912 /nfs/dbraw/zinc/14/49/12/526144912.db2.gz CNAHMNJKQULHAR-QGZVFWFLSA-N 0 0 449.548 2.948 50 0 IFAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)ccc12 ZINC000009390575 526148564 /nfs/dbraw/zinc/14/85/64/526148564.db2.gz PDSBUENVMZJCHU-UHFFFAOYSA-N 0 0 442.493 2.903 50 0 IFAARN COc1cccc(N2CCN(C(=O)c3ccc(CN4c5ccnn5CCC4=O)cc3)CC2)c1 ZINC000020938107 526149917 /nfs/dbraw/zinc/14/99/17/526149917.db2.gz UNCGUDHSOIZPGG-UHFFFAOYSA-N 0 0 445.523 2.791 50 0 IFAARN CSc1ccccc1N1C(=O)CN(C(=O)CCn2cnc3ccccc3c2=O)C[C@@H]1C ZINC000012005055 526162873 /nfs/dbraw/zinc/16/28/73/526162873.db2.gz IMBMFXLKTKVFCO-INIZCTEOSA-N 0 0 436.537 2.772 50 0 IFAARN COc1cccc(N2C[C@H](C(=O)Nc3nc(C)c(C4N=NC(=S)N4C)s3)CC2=O)c1 ZINC000012909301 526162912 /nfs/dbraw/zinc/16/29/12/526162912.db2.gz SXZWMNLFWZEJQS-LLVKDONJSA-N 0 0 444.542 2.536 50 0 IFAARN CSc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000034873208 526167968 /nfs/dbraw/zinc/16/79/68/526167968.db2.gz GLAVZOKORDKEBF-UHFFFAOYSA-N 0 0 433.599 2.970 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000012878856 526168608 /nfs/dbraw/zinc/16/86/08/526168608.db2.gz AVNFOLLJTARSIW-ZDUSSCGKSA-N 0 0 446.301 2.626 50 0 IFAARN Cc1cnc2c(cccc2S(=O)(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012589453 526168586 /nfs/dbraw/zinc/16/85/86/526168586.db2.gz IYKIJUXVMKGEGH-INIZCTEOSA-N 0 0 436.580 2.983 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000012878865 526168817 /nfs/dbraw/zinc/16/88/17/526168817.db2.gz AVNFOLLJTARSIW-CYBMUJFWSA-N 0 0 446.301 2.626 50 0 IFAARN Cc1ccc2c(c1)N[C@H](C(=O)Nc1ccc(NC(=O)c3ccco3)cc1)NS2(=O)=O ZINC000012414563 526174339 /nfs/dbraw/zinc/17/43/39/526174339.db2.gz FOJXCRVKEBYSJI-SFHVURJKSA-N 0 0 426.454 2.509 50 0 IFAARN COc1cccc(NC(=O)COc2ccc(C(=O)NCCN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000022612201 526177869 /nfs/dbraw/zinc/17/78/69/526177869.db2.gz FNRYUPAFDIEIAB-HDICACEKSA-N 0 0 441.528 2.552 50 0 IFAARN COc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)c1 ZINC000021779664 526188856 /nfs/dbraw/zinc/18/88/56/526188856.db2.gz VQUKHGOYLMIXGZ-UHFFFAOYSA-N 0 0 428.514 2.725 50 0 IFAARN Cc1cc(C(=O)CN(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c(C)n1C1CC1 ZINC000012812199 526202334 /nfs/dbraw/zinc/20/23/34/526202334.db2.gz YFGKWYMPHSGHKL-LJQANCHMSA-N 0 0 432.590 2.927 50 0 IFAARN Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)n1Cc1ccco1 ZINC000012532174 526210492 /nfs/dbraw/zinc/21/04/92/526210492.db2.gz FDVDXLOBFVGXNU-QZTJIDSGSA-N 0 0 426.469 2.647 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000022781223 526217834 /nfs/dbraw/zinc/21/78/34/526217834.db2.gz WSGATWVWZVVSGO-GOSISDBHSA-N 0 0 434.540 2.503 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)Nc3ccc(C(=O)c4nccn4C)cc3)c(C)n2n1 ZINC000012556611 526218870 /nfs/dbraw/zinc/21/88/70/526218870.db2.gz JUAXGOQSGJDJDI-UHFFFAOYSA-N 0 0 449.540 2.999 50 0 IFAARN Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3c(cc(F)cc3F)s2)nn1C ZINC000022768211 526231033 /nfs/dbraw/zinc/23/10/33/526231033.db2.gz IPZHMSHQKTUTFX-UHFFFAOYSA-N 0 0 435.500 2.986 50 0 IFAARN Cc1ccc(C(C)C)cc1OCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012616729 526249699 /nfs/dbraw/zinc/24/96/99/526249699.db2.gz MKUGDNWGWFDOKZ-UHFFFAOYSA-N 0 0 440.569 2.911 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000034857783 526256886 /nfs/dbraw/zinc/25/68/86/526256886.db2.gz SZQPBJPYZSIVNV-AVRDEDQJSA-N 0 0 429.586 2.841 50 0 IFAARN C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O ZINC000015720893 526258302 /nfs/dbraw/zinc/25/83/02/526258302.db2.gz KZYCKKNKFKOMNV-GUYCJALGSA-N 0 0 431.489 2.874 50 0 IFAARN Cc1nn(CC(=O)Nc2ccc3c(c2)nc2n3CCN(C(C)C)C2)c(=O)c2ccccc12 ZINC000021800085 526268670 /nfs/dbraw/zinc/26/86/70/526268670.db2.gz RLTMNUCVDRCVGL-UHFFFAOYSA-N 0 0 430.512 2.917 50 0 IFAARN Cc1nn(CC(=O)c2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000012769297 526269260 /nfs/dbraw/zinc/26/92/60/526269260.db2.gz XJSYLQMHCPJKQE-UHFFFAOYSA-N 0 0 439.493 2.863 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012913006 526270456 /nfs/dbraw/zinc/27/04/56/526270456.db2.gz JZMYHIRIYCHCFM-UHFFFAOYSA-N 0 0 446.617 2.930 50 0 IFAARN Cc1nn(CCC(=O)N2CCc3ccccc3C2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000021029418 526276651 /nfs/dbraw/zinc/27/66/51/526276651.db2.gz QDMFWAYCVABYTN-UHFFFAOYSA-N 0 0 430.574 2.650 50 0 IFAARN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012647780 526276712 /nfs/dbraw/zinc/27/67/12/526276712.db2.gz QEASGQKVSYEUPW-FQEVSTJZSA-N 0 0 425.535 2.720 50 0 IFAARN Cc1nn(CCC(=O)NCc2ccc(C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000021029492 526277621 /nfs/dbraw/zinc/27/76/21/526277621.db2.gz ODNPNGPDQINLMO-UHFFFAOYSA-N 0 0 432.590 2.935 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000012568037 526303857 /nfs/dbraw/zinc/30/38/57/526303857.db2.gz NCMVDKAWGQTRRX-IFMALSPDSA-N 0 0 444.601 2.655 50 0 IFAARN O=C(C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)N1CCN(c2ccccc2)CC1 ZINC000024613087 526304782 /nfs/dbraw/zinc/30/47/82/526304782.db2.gz JGWYNIJPNVVUNF-UHFFFAOYSA-N 0 0 445.560 2.716 50 0 IFAARN Cc1nn2c(nc(CSc3nnc(NC(=O)c4ccccc4F)s3)cc2=O)s1 ZINC000020983458 526313003 /nfs/dbraw/zinc/31/30/03/526313003.db2.gz IYXIAFSSUVFVNB-UHFFFAOYSA-N 0 0 434.503 2.995 50 0 IFAARN O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000020745042 526331070 /nfs/dbraw/zinc/33/10/70/526331070.db2.gz RBUXHAZXNTZRPN-UHFFFAOYSA-N 0 0 433.295 2.637 50 0 IFAARN O=C(NCCNS(=O)(=O)Cc1ccccc1)c1ccc(NC(=O)C2CCCC2)cc1 ZINC000021683203 526337878 /nfs/dbraw/zinc/33/78/78/526337878.db2.gz SJDLHQKBZMMYON-UHFFFAOYSA-N 0 0 429.542 2.665 50 0 IFAARN O=C(CC1=CSC2=NCCN12)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000012433179 526340039 /nfs/dbraw/zinc/34/00/39/526340039.db2.gz VZDFCJZUDDRTDF-QGZVFWFLSA-N 0 0 429.565 2.589 50 0 IFAARN Cc1nnc(NC(=O)CCc2nc(CSc3nnc(-c4cccnc4)o3)no2)s1 ZINC000021721835 526362849 /nfs/dbraw/zinc/36/28/49/526362849.db2.gz ZGZWXLWRLFUWNV-UHFFFAOYSA-N 0 0 430.475 2.538 50 0 IFAARN Cc1nnc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)s1 ZINC000012233443 526363929 /nfs/dbraw/zinc/36/39/29/526363929.db2.gz NIKVZNSNCCKFJO-LBPRGKRZSA-N 0 0 443.489 2.557 50 0 IFAARN Cc1csc(NC(=O)CCc2nnc3ccc(NCc4ccc5c(c4)OCO5)nn32)n1 ZINC000021024190 526382616 /nfs/dbraw/zinc/38/26/16/526382616.db2.gz HZABWNRDIGXMFK-UHFFFAOYSA-N 0 0 437.485 2.801 50 0 IFAARN Cc1csc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)n1 ZINC000012407526 526383073 /nfs/dbraw/zinc/38/30/73/526383073.db2.gz PUJFSQJARLMMTN-KRWDZBQOSA-N 0 0 426.542 2.990 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 ZINC000021526955 526403079 /nfs/dbraw/zinc/40/30/79/526403079.db2.gz WLOWEXYZAKVQDJ-FQEVSTJZSA-N 0 0 425.916 2.646 50 0 IFAARN O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2ccccc2s1 ZINC000012360313 526411804 /nfs/dbraw/zinc/41/18/04/526411804.db2.gz BKWLCIHADVJHRB-UHFFFAOYSA-N 0 0 430.551 2.895 50 0 IFAARN O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000023084536 526419494 /nfs/dbraw/zinc/41/94/94/526419494.db2.gz KVGCAMKVQRXTLZ-UHFFFAOYSA-N 0 0 437.477 2.751 50 0 IFAARN O=C(NCCc1ccccn1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000021774611 526434935 /nfs/dbraw/zinc/43/49/35/526434935.db2.gz BFCLUJRBUJPCGM-UHFFFAOYSA-N 0 0 425.466 2.584 50 0 IFAARN O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1F ZINC000012927911 526444449 /nfs/dbraw/zinc/44/44/49/526444449.db2.gz IJUOIHDDKFFNAU-UHFFFAOYSA-N 0 0 428.869 2.948 50 0 IFAARN O=C(NCCc1cn2cccnc2n1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000012317424 526450383 /nfs/dbraw/zinc/45/03/83/526450383.db2.gz LIJVYLZEWKRQKO-KRWDZBQOSA-N 0 0 425.920 2.523 50 0 IFAARN O=C(NCCc1cn2cccnc2n1)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000012317425 526451661 /nfs/dbraw/zinc/45/16/61/526451661.db2.gz LIJVYLZEWKRQKO-QGZVFWFLSA-N 0 0 425.920 2.523 50 0 IFAARN O=C(NCCc1cnccn1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000012387698 526452472 /nfs/dbraw/zinc/45/24/72/526452472.db2.gz DXIPOWQZMXKCBN-LJQANCHMSA-N 0 0 428.540 2.998 50 0 IFAARN c1ccc(-n2nnnc2C2(N3CCN(c4ncccn4)CC3)C3CC4CC(C3)CC2C4)cc1 ZINC000035170791 526458760 /nfs/dbraw/zinc/45/87/60/526458760.db2.gz LLPATKHHASKDIX-UHFFFAOYSA-N 0 0 442.571 2.926 50 0 IFAARN O=C([C@@H]1CCCO1)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1 ZINC000020778916 526472846 /nfs/dbraw/zinc/47/28/46/526472846.db2.gz LKFAQVXOZPGDPZ-QHCPKHFHSA-N 0 0 425.529 2.500 50 0 IFAARN O=C(CCN1C(=O)COc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023882722 526478406 /nfs/dbraw/zinc/47/84/06/526478406.db2.gz WYHSIDXUNBEOHN-UHFFFAOYSA-N 0 0 436.537 2.756 50 0 IFAARN O=C(NC[C@@H](O)c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012408369 526489306 /nfs/dbraw/zinc/48/93/06/526489306.db2.gz GGPOEESMRLVAST-OAQYLSRUSA-N 0 0 428.485 2.768 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000020540758 526549232 /nfs/dbraw/zinc/54/92/32/526549232.db2.gz VRBDADCBNKHMBH-GOSISDBHSA-N 0 0 434.562 2.568 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012850790 526549807 /nfs/dbraw/zinc/54/98/07/526549807.db2.gz FFXHBQJHUGPIKW-OAHLLOKOSA-N 0 0 431.436 2.780 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000042380070 526550000 /nfs/dbraw/zinc/55/00/00/526550000.db2.gz STNKAYHZSMJXJS-AWEZNQCLSA-N 0 0 432.458 2.638 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2N2CCCC2)C1 ZINC000022741433 526550256 /nfs/dbraw/zinc/55/02/56/526550256.db2.gz YOXUAIJEBIFQJU-QGZVFWFLSA-N 0 0 432.546 2.931 50 0 IFAARN O=C(NC[C@@H]1COCCO1)c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1 ZINC000020938606 526554589 /nfs/dbraw/zinc/55/45/89/526554589.db2.gz PCYDTJGDJPIRPX-OAQYLSRUSA-N 0 0 446.507 2.632 50 0 IFAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(c2ccccc2Cl)CC1 ZINC000035598222 526562953 /nfs/dbraw/zinc/56/29/53/526562953.db2.gz OWASPUKJADRXDJ-SFHVURJKSA-N 0 0 426.904 2.520 50 0 IFAARN Cc1nc(-c2ccc(N3CCN(C(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)CC3)cc2)no1 ZINC000021884641 526576595 /nfs/dbraw/zinc/57/65/95/526576595.db2.gz REAKIKLRFKHAJM-LJQANCHMSA-N 0 0 431.496 2.747 50 0 IFAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000022907518 526580951 /nfs/dbraw/zinc/58/09/51/526580951.db2.gz NYOVAZVQJPQLNJ-LJQANCHMSA-N 0 0 433.464 2.863 50 0 IFAARN O=C(c1c[nH]nc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012795977 526583719 /nfs/dbraw/zinc/58/37/19/526583719.db2.gz DCZVEJMLDZYMLT-UHFFFAOYSA-N 0 0 430.917 2.877 50 0 IFAARN O=C(c1c[nH]nc1-c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012556859 526583972 /nfs/dbraw/zinc/58/39/72/526583972.db2.gz YRQBDINXNXXLGD-UHFFFAOYSA-N 0 0 432.452 2.502 50 0 IFAARN Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)NCc4cccs4)CC3)c2)no1 ZINC000033086530 526595174 /nfs/dbraw/zinc/59/51/74/526595174.db2.gz BLOMOWQIEIUJEX-UHFFFAOYSA-N 0 0 446.554 2.824 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1cccnc1N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000022658477 526602044 /nfs/dbraw/zinc/60/20/44/526602044.db2.gz SZGREVVZWFVVCB-MRXNPFEDSA-N 0 0 446.910 2.745 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)NCCC(C)C)CC3)c2)no1 ZINC000035557913 526623246 /nfs/dbraw/zinc/62/32/46/526623246.db2.gz ARHWOUKDTJXJTC-UHFFFAOYSA-N 0 0 426.564 2.670 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)NC[C@H]3CCCO3)c2)sc1C(=O)N1CCCC1 ZINC000035527923 526624135 /nfs/dbraw/zinc/62/41/35/526624135.db2.gz QKSKORRHCBXNEG-CQSZACIVSA-N 0 0 441.600 2.873 50 0 IFAARN O=C(NC[C@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000012877598 526625949 /nfs/dbraw/zinc/62/59/49/526625949.db2.gz WOFFIUMVBVFVAX-IBGZPJMESA-N 0 0 438.505 2.735 50 0 IFAARN O=C(c1cc2n(n1)CCN(Cc1ccccc1)C2=O)N1CCN(c2ccccc2F)CC1 ZINC000034810828 526643616 /nfs/dbraw/zinc/64/36/16/526643616.db2.gz FUKGQMYFIODWFW-UHFFFAOYSA-N 0 0 433.487 2.641 50 0 IFAARN O=C(CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1)NCCCc1ccccc1 ZINC000033062944 526650522 /nfs/dbraw/zinc/65/05/22/526650522.db2.gz RPZBPPCYZGGIFX-UHFFFAOYSA-N 0 0 431.489 2.864 50 0 IFAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012867905 526658253 /nfs/dbraw/zinc/65/82/53/526658253.db2.gz VUBRIBMPJWGVFA-UHFFFAOYSA-N 0 0 443.500 2.946 50 0 IFAARN O=C(CCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)NCc1ccccc1Cl ZINC000021540382 526665487 /nfs/dbraw/zinc/66/54/87/526665487.db2.gz BEAYRPBJQLKGRM-UHFFFAOYSA-N 0 0 425.851 2.922 50 0 IFAARN O=C(CCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)NCCc1ccc(Cl)cc1 ZINC000021540393 526665568 /nfs/dbraw/zinc/66/55/68/526665568.db2.gz WRNKZEZDXQKEFV-UHFFFAOYSA-N 0 0 439.878 2.964 50 0 IFAARN O=C(CCn1c(=O)c2cccn2c2cccnc21)Nc1ccc(CN2CCOCC2)cc1 ZINC000020512791 526667055 /nfs/dbraw/zinc/66/70/55/526667055.db2.gz SEUGQSCEPXVTAG-UHFFFAOYSA-N 0 0 431.496 2.510 50 0 IFAARN O=C(c1ccc(Cl)cc1)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1 ZINC000035376413 526675182 /nfs/dbraw/zinc/67/51/82/526675182.db2.gz QXZZFTGCWDOHLQ-UHFFFAOYSA-N 0 0 443.906 2.955 50 0 IFAARN O=C(NCc1ccc(NC(=O)C2CC2)cc1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000022357829 526683783 /nfs/dbraw/zinc/68/37/83/526683783.db2.gz FXRTZSAMZRGLRZ-IBGZPJMESA-N 0 0 428.558 2.969 50 0 IFAARN O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000022484526 526683894 /nfs/dbraw/zinc/68/38/94/526683894.db2.gz FTGYHDPXKZBXPD-FCHUYYIVSA-N 0 0 448.567 2.930 50 0 IFAARN O=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2ccccc2)CC1 ZINC000015345815 526687210 /nfs/dbraw/zinc/68/72/10/526687210.db2.gz XFWKQZOICQQCQZ-UHFFFAOYSA-N 0 0 431.533 2.963 50 0 IFAARN O=C(CN(C1=N[C@H]2CS(=O)(=O)C[C@@H]2S1)c1ccccc1F)Nc1ccc(F)cc1 ZINC000020867479 526693043 /nfs/dbraw/zinc/69/30/43/526693043.db2.gz MAIINYUFWDRJTL-RDJZCZTQSA-N 0 0 437.493 2.678 50 0 IFAARN O=C(CN(C1=N[C@H]2CS(=O)(=O)C[C@@H]2S1)c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000020867310 526693232 /nfs/dbraw/zinc/69/32/32/526693232.db2.gz SMYQJLGKIXVIQQ-IRXDYDNUSA-N 0 0 437.493 2.678 50 0 IFAARN O=C(c1ccc(=O)[nH]n1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000035598293 526705631 /nfs/dbraw/zinc/70/56/31/526705631.db2.gz HPWYISXXERNWQS-UHFFFAOYSA-N 0 0 428.496 2.538 50 0 IFAARN O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000012626894 526745965 /nfs/dbraw/zinc/74/59/65/526745965.db2.gz MMRKUZOIWWJKLO-UHFFFAOYSA-N 0 0 442.459 2.797 50 0 IFAARN O=C(NCc1ccccc1F)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000017177681 526750326 /nfs/dbraw/zinc/75/03/26/526750326.db2.gz AXBMJKBZGLQEJO-LJQANCHMSA-N 0 0 448.447 2.505 50 0 IFAARN O=C(CN1CCN(C(=O)CSc2ncnc3sccc32)CC1)Nc1ccc(F)cc1 ZINC000035392607 526762965 /nfs/dbraw/zinc/76/29/65/526762965.db2.gz IGCFXCFTZBDTFX-UHFFFAOYSA-N 0 0 445.545 2.705 50 0 IFAARN O=C(c1cccc(F)c1)N1CCN(c2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000021884420 526764703 /nfs/dbraw/zinc/76/47/03/526764703.db2.gz LQLGBONIAVZLLG-UHFFFAOYSA-N 0 0 435.484 2.920 50 0 IFAARN O=C(CN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1)NC1CC1 ZINC000012617738 526766268 /nfs/dbraw/zinc/76/62/68/526766268.db2.gz LHSPQWYAAWXCHM-UHFFFAOYSA-N 0 0 443.551 2.635 50 0 IFAARN O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000022916304 526770244 /nfs/dbraw/zinc/77/02/44/526770244.db2.gz XSGPAOOPDLBFIT-UHFFFAOYSA-N 0 0 426.483 2.664 50 0 IFAARN O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N1CC(=O)Nc2ccccc21 ZINC000022797502 526776495 /nfs/dbraw/zinc/77/64/95/526776495.db2.gz UVIHPGWJVHEXQF-UHFFFAOYSA-N 0 0 432.446 2.808 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCCCCC1 ZINC000012761409 526778598 /nfs/dbraw/zinc/77/85/98/526778598.db2.gz ZLGCCNUHOJPTRG-UHFFFAOYSA-N 0 0 434.389 2.702 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000036051255 526779030 /nfs/dbraw/zinc/77/90/30/526779030.db2.gz FPHRKGHMQBNMNY-UHFFFAOYSA-N 0 0 449.404 2.670 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)NC1CCCCCC1 ZINC000035355302 526779332 /nfs/dbraw/zinc/77/93/32/526779332.db2.gz IFYMOHYDLIAYLQ-UHFFFAOYSA-N 0 0 429.586 2.985 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000012888221 526779354 /nfs/dbraw/zinc/77/93/54/526779354.db2.gz VKUASLQPFNVVMI-NZQKXSOJSA-N 0 0 445.629 2.663 50 0 IFAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000022240674 526781826 /nfs/dbraw/zinc/78/18/26/526781826.db2.gz RNUJTPAADSQWHL-LJQANCHMSA-N 0 0 448.445 2.821 50 0 IFAARN O=C(c1ccccc1I)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000022476442 526807317 /nfs/dbraw/zinc/80/73/17/526807317.db2.gz ZFBXERXWHPXYBB-UHFFFAOYSA-N 0 0 427.286 2.655 50 0 IFAARN O=C(NCc1coc(-c2cccs2)n1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000022699493 526809878 /nfs/dbraw/zinc/80/98/78/526809878.db2.gz LLUMZHMFGGMHGJ-INIZCTEOSA-N 0 0 447.538 2.790 50 0 IFAARN O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000023107946 526817755 /nfs/dbraw/zinc/81/77/55/526817755.db2.gz WYADWHAIIFJWJE-UHFFFAOYSA-N 0 0 433.839 2.901 50 0 IFAARN O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1cc(Cl)ccc1F ZINC000012537431 526820082 /nfs/dbraw/zinc/82/00/82/526820082.db2.gz KJYCMGTWNDKIOJ-LJQANCHMSA-N 0 0 433.867 2.544 50 0 IFAARN O=C(CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@@H]2C1=O)Nc1cccnc1 ZINC000035445778 526824817 /nfs/dbraw/zinc/82/48/17/526824817.db2.gz PKZZCFHTCNTFAE-HXUWFJFHSA-N 0 0 433.512 2.662 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)CC1 ZINC000020531234 526828943 /nfs/dbraw/zinc/82/89/43/526828943.db2.gz GDRTUPAHOKGAGW-QFIPXVFZSA-N 0 0 443.503 2.831 50 0 IFAARN O=C(c1cccs1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000015821094 526837900 /nfs/dbraw/zinc/83/79/00/526837900.db2.gz YQTYFPOZHSPWDY-UHFFFAOYSA-N 0 0 437.550 2.838 50 0 IFAARN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000022202562 526856008 /nfs/dbraw/zinc/85/60/08/526856008.db2.gz USWYXXFJQCTYPQ-FQEVSTJZSA-N 0 0 427.570 2.790 50 0 IFAARN NC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1 ZINC000012313842 526856104 /nfs/dbraw/zinc/85/61/04/526856104.db2.gz XVLQOWFCFXLDIY-LJQANCHMSA-N 0 0 433.556 2.573 50 0 IFAARN NC(=O)C1CCN(c2ccc3cccc(OCC(=O)NCc4ccc(F)cc4)c3n2)CC1 ZINC000017170516 526857384 /nfs/dbraw/zinc/85/73/84/526857384.db2.gz RKWQADAQBOFIFS-UHFFFAOYSA-N 0 0 436.487 2.771 50 0 IFAARN O=C(CNC(=O)c1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000012867274 526863526 /nfs/dbraw/zinc/86/35/26/526863526.db2.gz YARHUAZWJXZUSU-ATVHPVEESA-N 0 0 443.912 2.923 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1)OCc1ccccc1 ZINC000014797559 526864228 /nfs/dbraw/zinc/86/42/28/526864228.db2.gz OTTYCURYFSYNNC-QFIPXVFZSA-N 0 0 445.523 2.663 50 0 IFAARN O=C(c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCOCC1 ZINC000009663730 526865725 /nfs/dbraw/zinc/86/57/25/526865725.db2.gz NVRNCFQKIHRFPA-UHFFFAOYSA-N 0 0 432.455 2.799 50 0 IFAARN O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(c2ncccn2)CC1 ZINC000012688740 526865924 /nfs/dbraw/zinc/86/59/24/526865924.db2.gz FWDYSWMSGNKYGU-UHFFFAOYSA-N 0 0 425.496 2.746 50 0 IFAARN Cc1nc(CNC(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)cs1 ZINC000011880101 526884416 /nfs/dbraw/zinc/88/44/16/526884416.db2.gz FAAOTRATBHZBPC-UHFFFAOYSA-N 0 0 443.978 2.838 50 0 IFAARN NC(=O)CSc1ccccc1NCC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000012532982 526900406 /nfs/dbraw/zinc/90/04/06/526900406.db2.gz HRLYXHRYHHMADQ-UHFFFAOYSA-N 0 0 426.542 2.987 50 0 IFAARN NC(=O)CSc1nnc(SCc2nnc(-c3ccc(Br)o3)o2)s1 ZINC000021370877 526902589 /nfs/dbraw/zinc/90/25/89/526902589.db2.gz SXAMOHMCWIUYFV-UHFFFAOYSA-N 0 0 434.322 2.813 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012787591 526951711 /nfs/dbraw/zinc/95/17/11/526951711.db2.gz GLSCOCPCYRZZKF-UHFFFAOYSA-N 0 0 430.860 2.530 50 0 IFAARN O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009663950 526962988 /nfs/dbraw/zinc/96/29/88/526962988.db2.gz KHSONSVMBHTJDG-UHFFFAOYSA-N 0 0 443.525 2.615 50 0 IFAARN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000012229146 526971330 /nfs/dbraw/zinc/97/13/30/526971330.db2.gz MVWVOAGLGMOJOM-UHFFFAOYSA-N 0 0 442.850 2.741 50 0 IFAARN NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000035351357 526984640 /nfs/dbraw/zinc/98/46/40/526984640.db2.gz ONQQOQNKAFBQKL-MOPGFXCFSA-N 0 0 434.521 2.931 50 0 IFAARN NC(=O)[C@H]1CCCN(C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)C1 ZINC000024146531 527002726 /nfs/dbraw/zinc/00/27/26/527002726.db2.gz GWWUVHUVVVAMOI-HNNXBMFYSA-N 0 0 441.582 2.736 50 0 IFAARN NC(=O)[C@H]1CN(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc2O1 ZINC000012549777 527012301 /nfs/dbraw/zinc/01/23/01/527012301.db2.gz WXZKFZYJZLRXEY-DNVCBOLYSA-N 0 0 436.537 2.755 50 0 IFAARN O=C1COc2ccc(S(=O)(=O)NC3(c4ccc5c(c4)OCCO5)CCCC3)cc2N1 ZINC000012809028 527015682 /nfs/dbraw/zinc/01/56/82/527015682.db2.gz QAFMYDFFCXRZFA-UHFFFAOYSA-N 0 0 430.482 2.537 50 0 IFAARN Cn1c(=O)c2c(nc1N1CCN(C(=O)c3ccccc3F)CC1)sc1c2CCCC1 ZINC000012389716 527025503 /nfs/dbraw/zinc/02/55/03/527025503.db2.gz MEPULMNOYGHBHK-UHFFFAOYSA-N 0 0 426.517 2.975 50 0 IFAARN Cn1c(=O)c2ccc(-c3cccs3)nc2n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000023137924 527027467 /nfs/dbraw/zinc/02/74/67/527027467.db2.gz YULOWJPTLQRVKT-UHFFFAOYSA-N 0 0 433.537 2.812 50 0 IFAARN NC(=O)c1cc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)cc(C(N)=O)c1 ZINC000012549911 527029560 /nfs/dbraw/zinc/02/95/60/527029560.db2.gz YCVQMIWBJLRQJC-UHFFFAOYSA-N 0 0 430.486 2.878 50 0 IFAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccccc4Cl)C3)ccc21 ZINC000020327328 527038252 /nfs/dbraw/zinc/03/82/52/527038252.db2.gz ADEQXQGTVGVSHV-CYBMUJFWSA-N 0 0 449.916 2.824 50 0 IFAARN NC(=O)c1ccc(C(F)(F)F)n(CC(=O)Nc2ccccc2OCC(F)(F)F)c1=O ZINC000012736052 527044176 /nfs/dbraw/zinc/04/41/76/527044176.db2.gz SOOBKSORVHFGDP-UHFFFAOYSA-N 0 0 437.296 2.546 50 0 IFAARN Cn1c(CCC(=O)Nc2ccncc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012627503 527047681 /nfs/dbraw/zinc/04/76/81/527047681.db2.gz VHQMIZNFNHFHOD-UHFFFAOYSA-N 0 0 427.530 2.714 50 0 IFAARN Cn1c(CCN2CCOCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000020518109 527049070 /nfs/dbraw/zinc/04/90/70/527049070.db2.gz HWFMZSNDFZSHNW-UHFFFAOYSA-N 0 0 434.949 2.902 50 0 IFAARN O=C(CSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n21)NCc1nc2ccccc2[nH]1 ZINC000021911257 527051320 /nfs/dbraw/zinc/05/13/20/527051320.db2.gz OMQHMXNOUKWJKJ-UHFFFAOYSA-N 0 0 449.471 2.509 50 0 IFAARN O=C(CSc1nc(CN2CCOCC2)nc2ccccc21)NC(=O)Nc1ccccc1 ZINC000022188447 527055679 /nfs/dbraw/zinc/05/56/79/527055679.db2.gz HAXXMSOJAVEZQV-UHFFFAOYSA-N 0 0 437.525 2.902 50 0 IFAARN O=C(CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2)NC[C@@H]1CCCO1 ZINC000017179014 527057782 /nfs/dbraw/zinc/05/77/82/527057782.db2.gz FKQULGFYINJQRH-INIZCTEOSA-N 0 0 431.583 2.522 50 0 IFAARN Cn1c(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)nc2ccccc21 ZINC000012540394 527059904 /nfs/dbraw/zinc/05/99/04/527059904.db2.gz COPKWKASDMEMCB-VWLOTQADSA-N 0 0 441.491 2.810 50 0 IFAARN O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000022803335 527060206 /nfs/dbraw/zinc/06/02/06/527060206.db2.gz MFDFXSKLLVNCMY-UHFFFAOYSA-N 0 0 434.968 2.939 50 0 IFAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NCc1nnc2ccccn21 ZINC000022615750 527078996 /nfs/dbraw/zinc/07/89/96/527078996.db2.gz AVEWMPYXWLBPSG-UHFFFAOYSA-N 0 0 442.508 2.781 50 0 IFAARN Cn1c(SCC(=O)NCCc2ccccc2)ncc(C(=O)Nc2ccc(F)cc2)c1=O ZINC000012236835 527082435 /nfs/dbraw/zinc/08/24/35/527082435.db2.gz HINGGQOUJFWGCK-UHFFFAOYSA-N 0 0 440.500 2.623 50 0 IFAARN O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1CN1CCN(CCOc2ccccc2)CC1 ZINC000023258020 527084637 /nfs/dbraw/zinc/08/46/37/527084637.db2.gz JBODALILMHIUFN-AREMUKBSSA-N 0 0 448.567 2.814 50 0 IFAARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000012855475 527085329 /nfs/dbraw/zinc/08/53/29/527085329.db2.gz RVRPFCIZAQLDHU-ZUOKHONESA-N 0 0 437.279 2.963 50 0 IFAARN O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)N1CCc2ccccc2C1 ZINC000012553472 527086741 /nfs/dbraw/zinc/08/67/41/527086741.db2.gz YREWEFATFUBOGX-UHFFFAOYSA-N 0 0 435.553 2.781 50 0 IFAARN O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1ccco1 ZINC000012374879 527087574 /nfs/dbraw/zinc/08/75/74/527087574.db2.gz YHEJQEMBXIXYIJ-AWEZNQCLSA-N 0 0 437.252 2.923 50 0 IFAARN O=C(CSc1nncn1Cc1ccco1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000022193993 527091206 /nfs/dbraw/zinc/09/12/06/527091206.db2.gz ZGYMFBPAOQDCDV-UHFFFAOYSA-N 0 0 428.442 2.647 50 0 IFAARN Cn1c2c(c(=O)n(C)c1=O)n(Cc1ccccc1F)c1nnc(-c3ccc(Cl)cc3)n12 ZINC000010968991 527091531 /nfs/dbraw/zinc/09/15/31/527091531.db2.gz AQZRJIBYAGRXDX-UHFFFAOYSA-N 0 0 438.850 2.589 50 0 IFAARN O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc2c(c1)OCCO2 ZINC000020745474 527101922 /nfs/dbraw/zinc/10/19/22/527101922.db2.gz WSYFVLUWVGWBDJ-CQSZACIVSA-N 0 0 425.832 2.892 50 0 IFAARN NC(=O)c1nn(CC(=O)Oc2ccc(Br)cc2Cl)c(=O)c2ccccc21 ZINC000022397666 527104566 /nfs/dbraw/zinc/10/45/66/527104566.db2.gz PYABDKMAUKYMHV-UHFFFAOYSA-N 0 0 436.649 2.517 50 0 IFAARN Cn1c2ccccc2c(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)c1-c1ccccc1 ZINC000022783148 527109386 /nfs/dbraw/zinc/10/93/86/527109386.db2.gz BFKQZFJUBSFMOR-UHFFFAOYSA-N 0 0 430.552 2.924 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)[C@H]1CC=CCC1 ZINC000012527494 527129896 /nfs/dbraw/zinc/12/98/96/527129896.db2.gz HZCVPYIQEHQNGX-ROUUACIJSA-N 0 0 449.573 2.593 50 0 IFAARN Cn1cc(-c2cc3n(n2)CCCN3C(=O)CCC(=O)NC[C@@H]2CCCO2)c2ccccc21 ZINC000021881274 527132376 /nfs/dbraw/zinc/13/23/76/527132376.db2.gz CBUORDVLRHRJCT-KRWDZBQOSA-N 0 0 435.528 2.854 50 0 IFAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1 ZINC000020308071 527137694 /nfs/dbraw/zinc/13/76/94/527137694.db2.gz UHZBYTRTPJAJCO-HXUWFJFHSA-N 0 0 426.419 2.949 50 0 IFAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1CCN1CCOCC1 ZINC000020308077 527138454 /nfs/dbraw/zinc/13/84/54/527138454.db2.gz XXPVEFJOZPRZCS-HXUWFJFHSA-N 0 0 426.419 2.949 50 0 IFAARN O=C(Nc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000020623909 527169289 /nfs/dbraw/zinc/16/92/89/527169289.db2.gz PMGBMEOIKNRSLK-HXUWFJFHSA-N 0 0 443.569 2.558 50 0 IFAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)Nc1nccs1 ZINC000012233426 527181061 /nfs/dbraw/zinc/18/10/61/527181061.db2.gz WYAULMXDSRORSX-LBPRGKRZSA-N 0 0 428.474 2.853 50 0 IFAARN O=S(=O)(N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1)N1CCCCCC1 ZINC000021415653 527204684 /nfs/dbraw/zinc/20/46/84/527204684.db2.gz WDSYEDYTMSOMEL-UHFFFAOYSA-N 0 0 439.969 2.628 50 0 IFAARN O=S(=O)(N1CCN(Cc2ccc(F)cc2Br)CC1)N1CCCCCC1 ZINC000022547433 527205061 /nfs/dbraw/zinc/20/50/61/527205061.db2.gz ZMHSSOYHABFTRS-UHFFFAOYSA-N 0 0 434.375 2.827 50 0 IFAARN O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc(Br)s1 ZINC000012869977 527231560 /nfs/dbraw/zinc/23/15/60/527231560.db2.gz BUCYJPSFLZZKHX-UHFFFAOYSA-N 0 0 431.377 2.821 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cccc(C(F)(F)F)c1 ZINC000014429974 527244205 /nfs/dbraw/zinc/24/42/05/527244205.db2.gz VONIYZYVIUDFEV-UHFFFAOYSA-N 0 0 434.461 2.969 50 0 IFAARN O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(Br)c1 ZINC000012508008 527250360 /nfs/dbraw/zinc/25/03/60/527250360.db2.gz GMTMHVAIXZYQBY-UHFFFAOYSA-N 0 0 431.333 2.691 50 0 IFAARN O=C(Nc1ccc(Oc2ccccc2)cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000022376325 527251844 /nfs/dbraw/zinc/25/18/44/527251844.db2.gz YUTMJEAJZSJRLG-MRXNPFEDSA-N 0 0 427.482 2.583 50 0 IFAARN O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1 ZINC000012276895 527276879 /nfs/dbraw/zinc/27/68/79/527276879.db2.gz FHPNUHPNBWBWNB-UHFFFAOYSA-N 0 0 427.505 2.739 50 0 IFAARN Cc1ncc(CO)c2cc(C(=O)NC3=C[C@@H]4OCO[C@H]4C=C3)/c(=N/c3ccc(F)cc3)oc12 ZINC000020617614 527282551 /nfs/dbraw/zinc/28/25/51/527282551.db2.gz RINCQWLNQLKGFZ-SFEFRNSVSA-N 0 0 449.438 2.925 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000012599562 527284834 /nfs/dbraw/zinc/28/48/34/527284834.db2.gz HYIVNGJNAIXDHM-KRWDZBQOSA-N 0 0 432.498 2.558 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000012229880 527286319 /nfs/dbraw/zinc/28/63/19/527286319.db2.gz VVLLETYZUUBNPN-KRWDZBQOSA-N 0 0 439.493 2.933 50 0 IFAARN NS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)cc1Cl ZINC000012374587 527304812 /nfs/dbraw/zinc/30/48/12/527304812.db2.gz AUTNKQORQLQPBV-UHFFFAOYSA-N 0 0 430.313 2.730 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c1 ZINC000012550775 527320590 /nfs/dbraw/zinc/32/05/90/527320590.db2.gz AORHSSDLGMYWFG-UHFFFAOYSA-N 0 0 447.517 2.797 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)c1 ZINC000009544246 527321468 /nfs/dbraw/zinc/32/14/68/527321468.db2.gz LBHSMSQUKGMAAF-UHFFFAOYSA-N 0 0 429.483 2.596 50 0 IFAARN O=C(Nc1cccc(Cl)c1)c1nnc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)s1 ZINC000033263336 527343734 /nfs/dbraw/zinc/34/37/34/527343734.db2.gz WBVZTTMETRPIJA-LLVKDONJSA-N 0 0 433.921 2.575 50 0 IFAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000012934997 527347799 /nfs/dbraw/zinc/34/77/99/527347799.db2.gz LEFXBVYEUYQADD-UHFFFAOYSA-N 0 0 428.420 2.654 50 0 IFAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(SC(F)F)cc1 ZINC000012801541 527369400 /nfs/dbraw/zinc/36/94/00/527369400.db2.gz POBAVCIDANZRNI-UHFFFAOYSA-N 0 0 443.497 2.586 50 0 IFAARN O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1ccc2c(c1)OCCO2 ZINC000012237694 527398475 /nfs/dbraw/zinc/39/84/75/527398475.db2.gz AVJHTEYPHCEHOV-UHFFFAOYSA-N 0 0 437.843 2.646 50 0 IFAARN O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@H](C(=O)N3CCCCC3)C2)s1 ZINC000033263443 527400134 /nfs/dbraw/zinc/40/01/34/527400134.db2.gz QVVCIKKXBJNPGW-HNNXBMFYSA-N 0 0 427.530 2.655 50 0 IFAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)NC(=O)NCCC1=CCCCC1 ZINC000012748749 527401982 /nfs/dbraw/zinc/40/19/82/527401982.db2.gz WJBZDQIKYLHTPB-UHFFFAOYSA-N 0 0 433.306 2.875 50 0 IFAARN O=C(Nc1ccnn1C1CCN(C(=O)c2cscn2)CC1)c1ccc2c(c1)OCO2 ZINC000012430077 527459911 /nfs/dbraw/zinc/45/99/11/527459911.db2.gz SJBJRLVUKWYPLU-UHFFFAOYSA-N 0 0 425.470 2.798 50 0 IFAARN O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2sc3c(n21)CCCC3 ZINC000021762969 527477521 /nfs/dbraw/zinc/47/75/21/527477521.db2.gz AXBNMOUWTQEOCN-UHFFFAOYSA-N 0 0 438.553 2.681 50 0 IFAARN O=C(NC1CC1)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1 ZINC000035558266 527486564 /nfs/dbraw/zinc/48/65/64/527486564.db2.gz TXVUKDYDLVIFSC-UHFFFAOYSA-N 0 0 436.559 2.745 50 0 IFAARN Cn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4ccc(Cl)cc4s3)C2)c1 ZINC000021030945 527486808 /nfs/dbraw/zinc/48/68/08/527486808.db2.gz FUCWHMITZVWTSJ-NSHDSACASA-N 0 0 439.950 2.723 50 0 IFAARN O=C(NC1CCCC1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000035807636 527507480 /nfs/dbraw/zinc/50/74/80/527507480.db2.gz SAPRKDGLPXUFSO-DNQXCXABSA-N 0 0 430.552 2.969 50 0 IFAARN Cc1nn(-c2ccc(Br)cc2)cc1-c1noc(C(=O)NC[C@@H]2CCCO2)n1 ZINC000020946695 527519778 /nfs/dbraw/zinc/51/97/78/527519778.db2.gz VIWFQRRJMLJYGB-AWEZNQCLSA-N 0 0 432.278 2.902 50 0 IFAARN Nc1cccc2c1C(=O)N(CN1CCN(c3ncc(C(F)(F)F)cc3Cl)CC1)C2=O ZINC000023990252 527521894 /nfs/dbraw/zinc/52/18/94/527521894.db2.gz BLUYVDSPJQVADP-UHFFFAOYSA-N 0 0 439.825 2.712 50 0 IFAARN O=C(Nc1nncs1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016488936 527539370 /nfs/dbraw/zinc/53/93/70/527539370.db2.gz OAOKUOZDYGSPAI-UHFFFAOYSA-N 0 0 428.539 2.899 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000035349131 527539963 /nfs/dbraw/zinc/53/99/63/527539963.db2.gz FDSVQBYOIURSDC-UHFFFAOYSA-N 0 0 437.588 2.578 50 0 IFAARN Nn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012695941 527582474 /nfs/dbraw/zinc/58/24/74/527582474.db2.gz HJMDZPXAMRWGDY-UHFFFAOYSA-N 0 0 445.508 2.636 50 0 IFAARN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000012908650 527606383 /nfs/dbraw/zinc/60/63/83/527606383.db2.gz QPJZMGPJZRUYKK-GSXXRBPTSA-N 0 0 444.578 2.869 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 ZINC000042379825 527620902 /nfs/dbraw/zinc/62/09/02/527620902.db2.gz RBVZSZAVOJVQHE-VMPITWQZSA-N 0 0 447.426 2.868 50 0 IFAARN Cc1nn(C)c2ncc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3C(F)(F)F)cc12 ZINC000012798969 527686483 /nfs/dbraw/zinc/68/64/83/527686483.db2.gz OWJNKUZVSAJIHT-LLVKDONJSA-N 0 0 441.435 2.601 50 0 IFAARN Cc1nn(C)cc1CN1CCN(C(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)CC1 ZINC000022486121 527692133 /nfs/dbraw/zinc/69/21/33/527692133.db2.gz IZGSRAVHWRNHML-UHFFFAOYSA-N 0 0 432.878 2.640 50 0 IFAARN Cc1nn(CC(=O)NCCC(C)C)c(=O)c2c1nn(-c1ccc(F)cc1)c2-n1cccc1 ZINC000033058072 527701945 /nfs/dbraw/zinc/70/19/45/527701945.db2.gz ATXKCKCSOKVROS-UHFFFAOYSA-N 0 0 436.491 2.983 50 0 IFAARN CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1=O ZINC000004766382 535146779 /nfs/dbraw/zinc/14/67/79/535146779.db2.gz OUWRPDXWESMEMH-UHFFFAOYSA-N 0 0 438.503 2.982 50 0 IFAARN CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cn2)cc1 ZINC000013809119 535691633 /nfs/dbraw/zinc/69/16/33/535691633.db2.gz UUGUEGMSKAQVJS-UHFFFAOYSA-N 0 0 436.487 2.797 50 0 IFAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O ZINC000009539415 535770672 /nfs/dbraw/zinc/77/06/72/535770672.db2.gz KTNDNSBYCPARQG-XMMPIXPASA-N 0 0 436.512 2.709 50 0 IFAARN CCc1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(C)=O)CC2)cc1 ZINC000006134928 536191529 /nfs/dbraw/zinc/19/15/29/536191529.db2.gz HCLPJBMGIDFFLM-UHFFFAOYSA-N 0 0 439.512 2.722 50 0 IFAARN COC(=O)C[C@H]1COc2ccccc2N1S(=O)(=O)c1ccc(Br)cc1 ZINC000008782167 536355542 /nfs/dbraw/zinc/35/55/42/536355542.db2.gz JUNQRVKWVBKDKX-ZDUSSCGKSA-N 0 0 426.288 2.969 50 0 IFAARN COc1ccc(N2CCCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1 ZINC000004039517 536674209 /nfs/dbraw/zinc/67/42/09/536674209.db2.gz MDKRNBZAPXYPON-UHFFFAOYSA-N 0 0 431.496 2.690 50 0 IFAARN COc1cc(C2=NO[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc(OC)c1OC ZINC000004904530 536721080 /nfs/dbraw/zinc/72/10/80/536721080.db2.gz UQTYFSAXXQYGND-OAQYLSRUSA-N 0 0 425.485 2.554 50 0 IFAARN COc1ccccc1CC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 ZINC000013665143 537016763 /nfs/dbraw/zinc/01/67/63/537016763.db2.gz CIUJEXAZYJRYHJ-UHFFFAOYSA-N 0 0 432.480 2.772 50 0 IFAARN COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000004787641 537063648 /nfs/dbraw/zinc/06/36/48/537063648.db2.gz QNURVLBBTSMEKL-UHFFFAOYSA-N 0 0 449.598 2.506 50 0 IFAARN COc1ccccc1N1CCN(C(=O)C[C@H]2CSc3nc(C(C)C)cc(=O)n32)CC1 ZINC000011613538 537065368 /nfs/dbraw/zinc/06/53/68/537065368.db2.gz PUGSZONDJWHINO-INIZCTEOSA-N 0 0 428.558 2.761 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)CC1 ZINC000009862231 537065527 /nfs/dbraw/zinc/06/55/27/537065527.db2.gz ZRTFFYUYKIXTOP-HNNXBMFYSA-N 0 0 449.602 2.579 50 0 IFAARN COc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCc4ccccc43)s2)c1 ZINC000008588099 537088334 /nfs/dbraw/zinc/08/83/34/537088334.db2.gz WQTAGWXBZQYUAO-UHFFFAOYSA-N 0 0 430.511 2.941 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4ccno4)cc3OC)CC2)c1 ZINC000008607759 537124440 /nfs/dbraw/zinc/12/44/40/537124440.db2.gz YFQNUOMEDLAYEM-UHFFFAOYSA-N 0 0 429.498 2.870 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CCc2c(C)nc3ncnn3c2C)ccc1C ZINC000009127960 555509697 /nfs/dbraw/zinc/50/96/97/555509697.db2.gz FLMDQMLKCJPIHX-UHFFFAOYSA-N 0 0 444.561 2.651 50 0 IFAARN COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000654048 555524104 /nfs/dbraw/zinc/52/41/04/555524104.db2.gz XRIVPGYPCNWNMS-UHFFFAOYSA-N 0 0 445.541 2.908 50 0 IFAARN COc1ccc(C)cc1N(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(C)cc1 ZINC000000656273 555525038 /nfs/dbraw/zinc/52/50/38/555525038.db2.gz AGVAGPVJJWSUGG-GOSISDBHSA-N 0 0 432.542 2.803 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2cccc(Cl)c2)cc1 ZINC000000665430 555528305 /nfs/dbraw/zinc/52/83/05/555528305.db2.gz VZENMPRBGKWMQL-SFHVURJKSA-N 0 0 438.933 2.839 50 0 IFAARN COc1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2NC(=O)COc2ccc(OC)cc2)cc1 ZINC000000676661 555534937 /nfs/dbraw/zinc/53/49/37/555534937.db2.gz DARHGKCPOYAWFW-FGZHOGPDSA-N 0 0 442.512 2.705 50 0 IFAARN O=C(NC(=S)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccco1 ZINC000000677151 555535525 /nfs/dbraw/zinc/53/55/25/555535525.db2.gz GKCLYNUVVACMIB-UHFFFAOYSA-N 0 0 429.523 2.927 50 0 IFAARN Cc1c(NC(=S)NC(=O)c2cncc(Br)c2)c(=O)n(-c2ccccc2)n1C ZINC000000678415 555536047 /nfs/dbraw/zinc/53/60/47/555536047.db2.gz TYZKKKJLRKFLAD-UHFFFAOYSA-N 0 0 446.330 2.769 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000000693383 555542331 /nfs/dbraw/zinc/54/23/31/555542331.db2.gz FFNOISLMCFDMHP-JKALPCAWSA-N 0 0 438.480 2.643 50 0 IFAARN COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)c1OC ZINC000000715177 555548578 /nfs/dbraw/zinc/54/85/78/555548578.db2.gz MWWPLZWCFPJMRL-LJQANCHMSA-N 0 0 426.425 2.804 50 0 IFAARN COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)c1OC ZINC000000715178 555548624 /nfs/dbraw/zinc/54/86/24/555548624.db2.gz MWWPLZWCFPJMRL-IBGZPJMESA-N 0 0 426.425 2.804 50 0 IFAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(NC(=O)c2ccc(Cl)cc2)C1=S ZINC000000720863 555550172 /nfs/dbraw/zinc/55/01/72/555550172.db2.gz RMHWWLOVBNOWCC-INIZCTEOSA-N 0 0 448.907 2.970 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000728854 555552233 /nfs/dbraw/zinc/55/22/33/555552233.db2.gz MJWRRXDSLOSKDR-CNSVBDKNSA-N 0 0 434.517 2.725 50 0 IFAARN NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)CC1 ZINC000000752784 555553525 /nfs/dbraw/zinc/55/35/25/555553525.db2.gz RFXXBWKZFOKANN-UHFFFAOYSA-N 0 0 435.459 2.601 50 0 IFAARN COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000000783867 555555560 /nfs/dbraw/zinc/55/55/60/555555560.db2.gz ZXVDAIYAVPNMGX-UHFFFAOYSA-N 0 0 432.498 2.521 50 0 IFAARN CC[C@@H](OC(=O)c1cc(C)nc2ccccc21)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000781751 555555597 /nfs/dbraw/zinc/55/55/97/555555597.db2.gz ZQZGCRWOTGTEOC-LJQANCHMSA-N 0 0 427.482 2.765 50 0 IFAARN CC[C@H](OC(=O)c1cc(C)nc2ccccc21)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000781750 555555613 /nfs/dbraw/zinc/55/56/13/555555613.db2.gz ZQZGCRWOTGTEOC-IBGZPJMESA-N 0 0 427.482 2.765 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)cc3OC)CC2)cc1 ZINC000000783992 555555824 /nfs/dbraw/zinc/55/58/24/555555824.db2.gz UHLTYVZBBLUADP-UHFFFAOYSA-N 0 0 434.514 2.752 50 0 IFAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000000784364 555556105 /nfs/dbraw/zinc/55/61/05/555556105.db2.gz LAPHLDSHTUMUBG-UHFFFAOYSA-N 0 0 426.878 2.525 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 ZINC000000785733 555556396 /nfs/dbraw/zinc/55/63/96/555556396.db2.gz BWEUHDUWBWZSGN-UHFFFAOYSA-N 0 0 448.516 2.823 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)cc1)c1ccccc1 ZINC000000802368 555559420 /nfs/dbraw/zinc/55/94/20/555559420.db2.gz GUUSOCKGMLEOAC-QGZVFWFLSA-N 0 0 425.510 2.816 50 0 IFAARN CCOc1ccccc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1 ZINC000000803352 555559660 /nfs/dbraw/zinc/55/96/60/555559660.db2.gz SWKYPDFEBFTXGT-UHFFFAOYSA-N 0 0 425.510 2.992 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1OC ZINC000000806878 555560006 /nfs/dbraw/zinc/56/00/06/555560006.db2.gz GJHJRHRMLABGLU-UHFFFAOYSA-N 0 0 432.542 2.729 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)cc1 ZINC000000813929 555561143 /nfs/dbraw/zinc/56/11/43/555561143.db2.gz GAFPJUWDWXJYAK-UHFFFAOYSA-N 0 0 425.510 2.598 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1 ZINC000000814000 555561235 /nfs/dbraw/zinc/56/12/35/555561235.db2.gz XUKNUZWNTRJKHR-UHFFFAOYSA-N 0 0 425.510 2.598 50 0 IFAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000000815619 555561821 /nfs/dbraw/zinc/56/18/21/555561821.db2.gz XTGDGWQSXVGNRL-IBGZPJMESA-N 0 0 445.541 2.991 50 0 IFAARN CCOc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000832100 555566396 /nfs/dbraw/zinc/56/63/96/555566396.db2.gz YZZLSNFEDVDLLR-UHFFFAOYSA-N 0 0 425.510 2.992 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)cc1OC ZINC000000857047 555571422 /nfs/dbraw/zinc/57/14/22/555571422.db2.gz ZHQUGXSFMPZXBE-UHFFFAOYSA-N 0 0 432.542 2.954 50 0 IFAARN CCOC(=O)C1=C(COC(=O)C=Cc2cc(Br)ccc2F)NC(=O)N[C@H]1C ZINC000009467166 555575937 /nfs/dbraw/zinc/57/59/37/555575937.db2.gz ZUNMKRODPVPJAK-QBBOHKLWSA-N 0 0 441.253 2.663 50 0 IFAARN Cc1c(NS(=O)(=O)c2cccc(NC(=O)C3CC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000009549008 555580336 /nfs/dbraw/zinc/58/03/36/555580336.db2.gz WJWPUFLGRXMKCC-UHFFFAOYSA-N 0 0 426.498 2.634 50 0 IFAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000000909798 555582284 /nfs/dbraw/zinc/58/22/84/555582284.db2.gz BFMCLDSCNXDABP-HXUWFJFHSA-N 0 0 427.457 2.988 50 0 IFAARN CCOc1cc([C@@H]2[C@@H](C(=O)OC(C)C)[C@](C)(O)CC(=O)[C@H]2C(=O)OC(C)C)ccc1O ZINC000001019482 555603414 /nfs/dbraw/zinc/60/34/14/555603414.db2.gz XECKZJRXQSHIAF-FAKFISEUSA-N 0 0 436.501 2.734 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnc(N(C)C)nc1C(F)(F)F ZINC000001028594 555604965 /nfs/dbraw/zinc/60/49/65/555604965.db2.gz IYHKECFIUFCWQT-UHFFFAOYSA-N 0 0 428.367 2.618 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc1 ZINC000001049582 555612639 /nfs/dbraw/zinc/61/26/39/555612639.db2.gz NIJNFADUQAGAHW-KRWDZBQOSA-N 0 0 446.525 2.830 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc1 ZINC000001049579 555612720 /nfs/dbraw/zinc/61/27/20/555612720.db2.gz NIJNFADUQAGAHW-QGZVFWFLSA-N 0 0 446.525 2.830 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000001059457 555615814 /nfs/dbraw/zinc/61/58/14/555615814.db2.gz KNGLOSBSDKNEBF-UHFFFAOYSA-N 0 0 441.509 2.532 50 0 IFAARN Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccccc1F ZINC000001062642 555616948 /nfs/dbraw/zinc/61/69/48/555616948.db2.gz GRXBRGLGYCIEID-UHFFFAOYSA-N 0 0 431.468 2.797 50 0 IFAARN O=S(=O)(N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000001062660 555617006 /nfs/dbraw/zinc/61/70/06/555617006.db2.gz HCBUFVLQTOCRFR-QZTJIDSGSA-N 0 0 430.498 2.533 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1I ZINC000001063481 555617211 /nfs/dbraw/zinc/61/72/11/555617211.db2.gz NPZKSNJJOOZFPB-UHFFFAOYSA-N 0 0 447.250 2.507 50 0 IFAARN O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009712304 555617265 /nfs/dbraw/zinc/61/72/65/555617265.db2.gz FAKOYARPCLDTFI-SFHVURJKSA-N 0 0 435.571 2.545 50 0 IFAARN COc1cccc(CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)c1 ZINC000001071605 555621527 /nfs/dbraw/zinc/62/15/27/555621527.db2.gz GFTAYAMKBDOSFC-UHFFFAOYSA-N 0 0 440.500 2.922 50 0 IFAARN CCN1C(=O)N[C@@H](c2cc(I)c(O)c(OC)c2)C(C(=O)OC)=C1C ZINC000001074539 555623169 /nfs/dbraw/zinc/62/31/69/555623169.db2.gz GQNNYLZUPVQPJZ-ZDUSSCGKSA-N 0 0 446.241 2.539 50 0 IFAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(I)ccc1OC ZINC000001074605 555623277 /nfs/dbraw/zinc/62/32/77/555623277.db2.gz FNQKGFOASXCXPA-CYBMUJFWSA-N 0 0 432.283 2.656 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(C)(=O)=O)cc1Cl ZINC000001119502 555636692 /nfs/dbraw/zinc/63/66/92/555636692.db2.gz BIBRIADTLQQRGP-UHFFFAOYSA-N 0 0 425.894 2.712 50 0 IFAARN CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2CC)cc1 ZINC000001122845 555638826 /nfs/dbraw/zinc/63/88/26/555638826.db2.gz VVHXNZBWIUINEX-UHFFFAOYSA-N 0 0 429.502 2.951 50 0 IFAARN Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(I)cn1 ZINC000001124244 555639568 /nfs/dbraw/zinc/63/95/68/555639568.db2.gz PCPXXEFKBWZELH-UHFFFAOYSA-N 0 0 427.267 2.887 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000001125176 555640149 /nfs/dbraw/zinc/64/01/49/555640149.db2.gz CVXUDRBMWIYFDE-UHFFFAOYSA-N 0 0 449.484 3.000 50 0 IFAARN Cn1c2nc(N3CCc4ccccc4C3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000001127268 555641633 /nfs/dbraw/zinc/64/16/33/555641633.db2.gz VMSXYDIKSQZPGZ-UHFFFAOYSA-N 0 0 435.915 2.698 50 0 IFAARN CCNC(=O)C[C@@H]1C(=O)N(c2ccc(C)cc2)C(=O)N1Cc1ccc(OC)c(OC)c1 ZINC000001127950 555642183 /nfs/dbraw/zinc/64/21/83/555642183.db2.gz XGEAEVRDBDLDAH-GOSISDBHSA-N 0 0 425.485 2.876 50 0 IFAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)NCCc1ccccc1 ZINC000001135420 555646879 /nfs/dbraw/zinc/64/68/79/555646879.db2.gz ANJHZDHYAAVFQM-UHFFFAOYSA-N 0 0 437.569 2.987 50 0 IFAARN CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)cc1 ZINC000001143568 555651563 /nfs/dbraw/zinc/65/15/63/555651563.db2.gz SZMXSIKCZNKTEU-UHFFFAOYSA-N 0 0 425.514 2.875 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2)cc1OC ZINC000001146201 555653534 /nfs/dbraw/zinc/65/35/34/555653534.db2.gz YNAXNJADLPNRJG-UHFFFAOYSA-N 0 0 443.319 2.726 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1OC ZINC000001156867 555659246 /nfs/dbraw/zinc/65/92/46/555659246.db2.gz ABGXWTVYBRZUEL-INIZCTEOSA-N 0 0 432.542 2.982 50 0 IFAARN O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br ZINC000001165659 555663774 /nfs/dbraw/zinc/66/37/74/555663774.db2.gz AHIUQXWKMYPOGT-UHFFFAOYSA-N 0 0 425.304 2.722 50 0 IFAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NC1CC1 ZINC000001166475 555664334 /nfs/dbraw/zinc/66/43/34/555664334.db2.gz PITHESXTBZCVPF-UHFFFAOYSA-N 0 0 437.359 2.961 50 0 IFAARN Cc1cc(S(=O)(=O)c2ccc(Cl)cc2)c(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000001196978 555677250 /nfs/dbraw/zinc/67/72/50/555677250.db2.gz GKXQYROGJMLFDI-UHFFFAOYSA-N 0 0 429.947 2.811 50 0 IFAARN Cn1c2nc(Br)n(CCSc3nc4ccccc4s3)c2c(=O)[nH]c1=O ZINC000001287615 555689077 /nfs/dbraw/zinc/68/90/77/555689077.db2.gz CLOUHBWZPVLQHT-UHFFFAOYSA-N 0 0 438.332 2.588 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000009984252 555691170 /nfs/dbraw/zinc/69/11/70/555691170.db2.gz ZWWWDMFDSKQQPB-JLHYYAGUSA-N 0 0 428.510 2.744 50 0 IFAARN COc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(C)cc2)cc1OC ZINC000001440743 555697639 /nfs/dbraw/zinc/69/76/39/555697639.db2.gz FGTMQFUDBNQMBU-UHFFFAOYSA-N 0 0 445.479 2.668 50 0 IFAARN O=C(NCCS(=O)(=O)Cc1cc2cccc3c2n(c1=O)CCC3)c1cccc(Cl)c1 ZINC000001741403 555711833 /nfs/dbraw/zinc/71/18/33/555711833.db2.gz FATQFAZQBDPGBZ-UHFFFAOYSA-N 0 0 444.940 2.946 50 0 IFAARN Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CCN(C(=O)NC(C)(C)C)C2 ZINC000071889579 555725753 /nfs/dbraw/zinc/72/57/53/555725753.db2.gz UVFANNKCAIKSRN-UHFFFAOYSA-N 0 0 438.454 2.734 50 0 IFAARN CCN1C(=O)N[C@@H](c2ccccc2I)C(C(=O)OCCOC)=C1C ZINC000002062508 555732530 /nfs/dbraw/zinc/73/25/30/555732530.db2.gz WIGZMOMYISHOEW-HNNXBMFYSA-N 0 0 444.269 2.841 50 0 IFAARN COC(=O)CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000002135595 555747300 /nfs/dbraw/zinc/74/73/00/555747300.db2.gz VNGNXYUNZYSBGK-UHFFFAOYSA-N 0 0 449.554 2.870 50 0 IFAARN COc1ccc(C(=O)Oc2c(OC)cc(C(=S)N3CCOCC3)cc2OC)cc1OC ZINC000002142415 555748481 /nfs/dbraw/zinc/74/84/81/555748481.db2.gz CHNKPTCDWULZEZ-UHFFFAOYSA-N 0 0 447.509 2.948 50 0 IFAARN COc1ccc(-c2nc3c(c(SCC(=O)N4CCOCC4)n2)COC(C)(C)C3)cc1 ZINC000002391025 555775158 /nfs/dbraw/zinc/77/51/58/555775158.db2.gz PPUNTEIBFUPKSE-UHFFFAOYSA-N 0 0 429.542 2.954 50 0 IFAARN COc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(OC)cc1Br ZINC000002497761 555784588 /nfs/dbraw/zinc/78/45/88/555784588.db2.gz XCAGRCVEEZCJDN-UHFFFAOYSA-N 0 0 430.276 2.674 50 0 IFAARN CCN1CCN(C(=O)c2csc(CN3CCN(c4cccc(Cl)c4)CC3)n2)CC1 ZINC000034669015 555792718 /nfs/dbraw/zinc/79/27/18/555792718.db2.gz SXGAVYPCSGSSOM-UHFFFAOYSA-N 0 0 434.009 2.896 50 0 IFAARN CC1CCN(c2nc(N3CCN(C)CC3)nc3c2CN(C(=O)c2cccs2)CC3)CC1 ZINC000034676714 555794619 /nfs/dbraw/zinc/79/46/19/555794619.db2.gz WYIZVLDQWVSMGT-UHFFFAOYSA-N 0 0 440.617 2.725 50 0 IFAARN Cc1ccc(NC(=O)c2coc(CN3CCN(C[C@H](O)COCC(C)C)CC3)n2)cc1F ZINC000034677460 555795606 /nfs/dbraw/zinc/79/56/06/555795606.db2.gz MZRBJCAWGGOHGB-IBGZPJMESA-N 0 0 448.539 2.526 50 0 IFAARN Cc1ccc(F)c(NC(=O)c2coc(CN3CCN(C[C@H](O)COCC(C)C)CC3)n2)c1 ZINC000034677330 555795814 /nfs/dbraw/zinc/79/58/14/555795814.db2.gz DNFUPCGGEGSPPR-SFHVURJKSA-N 0 0 448.539 2.526 50 0 IFAARN O=C(c1ccccc1)N1CCN(C[C@@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)CC1 ZINC000034686287 555801423 /nfs/dbraw/zinc/80/14/23/555801423.db2.gz BQNLSIXMQLPXFM-OAQYLSRUSA-N 0 0 442.560 2.681 50 0 IFAARN Cc1ccc(C(=O)N(CC2CC2)C[C@H]2CN(C[C@H](O)COCc3ccco3)CCO2)cc1 ZINC000034691688 555804687 /nfs/dbraw/zinc/80/46/87/555804687.db2.gz BDLNEFUNLKYOHH-LADGPHEKSA-N 0 0 442.556 2.719 50 0 IFAARN CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1cccc(OC)c1 ZINC000034693323 555806510 /nfs/dbraw/zinc/80/65/10/555806510.db2.gz PIMXYPQRTLYBPE-INIZCTEOSA-N 0 0 448.479 2.530 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2ccc(F)cc2F)n(-c2ccc(C)cc2)c1=O ZINC000034694000 555808887 /nfs/dbraw/zinc/80/88/87/555808887.db2.gz RDMMGIZHJRDXNS-UHFFFAOYSA-N 0 0 426.423 2.630 50 0 IFAARN Cc1cccc(OCC(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1 ZINC000002765284 555813719 /nfs/dbraw/zinc/81/37/19/555813719.db2.gz WPFSFGRCLAYLJV-UHFFFAOYSA-N 0 0 447.329 2.886 50 0 IFAARN COCC(=O)N1C[C@H](C(=O)NCc2ccccc2)C[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC000034709348 555823515 /nfs/dbraw/zinc/82/35/15/555823515.db2.gz DYSSTWZAVRQXJD-WOJBJXKFSA-N 0 0 426.513 2.599 50 0 IFAARN COc1ccc(CNC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1 ZINC000002835475 555832651 /nfs/dbraw/zinc/83/26/51/555832651.db2.gz GIYQASYSOXSJBG-UHFFFAOYSA-N 0 0 425.514 2.858 50 0 IFAARN COC(=O)c1cccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1C ZINC000002856981 555842026 /nfs/dbraw/zinc/84/20/26/555842026.db2.gz SVVMWOUIGIVHEH-UHFFFAOYSA-N 0 0 440.905 2.848 50 0 IFAARN CC(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000002859075 555843217 /nfs/dbraw/zinc/84/32/17/555843217.db2.gz QKWCINLKZOOXFS-LLVKDONJSA-N 0 0 425.304 2.957 50 0 IFAARN C[C@H](NC(=O)CSc1nnc(CNC(=O)c2ccc(F)cc2)n1C)c1ccccc1 ZINC000002861334 555844751 /nfs/dbraw/zinc/84/47/51/555844751.db2.gz SFAZQGRRNKTUIF-AWEZNQCLSA-N 0 0 427.505 2.854 50 0 IFAARN COc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1 ZINC000002871660 555850019 /nfs/dbraw/zinc/85/00/19/555850019.db2.gz SGJXTHKHYAYUAV-GFCCVEGCSA-N 0 0 446.558 2.810 50 0 IFAARN COc1ccc(CCNC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C)cc1OC ZINC000002874407 555851336 /nfs/dbraw/zinc/85/13/36/555851336.db2.gz DCFAZVDOHYHSNQ-AWEZNQCLSA-N 0 0 427.526 2.790 50 0 IFAARN COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000002887836 555858674 /nfs/dbraw/zinc/85/86/74/555858674.db2.gz DWHNVSRKYAOPHK-UHFFFAOYSA-N 0 0 446.525 2.830 50 0 IFAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCCCO ZINC000002976134 555870016 /nfs/dbraw/zinc/87/00/16/555870016.db2.gz TVEMLKYOOASETA-UHFFFAOYSA-N 0 0 431.341 2.683 50 0 IFAARN COC(=O)c1cc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(C(=O)OC)c1 ZINC000002993266 555875724 /nfs/dbraw/zinc/87/57/24/555875724.db2.gz LIMQSRYYTCBAKB-VOTSOKGWSA-N 0 0 429.425 2.938 50 0 IFAARN Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)c3n[nH]c4ccccc43)CC2)no1 ZINC000071892593 555886687 /nfs/dbraw/zinc/88/66/87/555886687.db2.gz BAJCMEQZOVKVPX-JOCHJYFZSA-N 0 0 444.495 2.997 50 0 IFAARN Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)c3n[nH]c4ccccc43)CC2)no1 ZINC000071892595 555886707 /nfs/dbraw/zinc/88/67/07/555886707.db2.gz BAJCMEQZOVKVPX-QFIPXVFZSA-N 0 0 444.495 2.997 50 0 IFAARN CN1OC[C@@H](S(=O)(=O)N2CCSCC2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000034738995 555890819 /nfs/dbraw/zinc/89/08/19/555890819.db2.gz DJXQFPJWUAXPAG-RTWAWAEBSA-N 0 0 434.583 2.931 50 0 IFAARN Cc1cccc(CC(=O)N2CCc3[nH]nc(C(=O)N4CCN(c5ccccc5)CC4)c3C2)c1 ZINC000034809636 555908222 /nfs/dbraw/zinc/90/82/22/555908222.db2.gz MXKOSDYKAGOFRE-UHFFFAOYSA-N 0 0 443.551 2.808 50 0 IFAARN COc1ccc(CCNC(=O)c2[nH]nc3c2CN(C(=O)Cc2ccccc2F)CC3)cc1 ZINC000034831991 555912706 /nfs/dbraw/zinc/91/27/06/555912706.db2.gz VYCKRTLAKQMNKH-UHFFFAOYSA-N 0 0 436.487 2.657 50 0 IFAARN CCOC(=O)N1CCN(C(=O)COc2ccc3c(C(C)C)cc(=O)n(CC)c3c2)CC1 ZINC000034836131 555914292 /nfs/dbraw/zinc/91/42/92/555914292.db2.gz HYQPKDROVHFVTD-UHFFFAOYSA-N 0 0 429.517 2.824 50 0 IFAARN O=C(CN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)C2CC2)CC1 ZINC000034788261 555916045 /nfs/dbraw/zinc/91/60/45/555916045.db2.gz URFLYLYOFXTLNF-QFIPXVFZSA-N 0 0 427.545 2.916 50 0 IFAARN COc1cccc(C(=O)N2CCc3[nH]nc(C(=O)N4CCN(c5ccccc5)CC4)c3C2)c1 ZINC000034790153 555916233 /nfs/dbraw/zinc/91/62/33/555916233.db2.gz YHTUEHIZVAGBMJ-UHFFFAOYSA-N 0 0 445.523 2.579 50 0 IFAARN CN1C2=C(C(=O)N(CC(=O)NCc3ccc(F)cc3)C2)[C@H](c2ccccc2Cl)NC1=O ZINC000034792826 555916608 /nfs/dbraw/zinc/91/66/08/555916608.db2.gz BCYBIUOGULRGFP-FQEVSTJZSA-N 0 0 442.878 2.588 50 0 IFAARN COCC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(OC)cc1 ZINC000034855620 555924322 /nfs/dbraw/zinc/92/43/22/555924322.db2.gz MZRXUTUVUULZTI-UPCLLVRISA-N 0 0 428.529 2.963 50 0 IFAARN COCC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(OC)cc1 ZINC000034855622 555924349 /nfs/dbraw/zinc/92/43/49/555924349.db2.gz MZRXUTUVUULZTI-FYSMJZIKSA-N 0 0 428.529 2.963 50 0 IFAARN CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(OC)cc2)C1 ZINC000034899958 555928949 /nfs/dbraw/zinc/92/89/49/555928949.db2.gz UEACOSLKGHRFRU-CEWLAPEOSA-N 0 0 429.561 2.891 50 0 IFAARN CC(C)(C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccco3)CC2)N1C(=O)c1ccccc1 ZINC000034920489 555931220 /nfs/dbraw/zinc/93/12/20/555931220.db2.gz YRJSBVNKXCAMCX-SFHVURJKSA-N 0 0 439.512 2.668 50 0 IFAARN CCN1CCN(C(=O)[C@H]2COC3(CCC(C)CC3)N2C(=O)c2cccc(OC)c2)CC1 ZINC000034921085 555931543 /nfs/dbraw/zinc/93/15/43/555931543.db2.gz IGRWYZRWXUHDOD-RUPGZQMFSA-N 0 0 429.561 2.607 50 0 IFAARN C[C@H](c1ccccc1)N1C(=S)N=NC1c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003529908 555938261 /nfs/dbraw/zinc/93/82/61/555938261.db2.gz ZBWNJENRSLIBSV-OAHLLOKOSA-N 0 0 430.555 2.864 50 0 IFAARN Cc1ccc(SCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1 ZINC000003766883 555946017 /nfs/dbraw/zinc/94/60/17/555946017.db2.gz MBUJVPPAJFAGSS-UHFFFAOYSA-N 0 0 435.553 2.995 50 0 IFAARN CCOC(=O)C(C=Nc1ccc(N=CC(C(=O)OCC)C(=O)OCC)cc1)C(=O)OCC ZINC000003880252 555950476 /nfs/dbraw/zinc/95/04/76/555950476.db2.gz LBJTXJHVTNBYDV-UHFFFAOYSA-N 0 0 448.472 2.531 50 0 IFAARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1F)C1C=CC2[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000004018782 555953188 /nfs/dbraw/zinc/95/31/88/555953188.db2.gz ZAOKSCPLTUYESP-UYSFSSGGSA-N 0 0 434.398 2.692 50 0 IFAARN COc1ccc(S(=O)(=O)N(c2cccc(C)n2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000004047394 555955218 /nfs/dbraw/zinc/95/52/18/555955218.db2.gz OXHNYZLPSGGPTP-UHFFFAOYSA-N 0 0 448.522 2.991 50 0 IFAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc(Br)c1O ZINC000004156465 555969142 /nfs/dbraw/zinc/96/91/42/555969142.db2.gz IPMQQBDJBJNGQA-CYBMUJFWSA-N 0 0 431.308 2.697 50 0 IFAARN c1ccc2c(c1)OCCOCCOCCOCCOc1ccccc1OCCOCCO2 ZINC000004262172 555980090 /nfs/dbraw/zinc/98/00/90/555980090.db2.gz XKPCSOGHEJMJHP-UHFFFAOYSA-N 0 0 448.512 2.982 50 0 IFAARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C ZINC000004536464 556000229 /nfs/dbraw/zinc/00/02/29/556000229.db2.gz SWPXBDJUGLEKES-WOJBJXKFSA-N 0 0 428.485 2.544 50 0 biogenic,in-vitro IFAARN COC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000005023220 556028857 /nfs/dbraw/zinc/02/88/57/556028857.db2.gz PJKOLNKWGPPYIW-LPHOPBHVSA-N 0 0 430.526 2.893 50 0 IFAARN CC(C)[C@H](NC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O ZINC000005062880 556031113 /nfs/dbraw/zinc/03/11/13/556031113.db2.gz ZAPMIDFJTRZCNZ-PMACEKPBSA-N 0 0 443.569 2.841 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(C)cc2)cc1 ZINC000006129409 556076775 /nfs/dbraw/zinc/07/67/75/556076775.db2.gz KSMRVFYWOXNFSK-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1 ZINC000006577755 556095578 /nfs/dbraw/zinc/09/55/78/556095578.db2.gz YJHKIGQEPRQZJF-HXUWFJFHSA-N 0 0 436.468 2.633 50 0 IFAARN Cc1cc(O[C@H](C)C(=O)NCCCN2CCCC2=O)c2c(c1)oc(=O)c1c2CCCC1 ZINC000006660023 556100530 /nfs/dbraw/zinc/10/05/30/556100530.db2.gz HCINKRVEEMPDML-MRXNPFEDSA-N 0 0 426.513 2.876 50 0 IFAARN COc1cc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)ccc1OC(C)=O ZINC000002702359 556122667 /nfs/dbraw/zinc/12/26/67/556122667.db2.gz AYALBCPHJURVFS-MFOYZWKCSA-N 0 0 427.869 2.953 50 0 IFAARN CCOC(=O)COc1cccc2c1ccn(CC(=O)Nc1cc(OC)ccc1OC)c2=O ZINC000002712233 556125380 /nfs/dbraw/zinc/12/53/80/556125380.db2.gz GFHBMWCHAOJPCT-UHFFFAOYSA-N 0 0 440.452 2.599 50 0 IFAARN CCOC(=O)[C@@H](C)Oc1cccc2c1ccn(CC(=O)Nc1ccc3c(c1)OCO3)c2=O ZINC000002712329 556125631 /nfs/dbraw/zinc/12/56/31/556125631.db2.gz NKIFXFAIBIOAQV-CQSZACIVSA-N 0 0 438.436 2.699 50 0 IFAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(F)cc1)N1CCOCC1 ZINC000002720846 556127359 /nfs/dbraw/zinc/12/73/59/556127359.db2.gz GKTOOJOXMQVZOL-UHFFFAOYSA-N 0 0 438.484 2.957 50 0 IFAARN O=C(CS(=O)(=O)c1cn(Cc2ccccc2Cl)c2ccccc12)N1CCOCC1 ZINC000002722283 556128288 /nfs/dbraw/zinc/12/82/88/556128288.db2.gz KUIVFVVUPKGYDB-UHFFFAOYSA-N 0 0 432.929 2.976 50 0 IFAARN COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)c1 ZINC000002723479 556128786 /nfs/dbraw/zinc/12/87/86/556128786.db2.gz OPGBMYJVSHVUIY-UHFFFAOYSA-N 0 0 428.470 2.782 50 0 IFAARN CC1(C)COCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 ZINC000002723569 556129129 /nfs/dbraw/zinc/12/91/29/556129129.db2.gz RBUFGHPPLWZKQJ-UHFFFAOYSA-N 0 0 434.499 2.807 50 0 IFAARN CCc1c(C)sc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c1C(N)=O ZINC000002762524 556135790 /nfs/dbraw/zinc/13/57/90/556135790.db2.gz RBSSEVSTZIBLPM-UHFFFAOYSA-N 0 0 436.342 2.924 50 0 IFAARN COc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2c1 ZINC000002785426 556138627 /nfs/dbraw/zinc/13/86/27/556138627.db2.gz BTNCAPUGLXFYAU-AWEZNQCLSA-N 0 0 442.493 2.781 50 0 IFAARN Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cc2ncc(Br)cn2n1 ZINC000002792761 556144728 /nfs/dbraw/zinc/14/47/28/556144728.db2.gz ZORYLHGFZKADSP-UHFFFAOYSA-N 0 0 431.216 2.836 50 0 IFAARN CCn1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)n1 ZINC000002794316 556145239 /nfs/dbraw/zinc/14/52/39/556145239.db2.gz FMDSZDSBYKLFKN-UHFFFAOYSA-N 0 0 431.345 2.924 50 0 IFAARN Cc1ccc(Cn2cc(N3C(=S)N=NC3Cn3nnc(-c4ccccc4)n3)cn2)cc1 ZINC000002808426 556146701 /nfs/dbraw/zinc/14/67/01/556146701.db2.gz XVYGZXYWIGXXAA-UHFFFAOYSA-N 0 0 429.513 2.811 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCSc1ccccc1 ZINC000010594142 556150678 /nfs/dbraw/zinc/15/06/78/556150678.db2.gz LIUJGNGHDVDEDO-UHFFFAOYSA-N 0 0 436.555 2.909 50 0 IFAARN O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCCC[NH+]1CCCCCC1 ZINC000002975216 556153206 /nfs/dbraw/zinc/15/32/06/556153206.db2.gz APPDSXRWOGZYTF-UHFFFAOYSA-N 0 0 446.573 2.950 50 0 IFAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)CS(=O)(=O)C2 ZINC000003008509 556154963 /nfs/dbraw/zinc/15/49/63/556154963.db2.gz ZQRPOKYDRIGTSO-UHFFFAOYSA-N 0 0 435.461 2.968 50 0 IFAARN CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 ZINC000008269580 556155509 /nfs/dbraw/zinc/15/55/09/556155509.db2.gz BWJVBODOTWUTSO-HNNXBMFYSA-N 0 0 425.485 2.835 50 0 IFAARN CCN(Cc1ccccc1)C(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000003007650 556156743 /nfs/dbraw/zinc/15/67/43/556156743.db2.gz XDLZNUYWPLPUAH-UHFFFAOYSA-N 0 0 433.508 2.732 50 0 IFAARN O=C(NCc1ccc(Cl)cc1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000003007711 556156756 /nfs/dbraw/zinc/15/67/56/556156756.db2.gz BHOUVFGUROKCDN-UHFFFAOYSA-N 0 0 439.899 2.653 50 0 IFAARN CCc1ccccc1NC(=O)C1=CC(c2ccc(OC)c(OC)c2)=NS(=O)(=O)N1C ZINC000008587773 556188301 /nfs/dbraw/zinc/18/83/01/556188301.db2.gz PWCFTPDXMSXFQS-UHFFFAOYSA-N 0 0 429.498 2.768 50 0 IFAARN CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(Br)s2)c1 ZINC000010601619 556198201 /nfs/dbraw/zinc/19/82/01/556198201.db2.gz AQXAIFMOZYMUIG-UHFFFAOYSA-N 0 0 432.317 2.849 50 0 IFAARN CCCOc1cc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)ccc1Br ZINC000008714713 556201784 /nfs/dbraw/zinc/20/17/84/556201784.db2.gz MRSQUJIYGNDRFH-UHFFFAOYSA-N 0 0 435.340 2.701 50 0 IFAARN COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2c(OC)cccc2OC)[C@H](C)C1 ZINC000008741801 556207026 /nfs/dbraw/zinc/20/70/26/556207026.db2.gz UJYYKKAGNDDXCJ-OAHLLOKOSA-N 0 0 428.485 2.708 50 0 IFAARN Cn1c2nc(NCCc3c[nH]c4ccccc34)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000008774929 556213879 /nfs/dbraw/zinc/21/38/79/556213879.db2.gz JMZXYZSTEKMPDV-UHFFFAOYSA-N 0 0 446.486 2.757 50 0 IFAARN Cc1ccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000008774918 556213938 /nfs/dbraw/zinc/21/39/38/556213938.db2.gz RNBSYOSVBOWLQC-UHFFFAOYSA-N 0 0 442.523 2.926 50 0 IFAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(C)n1 ZINC000097465016 556214654 /nfs/dbraw/zinc/21/46/54/556214654.db2.gz WLMNRVWKDSRQSO-UHFFFAOYSA-N 0 0 438.347 2.608 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(CCCOc1ccccc1)C2=O ZINC000008843692 556226925 /nfs/dbraw/zinc/22/69/25/556226925.db2.gz IYPXFFPMELFPKP-QFIPXVFZSA-N 0 0 438.509 2.658 50 0 IFAARN COc1ccc(CN(C(=O)c2nc(SC)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008868229 556228709 /nfs/dbraw/zinc/22/87/09/556228709.db2.gz QQLHANVMRKCBQQ-ZDUSSCGKSA-N 0 0 441.962 2.690 50 0 IFAARN CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n21 ZINC000009008496 556240200 /nfs/dbraw/zinc/24/02/00/556240200.db2.gz IMGSSVNZFGBASN-YMFQVDJJSA-N 0 0 449.532 2.592 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(N3C[C@H](C(=O)N4CCCCCC4)CC3=O)cc2)CC1 ZINC000009095661 556246751 /nfs/dbraw/zinc/24/67/51/556246751.db2.gz CPKLBRFVSPZUMB-LJQANCHMSA-N 0 0 447.601 2.863 50 0 IFAARN O=C(NCCc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009184412 556250250 /nfs/dbraw/zinc/25/02/50/556250250.db2.gz LOYPQKMBMXRXOO-OAHLLOKOSA-N 0 0 448.545 2.590 50 0 IFAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000009186370 556250541 /nfs/dbraw/zinc/25/05/41/556250541.db2.gz MTLKFNBDKXWBPZ-UHFFFAOYSA-N 0 0 436.541 2.810 50 0 IFAARN CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000009191149 556253779 /nfs/dbraw/zinc/25/37/79/556253779.db2.gz QUSCAFJHLWMLFW-GOSISDBHSA-N 0 0 431.514 2.745 50 0 IFAARN CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2)cc1 ZINC000009205676 556257666 /nfs/dbraw/zinc/25/76/66/556257666.db2.gz QKOXKHABFCQPGK-UHFFFAOYSA-N 0 0 445.479 2.681 50 0 IFAARN COc1cccc(NC(=O)COc2ccc(C(=S)N3CCN(C)CC3)cc2OC)c1 ZINC000009233244 556262023 /nfs/dbraw/zinc/26/20/23/556262023.db2.gz PQEMUNANUDMICN-UHFFFAOYSA-N 0 0 429.542 2.644 50 0 IFAARN NC(=O)Cn1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c2ccccc21 ZINC000009259832 556268045 /nfs/dbraw/zinc/26/80/45/556268045.db2.gz QGFKYVMVASGVAE-VCHYOVAHSA-N 0 0 434.477 2.802 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C ZINC000009262706 556269774 /nfs/dbraw/zinc/26/97/74/556269774.db2.gz ZIBCYJBJYIGYGD-UHFFFAOYSA-N 0 0 436.497 2.534 50 0 IFAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C(=O)OC)ccc3C(=O)OC)CC2=O)cc1 ZINC000009288731 556273341 /nfs/dbraw/zinc/27/33/41/556273341.db2.gz STPAJHYGXDXKPK-HNNXBMFYSA-N 0 0 440.452 2.650 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000009288695 556273467 /nfs/dbraw/zinc/27/34/67/556273467.db2.gz DOEBUPWMQSDTDF-AWEZNQCLSA-N 0 0 433.505 2.894 50 0 IFAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000013685199 556275830 /nfs/dbraw/zinc/27/58/30/556275830.db2.gz SNOFBJJXIPKQGF-UHFFFAOYSA-N 0 0 429.811 2.876 50 0 IFAARN CC[C@@H](NC(=O)c1cc2cc(OC)c(OC)c(OC)c2n1C)C(=O)Nc1ccccn1 ZINC000013686607 556276629 /nfs/dbraw/zinc/27/66/29/556276629.db2.gz UBLHTDVALRKENW-CQSZACIVSA-N 0 0 426.473 2.746 50 0 IFAARN Cn1c2nc(N3CCCCC3)n(CCSc3nc4ccccc4s3)c2c(=O)[nH]c1=O ZINC000009313114 556280305 /nfs/dbraw/zinc/28/03/05/556280305.db2.gz XZXDMXBZOJMRAJ-UHFFFAOYSA-N 0 0 442.570 2.816 50 0 IFAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@H](C)Cc3ccco3)cc1O2 ZINC000013691018 556280412 /nfs/dbraw/zinc/28/04/12/556280412.db2.gz NDFPPZJFOJMVMV-MRXNPFEDSA-N 0 0 440.496 2.752 50 0 IFAARN COc1cccc(NC(=O)CNC(=O)c2cc3cc(OC)c(OC)c(OC)c3n2C)c1 ZINC000013691399 556280658 /nfs/dbraw/zinc/28/06/58/556280658.db2.gz GPLWGWFJABSQRM-UHFFFAOYSA-N 0 0 427.457 2.581 50 0 IFAARN COc1ccc(CCNC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)cc1OC ZINC000009321069 556280809 /nfs/dbraw/zinc/28/08/09/556280809.db2.gz MSGHUYNFBKDHAZ-UHFFFAOYSA-N 0 0 432.480 2.539 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)ccn3n2)cc1 ZINC000009321198 556281107 /nfs/dbraw/zinc/28/11/07/556281107.db2.gz YFASHJDWMSPYBS-UHFFFAOYSA-N 0 0 446.463 2.972 50 0 IFAARN COc1ccc(CCn2ccc3c(cnc4nc(-c5ccncc5)nn43)c2=O)cc1OC ZINC000013692224 556282072 /nfs/dbraw/zinc/28/20/72/556282072.db2.gz QSIUKRRDKYREAA-UHFFFAOYSA-N 0 0 428.452 2.761 50 0 IFAARN COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(OC)c(OC)c2)cc1 ZINC000009344377 556283802 /nfs/dbraw/zinc/28/38/02/556283802.db2.gz JQGJDPIJNCHTMK-ZWKOTPCHSA-N 0 0 448.566 2.987 50 0 IFAARN CCc1ccc([C@H]2C(C(=O)OCCOC)C(C)=Nc3nc(SCC(=O)OC)nn32)cc1 ZINC000009427252 556290939 /nfs/dbraw/zinc/29/09/39/556290939.db2.gz PBIAKSRECAGQCC-SFHVURJKSA-N 0 0 446.529 2.584 50 0 IFAARN COc1cc2oc(=O)c(CC(=O)Nc3ccc(Cn4cncn4)cc3)c(C)c2cc1OC ZINC000013727708 556293831 /nfs/dbraw/zinc/29/38/31/556293831.db2.gz BKHHYKNYWWAMHF-UHFFFAOYSA-N 0 0 434.452 2.940 50 0 IFAARN COc1cc2cc(C(=O)N[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)[nH]c2c(OC)c1OC ZINC000013733380 556296826 /nfs/dbraw/zinc/29/68/26/556296826.db2.gz TYQPYKWOJRNVSW-NSHDSACASA-N 0 0 441.440 2.679 50 0 IFAARN COCCCNC(=O)C1CCN(Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000059833815 556298429 /nfs/dbraw/zinc/29/84/29/556298429.db2.gz LUWHZMGXXVHAJU-UHFFFAOYSA-N 0 0 443.367 2.925 50 0 IFAARN COc1ccc([C@H]2SCC(=O)N2NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000013756463 556300827 /nfs/dbraw/zinc/30/08/27/556300827.db2.gz UZHIPWGVGJWKGX-JOCHJYFZSA-N 0 0 440.477 2.794 50 0 IFAARN CC(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000009613027 556303628 /nfs/dbraw/zinc/30/36/28/556303628.db2.gz ZZPGFQOIQXFLFW-MRXNPFEDSA-N 0 0 427.476 2.968 50 0 IFAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC(N)=O ZINC000032741917 556303745 /nfs/dbraw/zinc/30/37/45/556303745.db2.gz DCHAVDVZIPNMDC-UHFFFAOYSA-N 0 0 425.514 2.787 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000009698687 556306903 /nfs/dbraw/zinc/30/69/03/556306903.db2.gz LMFATCRPVKZAPJ-QFBILLFUSA-N 0 0 437.496 2.596 50 0 IFAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009714589 556307200 /nfs/dbraw/zinc/30/72/00/556307200.db2.gz ZUMHFSZUTLSODV-UHFFFAOYSA-N 0 0 427.482 2.923 50 0 IFAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(F)(F)F)c1)N(C)CC3)OCO2 ZINC000013788439 556309754 /nfs/dbraw/zinc/30/97/54/556309754.db2.gz CCDNMWGRRMWADA-INIZCTEOSA-N 0 0 433.390 2.996 50 0 IFAARN Cc1ccc(NC(=O)Cn2c3ccc(S(=O)(=O)NC4CCCC4)cc3oc2=O)cc1 ZINC000009830655 556311636 /nfs/dbraw/zinc/31/16/36/556311636.db2.gz SIXAQJOIANIADK-UHFFFAOYSA-N 0 0 429.498 2.763 50 0 IFAARN CCc1ccc(NC(=O)Cn2c3ncccc3c(=O)n(Cc3ccccc3OC)c2=O)cc1 ZINC000009831026 556312339 /nfs/dbraw/zinc/31/23/39/556312339.db2.gz SCMPQEUMVQHQMK-UHFFFAOYSA-N 0 0 444.491 2.816 50 0 IFAARN Cc1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000032752839 556313854 /nfs/dbraw/zinc/31/38/54/556313854.db2.gz PCMWYUDMCIIHKC-CQSZACIVSA-N 0 0 439.921 2.547 50 0 IFAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000032752787 556313864 /nfs/dbraw/zinc/31/38/64/556313864.db2.gz PNADEKGAQAUDPZ-UHFFFAOYSA-N 0 0 428.562 2.666 50 0 IFAARN CCOC(=O)C1C(Cn2cnc3ccc(Cl)cc3c2=O)=NC(=O)N[C@H]1c1ccccc1 ZINC000032745377 556315295 /nfs/dbraw/zinc/31/52/95/556315295.db2.gz HNWZSDWNLIFDRG-IBGZPJMESA-N 0 0 438.871 2.921 50 0 IFAARN O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C1CCN(C(=O)c2ccco2)CC1 ZINC000032745498 556315425 /nfs/dbraw/zinc/31/54/25/556315425.db2.gz GOXHQDQWTHEZKB-UHFFFAOYSA-N 0 0 427.482 2.662 50 0 IFAARN Cc1sc2nc(CN3CCOCC3)n(CC(=O)Nc3cccnc3Cl)c(=O)c2c1C ZINC000032747286 556315631 /nfs/dbraw/zinc/31/56/31/556315631.db2.gz OJXPEAMKOBAYFH-UHFFFAOYSA-N 0 0 447.948 2.594 50 0 IFAARN O=C(NCCSCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000032747902 556316651 /nfs/dbraw/zinc/31/66/51/556316651.db2.gz DFFLXXJSBDORHI-HNNXBMFYSA-N 0 0 426.535 2.869 50 0 IFAARN COc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1 ZINC000013843972 556318536 /nfs/dbraw/zinc/31/85/36/556318536.db2.gz OKZUXQDCRUQVBX-OAQYLSRUSA-N 0 0 449.551 2.912 50 0 IFAARN O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000013847897 556319697 /nfs/dbraw/zinc/31/96/97/556319697.db2.gz ALQRAJVYSSRYFQ-SFHVURJKSA-N 0 0 430.526 2.539 50 0 IFAARN CCCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1=O ZINC000013847929 556319722 /nfs/dbraw/zinc/31/97/22/556319722.db2.gz GWMCPPRLDDIJKY-IBGZPJMESA-N 0 0 443.569 2.795 50 0 IFAARN Cc1c(C(=O)NCc2cccc(NS(N)(=O)=O)c2)sc2nc(C3CC3)nc(C)c12 ZINC000032754078 556323493 /nfs/dbraw/zinc/32/34/93/556323493.db2.gz GRSPSCFMOBTGQV-UHFFFAOYSA-N 0 0 431.543 2.731 50 0 IFAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032755441 556324719 /nfs/dbraw/zinc/32/47/19/556324719.db2.gz VGYDYIRCBMYXHK-OAHLLOKOSA-N 0 0 433.555 2.779 50 0 IFAARN O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032759090 556325122 /nfs/dbraw/zinc/32/51/22/556325122.db2.gz STULVVYXBSJOLN-HXUWFJFHSA-N 0 0 427.570 2.749 50 0 IFAARN O=C(CNC(=O)c1ccccc1)NC1(C(=O)Nc2ccc3c(c2)OCCO3)CCCCC1 ZINC000013880215 556325395 /nfs/dbraw/zinc/32/53/95/556325395.db2.gz XUHOBNUDZWWTSG-UHFFFAOYSA-N 0 0 437.496 2.645 50 0 IFAARN CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000010128953 556326653 /nfs/dbraw/zinc/32/66/53/556326653.db2.gz AGDMMULSNHLPFK-LJQANCHMSA-N 0 0 439.537 2.510 50 0 IFAARN CCOCCCNc1nnc(SCC(=O)Nc2ccccc2S(C)(=O)=O)s1 ZINC000032777436 556329759 /nfs/dbraw/zinc/32/97/59/556329759.db2.gz ZAQIYROJMZBKMI-UHFFFAOYSA-N 0 0 430.577 2.511 50 0 IFAARN COc1cccc(C(=O)N2CCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)c1 ZINC000032764723 556331949 /nfs/dbraw/zinc/33/19/49/556331949.db2.gz LWWZDLUTCGCJSI-UHFFFAOYSA-N 0 0 441.553 2.594 50 0 IFAARN C[C@H](Nc1nc2ccccc2s1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000032768640 556333488 /nfs/dbraw/zinc/33/34/88/556333488.db2.gz FVMCVZDMEXQTNK-INIZCTEOSA-N 0 0 444.582 2.771 50 0 IFAARN O=C(Nc1cccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1)[C@@H]1CCCO1 ZINC000032769415 556334126 /nfs/dbraw/zinc/33/41/26/556334126.db2.gz HGZNVPSTZSCTOE-FQEVSTJZSA-N 0 0 425.460 2.541 50 0 IFAARN COc1ccc(CN2CCN(CC(=O)Nc3cc(Cl)ccc3-n3cncn3)CC2)cc1 ZINC000022921719 556340567 /nfs/dbraw/zinc/34/05/67/556340567.db2.gz CFOFUJPYBVPSLS-UHFFFAOYSA-N 0 0 440.935 2.686 50 0 IFAARN CCOC(=O)CNC(=O)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000064450129 556340997 /nfs/dbraw/zinc/34/09/97/556340997.db2.gz QRTMPIAEJVEZNZ-UHFFFAOYSA-N 0 0 429.908 2.926 50 0 IFAARN CCn1c(SCC(=O)N2CCCCC2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000011404458 556341052 /nfs/dbraw/zinc/34/10/52/556341052.db2.gz NZSMMOIGOPVIPJ-OAHLLOKOSA-N 0 0 431.562 2.902 50 0 IFAARN CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)s1 ZINC000013944665 556341923 /nfs/dbraw/zinc/34/19/23/556341923.db2.gz IFKJVSQVHPOUGU-OAHLLOKOSA-N 0 0 427.530 2.894 50 0 IFAARN CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)s1 ZINC000013944664 556342072 /nfs/dbraw/zinc/34/20/72/556342072.db2.gz IFKJVSQVHPOUGU-HNNXBMFYSA-N 0 0 427.530 2.894 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC)cc3)[C@@H](C)C2)cc1 ZINC000011566449 556342337 /nfs/dbraw/zinc/34/23/37/556342337.db2.gz XAZCFDAXXROPBI-KRWDZBQOSA-N 0 0 436.599 2.895 50 0 IFAARN CN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000032780661 556346012 /nfs/dbraw/zinc/34/60/12/556346012.db2.gz AHGZUYAQVCMWOR-APWZRJJASA-N 0 0 434.945 2.847 50 0 IFAARN CN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000032780656 556346070 /nfs/dbraw/zinc/34/60/70/556346070.db2.gz AHGZUYAQVCMWOR-VQIMIIECSA-N 0 0 434.945 2.847 50 0 IFAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000032787125 556350098 /nfs/dbraw/zinc/35/00/98/556350098.db2.gz JVVQYCHAVNYPNJ-INIZCTEOSA-N 0 0 439.559 2.970 50 0 IFAARN O=C(CCOc1ccccc1)Nc1cnn(CC(=O)NCc2cccc(-n3cccn3)c2)c1 ZINC000011783760 556352182 /nfs/dbraw/zinc/35/21/82/556352182.db2.gz IQIONQHRFCBVES-UHFFFAOYSA-N 0 0 444.495 2.793 50 0 IFAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000013987927 556352505 /nfs/dbraw/zinc/35/25/05/556352505.db2.gz ZYRJRVZXDQAKNB-UHFFFAOYSA-N 0 0 436.556 2.994 50 0 IFAARN O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)NCCc1ccc(Cl)cc1 ZINC000013992258 556352798 /nfs/dbraw/zinc/35/27/98/556352798.db2.gz AUWLNRJYUZOFID-UHFFFAOYSA-N 0 0 437.883 2.817 50 0 IFAARN CC[C@@H](O)CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2nc(C)n(CC)c21 ZINC000011785330 556353149 /nfs/dbraw/zinc/35/31/49/556353149.db2.gz UGPJLHOLTGKYKO-MRXNPFEDSA-N 0 0 430.530 2.666 50 0 IFAARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000014014582 556355146 /nfs/dbraw/zinc/35/51/46/556355146.db2.gz HCJQMTPSYMGJIH-NRFANRHFSA-N 0 0 425.529 2.630 50 0 IFAARN Cc1ncc2c(c1CNC(=O)C1CCOCC1)CCN(C(=O)Cc1c(F)cccc1F)C2 ZINC000011790965 556355725 /nfs/dbraw/zinc/35/57/25/556355725.db2.gz CBHLMKOCKJEPSB-UHFFFAOYSA-N 0 0 443.494 2.838 50 0 IFAARN O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000011813029 556356281 /nfs/dbraw/zinc/35/62/81/556356281.db2.gz ICNIUMHYNXWPIZ-UHFFFAOYSA-N 0 0 443.473 2.655 50 0 IFAARN COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C[C@@H](O)c3ccccc3)cc2)CC1 ZINC000011814080 556357539 /nfs/dbraw/zinc/35/75/39/556357539.db2.gz NIYOTAFSPMCACR-JOCHJYFZSA-N 0 0 426.513 2.508 50 0 IFAARN O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCN(c2ccccc2O)CC1 ZINC000032795519 556357787 /nfs/dbraw/zinc/35/77/87/556357787.db2.gz DAUNNECXUYYUOH-HNNXBMFYSA-N 0 0 444.329 2.856 50 0 IFAARN CNC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC000032796103 556358890 /nfs/dbraw/zinc/35/88/90/556358890.db2.gz KSDBNYXGUQINCM-CQSZACIVSA-N 0 0 430.302 2.729 50 0 IFAARN CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000014067600 556359642 /nfs/dbraw/zinc/35/96/42/556359642.db2.gz YCMCMRBTADJWAR-SFHVURJKSA-N 0 0 447.520 2.899 50 0 IFAARN CCc1nccn1CCC(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000011817715 556360111 /nfs/dbraw/zinc/36/01/11/556360111.db2.gz BCQWTNUIEHDIRT-HXUWFJFHSA-N 0 0 425.577 2.951 50 0 IFAARN COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1S(=O)(=O)N1CCCC1 ZINC000014069536 556360389 /nfs/dbraw/zinc/36/03/89/556360389.db2.gz FUIHQLHMMSNYMB-UHFFFAOYSA-N 0 0 443.525 2.624 50 0 IFAARN O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC(=O)NC1CCCC1 ZINC000014077757 556362427 /nfs/dbraw/zinc/36/24/27/556362427.db2.gz JDXPXZQSFAUYIU-UHFFFAOYSA-N 0 0 442.438 2.628 50 0 IFAARN CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2n[nH]c4c2CCC4)C3)cc1 ZINC000011839187 556363925 /nfs/dbraw/zinc/36/39/25/556363925.db2.gz HUHHMZYANNYAIM-INIZCTEOSA-N 0 0 437.521 2.702 50 0 IFAARN COc1ccc(O)c(C(=O)c2cc(C(=O)N3CCOCC3)c3nc4ccccc4n3c2)c1 ZINC000014084247 556364065 /nfs/dbraw/zinc/36/40/65/556364065.db2.gz BPEAHGZUWCFUSW-UHFFFAOYSA-N 0 0 431.448 2.905 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc3c(c2)OCCO3)c1CN1CCC(C(=O)OCC)CC1 ZINC000011840702 556364782 /nfs/dbraw/zinc/36/47/82/556364782.db2.gz KCYOAIPDVXHZPS-UHFFFAOYSA-N 0 0 443.500 2.595 50 0 IFAARN COc1ccc(CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1Br ZINC000032806102 556368249 /nfs/dbraw/zinc/36/82/49/556368249.db2.gz YLUDBOCKKKANNW-UHFFFAOYSA-N 0 0 444.351 2.569 50 0 IFAARN Cc1csc(=O)n1CCCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000032808585 556368844 /nfs/dbraw/zinc/36/88/44/556368844.db2.gz CRKVYDDXYGAXQJ-UHFFFAOYSA-N 0 0 449.598 2.762 50 0 IFAARN COc1ccc(CN(C)C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(C)C2=O)cc1OC ZINC000011909178 556374352 /nfs/dbraw/zinc/37/43/52/556374352.db2.gz JPSVGWLTHJWSQP-QHCPKHFHSA-N 0 0 428.460 2.518 50 0 IFAARN Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 ZINC000014158060 556377916 /nfs/dbraw/zinc/37/79/16/556377916.db2.gz CXQFTKPUSOFZSC-IOFSEFHDSA-N 0 0 446.613 2.861 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC000014160366 556378160 /nfs/dbraw/zinc/37/81/60/556378160.db2.gz NROMGDDIJGUZHA-XMMPIXPASA-N 0 0 430.464 2.605 50 0 IFAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1Br ZINC000014163057 556378981 /nfs/dbraw/zinc/37/89/81/556378981.db2.gz UBBPIINIEUZIFN-INIZCTEOSA-N 0 0 437.315 2.993 50 0 IFAARN O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000014171263 556381594 /nfs/dbraw/zinc/38/15/94/556381594.db2.gz IBCCJUZGAZYARV-UHFFFAOYSA-N 0 0 427.320 2.508 50 0 IFAARN CC[C@@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCN3C(C)=O)C1=O ZINC000014171652 556381848 /nfs/dbraw/zinc/38/18/48/556381848.db2.gz DLIWEHXLTHRLMA-DEOSSOPVSA-N 0 0 434.496 2.700 50 0 IFAARN COc1cccc(C[C@@]2(CCC(=O)NCc3cnn(-c4ccccc4)n3)CCC(=O)N2)c1 ZINC000011975201 556383196 /nfs/dbraw/zinc/38/31/96/556383196.db2.gz GERRDOMRJSPATG-XMMPIXPASA-N 0 0 433.512 2.564 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2OC)CC(=O)N(CCCOC)C1=O ZINC000012000650 556385501 /nfs/dbraw/zinc/38/55/01/556385501.db2.gz YEQYZZPRZUNBOR-KOSHJBKYSA-N 0 0 430.545 2.910 50 0 IFAARN COc1ccc(C)cc1-n1nnnc1S[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000014185223 556385519 /nfs/dbraw/zinc/38/55/19/556385519.db2.gz FKWPQWRPJZHMOX-LJQANCHMSA-N 0 0 425.514 2.672 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 ZINC000012003305 556386036 /nfs/dbraw/zinc/38/60/36/556386036.db2.gz JEVGYTFGRHYXCR-UHFFFAOYSA-N 0 0 431.901 2.860 50 0 IFAARN CSc1ccccc1N1C(=O)CN(C(=O)CCn2cnc3ccccc3c2=O)C[C@H]1C ZINC000012005059 556386260 /nfs/dbraw/zinc/38/62/60/556386260.db2.gz IMBMFXLKTKVFCO-MRXNPFEDSA-N 0 0 436.537 2.772 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCN(C(=O)CCc3ccco3)CC2)ccc1Br ZINC000014197069 556388874 /nfs/dbraw/zinc/38/88/74/556388874.db2.gz KAYPIAOMTOWXKZ-UHFFFAOYSA-N 0 0 441.347 2.816 50 0 IFAARN O=C([C@H]1CCCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1)N1CCOCC1 ZINC000012031293 556388926 /nfs/dbraw/zinc/38/89/26/556388926.db2.gz CRIJXQYTOBDCGW-INIZCTEOSA-N 0 0 438.450 2.750 50 0 IFAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O ZINC000014197454 556389152 /nfs/dbraw/zinc/38/91/52/556389152.db2.gz TUGRZYGRCBWLTR-QFIPXVFZSA-N 0 0 440.887 2.873 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000014198814 556389993 /nfs/dbraw/zinc/38/99/93/556389993.db2.gz PATFFIQLWQSKEV-OAQYLSRUSA-N 0 0 444.553 2.689 50 0 IFAARN COCCCN1C(=O)C[C@@](CC(=O)N(C)Cc2cccs2)(c2ccccc2OC)C1=O ZINC000012037710 556390102 /nfs/dbraw/zinc/39/01/02/556390102.db2.gz BLDGMCVZUCPPQO-QHCPKHFHSA-N 0 0 444.553 2.839 50 0 IFAARN COc1ccc(-c2cc3ncn(CC(=O)Nc4ccc(C(N)=O)cc4)c(=O)c3s2)cc1 ZINC000014199726 556390576 /nfs/dbraw/zinc/39/05/76/556390576.db2.gz GSFQASCCKKETRZ-UHFFFAOYSA-N 0 0 434.477 2.871 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000014200108 556390865 /nfs/dbraw/zinc/39/08/65/556390865.db2.gz POVHPMMMLZBWDQ-UHFFFAOYSA-N 0 0 430.482 2.848 50 0 IFAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014200571 556391034 /nfs/dbraw/zinc/39/10/34/556391034.db2.gz DAAZYDZNFQCUHP-CABCVRRESA-N 0 0 444.586 2.960 50 0 IFAARN Cn1c(=O)c2c3c(sc2nc1SC[C@@H](O)COCc1ccc2c(c1)OCO2)CCC3 ZINC000014200909 556391455 /nfs/dbraw/zinc/39/14/55/556391455.db2.gz WKLCORACEYZHKD-ZDUSSCGKSA-N 0 0 446.550 2.882 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)C[C@@H](C)O1 ZINC000014201984 556392314 /nfs/dbraw/zinc/39/23/14/556392314.db2.gz MWGSFESCWRAPKO-CHWSQXEVSA-N 0 0 426.926 2.708 50 0 IFAARN CCN1C(=O)C[C@@](CC(=O)N(C)CCc2cn[nH]c2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000012050958 556392554 /nfs/dbraw/zinc/39/25/54/556392554.db2.gz CREHPUUIFBYLIL-FQEVSTJZSA-N 0 0 436.434 2.536 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3cccs3)CC2)cc1 ZINC000032809951 556394755 /nfs/dbraw/zinc/39/47/55/556394755.db2.gz XNTADKGTTQHIQQ-UHFFFAOYSA-N 0 0 426.585 2.772 50 0 IFAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N([C@H]1CCS(=O)(=O)C1)C3=O ZINC000012062829 556395722 /nfs/dbraw/zinc/39/57/22/556395722.db2.gz UVLBSEUMLIHOGL-MGPUTAFESA-N 0 0 439.489 2.848 50 0 IFAARN COc1ccc(Br)cc1CN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000014229799 556396733 /nfs/dbraw/zinc/39/67/33/556396733.db2.gz JGWSQLMTKUNFAA-UHFFFAOYSA-N 0 0 425.304 2.773 50 0 IFAARN O=C(CCc1ccccc1O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000014230951 556397482 /nfs/dbraw/zinc/39/74/82/556397482.db2.gz QSXPHKWRPIZYSR-UHFFFAOYSA-N 0 0 442.459 2.877 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000014232254 556398208 /nfs/dbraw/zinc/39/82/08/556398208.db2.gz HBIQVVKWAOIOOR-INIZCTEOSA-N 0 0 436.555 2.755 50 0 IFAARN NS(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)ccc1Cl ZINC000014232191 556398211 /nfs/dbraw/zinc/39/82/11/556398211.db2.gz NLCTZFRSATVOIF-UHFFFAOYSA-N 0 0 435.933 2.544 50 0 IFAARN Cc1cc(Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)on1 ZINC000032814254 556399691 /nfs/dbraw/zinc/39/96/91/556399691.db2.gz PERZSQXSXHPQDW-UHFFFAOYSA-N 0 0 427.464 2.801 50 0 IFAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000014240532 556400974 /nfs/dbraw/zinc/40/09/74/556400974.db2.gz DYLCWZCPQHGRSA-QGZVFWFLSA-N 0 0 439.541 2.545 50 0 IFAARN O=C(Cc1noc2ccccc12)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000014242373 556402872 /nfs/dbraw/zinc/40/28/72/556402872.db2.gz GHMVZYMMXPCXLN-UHFFFAOYSA-N 0 0 449.898 2.918 50 0 IFAARN COc1ccccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000014244298 556403858 /nfs/dbraw/zinc/40/38/58/556403858.db2.gz QTXQWRNWSODHMR-ULQDDVLXSA-N 0 0 432.542 2.984 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C2(CC(=O)N3CCOCC3)CCCC2)cc1 ZINC000014245635 556405570 /nfs/dbraw/zinc/40/55/70/556405570.db2.gz LDIOZBOCTWOVPJ-KRWDZBQOSA-N 0 0 430.501 2.569 50 0 IFAARN CC(C)CNc1nn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(=S)s1 ZINC000014245598 556405577 /nfs/dbraw/zinc/40/55/77/556405577.db2.gz RUZRTLTXRWCQKC-UHFFFAOYSA-N 0 0 427.621 2.706 50 0 IFAARN COc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc(OC)c1OCC(N)=O ZINC000014246177 556406037 /nfs/dbraw/zinc/40/60/37/556406037.db2.gz DOWOXIHQAHVWQK-UHFFFAOYSA-N 0 0 430.501 2.674 50 0 IFAARN Nc1nc(COC(=O)c2ccc3c(c2)NC(=O)CS3)nc(Nc2ccc(F)cc2)n1 ZINC000014246778 556406570 /nfs/dbraw/zinc/40/65/70/556406570.db2.gz GSCABOVDIBHJHH-UHFFFAOYSA-N 0 0 426.433 2.738 50 0 IFAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014246814 556406583 /nfs/dbraw/zinc/40/65/83/556406583.db2.gz QYNMWKJTFJEORI-UHFFFAOYSA-N 0 0 449.960 2.838 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 ZINC000014249354 556408006 /nfs/dbraw/zinc/40/80/06/556408006.db2.gz OSAFTYOOUXWBSC-UHFFFAOYSA-N 0 0 442.896 2.643 50 0 IFAARN CCOC(=O)C1=C(Cn2nc(-c3ccc(F)cc3)oc2=O)NC(=O)N[C@@H]1c1ccccc1 ZINC000032823765 556408325 /nfs/dbraw/zinc/40/83/25/556408325.db2.gz UWZKFLQKHSILLE-GOSISDBHSA-N 0 0 438.415 2.514 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@H](O)COc2cccc3ccccc32)C1=O ZINC000014252295 556409526 /nfs/dbraw/zinc/40/95/26/556409526.db2.gz KSUHBKILNBSIML-BVZFJXPGSA-N 0 0 448.475 2.818 50 0 IFAARN O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000014252412 556409619 /nfs/dbraw/zinc/40/96/19/556409619.db2.gz ZAYJIVIRSNKPLR-IBGZPJMESA-N 0 0 448.972 2.864 50 0 IFAARN C[C@H](CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccccc1 ZINC000032825654 556410903 /nfs/dbraw/zinc/41/09/03/556410903.db2.gz AZOQMHDEVUCQQJ-LLVKDONJSA-N 0 0 425.304 2.862 50 0 IFAARN CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000004522147 556413909 /nfs/dbraw/zinc/41/39/09/556413909.db2.gz QNFJSZLAVLYOII-UGSOOPFHSA-N 0 0 434.518 2.518 50 0 IFAARN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000014361526 556414731 /nfs/dbraw/zinc/41/47/31/556414731.db2.gz SQVUBPFFMKQLSV-HBRISMIWSA-N 0 0 442.556 2.834 50 0 IFAARN COc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)sc2c1 ZINC000012940644 556416806 /nfs/dbraw/zinc/41/68/06/556416806.db2.gz OCQKBUPHGANTFX-UHFFFAOYSA-N 0 0 427.454 2.890 50 0 IFAARN C[C@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000032830387 556417078 /nfs/dbraw/zinc/41/70/78/556417078.db2.gz MSYVQNQRGCRWNO-QMHKHESXSA-N 0 0 439.468 2.572 50 0 IFAARN CCCCn1c2nc(-c3ccc(Br)s3)n(CCOC)c2c(=O)[nH]c1=O ZINC000032834681 556417800 /nfs/dbraw/zinc/41/78/00/556417800.db2.gz FMMMNXKFUQXYJW-UHFFFAOYSA-N 0 0 427.324 2.824 50 0 IFAARN Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1-n1cccc1 ZINC000014521064 556419783 /nfs/dbraw/zinc/41/97/83/556419783.db2.gz WPDDTBOMPSBMSL-UHFFFAOYSA-N 0 0 439.537 2.737 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000012975692 556421311 /nfs/dbraw/zinc/42/13/11/556421311.db2.gz RGFQYKLJWSCWHN-INIZCTEOSA-N 0 0 444.329 2.861 50 0 IFAARN CCc1ccccc1NC(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000012976150 556421923 /nfs/dbraw/zinc/42/19/23/556421923.db2.gz HPSOLCCDXFOVHN-UHFFFAOYSA-N 0 0 443.525 2.970 50 0 IFAARN COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2cccnc2)C3)cc1 ZINC000014534503 556422600 /nfs/dbraw/zinc/42/26/00/556422600.db2.gz CGFNTMBVBCVEOQ-UHFFFAOYSA-N 0 0 445.523 2.620 50 0 IFAARN COc1cccc(CC(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3cccnc3)C2)c1 ZINC000014537866 556423935 /nfs/dbraw/zinc/42/39/35/556423935.db2.gz JWNIBVUTMVOBBH-JOCHJYFZSA-N 0 0 425.529 2.545 50 0 IFAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012981045 556424538 /nfs/dbraw/zinc/42/45/38/556424538.db2.gz NHRPSTZDSKAXRD-UHFFFAOYSA-N 0 0 444.553 2.907 50 0 IFAARN COC(=O)c1c(NC(=O)COc2ccccc2)c2cc(N[C@@H](C)CCO)cnc2n1C ZINC000014538984 556424630 /nfs/dbraw/zinc/42/46/30/556424630.db2.gz SZDFAIRBTBUSDF-AWEZNQCLSA-N 0 0 426.473 2.560 50 0 IFAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012983456 556425630 /nfs/dbraw/zinc/42/56/30/556425630.db2.gz UPIJMJLBEDGDDN-HIGJEIRPSA-N 0 0 434.558 2.567 50 0 IFAARN COc1ccc(C(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3cccc(OC)c3)C2)o1 ZINC000014541717 556425859 /nfs/dbraw/zinc/42/58/59/556425859.db2.gz SLGNIKAYYAKRPW-LJQANCHMSA-N 0 0 430.501 2.823 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1cccc2cccnc21 ZINC000012984195 556426018 /nfs/dbraw/zinc/42/60/18/556426018.db2.gz NWWLSCHEMCIGKR-UHFFFAOYSA-N 0 0 427.482 2.703 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)cc1 ZINC000012985443 556426495 /nfs/dbraw/zinc/42/64/95/556426495.db2.gz YGYNRCWHDJXQOE-HXUWFJFHSA-N 0 0 428.554 2.894 50 0 IFAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012986157 556426761 /nfs/dbraw/zinc/42/67/61/556426761.db2.gz CTCZUGXJEUKYJB-IBGZPJMESA-N 0 0 428.510 2.975 50 0 IFAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012986155 556426771 /nfs/dbraw/zinc/42/67/71/556426771.db2.gz CTCZUGXJEUKYJB-LJQANCHMSA-N 0 0 428.510 2.975 50 0 IFAARN COc1cc(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc(OC)c1OC ZINC000012986348 556427052 /nfs/dbraw/zinc/42/70/52/556427052.db2.gz LTANHVPMZFOBSI-UHFFFAOYSA-N 0 0 429.498 2.668 50 0 IFAARN O=C(NCc1nnc2ccc(C(F)(F)F)cn21)C1CCN(C(=O)c2cccs2)CC1 ZINC000032842086 556427737 /nfs/dbraw/zinc/42/77/37/556427737.db2.gz ITAAFPUHGKRKTG-UHFFFAOYSA-N 0 0 437.447 2.978 50 0 IFAARN NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000012992632 556428853 /nfs/dbraw/zinc/42/88/53/556428853.db2.gz NJIPFGPVSPHJKU-KRWDZBQOSA-N 0 0 426.516 2.603 50 0 IFAARN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012994882 556430245 /nfs/dbraw/zinc/43/02/45/556430245.db2.gz GIMUCJZKZRWHQF-UHFFFAOYSA-N 0 0 444.553 2.826 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 ZINC000012997342 556431880 /nfs/dbraw/zinc/43/18/80/556431880.db2.gz DDXZKGYCGDFIOS-SFHVURJKSA-N 0 0 443.569 2.926 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012998628 556432272 /nfs/dbraw/zinc/43/22/72/556432272.db2.gz CEEVTSUXZZWQGB-UHFFFAOYSA-N 0 0 438.553 2.944 50 0 IFAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000014694037 556432776 /nfs/dbraw/zinc/43/27/76/556432776.db2.gz LOIDXYOODAITNB-UHFFFAOYSA-N 0 0 429.473 2.936 50 0 IFAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3ccc(N4CCOCC4)nc3)c12 ZINC000027811429 556433353 /nfs/dbraw/zinc/43/33/53/556433353.db2.gz UOLNXWGZCXVVAO-UHFFFAOYSA-N 0 0 432.484 2.698 50 0 IFAARN COc1ccc([C@@H]2CCCN2c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c(OC)c1 ZINC000032856022 556433444 /nfs/dbraw/zinc/43/34/44/556433444.db2.gz BCLYVHXLZLDPAR-KRWDZBQOSA-N 0 0 439.555 2.852 50 0 IFAARN Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000032856100 556433591 /nfs/dbraw/zinc/43/35/91/556433591.db2.gz XZEUQHXKQBGNSK-UHFFFAOYSA-N 0 0 443.500 2.633 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)C(C)(C)C ZINC000004405113 556433826 /nfs/dbraw/zinc/43/38/26/556433826.db2.gz VSUJFOBLYVAQSB-UHFFFAOYSA-N 0 0 425.576 2.784 50 0 IFAARN COc1ccc(-n2ncc(C(=O)NC[C@@H]3CCN(c4ccccc4)C3)c2C(F)(F)F)nn1 ZINC000027838636 556434309 /nfs/dbraw/zinc/43/43/09/556434309.db2.gz WWQIITOKCUWYTA-AWEZNQCLSA-N 0 0 446.433 2.946 50 0 IFAARN CC(C)[C@@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1cccs1 ZINC000032858300 556434868 /nfs/dbraw/zinc/43/48/68/556434868.db2.gz SZUUCWOEEAHUKW-QGZVFWFLSA-N 0 0 438.600 2.888 50 0 IFAARN O=C(Cc1ccc(Cl)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 ZINC000011026028 556435669 /nfs/dbraw/zinc/43/56/69/556435669.db2.gz CHWHOPWMHRLHLN-UHFFFAOYSA-N 0 0 440.974 2.984 50 0 IFAARN CCc1cc2oc(=O)cc(COC(=O)c3cc(S(=O)(=O)NC)cn3C)c2cc1Cl ZINC000032850547 556435791 /nfs/dbraw/zinc/43/57/91/556435791.db2.gz DEFLCIBIYMBCCM-UHFFFAOYSA-N 0 0 438.889 2.612 50 0 IFAARN C[C@@]1(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)CCS(=O)(=O)C1 ZINC000013014716 556437079 /nfs/dbraw/zinc/43/70/79/556437079.db2.gz FHAYTOLNFHEJBH-LJQANCHMSA-N 0 0 438.575 2.829 50 0 IFAARN CCC(CC)CNc1cc(C(=O)NCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014732729 556437112 /nfs/dbraw/zinc/43/71/12/556437112.db2.gz BFEVUXHGDFUQPW-UHFFFAOYSA-N 0 0 447.605 2.946 50 0 IFAARN COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1S(=O)(=O)N1CCOCC1 ZINC000013026739 556440587 /nfs/dbraw/zinc/44/05/87/556440587.db2.gz WNEAAHDTNFPXNG-UHFFFAOYSA-N 0 0 447.538 2.887 50 0 IFAARN Cc1cc(=O)n2nc(COC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)sc2n1 ZINC000013028846 556441648 /nfs/dbraw/zinc/44/16/48/556441648.db2.gz VAOKMCIPUIIFGW-GOSISDBHSA-N 0 0 448.504 2.544 50 0 IFAARN O=C(c1cn[nH]c1)N1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(F)c2)C1 ZINC000014747351 556441767 /nfs/dbraw/zinc/44/17/67/556441767.db2.gz NUXQZJZGQITZEY-JOCHJYFZSA-N 0 0 436.487 2.661 50 0 IFAARN O=C([C@H]1CCOC1)N1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(F)c2)C1 ZINC000014752424 556444042 /nfs/dbraw/zinc/44/40/42/556444042.db2.gz NBAWQCXCUHNOIL-JTHBVZDNSA-N 0 0 440.515 2.661 50 0 IFAARN CCCCN1C(=O)C[C@H](C(=O)Nc2cccc(-n3cnnn3)c2)[C@@H]1c1ccc(OC)cc1 ZINC000013039342 556445135 /nfs/dbraw/zinc/44/51/35/556445135.db2.gz PHKWQCLAICURPS-UNMCSNQZSA-N 0 0 434.500 2.999 50 0 IFAARN O=C(COC(=O)c1cncc(Br)c1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000011027813 556445252 /nfs/dbraw/zinc/44/52/52/556445252.db2.gz ONGLGBBVIIXNDE-UHFFFAOYSA-N 0 0 436.653 2.874 50 0 IFAARN C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000014777485 556445406 /nfs/dbraw/zinc/44/54/06/556445406.db2.gz MPQRBDRVBOSSRT-HNNXBMFYSA-N 0 0 445.570 2.994 50 0 IFAARN COCc1c2ccccc2oc1C(=O)OCC(=O)NCCc1ccc2c(c1)OCCO2 ZINC000014780614 556445454 /nfs/dbraw/zinc/44/54/54/556445454.db2.gz GCIHQWOMJCCAPK-UHFFFAOYSA-N 0 0 425.437 2.866 50 0 IFAARN C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)c1cccs1 ZINC000013040301 556446227 /nfs/dbraw/zinc/44/62/27/556446227.db2.gz ORZXHYIMFIFNIM-AWEZNQCLSA-N 0 0 427.979 2.585 50 0 IFAARN O=C(CSc1ccc2c(c1)OCCO2)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000028234410 556446658 /nfs/dbraw/zinc/44/66/58/556446658.db2.gz RSLJBVOPLQUHJC-AWEZNQCLSA-N 0 0 439.580 2.827 50 0 IFAARN C[C@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000032860341 556447132 /nfs/dbraw/zinc/44/71/32/556447132.db2.gz NRZVXLJPNONGEB-CVEARBPZSA-N 0 0 428.510 2.750 50 0 IFAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)C(=O)NC1CCCC1 ZINC000013041554 556447874 /nfs/dbraw/zinc/44/78/74/556447874.db2.gz NDCFWRZCYCLZJX-BBWFWOEESA-N 0 0 436.574 2.957 50 0 IFAARN CCCCn1c(CCC(=O)NCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2CCC ZINC000013041822 556447955 /nfs/dbraw/zinc/44/79/55/556447955.db2.gz OOSSCIQMDBIACG-UHFFFAOYSA-N 0 0 425.533 2.654 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3OC)n2N)c1C ZINC000013041886 556448122 /nfs/dbraw/zinc/44/81/22/556448122.db2.gz FONFBJLUKSSPPI-UHFFFAOYSA-N 0 0 429.502 2.764 50 0 IFAARN Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C)n1C(C)C ZINC000032865206 556448224 /nfs/dbraw/zinc/44/82/24/556448224.db2.gz PGTSKFQAUYQNSB-UHFFFAOYSA-N 0 0 425.576 2.698 50 0 IFAARN C[C@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000032863159 556448277 /nfs/dbraw/zinc/44/82/77/556448277.db2.gz NUZNEFMXHOKLTM-INIZCTEOSA-N 0 0 429.542 2.755 50 0 IFAARN CCn1c(CN(C)CC(=O)Nc2ccc(C)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013061696 556450643 /nfs/dbraw/zinc/45/06/43/556450643.db2.gz MRDUTVZMXXZIGC-UHFFFAOYSA-N 0 0 443.573 2.685 50 0 IFAARN COc1ccc([C@H](CNC(=O)c2nn(-c3ccc(OC)cc3)ccc2=O)N2CCCC2)cc1 ZINC000028293381 556450998 /nfs/dbraw/zinc/45/09/98/556450998.db2.gz GIQCQIRSCNSXPR-QFIPXVFZSA-N 0 0 448.523 2.817 50 0 IFAARN O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000028296883 556451724 /nfs/dbraw/zinc/45/17/24/556451724.db2.gz UVRFNUIXRWDDPF-VAGOZBQTSA-N 0 0 435.505 2.531 50 0 IFAARN CCc1noc(C)c1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000013063171 556451701 /nfs/dbraw/zinc/45/17/01/556451701.db2.gz WAKBFTOEKFWAFY-UHFFFAOYSA-N 0 0 435.502 2.516 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc3c(s2)CCC3)c1 ZINC000013063185 556451760 /nfs/dbraw/zinc/45/17/60/556451760.db2.gz BKSVNJJOBRNYLO-UHFFFAOYSA-N 0 0 442.946 2.936 50 0 IFAARN COc1ccc(CNC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000028301725 556451778 /nfs/dbraw/zinc/45/17/78/556451778.db2.gz JLGKSGQQKWKSNR-VQHVLOKHSA-N 0 0 445.468 2.602 50 0 IFAARN COc1ccc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000028301721 556451790 /nfs/dbraw/zinc/45/17/90/556451790.db2.gz YRMYGAUZOLNBQA-RMKNXTFCSA-N 0 0 431.441 2.925 50 0 IFAARN O=S1(=O)CC[C@H](c2nnc(C3(c4ccc(Br)cc4)CCOCC3)o2)C1 ZINC000072273537 556452335 /nfs/dbraw/zinc/45/23/35/556452335.db2.gz OYOVGDIQICJLIR-LBPRGKRZSA-N 0 0 427.320 2.831 50 0 IFAARN Cc1cc(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000013071349 556453443 /nfs/dbraw/zinc/45/34/43/556453443.db2.gz CIJVRAWBCXMMOH-UHFFFAOYSA-N 0 0 430.526 2.611 50 0 IFAARN Cc1cccc(C(=O)N[C@H](C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)C(C)C)c1 ZINC000032958278 556454057 /nfs/dbraw/zinc/45/40/57/556454057.db2.gz ZUPUOBWSICFTLD-BTYIYWSLSA-N 0 0 438.480 2.895 50 0 IFAARN CCc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)n1 ZINC000013074048 556454664 /nfs/dbraw/zinc/45/46/64/556454664.db2.gz WAIFCFAQLCKZIA-OAHLLOKOSA-N 0 0 434.500 2.930 50 0 IFAARN O=C(OCc1cc2c(cc1Br)OCCO2)c1cccnc1N1CCOCC1 ZINC000028448916 556455065 /nfs/dbraw/zinc/45/50/65/556455065.db2.gz PYCWHTVLDYHAOG-UHFFFAOYSA-N 0 0 435.274 2.809 50 0 IFAARN COc1ccc(C[C@@]2(CCC(=O)NC[C@H]3COc4ccccc4O3)CCC(=O)N2)c(F)c1 ZINC000014886544 556455406 /nfs/dbraw/zinc/45/54/06/556455406.db2.gz OUYGBIIGIROXTI-MHECFPHRSA-N 0 0 442.487 2.762 50 0 IFAARN Cc1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1S(=O)(=O)N1CCCCCC1 ZINC000013075651 556455631 /nfs/dbraw/zinc/45/56/31/556455631.db2.gz UJJKSHXYQZDSQM-UHFFFAOYSA-N 0 0 435.571 2.924 50 0 IFAARN COc1cc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1OC(F)F ZINC000013095771 556456629 /nfs/dbraw/zinc/45/66/29/556456629.db2.gz HSVYBFAWPKLRPG-UHFFFAOYSA-N 0 0 428.457 2.819 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1 ZINC000013097169 556457695 /nfs/dbraw/zinc/45/76/95/556457695.db2.gz JTZWXXTYLPFTEZ-UHFFFAOYSA-N 0 0 444.582 2.505 50 0 IFAARN Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1CC(F)(F)F ZINC000013096916 556457711 /nfs/dbraw/zinc/45/77/11/556457711.db2.gz FANJOBLIHUQNIK-KKUMJFAQSA-N 0 0 440.418 2.733 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1CCc2ccccc2C1 ZINC000028721457 556459491 /nfs/dbraw/zinc/45/94/91/556459491.db2.gz XKNANCFFSSOZGY-RUZDIDTESA-N 0 0 443.551 2.547 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)N1CCc2ccccc2C1 ZINC000028721455 556459504 /nfs/dbraw/zinc/45/95/04/556459504.db2.gz XKNANCFFSSOZGY-VWLOTQADSA-N 0 0 443.551 2.547 50 0 IFAARN C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O ZINC000013110046 556463972 /nfs/dbraw/zinc/46/39/72/556463972.db2.gz NMOKNNZSMRJLTH-HXUWFJFHSA-N 0 0 449.294 2.786 50 0 IFAARN CCOc1ccc(NC(=O)[C@H]2C[C@H](OC(C)=O)CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013112404 556464843 /nfs/dbraw/zinc/46/48/43/556464843.db2.gz FPLTUCHYWLSBFF-PZJWPPBQSA-N 0 0 446.525 2.727 50 0 IFAARN O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(Cc1cccc(F)c1F)CC2 ZINC000014964509 556465084 /nfs/dbraw/zinc/46/50/84/556465084.db2.gz VVFDKSHHHTYJOT-UHFFFAOYSA-N 0 0 429.446 2.613 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nn1-c1ccccc1 ZINC000013114257 556466560 /nfs/dbraw/zinc/46/65/60/556466560.db2.gz AEYYDSWJNIDWHS-UHFFFAOYSA-N 0 0 438.509 2.578 50 0 IFAARN COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(C)C ZINC000013114430 556466647 /nfs/dbraw/zinc/46/66/47/556466647.db2.gz OIWVVRLPPVFQIJ-NRFANRHFSA-N 0 0 445.585 2.903 50 0 IFAARN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 ZINC000014970329 556466799 /nfs/dbraw/zinc/46/67/99/556466799.db2.gz PXWWLPFVLPYDPT-DEOSSOPVSA-N 0 0 449.595 2.896 50 0 IFAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000029197347 556469828 /nfs/dbraw/zinc/46/98/28/556469828.db2.gz OIDIZGQCUBTREN-AWEZNQCLSA-N 0 0 447.504 2.912 50 0 IFAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013117507 556470150 /nfs/dbraw/zinc/47/01/50/556470150.db2.gz CYPHQWAAJLDWFZ-CQSZACIVSA-N 0 0 434.568 2.846 50 0 IFAARN CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000013118083 556471446 /nfs/dbraw/zinc/47/14/46/556471446.db2.gz KCSBRYOQKABDDI-UHFFFAOYSA-N 0 0 442.965 2.542 50 0 IFAARN O=C(Cc1ccc(Cl)cc1Cl)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000029302169 556471969 /nfs/dbraw/zinc/47/19/69/556471969.db2.gz HCLOVIODCMIYOV-UHFFFAOYSA-N 0 0 431.323 2.888 50 0 IFAARN COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(Cl)c1OC ZINC000014987735 556473186 /nfs/dbraw/zinc/47/31/86/556473186.db2.gz KFUYKECETQSVBD-CQSZACIVSA-N 0 0 435.956 2.840 50 0 IFAARN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000029361945 556473286 /nfs/dbraw/zinc/47/32/86/556473286.db2.gz FNUGVEZSHOTWMO-AWEZNQCLSA-N 0 0 426.330 2.747 50 0 IFAARN COCC(=O)Nc1cc(C(=O)NCCCn2ccnc2)cc2nc(-c3ccccc3)n(C)c21 ZINC000014988358 556473726 /nfs/dbraw/zinc/47/37/26/556473726.db2.gz LCLGUUFWKKILIR-UHFFFAOYSA-N 0 0 446.511 2.842 50 0 IFAARN O=CN1CCN(Cc2ccc(OCC[C@H]3CCCCN3C(=O)c3cccnc3)cc2)CC1 ZINC000014990731 556474755 /nfs/dbraw/zinc/47/47/55/556474755.db2.gz NGYYTBZMMAATBF-HSZRJFAPSA-N 0 0 436.556 2.819 50 0 IFAARN CCc1ccc([C@@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2cccs2)cc1 ZINC000029429319 556475096 /nfs/dbraw/zinc/47/50/96/556475096.db2.gz SUDPVTDDXQNGSX-LJQANCHMSA-N 0 0 434.521 2.776 50 0 IFAARN O=C(CN1C[C@@H](c2ccccc2)CC1=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000014993368 556476149 /nfs/dbraw/zinc/47/61/49/556476149.db2.gz NRFLVXIIHJNEFH-VQTJNVASSA-N 0 0 428.492 2.579 50 0 IFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000014994427 556476883 /nfs/dbraw/zinc/47/68/83/556476883.db2.gz HOYIRDHSGPBIDN-IFMALSPDSA-N 0 0 448.567 2.826 50 0 IFAARN CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)NC3CCCCC3)cc2C1=O ZINC000013129596 556479219 /nfs/dbraw/zinc/47/92/19/556479219.db2.gz ZWBPWQKMUPTYRV-UHFFFAOYSA-N 0 0 443.500 2.644 50 0 IFAARN O=C(CCC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCC2 ZINC000029670046 556479734 /nfs/dbraw/zinc/47/97/34/556479734.db2.gz CJWLCGMVLCEGOY-UHFFFAOYSA-N 0 0 434.492 2.852 50 0 IFAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC[C@@H]2CN(S(=O)(=O)N(C)C)CC[C@@H]21 ZINC000015001581 556480054 /nfs/dbraw/zinc/48/00/54/556480054.db2.gz IEIRXLGEODXSCP-JZXOWHBKSA-N 0 0 443.997 2.535 50 0 IFAARN C[C@@H]1Oc2ccc(NC(=O)CCCN(C)S(=O)(=O)c3ccc(F)cc3)cc2NC1=O ZINC000029770626 556482240 /nfs/dbraw/zinc/48/22/40/556482240.db2.gz MWXAUTZVMXFPMX-ZDUSSCGKSA-N 0 0 435.477 2.585 50 0 IFAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccoc3)C2)nn1 ZINC000015008750 556482621 /nfs/dbraw/zinc/48/26/21/556482621.db2.gz RTSBINWYLAMVST-LPHOPBHVSA-N 0 0 441.513 2.834 50 0 IFAARN C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1nc(-c2cccnc2)no1 ZINC000032876088 556483117 /nfs/dbraw/zinc/48/31/17/556483117.db2.gz JKWCSJSXJUWXMO-NSHDSACASA-N 0 0 436.877 2.953 50 0 IFAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000013135167 556483336 /nfs/dbraw/zinc/48/33/36/556483336.db2.gz UPNNNTPTZMAHQX-STQMWFEESA-N 0 0 431.905 2.509 50 0 IFAARN CS(=O)(=O)NCCNC(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 ZINC000072289647 556484275 /nfs/dbraw/zinc/48/42/75/556484275.db2.gz ZOHKXWKHTNQDMP-UHFFFAOYSA-N 0 0 432.384 2.543 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccco1 ZINC000013138222 556485346 /nfs/dbraw/zinc/48/53/46/556485346.db2.gz WEFZZJVHZDAMJO-UHFFFAOYSA-N 0 0 449.529 2.612 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000029928639 556486448 /nfs/dbraw/zinc/48/64/48/556486448.db2.gz GJASXGPSQDDJHT-UHFFFAOYSA-N 0 0 426.542 2.949 50 0 IFAARN O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000030012135 556489225 /nfs/dbraw/zinc/48/92/25/556489225.db2.gz CLSZQOWBGQZWNZ-UHFFFAOYSA-N 0 0 446.548 2.926 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)cc1C ZINC000013148051 556489416 /nfs/dbraw/zinc/48/94/16/556489416.db2.gz BHRQKSVZMQTMLF-VWLOTQADSA-N 0 0 447.491 2.927 50 0 IFAARN COc1ccc(CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C2CC2)cc1 ZINC000015034331 556489517 /nfs/dbraw/zinc/48/95/17/556489517.db2.gz CGOFKQYCZJQXQD-UHFFFAOYSA-N 0 0 448.516 2.660 50 0 IFAARN O=C(CCNC(=O)c1ccsc1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000030063445 556490218 /nfs/dbraw/zinc/49/02/18/556490218.db2.gz FZDJGWJNFJQFQC-UHFFFAOYSA-N 0 0 447.582 2.632 50 0 IFAARN O=C([C@H]1CCCN(c2cnccn2)C1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000030125130 556490570 /nfs/dbraw/zinc/49/05/70/556490570.db2.gz QHLOYJZWUAOENJ-SFHVURJKSA-N 0 0 449.477 2.936 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)NCCSCc2ccc(Br)s2)CC1 ZINC000030201720 556491306 /nfs/dbraw/zinc/49/13/06/556491306.db2.gz MBPJKLQIHUMSRV-UHFFFAOYSA-N 0 0 441.438 2.532 50 0 IFAARN COc1ccc(CCN2C[C@@H](C(=O)N3CCC(O)(c4ccccc4)CC3)CCC2=O)cc1 ZINC000015063641 556491426 /nfs/dbraw/zinc/49/14/26/556491426.db2.gz TUQRYJWSNCZJCS-NRFANRHFSA-N 0 0 436.552 2.987 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(=O)[nH]n2)c1 ZINC000013150155 556492307 /nfs/dbraw/zinc/49/23/07/556492307.db2.gz CMVWMQDVHRGZIC-UHFFFAOYSA-N 0 0 432.889 2.891 50 0 IFAARN CCCS(=O)(=O)c1ncc(CN(C)Cc2nc3ccccc3[nH]2)n1C[C@H]1CCCO1 ZINC000015065399 556492506 /nfs/dbraw/zinc/49/25/06/556492506.db2.gz QZCPDNHSIGAHKH-QGZVFWFLSA-N 0 0 431.562 2.754 50 0 IFAARN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000015070069 556495098 /nfs/dbraw/zinc/49/50/98/556495098.db2.gz CNMOOTOEQRAOAL-FQEVSTJZSA-N 0 0 439.965 2.959 50 0 IFAARN O=C(Cc1noc2ccccc12)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000013164598 556496822 /nfs/dbraw/zinc/49/68/22/556496822.db2.gz LCJOPODLTZOYHL-UHFFFAOYSA-N 0 0 426.432 2.897 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2c(=O)cc(C)n(Cc3ccccc3OC)c2CC)CC1 ZINC000015072691 556496937 /nfs/dbraw/zinc/49/69/37/556496937.db2.gz QEWWLLRTVQSGIO-UHFFFAOYSA-N 0 0 441.528 2.690 50 0 IFAARN CCCCN1C(=O)c2ccc(C(=O)N3CCN(Cc4csc(C)n4)CC3)cc2C1=O ZINC000030567889 556497930 /nfs/dbraw/zinc/49/79/30/556497930.db2.gz VBWYXCMBPCRCKC-UHFFFAOYSA-N 0 0 426.542 2.806 50 0 IFAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013165069 556498064 /nfs/dbraw/zinc/49/80/64/556498064.db2.gz QABWXLRWXVRTKQ-UHFFFAOYSA-N 0 0 449.617 2.626 50 0 IFAARN Cc1nn2c(nc(N3CCN(c4cc(C)nc5ncnn54)CC3)c3ccccc32)c1Cl ZINC000030587593 556499058 /nfs/dbraw/zinc/49/90/58/556499058.db2.gz MFPMDZFYBPQLMB-UHFFFAOYSA-N 0 0 433.907 2.917 50 0 IFAARN Cc1cc(C)n([C@H](C)C(=O)N(CCNC(=O)[C@H](C)n2nc(C)cc2C)CC(F)(F)F)n1 ZINC000072292812 556501197 /nfs/dbraw/zinc/50/11/97/556501197.db2.gz GZOOHKPKXPTBBY-DLBZAZTESA-N 0 0 442.486 2.643 50 0 IFAARN C[C@H]1CCc2[nH]c3c(cccc3C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)c2C1 ZINC000030685958 556501926 /nfs/dbraw/zinc/50/19/26/556501926.db2.gz QBQKXQMSJBEVRG-HNNXBMFYSA-N 0 0 429.528 2.932 50 0 IFAARN CCC[C@@H](C)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000015088954 556503126 /nfs/dbraw/zinc/50/31/26/556503126.db2.gz PABNKRHLUXSCJP-MRXNPFEDSA-N 0 0 440.562 2.722 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000015098310 556503515 /nfs/dbraw/zinc/50/35/15/556503515.db2.gz YXUPIGRJULTOSK-UHFFFAOYSA-N 0 0 443.569 2.703 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c(OC)c1 ZINC000013402889 556504472 /nfs/dbraw/zinc/50/44/72/556504472.db2.gz SFVPRINPJMQSMK-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN COc1cc(CNC(=O)CNC(=O)c2cccc(Br)c2)cc(OC)c1OC ZINC000015137118 556505715 /nfs/dbraw/zinc/50/57/15/556505715.db2.gz LXWBZEOJLVYOTC-UHFFFAOYSA-N 0 0 437.290 2.521 50 0 IFAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCn2c3ccccc3nc21 ZINC000030794840 556506094 /nfs/dbraw/zinc/50/60/94/556506094.db2.gz FPFLULLTTHJSIU-HNNXBMFYSA-N 0 0 428.489 2.623 50 0 IFAARN CC(C)CC(=O)Nc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1 ZINC000030807444 556506164 /nfs/dbraw/zinc/50/61/64/556506164.db2.gz IGPMYWQBNDRMCO-IBGZPJMESA-N 0 0 425.464 2.869 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 ZINC000013494496 556508803 /nfs/dbraw/zinc/50/88/03/556508803.db2.gz QDQZSUOUJBRIHK-QGZVFWFLSA-N 0 0 431.492 2.661 50 0 IFAARN C[C@H](OC(=O)c1c2c(nc3ccccc31)CCC2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000015222458 556512122 /nfs/dbraw/zinc/51/21/22/556512122.db2.gz PQHXUPPMCXPBIH-ZDUSSCGKSA-N 0 0 439.493 2.555 50 0 IFAARN CCN(C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000013525700 556512320 /nfs/dbraw/zinc/51/23/20/556512320.db2.gz VXZDRTXPFHHIRF-QGZVFWFLSA-N 0 0 427.950 2.731 50 0 IFAARN Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1C ZINC000015245297 556513586 /nfs/dbraw/zinc/51/35/86/556513586.db2.gz HGGKFARIOZHVIN-UZUQRXQVSA-N 0 0 426.469 2.547 50 0 IFAARN CC(C)[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1cnc2ccccc2c1=O ZINC000013555703 556516419 /nfs/dbraw/zinc/51/64/19/556516419.db2.gz BYTGMUNLLUPDQO-QHCPKHFHSA-N 0 0 448.523 2.667 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000030943619 556516907 /nfs/dbraw/zinc/51/69/07/556516907.db2.gz WKWCLBMNPZTOQJ-GOSISDBHSA-N 0 0 437.905 2.854 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccccc1 ZINC000013564824 556518583 /nfs/dbraw/zinc/51/85/83/556518583.db2.gz LWGRZEMEPKONPK-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN Cc1cccc(-c2nnc([C@H](C)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)o2)c1 ZINC000032889898 556519016 /nfs/dbraw/zinc/51/90/16/556519016.db2.gz MLCDPMUJDBTYGU-SFHVURJKSA-N 0 0 433.578 2.844 50 0 IFAARN CCOC(=O)C1=C(CSc2nnc(N)s2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000013566258 556519211 /nfs/dbraw/zinc/51/92/11/556519211.db2.gz SFASTPMVWDRHJS-GFCCVEGCSA-N 0 0 425.923 2.737 50 0 IFAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1csc(COc2ccc(F)cc2)n1 ZINC000032892750 556520389 /nfs/dbraw/zinc/52/03/89/556520389.db2.gz IQHNMATZGXSUNS-IBGZPJMESA-N 0 0 425.485 2.843 50 0 IFAARN CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)C2=O)cc1 ZINC000011077184 556520422 /nfs/dbraw/zinc/52/04/22/556520422.db2.gz YLSBIIHGYBYINU-QFIPXVFZSA-N 0 0 443.525 2.619 50 0 IFAARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1csc(COc2ccc(F)cc2)n1 ZINC000032892752 556520434 /nfs/dbraw/zinc/52/04/34/556520434.db2.gz IQHNMATZGXSUNS-LJQANCHMSA-N 0 0 425.485 2.843 50 0 IFAARN CCn1c(=O)c2ccccc2n(CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c1=O ZINC000011075723 556520504 /nfs/dbraw/zinc/52/05/04/556520504.db2.gz WDNBUPGDCRPFBE-UHFFFAOYSA-N 0 0 428.492 2.980 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1OC)C(=O)OC ZINC000043746977 556520879 /nfs/dbraw/zinc/52/08/79/556520879.db2.gz IMHMHQBFJNVXRB-SOVGHPHASA-N 0 0 430.505 2.672 50 0 IFAARN CCN1CCN(C(=O)[C@H](C)OC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC1 ZINC000032893197 556521013 /nfs/dbraw/zinc/52/10/13/556521013.db2.gz IXXHGZUBMPXMSW-INIZCTEOSA-N 0 0 428.508 2.600 50 0 IFAARN C[C@@H](NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1cc2ccccc2o1 ZINC000015345154 556522226 /nfs/dbraw/zinc/52/22/26/556522226.db2.gz JNHVUDDTVNNTMX-KGLIPLIRSA-N 0 0 448.472 2.659 50 0 IFAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC(=O)Nc2cnccc21 ZINC000072300966 556524169 /nfs/dbraw/zinc/52/41/69/556524169.db2.gz PXDGAENOAJRQBK-JXMROGBWSA-N 0 0 440.525 2.645 50 0 IFAARN O=C1CN(c2ccc3c(c2)OCCO3)C(=O)[C@@H](c2ccco2)N1c1ccc2c(c1)OCCO2 ZINC000015413486 556526411 /nfs/dbraw/zinc/52/64/11/556526411.db2.gz PQSFFRRFHYCBOC-HSZRJFAPSA-N 0 0 448.431 2.943 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000013591594 556529794 /nfs/dbraw/zinc/52/97/94/556529794.db2.gz BOXDUJWURISJAO-HXUWFJFHSA-N 0 0 443.459 2.519 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@H](C)O)N[C@]12C(=O)Nc1ccc(F)cc12 ZINC000013592306 556530326 /nfs/dbraw/zinc/53/03/26/556530326.db2.gz ALNSSYUUUQIIGH-XEUURLQDSA-N 0 0 433.867 2.633 50 0 IFAARN COc1ccccc1OCc1nc2c3c(C)c(C)n(CCN4CCOCC4)c3ncn2n1 ZINC000013593152 556530988 /nfs/dbraw/zinc/53/09/88/556530988.db2.gz IUUIYEFUEAGPKJ-UHFFFAOYSA-N 0 0 436.516 2.616 50 0 IFAARN CCNC(=O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000015503930 556531716 /nfs/dbraw/zinc/53/17/16/556531716.db2.gz AXMPCBSFOYHQIO-HXOBKFHXSA-N 0 0 439.512 2.956 50 0 IFAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000015518158 556532593 /nfs/dbraw/zinc/53/25/93/556532593.db2.gz CBDGGJNBUHNWGZ-LJQANCHMSA-N 0 0 434.544 2.731 50 0 IFAARN CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000015547555 556534313 /nfs/dbraw/zinc/53/43/13/556534313.db2.gz ZEVQDGHJWHOXRX-MRXNPFEDSA-N 0 0 437.587 2.955 50 0 IFAARN COc1ccc(CN(C)C(=O)CSc2nnc3[nH]c4ccccc4n32)c(OC)c1OC ZINC000015565604 556535331 /nfs/dbraw/zinc/53/53/31/556535331.db2.gz VRDRYBPKGDSESM-UHFFFAOYSA-N 0 0 441.513 2.987 50 0 IFAARN COc1ccc(-c2cc(C(=O)NCCC(=O)N3CCOCC3)c3ccccc3n2)cc1OC ZINC000032902229 556535955 /nfs/dbraw/zinc/53/59/55/556535955.db2.gz BTYIGFLKNBXJJZ-UHFFFAOYSA-N 0 0 449.507 2.898 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000013619199 556536025 /nfs/dbraw/zinc/53/60/25/556536025.db2.gz VTUFWDOPVSSWRE-HXUWFJFHSA-N 0 0 446.525 2.518 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000013623689 556536094 /nfs/dbraw/zinc/53/60/94/556536094.db2.gz PCUUOKUGPLLYRE-KRWDZBQOSA-N 0 0 433.505 2.501 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3C(=O)N3CCCC[C@@H]3C2=O)cc1 ZINC000013624145 556536534 /nfs/dbraw/zinc/53/65/34/556536534.db2.gz GANNFVPQFVISKS-HXUWFJFHSA-N 0 0 435.480 2.843 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(F)cc3F)n2N)c(OC)c1 ZINC000032719447 556537317 /nfs/dbraw/zinc/53/73/17/556537317.db2.gz IYRHYSSYGWTJTE-LLVKDONJSA-N 0 0 449.483 2.924 50 0 IFAARN CCOc1ccc(CN(CC)C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1OC ZINC000015613872 556538078 /nfs/dbraw/zinc/53/80/78/556538078.db2.gz WQKOCLGCEGWROH-XMMPIXPASA-N 0 0 439.512 2.910 50 0 IFAARN Cc1cc(C)cc(NC(=O)CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000013628651 556538288 /nfs/dbraw/zinc/53/82/88/556538288.db2.gz PJFPPLBSGARMPL-UHFFFAOYSA-N 0 0 443.569 2.849 50 0 IFAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H]1CCS(=O)(=O)C1)oc1c3CCCC1 ZINC000013629707 556538857 /nfs/dbraw/zinc/53/88/57/556538857.db2.gz WXFMLDOUGLVIQQ-AWEZNQCLSA-N 0 0 443.521 2.962 50 0 IFAARN O=C(c1ccc(C(F)(F)F)cn1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000032903123 556541826 /nfs/dbraw/zinc/54/18/26/556541826.db2.gz UFVFNADQMIWESZ-UHFFFAOYSA-N 0 0 439.459 2.736 50 0 IFAARN NC(=O)C1CCN(C(=O)CSc2nc3ccccc3c3nc(-c4ccccc4)nn32)CC1 ZINC000013640140 556541921 /nfs/dbraw/zinc/54/19/21/556541921.db2.gz ZIQDWXBBUGEMAZ-UHFFFAOYSA-N 0 0 446.536 2.761 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)CC2)c(OC)c1OC ZINC000015679274 556543124 /nfs/dbraw/zinc/54/31/24/556543124.db2.gz YVQPCGNXIHBOOR-UHFFFAOYSA-N 0 0 426.473 2.654 50 0 IFAARN NS(=O)(=O)c1cc(C(=O)Nc2cccc(I)c2)ccc1Cl ZINC000015700115 556544438 /nfs/dbraw/zinc/54/44/38/556544438.db2.gz KTJKQZSBQNGSMN-UHFFFAOYSA-N 0 0 436.658 2.844 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccc(F)c(C)c3)n2N)c(OC)c1 ZINC000032904947 556545007 /nfs/dbraw/zinc/54/50/07/556545007.db2.gz DYONEMHHKPHXAG-UHFFFAOYSA-N 0 0 431.493 2.532 50 0 IFAARN CCN(C(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000032904935 556545012 /nfs/dbraw/zinc/54/50/12/556545012.db2.gz QGKYXMNMXYDQPR-IBGZPJMESA-N 0 0 427.526 2.871 50 0 IFAARN CCOC(=O)[C@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@@H](C)CC ZINC000072303259 556547297 /nfs/dbraw/zinc/54/72/97/556547297.db2.gz ZIIXXBUBSGENLK-APPDUMDISA-N 0 0 437.587 2.801 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)c2cc(I)ccc2Cl)c1 ZINC000015746421 556548229 /nfs/dbraw/zinc/54/82/29/556548229.db2.gz XZAQSZVXLYKDOM-UHFFFAOYSA-N 0 0 436.658 2.844 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 ZINC000032906353 556552189 /nfs/dbraw/zinc/55/21/89/556552189.db2.gz BLPGGQLFYGDAGL-CYBMUJFWSA-N 0 0 438.322 2.539 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1 ZINC000015828907 556554277 /nfs/dbraw/zinc/55/42/77/556554277.db2.gz HTVUCCWEYTYJOV-QGZVFWFLSA-N 0 0 444.484 2.562 50 0 IFAARN O=C(c1ccc(SCCN2CCOCC2)nc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033115241 556554608 /nfs/dbraw/zinc/55/46/08/556554608.db2.gz CWKQDLLANNFAER-UHFFFAOYSA-N 0 0 430.549 2.607 50 0 IFAARN O=C(CSc1ccc(C(=O)N2CCCC2)cn1)N1CCN(c2ccccc2F)CC1 ZINC000032907207 556558756 /nfs/dbraw/zinc/55/87/56/556558756.db2.gz KFTZIQVPWQOAJY-UHFFFAOYSA-N 0 0 428.533 2.898 50 0 IFAARN COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)=C2)c1 ZINC000015860887 556558787 /nfs/dbraw/zinc/55/87/87/556558787.db2.gz JPAGQUIAIQVZQO-QSFXBCCZSA-N 0 0 431.558 2.986 50 0 IFAARN O=C([O-])[C@H](CC(=O)Nc1ccccc1)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000071283841 556559963 /nfs/dbraw/zinc/55/99/63/556559963.db2.gz XCZCVXGNMMHPNZ-OAHLLOKOSA-N 0 0 436.434 2.952 50 0 IFAARN CC[C@@](C)(CCCNC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C)C1OCCO1 ZINC000072306334 556559975 /nfs/dbraw/zinc/55/99/75/556559975.db2.gz XCQLMVTVWUWHAS-RXVVDRJESA-N 0 0 444.569 2.814 50 0 IFAARN O=C([O-])[C@@H](CC(=O)Nc1ccccc1)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000071283840 556560023 /nfs/dbraw/zinc/56/00/23/556560023.db2.gz XCZCVXGNMMHPNZ-HNNXBMFYSA-N 0 0 436.434 2.952 50 0 IFAARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)cc1 ZINC000015894235 556561941 /nfs/dbraw/zinc/56/19/41/556561941.db2.gz GLTDUOHUWOPDNP-QTZVNIFKSA-N 0 0 443.503 2.822 50 0 IFAARN COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCCc2c[nH]c4ccccc24)[C@@H]3C1=O ZINC000015894284 556562005 /nfs/dbraw/zinc/56/20/05/556562005.db2.gz IKGLSQKPYQOTPN-ICLZECGLSA-N 0 0 443.503 2.822 50 0 IFAARN CCS(=O)(=O)N1CCC(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)CC1 ZINC000032907648 556563330 /nfs/dbraw/zinc/56/33/30/556563330.db2.gz BCJNOFHDGNIZRJ-UHFFFAOYSA-N 0 0 429.901 2.986 50 0 IFAARN C[C@H](NC(=O)CSCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 ZINC000032907779 556563704 /nfs/dbraw/zinc/56/37/04/556563704.db2.gz GNLUTECKODFHEL-AWEZNQCLSA-N 0 0 426.494 2.664 50 0 IFAARN O=C(c1ccccc1O)N1CCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000072308216 556564539 /nfs/dbraw/zinc/56/45/39/556564539.db2.gz KDJCDXBALDKTSF-SFHVURJKSA-N 0 0 433.430 2.974 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCNC(=O)c3ccco3)cc2)cc1 ZINC000032908618 556565454 /nfs/dbraw/zinc/56/54/54/556565454.db2.gz VQKPSMLVLBIJTG-UHFFFAOYSA-N 0 0 441.509 2.573 50 0 IFAARN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCOCC3)cc2)c1C ZINC000015934937 556566038 /nfs/dbraw/zinc/56/60/38/556566038.db2.gz IXOXGUUGZCYMIE-UHFFFAOYSA-N 0 0 431.558 2.556 50 0 IFAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN(C)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000072308711 556566777 /nfs/dbraw/zinc/56/67/77/556566777.db2.gz NMTXQZCODOMEJM-HOTGVXAUSA-N 0 0 444.619 2.959 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CN3CCN(CCOC(C)C)CC3)n2)c(OC)c1 ZINC000072308999 556568949 /nfs/dbraw/zinc/56/89/49/556568949.db2.gz LYZPWLIIXZOYQB-UHFFFAOYSA-N 0 0 448.589 2.808 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccco3)N(C)C)CC2)cc1C ZINC000015988852 556571449 /nfs/dbraw/zinc/57/14/49/556571449.db2.gz MKFQWMZYPLWVNI-HXUWFJFHSA-N 0 0 433.574 2.716 50 0 IFAARN COc1ccc(CNC(=O)C[C@H](C)CC2=NS(=O)(=O)c3ccccc3N2)cc1OC ZINC000032961395 556572181 /nfs/dbraw/zinc/57/21/81/556572181.db2.gz FZASKHMZMDSVSZ-CQSZACIVSA-N 0 0 431.514 2.949 50 0 IFAARN CCOc1ccc(CN(C)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000072309761 556573128 /nfs/dbraw/zinc/57/31/28/556573128.db2.gz XYQULCLABSYXLU-IRXDYDNUSA-N 0 0 429.521 2.582 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000016006750 556573334 /nfs/dbraw/zinc/57/33/34/556573334.db2.gz RVSWULHQRRABIR-UTKZUKDTSA-N 0 0 440.993 2.894 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000032909403 556573346 /nfs/dbraw/zinc/57/33/46/556573346.db2.gz XBVDZUYYGJXUHC-UHFFFAOYSA-N 0 0 430.457 2.983 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000016006752 556573380 /nfs/dbraw/zinc/57/33/80/556573380.db2.gz RVSWULHQRRABIR-LAUBAEHRSA-N 0 0 440.993 2.894 50 0 IFAARN O=C(NCCN1CCOCC1)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000001212487 556574426 /nfs/dbraw/zinc/57/44/26/556574426.db2.gz JVSSMWTZNNLUEX-UHFFFAOYSA-N 0 0 443.813 2.724 50 0 IFAARN C[C@@H](C(=O)OCc1cc(=O)n2c3ccccc3sc2n1)N1C(=O)c2ccccc2C1=O ZINC000032910205 556574460 /nfs/dbraw/zinc/57/44/60/556574460.db2.gz VIOXOHWBMXANLA-LBPRGKRZSA-N 0 0 433.445 2.637 50 0 IFAARN C[C@H](C(=O)OCc1cc(=O)n2c3ccccc3sc2n1)N1C(=O)c2ccccc2C1=O ZINC000032910206 556574765 /nfs/dbraw/zinc/57/47/65/556574765.db2.gz VIOXOHWBMXANLA-GFCCVEGCSA-N 0 0 433.445 2.637 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1Cl ZINC000016016907 556574788 /nfs/dbraw/zinc/57/47/88/556574788.db2.gz FUWSBEGBLIMPLY-UHFFFAOYSA-N 0 0 449.916 2.849 50 0 IFAARN O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)N1CCN(Cc2ccccc2)CC1 ZINC000016625701 556575498 /nfs/dbraw/zinc/57/54/98/556575498.db2.gz KOCZDCUJCQQHBQ-OAQYLSRUSA-N 0 0 429.524 2.853 50 0 IFAARN C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NC(=O)NC1CCCCC1 ZINC000032910445 556575681 /nfs/dbraw/zinc/57/56/81/556575681.db2.gz AJQSNCXZLHSPER-CYBMUJFWSA-N 0 0 440.529 2.748 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000032910543 556576242 /nfs/dbraw/zinc/57/62/42/556576242.db2.gz OAVCLHIFXZTJSQ-AAYUJCDTSA-N 0 0 441.528 2.848 50 0 IFAARN Cc1cc(=O)nc2sc(N3CCN(C(=O)CC45CC6CC(CC(C6)C4)C5)CC3)nn21 ZINC000032909770 556576752 /nfs/dbraw/zinc/57/67/52/556576752.db2.gz QJWPUXCCMAZVHC-UHFFFAOYSA-N 0 0 427.574 2.715 50 0 IFAARN Cc1c(NC(=O)OCCSc2nc(N(C)C)nc(N(C)C)n2)sc(=S)n1C ZINC000002989169 556578558 /nfs/dbraw/zinc/57/85/58/556578558.db2.gz DHWGIJGKLHJEBY-UHFFFAOYSA-N 0 0 429.597 2.782 50 0 IFAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)N(c3ccccn3)C3CCCCC3)c2)CC1 ZINC000034657472 556580334 /nfs/dbraw/zinc/58/03/34/556580334.db2.gz MRUFZLPCOOJTCK-UHFFFAOYSA-N 0 0 442.585 2.997 50 0 IFAARN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000016047172 556580666 /nfs/dbraw/zinc/58/06/66/556580666.db2.gz BCQWUYCSUSKCOC-SJCJKPOMSA-N 0 0 436.434 2.820 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000016050599 556581003 /nfs/dbraw/zinc/58/10/03/556581003.db2.gz PEDMBAMWCIQIKL-UHFFFAOYSA-N 0 0 441.303 2.925 50 0 IFAARN Cc1c2cc(Br)ccc2oc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000034889499 556585781 /nfs/dbraw/zinc/58/57/81/556585781.db2.gz NDNUZYXHQNYXGH-UHFFFAOYSA-N 0 0 434.334 2.884 50 0 IFAARN O=C(Nc1cccc(F)c1)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036086095 556592772 /nfs/dbraw/zinc/59/27/72/556592772.db2.gz HYVINQXYCMOHQA-UHFFFAOYSA-N 0 0 434.402 2.973 50 0 IFAARN O=S(=O)(c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1)N1CCOCC1 ZINC000016238173 556593970 /nfs/dbraw/zinc/59/39/70/556593970.db2.gz AQFCRJGTGHLAPU-UHFFFAOYSA-N 0 0 439.990 2.890 50 0 IFAARN COc1ccc(CCNC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000016361135 556602321 /nfs/dbraw/zinc/60/23/21/556602321.db2.gz SILSMZCHSZMEFN-UHFFFAOYSA-N 0 0 443.569 2.667 50 0 IFAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032983996 556603183 /nfs/dbraw/zinc/60/31/83/556603183.db2.gz NIUZAZFAORQYKR-QJVAEYLJSA-N 0 0 432.885 2.629 50 0 IFAARN O=C(CCC(=O)c1cccs1)NCCC(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000016368442 556603649 /nfs/dbraw/zinc/60/36/49/556603649.db2.gz PYGXLKLPRYLPQW-NRFANRHFSA-N 0 0 428.510 2.780 50 0 IFAARN CCOCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000016425904 556606522 /nfs/dbraw/zinc/60/65/22/556606522.db2.gz VVZSIVUTYHYIFS-UHFFFAOYSA-N 0 0 434.558 2.737 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N(C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000016427404 556606779 /nfs/dbraw/zinc/60/67/79/556606779.db2.gz HATNAWVNBQISQC-FQEVSTJZSA-N 0 0 429.586 2.911 50 0 IFAARN Cc1ccccc1S(=O)(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C(=O)[O-])c2c1 ZINC000032985247 556607238 /nfs/dbraw/zinc/60/72/38/556607238.db2.gz UAEGOBSIWKQCCW-UHFFFAOYSA-N 0 0 440.525 2.794 50 0 IFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)NCc3cccc(OC)c3)s2)cc1 ZINC000032987383 556607420 /nfs/dbraw/zinc/60/74/20/556607420.db2.gz SRWFSRWMFJYWFZ-UHFFFAOYSA-N 0 0 442.497 2.641 50 0 IFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)N[C@@H](C)Cc3ccco3)s2)cc1 ZINC000032987399 556607486 /nfs/dbraw/zinc/60/74/86/556607486.db2.gz RKRINKCYBHZIPJ-ZDUSSCGKSA-N 0 0 430.486 2.656 50 0 IFAARN COc1cccc(CNC(=O)COCc2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000032987720 556607994 /nfs/dbraw/zinc/60/79/94/556607994.db2.gz UXTJJAJKPSRIJW-UHFFFAOYSA-N 0 0 430.461 2.771 50 0 IFAARN Cc1csc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(F)cc3)n2C)n1 ZINC000016474901 556610165 /nfs/dbraw/zinc/61/01/65/556610165.db2.gz IIPHUVFMJFTILD-LLVKDONJSA-N 0 0 434.522 2.941 50 0 IFAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(OCC(N)=O)cc2)NC(=O)N1 ZINC000016474801 556610205 /nfs/dbraw/zinc/61/02/05/556610205.db2.gz CEESLDSELCRRGU-SFHVURJKSA-N 0 0 448.401 2.836 50 0 IFAARN CCOC(=O)CN(CC(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000032915658 556613045 /nfs/dbraw/zinc/61/30/45/556613045.db2.gz XSGNOFYPAOCKNF-UHFFFAOYSA-N 0 0 444.981 2.788 50 0 IFAARN CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)ccc1Cl ZINC000016591674 556616802 /nfs/dbraw/zinc/61/68/02/556616802.db2.gz VRZXFCXBFYPKKT-LLVKDONJSA-N 0 0 427.876 2.803 50 0 IFAARN Cc1cc(C(=O)OCC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c(C)n1C1CC1 ZINC000016695211 556628603 /nfs/dbraw/zinc/62/86/03/556628603.db2.gz FHZVWOGBGKWFCT-IBGZPJMESA-N 0 0 428.510 2.941 50 0 IFAARN COC(=O)C[C@H]1C(=O)NCCN1Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000039468556 556629146 /nfs/dbraw/zinc/62/91/46/556629146.db2.gz GEHSCXFFVBGPDM-NRFANRHFSA-N 0 0 434.496 2.743 50 0 IFAARN COCC1CCN(C(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)CC1 ZINC000039485728 556629420 /nfs/dbraw/zinc/62/94/20/556629420.db2.gz OAOIFTKCEGLAPK-UHFFFAOYSA-N 0 0 444.981 2.641 50 0 IFAARN COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n3n2)cc1OC ZINC000016742412 556636289 /nfs/dbraw/zinc/63/62/89/556636289.db2.gz DEEJPVWLQXNORI-KZBAPLJJSA-N 0 0 449.488 2.812 50 0 IFAARN COc1cccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016742497 556636370 /nfs/dbraw/zinc/63/63/70/556636370.db2.gz VJPCELBSBWVQAO-QGZVFWFLSA-N 0 0 449.525 2.551 50 0 IFAARN CN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)CCc3ccccc3)CC2)CC1 ZINC000037525503 556639218 /nfs/dbraw/zinc/63/92/18/556639218.db2.gz TXUXENGVWVFWLQ-UHFFFAOYSA-N 0 0 434.584 2.792 50 0 IFAARN CC(C)C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O)c1nnc2ccccn21 ZINC000409414879 556641312 /nfs/dbraw/zinc/64/13/12/556641312.db2.gz QMRVFTLYUYCNQY-MSOLQXFVSA-N 0 0 434.500 2.838 50 0 IFAARN CC[C@H](Cc1ccccc1)NC(=O)C1CCN(c2nn3c(nc(C)cc3=O)s2)CC1 ZINC000005148993 556642691 /nfs/dbraw/zinc/64/26/91/556642691.db2.gz CYMNULOWRRTARP-GOSISDBHSA-N 0 0 425.558 2.813 50 0 IFAARN Cc1cccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)CC2=O)c1C ZINC000016795119 556643072 /nfs/dbraw/zinc/64/30/72/556643072.db2.gz PASKQPWYPAOYKY-DLBZAZTESA-N 0 0 435.480 2.573 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c1C ZINC000016795098 556643152 /nfs/dbraw/zinc/64/31/52/556643152.db2.gz ZGADJZVMLRKTHB-ZDUSSCGKSA-N 0 0 427.457 2.727 50 0 IFAARN CCC(=O)O[C@]1(C(=O)CO)[C@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000040441888 556643615 /nfs/dbraw/zinc/64/36/15/556643615.db2.gz ITYMTTQVNYAJAA-KRYZWCOHSA-N 0 0 448.531 2.857 50 0 IFAARN CCc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)[nH]1 ZINC000011716593 556644085 /nfs/dbraw/zinc/64/40/85/556644085.db2.gz FSPVFQFAPMHZKW-KBPBESRZSA-N 0 0 437.591 2.765 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)CCCc1nc(C(C)(C)C)no1 ZINC000032922206 556645038 /nfs/dbraw/zinc/64/50/38/556645038.db2.gz XKPWRWSCSBXCEU-UHFFFAOYSA-N 0 0 432.477 2.839 50 0 IFAARN CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000016839898 556645534 /nfs/dbraw/zinc/64/55/34/556645534.db2.gz LWZBGRSHOVOFAW-UHFFFAOYSA-N 0 0 437.905 2.572 50 0 IFAARN COc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4cccc(Cl)c4)c3=O)n2)cc1 ZINC000016845452 556646808 /nfs/dbraw/zinc/64/68/08/556646808.db2.gz XBWFZJWYEOZULM-UHFFFAOYSA-N 0 0 449.858 2.797 50 0 IFAARN CC[C@@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000016846371 556647066 /nfs/dbraw/zinc/64/70/66/556647066.db2.gz IHNYUCLOPFWDBZ-CQSZACIVSA-N 0 0 425.551 2.926 50 0 IFAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)NC[C@H]2CCCO2)C[C@H](C)S3)cc1 ZINC000011726683 556647638 /nfs/dbraw/zinc/64/76/38/556647638.db2.gz YPAKBYBSPKASDV-XJKSGUPXSA-N 0 0 447.582 2.665 50 0 IFAARN CC(C)[C@@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1nc(-c2cccnc2)no1 ZINC000100685008 556649181 /nfs/dbraw/zinc/64/91/81/556649181.db2.gz UASLOHAFSWCJBV-SOLBZPMBSA-N 0 0 425.489 2.510 50 0 IFAARN COc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000016954239 556650044 /nfs/dbraw/zinc/65/00/44/556650044.db2.gz UDEIUNAREDGVHN-UHFFFAOYSA-N 0 0 445.527 2.682 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1cccs1 ZINC000016985541 556652049 /nfs/dbraw/zinc/65/20/49/556652049.db2.gz JIDQWRHJKHJLJM-GFCCVEGCSA-N 0 0 430.935 2.949 50 0 IFAARN COc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000011758683 556653449 /nfs/dbraw/zinc/65/34/49/556653449.db2.gz PLDZFCFXVPCPAM-UHFFFAOYSA-N 0 0 449.496 2.908 50 0 IFAARN Cc1nn(-c2nc(C)c(C(=O)N3CCN(CCO)CC3)s2)c(C)c1Cc1ccccc1 ZINC000033000023 556653982 /nfs/dbraw/zinc/65/39/82/556653982.db2.gz FGJKGQAWBQEBAA-UHFFFAOYSA-N 0 0 439.585 2.595 50 0 IFAARN COCCNS(=O)(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1OC ZINC000017062728 556654911 /nfs/dbraw/zinc/65/49/11/556654911.db2.gz KXPGEDBOUMOUBM-UHFFFAOYSA-N 0 0 436.574 2.566 50 0 IFAARN CS(=O)(=O)N(CCCNC(=O)c1cc(F)ccc1Br)Cc1cccnc1 ZINC000032926405 556655411 /nfs/dbraw/zinc/65/54/11/556655411.db2.gz UQYHCQICTUQGLE-UHFFFAOYSA-N 0 0 444.326 2.565 50 0 IFAARN CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000032928068 556656590 /nfs/dbraw/zinc/65/65/90/556656590.db2.gz OPCBBXUSYQBZIS-AWEZNQCLSA-N 0 0 439.559 2.701 50 0 IFAARN Cc1nnc2ccc(N3CCC(C(=O)N4CCN(c5cccc(C)c5C)CC4)CC3)nn12 ZINC000033009891 556657973 /nfs/dbraw/zinc/65/79/73/556657973.db2.gz HCTRXJDODIMDIM-UHFFFAOYSA-N 0 0 433.560 2.615 50 0 IFAARN O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N1CCN(c2ccccc2)CC1 ZINC000011819185 556658451 /nfs/dbraw/zinc/65/84/51/556658451.db2.gz ZXSDFJDELMLQFA-UHFFFAOYSA-N 0 0 435.572 2.880 50 0 IFAARN Cc1nn(C)cc1[C@@H]1Oc2ccc(O)cc2C2=Nc3ncnn3[C@H](c3cn(C)nc3C)C21 ZINC000017096859 556660642 /nfs/dbraw/zinc/66/06/42/556660642.db2.gz BUSDNXYLHAFKSX-RTWAWAEBSA-N 0 0 430.472 2.627 50 0 IFAARN C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1=O ZINC000011858223 556663570 /nfs/dbraw/zinc/66/35/70/556663570.db2.gz XJRWCXGUVRVVDH-LLVKDONJSA-N 0 0 448.444 2.819 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)CCS[C@H]2CCc3ccccc3NC2=O)cc1 ZINC000011865956 556665739 /nfs/dbraw/zinc/66/57/39/556665739.db2.gz RRPNCACVLBBXFM-IBGZPJMESA-N 0 0 447.582 2.719 50 0 IFAARN C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)[C@@H](C)CN1C(=O)c1ccc2c(c1)OCCO2 ZINC000017102156 556666535 /nfs/dbraw/zinc/66/65/35/556666535.db2.gz ZMXWDHVUZDHASS-IYBDPMFKSA-N 0 0 438.480 2.604 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000017113207 556668141 /nfs/dbraw/zinc/66/81/41/556668141.db2.gz VRSLVORUCUUSML-QKKBWIMNSA-N 0 0 438.484 2.615 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)cc1Cl ZINC000011904651 556670351 /nfs/dbraw/zinc/67/03/51/556670351.db2.gz PHWNCWBZJQJGRF-UHFFFAOYSA-N 0 0 428.919 2.824 50 0 IFAARN Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1ccccc1Cl ZINC000011904782 556670614 /nfs/dbraw/zinc/67/06/14/556670614.db2.gz IQGXUXDTLNDCTL-UHFFFAOYSA-N 0 0 428.919 2.824 50 0 IFAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nn1cnc2scc(-c3ccccc3)c2c1=O ZINC000017172127 556671409 /nfs/dbraw/zinc/67/14/09/556671409.db2.gz HQJKWQCXDQZDPH-HOTGVXAUSA-N 0 0 448.504 2.536 50 0 IFAARN COc1ccccc1C(=O)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011914540 556673874 /nfs/dbraw/zinc/67/38/74/556673874.db2.gz OMAXLFXATORUDS-GFCCVEGCSA-N 0 0 428.304 2.880 50 0 IFAARN C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)O[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000248323070 556679902 /nfs/dbraw/zinc/67/99/02/556679902.db2.gz XMMLNGJTNAUWCH-XGUBFFRZSA-N 0 0 430.954 2.728 50 0 IFAARN COc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)cc(=O)[nH]2)cc1OC ZINC000012006402 556680510 /nfs/dbraw/zinc/68/05/10/556680510.db2.gz CHGCQOPGFXELDR-UHFFFAOYSA-N 0 0 435.440 2.722 50 0 IFAARN COC(=O)[C@@H](C)N1C(=O)/C(=C2/c3cc(Br)ccc3N(C)C2=O)SC1=S ZINC000001810186 556684261 /nfs/dbraw/zinc/68/42/61/556684261.db2.gz PTBXEZGUFVHQDJ-CCDRKZJDSA-N 0 0 441.328 2.558 50 0 IFAARN Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1F ZINC000060322807 556685059 /nfs/dbraw/zinc/68/50/59/556685059.db2.gz KGDOJEFEQQAYBT-SFHVURJKSA-N 0 0 448.545 2.851 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)cc1C ZINC000033021194 556685640 /nfs/dbraw/zinc/68/56/40/556685640.db2.gz RCOJBPUNAMCBJS-MRXNPFEDSA-N 0 0 443.525 2.674 50 0 IFAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc(F)c4)C3)cc2NC1=O ZINC000033021492 556686080 /nfs/dbraw/zinc/68/60/80/556686080.db2.gz ZONFMHGMIPRUAS-ZIAGYGMSSA-N 0 0 447.488 2.585 50 0 IFAARN O=C(/C=C\c1cn(Cc2ccccc2)nn1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000050826404 556687815 /nfs/dbraw/zinc/68/78/15/556687815.db2.gz RJMGFQANCBGNQN-KHPPLWFESA-N 0 0 428.496 2.846 50 0 IFAARN Cc1cc2ncn(C[C@@H](O)CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)c2cc1C ZINC000071949255 556688885 /nfs/dbraw/zinc/68/88/85/556688885.db2.gz FUAMUSMYDLJIHB-CJFMBICVSA-N 0 0 432.524 2.970 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)CC1 ZINC000046005050 556689085 /nfs/dbraw/zinc/68/90/85/556689085.db2.gz OMAYSXJTJXAVCL-UHFFFAOYSA-N 0 0 443.507 2.520 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)C1 ZINC000046005174 556689333 /nfs/dbraw/zinc/68/93/33/556689333.db2.gz YWYVWIOWZVHEPK-INIZCTEOSA-N 0 0 442.903 2.618 50 0 IFAARN Cc1nn(C)c2ncc(C(=O)OCC(=O)Nc3ccnn3Cc3ccccc3Cl)cc12 ZINC000024200229 556691119 /nfs/dbraw/zinc/69/11/19/556691119.db2.gz AYHZQHPBVGCOJD-UHFFFAOYSA-N 0 0 438.875 2.970 50 0 IFAARN CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1 ZINC000000680894 556691233 /nfs/dbraw/zinc/69/12/33/556691233.db2.gz YRZLMZPVQMJPAK-UHFFFAOYSA-N 0 0 445.574 2.620 50 0 IFAARN CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252512438 556691846 /nfs/dbraw/zinc/69/18/46/556691846.db2.gz QOMGLHGUYZOJMY-QZTJIDSGSA-N 0 0 426.560 2.533 50 0 IFAARN Cc1ccccc1N(CC(=O)N(C)Cc1cnn(Cc2ccccc2)c1)S(C)(=O)=O ZINC000024226990 556694791 /nfs/dbraw/zinc/69/47/91/556694791.db2.gz BLTSEFGXPQRISO-UHFFFAOYSA-N 0 0 426.542 2.664 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1OCC ZINC000033024123 556694849 /nfs/dbraw/zinc/69/48/49/556694849.db2.gz VHTTYBIQMOEPCY-KRWDZBQOSA-N 0 0 428.485 2.512 50 0 IFAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1)NC1CC1 ZINC000033024886 556698505 /nfs/dbraw/zinc/69/85/05/556698505.db2.gz ABUWWLNPQOADPA-UHFFFAOYSA-N 0 0 447.948 2.965 50 0 IFAARN Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)N(C)CC(=O)NCc1ccco1 ZINC000033028497 556708919 /nfs/dbraw/zinc/70/89/19/556708919.db2.gz IEJJTSRPZDLMEG-UHFFFAOYSA-N 0 0 447.557 2.587 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CNC(=O)c3ccco3)c2)cc1 ZINC000033028265 556708971 /nfs/dbraw/zinc/70/89/71/556708971.db2.gz VICOPCBZEYPSAH-UHFFFAOYSA-N 0 0 443.481 2.766 50 0 IFAARN COc1cccc(C(=O)OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)c1OC ZINC000011130037 556710726 /nfs/dbraw/zinc/71/07/26/556710726.db2.gz OKLFPRLPVXGJKA-HNNXBMFYSA-N 0 0 435.498 2.521 50 0 IFAARN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN([C@@H]2CCS(=O)(=O)C2)CO4)cc1 ZINC000013688487 556711442 /nfs/dbraw/zinc/71/14/42/556711442.db2.gz REGLNYFGQJTYBC-MRXNPFEDSA-N 0 0 427.478 2.808 50 0 IFAARN CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000033034017 556715165 /nfs/dbraw/zinc/71/51/65/556715165.db2.gz ZOENZJFFMCJHIX-HNNXBMFYSA-N 0 0 434.537 2.564 50 0 IFAARN COc1cccc(CN2CCN(C(=O)[C@@H]3CCC(=O)N(Cc4ccccc4F)C3)CC2)c1 ZINC000019225909 556716924 /nfs/dbraw/zinc/71/69/24/556716924.db2.gz XAZWZIVHOJOTEJ-OAQYLSRUSA-N 0 0 439.531 2.917 50 0 IFAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000138562136 556719194 /nfs/dbraw/zinc/71/91/94/556719194.db2.gz PZSBHXCUDDXJAN-IPMKNSEASA-N 0 0 442.313 2.993 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)Nc3nccs3)CC2)cc1 ZINC000013727397 556720601 /nfs/dbraw/zinc/72/06/01/556720601.db2.gz WDPWLCFRBXRGFT-UHFFFAOYSA-N 0 0 436.559 2.825 50 0 IFAARN Cc1ccccc1S(=O)(=O)N1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000033037575 556723400 /nfs/dbraw/zinc/72/34/00/556723400.db2.gz WBLDMEIDBQZIGB-UHFFFAOYSA-N 0 0 442.516 2.581 50 0 IFAARN CCOc1ccc(CC(=O)OCC(=O)NCc2cccc(OC)c2OC)cc1OCC ZINC000072330944 556728340 /nfs/dbraw/zinc/72/83/40/556728340.db2.gz LIARNTXBDZELTA-UHFFFAOYSA-N 0 0 431.485 2.903 50 0 IFAARN Cc1csc(NC(=O)Cn2nc(N3CCN(c4cccc(Cl)c4)CC3)ccc2=O)n1 ZINC000061721105 556728467 /nfs/dbraw/zinc/72/84/67/556728467.db2.gz NYCMHRKNEIEAGT-UHFFFAOYSA-N 0 0 444.948 2.627 50 0 IFAARN COc1ccc(OC)c(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)c1 ZINC000054274390 556729835 /nfs/dbraw/zinc/72/98/35/556729835.db2.gz OCXYOSKGRDDAMG-UHFFFAOYSA-N 0 0 439.495 2.676 50 0 IFAARN Cc1ccccc1OC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2)CC1 ZINC000055100047 556734657 /nfs/dbraw/zinc/73/46/57/556734657.db2.gz RKTLWFWAJSSQHQ-JOCHJYFZSA-N 0 0 439.531 2.895 50 0 IFAARN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)Cc3cn4ccsc4n3)C2)CC1 ZINC000055100094 556734677 /nfs/dbraw/zinc/73/46/77/556734677.db2.gz DAHPYPBXFHVYPC-IBGZPJMESA-N 0 0 439.585 2.760 50 0 IFAARN COc1cc(Br)c(CC(=O)O[C@H](C)C(=O)NCc2ccco2)cc1OC ZINC000019298793 556734707 /nfs/dbraw/zinc/73/47/07/556734707.db2.gz RILVPLCDXKLGEF-LLVKDONJSA-N 0 0 426.263 2.850 50 0 IFAARN Cc1nc(CN2CCN(c3nc4nonc4nc3NCc3cccs3)CC2)cs1 ZINC000055154700 556736420 /nfs/dbraw/zinc/73/64/20/556736420.db2.gz KRBFVOBXGUBDKV-UHFFFAOYSA-N 0 0 428.547 2.774 50 0 IFAARN Cn1nc2c(c1C(=O)N1CCC[C@@H](N3CCN(c4ccccc4F)CC3)C1)CCCC2 ZINC000055183136 556737374 /nfs/dbraw/zinc/73/73/74/556737374.db2.gz HGXBWXSXMKHFQN-GOSISDBHSA-N 0 0 425.552 2.865 50 0 IFAARN CCN1CCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2COC)CC1 ZINC000055393329 556741253 /nfs/dbraw/zinc/74/12/53/556741253.db2.gz WODQCQBWEOSQHZ-UHFFFAOYSA-N 0 0 426.546 2.623 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000005225224 556744597 /nfs/dbraw/zinc/74/45/97/556744597.db2.gz QDNZZJKMKPJBKK-LJQANCHMSA-N 0 0 428.510 2.923 50 0 IFAARN CC[C@H](OC(=O)[C@H](CCSC)NC(=O)c1ccccc1)C(=O)Nc1nnc(C)s1 ZINC000005225781 556744773 /nfs/dbraw/zinc/74/47/73/556744773.db2.gz FJXSUUDNDQGLGD-GJZGRUSLSA-N 0 0 436.559 2.659 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3nc(C)c(C)s3)C2=O)cc1OC ZINC000206244911 556748892 /nfs/dbraw/zinc/74/88/92/556748892.db2.gz DRONTKOSXXTZII-CQSZACIVSA-N 0 0 432.502 2.616 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc4ccccc4s3)C2=O)cc1OC ZINC000206237989 556749269 /nfs/dbraw/zinc/74/92/69/556749269.db2.gz SZIHFBLUVNTRST-CQSZACIVSA-N 0 0 440.481 2.763 50 0 IFAARN COC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000058003458 556752140 /nfs/dbraw/zinc/75/21/40/556752140.db2.gz IDJKEUAVNIQERZ-UHFFFAOYSA-N 0 0 445.440 2.669 50 0 IFAARN Cc1nnc([C@@H](C)S(=O)(=O)Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000058006607 556752585 /nfs/dbraw/zinc/75/25/85/556752585.db2.gz KWEMIJMZLLYBOW-SSDOTTSWSA-N 0 0 436.803 2.702 50 0 IFAARN CCOc1ccc(C(=O)CCC(=O)N(CCCO)S(=O)(=O)c2cccs2)cc1 ZINC000058014768 556753786 /nfs/dbraw/zinc/75/37/86/556753786.db2.gz XXYYYWBAAJJLKH-UHFFFAOYSA-N 0 0 425.528 2.710 50 0 IFAARN Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc(-n4cncn4)nc3)CCCC2)cc1C ZINC000058051957 556755414 /nfs/dbraw/zinc/75/54/14/556755414.db2.gz HDYRNZDNEBAHMB-UHFFFAOYSA-N 0 0 439.541 2.682 50 0 IFAARN Cc1occc1C(=O)Nc1nc(CC(=O)N(C)Cc2nnc3n2CCCCC3)cs1 ZINC000058054854 556755574 /nfs/dbraw/zinc/75/55/74/556755574.db2.gz CQOXSYAPLIGDDB-UHFFFAOYSA-N 0 0 428.518 2.816 50 0 IFAARN O=C(NCCNc1ncccc1C(F)(F)F)Nc1cccc(Cn2cccnc2=O)c1 ZINC000058067006 556756493 /nfs/dbraw/zinc/75/64/93/556756493.db2.gz SFIKNBAVJKBVNZ-UHFFFAOYSA-N 0 0 432.406 2.939 50 0 IFAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000058111564 556759028 /nfs/dbraw/zinc/75/90/28/556759028.db2.gz XFUHEVVPGSWOGG-FPOVZHCZSA-N 0 0 431.558 2.834 50 0 IFAARN COc1cc(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)ccc1OCc1ccccc1 ZINC000058134915 556760576 /nfs/dbraw/zinc/76/05/76/556760576.db2.gz POJJNDAMALSIBJ-UHFFFAOYSA-N 0 0 433.464 2.742 50 0 IFAARN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000058148278 556761993 /nfs/dbraw/zinc/76/19/93/556761993.db2.gz AWNMUQQXYNGWOW-UZLBHIALSA-N 0 0 431.920 2.679 50 0 IFAARN COc1cccc(N2C[C@H](C(=O)Nc3ccc(CN4C(=O)CSC4=O)cc3)CC2=O)c1 ZINC000058155700 556762526 /nfs/dbraw/zinc/76/25/26/556762526.db2.gz WWEMAZFMVGIXLJ-OAHLLOKOSA-N 0 0 439.493 2.882 50 0 IFAARN CN(C)C(=O)Cn1ccc2cc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)ccc21 ZINC000058156656 556762773 /nfs/dbraw/zinc/76/27/73/556762773.db2.gz BFWJEIHMSUGQBE-UHFFFAOYSA-N 0 0 440.525 2.657 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000058158798 556763482 /nfs/dbraw/zinc/76/34/82/556763482.db2.gz HZZLSTZLJHEACJ-GOSISDBHSA-N 0 0 443.569 2.840 50 0 IFAARN COc1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)cc1S(=O)(=O)NC1CCCC1 ZINC000058160175 556764348 /nfs/dbraw/zinc/76/43/48/556764348.db2.gz WGKMLDNBXSGFFY-UHFFFAOYSA-N 0 0 432.546 2.659 50 0 IFAARN O=S1(=O)CC[C@@H](N2CCN(c3ncnc4cc(-c5ccc(F)cc5)sc43)CC2)C1 ZINC000058160571 556764715 /nfs/dbraw/zinc/76/47/15/556764715.db2.gz UMIBYPQQWNGBLW-MRXNPFEDSA-N 0 0 432.546 2.807 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)c2cccc(Br)c2)cc1 ZINC000058162449 556766020 /nfs/dbraw/zinc/76/60/20/556766020.db2.gz SLGDZAJNCGQTAB-UHFFFAOYSA-N 0 0 433.349 2.525 50 0 IFAARN C[C@@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000058163353 556766334 /nfs/dbraw/zinc/76/63/34/556766334.db2.gz FUCHKCSCJOPVTC-AWEZNQCLSA-N 0 0 425.913 2.813 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(c4ccc(-n5ccnc5)nn4)C3)CC2)c1 ZINC000062022893 556766359 /nfs/dbraw/zinc/76/63/59/556766359.db2.gz NMRIEBKJODMSIK-NRFANRHFSA-N 0 0 445.571 2.844 50 0 IFAARN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccn(Cc3cn4ccccc4n3)n2)CC1=O ZINC000058166362 556766458 /nfs/dbraw/zinc/76/64/58/556766458.db2.gz UKKCMWLNOSIDMO-QGZVFWFLSA-N 0 0 444.495 2.969 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccc2OC)CC1)CC3 ZINC000061992918 556767038 /nfs/dbraw/zinc/76/70/38/556767038.db2.gz GERRVWUYWJSWEF-UHFFFAOYSA-N 0 0 434.540 2.892 50 0 IFAARN O=S(=O)(NC1CCN(Cc2csc(-c3ncccn3)n2)CC1)c1ccc(F)cc1 ZINC000058179592 556770048 /nfs/dbraw/zinc/77/00/48/556770048.db2.gz RUHDWIFRHQWDSP-UHFFFAOYSA-N 0 0 433.534 2.682 50 0 IFAARN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1 ZINC000058203078 556771377 /nfs/dbraw/zinc/77/13/77/556771377.db2.gz XXJGSXQBWQYVSI-WMZOPIPTSA-N 0 0 437.606 2.711 50 0 IFAARN Cc1csc(=O)n1CCC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000058282192 556777246 /nfs/dbraw/zinc/77/72/46/556777246.db2.gz CBTYYDMNOKHSMG-UHFFFAOYSA-N 0 0 427.448 2.612 50 0 IFAARN Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000058289509 556777717 /nfs/dbraw/zinc/77/77/17/556777717.db2.gz VYDFGGPTQMTZMR-UHFFFAOYSA-N 0 0 431.500 2.865 50 0 IFAARN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCNC(=O)c1ccc(C)c(F)c1 ZINC000058355490 556782343 /nfs/dbraw/zinc/78/23/43/556782343.db2.gz HKVZAOLCFGISBY-OPAMFIHVSA-N 0 0 439.531 2.980 50 0 IFAARN CC(C)C(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)C1 ZINC000058354875 556782441 /nfs/dbraw/zinc/78/24/41/556782441.db2.gz IYVWCOYDMNZMRZ-QGZVFWFLSA-N 0 0 431.968 2.527 50 0 IFAARN COC(=O)N1CCC(NS(=O)(=O)c2cc(Cl)cc(Br)c2OC)CC1 ZINC000058378269 556784357 /nfs/dbraw/zinc/78/43/57/556784357.db2.gz FUGSVOGWZMFPEI-UHFFFAOYSA-N 0 0 441.731 2.620 50 0 IFAARN O=C(Nc1cccc(N2CCOC2=O)c1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000058403072 556785595 /nfs/dbraw/zinc/78/55/95/556785595.db2.gz XZJCJEVZFAEKST-ROUUACIJSA-N 0 0 429.473 2.564 50 0 IFAARN C[C@H](NC(=O)CSc1cccc[n+]1[O-])c1cc2c(cc1Br)OCCO2 ZINC000058417411 556787025 /nfs/dbraw/zinc/78/70/25/556787025.db2.gz BFYHNKZHDUDHLE-NSHDSACASA-N 0 0 425.304 2.823 50 0 IFAARN CCOc1ccc(-c2nc(C)c(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)s2)cc1 ZINC000058735986 556791442 /nfs/dbraw/zinc/79/14/42/556791442.db2.gz RNCUXBDRRULCIO-SFHVURJKSA-N 0 0 429.542 2.981 50 0 IFAARN CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(OC[C@@H]2CCCO2)c(OC)c1 ZINC000058953584 556793429 /nfs/dbraw/zinc/79/34/29/556793429.db2.gz RPIAZVSOEOPMDJ-KRWDZBQOSA-N 0 0 433.526 2.977 50 0 IFAARN COc1cc(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc2c1OCO2 ZINC000019549963 556794950 /nfs/dbraw/zinc/79/49/50/556794950.db2.gz FBHOKEKNFYGUPE-UHFFFAOYSA-N 0 0 430.501 2.768 50 0 IFAARN C[C@H]1CCc2c(sc3nc(Cn4c(C(F)(F)F)ccc(C(N)=O)c4=O)nc(N)c32)C1 ZINC000059124468 556795144 /nfs/dbraw/zinc/79/51/44/556795144.db2.gz VVEZQUADLIALRO-QMMMGPOBSA-N 0 0 437.447 2.726 50 0 IFAARN Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1 ZINC000059252298 556795938 /nfs/dbraw/zinc/79/59/38/556795938.db2.gz QXHRQJJPYMCPRZ-UHFFFAOYSA-N 0 0 433.559 2.592 50 0 IFAARN CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(-n3cc(Br)cn3)nc2)c1 ZINC000072401701 556799829 /nfs/dbraw/zinc/79/98/29/556799829.db2.gz RTHMEDNPPHSUGX-UHFFFAOYSA-N 0 0 436.291 2.654 50 0 IFAARN COc1cc(-n2cc(C(=O)NCCc3c[nH]cn3)c3ccccc3c2=O)cc(OC)c1OC ZINC000072402120 556802385 /nfs/dbraw/zinc/80/23/85/556802385.db2.gz ZGDUNXHLJSFDRH-UHFFFAOYSA-N 0 0 448.479 2.712 50 0 IFAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000002726270 556803455 /nfs/dbraw/zinc/80/34/55/556803455.db2.gz XFIFPLMXAHMTJY-UHFFFAOYSA-N 0 0 446.960 2.822 50 0 IFAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000059749671 556803883 /nfs/dbraw/zinc/80/38/83/556803883.db2.gz JRDLDJLRYCTWOO-UHFFFAOYSA-N 0 0 436.578 2.583 50 0 IFAARN O=c1[nH]c(=O)c2cc(S(=O)(=O)N(Cc3cccnc3)c3ccc(Cl)cc3)ccc2[nH]1 ZINC000059829474 556804586 /nfs/dbraw/zinc/80/45/86/556804586.db2.gz YPUWNNQKBAQSAM-UHFFFAOYSA-N 0 0 442.884 2.660 50 0 IFAARN CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)CC1 ZINC000059849842 556804985 /nfs/dbraw/zinc/80/49/85/556804985.db2.gz XQUNHOHRJKYKDE-UHFFFAOYSA-N 0 0 441.557 2.852 50 0 IFAARN Cn1c(SCc2nc(-c3cc(Br)cs3)no2)nnc1N1CCOCC1 ZINC000059833655 556805015 /nfs/dbraw/zinc/80/50/15/556805015.db2.gz LGYLOTUHBXNEFA-UHFFFAOYSA-N 0 0 443.352 2.818 50 0 IFAARN CC1CCN(c2ccc(=O)n(CC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)n2)CC1 ZINC000061718063 556810964 /nfs/dbraw/zinc/81/09/64/556810964.db2.gz SCLRNJPALXRWTE-UHFFFAOYSA-N 0 0 444.963 2.643 50 0 IFAARN COc1ccc(CC(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000097942218 556813016 /nfs/dbraw/zinc/81/30/16/556813016.db2.gz OKELAOVTYLRPQA-FTRWYGJKSA-N 0 0 434.945 2.859 50 0 IFAARN Cc1cccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(F)cc3)C4)CC2)c1 ZINC000097943513 556813219 /nfs/dbraw/zinc/81/32/19/556813219.db2.gz DMNPLPBMETVMSA-OAQYLSRUSA-N 0 0 449.486 2.595 50 0 IFAARN Cc1cccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)CC2)c1 ZINC000097943514 556813250 /nfs/dbraw/zinc/81/32/50/556813250.db2.gz DMNPLPBMETVMSA-NRFANRHFSA-N 0 0 449.486 2.595 50 0 IFAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5cccc(C)c5)CC4)c3CO2)cc1 ZINC000097943648 556813477 /nfs/dbraw/zinc/81/34/77/556813477.db2.gz VMNOJAFKFDVLDL-JOCHJYFZSA-N 0 0 445.523 2.765 50 0 IFAARN COc1cccc(CC(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2cc(C)ccc2C)C3=O)c1 ZINC000097943892 556814890 /nfs/dbraw/zinc/81/48/90/556814890.db2.gz UTJKLCIWNDTUQD-RUZDIDTESA-N 0 0 435.524 2.968 50 0 IFAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)c1nc2nccc(C)n2n1 ZINC000003423350 556814956 /nfs/dbraw/zinc/81/49/56/556814956.db2.gz WNUVVWFPXJJQOF-UHFFFAOYSA-N 0 0 432.440 2.955 50 0 IFAARN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCC[C@H]3CCO)c21 ZINC000005477882 556815670 /nfs/dbraw/zinc/81/56/70/556815670.db2.gz YBDRDFUWJHHRMP-INIZCTEOSA-N 0 0 431.533 2.847 50 0 IFAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1cccc(C(C)=O)c1 ZINC000060388048 556817530 /nfs/dbraw/zinc/81/75/30/556817530.db2.gz ARWUDZOGSJRELO-FQEVSTJZSA-N 0 0 441.480 2.974 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1 ZINC000033062940 556818247 /nfs/dbraw/zinc/81/82/47/556818247.db2.gz OCXSBWBNBKFLOX-UHFFFAOYSA-N 0 0 447.444 2.541 50 0 IFAARN COc1ccc(CNC(=O)CCc2nc(CS(=O)(=O)c3ccc(C)cc3)no2)cc1 ZINC000033062816 556818985 /nfs/dbraw/zinc/81/89/85/556818985.db2.gz KPHQZLNNRYRSSC-UHFFFAOYSA-N 0 0 429.498 2.610 50 0 IFAARN COc1ccc(/C=C\C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)cc1 ZINC000096488319 556821160 /nfs/dbraw/zinc/82/11/60/556821160.db2.gz YITCRSRYIDHEEZ-ADYPVZHUSA-N 0 0 435.542 2.600 50 0 IFAARN C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1ccncc1 ZINC000072403467 556823966 /nfs/dbraw/zinc/82/39/66/556823966.db2.gz KDHYIVMGJNTFGQ-AWEZNQCLSA-N 0 0 436.343 2.925 50 0 IFAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(F)c(F)c3)ccn12)NCCc1ccccc1 ZINC000064591569 556825461 /nfs/dbraw/zinc/82/54/61/556825461.db2.gz FRUOHCBMUKSYSC-UHFFFAOYSA-N 0 0 437.450 2.840 50 0 IFAARN COc1ccc(NC(=O)[C@@H](NC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1Cl ZINC000072403605 556825771 /nfs/dbraw/zinc/82/57/71/556825771.db2.gz LXNMOJGVFOAEKK-SFHVURJKSA-N 0 0 446.939 2.634 50 0 IFAARN COc1cccc(OC)c1C(=O)N1CCCN([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097945166 556826740 /nfs/dbraw/zinc/82/67/40/556826740.db2.gz PBZRCJDOXHRAMI-HXUWFJFHSA-N 0 0 437.540 2.653 50 0 IFAARN Cc1cccc(CNC(=O)c2nn(C)c3c2CN(S(=O)(=O)c2ccc(F)cc2)CC3)c1 ZINC000064893180 556828195 /nfs/dbraw/zinc/82/81/95/556828195.db2.gz LPURLVLETUNWPQ-UHFFFAOYSA-N 0 0 442.516 2.545 50 0 IFAARN Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(C(=O)COc1ccc(F)cc1)C2 ZINC000064893045 556828203 /nfs/dbraw/zinc/82/82/03/556828203.db2.gz ZXYNPDFGHJVZNM-UHFFFAOYSA-N 0 0 440.450 2.592 50 0 IFAARN Cc1cccc(CNC(=O)c2nn(C)c3c2CN(S(=O)(=O)c2ccccc2F)CC3)c1 ZINC000064893234 556828217 /nfs/dbraw/zinc/82/82/17/556828217.db2.gz WWSWETNUOPLZDO-UHFFFAOYSA-N 0 0 442.516 2.545 50 0 IFAARN Cc1ccccc1S(=O)(=O)N1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1 ZINC000064893266 556828425 /nfs/dbraw/zinc/82/84/25/556828425.db2.gz CXXRPGKZKIQBKM-UHFFFAOYSA-N 0 0 442.516 2.545 50 0 IFAARN COc1cc(OC)c(NC(=O)N2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1Cl ZINC000064893496 556828646 /nfs/dbraw/zinc/82/86/46/556828646.db2.gz HONWDTUCIMVPJX-UHFFFAOYSA-N 0 0 447.923 2.917 50 0 IFAARN COc1ccc(NC(=O)N2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc1OC ZINC000064893599 556828661 /nfs/dbraw/zinc/82/86/61/556828661.db2.gz HSGDGWRJQWKMSQ-UHFFFAOYSA-N 0 0 427.505 2.654 50 0 IFAARN O=C(CN1CCN(C(=O)c2n[nH]c3ccccc32)CC1)Nc1ccccc1C(F)(F)F ZINC000019600799 556830904 /nfs/dbraw/zinc/83/09/04/556830904.db2.gz VJIUFCNYQPDBBE-UHFFFAOYSA-N 0 0 431.418 2.978 50 0 IFAARN COc1ccc(C2(CNC(=O)c3ccc(Cl)cc3-n3cnnn3)CCOCC2)cc1 ZINC000072404165 556832676 /nfs/dbraw/zinc/83/26/76/556832676.db2.gz JUQGVNSDCIXSOV-UHFFFAOYSA-N 0 0 427.892 2.803 50 0 IFAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 ZINC000065362229 556834352 /nfs/dbraw/zinc/83/43/52/556834352.db2.gz HJIDCAIRVCFYPW-GOSISDBHSA-N 0 0 434.500 2.680 50 0 IFAARN O=C(C[C@H]([NH2+]CCCN1CCOCC1)C(=O)[O-])Nc1ccc(Nc2ccccc2)cc1 ZINC000022996984 556839211 /nfs/dbraw/zinc/83/92/11/556839211.db2.gz KUEZZGLJBFUHFY-NRFANRHFSA-N 0 0 426.517 2.524 50 0 IFAARN Cc1ccc(C)c(OC[C@H](O)CN2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1 ZINC000096635230 556839635 /nfs/dbraw/zinc/83/96/35/556839635.db2.gz VNMKNJDAFOZNEX-KBIMCKIRSA-N 0 0 430.570 2.661 50 0 IFAARN CCCc1nc2c3cc(OC)c(OC)cc3n(CC(=O)NCc3ccc(C)cc3)c(=O)n2n1 ZINC000062639796 556841435 /nfs/dbraw/zinc/84/14/35/556841435.db2.gz AUALYGUUPVWWCA-UHFFFAOYSA-N 0 0 449.511 2.639 50 0 IFAARN C[C@]1(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)CCS(=O)(=O)C1 ZINC000071966473 556841573 /nfs/dbraw/zinc/84/15/73/556841573.db2.gz FXTUNNCDGVXUFH-AWEZNQCLSA-N 0 0 435.390 2.870 50 0 IFAARN COc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1S(N)(=O)=O ZINC000008694058 556842620 /nfs/dbraw/zinc/84/26/20/556842620.db2.gz ACDWCGHQVNGKOM-UHFFFAOYSA-N 0 0 439.537 2.984 50 0 IFAARN COc1cccc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c1OC ZINC000067620894 556844847 /nfs/dbraw/zinc/84/48/47/556844847.db2.gz BCBOUSNWWTYDTQ-UHFFFAOYSA-N 0 0 436.516 2.567 50 0 IFAARN CC(C)NC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)N2CCN(C)CC2)C1 ZINC000097954608 556850515 /nfs/dbraw/zinc/85/05/15/556850515.db2.gz BBNLCPGVHJJUEI-ZWKOTPCHSA-N 0 0 426.483 2.613 50 0 IFAARN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000008878369 556851966 /nfs/dbraw/zinc/85/19/66/556851966.db2.gz YYOKINWHIOKPNX-WBVHZDCISA-N 0 0 429.542 2.517 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCc3ccc(F)cc3)c(O)c2c1 ZINC000004654445 556855181 /nfs/dbraw/zinc/85/51/81/556855181.db2.gz YPMKMPWHGRVMQB-UHFFFAOYSA-N 0 0 431.489 2.628 50 0 IFAARN Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1ccc(F)c(Br)c1)CC(=O)N2 ZINC000033088109 556855978 /nfs/dbraw/zinc/85/59/78/556855978.db2.gz PSRQENGHGUVGJP-LLVKDONJSA-N 0 0 442.252 2.994 50 0 IFAARN Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c1)NC(=O)CCC2=O ZINC000033123062 556864003 /nfs/dbraw/zinc/86/40/03/556864003.db2.gz CFLYIXWAORSOLL-UHFFFAOYSA-N 0 0 430.530 2.960 50 0 IFAARN COc1ccc(OC)c(CNC(=O)CCn2cnc3c(-c4ccccc4)noc3c2=O)c1 ZINC000033128606 556865810 /nfs/dbraw/zinc/86/58/10/556865810.db2.gz LEPPGMQFMUZKOU-UHFFFAOYSA-N 0 0 434.452 2.775 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c(OC)c1 ZINC000033125440 556866514 /nfs/dbraw/zinc/86/65/14/556866514.db2.gz NXHNWAOYWFZKGD-KRWDZBQOSA-N 0 0 437.496 2.950 50 0 IFAARN CN(C)S(=O)(=O)c1cc2c(s1)SCC(=O)N2CC(=O)Nc1ccc(Cl)cc1 ZINC000033131543 556872197 /nfs/dbraw/zinc/87/21/97/556872197.db2.gz IKJAGJLDWCFQOI-UHFFFAOYSA-N 0 0 445.975 2.729 50 0 IFAARN O=C(NC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1)c1ccccc1 ZINC000011227294 556875658 /nfs/dbraw/zinc/87/56/58/556875658.db2.gz IUCIVQNZVHZNHA-UHFFFAOYSA-N 0 0 441.553 2.506 50 0 IFAARN CCCn1c(=O)c2sc(N3CCC(C)CC3)nc2n(CC(=O)Nc2ccccc2)c1=O ZINC000033141017 556877147 /nfs/dbraw/zinc/87/71/47/556877147.db2.gz KSXYOFBGOFYBMV-UHFFFAOYSA-N 0 0 441.557 2.905 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc(C)cc2F)c1=O ZINC000033141016 556877199 /nfs/dbraw/zinc/87/71/99/556877199.db2.gz AVFIRFGZVHTZBD-UHFFFAOYSA-N 0 0 445.520 2.716 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2cccc(C)c2)c1=O ZINC000033141035 556877220 /nfs/dbraw/zinc/87/72/20/556877220.db2.gz PKMMVNMVLSPHFC-UHFFFAOYSA-N 0 0 441.557 2.967 50 0 IFAARN CSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccc(C(C)C)cc2)CC3)n1C ZINC000033141847 556878334 /nfs/dbraw/zinc/87/83/34/556878334.db2.gz NHVBGVXIYRZOMW-UHFFFAOYSA-N 0 0 446.602 2.808 50 0 IFAARN O=C([C@H]1CC12CCN(C(=O)[C@H]1CCOC1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019739925 556879395 /nfs/dbraw/zinc/87/93/95/556879395.db2.gz IDEUQARRUFRYKP-LDEWMORYSA-N 0 0 437.584 2.509 50 0 IFAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCCc1nc(-c2ccccc2)no1 ZINC000033231663 556888704 /nfs/dbraw/zinc/88/87/04/556888704.db2.gz OWIOLKOCXYTNKD-OAHLLOKOSA-N 0 0 428.514 2.926 50 0 IFAARN CCCCN(CCC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)c1cnc(C)cn1 ZINC000004717433 556888791 /nfs/dbraw/zinc/88/87/91/556888791.db2.gz KTBYVYGGRGEZIM-UHFFFAOYSA-N 0 0 428.533 2.794 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCc3cccs3)CC2)cc1 ZINC000033254662 556891122 /nfs/dbraw/zinc/89/11/22/556891122.db2.gz LVZCLTQOWQSNIG-UHFFFAOYSA-N 0 0 449.598 2.856 50 0 IFAARN CCN1C(=O)c2cc(C(=O)NCCC3=CCCCC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000033249944 556891301 /nfs/dbraw/zinc/89/13/01/556891301.db2.gz UENSGTKNECLIKI-DEOSSOPVSA-N 0 0 441.576 2.797 50 0 IFAARN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000019745322 556892047 /nfs/dbraw/zinc/89/20/47/556892047.db2.gz QUKCUVHKRJXKKR-NHCUHLMSSA-N 0 0 447.507 2.716 50 0 IFAARN CC(C)n1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCc3ccccc3)ccc21 ZINC000033263122 556901137 /nfs/dbraw/zinc/90/11/37/556901137.db2.gz SHFXBXWOJASGPY-OAQYLSRUSA-N 0 0 441.557 2.872 50 0 IFAARN O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)s1 ZINC000033263384 556901524 /nfs/dbraw/zinc/90/15/24/556901524.db2.gz MKJGWQQDWITLKA-CQSZACIVSA-N 0 0 427.530 2.701 50 0 IFAARN CC(C)NC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033263331 556901558 /nfs/dbraw/zinc/90/15/58/556901558.db2.gz MEVKXENEQUXNPC-LBPRGKRZSA-N 0 0 435.937 2.821 50 0 IFAARN O=C(NCc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1 ZINC000033262262 556901895 /nfs/dbraw/zinc/90/18/95/556901895.db2.gz LDGVLYYLIFNSGC-HNNXBMFYSA-N 0 0 432.477 2.526 50 0 IFAARN Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCN2CCOCC2)cc1 ZINC000019781777 556913742 /nfs/dbraw/zinc/91/37/42/556913742.db2.gz BNROTWAQEKDXGW-PGMHBOJBSA-N 0 0 427.932 2.868 50 0 IFAARN COc1cccc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c1OC ZINC000019789994 556914938 /nfs/dbraw/zinc/91/49/38/556914938.db2.gz WNMXDNQTKSURQL-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN CCOC(=O)c1ccc(-n2nnnc2[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000019798448 556916785 /nfs/dbraw/zinc/91/67/85/556916785.db2.gz OTOFEJCTKSBMES-LJQANCHMSA-N 0 0 427.892 2.914 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1Br ZINC000019799168 556916807 /nfs/dbraw/zinc/91/68/07/556916807.db2.gz XCCUKTFIZCDVDR-UHFFFAOYSA-N 0 0 425.348 2.964 50 0 IFAARN COc1ccc(OC)c(NC(=S)N[C@@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)c1 ZINC000019799190 556917066 /nfs/dbraw/zinc/91/70/66/556917066.db2.gz JBUULKPMQNJYGW-NSHDSACASA-N 0 0 429.757 2.958 50 0 IFAARN CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cccc(Br)c1 ZINC000019799683 556917286 /nfs/dbraw/zinc/91/72/86/556917286.db2.gz USZCILXCAQKRRU-UHFFFAOYSA-N 0 0 440.367 2.624 50 0 IFAARN CC(C)c1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000019800224 556917502 /nfs/dbraw/zinc/91/75/02/556917502.db2.gz CTRRKHJTVSPNHY-UHFFFAOYSA-N 0 0 429.586 2.920 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C(=O)c2ccc(F)cc2)n2cc(Cl)ccc2=O)C1 ZINC000019823125 556924631 /nfs/dbraw/zinc/92/46/31/556924631.db2.gz LSQXEIAJPUYUEJ-DNVCBOLYSA-N 0 0 448.878 2.867 50 0 IFAARN Cc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)NCCCN2CCOCC2)cc1 ZINC000019833589 556927331 /nfs/dbraw/zinc/92/73/31/556927331.db2.gz XIHBIUUFLQQPKT-XLNRJJMWSA-N 0 0 425.504 2.744 50 0 IFAARN O=C([C@H]1CCC(=O)N(CCCN2CCOCC2)C1)N1CCC(CCc2ccccc2)CC1 ZINC000019839268 556929136 /nfs/dbraw/zinc/92/91/36/556929136.db2.gz BZTNTINBHLKDAR-DEOSSOPVSA-N 0 0 441.616 2.819 50 0 IFAARN COC(=O)c1cc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc(C(=O)OC)c1 ZINC000019859227 556932032 /nfs/dbraw/zinc/93/20/32/556932032.db2.gz UQZOGDSCSCOBID-UHFFFAOYSA-N 0 0 427.526 2.774 50 0 IFAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019862464 556933950 /nfs/dbraw/zinc/93/39/50/556933950.db2.gz LYPKXYUWZZZPHH-MRXNPFEDSA-N 0 0 434.489 2.793 50 0 IFAARN NC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019868451 556935262 /nfs/dbraw/zinc/93/52/62/556935262.db2.gz ZCORBMAQGMURPD-UHFFFAOYSA-N 0 0 435.933 2.619 50 0 IFAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000019880895 556937071 /nfs/dbraw/zinc/93/70/71/556937071.db2.gz GVINMWYBWOGXFB-SFTDATJTSA-N 0 0 436.512 2.776 50 0 IFAARN COc1ccc(CCC2CCN([C@H]3CC(=O)N(c4cc(C)on4)C3=O)CC2)cc1OC ZINC000019890267 556939346 /nfs/dbraw/zinc/93/93/46/556939346.db2.gz GDHWNNYMUAUJEG-SFHVURJKSA-N 0 0 427.501 2.977 50 0 IFAARN COc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000019897804 556940913 /nfs/dbraw/zinc/94/09/13/556940913.db2.gz BBYJMJUPIVNOLJ-NRFANRHFSA-N 0 0 438.455 2.818 50 0 IFAARN COc1cc2c(cc1OC)[C@H](CN1CCN(Cc3ccc4c(c3)OCO4)CC1)OCC2 ZINC000019933900 556950207 /nfs/dbraw/zinc/95/02/07/556950207.db2.gz CBVGGFVGOHDVCK-DEOSSOPVSA-N 0 0 426.513 2.864 50 0 IFAARN CCOC(=O)[C@](NCCc1ccc(OC)c(OC)c1)(NC(=O)c1ccco1)C(F)(F)F ZINC000019939974 556953603 /nfs/dbraw/zinc/95/36/03/556953603.db2.gz DJFJSOAUANDPAQ-IBGZPJMESA-N 0 0 444.406 2.681 50 0 IFAARN CCc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000019944534 556954177 /nfs/dbraw/zinc/95/41/77/556954177.db2.gz SLZNQHQRFOIPOJ-UHFFFAOYSA-N 0 0 447.543 2.806 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccoc2C)c(=O)[nH]c1=O ZINC000020005705 556958161 /nfs/dbraw/zinc/95/81/61/556958161.db2.gz QMBYDKLNBPENRA-UHFFFAOYSA-N 0 0 426.473 2.676 50 0 IFAARN O=C(CNS(=O)(=O)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020030355 556968647 /nfs/dbraw/zinc/96/86/47/556968647.db2.gz AWGFVGZKOGLEIH-UHFFFAOYSA-N 0 0 449.576 2.899 50 0 IFAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)Cn4cnc5ccccc54)CC3)nn2)nc1 ZINC000072437924 556973073 /nfs/dbraw/zinc/97/30/73/556973073.db2.gz UIMTZOKCMCYNOH-UHFFFAOYSA-N 0 0 428.500 2.622 50 0 IFAARN Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000011232506 556978240 /nfs/dbraw/zinc/97/82/40/556978240.db2.gz DRJJMLJATQGTGE-UHFFFAOYSA-N 0 0 433.559 2.737 50 0 IFAARN COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4cccc(OC)c4)n3)n2)cc1 ZINC000020096231 556979726 /nfs/dbraw/zinc/97/97/26/556979726.db2.gz WIBVGTUJNJSOHV-UHFFFAOYSA-N 0 0 433.424 2.616 50 0 IFAARN CCc1nc2c3cc4c(nc3sc2c(=O)n1CCN1CCOCC1)CC(C)(C)OC4 ZINC000020101314 556980264 /nfs/dbraw/zinc/98/02/64/556980264.db2.gz XMXDHMYXSCFGBC-UHFFFAOYSA-N 0 0 428.558 2.752 50 0 IFAARN COc1ccc([C@H]2NC3=NCN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)cc1OC ZINC000020101761 556980492 /nfs/dbraw/zinc/98/04/92/556980492.db2.gz XBEFSQNRRQJJJP-JTSKRJEESA-N 0 0 448.527 2.776 50 0 IFAARN Cc1nnc(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)s1 ZINC000020102675 556980762 /nfs/dbraw/zinc/98/07/62/556980762.db2.gz CLFFPAHQYWGYNT-MRXNPFEDSA-N 0 0 434.568 2.644 50 0 IFAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccnc4)C3)ccc21 ZINC000033267281 556981843 /nfs/dbraw/zinc/98/18/43/556981843.db2.gz ZGMBXXYOHZUEIB-LJQANCHMSA-N 0 0 426.542 2.773 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000097113296 556989841 /nfs/dbraw/zinc/98/98/41/556989841.db2.gz DPASMOBLHWCYJW-OAQYLSRUSA-N 0 0 446.569 2.614 50 0 IFAARN CCOC(=O)C[C@H]1COCCN1Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000020149121 556990657 /nfs/dbraw/zinc/99/06/57/556990657.db2.gz NDWUVMBPBUDIPN-KRWDZBQOSA-N 0 0 448.589 2.956 50 0 IFAARN O=c1[nH]c(-c2ccc(F)cc2)nc2c1CCN(S(=O)(=O)c1cccc3cccnc31)C2 ZINC000097123916 556990823 /nfs/dbraw/zinc/99/08/23/556990823.db2.gz GHVUVUOONVXCGF-UHFFFAOYSA-N 0 0 436.468 2.871 50 0 IFAARN O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NCC1(N2CCOCC2)CCCC1 ZINC000020166382 556993748 /nfs/dbraw/zinc/99/37/48/556993748.db2.gz JPMFYCQXXGTYFK-UHFFFAOYSA-N 0 0 437.544 2.836 50 0 IFAARN COC[C@@H]1CCCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)C1 ZINC000076910774 556994036 /nfs/dbraw/zinc/99/40/36/556994036.db2.gz AYBJEWWPEGSUAW-QGZVFWFLSA-N 0 0 430.545 2.974 50 0 IFAARN CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)c2c1 ZINC000020177478 556995741 /nfs/dbraw/zinc/99/57/41/556995741.db2.gz SMWGUPOTXSQWEL-SFHVURJKSA-N 0 0 427.545 2.710 50 0 IFAARN O=C(OCCOc1ccccc1F)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000011244291 556998470 /nfs/dbraw/zinc/99/84/70/556998470.db2.gz MFHVNZLOVKVASR-UHFFFAOYSA-N 0 0 425.453 2.988 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020214349 556999187 /nfs/dbraw/zinc/99/91/87/556999187.db2.gz QVFLRMQUGQHQFD-QHCPKHFHSA-N 0 0 434.540 2.988 50 0 IFAARN CCn1c(=O)c(C(=O)CSc2ncccc2Cl)c(N)n(Cc2ccccc2)c1=O ZINC000011249086 557000662 /nfs/dbraw/zinc/00/06/62/557000662.db2.gz VYTDIYVIOMCISG-UHFFFAOYSA-N 0 0 430.917 2.684 50 0 IFAARN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(SC)c2)N2CCOCC2)cc1 ZINC000023107419 557001881 /nfs/dbraw/zinc/00/18/81/557001881.db2.gz GTVUWKXQMMQRIO-HXUWFJFHSA-N 0 0 429.542 2.545 50 0 IFAARN COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C)N2CCOCC2)cc1 ZINC000023107550 557002187 /nfs/dbraw/zinc/00/21/87/557002187.db2.gz JWQYPLSUTQZWOI-FQEVSTJZSA-N 0 0 431.920 2.785 50 0 IFAARN COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)N2CCOCC2)cc1 ZINC000023107544 557002218 /nfs/dbraw/zinc/00/22/18/557002218.db2.gz KVPOBPHQPOZIEW-FQEVSTJZSA-N 0 0 431.920 2.785 50 0 IFAARN COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCOCC2)cc1 ZINC000023107587 557002237 /nfs/dbraw/zinc/00/22/37/557002237.db2.gz ZWTZCODSWDRQSK-QHCPKHFHSA-N 0 0 433.508 2.977 50 0 IFAARN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000020235644 557002315 /nfs/dbraw/zinc/00/23/15/557002315.db2.gz FYAXGHQFIICXCH-UHFFFAOYSA-N 0 0 448.589 2.637 50 0 IFAARN CSc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)c1 ZINC000020275301 557005282 /nfs/dbraw/zinc/00/52/82/557005282.db2.gz WWTCYHJDWJNEOR-UHFFFAOYSA-N 0 0 437.521 2.835 50 0 IFAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(F)c2)N(CCN2CCOCC2)C1=O ZINC000020308464 557006864 /nfs/dbraw/zinc/00/68/64/557006864.db2.gz MIKPPJKQHIGKLS-OAQYLSRUSA-N 0 0 438.455 2.818 50 0 IFAARN Cc1ccc2[nH]c3c(ncn(CCC(=O)N4CCN(Cc5ccccc5)CC4)c3=O)c2c1 ZINC000023125623 557007389 /nfs/dbraw/zinc/00/73/89/557007389.db2.gz SOCDNZXYJOUHGL-UHFFFAOYSA-N 0 0 429.524 2.921 50 0 IFAARN COc1ccccc1CNC(=O)Cn1cnc2c3cc(Br)ccc3[nH]c2c1=O ZINC000023126063 557007731 /nfs/dbraw/zinc/00/77/31/557007731.db2.gz FZDREVWBOFFTCC-UHFFFAOYSA-N 0 0 441.285 2.965 50 0 IFAARN COCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(Cl)cc3)no2)c1=O ZINC000023126568 557008619 /nfs/dbraw/zinc/00/86/19/557008619.db2.gz OBRKMTQLZUWRFG-UHFFFAOYSA-N 0 0 426.860 2.951 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2-c1cccc(OC)c1 ZINC000020345164 557008717 /nfs/dbraw/zinc/00/87/17/557008717.db2.gz PPWGHWFIDXWFMW-UHFFFAOYSA-N 0 0 449.438 2.838 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2-c1ccccc1OC ZINC000020345169 557008736 /nfs/dbraw/zinc/00/87/36/557008736.db2.gz HWFMDXHHQMYDGF-UHFFFAOYSA-N 0 0 449.438 2.838 50 0 IFAARN CCN1CCN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000020362836 557011856 /nfs/dbraw/zinc/01/18/56/557011856.db2.gz ZIYRGMJANITKLX-UHFFFAOYSA-N 0 0 429.586 2.971 50 0 IFAARN CN1CCc2c(sc3nc(SCCN4CCOCC4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020391931 557012789 /nfs/dbraw/zinc/01/27/89/557012789.db2.gz OJZQPIZLTHJOGW-UHFFFAOYSA-N 0 0 442.610 2.859 50 0 IFAARN COc1ccc(C(=O)NC(=N)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCCC1 ZINC000096999105 557012926 /nfs/dbraw/zinc/01/29/26/557012926.db2.gz DHXXPXQTAJPGJG-UHFFFAOYSA-N 0 0 427.935 2.950 50 0 IFAARN CN1CCN(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc4ccccc4c3)C2=O)CC1 ZINC000020414351 557014394 /nfs/dbraw/zinc/01/43/94/557014394.db2.gz IBBHEKRWZBXGJQ-SANMLTNESA-N 0 0 429.520 2.852 50 0 IFAARN Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)c1ccccc1 ZINC000020416433 557014489 /nfs/dbraw/zinc/01/44/89/557014489.db2.gz LAIJIOBKQFTRHK-UHFFFAOYSA-N 0 0 434.518 2.895 50 0 IFAARN CCN(CC)c1cc2c(cc1NC(=O)c1ccc(Br)o1)n(C)c(=O)c(=O)n2C ZINC000045994455 557014665 /nfs/dbraw/zinc/01/46/65/557014665.db2.gz RMKDIQCSWJKLRC-UHFFFAOYSA-N 0 0 449.305 2.691 50 0 IFAARN Cc1ccccc1Cn1cc(NC(=O)C2=CC(c3cccs3)=NS(=O)(=O)N2C)cn1 ZINC000020418683 557014791 /nfs/dbraw/zinc/01/47/91/557014791.db2.gz NDYBFQQBMSVQLB-UHFFFAOYSA-N 0 0 441.538 2.803 50 0 IFAARN COCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3C(=O)Nc3ccccc3)cc2C1=O ZINC000023131424 557016688 /nfs/dbraw/zinc/01/66/88/557016688.db2.gz XZZHXTIVFCHMRT-HXUWFJFHSA-N 0 0 435.480 2.562 50 0 IFAARN CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3c[nH]c4ccccc43)CC2)cc1 ZINC000023135001 557017539 /nfs/dbraw/zinc/01/75/39/557017539.db2.gz FXXCEZHPTMIBOJ-UHFFFAOYSA-N 0 0 431.500 2.500 50 0 IFAARN O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000010687839 557017587 /nfs/dbraw/zinc/01/75/87/557017587.db2.gz FGNPAEQVFQJXLX-UHFFFAOYSA-N 0 0 443.481 2.842 50 0 IFAARN Cn1nc2c(c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc(Cl)s3)C1)CCC2 ZINC000023135745 557018896 /nfs/dbraw/zinc/01/88/96/557018896.db2.gz SWPQUKVSJDHBMN-LLVKDONJSA-N 0 0 428.967 2.663 50 0 IFAARN Cc1nc(COc2cccc(C(=O)NCc3ccc(CS(N)(=O)=O)cc3)c2)cs1 ZINC000010707185 557019392 /nfs/dbraw/zinc/01/93/92/557019392.db2.gz AIIIXXHOZAPGKL-UHFFFAOYSA-N 0 0 431.539 2.749 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)N(C(C)=O)CCS4)CC2)c1 ZINC000032943698 557021445 /nfs/dbraw/zinc/02/14/45/557021445.db2.gz SUNYWMYOJYUSPE-UHFFFAOYSA-N 0 0 447.582 2.665 50 0 IFAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OC ZINC000046016777 557023201 /nfs/dbraw/zinc/02/32/01/557023201.db2.gz PNPVCMDWEUGIIQ-OAHLLOKOSA-N 0 0 433.472 2.890 50 0 IFAARN O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000072040518 557024487 /nfs/dbraw/zinc/02/44/87/557024487.db2.gz KIKLYYCCXDETDO-UHFFFAOYSA-N 0 0 430.349 2.767 50 0 IFAARN C[C@@H](NC(=O)Cn1nc(C(=O)N2CCN(C)CC2)cc1-c1cccs1)c1ccccc1 ZINC000023142264 557024704 /nfs/dbraw/zinc/02/47/04/557024704.db2.gz SNUNBRIKDIFWNF-QGZVFWFLSA-N 0 0 437.569 2.877 50 0 IFAARN NC(=O)c1ccsc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000010771744 557025798 /nfs/dbraw/zinc/02/57/98/557025798.db2.gz GYYAIOXCIFWAHU-SECBINFHSA-N 0 0 433.964 2.601 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCc3ccccn3)C2)c1C ZINC000046046334 557026272 /nfs/dbraw/zinc/02/62/72/557026272.db2.gz VGQUZVUKDZEFGH-SFHVURJKSA-N 0 0 440.544 2.691 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(=C(C)C)C(=O)N4C)CC2)c1 ZINC000046053889 557027022 /nfs/dbraw/zinc/02/70/22/557027022.db2.gz JVWHQWWBLQJYHK-UHFFFAOYSA-N 0 0 441.553 2.976 50 0 IFAARN C[C@@H](Sc1nncn1C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000010800100 557027440 /nfs/dbraw/zinc/02/74/40/557027440.db2.gz OJCVOGQGCZDWKX-GFCCVEGCSA-N 0 0 443.982 2.762 50 0 IFAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)N3CCC4(CC3)OCCO4)c2cc1C ZINC000032945035 557028372 /nfs/dbraw/zinc/02/83/72/557028372.db2.gz MWFQCXJMWGZRMO-AWEZNQCLSA-N 0 0 439.434 2.959 50 0 IFAARN Cc1ccc([C@@H](C)NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1C ZINC000032946548 557032620 /nfs/dbraw/zinc/03/26/20/557032620.db2.gz VXRDFBADUVXBIX-CQSZACIVSA-N 0 0 432.571 2.807 50 0 IFAARN Cc1ccccc1CN1CCCN(c2cccc(C(=O)NCCN3CCOCC3)c2)C1=O ZINC000046079860 557035205 /nfs/dbraw/zinc/03/52/05/557035205.db2.gz OKXUBTSLCHTOFA-UHFFFAOYSA-N 0 0 436.556 2.889 50 0 IFAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000017191020 557036014 /nfs/dbraw/zinc/03/60/14/557036014.db2.gz PJCSPXFEWMEMGW-IBGZPJMESA-N 0 0 446.912 2.881 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000046124798 557037435 /nfs/dbraw/zinc/03/74/35/557037435.db2.gz PSAPIAQTCSINLI-CQSZACIVSA-N 0 0 447.542 2.964 50 0 IFAARN O=C(Cc1ccccc1Br)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000046141569 557042409 /nfs/dbraw/zinc/04/24/09/557042409.db2.gz OOYZPFSMZACMJE-UHFFFAOYSA-N 0 0 437.359 2.961 50 0 IFAARN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(N3CCOCC3)cn2)cs1 ZINC000048235093 557046547 /nfs/dbraw/zinc/04/65/47/557046547.db2.gz DHCQFOJWZKJKJO-UHFFFAOYSA-N 0 0 427.486 2.710 50 0 IFAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)NC2CC2)CC1 ZINC000033269694 557047337 /nfs/dbraw/zinc/04/73/37/557047337.db2.gz IVQZUMNTGHUCJH-UHFFFAOYSA-N 0 0 430.530 2.602 50 0 IFAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)c1 ZINC000048236760 557047636 /nfs/dbraw/zinc/04/76/36/557047636.db2.gz DQXIEPYRMWANDR-UHFFFAOYSA-N 0 0 441.557 2.641 50 0 IFAARN CCc1ccc(NC(=O)[C@H](C)S(=O)(=O)CCCc2nnnn2-c2ccccc2)cc1 ZINC000048230241 557048627 /nfs/dbraw/zinc/04/86/27/557048627.db2.gz INRCTRXHBCIOMY-INIZCTEOSA-N 0 0 427.530 2.599 50 0 IFAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1cccnc1-n1cncn1 ZINC000048231565 557049005 /nfs/dbraw/zinc/04/90/05/557049005.db2.gz LIGNFWRIMIGVGZ-HNNXBMFYSA-N 0 0 448.430 2.800 50 0 IFAARN COc1cccc(CNC(=O)c2ccc(Cn3c4ccccc4n(C)c(=O)c3=O)cc2)c1 ZINC000033272675 557052478 /nfs/dbraw/zinc/05/24/78/557052478.db2.gz PVSWBVCQHYFUBD-UHFFFAOYSA-N 0 0 429.476 2.687 50 0 IFAARN CCOc1ccc(OCC)c(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)c1 ZINC000017307259 557053518 /nfs/dbraw/zinc/05/35/18/557053518.db2.gz XCNUSLJEHZUVPW-UHFFFAOYSA-N 0 0 443.525 2.686 50 0 IFAARN Cc1ccc(C)c(OC[C@@H](O)CN2CCN(C[C@H](O)COc3cc(C)ccc3C)CC2)c1 ZINC000022942632 557053935 /nfs/dbraw/zinc/05/39/35/557053935.db2.gz JBTLCKCVJHHEIW-ZEQRLZLVSA-N 0 0 442.600 2.717 50 0 IFAARN CCOc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000017307929 557054184 /nfs/dbraw/zinc/05/41/84/557054184.db2.gz NFNCCBWIRZWOJK-UHFFFAOYSA-N 0 0 430.464 2.644 50 0 IFAARN CCc1ccc(C(=O)N2CCN(Cc3nc4cc(C(=O)N(C)C)ccc4n3C)CC2)cc1 ZINC000033275530 557054665 /nfs/dbraw/zinc/05/46/65/557054665.db2.gz ZFNSFVCAPJKMCP-UHFFFAOYSA-N 0 0 433.556 2.796 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)CCC3CCCC3)CC1)n2C ZINC000033275532 557054720 /nfs/dbraw/zinc/05/47/20/557054720.db2.gz VFPTXKHJRSWYQJ-UHFFFAOYSA-N 0 0 425.577 2.890 50 0 IFAARN CCC(CC)C(=O)N1CCN(Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)CC1 ZINC000033275505 557054760 /nfs/dbraw/zinc/05/47/60/557054760.db2.gz JAPCJJWKPFGKEE-UHFFFAOYSA-N 0 0 425.577 2.890 50 0 IFAARN COCC(=O)NC1CCN(c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)CC1 ZINC000048290559 557055072 /nfs/dbraw/zinc/05/50/72/557055072.db2.gz IKYWZGOPUGYDPL-UHFFFAOYSA-N 0 0 445.734 2.924 50 0 IFAARN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCC3CC3)c2)cc1 ZINC000022971942 557055069 /nfs/dbraw/zinc/05/50/69/557055069.db2.gz VTCJVYBPHWZNMF-UHFFFAOYSA-N 0 0 442.946 2.684 50 0 IFAARN C[C@H]1CCc2nc(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)sc2C1 ZINC000022972187 557055278 /nfs/dbraw/zinc/05/52/78/557055278.db2.gz XAGNLBUSNVEALG-HNNXBMFYSA-N 0 0 428.558 2.753 50 0 IFAARN FC(F)(F)c1ccc(N2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)nc1 ZINC000022977050 557055363 /nfs/dbraw/zinc/05/53/63/557055363.db2.gz FAUJORIFNPOBKT-UHFFFAOYSA-N 0 0 448.497 2.812 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)nc(CN(C)S(=O)(=O)c1ccc(F)c(Cl)c1)n2C ZINC000033275895 557055707 /nfs/dbraw/zinc/05/57/07/557055707.db2.gz ZADNXXIIUCQFCD-UHFFFAOYSA-N 0 0 438.912 2.888 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 ZINC000022986950 557055835 /nfs/dbraw/zinc/05/58/35/557055835.db2.gz HHTBQHBSSJGXLA-UHFFFAOYSA-N 0 0 443.301 2.565 50 0 IFAARN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000048275778 557056043 /nfs/dbraw/zinc/05/60/43/557056043.db2.gz KSGRSNAZELXKQF-ZNKOEICNSA-N 0 0 446.613 2.934 50 0 IFAARN O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000048278489 557057193 /nfs/dbraw/zinc/05/71/93/557057193.db2.gz FBXCHCJUIWKNNF-XLIONFOSSA-N 0 0 443.548 2.853 50 0 IFAARN CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 ZINC000017316549 557057243 /nfs/dbraw/zinc/05/72/43/557057243.db2.gz ZXVCOPGLICCQGF-UHFFFAOYSA-N 0 0 437.543 2.548 50 0 IFAARN COc1cc(CNC(=O)c2ccc(I)cc2)ccc1OCCO ZINC000048280047 557057408 /nfs/dbraw/zinc/05/74/08/557057408.db2.gz PHGCMDILODGWQU-UHFFFAOYSA-N 0 0 427.238 2.601 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1)N1CCCC1 ZINC000033276791 557057485 /nfs/dbraw/zinc/05/74/85/557057485.db2.gz MEQZNZKGHKBRFV-UHFFFAOYSA-N 0 0 430.530 2.637 50 0 IFAARN Cc1cc(C(=O)NC2CCN(C(=O)c3cccc(NC(=O)c4cccnc4)c3)CC2)no1 ZINC000048285594 557057850 /nfs/dbraw/zinc/05/78/50/557057850.db2.gz UUXQQRXAIYCXSV-UHFFFAOYSA-N 0 0 433.468 2.665 50 0 IFAARN CN(CCc1noc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)C(=O)NCc1ccccc1 ZINC000033278038 557058898 /nfs/dbraw/zinc/05/88/98/557058898.db2.gz WQQCITYTXKPRCD-UHFFFAOYSA-N 0 0 449.511 2.593 50 0 IFAARN CSc1nc(C)c(CCC(=O)O[C@@H](Cn2cncn2)c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000048304308 557059220 /nfs/dbraw/zinc/05/92/20/557059220.db2.gz NSYUYODLBDDPOA-INIZCTEOSA-N 0 0 433.921 2.962 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)cc1C ZINC000023053406 557059811 /nfs/dbraw/zinc/05/98/11/557059811.db2.gz JCCXSBDDAJKINS-LJQANCHMSA-N 0 0 444.553 2.660 50 0 IFAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000023054992 557060474 /nfs/dbraw/zinc/06/04/74/557060474.db2.gz JBOZVPNNVOCRJA-UHFFFAOYSA-N 0 0 449.898 2.701 50 0 IFAARN COc1cc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c(OC)cc1Cl ZINC000048310535 557060556 /nfs/dbraw/zinc/06/05/56/557060556.db2.gz JVDAMOYECSPMHS-FQEVSTJZSA-N 0 0 443.887 2.771 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)n2)c(OC)c1 ZINC000023077710 557062073 /nfs/dbraw/zinc/06/20/73/557062073.db2.gz NWUCLQIIMRISJA-UHFFFAOYSA-N 0 0 430.486 2.630 50 0 IFAARN COC(=O)c1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)o1 ZINC000023077599 557062224 /nfs/dbraw/zinc/06/22/24/557062224.db2.gz FVLIJWVNDLWSCN-UHFFFAOYSA-N 0 0 435.498 2.827 50 0 IFAARN CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)C1 ZINC000033279528 557062302 /nfs/dbraw/zinc/06/23/02/557062302.db2.gz BCANSTIBBDDXBI-AWEZNQCLSA-N 0 0 438.575 2.993 50 0 IFAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(S(=O)(=O)N3CCCCCC3)c1)CS2 ZINC000023078634 557062432 /nfs/dbraw/zinc/06/24/32/557062432.db2.gz GLLRPKSCHOSPGI-XLIONFOSSA-N 0 0 437.587 2.644 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000048301039 557062645 /nfs/dbraw/zinc/06/26/45/557062645.db2.gz XUTVPTZUKFHCOL-INIZCTEOSA-N 0 0 437.479 2.583 50 0 IFAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)c(C)c1 ZINC000048301093 557062686 /nfs/dbraw/zinc/06/26/86/557062686.db2.gz HMBJDOBKMNCUCI-FQEVSTJZSA-N 0 0 435.528 2.770 50 0 IFAARN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000017357714 557063415 /nfs/dbraw/zinc/06/34/15/557063415.db2.gz GZYXVZCPDZNLQU-QFIPXVFZSA-N 0 0 441.597 2.648 50 0 IFAARN COc1cc(CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)cc(OC)c1OC ZINC000048302857 557064478 /nfs/dbraw/zinc/06/44/78/557064478.db2.gz HITONYRULVSYIE-KRWDZBQOSA-N 0 0 434.436 2.934 50 0 IFAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)n1 ZINC000048324325 557065347 /nfs/dbraw/zinc/06/53/47/557065347.db2.gz LHHUMXBMFCJDQG-INIZCTEOSA-N 0 0 433.516 2.815 50 0 IFAARN Cc1c(C(=O)N2CCN(CCO)CC2)sc2ncnc(NCCCc3ccccc3)c12 ZINC000023129266 557066300 /nfs/dbraw/zinc/06/63/00/557066300.db2.gz WYQZBVMAICOLLU-UHFFFAOYSA-N 0 0 439.585 2.795 50 0 IFAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000048312596 557066947 /nfs/dbraw/zinc/06/69/47/557066947.db2.gz AJWPTNSZTVYKLV-XMMPIXPASA-N 0 0 444.495 2.654 50 0 IFAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000048312592 557066953 /nfs/dbraw/zinc/06/69/53/557066953.db2.gz AJWPTNSZTVYKLV-DEOSSOPVSA-N 0 0 444.495 2.654 50 0 IFAARN CCCCNC(=O)Cn1c2ccc(C)cc2c2ncn(Cc3nc(CCC)no3)c(=O)c21 ZINC000033281202 557067226 /nfs/dbraw/zinc/06/72/26/557067226.db2.gz QUVJEXVGEMCDIB-UHFFFAOYSA-N 0 0 436.516 2.960 50 0 IFAARN O=C(CN1CCN(C(=O)c2sc3ncccc3c2-n2cccc2)CC1)N1CCCCC1 ZINC000033298027 557073974 /nfs/dbraw/zinc/07/39/74/557073974.db2.gz VAXQITLTSPWEAJ-UHFFFAOYSA-N 0 0 437.569 2.857 50 0 IFAARN CCN1C[C@@H](CN(C)C(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)Oc2ccccc21 ZINC000048355725 557074013 /nfs/dbraw/zinc/07/40/13/557074013.db2.gz QYPPQAAZABUNQX-TZIWHRDSSA-N 0 0 438.507 2.650 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)c2ccccc2)nn1)Nc1ccc2c(c1)OCO2 ZINC000033298295 557074227 /nfs/dbraw/zinc/07/42/27/557074227.db2.gz NDLLAWKFLNZUNQ-UHFFFAOYSA-N 0 0 429.479 2.769 50 0 IFAARN CCOC(=O)Cc1csc(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 ZINC000023223057 557074514 /nfs/dbraw/zinc/07/45/14/557074514.db2.gz FTTWDTOGSFPQSP-NSHDSACASA-N 0 0 428.557 2.984 50 0 IFAARN COc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1S(=O)(=O)N(C)C ZINC000023228876 557075337 /nfs/dbraw/zinc/07/53/37/557075337.db2.gz ALXXUEUBWFNNSI-SFHVURJKSA-N 0 0 434.514 2.756 50 0 IFAARN COC(=O)c1cc(C)nc2nc(S[C@@H](C)C(=O)Nc3ccc(F)c(F)c3)[nH]c(=O)c21 ZINC000048368332 557075529 /nfs/dbraw/zinc/07/55/29/557075529.db2.gz ASEPPQIJGPJFIA-VIFPVBQESA-N 0 0 434.424 2.811 50 0 IFAARN Cc1c(C(=O)NCc2ccccc2)c(C)n2cnn(CC(=O)Nc3ccc(C)cc3)c(=O)c12 ZINC000033292971 557075881 /nfs/dbraw/zinc/07/58/81/557075881.db2.gz BEUQFQXVUIXVND-UHFFFAOYSA-N 0 0 443.507 2.990 50 0 IFAARN CCN(c1ccc(OC)cc1)S(=O)(=O)c1c[nH]c(-c2nnc(C(=O)N3CCCC3)o2)c1 ZINC000085808984 557076598 /nfs/dbraw/zinc/07/65/98/557076598.db2.gz JQHCMUPKLDLTJL-UHFFFAOYSA-N 0 0 445.501 2.525 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000010900428 557077308 /nfs/dbraw/zinc/07/73/08/557077308.db2.gz BBOBZFULWGMNMB-NRFANRHFSA-N 0 0 441.553 2.813 50 0 IFAARN O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)NCc1ccc2c(c1)OCO2 ZINC000023257745 557079920 /nfs/dbraw/zinc/07/99/20/557079920.db2.gz PMMSHAQQHKAXJL-UHFFFAOYSA-N 0 0 435.446 2.868 50 0 IFAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)OCc1nnc(-c2ccc(Br)o2)o1 ZINC000023267878 557081205 /nfs/dbraw/zinc/08/12/05/557081205.db2.gz NNSRHVCFNCJPJL-LBPRGKRZSA-N 0 0 434.202 2.925 50 0 IFAARN CSc1cccc(NC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)c1 ZINC000048986089 557082266 /nfs/dbraw/zinc/08/22/66/557082266.db2.gz GIQNLRGQJCZCFF-UHFFFAOYSA-N 0 0 447.520 2.787 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3ccc(C(=O)Nc4cccc(C)c4)cn3c2=O)cc1 ZINC000048986723 557082607 /nfs/dbraw/zinc/08/26/07/557082607.db2.gz GUYZKZJTZUZXRI-UHFFFAOYSA-N 0 0 431.452 2.704 50 0 IFAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccc(F)cc3)c2c1=O ZINC000048988127 557083072 /nfs/dbraw/zinc/08/30/72/557083072.db2.gz NEVRXQFCCUJNIC-UHFFFAOYSA-N 0 0 434.471 2.967 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(N1CCSCC1)n(-c1cc(OC)cc(OC)c1)c2=O ZINC000049006463 557085001 /nfs/dbraw/zinc/08/50/01/557085001.db2.gz FOTDNQLZEZBBDQ-UHFFFAOYSA-N 0 0 441.509 2.743 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc3c(Oc4cccc(C)c4C)nccn3c2=O)cc1 ZINC000049008541 557086542 /nfs/dbraw/zinc/08/65/42/557086542.db2.gz BZKUCTXOGAQXJF-UHFFFAOYSA-N 0 0 433.468 2.625 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1nc2c(Oc3cccc(C)c3C)nccn2c1=O ZINC000049008528 557086594 /nfs/dbraw/zinc/08/65/94/557086594.db2.gz SNAVRRAPLOPYIV-UHFFFAOYSA-N 0 0 447.451 2.725 50 0 IFAARN COc1cccc(Oc2nccn3c(=O)n(CC(=O)NCc4ccccc4Cl)nc23)c1 ZINC000049008512 557086631 /nfs/dbraw/zinc/08/66/31/557086631.db2.gz WWPXFBWXUKTJGT-UHFFFAOYSA-N 0 0 439.859 2.662 50 0 IFAARN CCc1ccccc1Sc1nccn2c(=O)n(CC(=O)NCc3ccc(OC)cc3)nc12 ZINC000049009222 557087155 /nfs/dbraw/zinc/08/71/55/557087155.db2.gz DQBLZHKIJJIFRY-UHFFFAOYSA-N 0 0 449.536 2.930 50 0 IFAARN CSc1ncc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cn1 ZINC000023368769 557088432 /nfs/dbraw/zinc/08/84/32/557088432.db2.gz QQSOMGKOUKOWPN-LJQANCHMSA-N 0 0 440.617 2.935 50 0 IFAARN O=C(Cn1c(=O)c2ccccc2nc1N1CCCCC1)N1CCN(c2ccccc2)CC1 ZINC000033308561 557089166 /nfs/dbraw/zinc/08/91/66/557089166.db2.gz UDZNFUVBRUYFIB-UHFFFAOYSA-N 0 0 431.540 2.736 50 0 IFAARN COc1cccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2-c2cccnc2)c1 ZINC000049003631 557091438 /nfs/dbraw/zinc/09/14/38/557091438.db2.gz DIHCXGBEGANJIE-UHFFFAOYSA-N 0 0 429.436 2.997 50 0 IFAARN O=c1cc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2ccc(O)cc2o1 ZINC000023424478 557092219 /nfs/dbraw/zinc/09/22/19/557092219.db2.gz GKWSMYJGBWEXQO-UHFFFAOYSA-N 0 0 434.901 2.659 50 0 IFAARN O=c1ccc(-c2ccc3c(c2)OCO3)nn1CCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000033309742 557092337 /nfs/dbraw/zinc/09/23/37/557092337.db2.gz YATJCHWVCWYALW-UHFFFAOYSA-N 0 0 432.392 2.660 50 0 IFAARN Cc1ccc(CNC(=O)NCCn2cnc3cc(S(=O)(=O)NC(C)C)ccc32)cc1 ZINC000033310085 557093296 /nfs/dbraw/zinc/09/32/96/557093296.db2.gz RABZSVDMLSYQNN-UHFFFAOYSA-N 0 0 429.546 2.531 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)c1C ZINC000023469928 557093524 /nfs/dbraw/zinc/09/35/24/557093524.db2.gz GMIIURNEIUUMGP-MRXNPFEDSA-N 0 0 443.500 2.725 50 0 IFAARN CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(-c4ccc(=O)[nH]n4)cc3)cn2)cc1 ZINC000049343575 557094337 /nfs/dbraw/zinc/09/43/37/557094337.db2.gz ZWLJCMYKXISTEG-UHFFFAOYSA-N 0 0 443.463 2.698 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c(N4C[C@H](C)C[C@H](C)C4)nccn3c2=O)c(Cl)c1 ZINC000049400277 557095876 /nfs/dbraw/zinc/09/58/76/557095876.db2.gz OZLPQZVJTDJHBS-GASCZTMLSA-N 0 0 428.924 2.974 50 0 IFAARN C[C@@H]1C[C@H](C)CN(c2nccn3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)nc23)C1 ZINC000049400237 557095894 /nfs/dbraw/zinc/09/58/94/557095894.db2.gz VFFCURIWCGHADR-BETUJISGSA-N 0 0 432.887 2.805 50 0 IFAARN COc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccc(C)cc3)NC2=O)c(OC)c1 ZINC000049402893 557098269 /nfs/dbraw/zinc/09/82/69/557098269.db2.gz CXDZQUVXTDGTKQ-NRFANRHFSA-N 0 0 437.452 2.528 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(c2nc(C)nc3sc4c(c32)CCC4)CC1 ZINC000017590546 557099128 /nfs/dbraw/zinc/09/91/28/557099128.db2.gz MVJXKBIRRHOKAA-UHFFFAOYSA-N 0 0 447.586 2.994 50 0 IFAARN Cc1ccc(CNC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)n1C ZINC000023574957 557099382 /nfs/dbraw/zinc/09/93/82/557099382.db2.gz SOUCIYFZYNBPAT-UHFFFAOYSA-N 0 0 433.555 2.915 50 0 IFAARN Cc1cc(F)ccc1NC(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 ZINC000049404388 557099611 /nfs/dbraw/zinc/09/96/11/557099611.db2.gz GCVZMNJUZLFQKH-UHFFFAOYSA-N 0 0 426.477 2.733 50 0 IFAARN CC(C)n1c(=O)c2nscc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O ZINC000049403880 557099615 /nfs/dbraw/zinc/09/96/15/557099615.db2.gz LPCXWEWVZFYLSQ-UHFFFAOYSA-N 0 0 441.282 2.741 50 0 IFAARN Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1nccs1 ZINC000072191880 557102183 /nfs/dbraw/zinc/10/21/83/557102183.db2.gz HKHLTDIKZGJUFA-VOTSOKGWSA-N 0 0 448.961 2.985 50 0 IFAARN COc1cccc(C(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c1 ZINC000023642801 557102506 /nfs/dbraw/zinc/10/25/06/557102506.db2.gz MROCWEQEYGVHIN-UHFFFAOYSA-N 0 0 446.525 2.585 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3nn(Cc4ccc(F)cc4Cl)c(=O)n3c2)CC1 ZINC000049408004 557102757 /nfs/dbraw/zinc/10/27/57/557102757.db2.gz AWCJMJYMEWHYIM-UHFFFAOYSA-N 0 0 438.912 2.757 50 0 IFAARN O=c1n2cc(S(=O)(=O)N3CCCCCC3)ccc2nn1Cc1c(F)cccc1Cl ZINC000049408058 557102883 /nfs/dbraw/zinc/10/28/83/557102883.db2.gz HXGJZNQWWHFSIL-UHFFFAOYSA-N 0 0 438.912 2.902 50 0 IFAARN O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1F)c1ccc2c(c1)OCO2 ZINC000049408380 557103174 /nfs/dbraw/zinc/10/31/74/557103174.db2.gz VAWFTQKKMIZCOC-UHFFFAOYSA-N 0 0 426.429 2.993 50 0 IFAARN CC1CCN(S(=O)(=O)c2cccn(CC(=O)Nc3ccc(F)c(Cl)c3)c2=O)CC1 ZINC000049409144 557103995 /nfs/dbraw/zinc/10/39/95/557103995.db2.gz GPSWMBHDGCVKOG-UHFFFAOYSA-N 0 0 441.912 2.700 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)c(C)c1 ZINC000049409079 557104071 /nfs/dbraw/zinc/10/40/71/557104071.db2.gz AADHZTDPBKHFBB-UHFFFAOYSA-N 0 0 431.558 2.833 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)c(C)c1 ZINC000049409204 557104300 /nfs/dbraw/zinc/10/43/00/557104300.db2.gz LUCASCWEOZJIAM-UHFFFAOYSA-N 0 0 431.558 2.977 50 0 IFAARN O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)Nc1ccc(F)cc1Cl ZINC000049409263 557104333 /nfs/dbraw/zinc/10/43/33/557104333.db2.gz QKVWUKVGURAHSY-UHFFFAOYSA-N 0 0 441.912 2.844 50 0 IFAARN COc1ccc(CC(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)cc1OC ZINC000585147309 557104500 /nfs/dbraw/zinc/10/45/00/557104500.db2.gz RQKNCZYVGSDJLZ-OAHLLOKOSA-N 0 0 436.306 2.869 50 0 IFAARN CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3cc(C)ccc3C)CC2)c1=O ZINC000049409844 557105227 /nfs/dbraw/zinc/10/52/27/557105227.db2.gz PISJTXKMDVRPJO-UHFFFAOYSA-N 0 0 441.557 2.526 50 0 IFAARN Cc1ccc(CNC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)cc1 ZINC000049411514 557106605 /nfs/dbraw/zinc/10/66/05/557106605.db2.gz VDCYJRJNJCMJPJ-UHFFFAOYSA-N 0 0 440.500 2.945 50 0 IFAARN COCCCNC(=O)Cn1c2nc(-c3ccccc3)nn2c(=O)c(Cc2ccccc2)c1C ZINC000033324743 557106665 /nfs/dbraw/zinc/10/66/65/557106665.db2.gz YGJAKDNZWQFPJP-UHFFFAOYSA-N 0 0 445.523 2.610 50 0 IFAARN O=C(Cn1nc(C2CC2)cc1C(=O)N1CCCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000049420848 557107174 /nfs/dbraw/zinc/10/71/74/557107174.db2.gz CMSAMGMUNGHOTG-UHFFFAOYSA-N 0 0 441.963 2.999 50 0 IFAARN COc1ccc(-c2nc3n(c2C(=O)Nc2cc(OC)ccc2OC)CCS3(=O)=O)cc1 ZINC000086069316 557108127 /nfs/dbraw/zinc/10/81/27/557108127.db2.gz DYWYTBAHPAPJTP-UHFFFAOYSA-N 0 0 443.481 2.616 50 0 IFAARN CCOc1ccc(NC(=O)c2c(-c3ccc(OC)cc3)nc3n2CCS3(=O)=O)cc1 ZINC000086069314 557108130 /nfs/dbraw/zinc/10/81/30/557108130.db2.gz AXPUTVIIYRQANH-UHFFFAOYSA-N 0 0 427.482 2.997 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCN(Cc3noc(-c4ccc(F)cc4)n3)CC2)c1 ZINC000033327607 557110315 /nfs/dbraw/zinc/11/03/15/557110315.db2.gz OQTWEOBYYHDZEA-UHFFFAOYSA-N 0 0 426.448 2.851 50 0 IFAARN Cc1noc(/C=C/N2CCOCC2)c1S(=O)(=O)N(C)CCc1ccc(Cl)cc1 ZINC000049539914 557110425 /nfs/dbraw/zinc/11/04/25/557110425.db2.gz CSRDFGYLIOFYMT-CSKARUKUSA-N 0 0 425.938 2.803 50 0 IFAARN CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccco1 ZINC000017723641 557112438 /nfs/dbraw/zinc/11/24/38/557112438.db2.gz KCZSYVAXHVWOSI-QLFBSQMISA-N 0 0 434.566 2.728 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000023744603 557113696 /nfs/dbraw/zinc/11/36/96/557113696.db2.gz AEISDQDYAIIODK-MOPGFXCFSA-N 0 0 447.626 2.789 50 0 IFAARN Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 ZINC000011365326 557113993 /nfs/dbraw/zinc/11/39/93/557113993.db2.gz DROUPXXPDNUSLZ-IRXDYDNUSA-N 0 0 431.562 2.721 50 0 IFAARN C[C@@H](Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)C(=O)Nc1ccccc1F ZINC000011364655 557114018 /nfs/dbraw/zinc/11/40/18/557114018.db2.gz GOZUZRHVKYXRDU-CABCVRRESA-N 0 0 435.525 2.552 50 0 IFAARN CCCCN1C(=O)C[C@@H](C(=O)N2CCN(C(=O)C(C)C)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000049605842 557115210 /nfs/dbraw/zinc/11/52/10/557115210.db2.gz ADFFSZVJACTIJC-IRLDBZIGSA-N 0 0 429.561 2.712 50 0 IFAARN O=C(COc1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000023786883 557116132 /nfs/dbraw/zinc/11/61/32/557116132.db2.gz VBEGUGYKUQWXJR-UHFFFAOYSA-N 0 0 447.329 2.944 50 0 IFAARN O=C(c1cccc2ccccc21)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000049581396 557116492 /nfs/dbraw/zinc/11/64/92/557116492.db2.gz BSBGLCWNHOPRMC-QHCPKHFHSA-N 0 0 449.551 2.542 50 0 IFAARN O=C(c1cccc2ccccc21)N1CCC(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000049581398 557116500 /nfs/dbraw/zinc/11/65/00/557116500.db2.gz BSBGLCWNHOPRMC-HSZRJFAPSA-N 0 0 449.551 2.542 50 0 IFAARN O=C(CCc1nc2ccccc2s1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000023806034 557117715 /nfs/dbraw/zinc/11/77/15/557117715.db2.gz VIVCZDYIMXQNGR-UHFFFAOYSA-N 0 0 439.566 2.643 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2)C1 ZINC000049694055 557118070 /nfs/dbraw/zinc/11/80/70/557118070.db2.gz LWIVLSFDCSLVML-JICACKBISA-N 0 0 432.546 2.863 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN23)cc1 ZINC000017751876 557118095 /nfs/dbraw/zinc/11/80/95/557118095.db2.gz BNQWFBYQJUWALC-LWYYNNOASA-N 0 0 435.867 2.946 50 0 IFAARN COC(=O)C[C@@]1(C(=O)OC)Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 ZINC000585157922 557119369 /nfs/dbraw/zinc/11/93/69/557119369.db2.gz MQTWLMUGRYCDMF-XMMPIXPASA-N 0 0 448.479 2.910 50 0 IFAARN CCCN1C(=O)C(=O)N(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)C1=O ZINC000023842286 557119475 /nfs/dbraw/zinc/11/94/75/557119475.db2.gz HDYJTOUQNSXRME-NRFANRHFSA-N 0 0 437.496 2.810 50 0 IFAARN CCC(=O)N(c1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1)C1CC1 ZINC000023844347 557119600 /nfs/dbraw/zinc/11/96/00/557119600.db2.gz GUTSZRAZPOSFSI-UHFFFAOYSA-N 0 0 445.614 2.880 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1cccs1 ZINC000098086664 557122326 /nfs/dbraw/zinc/12/23/26/557122326.db2.gz RQMIOMWGDWQIJK-DDYRAIOVSA-N 0 0 435.530 2.951 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)NN1 ZINC000000631872 557123129 /nfs/dbraw/zinc/12/31/29/557123129.db2.gz RRXSANOWNIKJIX-VGOFRKELSA-N 0 0 441.871 2.646 50 0 IFAARN O=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008778697 557123575 /nfs/dbraw/zinc/12/35/75/557123575.db2.gz YLUKIDHTYNPQEQ-UHFFFAOYSA-N 0 0 426.542 2.644 50 0 IFAARN CCn1c(CN(C)CCOc2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023908149 557124747 /nfs/dbraw/zinc/12/47/47/557124747.db2.gz WWMRPIIQQAIASJ-UHFFFAOYSA-N 0 0 446.573 2.826 50 0 IFAARN NS(=O)(=O)c1ccc(CCC(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000017831814 557124895 /nfs/dbraw/zinc/12/48/95/557124895.db2.gz LHKUMDVNUWHPJU-UHFFFAOYSA-N 0 0 425.890 2.825 50 0 IFAARN CCOc1ccc(CN2CCN(S(=O)(=O)c3cc(NC(C)=O)ccc3C)CC2)cc1 ZINC000024712790 557125201 /nfs/dbraw/zinc/12/52/01/557125201.db2.gz CILHKINCIBKQBN-UHFFFAOYSA-N 0 0 431.558 2.859 50 0 IFAARN O=C(CCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc2c(c1)CCC2 ZINC000017847236 557125942 /nfs/dbraw/zinc/12/59/42/557125942.db2.gz VBPKVXPQXNTPRM-UHFFFAOYSA-N 0 0 440.565 2.812 50 0 IFAARN CC(=O)Oc1ccc(OC(C)=O)c(C2=C3C(=O)N(Cc4ccccc4)CC(=O)N3CCC2)c1 ZINC000000653362 557130033 /nfs/dbraw/zinc/13/00/33/557130033.db2.gz ACXOBEFXYVRAIC-UHFFFAOYSA-N 0 0 448.475 2.913 50 0 IFAARN COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)N2CCCC2)cc1 ZINC000023994263 557130507 /nfs/dbraw/zinc/13/05/07/557130507.db2.gz WFGNYUQAXGZDPQ-FQEVSTJZSA-N 0 0 432.542 2.972 50 0 IFAARN Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000024085743 557135831 /nfs/dbraw/zinc/13/58/31/557135831.db2.gz KSRFRZRDADKCRH-KOSHJBKYSA-N 0 0 440.496 2.672 50 0 IFAARN CC(C)c1ccc(-n2ccnc2SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1 ZINC000024193981 557140507 /nfs/dbraw/zinc/14/05/07/557140507.db2.gz PILBGAMERNGOED-UHFFFAOYSA-N 0 0 437.525 2.924 50 0 IFAARN COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000024363859 557141342 /nfs/dbraw/zinc/14/13/42/557141342.db2.gz XIRJXLNJQWAFSA-UHFFFAOYSA-N 0 0 442.459 2.999 50 0 IFAARN CNS(=O)(=O)c1ccc(CCC(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000024243311 557141776 /nfs/dbraw/zinc/14/17/76/557141776.db2.gz CAMHFKUBVZXZMR-UHFFFAOYSA-N 0 0 430.526 2.507 50 0 IFAARN Cc1nn(CC(C)C)c2sc(C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)cc12 ZINC000069898040 557142112 /nfs/dbraw/zinc/14/21/12/557142112.db2.gz QZZDBAAEVBJXLD-UHFFFAOYSA-N 0 0 437.543 2.945 50 0 IFAARN O=C([C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000024457855 557147334 /nfs/dbraw/zinc/14/73/34/557147334.db2.gz VYXYHLMHJWBYKI-PMACEKPBSA-N 0 0 429.524 2.977 50 0 IFAARN COc1cccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(C)c(C)c2)c1 ZINC000000717712 557148467 /nfs/dbraw/zinc/14/84/67/557148467.db2.gz QKUJLZKSZQTHSG-UHFFFAOYSA-N 0 0 429.480 2.968 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(Cc2ccco2)Cc2ccco2)C1=O ZINC000024809601 557149547 /nfs/dbraw/zinc/14/95/47/557149547.db2.gz HLQRRALGCKZXPR-QHCPKHFHSA-N 0 0 436.468 2.763 50 0 IFAARN Cc1cc(OCC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)ccc1Cl ZINC000024527283 557150122 /nfs/dbraw/zinc/15/01/22/557150122.db2.gz YOCPAKMEUSMYES-UHFFFAOYSA-N 0 0 425.920 2.897 50 0 IFAARN Cn1c2nc3n(cc(-c4ccc(Cl)cc4)n3C[C@@H](O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000000720379 557152419 /nfs/dbraw/zinc/15/24/19/557152419.db2.gz SOXULTFYCWMQCJ-GOSISDBHSA-N 0 0 449.898 2.740 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000023290670 557155095 /nfs/dbraw/zinc/15/50/95/557155095.db2.gz NTZPSWDCJPVWSU-UHFFFAOYSA-N 0 0 448.489 2.920 50 0 IFAARN COC(=O)c1csc(N2N=C3c4ccc(OC)cc4CC[C@H]3[C@@]2(O)C(F)(F)F)n1 ZINC000016957618 557159260 /nfs/dbraw/zinc/15/92/60/557159260.db2.gz GUGKDIFGPJWWEK-SJKOYZFVSA-N 0 0 427.404 2.976 50 0 IFAARN CCc1c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cnn1-c1ccc(F)cc1 ZINC000024741176 557161020 /nfs/dbraw/zinc/16/10/20/557161020.db2.gz AKWUQUIMSSIDAS-UHFFFAOYSA-N 0 0 427.480 2.558 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 ZINC000024738609 557161052 /nfs/dbraw/zinc/16/10/52/557161052.db2.gz JPDPUQNHGRVURF-NRFANRHFSA-N 0 0 443.569 2.862 50 0 IFAARN CCOc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc32)cc1S(=O)(=O)N(CC)CC ZINC000011547256 557162066 /nfs/dbraw/zinc/16/20/66/557162066.db2.gz IKWDRZRQDRUARX-UHFFFAOYSA-N 0 0 444.513 2.605 50 0 IFAARN CS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000206787149 557163494 /nfs/dbraw/zinc/16/34/94/557163494.db2.gz JNSMVMVUEVBLDN-INIZCTEOSA-N 0 0 441.475 2.832 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000024757022 557163609 /nfs/dbraw/zinc/16/36/09/557163609.db2.gz KGGKCZPEWVCSCI-UHFFFAOYSA-N 0 0 448.570 2.914 50 0 IFAARN Cc1cc(C)cc(-n2ncc3c2ncn(CCC(=O)NC(=O)NCc2ccccc2)c3=O)c1 ZINC000024759200 557163916 /nfs/dbraw/zinc/16/39/16/557163916.db2.gz HVAIZUHVZABJQC-UHFFFAOYSA-N 0 0 444.495 2.615 50 0 IFAARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(OC)c(OC)c1OC ZINC000206801787 557165066 /nfs/dbraw/zinc/16/50/66/557165066.db2.gz QQOHZBODTQJWKT-BBRMVZONSA-N 0 0 433.432 2.687 50 0 IFAARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(OC)c(OC)c1OC ZINC000206801700 557165151 /nfs/dbraw/zinc/16/51/51/557165151.db2.gz QQOHZBODTQJWKT-XJKSGUPXSA-N 0 0 433.432 2.687 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1cccc(F)c1 ZINC000024772146 557166191 /nfs/dbraw/zinc/16/61/91/557166191.db2.gz YUPPHXAFRICBKU-VFNWGFHPSA-N 0 0 436.443 2.547 50 0 IFAARN CCCn1c(=O)c2cc(Br)ccc2nc1SCC(=O)N1CCOCC1 ZINC000024773898 557166292 /nfs/dbraw/zinc/16/62/92/557166292.db2.gz MAIMETUYURUQQT-UHFFFAOYSA-N 0 0 426.336 2.520 50 0 IFAARN COC(=O)C[C@@H](NC(=O)c1cnn(-c2ccc(OC)nn2)c1C(F)(F)F)c1ccccc1 ZINC000024775348 557166586 /nfs/dbraw/zinc/16/65/86/557166586.db2.gz RFLOISWPHBSFBC-CQSZACIVSA-N 0 0 449.389 2.724 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCc1ccc(N2CCCC2=O)cc1 ZINC000024776910 557167086 /nfs/dbraw/zinc/16/70/86/557167086.db2.gz KUYMIRYSSIMKAR-UHFFFAOYSA-N 0 0 447.582 2.518 50 0 IFAARN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024780043 557167331 /nfs/dbraw/zinc/16/73/31/557167331.db2.gz OKMBDJGUAAAKIN-UHFFFAOYSA-N 0 0 445.552 2.980 50 0 IFAARN NS(=O)(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000000754373 557168608 /nfs/dbraw/zinc/16/86/08/557168608.db2.gz UGRNAMCLIKFIJF-LIKPIUCQSA-N 0 0 430.485 2.731 50 0 IFAARN Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000024817811 557168790 /nfs/dbraw/zinc/16/87/90/557168790.db2.gz CBELBGUHWSMUJJ-UHFFFAOYSA-N 0 0 429.361 2.966 50 0 IFAARN O=C(COc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000014738171 557169211 /nfs/dbraw/zinc/16/92/11/557169211.db2.gz JXFUDCVBBOZJSY-UHFFFAOYSA-N 0 0 429.325 2.905 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000024831037 557170407 /nfs/dbraw/zinc/17/04/07/557170407.db2.gz TZHRVJYZHWAGSO-UHFFFAOYSA-N 0 0 430.461 2.821 50 0 IFAARN CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000024839501 557172926 /nfs/dbraw/zinc/17/29/26/557172926.db2.gz CDBPEAQBEBTEPO-UHFFFAOYSA-N 0 0 442.493 2.802 50 0 IFAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COc1ccc(F)cc1Br ZINC000024841921 557173535 /nfs/dbraw/zinc/17/35/35/557173535.db2.gz ODRLRLDOPHTPNM-JTQLQIEISA-N 0 0 443.294 2.592 50 0 IFAARN COC(=O)c1occc1COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000024888300 557181528 /nfs/dbraw/zinc/18/15/28/557181528.db2.gz DCGBEBMOOVHJJS-HNNXBMFYSA-N 0 0 429.878 2.766 50 0 IFAARN CCOc1ccc(-c2nnc3n(Cc4ccccc4C)c4c(n23)n(C)c(=O)n(C)c4=O)cc1 ZINC000010970071 557181732 /nfs/dbraw/zinc/18/17/32/557181732.db2.gz VUZUGJZPFKGKAK-UHFFFAOYSA-N 0 0 444.495 2.504 50 0 IFAARN CCC(=O)Nc1ccc(N2CCN(C(=O)NC(C)C)CC2)c(C(=O)N2CCCCC2)c1 ZINC000096210882 557183196 /nfs/dbraw/zinc/18/31/96/557183196.db2.gz YCAMWJXNMLZSML-UHFFFAOYSA-N 0 0 429.565 2.901 50 0 IFAARN COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 ZINC000024974616 557184680 /nfs/dbraw/zinc/18/46/80/557184680.db2.gz MNUAOVFMXDIKBH-KBXCAEBGSA-N 0 0 437.448 2.898 50 0 IFAARN O=C(CN1CCN(CCO)CC1)N[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000096235386 557185380 /nfs/dbraw/zinc/18/53/80/557185380.db2.gz NNBUVIDQCALOBO-IBGZPJMESA-N 0 0 431.989 2.815 50 0 IFAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C(C)C)s1 ZINC000009264005 557185516 /nfs/dbraw/zinc/18/55/16/557185516.db2.gz DBUPRYANRJHVSF-UHFFFAOYSA-N 0 0 449.537 2.819 50 0 IFAARN C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000024984761 557185829 /nfs/dbraw/zinc/18/58/29/557185829.db2.gz UHVMLKFNIWZAAX-KXBFYZLASA-N 0 0 430.530 2.777 50 0 IFAARN CCn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)Nc1nncs1 ZINC000009303540 557186070 /nfs/dbraw/zinc/18/60/70/557186070.db2.gz UUVUAOOGYXTYQA-UHFFFAOYSA-N 0 0 437.938 2.715 50 0 IFAARN CCOC(=O)c1ccc(OC[C@@H](O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000024989117 557187081 /nfs/dbraw/zinc/18/70/81/557187081.db2.gz FCCPIVRWJFRDOU-KRWDZBQOSA-N 0 0 427.478 2.965 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2cc(C)ccc2O)n1C ZINC000009426858 557188872 /nfs/dbraw/zinc/18/88/72/557188872.db2.gz DLYNXPYGZWIJKI-UHFFFAOYSA-N 0 0 441.513 2.750 50 0 IFAARN CCOC(=O)c1s/c(=N\C(=O)c2ccccc2I)n(C)c1C ZINC000100837639 557190995 /nfs/dbraw/zinc/19/09/95/557190995.db2.gz JSDOPJLBZPLDQJ-ICFOKQHNSA-N 0 0 430.267 2.917 50 0 IFAARN CCOc1ccc([C@@H](CNC(=O)NCc2ccc(OC)cc2)N2CCOCC2)cc1OC ZINC000025062916 557193660 /nfs/dbraw/zinc/19/36/60/557193660.db2.gz NFXVGPDTFBTUBN-OAQYLSRUSA-N 0 0 443.544 2.975 50 0 IFAARN CCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000025122664 557195927 /nfs/dbraw/zinc/19/59/27/557195927.db2.gz CJFTVYWLTAPUKZ-UHFFFAOYSA-N 0 0 433.505 2.615 50 0 IFAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(Cl)cc1 ZINC000100873580 557196475 /nfs/dbraw/zinc/19/64/75/557196475.db2.gz NESFRRGRDSOUAM-UZYVYHOESA-N 0 0 439.946 2.781 50 0 IFAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)c12 ZINC000025154222 557197236 /nfs/dbraw/zinc/19/72/36/557197236.db2.gz PVBSLDOOYYFPIU-UHFFFAOYSA-N 0 0 440.525 2.971 50 0 IFAARN CCOC(=O)c1ccc2c(c1)sc(=NC(=O)c1ccc(C(C)=O)cc1)n2CC(=O)OC ZINC000100876151 557197637 /nfs/dbraw/zinc/19/76/37/557197637.db2.gz GCTGSZSJGQBBIG-FCQUAONHSA-N 0 0 440.477 2.996 50 0 IFAARN CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(OC)cc1)n2CC(=O)OC ZINC000100876142 557197725 /nfs/dbraw/zinc/19/77/25/557197725.db2.gz BKJQYFARKGQFIU-DQRAZIAOSA-N 0 0 428.466 2.802 50 0 IFAARN COC(=O)C1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CCCCC1 ZINC000025177028 557198586 /nfs/dbraw/zinc/19/85/86/557198586.db2.gz VRVYAMQNDZYLHS-OAHLLOKOSA-N 0 0 442.965 2.733 50 0 IFAARN CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000025193471 557199780 /nfs/dbraw/zinc/19/97/80/557199780.db2.gz ULRNFWBKJRTWQQ-UHFFFAOYSA-N 0 0 437.521 2.558 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000011564294 557201204 /nfs/dbraw/zinc/20/12/04/557201204.db2.gz PTYAVPLZVDNZMA-UHFFFAOYSA-N 0 0 438.553 2.898 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000025284494 557202508 /nfs/dbraw/zinc/20/25/08/557202508.db2.gz YKRZRAIYORFYJQ-NRFANRHFSA-N 0 0 439.537 2.749 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2cnccn2)CC1)OCc1ccccc1 ZINC000025344102 557205368 /nfs/dbraw/zinc/20/53/68/557205368.db2.gz WNPPALQIKNRNKC-QFIPXVFZSA-N 0 0 445.523 2.663 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000011594336 557206879 /nfs/dbraw/zinc/20/68/79/557206879.db2.gz YUKIORGVRUTFCL-UHFFFAOYSA-N 0 0 442.843 2.512 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1sccc1-n1cccc1 ZINC000025437274 557209671 /nfs/dbraw/zinc/20/96/71/557209671.db2.gz GTAPMWRVICLZHQ-UHFFFAOYSA-N 0 0 437.568 2.551 50 0 IFAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCN1C(=O)COc2ccccc21)CC3 ZINC000025453365 557210409 /nfs/dbraw/zinc/21/04/09/557210409.db2.gz QOJCXMWNLPLQDP-UHFFFAOYSA-N 0 0 433.464 2.655 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 ZINC000025456579 557210793 /nfs/dbraw/zinc/21/07/93/557210793.db2.gz MOQQUOLWRHYHQC-XXBNENTESA-N 0 0 425.460 2.965 50 0 IFAARN Cc1nc(-c2c(=O)n(CC(=O)Nc3cccc(C(C)C)c3)c(=O)n3c2CCCCC3)no1 ZINC000169764037 557211754 /nfs/dbraw/zinc/21/17/54/557211754.db2.gz USXMWABYDPSDGN-UHFFFAOYSA-N 0 0 437.500 2.857 50 0 IFAARN Cc1nc(-c2c(=O)n(CC(=O)Nc3ccc(Cl)cc3F)c(=O)n3c2CCCCC3)no1 ZINC000169769980 557211816 /nfs/dbraw/zinc/21/18/16/557211816.db2.gz PJHQLZDOPCPOQN-UHFFFAOYSA-N 0 0 447.854 2.526 50 0 IFAARN O=S(=O)(c1cccs1)N1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000025480643 557212162 /nfs/dbraw/zinc/21/21/62/557212162.db2.gz ZGRQDZYMXGUTTC-QUCCMNQESA-N 0 0 436.599 2.510 50 0 IFAARN C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NCCc1cn2ccccc2n1 ZINC000025526262 557213032 /nfs/dbraw/zinc/21/30/32/557213032.db2.gz LOKISYOJZWJAIE-LBPRGKRZSA-N 0 0 441.340 2.667 50 0 IFAARN COCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)[C@H]1COc2ccccc2O1 ZINC000101035751 557214406 /nfs/dbraw/zinc/21/44/06/557214406.db2.gz IJIGYCOVCDTFED-UGNPLGLKSA-N 0 0 430.482 2.634 50 0 IFAARN Cc1cccc(C)c1N1C(=O)C[C@H](N(O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)C1=O ZINC000101030653 557214778 /nfs/dbraw/zinc/21/47/78/557214778.db2.gz ITTDHQNVGAWNQU-ROUUACIJSA-N 0 0 435.480 2.575 50 0 IFAARN COc1ccc(OC)c2c1s/c(=N/C(=O)CCS(=O)(=O)c1ccc(C)cc1)n2C ZINC000101036937 557214882 /nfs/dbraw/zinc/21/48/82/557214882.db2.gz QKNOKMVNZGJLQV-QZQOTICOSA-N 0 0 434.539 2.857 50 0 IFAARN CCOC(=O)Cn1c2ccc(CC)cc2s/c1=N\C(=O)c1ccccc1S(C)(=O)=O ZINC000101041753 557215070 /nfs/dbraw/zinc/21/50/70/557215070.db2.gz HUJLVAFZRQYHSN-DQRAZIAOSA-N 0 0 446.550 2.973 50 0 IFAARN O=C(N[C@@H](C(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccc1)c1cccs1 ZINC000025581259 557216406 /nfs/dbraw/zinc/21/64/06/557216406.db2.gz XCNMDQVKZKMIBI-OAQYLSRUSA-N 0 0 436.537 2.767 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000000800579 557217322 /nfs/dbraw/zinc/21/73/22/557217322.db2.gz SUCVJZXXTIMWSK-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1C ZINC000025606316 557218728 /nfs/dbraw/zinc/21/87/28/557218728.db2.gz SUQIFCLOTQKNBJ-UHFFFAOYSA-N 0 0 432.527 2.681 50 0 IFAARN CC(C)CN(C(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2)[C@H]1CCS(=O)(=O)C1 ZINC000005773438 557222877 /nfs/dbraw/zinc/22/28/77/557222877.db2.gz PDVSJFLFONBEFJ-ZBFHGGJFSA-N 0 0 427.588 2.701 50 0 IFAARN COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCS(=O)(=O)C1)oc1ccccc12 ZINC000010994566 557223024 /nfs/dbraw/zinc/22/30/24/557223024.db2.gz BJLYEQTZCPIQEJ-CHWSQXEVSA-N 0 0 431.466 2.900 50 0 IFAARN COCCN(CCOC)c1nc(CN2CCOCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC000025748306 557224112 /nfs/dbraw/zinc/22/41/12/557224112.db2.gz YGCGMRRMUYMMAG-INIZCTEOSA-N 0 0 434.606 2.748 50 0 IFAARN O=C(CSc1nnc(-c2cccs2)o1)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000025777038 557225569 /nfs/dbraw/zinc/22/55/69/557225569.db2.gz AVMMEXNHMBAVLD-MRXNPFEDSA-N 0 0 430.555 2.907 50 0 IFAARN COCc1ccccc1CNC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC000025795904 557226807 /nfs/dbraw/zinc/22/68/07/557226807.db2.gz SBYRTEAXINBAAU-UHFFFAOYSA-N 0 0 438.528 2.941 50 0 IFAARN CSc1nccc(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)CCC(=O)N(C)C)C3)n1 ZINC000014961926 557227672 /nfs/dbraw/zinc/22/76/72/557227672.db2.gz ASYCXKKYZXHGNJ-AWEZNQCLSA-N 0 0 434.949 2.807 50 0 IFAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000025829558 557228053 /nfs/dbraw/zinc/22/80/53/557228053.db2.gz ULYDESHBMYSVBA-OAHLLOKOSA-N 0 0 439.829 2.752 50 0 IFAARN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000025892716 557229431 /nfs/dbraw/zinc/22/94/31/557229431.db2.gz WKZZPXYSHBLWME-UHFFFAOYSA-N 0 0 429.502 2.714 50 0 IFAARN Cc1cc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2n1 ZINC000011666337 557231523 /nfs/dbraw/zinc/23/15/23/557231523.db2.gz BDPBUDAOHNEPBE-UHFFFAOYSA-N 0 0 432.527 2.581 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cnc3ccccc3c2C(F)(F)F)NC(=O)N[C@@H]1C ZINC000025986726 557231586 /nfs/dbraw/zinc/23/15/86/557231586.db2.gz DFYLGLKXZAIAMB-SNVBAGLBSA-N 0 0 437.374 2.929 50 0 IFAARN COc1cc(OC)c(C2=CCN(C(=O)c3nn(C)c(=O)c4ccccc43)CC2)c(OC)c1 ZINC000026001490 557231973 /nfs/dbraw/zinc/23/19/73/557231973.db2.gz HCEISNWQRXGYJF-UHFFFAOYSA-N 0 0 435.480 2.889 50 0 IFAARN CCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000026011489 557232141 /nfs/dbraw/zinc/23/21/41/557232141.db2.gz SDUGITMYIUHACM-LLVKDONJSA-N 0 0 427.885 2.534 50 0 IFAARN CCNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000026011496 557232197 /nfs/dbraw/zinc/23/21/97/557232197.db2.gz SDUGITMYIUHACM-NSHDSACASA-N 0 0 427.885 2.534 50 0 IFAARN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NC[C@H](CC(C)C)N1CCOCC1 ZINC000026062103 557233298 /nfs/dbraw/zinc/23/32/98/557233298.db2.gz LHUFJDIHYNXEIZ-SFHVURJKSA-N 0 0 439.622 2.549 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(-n2ccnc2)cc1 ZINC000018047757 557233563 /nfs/dbraw/zinc/23/35/63/557233563.db2.gz JTUQMRDRBAHHMX-FUHWJXTLSA-N 0 0 432.480 2.874 50 0 IFAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000018047298 557233678 /nfs/dbraw/zinc/23/36/78/557233678.db2.gz XGUORRHBOCQQIB-ICSRJNTNSA-N 0 0 429.517 2.818 50 0 IFAARN CC(C)C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1C(=O)c2ccccc2C1=O ZINC000018049649 557233722 /nfs/dbraw/zinc/23/37/22/557233722.db2.gz UVCWNYHOJLLLAX-MRXNPFEDSA-N 0 0 447.413 2.870 50 0 IFAARN CCN(CC)C(=O)CSc1nnc(SCc2cn3cc(Cl)ccc3n2)n1N ZINC000026095871 557234285 /nfs/dbraw/zinc/23/42/85/557234285.db2.gz OJVRLHJKHZRRIC-UHFFFAOYSA-N 0 0 425.971 2.546 50 0 IFAARN CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCc4ccccc4C3)c(C)c2c1=O ZINC000002477398 557234353 /nfs/dbraw/zinc/23/43/53/557234353.db2.gz KJPVYMJJFSUODD-UHFFFAOYSA-N 0 0 438.553 2.833 50 0 IFAARN COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccc(OC)c(OC)c4)CC3)n[nH]2)cc1 ZINC000098212513 557235680 /nfs/dbraw/zinc/23/56/80/557235680.db2.gz KDKPZBMDQQANCG-UHFFFAOYSA-N 0 0 436.512 2.994 50 0 IFAARN O=C(Cc1csc(N2CCCC2=O)n1)Nc1cc2c(cc1Br)OCCO2 ZINC000018085650 557235931 /nfs/dbraw/zinc/23/59/31/557235931.db2.gz XMEYTGHWUIMHCE-UHFFFAOYSA-N 0 0 438.303 2.985 50 0 IFAARN O=C(CSCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)N1CCCCC1 ZINC000026134182 557236103 /nfs/dbraw/zinc/23/61/03/557236103.db2.gz FOVILTWZOGATSF-UHFFFAOYSA-N 0 0 446.569 2.625 50 0 IFAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 ZINC000026130885 557236179 /nfs/dbraw/zinc/23/61/79/557236179.db2.gz GSSQFZARRMCJIU-UHFFFAOYSA-N 0 0 431.533 2.533 50 0 IFAARN COCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000032950464 557236760 /nfs/dbraw/zinc/23/67/60/557236760.db2.gz QOTVXOKNTHEXCB-UHFFFAOYSA-N 0 0 446.529 2.621 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000026162046 557236775 /nfs/dbraw/zinc/23/67/75/557236775.db2.gz AGKHMJSRVDKRHV-CABCVRRESA-N 0 0 428.510 2.532 50 0 IFAARN Cc1ccc(N2C(=O)C[C@@H](N(O)[C@H]3CC(=O)N(c4ccc(C)cc4C)C3=O)C2=O)c(C)c1 ZINC000101089325 557237197 /nfs/dbraw/zinc/23/71/97/557237197.db2.gz OKOPGRVLYHLRNB-BGYRXZFFSA-N 0 0 435.480 2.575 50 0 IFAARN O=C1c2ccccc2C(=O)N1CCCSc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000026211212 557237340 /nfs/dbraw/zinc/23/73/40/557237340.db2.gz QIUWCNZMLCFCBK-UHFFFAOYSA-N 0 0 431.539 2.645 50 0 IFAARN COc1cc2ccccc2cc1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000011002656 557237924 /nfs/dbraw/zinc/23/79/24/557237924.db2.gz RLXPRDBZRRYEDL-UHFFFAOYSA-N 0 0 431.558 2.727 50 0 IFAARN O=C(c1cncc(Br)c1)N1CCC(n2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000390827389 557238045 /nfs/dbraw/zinc/23/80/45/557238045.db2.gz GTRCGFLGEJADNV-UHFFFAOYSA-N 0 0 435.303 2.798 50 0 IFAARN O=C(Nc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1)[C@@H]1CCCO1 ZINC000026279097 557238411 /nfs/dbraw/zinc/23/84/11/557238411.db2.gz IINRXKNIXMTECF-QHCPKHFHSA-N 0 0 435.524 2.697 50 0 IFAARN O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000026308612 557239076 /nfs/dbraw/zinc/23/90/76/557239076.db2.gz ORBGPBULIQTAMI-SFHVURJKSA-N 0 0 445.449 2.610 50 0 IFAARN Cc1ccc(SCCNC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000026397656 557240410 /nfs/dbraw/zinc/24/04/10/557240410.db2.gz PJUUEBAJQWLEAP-HXUWFJFHSA-N 0 0 436.537 2.848 50 0 IFAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000026409227 557240771 /nfs/dbraw/zinc/24/07/71/557240771.db2.gz ULEWKZOTSLCJFO-OXQOHEQNSA-N 0 0 448.541 2.810 50 0 IFAARN CCOc1ccc(-n2ncc(C(=O)O[C@@H](C)C(=O)N3CCCc4ccccc43)c2C)nn1 ZINC000026428125 557240929 /nfs/dbraw/zinc/24/09/29/557240929.db2.gz LESKDEJNCPKKTQ-INIZCTEOSA-N 0 0 435.484 2.894 50 0 IFAARN CC(C)c1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1 ZINC000100115516 557240951 /nfs/dbraw/zinc/24/09/51/557240951.db2.gz HBFYQGVZVRTRBP-NRFANRHFSA-N 0 0 435.524 2.988 50 0 IFAARN COc1ccc([C@@H]2Cn3nnc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3CO2)cc1 ZINC000583648198 557241464 /nfs/dbraw/zinc/24/14/64/557241464.db2.gz DNYDWSZVPMAVHV-FQEVSTJZSA-N 0 0 429.521 2.611 50 0 IFAARN COc1ccc([C@H]2Cn3nnc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3CO2)cc1 ZINC000583648200 557241538 /nfs/dbraw/zinc/24/15/38/557241538.db2.gz DNYDWSZVPMAVHV-HXUWFJFHSA-N 0 0 429.521 2.611 50 0 IFAARN Cc1c(C(=O)NCc2nnc3ccccn32)sc2[nH]c(Cc3ccccc3)nc(=O)c12 ZINC000018124323 557241648 /nfs/dbraw/zinc/24/16/48/557241648.db2.gz HESDOMPUXRBKMX-UHFFFAOYSA-N 0 0 430.493 2.857 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)c(OC)c1 ZINC000583649049 557241929 /nfs/dbraw/zinc/24/19/29/557241929.db2.gz QSOPJOHKYCWLOO-DEOSSOPVSA-N 0 0 437.496 2.739 50 0 IFAARN CCCCOc1ccccc1/C=c1/sc2nc(=O)c(Cc3ccc(F)cc3)nn2c1=O ZINC000026533948 557243519 /nfs/dbraw/zinc/24/35/19/557243519.db2.gz AOJCPJIMKDCIHR-XSFVSMFZSA-N 0 0 437.496 2.968 50 0 IFAARN CCCCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1 ZINC000026534062 557243838 /nfs/dbraw/zinc/24/38/38/557243838.db2.gz UXZHXRGMXBRMLC-XSFVSMFZSA-N 0 0 437.496 2.968 50 0 IFAARN COc1cc(CNC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)ccc1OCc1ccccc1 ZINC000018160816 557244135 /nfs/dbraw/zinc/24/41/35/557244135.db2.gz YLAUDMHCLYLUEP-BGYRXZFFSA-N 0 0 434.492 2.842 50 0 IFAARN Cc1cc(N2CCN(C(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)nc(C(C)C)n1 ZINC000026556885 557244881 /nfs/dbraw/zinc/24/48/81/557244881.db2.gz SIVSMXKZNXVXJO-HXUWFJFHSA-N 0 0 437.544 2.988 50 0 IFAARN O=C(Nc1ccc2ccccc2n1)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000069968668 557244922 /nfs/dbraw/zinc/24/49/22/557244922.db2.gz RSDJKQUAXFPDRV-GOSISDBHSA-N 0 0 439.493 2.798 50 0 IFAARN CCCn1c2ccc(Cl)cc2n(CN2CCN(S(=O)(=O)N(C)C)CC2)c1=S ZINC000026649146 557246236 /nfs/dbraw/zinc/24/62/36/557246236.db2.gz HZBAWBZNYIXJDB-UHFFFAOYSA-N 0 0 432.015 2.617 50 0 IFAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3cn[nH]c3)[C@@H]21 ZINC000604404911 557248170 /nfs/dbraw/zinc/24/81/70/557248170.db2.gz LQFVUORWJSDZOE-OAQYLSRUSA-N 0 0 447.451 2.571 50 0 IFAARN C[C@@H](OC(=O)CCN1C(=O)COc2ccccc21)C(=O)NCCc1c[nH]c2ccccc12 ZINC000026858572 557249774 /nfs/dbraw/zinc/24/97/74/557249774.db2.gz HXXBHOIBWDASBD-MRXNPFEDSA-N 0 0 435.480 2.574 50 0 IFAARN O=C(Cc1csc(-c2ccsc2)n1)N1CCN(CCNC(=O)c2ccco2)CC1 ZINC000026864481 557249796 /nfs/dbraw/zinc/24/97/96/557249796.db2.gz XHGGIGWTBGIDJD-UHFFFAOYSA-N 0 0 430.555 2.581 50 0 IFAARN O=C(OCc1sc2ccccc2c1Cl)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000026887611 557250179 /nfs/dbraw/zinc/25/01/79/557250179.db2.gz POARUADTDMCHOK-NSHDSACASA-N 0 0 440.930 2.763 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000026935091 557251627 /nfs/dbraw/zinc/25/16/27/557251627.db2.gz FMCFXKKVYFCUHO-SFHVURJKSA-N 0 0 431.533 2.707 50 0 IFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCc1nc(-c2cccs2)no1 ZINC000604419718 557251998 /nfs/dbraw/zinc/25/19/98/557251998.db2.gz WTUNEIHNMYCHPI-SDYXESRWSA-N 0 0 438.509 2.957 50 0 IFAARN CCC(C)(C)C1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC000018213388 557252631 /nfs/dbraw/zinc/25/26/31/557252631.db2.gz HVUZGJBJVWQLLX-UHFFFAOYSA-N 0 0 437.606 2.895 50 0 IFAARN COC(=O)c1cn(-c2ccc3c(c2)OCCO3)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2 ZINC000100253223 557256021 /nfs/dbraw/zinc/25/60/21/557256021.db2.gz WDLHNAJMZZHRLV-UHFFFAOYSA-N 0 0 433.420 2.694 50 0 IFAARN CC(C)(C)OC(=O)N1CCC(C(=O)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)CC1 ZINC000390830202 557256685 /nfs/dbraw/zinc/25/66/85/557256685.db2.gz JLWFWGXUNSKXGU-CYBMUJFWSA-N 0 0 431.459 2.666 50 0 IFAARN Cc1nc(C)n([C@@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000027194437 557258476 /nfs/dbraw/zinc/25/84/76/557258476.db2.gz BCDMEMDALKVFIB-INIZCTEOSA-N 0 0 441.557 2.532 50 0 IFAARN O=C(c1cccc(Br)c1)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1 ZINC000390831507 557258537 /nfs/dbraw/zinc/25/85/37/557258537.db2.gz SEXPFXXROZMXRJ-UHFFFAOYSA-N 0 0 429.274 2.737 50 0 IFAARN COc1ccc(O[C@@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)cc1 ZINC000027295305 557259830 /nfs/dbraw/zinc/25/98/30/557259830.db2.gz NXJXIXCAELTSQG-LPHOPBHVSA-N 0 0 437.496 2.907 50 0 IFAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000027391827 557261473 /nfs/dbraw/zinc/26/14/73/557261473.db2.gz ZWCZQZPHBSOSRW-AWEZNQCLSA-N 0 0 437.949 2.717 50 0 IFAARN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1cccc(F)c1F ZINC000027437497 557262194 /nfs/dbraw/zinc/26/21/94/557262194.db2.gz OHLWEUDWMSVPMO-QFIPXVFZSA-N 0 0 430.407 2.634 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000027466043 557262385 /nfs/dbraw/zinc/26/23/85/557262385.db2.gz XFABIDWKHYGSQF-HXUWFJFHSA-N 0 0 438.509 2.951 50 0 IFAARN COc1ccc(CCNC(=O)[C@H](C(=O)c2ccc(F)cc2)n2ccccc2=O)cc1OC ZINC000000819430 557262786 /nfs/dbraw/zinc/26/27/86/557262786.db2.gz IAKAIDPXTLOPJL-QFIPXVFZSA-N 0 0 438.455 2.788 50 0 IFAARN COc1ccc(C(=O)NCCCn2nc(C)cc2C)cc1S(=O)(=O)NC1CCCC1 ZINC000027507639 557263199 /nfs/dbraw/zinc/26/31/99/557263199.db2.gz GBTQDNPUDNYSAC-UHFFFAOYSA-N 0 0 434.562 2.550 50 0 IFAARN Cc1cccc(C)c1NC(=O)CSc1nc(Cc2ccc(Cl)cc2)n(N)c(=O)n1 ZINC000027643471 557268111 /nfs/dbraw/zinc/26/81/11/557268111.db2.gz AXARIECZVSFLIS-UHFFFAOYSA-N 0 0 429.933 2.944 50 0 IFAARN CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)cc1 ZINC000027663116 557269502 /nfs/dbraw/zinc/26/95/02/557269502.db2.gz HXLAWEZUFXMZIE-AWEZNQCLSA-N 0 0 448.566 2.805 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000000824393 557269991 /nfs/dbraw/zinc/26/99/91/557269991.db2.gz SLKYOQJHOHEYJJ-UHFFFAOYSA-N 0 0 428.894 2.771 50 0 IFAARN CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc(OC)c(Cl)c2)n1 ZINC000027743798 557272239 /nfs/dbraw/zinc/27/22/39/557272239.db2.gz TYRQTNJDEINZAU-UHFFFAOYSA-N 0 0 434.699 2.947 50 0 IFAARN CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2cc(Cl)ccc2OC)n1 ZINC000027748616 557273096 /nfs/dbraw/zinc/27/30/96/557273096.db2.gz PSZOHRLPRGLVEM-UHFFFAOYSA-N 0 0 434.699 2.947 50 0 IFAARN O=C(NCCCn1ccnc1)c1nnsc1NC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000101377058 557281410 /nfs/dbraw/zinc/28/14/10/557281410.db2.gz YOIIROVFZBWRJQ-MRXNPFEDSA-N 0 0 440.533 2.709 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)CN1CCN(Cc3cccc(Cl)c3)CC1)CCC2 ZINC000084367729 557292942 /nfs/dbraw/zinc/29/29/42/557292942.db2.gz KIJHWKWHJCZNNM-UHFFFAOYSA-N 0 0 432.977 2.745 50 0 IFAARN CCC(CC)C(=O)NCCn1ncc2c1ncnc2N1CCN(c2ccc(F)cc2)CC1 ZINC000011665905 557294137 /nfs/dbraw/zinc/29/41/37/557294137.db2.gz IRYDFQGFWNMAOK-UHFFFAOYSA-N 0 0 439.539 2.844 50 0 IFAARN CCOc1ccc(NC(=O)c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2N)cc1 ZINC000071772237 557294574 /nfs/dbraw/zinc/29/45/74/557294574.db2.gz WKHCNAFCXVXVEQ-UHFFFAOYSA-N 0 0 442.520 2.767 50 0 IFAARN C[C@@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C1 ZINC000014070746 557297658 /nfs/dbraw/zinc/29/76/58/557297658.db2.gz GLJXLQLEJALZBK-GASCZTMLSA-N 0 0 429.952 2.613 50 0 IFAARN C[C@@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 ZINC000014070525 557297730 /nfs/dbraw/zinc/29/77/30/557297730.db2.gz LRLXPRDKLZVGOU-OKILXGFUSA-N 0 0 447.942 2.752 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O ZINC000011666383 557297938 /nfs/dbraw/zinc/29/79/38/557297938.db2.gz ZNHDCSLCLILCMF-UHFFFAOYSA-N 0 0 427.823 2.998 50 0 IFAARN O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)Nc1ccc2c(c1)OCO2 ZINC000014095631 557302814 /nfs/dbraw/zinc/30/28/14/557302814.db2.gz QESHCYUQZWJJGM-UHFFFAOYSA-N 0 0 432.436 2.702 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccc2c(c1)OCO2 ZINC000014095893 557302821 /nfs/dbraw/zinc/30/28/21/557302821.db2.gz IGNXETBTWOBDAJ-MYYSRTQBSA-N 0 0 435.480 2.766 50 0 IFAARN C[C@@H](NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 ZINC000014161170 557311760 /nfs/dbraw/zinc/31/17/60/557311760.db2.gz GCNOHPDPBZYRGZ-RDTXWAMCSA-N 0 0 444.582 2.958 50 0 IFAARN O=C(COC(=O)c1ccc(C2SCCS2)cc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000014167749 557312964 /nfs/dbraw/zinc/31/29/64/557312964.db2.gz OJWYHXFHYQKYFG-INIZCTEOSA-N 0 0 441.596 2.500 50 0 IFAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102129120 557313114 /nfs/dbraw/zinc/31/31/14/557313114.db2.gz BXHUUGIKQBUDNP-KDURUIRLSA-N 0 0 426.513 2.698 50 0 IFAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)COC(=O)c1ccccc1-n1cnnn1 ZINC000014184841 557313989 /nfs/dbraw/zinc/31/39/89/557313989.db2.gz XQOMMTJXLGNOBC-UHFFFAOYSA-N 0 0 437.847 2.512 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)[C@H]1C ZINC000248169023 557315137 /nfs/dbraw/zinc/31/51/37/557315137.db2.gz ULILOMLGLZPIPS-FUHIMQAGSA-N 0 0 436.574 2.571 50 0 IFAARN COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NC1CCCCC1 ZINC000102289737 557317714 /nfs/dbraw/zinc/31/77/14/557317714.db2.gz HKHNXJVDGFOLSO-ROUUACIJSA-N 0 0 434.558 2.981 50 0 IFAARN O=C(CSc1nc2ncccc2c(=O)n1C[C@@H]1CCCO1)Nc1ccc(F)cc1F ZINC000032927123 557318511 /nfs/dbraw/zinc/31/85/11/557318511.db2.gz XIDFAGXCXGXHCY-ZDUSSCGKSA-N 0 0 432.452 2.980 50 0 IFAARN COc1ccc(C2=CCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)cc1 ZINC000032937083 557318843 /nfs/dbraw/zinc/31/88/43/557318843.db2.gz MBQPCRLJGZOGHG-UHFFFAOYSA-N 0 0 441.553 2.807 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)[C@H](c3ccco3)C2)cc1 ZINC000102381660 557319864 /nfs/dbraw/zinc/31/98/64/557319864.db2.gz SEMNONKIKNRDCV-NSHGMRRFSA-N 0 0 433.464 2.917 50 0 IFAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C(=O)NC1CCCC1 ZINC000102424105 557321594 /nfs/dbraw/zinc/32/15/94/557321594.db2.gz NDCFWRZCYCLZJX-BRWVUGGUSA-N 0 0 436.574 2.957 50 0 IFAARN Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1 ZINC000032991013 557321949 /nfs/dbraw/zinc/32/19/49/557321949.db2.gz STXPDPYAFAFEPZ-OPTNLHPUSA-N 0 0 445.566 2.602 50 0 IFAARN Cc1ccc(-n2nc(N3CCCN(C(=O)c4n[nH]c5c4CCCC5)CC3)ccc2=O)cc1C ZINC000085653902 557322558 /nfs/dbraw/zinc/32/25/58/557322558.db2.gz ODQYNJSHWRNLGC-UHFFFAOYSA-N 0 0 446.555 2.804 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3ccc(Sc4cccc(F)c4)nn3c2=O)cc1 ZINC000033261772 557329797 /nfs/dbraw/zinc/32/97/97/557329797.db2.gz SIKGIKKUJREMAL-UHFFFAOYSA-N 0 0 425.445 2.829 50 0 IFAARN COc1ccccc1N1CCN(C(=O)C2CCN(c3nccc4c(C)nn(C)c43)CC2)CC1 ZINC000033299136 557331096 /nfs/dbraw/zinc/33/10/96/557331096.db2.gz UDXSXOKMMFXESV-UHFFFAOYSA-N 0 0 448.571 2.851 50 0 IFAARN Cc1cccc(OCc2nc(Cn3cnc(S(=O)(=O)N4CCC(C)CC4)c3)no2)c1 ZINC000033281710 557331538 /nfs/dbraw/zinc/33/15/38/557331538.db2.gz QVTZKBAIDQXMHS-UHFFFAOYSA-N 0 0 431.518 2.622 50 0 IFAARN Cc1nc(CCNC(=O)[C@H]2CSCN2S(=O)(=O)c2ccc(C(C)C)cc2)cs1 ZINC000033282349 557331836 /nfs/dbraw/zinc/33/18/36/557331836.db2.gz BNXCBSQKJFKYPV-GOSISDBHSA-N 0 0 439.628 2.997 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)nc3c4c(C)c(C)sc4ncn32)cc1 ZINC000033289345 557332328 /nfs/dbraw/zinc/33/23/28/557332328.db2.gz ULYUQQCDOKLACQ-UHFFFAOYSA-N 0 0 425.470 2.538 50 0 IFAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCN1CCOCC1 ZINC000033332076 557333549 /nfs/dbraw/zinc/33/35/49/557333549.db2.gz USHISDXCXPSNDK-RUZDIDTESA-N 0 0 438.572 2.637 50 0 IFAARN Cc1nnc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)n1Cc1ccccc1 ZINC000014639884 557346729 /nfs/dbraw/zinc/34/67/29/557346729.db2.gz OUJQCBOCAPCPIG-UHFFFAOYSA-N 0 0 443.617 2.878 50 0 IFAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2c(C)noc2C)CC1 ZINC000023424531 557353055 /nfs/dbraw/zinc/35/30/55/557353055.db2.gz ZDGPCQZNZJTYOE-UHFFFAOYSA-N 0 0 437.500 2.991 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccc(Br)cc3)C(C(=O)[C@H]3CO3)=N2)cc1 ZINC000102674776 557363190 /nfs/dbraw/zinc/36/31/90/557363190.db2.gz ZIMLEDCHIJAGIL-DLBZAZTESA-N 0 0 449.326 2.870 50 0 IFAARN Cc1ncn(CC(=O)N2CCC[C@H](Cc3nc(-c4ccccc4F)no3)C2)c(=O)c1C ZINC000220696573 557364322 /nfs/dbraw/zinc/36/43/22/557364322.db2.gz SSFRERLMOHITHQ-MRXNPFEDSA-N 0 0 425.464 2.531 50 0 IFAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000102698189 557365118 /nfs/dbraw/zinc/36/51/18/557365118.db2.gz YAASJXNTQJOKMF-ROUUACIJSA-N 0 0 433.464 2.837 50 0 IFAARN Cn1ncc2c1ncnc2SCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000011685676 557366943 /nfs/dbraw/zinc/36/69/43/557366943.db2.gz UTTJIBHAXPHOPL-UHFFFAOYSA-N 0 0 425.514 2.812 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(Cc2cccs2)CC1 ZINC000023819450 557375970 /nfs/dbraw/zinc/37/59/70/557375970.db2.gz FCCJZQJGLUHTEU-UHFFFAOYSA-N 0 0 447.626 2.640 50 0 IFAARN C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000023870703 557377061 /nfs/dbraw/zinc/37/70/61/557377061.db2.gz LZSADGNBYPURRS-SECBINFHSA-N 0 0 438.797 2.727 50 0 IFAARN CSCC[C@H](C(=O)NCCCc1nc2ccccc2[nH]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102786023 557388195 /nfs/dbraw/zinc/38/81/95/557388195.db2.gz ICJHWPJNBNCYFW-JTDSTZFVSA-N 0 0 442.585 2.909 50 0 IFAARN CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000011694384 557392169 /nfs/dbraw/zinc/39/21/69/557392169.db2.gz MLOWJYLKRWKIFQ-UHFFFAOYSA-N 0 0 426.448 2.991 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1 ZINC000011694554 557392571 /nfs/dbraw/zinc/39/25/71/557392571.db2.gz CGZUVFUEYBIUQZ-UHFFFAOYSA-N 0 0 427.461 2.596 50 0 IFAARN COC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000011696200 557394390 /nfs/dbraw/zinc/39/43/90/557394390.db2.gz USVRSDFONNVJCS-JSGCOSHPSA-N 0 0 448.570 2.593 50 0 IFAARN C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)Nc1cnn(C)c1 ZINC000072403221 557395672 /nfs/dbraw/zinc/39/56/72/557395672.db2.gz YFHATYJNGGKDJI-LBPRGKRZSA-N 0 0 425.320 2.586 50 0 IFAARN C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NC[C@H]1CCCO1 ZINC000072402948 557395684 /nfs/dbraw/zinc/39/56/84/557395684.db2.gz UMNGYEDDZXPBOI-DZGCQCFKSA-N 0 0 429.348 2.509 50 0 IFAARN Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(F)cc1F ZINC000013955876 557397720 /nfs/dbraw/zinc/39/77/20/557397720.db2.gz VCARHHQRBSNRGG-UHFFFAOYSA-N 0 0 435.431 2.893 50 0 IFAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3F)n2C)c1 ZINC000013956069 557397863 /nfs/dbraw/zinc/39/78/63/557397863.db2.gz FHEZNUPCSPPUHR-UHFFFAOYSA-N 0 0 429.477 2.624 50 0 IFAARN NS(=O)(=O)c1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 ZINC000102988269 557414349 /nfs/dbraw/zinc/41/43/49/557414349.db2.gz FKXSBSWWDCDFLB-CQSZACIVSA-N 0 0 447.822 2.750 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCC(C)CC4)C3)cc2C[C@H]1C ZINC000103712575 557440623 /nfs/dbraw/zinc/44/06/23/557440623.db2.gz KLFUZVYRCOFPAB-MJGOQNOKSA-N 0 0 447.601 2.643 50 0 IFAARN CSCC[C@@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 ZINC000223234975 557449253 /nfs/dbraw/zinc/44/92/53/557449253.db2.gz UKEIZLMIEZVFGN-QGZVFWFLSA-N 0 0 437.525 2.945 50 0 IFAARN Cc1ccc2c(c1)c(=O)n(-c1ccccc1Cl)c(=O)n2CC(=O)NCc1ccccn1 ZINC000096318278 557451844 /nfs/dbraw/zinc/45/18/44/557451844.db2.gz KWZFBQYELBJRLI-UHFFFAOYSA-N 0 0 434.883 2.826 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000014797189 557452706 /nfs/dbraw/zinc/45/27/06/557452706.db2.gz CRXFKAUJYDBIPX-QPJJXVBHSA-N 0 0 436.917 2.521 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(F)cc4F)ncn3n2)cc1 ZINC000051316952 557466042 /nfs/dbraw/zinc/46/60/42/557466042.db2.gz HHMZUJBXPCPSDV-UHFFFAOYSA-N 0 0 439.422 2.551 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000104938637 557466065 /nfs/dbraw/zinc/46/60/65/557466065.db2.gz YDBZETRABPAECM-GHTZIAJQSA-N 0 0 443.544 2.783 50 0 IFAARN COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1OC ZINC000051316975 557466163 /nfs/dbraw/zinc/46/61/63/557466163.db2.gz NDWAKLHYSOGVNF-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccc(Cl)c4)ncn3n2)cc1 ZINC000051316956 557466171 /nfs/dbraw/zinc/46/61/71/557466171.db2.gz AMTJVDWCJHJIKA-UHFFFAOYSA-N 0 0 437.887 2.927 50 0 IFAARN COC(=O)C1C(CN2CCN(c3ccc(F)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318394 557469830 /nfs/dbraw/zinc/46/98/30/557469830.db2.gz YIDCPKPRIKJPKS-JOCHJYFZSA-N 0 0 438.503 2.737 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000026842373 557510683 /nfs/dbraw/zinc/51/06/83/557510683.db2.gz ATQWRKBQTIPVJZ-UHFFFAOYSA-N 0 0 431.920 2.876 50 0 IFAARN COc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C(=O)NCC(C)C)c(OC)c1 ZINC000105836601 557511687 /nfs/dbraw/zinc/51/16/87/557511687.db2.gz LJQPQXVJRNWJDJ-SFTDATJTSA-N 0 0 446.569 2.880 50 0 IFAARN O=C(NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000046781912 557512825 /nfs/dbraw/zinc/51/28/25/557512825.db2.gz XKZFDWKDGXVGDA-IBGZPJMESA-N 0 0 448.541 2.942 50 0 IFAARN Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000024597677 557512948 /nfs/dbraw/zinc/51/29/48/557512948.db2.gz HCRWMVXEVKHQTR-QGZVFWFLSA-N 0 0 426.897 2.959 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)c(C)c1 ZINC000012068953 557526190 /nfs/dbraw/zinc/52/61/90/557526190.db2.gz YZQGPQSWCKCISD-UHFFFAOYSA-N 0 0 444.601 2.834 50 0 IFAARN O=S(=O)(CCCOc1ccccc1)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000211107039 557534077 /nfs/dbraw/zinc/53/40/77/557534077.db2.gz NVIIBCBHMOBVJN-HXUWFJFHSA-N 0 0 441.546 2.863 50 0 IFAARN CCO[C@@H](C)c1noc(CN2CCCN([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)n1 ZINC000107145850 557534853 /nfs/dbraw/zinc/53/48/53/557534853.db2.gz HGCNSMNQQXXFPJ-MOPGFXCFSA-N 0 0 429.565 2.722 50 0 IFAARN O=C(N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000107288786 557535455 /nfs/dbraw/zinc/53/54/55/557535455.db2.gz PXMTWSFGSHWZCO-HKUYNNGSSA-N 0 0 449.486 2.619 50 0 IFAARN CS(=O)(=O)N1CCc2cc(C(=O)Cn3nc(-c4ccccc4Cl)ccc3=O)ccc21 ZINC000044892331 557539877 /nfs/dbraw/zinc/53/98/77/557539877.db2.gz PGPYBXNPQYZSMD-UHFFFAOYSA-N 0 0 443.912 2.769 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000108067559 557539880 /nfs/dbraw/zinc/53/98/80/557539880.db2.gz KKDMISMDIBDVSH-BMGDILEWSA-N 0 0 448.361 2.567 50 0 IFAARN C[C@H](C(=O)Nc1cc(F)ccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000108990374 557545077 /nfs/dbraw/zinc/54/50/77/557545077.db2.gz LAZIENUAHAUXGN-UONOGXRCSA-N 0 0 430.455 2.988 50 0 IFAARN COC(=O)CCCCCCNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 ZINC000045792893 557545688 /nfs/dbraw/zinc/54/56/88/557545688.db2.gz LHMVOXVRBYLRAF-GOSISDBHSA-N 0 0 444.619 2.635 50 0 IFAARN O=C(CSc1n[nH]c(=O)c2cc(-c3cccs3)nn21)Nc1ccc2c(c1)OCCO2 ZINC000045938846 557548208 /nfs/dbraw/zinc/54/82/08/557548208.db2.gz NHNOZLWLHKQENM-UHFFFAOYSA-N 0 0 441.494 2.648 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccc1OC)C(=O)CS2 ZINC000045960877 557554884 /nfs/dbraw/zinc/55/48/84/557554884.db2.gz UWFHNTVZOFTOHY-UHFFFAOYSA-N 0 0 441.553 2.932 50 0 IFAARN Cc1c(-c2nc(-c3ccncc3)no2)sc2ncn(CC(=O)NCc3ccco3)c(=O)c12 ZINC000045971873 557555507 /nfs/dbraw/zinc/55/55/07/557555507.db2.gz BXSDJEWPDUNBLX-UHFFFAOYSA-N 0 0 448.464 2.788 50 0 IFAARN COc1cccc(CNC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)c1 ZINC000045970819 557558358 /nfs/dbraw/zinc/55/83/58/557558358.db2.gz XPHRBJKMEXKEAV-UHFFFAOYSA-N 0 0 427.530 2.641 50 0 IFAARN Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)n1 ZINC000040060338 557687790 /nfs/dbraw/zinc/68/77/90/557687790.db2.gz APFMTSCABRUSPJ-UHFFFAOYSA-N 0 0 432.546 2.731 50 0 IFAARN O[C@@H](COc1cccc2c1CCCC2N=Nc1nncc2ccccc21)CN1CCOCC1 ZINC000096028141 557711674 /nfs/dbraw/zinc/71/16/74/557711674.db2.gz SFIIPLZCTLFSRI-WRQPMBBJSA-N 0 0 447.539 2.854 50 0 IFAARN CNC(=O)C[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 ZINC000225475662 557727295 /nfs/dbraw/zinc/72/72/95/557727295.db2.gz HVHQUZPISXSISF-MSOLQXFVSA-N 0 0 444.329 2.796 50 0 IFAARN COC(=O)c1cccc2c1CCCN2C(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000225502553 557731309 /nfs/dbraw/zinc/73/13/09/557731309.db2.gz CQCRONJIBYLAIG-CYBMUJFWSA-N 0 0 427.423 2.736 50 0 IFAARN COC(=O)C[C@@](C)(NCC(=O)NCCOc1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000225571431 557744661 /nfs/dbraw/zinc/74/46/61/557744661.db2.gz OBIHNHVAZMOTHF-JOCHJYFZSA-N 0 0 434.920 2.912 50 0 IFAARN Cc1cccc(Cl)c1NC(=O)Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O ZINC000040478235 557753514 /nfs/dbraw/zinc/75/35/14/557753514.db2.gz WEYMAWJOSANUDK-UHFFFAOYSA-N 0 0 426.839 2.776 50 0 IFAARN CC(C)Cc1ncnc(N2CCC[C@@H](c3nncn3C)C2)c1I ZINC000225650489 557756896 /nfs/dbraw/zinc/75/68/96/557756896.db2.gz GHSVBOWPEREFIT-GFCCVEGCSA-N 0 0 426.306 2.792 50 0 IFAARN CCn1nccc1CN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000225673261 557761050 /nfs/dbraw/zinc/76/10/50/557761050.db2.gz OZCOWBMZIGWZGF-UHFFFAOYSA-N 0 0 425.455 2.829 50 0 IFAARN COc1ccc(Br)cc1Cc1nnnn1CC(=O)NCc1ccccc1C ZINC000225709741 557767078 /nfs/dbraw/zinc/76/70/78/557767078.db2.gz IJPZUJCMTPEGFD-UHFFFAOYSA-N 0 0 430.306 2.660 50 0 IFAARN COC1CCN(C(=O)NC[C@@H](NC(=O)N2CCC(OC)CC2)[C@@H](C)c2ccccc2)CC1 ZINC000225829225 557782223 /nfs/dbraw/zinc/78/22/23/557782223.db2.gz MIZYQKAFJUCSOU-PGRDOPGGSA-N 0 0 446.592 2.800 50 0 IFAARN CC(C)(C)OC(=O)N1CC(O)(CNC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)C1 ZINC000225852881 557785517 /nfs/dbraw/zinc/78/55/17/557785517.db2.gz FZVQUPIKHRGORE-UHFFFAOYSA-N 0 0 435.912 2.688 50 0 IFAARN CCOC(=O)CNc1nc(Cl)nc(Nc2ccc(I)cc2)n1 ZINC000000848424 557829593 /nfs/dbraw/zinc/82/95/93/557829593.db2.gz HPZFWDCPVYRSNA-UHFFFAOYSA-N 0 0 433.637 2.848 50 0 IFAARN CCc1ccc(CN(C)C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000024993316 557830361 /nfs/dbraw/zinc/83/03/61/557830361.db2.gz BXIOIYAFRCVCEO-UHFFFAOYSA-N 0 0 432.542 2.737 50 0 IFAARN COC(=O)NCCCc1nc(C(C)(C)S(=O)(=O)c2ccc(Br)cc2)no1 ZINC000241515497 557846588 /nfs/dbraw/zinc/84/65/88/557846588.db2.gz OFVGYRSAOLNRGU-UHFFFAOYSA-N 0 0 446.323 2.830 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000000880042 557848992 /nfs/dbraw/zinc/84/89/92/557848992.db2.gz QAPTVBHEUVKPIJ-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000001158566 562920653 /nfs/dbraw/zinc/92/06/53/562920653.db2.gz KKCUGKFGLMOMPX-UHFFFAOYSA-N 0 0 427.320 2.759 50 0 IFAARN CSc1ncc(Cl)c(C(=O)N(Cc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000008612046 562958942 /nfs/dbraw/zinc/95/89/42/562958942.db2.gz JRWDRIQHHIXBIH-AWEZNQCLSA-N 0 0 425.963 2.990 50 0 IFAARN CCOC(=O)C1=NN(C(=O)COc2ccccc2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000000796948 562919161 /nfs/dbraw/zinc/91/91/61/562919161.db2.gz MFLKANXBEQNPMI-FQEVSTJZSA-N 0 0 447.285 2.825 50 0 IFAARN COc1ccc(CCNC(=O)Cn2nnc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC ZINC000001431305 562921912 /nfs/dbraw/zinc/92/19/12/562921912.db2.gz ILEIHAWOGYTTHA-UHFFFAOYSA-N 0 0 435.406 2.735 50 0 IFAARN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N(CC)CC)ccc1OCC)[nH]c2=O ZINC000002273695 562926691 /nfs/dbraw/zinc/92/66/91/562926691.db2.gz WTOLCZSAGBICPA-UHFFFAOYSA-N 0 0 447.561 2.705 50 0 IFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSCc1c(F)cccc1Cl ZINC000002382209 562927283 /nfs/dbraw/zinc/92/72/83/562927283.db2.gz JKQSAVDNEINSSR-UHFFFAOYSA-N 0 0 442.921 2.673 50 0 IFAARN Cc1cccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)c1 ZINC000002430714 562927612 /nfs/dbraw/zinc/92/76/12/562927612.db2.gz PJBVAQWHAMQBKL-UHFFFAOYSA-N 0 0 430.512 2.526 50 0 IFAARN COc1ccc(N2CCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1 ZINC000002438343 562927715 /nfs/dbraw/zinc/92/77/15/562927715.db2.gz BROLJNNZZCNPRE-UHFFFAOYSA-N 0 0 431.496 2.690 50 0 IFAARN COc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1 ZINC000002661073 562929613 /nfs/dbraw/zinc/92/96/13/562929613.db2.gz FPYNWKVXMOTTSD-UHFFFAOYSA-N 0 0 447.538 2.507 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 ZINC000002873874 562930345 /nfs/dbraw/zinc/93/03/45/562930345.db2.gz RYSCWEDJPWGBOT-GOSISDBHSA-N 0 0 432.542 2.729 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1C ZINC000002889368 562930429 /nfs/dbraw/zinc/93/04/29/562930429.db2.gz KIJQZCDNQHBYLF-UHFFFAOYSA-N 0 0 449.598 2.876 50 0 IFAARN CCOC(=O)CSc1nc2ccsc2c(=O)n1C1CCN(C(=O)OCC)CC1 ZINC000002925355 562930613 /nfs/dbraw/zinc/93/06/13/562930613.db2.gz JPHZZDRNXQZZMP-UHFFFAOYSA-N 0 0 425.532 2.907 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCCc2ccccc2)C(C)C)cc1 ZINC000002938967 562930861 /nfs/dbraw/zinc/93/08/61/562930861.db2.gz DVCSODWQODPIDZ-NRFANRHFSA-N 0 0 431.558 2.697 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)N(C)Cc2ccccc2)C(C)C)cc1 ZINC000002938939 562930891 /nfs/dbraw/zinc/93/08/91/562930891.db2.gz CKZYVMNKIMAZME-OAQYLSRUSA-N 0 0 431.558 2.997 50 0 IFAARN CCOc1cc2[nH]c(=O)n(CCCCC(=O)NCc3ccco3)c(=O)c2cc1OCC ZINC000002952638 562931102 /nfs/dbraw/zinc/93/11/02/562931102.db2.gz MENIARJEVANHON-UHFFFAOYSA-N 0 0 429.473 2.567 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)ccc1F ZINC000003219366 562932977 /nfs/dbraw/zinc/93/29/77/562932977.db2.gz MNYSXKXWGFLGNH-UHFFFAOYSA-N 0 0 444.431 2.930 50 0 IFAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2cnccn2)nc1C ZINC000003250807 562933329 /nfs/dbraw/zinc/93/33/29/562933329.db2.gz ITELLTQQKDSBQV-UHFFFAOYSA-N 0 0 440.481 2.808 50 0 IFAARN O=S(=O)(c1ccc2oc(SCc3cn4ccsc4n3)nc2c1)N1CCOCC1 ZINC000003287142 562933743 /nfs/dbraw/zinc/93/37/43/562933743.db2.gz HVSGZWSLVHMCCM-UHFFFAOYSA-N 0 0 436.540 2.850 50 0 IFAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)N2CCc3ccccc32)C(C)C)c1 ZINC000003292549 562933843 /nfs/dbraw/zinc/93/38/43/562933843.db2.gz PCGAQKKWJWVLPY-QFIPXVFZSA-N 0 0 440.496 2.591 50 0 IFAARN COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1OC ZINC000003330440 562934274 /nfs/dbraw/zinc/93/42/74/562934274.db2.gz UCGWYUCXCIKLGA-KAZNXQFFSA-N 0 0 442.537 2.862 50 0 IFAARN Cc1c2ccc3ccccc3c2oc1C(=O)OCC(=O)NCCN1C(=O)CSC1=O ZINC000003360869 562934851 /nfs/dbraw/zinc/93/48/51/562934851.db2.gz OPKQYOFSHKVQFK-UHFFFAOYSA-N 0 0 426.450 2.863 50 0 IFAARN Cc1ccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000003392764 562935167 /nfs/dbraw/zinc/93/51/67/562935167.db2.gz PICMXSFLILVZCT-UHFFFAOYSA-N 0 0 430.526 2.643 50 0 IFAARN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000004099236 562941730 /nfs/dbraw/zinc/94/17/30/562941730.db2.gz TWJLSCKAWHOBAV-GOSISDBHSA-N 0 0 440.525 2.817 50 0 aggregator IFAARN CCc1nn([C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc3occc3n21 ZINC000004099712 562941794 /nfs/dbraw/zinc/94/17/94/562941794.db2.gz AAHQEVWTRLMJPC-CQSZACIVSA-N 0 0 438.484 2.742 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc(Br)s1)NCc1ccc2c(c1)OCO2 ZINC000004103980 562942006 /nfs/dbraw/zinc/94/20/06/562942006.db2.gz ZDKNFUDGVYFINW-UHFFFAOYSA-N 0 0 432.317 2.720 50 0 IFAARN CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2CC)S[C@@H](C)C3)s1 ZINC000004115485 562942139 /nfs/dbraw/zinc/94/21/39/562942139.db2.gz GPRJQOQOYLDMRI-QMMMGPOBSA-N 0 0 429.618 2.994 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)[C@@H]1C ZINC000004111696 562942142 /nfs/dbraw/zinc/94/21/42/562942142.db2.gz NSSUXYQMXSEYIM-JXXFODFXSA-N 0 0 445.585 2.878 50 0 IFAARN O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000004164717 562942469 /nfs/dbraw/zinc/94/24/69/562942469.db2.gz TUCDLBLAMFMQMH-UHFFFAOYSA-N 0 0 428.460 2.758 50 0 IFAARN CN(C)S(=O)(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000004295608 562943028 /nfs/dbraw/zinc/94/30/28/562943028.db2.gz LWEBIUKLNWRIHH-QFBILLFUSA-N 0 0 436.505 2.845 50 0 IFAARN CCCCN(C(=O)c1c(C)onc1-c1ccccc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000005937909 562945428 /nfs/dbraw/zinc/94/54/28/562945428.db2.gz CLTJARNGXPINQU-UHFFFAOYSA-N 0 0 425.489 2.939 50 0 IFAARN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000006090206 562946216 /nfs/dbraw/zinc/94/62/16/562946216.db2.gz IOFNRAMYRPDAKX-UHFFFAOYSA-N 0 0 437.949 2.851 50 0 IFAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000006577021 562947418 /nfs/dbraw/zinc/94/74/18/562947418.db2.gz MJYSTWGKSWLQEX-LJQANCHMSA-N 0 0 441.557 2.593 50 0 IFAARN CCOC(=O)N1CCN(C(=O)C[S@](=O)Cc2nc(-c3cccc(C)c3)oc2C)CC1 ZINC000006577252 562947556 /nfs/dbraw/zinc/94/75/56/562947556.db2.gz OZHGKSHWGNUCTH-PMERELPUSA-N 0 0 433.530 2.508 50 0 IFAARN COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000006577425 562947610 /nfs/dbraw/zinc/94/76/10/562947610.db2.gz PPOUFWVZSOTONG-UHFFFAOYSA-N 0 0 439.537 2.961 50 0 IFAARN Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccc(F)cc1 ZINC000006577602 562947740 /nfs/dbraw/zinc/94/77/40/562947740.db2.gz ZIQDNXYKOOCRNG-UHFFFAOYSA-N 0 0 443.529 2.787 50 0 IFAARN COc1ccc(CCNC(=O)[C@]2(C)CCC(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000006577691 562947810 /nfs/dbraw/zinc/94/78/10/562947810.db2.gz VXHQPDMGPGGLBV-DEOSSOPVSA-N 0 0 440.496 2.673 50 0 aggregator IFAARN Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)NCCc1ccccc1 ZINC000006577930 562947957 /nfs/dbraw/zinc/94/79/57/562947957.db2.gz MXITZLMRWBNQGT-UHFFFAOYSA-N 0 0 439.566 2.691 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2C)cc1 ZINC000006578076 562948023 /nfs/dbraw/zinc/94/80/23/562948023.db2.gz KTASRFWXRCUZHV-UHFFFAOYSA-N 0 0 441.538 2.979 50 0 IFAARN CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1nnc(C)s1 ZINC000006878501 562948473 /nfs/dbraw/zinc/94/84/73/562948473.db2.gz ZUWPIXOMDHZRKF-UHFFFAOYSA-N 0 0 435.510 2.509 50 0 IFAARN CCOC(=O)CNC(=O)CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12 ZINC000008589762 562951372 /nfs/dbraw/zinc/95/13/72/562951372.db2.gz SCPLOMYCMGAOHX-UHFFFAOYSA-N 0 0 431.558 2.815 50 0 IFAARN COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000008590675 562951772 /nfs/dbraw/zinc/95/17/72/562951772.db2.gz GXGQKKUDNVILJX-UHFFFAOYSA-N 0 0 441.553 2.992 50 0 IFAARN Cc1ccc(-n2c(=O)c3c(c4cc(C)ccc4n3C)n(CC(=O)N3CCCC3)c2=O)cc1 ZINC000008591462 562951998 /nfs/dbraw/zinc/95/19/98/562951998.db2.gz UBMXCTAALVASRO-UHFFFAOYSA-N 0 0 430.508 2.883 50 0 IFAARN CCOc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc(OCC)c1OCC ZINC000008594581 562953038 /nfs/dbraw/zinc/95/30/38/562953038.db2.gz BXOOCWYXJXNJCK-UHFFFAOYSA-N 0 0 441.484 2.686 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccccc3OC)cc2C[C@@H]1C ZINC000008595259 562953404 /nfs/dbraw/zinc/95/34/04/562953404.db2.gz VASGQLIVBZETHD-INIZCTEOSA-N 0 0 444.553 2.863 50 0 IFAARN COCCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccc2c(c1)OCCO2 ZINC000008598858 562954447 /nfs/dbraw/zinc/95/44/47/562954447.db2.gz CEYDVUZXHUNEGG-DQRAZIAOSA-N 0 0 428.466 2.648 50 0 IFAARN Cc1cccc(N(C)C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000008600993 562955197 /nfs/dbraw/zinc/95/51/97/562955197.db2.gz LRVJCQVDWGULJQ-UHFFFAOYSA-N 0 0 441.553 2.626 50 0 IFAARN Cc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000008601544 562955413 /nfs/dbraw/zinc/95/54/13/562955413.db2.gz GWRWVLUKJYAMOE-FQEVSTJZSA-N 0 0 426.494 2.536 50 0 IFAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008601548 562955421 /nfs/dbraw/zinc/95/54/21/562955421.db2.gz RGQGXYVFPHIGLA-NRFANRHFSA-N 0 0 440.521 2.844 50 0 IFAARN Cc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2=O)cc1 ZINC000008601596 562955506 /nfs/dbraw/zinc/95/55/06/562955506.db2.gz QOABZWJLENHQDB-IBGZPJMESA-N 0 0 441.553 2.705 50 0 IFAARN O=C(CNC(=O)c1ccccc1F)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000008605488 562956733 /nfs/dbraw/zinc/95/67/33/562956733.db2.gz VLCHGMBKIZTJSG-UHFFFAOYSA-N 0 0 444.488 2.811 50 0 IFAARN CCCCn1c2ccsc2c(=O)n(CC2CCC(C(=O)NCCCOC)CC2)c1=O ZINC000008605862 562956887 /nfs/dbraw/zinc/95/68/87/562956887.db2.gz AKXCFXNEHWHEHE-UHFFFAOYSA-N 0 0 435.590 2.984 50 0 IFAARN COc1cc(OC)c(NC(=O)CN2c3cc(-c4cccn4C)nn3CCC2=O)cc1Cl ZINC000008609448 562957831 /nfs/dbraw/zinc/95/78/31/562957831.db2.gz CULWDDRCVYWFAA-UHFFFAOYSA-N 0 0 443.891 2.935 50 0 IFAARN COc1ccc(CCNC(=O)c2cnc3sc(N4CCCCCC4)nn3c2=O)cc1 ZINC000008609896 562957990 /nfs/dbraw/zinc/95/79/90/562957990.db2.gz YETNOYHUQDWUPH-UHFFFAOYSA-N 0 0 427.530 2.513 50 0 IFAARN CCOC(=O)c1noc2nc(C)n(CC(=O)Nc3ccc(Br)cc3C)c(=O)c12 ZINC000008610319 562958084 /nfs/dbraw/zinc/95/80/84/562958084.db2.gz GUXYKJVHURRIRX-UHFFFAOYSA-N 0 0 449.261 2.579 50 0 IFAARN COCCCNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008610701 562958221 /nfs/dbraw/zinc/95/82/21/562958221.db2.gz NWOOHLVSSVIMGK-UHFFFAOYSA-N 0 0 435.528 2.668 50 0 IFAARN CC(C)c1ccc(-c2nc3c(c(C(N)=O)n2)n(C)c(=O)n3-c2ccc3c(c2)OCO3)cc1 ZINC000008610556 562958275 /nfs/dbraw/zinc/95/82/75/562958275.db2.gz ZZBVUUWUSNMFAP-UHFFFAOYSA-N 0 0 431.452 2.737 50 0 IFAARN Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000008611268 562958485 /nfs/dbraw/zinc/95/84/85/562958485.db2.gz IOXFPYMGCKQOPL-UHFFFAOYSA-N 0 0 431.967 2.955 50 0 IFAARN Cc1nn(S(=O)(=O)c2ccc(C)c(C)c2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000008611399 562958547 /nfs/dbraw/zinc/95/85/47/562958547.db2.gz FFVMMHBVKRSMIG-UHFFFAOYSA-N 0 0 425.576 2.918 50 0 IFAARN CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)NCc1ccccc1Cl ZINC000008611858 562958741 /nfs/dbraw/zinc/95/87/41/562958741.db2.gz UKYDQUMRGHXXCI-UHFFFAOYSA-N 0 0 446.960 2.818 50 0 IFAARN COc1cc(OC)c(NC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)cc1Cl ZINC000008667019 562960567 /nfs/dbraw/zinc/96/05/67/562960567.db2.gz UZZQUYIQCNVESV-UHFFFAOYSA-N 0 0 443.887 2.817 50 0 IFAARN CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1 ZINC000008670621 562960708 /nfs/dbraw/zinc/96/07/08/562960708.db2.gz KLGZXNKCEHPKRV-UHFFFAOYSA-N 0 0 433.530 2.918 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCC1CCCCC1 ZINC000008671157 562960798 /nfs/dbraw/zinc/96/07/98/562960798.db2.gz NNIKRIPJCINMPU-UHFFFAOYSA-N 0 0 434.514 2.611 50 0 IFAARN Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000008691988 562963517 /nfs/dbraw/zinc/96/35/17/562963517.db2.gz ZFGIYMMYJYDQCN-UHFFFAOYSA-N 0 0 429.782 2.974 50 0 aggregator IFAARN Cc1ccccc1N1C[C@H](C(=O)Nc2nnc(SCCC3OCCO3)s2)CC1=O ZINC000008904616 562965933 /nfs/dbraw/zinc/96/59/33/562965933.db2.gz XFOPLWUFAFTFLB-CYBMUJFWSA-N 0 0 434.543 2.693 50 0 IFAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C1=O ZINC000008902069 562965940 /nfs/dbraw/zinc/96/59/40/562965940.db2.gz CCSWWMVEYGWXKI-FATZIPQQSA-N 0 0 438.459 2.747 50 0 IFAARN COc1ccccc1CNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009276309 562968720 /nfs/dbraw/zinc/96/87/20/562968720.db2.gz YBSMXYQFVXUBAI-UHFFFAOYSA-N 0 0 427.526 2.751 50 0 IFAARN C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C ZINC000009302536 562969073 /nfs/dbraw/zinc/96/90/73/562969073.db2.gz FZHQYMTYSZDTBX-NSHDSACASA-N 0 0 443.558 2.766 50 0 IFAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)NC3CCCC3)C2=O)cc1 ZINC000009387882 562969829 /nfs/dbraw/zinc/96/98/29/562969829.db2.gz UNWCJKOLTKYSDA-UHFFFAOYSA-N 0 0 437.496 2.558 50 0 IFAARN O=C(CSc1nc2nccnc2c(=O)n1Cc1cccs1)NCCc1ccccc1 ZINC000009405345 562970110 /nfs/dbraw/zinc/97/01/10/562970110.db2.gz KAXCHLAOBYVWBT-UHFFFAOYSA-N 0 0 437.550 2.747 50 0 IFAARN CCOc1ccc(CCNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)cc1 ZINC000009405589 562970128 /nfs/dbraw/zinc/97/01/28/562970128.db2.gz UDQBBGUYLJKPRI-UHFFFAOYSA-N 0 0 425.510 2.746 50 0 IFAARN Cc1cccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c2ccccc2F)c1 ZINC000009408462 562970286 /nfs/dbraw/zinc/97/02/86/562970286.db2.gz HWZJNOFQWAOPPR-WMZOPIPTSA-N 0 0 433.530 2.848 50 0 IFAARN Cc1cccc(C(=O)Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)c1 ZINC000009430012 562970653 /nfs/dbraw/zinc/97/06/53/562970653.db2.gz PKLCDNRZSFEVJU-FQEVSTJZSA-N 0 0 446.507 2.809 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2cc(Cl)cnc2[nH]1 ZINC000009464704 562971525 /nfs/dbraw/zinc/97/15/25/562971525.db2.gz SQYMLFXCZCJSJD-UHFFFAOYSA-N 0 0 439.950 2.901 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(S(C)(=O)=O)cc2)c1C ZINC000009463930 562971535 /nfs/dbraw/zinc/97/15/35/562971535.db2.gz ZVDYDUMMBIZODQ-LJQANCHMSA-N 0 0 444.553 2.967 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000009490398 562971969 /nfs/dbraw/zinc/97/19/69/562971969.db2.gz UQMTZBNNYCPGBN-UHFFFAOYSA-N 0 0 444.553 2.889 50 0 IFAARN COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1 ZINC000009493340 562972232 /nfs/dbraw/zinc/97/22/32/562972232.db2.gz UKTANIMWGGFUBS-HXUWFJFHSA-N 0 0 446.301 2.541 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc(F)cc3)CC2)cc1 ZINC000009507988 562972484 /nfs/dbraw/zinc/97/24/84/562972484.db2.gz UCPNXUIMAMPYIN-UHFFFAOYSA-N 0 0 436.530 2.654 50 0 IFAARN CC(C)(C)c1ccc(C(=O)NCc2nnc(SCC(=O)NC[C@H]3CCCO3)o2)cc1 ZINC000009518582 562972807 /nfs/dbraw/zinc/97/28/07/562972807.db2.gz AAWZAAIXKDAXFX-MRXNPFEDSA-N 0 0 432.546 2.684 50 0 IFAARN COc1cc(C2=NN(C(C)=O)[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC ZINC000009584506 562973625 /nfs/dbraw/zinc/97/36/25/562973625.db2.gz MQNUQTPEQADAKH-JOCHJYFZSA-N 0 0 446.456 2.977 50 0 IFAARN CCc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1 ZINC000009599028 562973782 /nfs/dbraw/zinc/97/37/82/562973782.db2.gz KEMDEVPTECXLKL-SFHVURJKSA-N 0 0 441.553 2.688 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(C)o3)CC2)cc1OC ZINC000009639270 562974675 /nfs/dbraw/zinc/97/46/75/562974675.db2.gz RLLXINXTPXINQF-UHFFFAOYSA-N 0 0 436.530 2.665 50 0 IFAARN COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 ZINC000009671554 562975222 /nfs/dbraw/zinc/97/52/22/562975222.db2.gz MBWWLLMDKNSAOJ-KRWDZBQOSA-N 0 0 429.542 2.775 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1F ZINC000009688627 562975559 /nfs/dbraw/zinc/97/55/59/562975559.db2.gz PRWVLSXYXYMCMO-UHFFFAOYSA-N 0 0 433.461 2.608 50 0 IFAARN COc1ccccc1NC(=O)COc1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1OC ZINC000009715541 562975967 /nfs/dbraw/zinc/97/59/67/562975967.db2.gz JIORGPGKHWUWMQ-UHFFFAOYSA-N 0 0 444.484 2.793 50 0 IFAARN C[C@H](NC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O)c1ccccc1 ZINC000009724385 562976027 /nfs/dbraw/zinc/97/60/27/562976027.db2.gz GVIQMHUNZFYEGS-INIZCTEOSA-N 0 0 439.537 2.814 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000009723171 562976083 /nfs/dbraw/zinc/97/60/83/562976083.db2.gz AMMRTMHMBMPGDU-UHFFFAOYSA-N 0 0 428.514 2.547 50 0 IFAARN CCn1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009725635 562976147 /nfs/dbraw/zinc/97/61/47/562976147.db2.gz FIHWNQHTWYGRAK-IRXDYDNUSA-N 0 0 445.585 2.924 50 0 IFAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1 ZINC000009744367 562976387 /nfs/dbraw/zinc/97/63/87/562976387.db2.gz SYQJDHPDDSSWCY-SFHVURJKSA-N 0 0 433.505 2.514 50 0 IFAARN Cc1ccc([C@H](C)NC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1C ZINC000009777690 562976757 /nfs/dbraw/zinc/97/67/57/562976757.db2.gz GZEUNQXNDAIZKY-KRWDZBQOSA-N 0 0 449.598 2.689 50 0 IFAARN COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 ZINC000009782713 562976855 /nfs/dbraw/zinc/97/68/55/562976855.db2.gz MSAHBZSAHSLWLT-INIZCTEOSA-N 0 0 430.526 2.824 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000009833833 562977326 /nfs/dbraw/zinc/97/73/26/562977326.db2.gz KCVRHUQYZBHXFM-IBGZPJMESA-N 0 0 448.566 2.675 50 0 IFAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 ZINC000009867383 562977640 /nfs/dbraw/zinc/97/76/40/562977640.db2.gz QXJWVNOYHBIIGV-MHECFPHRSA-N 0 0 437.496 2.533 50 0 IFAARN COc1ccc(C(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(OC)c1 ZINC000009985608 562978239 /nfs/dbraw/zinc/97/82/39/562978239.db2.gz MYIBYBGABOEKKY-PSLXWICFSA-N 0 0 446.500 2.567 50 0 IFAARN COc1cccc(CNC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)c1 ZINC000010186687 562978491 /nfs/dbraw/zinc/97/84/91/562978491.db2.gz YSBHBNAKKGUUFT-UHFFFAOYSA-N 0 0 436.537 2.592 50 0 IFAARN COc1ccccc1-c1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)o1 ZINC000010187046 562978534 /nfs/dbraw/zinc/97/85/34/562978534.db2.gz JJGKRLLKHSJPFP-ZDUSSCGKSA-N 0 0 434.499 2.599 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCC3)cc1 ZINC000010186731 562978535 /nfs/dbraw/zinc/97/85/35/562978535.db2.gz OAWXHAHMNGVTRL-UHFFFAOYSA-N 0 0 449.536 2.865 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)c1 ZINC000010186726 562978561 /nfs/dbraw/zinc/97/85/61/562978561.db2.gz RZIQHOQBNPCMSS-UHFFFAOYSA-N 0 0 449.536 2.865 50 0 IFAARN CN(Cc1ccon1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000011878863 562979762 /nfs/dbraw/zinc/97/97/62/562979762.db2.gz QXNIIQJGNNXIHY-JOCHJYFZSA-N 0 0 434.496 2.816 50 0 IFAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000012911360 562983488 /nfs/dbraw/zinc/98/34/88/562983488.db2.gz CXUYTTLWYOKUIE-UHFFFAOYSA-N 0 0 428.670 2.522 50 0 IFAARN CCCOc1ccc(OC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000013010752 562984027 /nfs/dbraw/zinc/98/40/27/562984027.db2.gz NOIOOPOPXUNENK-UHFFFAOYSA-N 0 0 449.525 2.653 50 0 IFAARN CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccco1 ZINC000013011285 562984108 /nfs/dbraw/zinc/98/41/08/562984108.db2.gz QEHUFKSOFSGAJV-FQEVSTJZSA-N 0 0 427.526 2.791 50 0 IFAARN O=C(NCCc1ccc(OC(F)F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000013149817 562985411 /nfs/dbraw/zinc/98/54/11/562985411.db2.gz TVFVKJXCSKJUGZ-OAHLLOKOSA-N 0 0 432.423 2.771 50 0 IFAARN CN(Cc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000013594083 562996551 /nfs/dbraw/zinc/99/65/51/562996551.db2.gz ABLBAITUASULRY-HSZRJFAPSA-N 0 0 447.539 2.562 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(=O)[nH]c3ccccc32)c1 ZINC000013598209 562996759 /nfs/dbraw/zinc/99/67/59/562996759.db2.gz RAHOJOCYFDAYDV-UHFFFAOYSA-N 0 0 429.498 2.820 50 0 IFAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000015680574 563017986 /nfs/dbraw/zinc/01/79/86/563017986.db2.gz UPNJWTYXOAVEJI-UHFFFAOYSA-N 0 0 436.946 2.938 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)C1 ZINC000015942370 563019680 /nfs/dbraw/zinc/01/96/80/563019680.db2.gz UVOBWSVDXGGVSY-ZHALLVOQSA-N 0 0 442.025 2.933 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCC[C@H](C)C4)C3)cc2C[C@@H]1C ZINC000015943453 563019940 /nfs/dbraw/zinc/01/99/40/563019940.db2.gz FJGWATLDWQXNBH-LNLFQRSKSA-N 0 0 447.601 2.643 50 0 IFAARN COc1ccccc1-c1nnc(SCC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)n1C ZINC000018972814 563022407 /nfs/dbraw/zinc/02/24/07/563022407.db2.gz WOPXISRWNHRLNP-UHFFFAOYSA-N 0 0 440.485 2.668 50 0 IFAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCCN4CCOCC4)C3)sc2c1 ZINC000020383498 563024614 /nfs/dbraw/zinc/02/46/14/563024614.db2.gz HDRNUPWKOWZRSH-QGZVFWFLSA-N 0 0 432.590 2.750 50 0 IFAARN CCN1CCN(C(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)CC1 ZINC000020415750 563024728 /nfs/dbraw/zinc/02/47/28/563024728.db2.gz RWWFKJLCEXPQDP-UHFFFAOYSA-N 0 0 429.524 2.564 50 0 IFAARN COc1ccc2c(c1)C[C@H](C(=O)NCCN1CCN(c3cccc(Cl)c3)CC1)CO2 ZINC000059560463 563146647 /nfs/dbraw/zinc/14/66/47/563146647.db2.gz KIKATQGHXNCHLN-SFHVURJKSA-N 0 0 429.948 2.838 50 0 IFAARN COc1ccc(Cn2cnc3c4nc(=O)n(Cc5ccc(OC)cc5)c-4ncnc32)cc1 ZINC000066066636 563157222 /nfs/dbraw/zinc/15/72/22/563157222.db2.gz COUMZXFUZDBRCZ-UHFFFAOYSA-N 0 0 428.452 2.602 50 0 in-vitro IFAARN O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NC1CCCCC1 ZINC000095544087 563180760 /nfs/dbraw/zinc/18/07/60/563180760.db2.gz ZQEHASFNXQUURA-UHFFFAOYSA-N 0 0 425.529 2.790 50 0 IFAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O ZINC000044840674 568625434 /nfs/dbraw/zinc/62/54/34/568625434.db2.gz ODNOSMXDRKVZQW-CQSZACIVSA-N 0 0 441.484 2.799 50 0 IFAARN Cc1nc(N2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)cc(C(F)(F)F)n1 ZINC000585149473 568627226 /nfs/dbraw/zinc/62/72/26/568627226.db2.gz VWZBGFVMYNWBLO-UHFFFAOYSA-N 0 0 437.447 2.863 50 0 IFAARN C[C@H](C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000018948187 568628993 /nfs/dbraw/zinc/62/89/93/568628993.db2.gz AEKJAQSJZMIMMA-CQSZACIVSA-N 0 0 447.447 2.528 50 0 IFAARN COC(=O)C1CCN(C2=C(C(=O)Nc3ccc(F)cc3)S(=O)(=O)c3ccccc32)CC1 ZINC000015019235 568630317 /nfs/dbraw/zinc/63/03/17/568630317.db2.gz UTLUZQCCBYYFPS-UHFFFAOYSA-N 0 0 444.484 2.805 50 0 IFAARN C[C@H](OC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000018995248 568631269 /nfs/dbraw/zinc/63/12/69/568631269.db2.gz WGPNERQCZOVUHG-AWEZNQCLSA-N 0 0 449.463 2.963 50 0 IFAARN COc1ccc(N2C(=O)N[C@H](CC(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)C2=O)cc1 ZINC000248238161 568634318 /nfs/dbraw/zinc/63/43/18/568634318.db2.gz NHJCFFFZQILWGN-UYAOXDASSA-N 0 0 435.484 2.900 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)NCc1cccc(Cl)c1 ZINC000019077325 568637353 /nfs/dbraw/zinc/63/73/53/568637353.db2.gz PFNMSCVPZJBAOF-INIZCTEOSA-N 0 0 438.962 2.964 50 0 IFAARN COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)NCc2cccnc2)c1OC ZINC000025132901 568638071 /nfs/dbraw/zinc/63/80/71/568638071.db2.gz CUQXMYFJGDVMAD-UHFFFAOYSA-N 0 0 445.472 2.969 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000000937630 568638714 /nfs/dbraw/zinc/63/87/14/568638714.db2.gz KXJIVXKTQZDSQP-UHFFFAOYSA-N 0 0 443.525 2.732 50 0 IFAARN CC(=O)O[C@H]1CC[C@]23[C@@H](O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@]1(C)CC[C@@H]34 ZINC000254415707 568644605 /nfs/dbraw/zinc/64/46/05/568644605.db2.gz XLUGVKZDVVAUBL-UJJXKLMESA-N 0 0 446.540 2.626 50 0 IFAARN O=C(c1ccoc1)N1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 ZINC000025237873 568648830 /nfs/dbraw/zinc/64/88/30/568648830.db2.gz XLZBVGPQKCYGMH-UHFFFAOYSA-N 0 0 439.493 2.679 50 0 IFAARN Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)n1CCC(C)C ZINC000025255979 568649062 /nfs/dbraw/zinc/64/90/62/568649062.db2.gz GTEKGGAAKBQCMH-UHFFFAOYSA-N 0 0 433.574 2.980 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000025413179 568656717 /nfs/dbraw/zinc/65/67/17/568656717.db2.gz AIQCLBAMLXOMSL-WMLDXEAASA-N 0 0 448.416 2.995 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000001090792 568658496 /nfs/dbraw/zinc/65/84/96/568658496.db2.gz PIDTVBMVDNBPOI-MUMAZLPKSA-N 0 0 426.519 2.565 50 0 IFAARN CN1C(=O)c2ccc(NC(=O)Cn3cnc4c(Cl)cc(Cl)cc4c3=O)cc2C1=O ZINC000025459326 568660410 /nfs/dbraw/zinc/66/04/10/568660410.db2.gz AIOUPNMDXGZTCL-UHFFFAOYSA-N 0 0 431.235 2.568 50 0 IFAARN CC1(C)Cc2cccc(OCC(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCC4)c2O1 ZINC000015224391 568732807 /nfs/dbraw/zinc/73/28/07/568732807.db2.gz FFOUDCFAQNRZDO-UHFFFAOYSA-N 0 0 444.509 2.610 50 0 IFAARN COc1cc(OC)cc([C@@H](NS(=O)(=O)c2cccc3nsnc32)c2nccn2C)c1 ZINC000019099413 568736528 /nfs/dbraw/zinc/73/65/28/568736528.db2.gz WLLBRWXVNQQDAR-QGZVFWFLSA-N 0 0 445.526 2.510 50 0 IFAARN COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000063376217 568739502 /nfs/dbraw/zinc/73/95/02/568739502.db2.gz UZTJEDVSAVRYMP-MSOLQXFVSA-N 0 0 438.908 2.502 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000001220297 568741897 /nfs/dbraw/zinc/74/18/97/568741897.db2.gz XGTPEQXASUFGBB-JKALPCAWSA-N 0 0 438.505 2.708 50 0 IFAARN O=C(NCc1ccccc1Cl)C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 ZINC000043944111 568743943 /nfs/dbraw/zinc/74/39/43/568743943.db2.gz LYBLMFIVAZDVAU-UHFFFAOYSA-N 0 0 431.895 2.764 50 0 IFAARN COc1ccc(CCS(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000043962555 568744577 /nfs/dbraw/zinc/74/45/77/568744577.db2.gz JNFRQSOQTICDFZ-UHFFFAOYSA-N 0 0 434.533 2.849 50 0 IFAARN Cc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)s1 ZINC000003351509 568746876 /nfs/dbraw/zinc/74/68/76/568746876.db2.gz AYXLZAIBBAZVOR-KRWDZBQOSA-N 0 0 432.502 2.740 50 0 IFAARN COc1ccc(-n2nnc3c2ncn(Cc2nc(-c4ccc(Cl)cc4)no2)c3=O)cc1 ZINC000044166582 568749272 /nfs/dbraw/zinc/74/92/72/568749272.db2.gz HOLRHANPRAUERE-UHFFFAOYSA-N 0 0 435.831 2.738 50 0 IFAARN COc1ccc(-n2nnc3c2ncn(Cc2nc(-c4ccc(SC)cc4)no2)c3=O)cc1 ZINC000044166602 568749317 /nfs/dbraw/zinc/74/93/17/568749317.db2.gz JEJSSFMMQTUVJX-UHFFFAOYSA-N 0 0 447.480 2.806 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccc(F)cc1 ZINC000003430659 568749365 /nfs/dbraw/zinc/74/93/65/568749365.db2.gz YWQQXBDHKKVGDF-UHFFFAOYSA-N 0 0 432.429 2.693 50 0 IFAARN COc1ccc(-c2cc(=NC(=O)/C=C/c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158300 568750841 /nfs/dbraw/zinc/75/08/41/568750841.db2.gz FNWOGMJJWLTVCJ-MCBBDGKISA-N 0 0 437.521 2.992 50 0 IFAARN O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1ccncc1 ZINC000003622952 568751757 /nfs/dbraw/zinc/75/17/57/568751757.db2.gz LZCCUXZMZDTDNG-HNNXBMFYSA-N 0 0 448.279 2.725 50 0 IFAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(OC(C)=O)cc3)N2C1=O ZINC000003636781 568752249 /nfs/dbraw/zinc/75/22/49/568752249.db2.gz NQOHBBOMKJQTJR-FUHWJXTLSA-N 0 0 432.498 2.840 50 0 IFAARN Cc1cc(C(=O)N2CCN(CCNC(=O)Cc3ccc(-c4ccccc4)cc3)CC2)no1 ZINC000044452411 568752567 /nfs/dbraw/zinc/75/25/67/568752567.db2.gz CCYISECVZDSDFQ-UHFFFAOYSA-N 0 0 432.524 2.767 50 0 IFAARN CN1C(=O)C[C@](CC(=O)N2CCN(c3ccc(F)cc3)CC2)(c2ccccc2Cl)C1=O ZINC000299759327 568755686 /nfs/dbraw/zinc/75/56/86/568755686.db2.gz QNWYOOUPBAIGFW-QHCPKHFHSA-N 0 0 443.906 2.845 50 0 IFAARN COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1c(F)cccc1Cl)CC2 ZINC000299761634 568755989 /nfs/dbraw/zinc/75/59/89/568755989.db2.gz YDUHSWYKEUTBBS-UHFFFAOYSA-N 0 0 433.911 2.944 50 0 IFAARN CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN(C)Cc1nonc1C ZINC000299765466 568756225 /nfs/dbraw/zinc/75/62/25/568756225.db2.gz BDSVEDHPPQTRQW-UHFFFAOYSA-N 0 0 438.484 2.921 50 0 IFAARN CCOc1cccc(CN2CCc3c(C(=O)N4CCCC4)c(OC)cc(=O)n3CC2)c1 ZINC000299769680 568756575 /nfs/dbraw/zinc/75/65/75/568756575.db2.gz PHRPXBDTFPMVPX-UHFFFAOYSA-N 0 0 425.529 2.550 50 0 IFAARN COc1ccc(OC[C@H]2CCCN(C(=O)COc3ccc(N4CCCC4)nn3)C2)cc1 ZINC000299782592 568757280 /nfs/dbraw/zinc/75/72/80/568757280.db2.gz FUHKLSMYWQGZGG-SFHVURJKSA-N 0 0 426.517 2.782 50 0 IFAARN O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCCc1cccs1)C2)c1ccncc1 ZINC000299783370 568757293 /nfs/dbraw/zinc/75/72/93/568757293.db2.gz YMRGOHRFCNQKMH-ZDUSSCGKSA-N 0 0 426.523 2.956 50 0 IFAARN COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccncc3)C[C@@H]2CCC(=O)[O-])CC1 ZINC000299785969 568757471 /nfs/dbraw/zinc/75/74/71/568757471.db2.gz PDJWYPXYSIWUII-FCHUYYIVSA-N 0 0 438.572 2.968 50 0 IFAARN COC(=O)[C@@H](NC1CCN(c2ccc(C(=O)N3CCOCC3)cc2)CC1)c1ccccc1 ZINC000299785898 568757540 /nfs/dbraw/zinc/75/75/40/568757540.db2.gz OKFZUDIBRJYVTR-QHCPKHFHSA-N 0 0 437.540 2.632 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccc(Br)cc2)cc1 ZINC000015328690 568758327 /nfs/dbraw/zinc/75/83/27/568758327.db2.gz AHORIKKTOGUDEO-UHFFFAOYSA-N 0 0 428.304 2.935 50 0 IFAARN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000059002888 568759866 /nfs/dbraw/zinc/75/98/66/568759866.db2.gz PJKQGYFWNDHPIA-CYBMUJFWSA-N 0 0 447.417 2.963 50 0 IFAARN Cc1c(C)[n+]([O-])c([C@H](c2ccc(Br)cc2)C2C(=O)OC(C)(C)OC2=O)n1C ZINC000263587202 568760429 /nfs/dbraw/zinc/76/04/29/568760429.db2.gz DHXJZRXJRHVJHY-CQSZACIVSA-N 0 0 437.290 2.622 50 0 IFAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc2nnc3ccccn32)c2ccccc21 ZINC000263587731 568760781 /nfs/dbraw/zinc/76/07/81/568760781.db2.gz KPYRQNFQFWLZJN-SFHVURJKSA-N 0 0 448.527 2.973 50 0 IFAARN Cc1c(C)[n+]([O-])c([C@H](c2cccnc2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 ZINC000263588305 568760910 /nfs/dbraw/zinc/76/09/10/568760910.db2.gz ROPAVARYPGERTI-LJQANCHMSA-N 0 0 435.480 2.766 50 0 IFAARN Cc1c(C)[n+]([O-])c([C@@H](c2cccnc2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 ZINC000263588304 568760998 /nfs/dbraw/zinc/76/09/98/568760998.db2.gz ROPAVARYPGERTI-IBGZPJMESA-N 0 0 435.480 2.766 50 0 IFAARN COc1ccc(CCNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015391175 568761603 /nfs/dbraw/zinc/76/16/03/568761603.db2.gz YOKPUXBVOJBLON-LJQANCHMSA-N 0 0 446.569 2.996 50 0 IFAARN CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl ZINC000001238420 568774328 /nfs/dbraw/zinc/77/43/28/568774328.db2.gz XGOHAUWRZRLNBN-UHFFFAOYSA-N 0 0 441.894 2.911 50 0 IFAARN COc1ccc(-c2noc(Cn3ccn4nc(-c5cccc(F)c5)c(CO)c4c3=O)n2)cc1 ZINC000263616259 568776528 /nfs/dbraw/zinc/77/65/28/568776528.db2.gz HUBTVCHUXFVTOT-UHFFFAOYSA-N 0 0 447.426 2.901 50 0 IFAARN O=C(NC1CCCC1)NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2F)C3)CC1 ZINC000263616581 568776662 /nfs/dbraw/zinc/77/66/62/568776662.db2.gz JMZGXERHHIRJHL-JOCHJYFZSA-N 0 0 442.539 2.895 50 0 IFAARN COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)c(CO)c4c3=O)n2)cc1 ZINC000263616533 568776736 /nfs/dbraw/zinc/77/67/36/568776736.db2.gz JHCCYAKGWLMBRZ-UHFFFAOYSA-N 0 0 447.426 2.901 50 0 IFAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccc(C)cc5)CC4)c3CO2)cc1 ZINC000263617436 568777232 /nfs/dbraw/zinc/77/72/32/568777232.db2.gz NUMZDYDQVQNGQD-JOCHJYFZSA-N 0 0 433.512 2.829 50 0 IFAARN COc1ccccc1CNC(=O)c1ccc(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc1 ZINC000263617641 568777245 /nfs/dbraw/zinc/77/72/45/568777245.db2.gz OVJIWPKQSQWFAS-UHFFFAOYSA-N 0 0 431.452 2.934 50 0 IFAARN O=C(NCc1ccccc1)N1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000263617904 568777443 /nfs/dbraw/zinc/77/74/43/568777443.db2.gz QGQBNSOAKZVOIJ-QHCPKHFHSA-N 0 0 432.528 2.577 50 0 IFAARN O=C(NCC1CC1)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 ZINC000263619100 568777912 /nfs/dbraw/zinc/77/79/12/568777912.db2.gz WXILUKYLGQZLHV-IBGZPJMESA-N 0 0 443.935 2.581 50 0 IFAARN CCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(OC)cc2)C3)CC1 ZINC000263619420 568778208 /nfs/dbraw/zinc/77/82/08/568778208.db2.gz YPJDCBZAVMKLKI-FQEVSTJZSA-N 0 0 426.517 2.542 50 0 IFAARN COc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)N5CCCC5)CC4)c3CO2)cc1 ZINC000263618274 568778209 /nfs/dbraw/zinc/77/82/09/568778209.db2.gz SAQFQLDKMCZJMD-OAQYLSRUSA-N 0 0 438.528 2.638 50 0 IFAARN CCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(OC)cc2)C3)CC1 ZINC000263619421 568778232 /nfs/dbraw/zinc/77/82/32/568778232.db2.gz YPJDCBZAVMKLKI-HXUWFJFHSA-N 0 0 426.517 2.542 50 0 IFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCO)c(=O)cc1[C@@H](N(C)N=O)CC2 ZINC000032109429 568781475 /nfs/dbraw/zinc/78/14/75/568781475.db2.gz LZBBCXNEQUUFOX-KRWDZBQOSA-N 0 0 429.473 2.744 50 0 IFAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(c5ccc(C)c(C)c5NC4=O)[C@H]3C2=O)cc1 ZINC000248378748 568782351 /nfs/dbraw/zinc/78/23/51/568782351.db2.gz KLOXZHXCWFWBAU-GQNXPXPTSA-N 0 0 443.503 2.937 50 0 IFAARN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1-c1ccccc1 ZINC000083962585 568787195 /nfs/dbraw/zinc/78/71/95/568787195.db2.gz UCTFSADCJSBIAU-QFIPXVFZSA-N 0 0 445.519 2.695 50 0 IFAARN Cc1cccc(C)c1NC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1C ZINC000001429019 568794118 /nfs/dbraw/zinc/79/41/18/568794118.db2.gz FHEPMPYVCNUDAN-UHFFFAOYSA-N 0 0 434.529 2.865 50 0 IFAARN O=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CO[C@H]2C=CC=C[C@@H]2O1 ZINC000223290492 568794207 /nfs/dbraw/zinc/79/42/07/568794207.db2.gz FPKARSCPTNRBHY-BZSNNMDCSA-N 0 0 437.323 2.993 50 0 IFAARN Cc1nn(CC(=O)Nc2ccn(Cc3ccccc3)n2)c(C)c1I ZINC000001430663 568794620 /nfs/dbraw/zinc/79/46/20/568794620.db2.gz LZSUEMZGHSZXKO-UHFFFAOYSA-N 0 0 435.269 2.988 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000046539599 568794743 /nfs/dbraw/zinc/79/47/43/568794743.db2.gz SDNOQLWWPUGQMK-UHFFFAOYSA-N 0 0 428.485 2.895 50 0 IFAARN O=C(OCc1ccccc1)C1=C[C@@]2(CC(=O)N(c3cccc(Br)c3)C2=O)NN1 ZINC000001431844 568795018 /nfs/dbraw/zinc/79/50/18/568795018.db2.gz QKIZSVCYQHUAQB-FQEVSTJZSA-N 0 0 442.269 2.544 50 0 IFAARN Cc1ccc(NC(=O)NC[C@@H]2COC(C)(C)O2)cc1NC(=O)NC[C@H]1COC(C)(C)O1 ZINC000084186115 568795751 /nfs/dbraw/zinc/79/57/51/568795751.db2.gz LAJGAPUAKVIKJB-CVEARBPZSA-N 0 0 436.509 2.541 50 0 IFAARN O=C(Oc1ccc(N2CCCC2=O)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019211194 568795878 /nfs/dbraw/zinc/79/58/78/568795878.db2.gz ZLLQABSXJHIBCF-UHFFFAOYSA-N 0 0 428.510 2.820 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N(C)CCOc2ccccc2C)c(Br)o1 ZINC000084247612 568796477 /nfs/dbraw/zinc/79/64/77/568796477.db2.gz DOUFVVCLSZYQNB-UHFFFAOYSA-N 0 0 432.292 2.837 50 0 IFAARN Cn1ccnc1C[C@H](NC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1 ZINC000084331590 568797071 /nfs/dbraw/zinc/79/70/71/568797071.db2.gz IBPYUSMTJVRHOF-SFTDATJTSA-N 0 0 434.496 2.627 50 0 IFAARN Cn1ccnc1C[C@H](NC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1 ZINC000084331586 568797089 /nfs/dbraw/zinc/79/70/89/568797089.db2.gz IBPYUSMTJVRHOF-RTWAWAEBSA-N 0 0 434.496 2.627 50 0 IFAARN O=C(Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000084374360 568797636 /nfs/dbraw/zinc/79/76/36/568797636.db2.gz CLHCJZAENDDGNJ-AWEZNQCLSA-N 0 0 427.309 2.902 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000015582694 568799044 /nfs/dbraw/zinc/79/90/44/568799044.db2.gz BMWLPWXUQADZLH-UHFFFAOYSA-N 0 0 425.938 2.704 50 0 IFAARN Cc1c(NS(=O)(=O)c2ccc(C(=O)NCC(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000015590689 568799204 /nfs/dbraw/zinc/79/92/04/568799204.db2.gz GYQUYEYRQNBXSE-UHFFFAOYSA-N 0 0 442.541 2.671 50 0 IFAARN C[C@@H](CCN1CCN(C(=O)c2cccs2)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000084637246 568799453 /nfs/dbraw/zinc/79/94/53/568799453.db2.gz PPRQEODLOQWFPL-SFHVURJKSA-N 0 0 446.642 2.804 50 0 IFAARN CC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1noc(-c2cccc(Br)c2)n1 ZINC000084734884 568800527 /nfs/dbraw/zinc/80/05/27/568800527.db2.gz NSNPMGRPIOILCV-RISCZKNCSA-N 0 0 442.335 2.891 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cc2c(cc1Cl)OCO2 ZINC000032496434 568811456 /nfs/dbraw/zinc/81/14/56/568811456.db2.gz JKOCUCDSUQGFBF-UHFFFAOYSA-N 0 0 425.846 2.642 50 0 IFAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC[C@H]1CCCO1 ZINC000015722359 568812114 /nfs/dbraw/zinc/81/21/14/568812114.db2.gz ATNMRTGQXGJGNB-LJQANCHMSA-N 0 0 433.574 2.891 50 0 IFAARN COc1ccc(-c2noc(CN3CCC(C(=O)NCCc4ccco4)CC3)n2)cc1OC ZINC000015726486 568812440 /nfs/dbraw/zinc/81/24/40/568812440.db2.gz GOXYVYNYULNZCX-UHFFFAOYSA-N 0 0 440.500 2.918 50 0 IFAARN COc1ccc(CCNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c(OC)c1 ZINC000015728166 568813150 /nfs/dbraw/zinc/81/31/50/568813150.db2.gz LFFHFLKKOVJXNI-KRWDZBQOSA-N 0 0 441.557 2.921 50 0 IFAARN Cc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000015730121 568813859 /nfs/dbraw/zinc/81/38/59/568813859.db2.gz FJAAMOFTFHLQBF-KBXCAEBGSA-N 0 0 429.498 2.506 50 0 IFAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cccc(Cl)c1Cl ZINC000015731409 568814760 /nfs/dbraw/zinc/81/47/60/568814760.db2.gz OGACTLWNZPKLGI-UHFFFAOYSA-N 0 0 447.340 2.990 50 0 IFAARN CCCN(CCC)c1nn2c(ncc(C(=O)NCc3ccc(OC)c(OC)c3)c2=O)s1 ZINC000015732832 568815449 /nfs/dbraw/zinc/81/54/49/568815449.db2.gz MFVNUNSZLNWYPB-UHFFFAOYSA-N 0 0 445.545 2.725 50 0 IFAARN C=C1C(N2CCC(C(=O)N3CCOCC3)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000015732979 568815497 /nfs/dbraw/zinc/81/54/97/568815497.db2.gz KFKBRFGJVXHKHE-UHFFFAOYSA-N 0 0 445.585 2.854 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CNC2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)cc1 ZINC000015735752 568816768 /nfs/dbraw/zinc/81/67/68/568816768.db2.gz XSSSFSXDIWNEER-UHFFFAOYSA-N 0 0 445.472 2.704 50 0 IFAARN C=C1C(NCC(=O)NCc2ccc(OCC)cc2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000015735766 568816793 /nfs/dbraw/zinc/81/67/93/568816793.db2.gz HGHLKLOORPZBEI-UHFFFAOYSA-N 0 0 431.489 2.603 50 0 IFAARN CC=C1C(NCC(=O)NCc2ccccc2OC)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000015735791 568816861 /nfs/dbraw/zinc/81/68/61/568816861.db2.gz YINLXVKQNFILHN-UHFFFAOYSA-N 0 0 427.526 2.773 50 0 IFAARN COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(OC)c2c(c1OC)OCO2 ZINC000085413082 568818000 /nfs/dbraw/zinc/81/80/00/568818000.db2.gz KOGGJXCOXPDSQM-IFXJQAMLSA-N 0 0 426.377 2.605 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000015759722 568820639 /nfs/dbraw/zinc/82/06/39/568820639.db2.gz BWEWGLWEBRPCQW-UHFFFAOYSA-N 0 0 439.541 2.537 50 0 IFAARN CCS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000063642976 568823307 /nfs/dbraw/zinc/82/33/07/568823307.db2.gz NVLJAKWEGGTVSI-UHFFFAOYSA-N 0 0 443.521 2.987 50 0 IFAARN Cc1cc(F)ccc1NC(=O)CCc1nnc2ccc(NCCCN3CCCC3=O)nn21 ZINC000015776765 568824027 /nfs/dbraw/zinc/82/40/27/568824027.db2.gz VLFJGTGRQYJUAC-UHFFFAOYSA-N 0 0 439.495 2.568 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(F)cc2)CC3)ccc1F ZINC000015780621 568825190 /nfs/dbraw/zinc/82/51/90/568825190.db2.gz VPVZBYHSHMWKKV-UHFFFAOYSA-N 0 0 436.480 2.927 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1C ZINC000085597897 568826006 /nfs/dbraw/zinc/82/60/06/568826006.db2.gz VTBMBANHHJRZDH-UHFFFAOYSA-N 0 0 425.938 2.973 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)cc1 ZINC000015784369 568827457 /nfs/dbraw/zinc/82/74/57/568827457.db2.gz WFKDIZIUFDANRF-LJQANCHMSA-N 0 0 441.553 2.904 50 0 IFAARN Cc1[nH]c(C(=O)NCc2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000085598058 568827470 /nfs/dbraw/zinc/82/74/70/568827470.db2.gz APUKFKDXPMYQOC-UHFFFAOYSA-N 0 0 433.530 2.711 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)S1 ZINC000006116637 568828691 /nfs/dbraw/zinc/82/86/91/568828691.db2.gz UUOPTRIAEYJCAT-HXUWFJFHSA-N 0 0 446.554 2.971 50 0 IFAARN Cc1cccc(CNC(=O)CCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000085644934 568829841 /nfs/dbraw/zinc/82/98/41/568829841.db2.gz LISWOXINHFEHCD-UHFFFAOYSA-N 0 0 441.557 2.621 50 0 IFAARN Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCCC2)c1 ZINC000085651633 568831438 /nfs/dbraw/zinc/83/14/38/568831438.db2.gz BBLWBZOOUYOPFP-UHFFFAOYSA-N 0 0 445.566 2.819 50 0 IFAARN O=c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nn1-c1ccc(F)cc1 ZINC000085654216 568832442 /nfs/dbraw/zinc/83/24/42/568832442.db2.gz KOCMOEYVWVAADG-UHFFFAOYSA-N 0 0 448.907 2.536 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000085654455 568832754 /nfs/dbraw/zinc/83/27/54/568832754.db2.gz NMYKSNQEPSJOFE-UHFFFAOYSA-N 0 0 438.553 2.614 50 0 IFAARN Cc1ccc(-n2nc(N3CCN(S(=O)(=O)c4ccccc4C)CC3)ccc2=O)cc1C ZINC000085654250 568833459 /nfs/dbraw/zinc/83/34/59/568833459.db2.gz OJUXNKYEQQUVOD-UHFFFAOYSA-N 0 0 438.553 2.669 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3nc(CS(=O)(=O)c4ccccc4)no3)C[C@H]2C)c1 ZINC000015786751 568836233 /nfs/dbraw/zinc/83/62/33/568836233.db2.gz DJLZQSXWCCVBOJ-QGZVFWFLSA-N 0 0 440.525 2.703 50 0 IFAARN COc1ccc(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)c(OC)c1OC ZINC000085876224 568837982 /nfs/dbraw/zinc/83/79/82/568837982.db2.gz LEKLGAYQDLJCEW-UHFFFAOYSA-N 0 0 430.409 2.827 50 0 IFAARN O=C(c1ccccc1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000015821091 568839791 /nfs/dbraw/zinc/83/97/91/568839791.db2.gz YWCSWJCLBQQAGT-UHFFFAOYSA-N 0 0 431.521 2.776 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 ZINC000086131464 568839906 /nfs/dbraw/zinc/83/99/06/568839906.db2.gz LGRZHDPPBIVZMK-AWEZNQCLSA-N 0 0 441.475 2.746 50 0 IFAARN COc1cnc(CSc2nnnn2C)cc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000015824193 568840444 /nfs/dbraw/zinc/84/04/44/568840444.db2.gz JVCZMKFVZCDVCH-UHFFFAOYSA-N 0 0 434.909 2.885 50 0 IFAARN COc1cccc(C(=O)Oc2ccc([C@@H]3SC(NC(C)=O)=NN3C(C)=O)cc2OC)c1 ZINC000015832894 568842182 /nfs/dbraw/zinc/84/21/82/568842182.db2.gz HWICUYMQCIOTNC-IBGZPJMESA-N 0 0 443.481 2.924 50 0 IFAARN CN1OC[C@H](S(=O)(=O)NCc2ccc3c(c2)OCO3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000248026478 568844481 /nfs/dbraw/zinc/84/44/81/568844481.db2.gz GUCXQRCXTYLZAZ-ZWKOTPCHSA-N 0 0 444.431 2.840 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)C(C)(C)CS4(=O)=O)cc3)CC2)c1 ZINC000015843133 568844672 /nfs/dbraw/zinc/84/46/72/568844672.db2.gz NPQIKAYZEKBMGV-UHFFFAOYSA-N 0 0 441.553 2.660 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 ZINC000015858456 568846597 /nfs/dbraw/zinc/84/65/97/568846597.db2.gz JSBBZYYZVPBGIA-NSHDSACASA-N 0 0 435.889 2.863 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1 ZINC000015858685 568846779 /nfs/dbraw/zinc/84/67/79/568846779.db2.gz RWKBYMQOCKYTND-UHFFFAOYSA-N 0 0 430.482 2.818 50 0 IFAARN O=C(C1=C(Nc2cccc(Br)c2)c2ccccc2S1(=O)=O)N1CCOCC1 ZINC000015868084 568851047 /nfs/dbraw/zinc/85/10/47/568851047.db2.gz GSHJGDRXLMIYDM-UHFFFAOYSA-N 0 0 449.326 2.876 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000019809983 568855356 /nfs/dbraw/zinc/85/53/56/568855356.db2.gz PRBKMPQMSJXQJJ-UHFFFAOYSA-N 0 0 425.348 2.964 50 0 IFAARN COc1cccc2sc(N3CCN(C(=O)CCS(=O)(=O)c4ccccc4)CC3)nc21 ZINC000015882409 568856568 /nfs/dbraw/zinc/85/65/68/568856568.db2.gz LQIGIEITJAFQGV-UHFFFAOYSA-N 0 0 445.566 2.818 50 0 IFAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)cc1 ZINC000015882578 568856954 /nfs/dbraw/zinc/85/69/54/568856954.db2.gz LXQPYPCEHTWRLF-DEOSSOPVSA-N 0 0 428.536 2.922 50 0 IFAARN O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1ccc2c(c1)OCO2 ZINC000015882768 568857232 /nfs/dbraw/zinc/85/72/32/568857232.db2.gz RDNIYOMVGYFHBQ-UHFFFAOYSA-N 0 0 425.466 2.833 50 0 IFAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1nc2ccccc2s1 ZINC000015883413 568857554 /nfs/dbraw/zinc/85/75/54/568857554.db2.gz KKASNQFSOYUQEB-UHFFFAOYSA-N 0 0 441.538 2.535 50 0 IFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cc(C)ccc1C ZINC000015883426 568857557 /nfs/dbraw/zinc/85/75/57/568857557.db2.gz HZERGBNVVSPEAI-UHFFFAOYSA-N 0 0 426.542 2.932 50 0 IFAARN Cc1ccccc1NC(=O)CSc1c(CC(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000015883657 568857790 /nfs/dbraw/zinc/85/77/90/568857790.db2.gz BEZRJQGSYMMWCQ-UHFFFAOYSA-N 0 0 426.542 2.870 50 0 IFAARN COc1ccc(C(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000015883718 568857821 /nfs/dbraw/zinc/85/78/21/568857821.db2.gz BPLGXTNZDLJURA-UHFFFAOYSA-N 0 0 427.526 2.814 50 0 IFAARN O=S(=O)(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc(C2CCCCC2)cc1 ZINC000575414365 568860826 /nfs/dbraw/zinc/86/08/26/568860826.db2.gz HYJCKVLDWWFTSV-FQEVSTJZSA-N 0 0 440.631 2.664 50 0 IFAARN CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O ZINC000025693166 568862042 /nfs/dbraw/zinc/86/20/42/568862042.db2.gz GHEIPEXVLWLMRH-RTWAWAEBSA-N 0 0 436.512 2.632 50 0 IFAARN O=C(c1cnn(-c2ccccc2)n1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414870 568862450 /nfs/dbraw/zinc/86/24/50/568862450.db2.gz MNPALRNTNPGCCZ-LJQANCHMSA-N 0 0 430.917 2.923 50 0 IFAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000012935708 568864835 /nfs/dbraw/zinc/86/48/35/568864835.db2.gz GCYXJGRGULCVSV-UHFFFAOYSA-N 0 0 436.497 2.758 50 0 IFAARN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 ZINC000012942385 568870348 /nfs/dbraw/zinc/87/03/48/568870348.db2.gz GNXNMLTZZNGSJQ-UHFFFAOYSA-N 0 0 428.514 2.525 50 0 IFAARN CCOc1ccc(NC(=O)CN2CCn3cccc3[C@H]2C)cc1S(=O)(=O)N(CC)CC ZINC000012943437 568870459 /nfs/dbraw/zinc/87/04/59/568870459.db2.gz DBQHEWSHTXNMQH-QGZVFWFLSA-N 0 0 448.589 2.933 50 0 IFAARN O=C(CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1Br ZINC000012944886 568870531 /nfs/dbraw/zinc/87/05/31/568870531.db2.gz ZKLUXFDLINDHRL-OAHLLOKOSA-N 0 0 430.302 2.553 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)C3(c4ccccc4)CC3)CC2)cc1 ZINC000012945094 568870582 /nfs/dbraw/zinc/87/05/82/568870582.db2.gz KQUBQZBWULROHN-UHFFFAOYSA-N 0 0 441.553 2.646 50 0 IFAARN C[C@H]1CCCN(c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2Cc2ccco2)C1 ZINC000012945610 568870877 /nfs/dbraw/zinc/87/08/77/568870877.db2.gz PJGZKFKEFCXDFS-AWEZNQCLSA-N 0 0 434.566 2.872 50 0 IFAARN COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@@H]4C2=O)c1 ZINC000015905326 568872514 /nfs/dbraw/zinc/87/25/14/568872514.db2.gz MNUZQXZGLGFDJP-ICLZECGLSA-N 0 0 443.503 2.822 50 0 IFAARN O=C(N1CCN(c2ccc(-n3cncn3)nn2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000575609913 568878938 /nfs/dbraw/zinc/87/89/38/568878938.db2.gz BFQKQWPAYKSPEL-UHFFFAOYSA-N 0 0 437.935 2.871 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)Nc3cc4c(cc3F)N(C)S(=O)(=O)N4C)CC2=O)cc1C ZINC000575611000 568879087 /nfs/dbraw/zinc/87/90/87/568879087.db2.gz CYMJHSOJSUZKDA-AWEZNQCLSA-N 0 0 446.504 2.565 50 0 IFAARN CN1c2ccc(F)cc2N(CCNC(=O)Cc2cccc(C(F)(F)F)c2)S1(=O)=O ZINC000575610815 568879093 /nfs/dbraw/zinc/87/90/93/568879093.db2.gz BOSGGPFXMWFWHC-UHFFFAOYSA-N 0 0 431.411 2.704 50 0 IFAARN Cc1cc2c(cc1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)N2C ZINC000575612490 568879383 /nfs/dbraw/zinc/87/93/83/568879383.db2.gz MSVOURQUZORGSR-AWEZNQCLSA-N 0 0 438.550 2.711 50 0 IFAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccsc2)n2nc(C)cc2C)c1 ZINC000575614196 568879971 /nfs/dbraw/zinc/87/99/71/568879971.db2.gz PEPFIYRFWTYKGT-KRWDZBQOSA-N 0 0 449.554 2.925 50 0 IFAARN CC(=O)O[C@H]1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@H]([C@@H]5C=CC(=O)O5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1 ZINC000035361176 568880459 /nfs/dbraw/zinc/88/04/59/568880459.db2.gz SHENECVDVUHQOP-FKRJMTOBSA-N 0 0 443.540 2.792 50 0 IFAARN Cn1c(=O)n(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)nc1C(F)(F)F ZINC000575615113 568881110 /nfs/dbraw/zinc/88/11/10/568881110.db2.gz MNEZCTGMZSZQHY-UHFFFAOYSA-N 0 0 438.328 2.977 50 0 IFAARN COc1c(F)c(F)cc(C(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1F ZINC000575616279 568881525 /nfs/dbraw/zinc/88/15/25/568881525.db2.gz YSQORTHGOOLBLL-UHFFFAOYSA-N 0 0 438.328 2.504 50 0 IFAARN O=c1c2ccccc2ncn1[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000575617676 568881838 /nfs/dbraw/zinc/88/18/38/568881838.db2.gz QIHNVRNLAFCTBW-GOSISDBHSA-N 0 0 435.509 2.608 50 0 IFAARN O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575618271 568882087 /nfs/dbraw/zinc/88/20/87/568882087.db2.gz UOZJABIWCLAYEC-QFBILLFUSA-N 0 0 434.471 2.752 50 0 IFAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575618238 568882172 /nfs/dbraw/zinc/88/21/72/568882172.db2.gz UMIIGDKADSKRHY-QGZVFWFLSA-N 0 0 440.525 2.689 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)c2c(nc1-n1nc(C)cc1C)CCC2 ZINC000009520914 568883775 /nfs/dbraw/zinc/88/37/75/568883775.db2.gz GWYVYRCXOXVYAB-UHFFFAOYSA-N 0 0 427.892 2.835 50 0 IFAARN CCOc1ccc(CCNC(=O)CN2C(=O)N[C@](C)(c3cccs3)C2=O)cc1OCC ZINC000089267954 568887582 /nfs/dbraw/zinc/88/75/82/568887582.db2.gz JIHVOAANVXZDPJ-JOCHJYFZSA-N 0 0 445.541 2.671 50 0 IFAARN O=C(Nc1nc2c(s1)CN(C(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CC2)c1ccoc1 ZINC000090582632 568888139 /nfs/dbraw/zinc/88/81/39/568888139.db2.gz ZTAJANVTHSUDTD-OAHLLOKOSA-N 0 0 436.493 2.926 50 0 IFAARN O=C(Nc1nc2c(s1)CN(C(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CC2)c1ccoc1 ZINC000090582635 568888288 /nfs/dbraw/zinc/88/82/88/568888288.db2.gz ZTAJANVTHSUDTD-HNNXBMFYSA-N 0 0 436.493 2.926 50 0 IFAARN COc1ccc(-n2nncc2CN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cc1F ZINC000090590557 568888494 /nfs/dbraw/zinc/88/84/94/568888494.db2.gz BYKYGSBWFAHJAM-UHFFFAOYSA-N 0 0 434.475 2.854 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3nc4c(cccc4F)s3)C2)cc1 ZINC000090593929 568888893 /nfs/dbraw/zinc/88/88/93/568888893.db2.gz VLSFLCAJZKIYQL-UHFFFAOYSA-N 0 0 435.502 2.589 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCN(Cc4cnc5ccccn45)CC3)[nH]n2)c1 ZINC000090609412 568891394 /nfs/dbraw/zinc/89/13/94/568891394.db2.gz ZFRSXHNWODYIJU-UHFFFAOYSA-N 0 0 446.511 2.700 50 0 IFAARN C[C@H](NC(=O)CSc1ncc(S(=O)(=O)c2ccccc2)c(N)n1)c1ccccc1 ZINC000090610061 568891580 /nfs/dbraw/zinc/89/15/80/568891580.db2.gz DKMHJSUQUOXYNV-AWEZNQCLSA-N 0 0 428.539 2.861 50 0 IFAARN COCc1cc2nn(CC(=O)N3CCCc4ccccc43)c(=O)n2c(-c2ccccc2)n1 ZINC000090610159 568891886 /nfs/dbraw/zinc/89/18/86/568891886.db2.gz KLJYDSCFEJUWEE-UHFFFAOYSA-N 0 0 429.480 2.684 50 0 IFAARN CCCCn1c2nc(COC(=O)Cc3noc4ccccc34)n(CCC)c2c(=O)[nH]c1=O ZINC000018965500 568894687 /nfs/dbraw/zinc/89/46/87/568894687.db2.gz DMLBEDVMCZTVGY-UHFFFAOYSA-N 0 0 439.472 2.524 50 0 IFAARN CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 ZINC000012983097 568894935 /nfs/dbraw/zinc/89/49/35/568894935.db2.gz LOFIGRRAYFBJQU-KRWDZBQOSA-N 0 0 435.594 2.886 50 0 IFAARN C[C@@H](Sc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012989485 568895263 /nfs/dbraw/zinc/89/52/63/568895263.db2.gz HSCQKJKMPDAPAZ-ZBFHGGJFSA-N 0 0 445.545 2.905 50 0 IFAARN Cc1noc(C)c1CC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000036389691 568896283 /nfs/dbraw/zinc/89/62/83/568896283.db2.gz KZGCEIISCQIPLM-UHFFFAOYSA-N 0 0 440.422 2.515 50 0 IFAARN COC(=O)c1cc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc(C(=O)OC)c1 ZINC000012997223 568896884 /nfs/dbraw/zinc/89/68/84/568896884.db2.gz RTOUEVQZNMWVST-UHFFFAOYSA-N 0 0 439.399 2.506 50 0 IFAARN CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000012999948 568898202 /nfs/dbraw/zinc/89/82/02/568898202.db2.gz QULNHEPLPMDMHE-UHFFFAOYSA-N 0 0 432.571 2.567 50 0 IFAARN O=C(COc1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000013002547 568898258 /nfs/dbraw/zinc/89/82/58/568898258.db2.gz AHGKWFYELATTIK-UHFFFAOYSA-N 0 0 429.325 2.905 50 0 IFAARN COc1cccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)CC2=O)c1 ZINC000013021429 568902222 /nfs/dbraw/zinc/90/22/22/568902222.db2.gz NBFYKVSOBNLMSU-KRWDZBQOSA-N 0 0 441.915 2.686 50 0 IFAARN N=c1n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccc(Br)cc1 ZINC000015773718 568905239 /nfs/dbraw/zinc/90/52/39/568905239.db2.gz YHQAMDJWKKUYNE-UHFFFAOYSA-N 0 0 443.345 2.900 50 0 IFAARN COCCn1c(NCCC(c2ccccc2)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000006444849 568907235 /nfs/dbraw/zinc/90/72/35/568907235.db2.gz PFWUCPMUFOPPFK-UHFFFAOYSA-N 0 0 433.512 2.704 50 0 IFAARN CCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 ZINC000089274538 568909856 /nfs/dbraw/zinc/90/98/56/568909856.db2.gz CJIADYUJCVHNDO-AWEZNQCLSA-N 0 0 426.539 2.921 50 0 IFAARN CCOc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2S(C)(=O)=O)c1 ZINC000089269932 568910078 /nfs/dbraw/zinc/91/00/78/568910078.db2.gz OXKXYFRLOJPYHM-LJQANCHMSA-N 0 0 437.543 2.568 50 0 IFAARN O=C(CN1CCn2cccc2[C@H]1c1ccccc1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000240900715 568912173 /nfs/dbraw/zinc/91/21/73/568912173.db2.gz ITKSIONSXRUPDD-XUZZJYLKSA-N 0 0 441.597 2.851 50 0 IFAARN C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(CC(=O)NCc1ccccc1OC(F)(F)F)C2=O ZINC000241287507 568912211 /nfs/dbraw/zinc/91/22/11/568912211.db2.gz LLZRUWOKOIVOSK-WURKVNMJSA-N 0 0 427.423 2.948 50 0 IFAARN COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1OC ZINC000245232260 568913030 /nfs/dbraw/zinc/91/30/30/568913030.db2.gz SAKMJRLYVPELEG-JTDSTZFVSA-N 0 0 442.365 2.947 50 0 IFAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5cc(C)ccc5N4[C@H](C(C)=O)[C@H]3C2=O)cc1 ZINC000245256514 568914018 /nfs/dbraw/zinc/91/40/18/568914018.db2.gz QFOXYBRIWZFRPC-WZYRSQIMSA-N 0 0 430.460 2.899 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCCC[C@H]2C)C1 ZINC000245257623 568914308 /nfs/dbraw/zinc/91/43/08/568914308.db2.gz AITZGEKYOSYEOU-BRWVUGGUSA-N 0 0 449.573 2.662 50 0 IFAARN C[C@H](NC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)c1ccccc1 ZINC000245380982 568915242 /nfs/dbraw/zinc/91/52/42/568915242.db2.gz YSSRYQXLQDZDLL-GDIGMMSISA-N 0 0 429.567 2.787 50 0 IFAARN CS(=O)(=O)c1ccc(F)c(NCC(=O)Nc2cccc(I)c2)c1 ZINC000026789347 568917039 /nfs/dbraw/zinc/91/70/39/568917039.db2.gz VQTBNPQKLDAYQU-UHFFFAOYSA-N 0 0 448.257 2.884 50 0 IFAARN CN(CC(=O)N1CCC(O)CC1)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000089335384 568920537 /nfs/dbraw/zinc/92/05/37/568920537.db2.gz VKSLTTPXHFDWFN-UHFFFAOYSA-N 0 0 432.524 2.654 50 0 IFAARN CNS(=O)(=O)c1ccccc1N1CCN(CCOc2cccc3ccccc32)CC1 ZINC000089395946 568922291 /nfs/dbraw/zinc/92/22/91/568922291.db2.gz HAKIYZHWKPMODZ-UHFFFAOYSA-N 0 0 425.554 2.949 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000016626546 568926589 /nfs/dbraw/zinc/92/65/89/568926589.db2.gz VLNGPEQLJOGPIG-IJEWVQPXSA-N 0 0 438.956 2.869 50 0 IFAARN C[S@](=O)C[C@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)c1ccccc1 ZINC000089493044 568926796 /nfs/dbraw/zinc/92/67/96/568926796.db2.gz FLINFBUWIIFFHB-ODCWNRFASA-N 0 0 427.295 2.763 50 0 IFAARN CC(C)Cn1cc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c(C(F)F)n1 ZINC000089496746 568926995 /nfs/dbraw/zinc/92/69/95/568926995.db2.gz OIVSPMIHWRGGLY-NSHDSACASA-N 0 0 425.461 2.542 50 0 IFAARN COc1ccccc1-n1c(=O)n(CC(=O)N2CCCC[C@H]2C)c(=O)c2c(C)cc(C)nc21 ZINC000064450243 568928650 /nfs/dbraw/zinc/92/86/50/568928650.db2.gz DFJTXDMSFFIYSG-QGZVFWFLSA-N 0 0 436.512 2.574 50 0 IFAARN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)N(Cc1noc(C3CC3)n1)C(=O)CO2 ZINC000064450730 568928806 /nfs/dbraw/zinc/92/88/06/568928806.db2.gz NDUJHYCUVZNWLS-UHFFFAOYSA-N 0 0 440.481 2.982 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(F)cc4C)cc32)no1 ZINC000064450699 568928832 /nfs/dbraw/zinc/92/88/32/568928832.db2.gz GCWYKZZZHCHDSD-UHFFFAOYSA-N 0 0 446.460 2.806 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc32)no1 ZINC000064450673 568928900 /nfs/dbraw/zinc/92/89/00/568928900.db2.gz MSXLTABDLFBBIE-UHFFFAOYSA-N 0 0 442.497 2.975 50 0 IFAARN CCN(CC)c1cc2c(cc1NC(=O)Cc1ccc(Cl)cc1)n(C)c(=O)c(=O)n2C ZINC000064526252 568931372 /nfs/dbraw/zinc/93/13/72/568931372.db2.gz NCUDRSDXCSLCNA-UHFFFAOYSA-N 0 0 428.920 2.918 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(C(=O)c2cccc(OC)c2OC)CC3)n1C ZINC000064567060 568933318 /nfs/dbraw/zinc/93/33/18/568933318.db2.gz JICCYLJOBJHBQP-UHFFFAOYSA-N 0 0 442.545 2.543 50 0 IFAARN CCC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C(=O)[O-])CC1 ZINC000064580560 568934564 /nfs/dbraw/zinc/93/45/64/568934564.db2.gz AUJAQJKNWDVXJI-UHFFFAOYSA-N 0 0 433.530 2.726 50 0 IFAARN COc1cccc(-n2ccn3c(SCC(=O)Nc4ccccc4F)nnc3c2=O)c1 ZINC000064593697 568936090 /nfs/dbraw/zinc/93/60/90/568936090.db2.gz KNCCNUZJTMARIE-UHFFFAOYSA-N 0 0 425.445 2.759 50 0 IFAARN Cc1sc2nc(CCC(=O)N3CCC[C@H](C(=O)Nc4nccs4)C3)[nH]c(=O)c2c1C ZINC000089565231 568937658 /nfs/dbraw/zinc/93/76/58/568937658.db2.gz PCAPGJSWBKRXGG-ZDUSSCGKSA-N 0 0 445.570 2.868 50 0 IFAARN CCOC(=O)c1oc2ccccc2c1Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O ZINC000016683341 568937696 /nfs/dbraw/zinc/93/76/96/568937696.db2.gz MEYBRXQRXREYBA-UHFFFAOYSA-N 0 0 432.498 2.850 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000089573850 568937901 /nfs/dbraw/zinc/93/79/01/568937901.db2.gz QSSFXWZATCRVHB-AWEZNQCLSA-N 0 0 425.913 2.813 50 0 IFAARN COCCn1c2c(cc(F)cc2F)s/c1=N/C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000016689667 568938105 /nfs/dbraw/zinc/93/81/05/568938105.db2.gz UVWPWLYHNOOLOW-DYTRJAOYSA-N 0 0 426.466 2.772 50 0 IFAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1nc(-c3ccccc3)oc1C)c(=O)n2C ZINC000064604654 568938914 /nfs/dbraw/zinc/93/89/14/568938914.db2.gz KDPVZLQPVIIYHR-UHFFFAOYSA-N 0 0 446.463 2.771 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(Cc2noc(C4CCC4)n2)C(=O)CO3)CC1 ZINC000064605684 568939637 /nfs/dbraw/zinc/93/96/37/568939637.db2.gz AMTGQRSRDIUBHJ-UHFFFAOYSA-N 0 0 446.529 2.683 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1=O)C3 ZINC000036369860 568940174 /nfs/dbraw/zinc/94/01/74/568940174.db2.gz WUGRUJALTBGRMC-NRFANRHFSA-N 0 0 435.480 2.884 50 0 IFAARN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000027084011 568941376 /nfs/dbraw/zinc/94/13/76/568941376.db2.gz FOVZCYZQSMCBDO-UHFFFAOYSA-N 0 0 444.495 2.704 50 0 IFAARN COCCNC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[nH]2)CC1 ZINC000064611816 568941481 /nfs/dbraw/zinc/94/14/81/568941481.db2.gz BBTHARUOUMXDMS-UHFFFAOYSA-N 0 0 426.542 2.939 50 0 IFAARN CCOC(=O)CNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000064611651 568941624 /nfs/dbraw/zinc/94/16/24/568941624.db2.gz OENVCMHLLTUPSF-OAHLLOKOSA-N 0 0 440.525 2.547 50 0 IFAARN CCCCNC(=O)[C@H]1CN(C(=S)NC(C)C)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044713 568943915 /nfs/dbraw/zinc/94/39/15/568943915.db2.gz VXVDGSPJZDCPTA-IRXDYDNUSA-N 0 0 437.606 2.927 50 0 IFAARN CCC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)CC(C)C ZINC000036065221 568944773 /nfs/dbraw/zinc/94/47/73/568944773.db2.gz SOEAHAAIALRBFM-UHFFFAOYSA-N 0 0 439.560 2.695 50 0 IFAARN COc1cccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)[C@H](C)C(C)C)c1 ZINC000036065573 568945261 /nfs/dbraw/zinc/94/52/61/568945261.db2.gz YYWGAZBMTWCIKR-LJQANCHMSA-N 0 0 444.576 2.792 50 0 IFAARN O=C(CN(C(=O)C1CC1)C1CC1)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000036074237 568946327 /nfs/dbraw/zinc/94/63/27/568946327.db2.gz DVWKCINCYRYIHG-UHFFFAOYSA-N 0 0 437.519 2.722 50 0 IFAARN O=C(NCc1ccccc1)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036085589 568947650 /nfs/dbraw/zinc/94/76/50/568947650.db2.gz IYEYDQDKSGOHLY-UHFFFAOYSA-N 0 0 448.429 2.651 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccccc3)nn(-c3ccc(F)cc3)c2=O)c1 ZINC000036085525 568948158 /nfs/dbraw/zinc/94/81/58/568948158.db2.gz JFPLTJKNALNYOS-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCc3ccco3)c(=O)n(Cc3ccccc3C)c2=O)cc1C ZINC000036086373 568948617 /nfs/dbraw/zinc/94/86/17/568948617.db2.gz DTVASTRGCZJJNU-UHFFFAOYSA-N 0 0 444.491 2.891 50 0 IFAARN CCCNC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086470 568948654 /nfs/dbraw/zinc/94/86/54/568948654.db2.gz SVLYIADOVGYTLB-UHFFFAOYSA-N 0 0 426.904 2.853 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036087444 568948870 /nfs/dbraw/zinc/94/88/70/568948870.db2.gz YDNDYSQBHIIKHY-HNNXBMFYSA-N 0 0 426.904 2.933 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCc3ccco3)c(=O)n(Cc3ccccc3C)c2=O)cc1 ZINC000036086678 568948973 /nfs/dbraw/zinc/94/89/73/568948973.db2.gz GPAJKVLBEVFDNZ-UHFFFAOYSA-N 0 0 430.464 2.582 50 0 IFAARN Cc1cccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036086801 568949147 /nfs/dbraw/zinc/94/91/47/568949147.db2.gz LWJDPYYPZXHALG-UHFFFAOYSA-N 0 0 426.476 2.681 50 0 IFAARN CCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000036086754 568949203 /nfs/dbraw/zinc/94/92/03/568949203.db2.gz RUPPNAFUFHTCFX-UHFFFAOYSA-N 0 0 432.402 2.519 50 0 IFAARN Cc1cccc(-n2nc(C(=O)NCC(C)C)c(=O)n(Cc3ccccc3Cl)c2=O)c1 ZINC000036087082 568949305 /nfs/dbraw/zinc/94/93/05/568949305.db2.gz ZPOOMDUGAIGYFE-UHFFFAOYSA-N 0 0 426.904 2.790 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036086982 568949410 /nfs/dbraw/zinc/94/94/10/568949410.db2.gz RPWBZJXXPYAUON-HNNXBMFYSA-N 0 0 426.904 2.933 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCc3ccco3)c(=O)n([C@@H](C)c3ccccc3)c2=O)cc1F ZINC000036088965 568950141 /nfs/dbraw/zinc/95/01/41/568950141.db2.gz MDCXRABLZQCHBU-INIZCTEOSA-N 0 0 448.454 2.974 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NC(C)C)c(=O)n(Cc3ccccc3C)c2=O)cc1Cl ZINC000036089202 568950468 /nfs/dbraw/zinc/95/04/68/568950468.db2.gz RHSWTDDYZRMKQS-UHFFFAOYSA-N 0 0 426.904 2.851 50 0 IFAARN CNC(=O)c1cnc(-c2ccc(F)cc2)n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O ZINC000064759442 568951776 /nfs/dbraw/zinc/95/17/76/568951776.db2.gz MPPHBCJCDMLNLS-UHFFFAOYSA-N 0 0 444.850 2.710 50 0 IFAARN CCNC(=O)c1cnc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc(F)cc2F)c1=O ZINC000064759463 568952039 /nfs/dbraw/zinc/95/20/39/568952039.db2.gz NONPZHMTZKVDLI-UHFFFAOYSA-N 0 0 430.386 2.716 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccc(C)cc3F)c(=O)n2c2ccsc2c1=O ZINC000064775226 568954509 /nfs/dbraw/zinc/95/45/09/568954509.db2.gz UVUTWERLBZIQDP-UHFFFAOYSA-N 0 0 429.477 2.759 50 0 IFAARN CC(C)c1ccc(NC(=O)Cn2c3nccnc3c(=O)n(CCc3ccccc3)c2=O)cc1 ZINC000064775347 568954516 /nfs/dbraw/zinc/95/45/16/568954516.db2.gz DWZKBMDZSMAZGX-UHFFFAOYSA-N 0 0 443.507 2.958 50 0 IFAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C1CC1 ZINC000036117362 568955793 /nfs/dbraw/zinc/95/57/93/568955793.db2.gz ZYRBYJOKIBBELM-HXUWFJFHSA-N 0 0 444.553 2.899 50 0 IFAARN CC(=O)N1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789648 568957398 /nfs/dbraw/zinc/95/73/98/568957398.db2.gz RBJKCXGMOBNFNC-UHFFFAOYSA-N 0 0 429.473 2.982 50 0 IFAARN COc1ccc(CN(C(=O)c2ccccc2OC)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000064791867 568959007 /nfs/dbraw/zinc/95/90/07/568959007.db2.gz POAVZVMZGDAWFB-UHFFFAOYSA-N 0 0 433.468 2.899 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1c(C)cccc1C ZINC000064817641 568964850 /nfs/dbraw/zinc/96/48/50/568964850.db2.gz ZHTRJSOYQPZKIX-UHFFFAOYSA-N 0 0 445.523 2.992 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)Nc1ccc(F)cc1 ZINC000064817599 568964890 /nfs/dbraw/zinc/96/48/90/568964890.db2.gz USNFUDFDOKMKKE-UHFFFAOYSA-N 0 0 449.486 2.709 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)cc1 ZINC000064817625 568964941 /nfs/dbraw/zinc/96/49/41/568964941.db2.gz GSKYDWZWGJPDFF-UHFFFAOYSA-N 0 0 431.496 2.683 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)cc2C)cn1C ZINC000064819011 568965873 /nfs/dbraw/zinc/96/58/73/568965873.db2.gz PFNQEPMILVQFBE-GOSISDBHSA-N 0 0 433.530 2.610 50 0 IFAARN CCOc1ccc(CCNC(=O)c2cc(=O)nc3sc(N4CCCCCC4)nn32)cc1 ZINC000064836667 568969379 /nfs/dbraw/zinc/96/93/79/568969379.db2.gz ONKQAAVETCRQEA-UHFFFAOYSA-N 0 0 441.557 2.903 50 0 IFAARN Cc1ccccc1OCc1nc(CCN(C)S(=O)(=O)c2cccc3nsnc32)no1 ZINC000064841715 568970430 /nfs/dbraw/zinc/97/04/30/568970430.db2.gz INJNYHCFEOQXMF-UHFFFAOYSA-N 0 0 445.526 2.825 50 0 IFAARN COc1ccc(OCc2nc(CCN(C)S(=O)(=O)c3ccc(C(C)=O)cc3)no2)cc1 ZINC000064842057 568970716 /nfs/dbraw/zinc/97/07/16/568970716.db2.gz BRVPYSABVMLSPY-UHFFFAOYSA-N 0 0 445.497 2.723 50 0 IFAARN COc1cc(NC(=O)N2CCC(CC(=O)NC[C@@H]3CCCO3)CC2)cc(OC)c1OC ZINC000064846766 568972216 /nfs/dbraw/zinc/97/22/16/568972216.db2.gz VIPCLRZYFUOVPL-KRWDZBQOSA-N 0 0 435.521 2.642 50 0 IFAARN CCCC(=O)OC[C@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CC1 ZINC000036205082 568972653 /nfs/dbraw/zinc/97/26/53/568972653.db2.gz GKUPANNAZHCMQZ-UKRRQHHQSA-N 0 0 433.574 2.778 50 0 IFAARN COCCCNC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036208510 568973445 /nfs/dbraw/zinc/97/34/45/568973445.db2.gz RJKHHEOPJQEJPR-OAQYLSRUSA-N 0 0 449.567 2.752 50 0 IFAARN CCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc21 ZINC000064861861 568973949 /nfs/dbraw/zinc/97/39/49/568973949.db2.gz RXCPDLOQTGPYEL-UHFFFAOYSA-N 0 0 446.548 2.819 50 0 IFAARN Cc1ccc(C)c(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCOCC3)CC2)c1 ZINC000006752471 568973983 /nfs/dbraw/zinc/97/39/83/568973983.db2.gz FDWCILCPQWRIDQ-UHFFFAOYSA-N 0 0 425.529 2.593 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000036210207 568974466 /nfs/dbraw/zinc/97/44/66/568974466.db2.gz NVKKGVRDOCUXSA-QFIPXVFZSA-N 0 0 443.588 2.995 50 0 IFAARN CCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036210455 568974657 /nfs/dbraw/zinc/97/46/57/568974657.db2.gz QEVDMNNREJSVST-FQEVSTJZSA-N 0 0 443.569 2.934 50 0 IFAARN CC(C)CNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC(C)C)CC1 ZINC000036211384 568975375 /nfs/dbraw/zinc/97/53/75/568975375.db2.gz GFHKIKUWEUQDRR-JOCHJYFZSA-N 0 0 445.560 2.571 50 0 IFAARN CCN(CC)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210921 568976963 /nfs/dbraw/zinc/97/69/63/568976963.db2.gz VCKMYWHWVCWDNZ-QFIPXVFZSA-N 0 0 431.577 2.947 50 0 IFAARN CCNC(=S)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000036214596 568977406 /nfs/dbraw/zinc/97/74/06/568977406.db2.gz PNHXICKXOULLOE-PXNSSMCTSA-N 0 0 430.618 2.792 50 0 IFAARN CC(C)CNC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCCC3 ZINC000006759093 568977786 /nfs/dbraw/zinc/97/77/86/568977786.db2.gz BPPRPRLPQCLAGO-UHFFFAOYSA-N 0 0 425.554 2.924 50 0 IFAARN Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2nccnc21 ZINC000064874414 568978634 /nfs/dbraw/zinc/97/86/34/568978634.db2.gz FXJKDBXYSRPKIR-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN CCOc1ccccc1NC(=O)[C@@H](CC)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000064888599 568979670 /nfs/dbraw/zinc/97/96/70/568979670.db2.gz JBFHSGKQNXMTEV-LJQANCHMSA-N 0 0 427.476 2.813 50 0 IFAARN COc1ccccc1NC(=O)CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064888921 568979676 /nfs/dbraw/zinc/97/96/76/568979676.db2.gz BYNUFLWEAKFPPK-UHFFFAOYSA-N 0 0 428.514 2.858 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)CCC3CCCC3)CC1)O[C@H](C)C(=O)N2 ZINC000064889689 568980384 /nfs/dbraw/zinc/98/03/84/568980384.db2.gz WMVAYYQDGACRAJ-MRXNPFEDSA-N 0 0 449.573 2.518 50 0 IFAARN O=C(CNC(=O)c1ccco1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 ZINC000064889499 568980401 /nfs/dbraw/zinc/98/04/01/568980401.db2.gz HXEHEGPITMUWJH-UHFFFAOYSA-N 0 0 435.484 2.676 50 0 IFAARN COc1cccc(NC(=O)CCn2nc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2=O)c1 ZINC000064892030 568982942 /nfs/dbraw/zinc/98/29/42/568982942.db2.gz CCKCSPURNFJJIU-INIZCTEOSA-N 0 0 432.480 2.872 50 0 IFAARN COc1cccc(C(=O)N2CCN([C@H](C(=O)NCc3ccco3)C3CCCC3)CC2)c1 ZINC000036251744 568984011 /nfs/dbraw/zinc/98/40/11/568984011.db2.gz WTLDWLYQYSWXBS-QFIPXVFZSA-N 0 0 425.529 2.921 50 0 IFAARN O=C(NC[C@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036253954 568984550 /nfs/dbraw/zinc/98/45/50/568984550.db2.gz UDELOTFNDCZLTK-NHCUHLMSSA-N 0 0 433.980 2.952 50 0 IFAARN CC(C)CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036254606 568984829 /nfs/dbraw/zinc/98/48/29/568984829.db2.gz GMMRLFMZNXLFLG-JOCHJYFZSA-N 0 0 429.561 2.894 50 0 IFAARN Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)c1 ZINC000064921116 568985645 /nfs/dbraw/zinc/98/56/45/568985645.db2.gz VGRCWJOEFPUCRH-MAUKXSAKSA-N 0 0 443.525 2.815 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)cc1 ZINC000064921102 568985660 /nfs/dbraw/zinc/98/56/60/568985660.db2.gz RZSDSFCQTZYJJJ-YJBOKZPZSA-N 0 0 443.525 2.815 50 0 IFAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2NC1=O ZINC000064921773 568985774 /nfs/dbraw/zinc/98/57/74/568985774.db2.gz PWYDSPILIHOLCC-IBGZPJMESA-N 0 0 449.573 2.646 50 0 IFAARN Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)NC[C@@H](C)c1ccccc1 ZINC000064925040 568986374 /nfs/dbraw/zinc/98/63/74/568986374.db2.gz DTRWVHJBWINRLO-GOSISDBHSA-N 0 0 448.571 2.968 50 0 IFAARN CCCn1c(=O)cc(C(=O)Nc2ccc(C)cc2Cl)c2c(=O)n(CCC)c(=O)n(C)c21 ZINC000064925910 568986604 /nfs/dbraw/zinc/98/66/04/568986604.db2.gz LUGOHGNEMJNZMG-UHFFFAOYSA-N 0 0 444.919 2.896 50 0 IFAARN COc1ccc(CNC(=O)C2CCN(c3ccc(=O)n(-c4cccc(F)c4)n3)CC2)cc1 ZINC000064927583 568986654 /nfs/dbraw/zinc/98/66/54/568986654.db2.gz ZWERUCZXGRWINU-UHFFFAOYSA-N 0 0 436.487 2.913 50 0 IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@@H](O)COCC(C)C ZINC000169677932 568990597 /nfs/dbraw/zinc/99/05/97/568990597.db2.gz SHOOZTIESVXCAN-JKSUJKDBSA-N 0 0 437.606 2.591 50 0 IFAARN Cc1ccc(C(=O)N(CC2CC2)C[C@H]2CN(C[C@@H](O)COc3ccccc3)CCO2)cc1 ZINC000169679318 568990846 /nfs/dbraw/zinc/99/08/46/568990846.db2.gz PHWDLVHMODSJGV-ILBGXUMGSA-N 0 0 438.568 2.988 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000169679366 568991017 /nfs/dbraw/zinc/99/10/17/568991017.db2.gz XUQBABWCLZMMOU-JTHBVZDNSA-N 0 0 429.524 2.669 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@@H]1[C@@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000169679347 568991021 /nfs/dbraw/zinc/99/10/21/568991021.db2.gz OCMPGTANAGIBQD-JTHBVZDNSA-N 0 0 447.514 2.808 50 0 IFAARN CCc1ccc(CNC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccccc3)c2=O)cc1 ZINC000169681083 568991466 /nfs/dbraw/zinc/99/14/66/568991466.db2.gz FXUNUXAYUKVLFG-UHFFFAOYSA-N 0 0 439.537 2.836 50 0 IFAARN COCCN(C[C@H]1CN(C[C@@H](O)C(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000169680580 568991925 /nfs/dbraw/zinc/99/19/25/568991925.db2.gz LFWWSUFYDGEFMG-RTBURBONSA-N 0 0 432.483 2.512 50 0 IFAARN CCc1cccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Cl)cc3)ccc2=O)c1 ZINC000064943185 568992324 /nfs/dbraw/zinc/99/23/24/568992324.db2.gz JFJSORNBFVPRKS-UHFFFAOYSA-N 0 0 431.901 2.931 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(C)cc3)ccc2=O)cc1Cl ZINC000064943343 568992446 /nfs/dbraw/zinc/99/24/46/568992446.db2.gz FVIPDRVRCDPKDN-UHFFFAOYSA-N 0 0 447.900 2.685 50 0 IFAARN COc1cc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)cc(OC)c1 ZINC000064945636 568992970 /nfs/dbraw/zinc/99/29/70/568992970.db2.gz JERHQVVFQPAURH-UHFFFAOYSA-N 0 0 439.497 2.640 50 0 IFAARN COc1cc(NC(=O)CSc2ncnc3nc(N(C)C)sc32)cc(OC)c1OC ZINC000064944005 568993315 /nfs/dbraw/zinc/99/33/15/568993315.db2.gz PPYNYJWZYSJTKR-UHFFFAOYSA-N 0 0 435.531 2.909 50 0 IFAARN COCC(=O)N(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312534 568997808 /nfs/dbraw/zinc/99/78/08/568997808.db2.gz FANHFLGVAPEDJE-UHFFFAOYSA-N 0 0 442.560 2.639 50 0 IFAARN CCOc1ccc(CNC(=O)Cn2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)cc1 ZINC000064970777 569076350 /nfs/dbraw/zinc/07/63/50/569076350.db2.gz AYWBUAGABUPQEU-UHFFFAOYSA-N 0 0 431.496 2.914 50 0 IFAARN CCOc1ccccc1CNC(=O)Cn1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970755 569076384 /nfs/dbraw/zinc/07/63/84/569076384.db2.gz WUVXIJKHYZNVLN-UHFFFAOYSA-N 0 0 431.496 2.914 50 0 IFAARN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@@H](C)C(=O)NCc1ccc3c(c1)OCO3)c2=O ZINC000064971176 569076543 /nfs/dbraw/zinc/07/65/43/569076543.db2.gz BHFAENXOZOZNSS-INIZCTEOSA-N 0 0 445.479 2.805 50 0 IFAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)n(C)c(=O)n4C)CC2)c1 ZINC000064976620 569077178 /nfs/dbraw/zinc/07/71/78/569077178.db2.gz MIZADKYGPVHXAB-UHFFFAOYSA-N 0 0 448.976 2.658 50 0 IFAARN CC(C)CC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)ccc21 ZINC000064977070 569077371 /nfs/dbraw/zinc/07/73/71/569077371.db2.gz WDZRIWANPSCVKI-UHFFFAOYSA-N 0 0 443.525 2.545 50 0 IFAARN CCC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)ccc21 ZINC000064976929 569077396 /nfs/dbraw/zinc/07/73/96/569077396.db2.gz NKPLERDITBAGSH-HNNXBMFYSA-N 0 0 441.553 2.762 50 0 IFAARN Cc1nn(-c2ccc3nncn3n2)c(C)c1CCC(=O)NCc1ccc(OC(C)C)cc1 ZINC000064977601 569077462 /nfs/dbraw/zinc/07/74/62/569077462.db2.gz VKKGLTCLLOJNAF-UHFFFAOYSA-N 0 0 433.516 2.963 50 0 IFAARN Cc1ccc(CNC(=O)N2CCC(N3CCN(Cc4ccccc4)C(=O)C3=O)CC2)cc1 ZINC000064979077 569078023 /nfs/dbraw/zinc/07/80/23/569078023.db2.gz SEFIXMMRTJUMIG-UHFFFAOYSA-N 0 0 434.540 2.540 50 0 IFAARN CCc1nc(C)nc(N2CCN(C[C@H](O)COC(C)C)CC2)c1Cc1ccccc1F ZINC000036340816 569078462 /nfs/dbraw/zinc/07/84/62/569078462.db2.gz GFUNNZZOJIDYDC-FQEVSTJZSA-N 0 0 430.568 2.985 50 0 IFAARN CCc1nc(C)nc(N2CCN(C[C@@H](O)COC(C)C)CC2)c1Cc1ccccc1F ZINC000036340817 569078567 /nfs/dbraw/zinc/07/85/67/569078567.db2.gz GFUNNZZOJIDYDC-HXUWFJFHSA-N 0 0 430.568 2.985 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCN(C(C)=O)CC3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000036341305 569079167 /nfs/dbraw/zinc/07/91/67/569079167.db2.gz UHAWDYZKTBGZND-QHCPKHFHSA-N 0 0 438.503 2.676 50 0 IFAARN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCN(C(C)=O)CC2)cc1 ZINC000036341213 569079214 /nfs/dbraw/zinc/07/92/14/569079214.db2.gz HKHOCUPVQALTQU-HSZRJFAPSA-N 0 0 438.503 2.676 50 0 IFAARN Cn1cccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCC2(CC1)OCCO2 ZINC000036342437 569079487 /nfs/dbraw/zinc/07/94/87/569079487.db2.gz QBOCLAYPHNWRRV-OAQYLSRUSA-N 0 0 426.492 2.681 50 0 IFAARN Cn1cccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CCC(C(N)=O)CC1 ZINC000036342450 569079508 /nfs/dbraw/zinc/07/95/08/569079508.db2.gz MDBSFCJPMFLTIB-FQEVSTJZSA-N 0 0 427.936 2.554 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCN(C)CC3)[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344943 569080444 /nfs/dbraw/zinc/08/04/44/569080444.db2.gz FKTVOOZFIJIOHN-QHCPKHFHSA-N 0 0 436.556 2.937 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc2c(cc1N1CCN(C)CC1)Oc1ccccc1NC2=O ZINC000064986623 569082266 /nfs/dbraw/zinc/08/22/66/569082266.db2.gz IFQANTKJQHNNII-UHFFFAOYSA-N 0 0 444.557 2.827 50 0 IFAARN O=C(CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1)NC[C@@H]1CCCO1 ZINC000064987295 569082487 /nfs/dbraw/zinc/08/24/87/569082487.db2.gz YBNONMFXJATJPJ-INIZCTEOSA-N 0 0 430.530 2.829 50 0 IFAARN COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)NC(C)(C)CO)c3)o2)cc1OC ZINC000064988078 569082812 /nfs/dbraw/zinc/08/28/12/569082812.db2.gz WDIFYFRAWVGEDW-UHFFFAOYSA-N 0 0 447.513 2.778 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)NCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000064991693 569084712 /nfs/dbraw/zinc/08/47/12/569084712.db2.gz AQXJWTVMNAWAOK-UHFFFAOYSA-N 0 0 438.918 2.931 50 0 IFAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccc(OCc3ccccn3)cc1)CC(=O)N2 ZINC000036358114 569084976 /nfs/dbraw/zinc/08/49/76/569084976.db2.gz LWNDJRTWJWUBIY-GOSISDBHSA-N 0 0 428.452 2.712 50 0 IFAARN Cn1cnc2c(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)nn(-c3ccccc3)c2c1=O ZINC000064998211 569085086 /nfs/dbraw/zinc/08/50/86/569085086.db2.gz VECXPEZXQHUIBT-UHFFFAOYSA-N 0 0 448.914 2.735 50 0 IFAARN CCOCCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000064999840 569086253 /nfs/dbraw/zinc/08/62/53/569086253.db2.gz DRWRENXVQRPSIF-UHFFFAOYSA-N 0 0 438.571 2.592 50 0 IFAARN COc1ccc(NC(=O)N(C)Cc2nc3cc(C(=O)N(C)C)ccc3n2C)c(OC)c1 ZINC000065008428 569087490 /nfs/dbraw/zinc/08/74/90/569087490.db2.gz LUUCRZFQACVPTN-UHFFFAOYSA-N 0 0 425.489 2.956 50 0 IFAARN Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)NC4CCCCC4)c(Cl)cc32)no1 ZINC000065022380 569088866 /nfs/dbraw/zinc/08/88/66/569088866.db2.gz VLEAUPFBSNOTDG-UHFFFAOYSA-N 0 0 440.909 2.568 50 0 IFAARN CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)CC1 ZINC000065022260 569089102 /nfs/dbraw/zinc/08/91/02/569089102.db2.gz JFSOYTAGKKESIT-UHFFFAOYSA-N 0 0 439.603 2.913 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCCC[C@H]1C)OCC(=O)N2Cc1noc(C2CC2)n1 ZINC000065022778 569089797 /nfs/dbraw/zinc/08/97/97/569089797.db2.gz KJVGZBURQLILSD-CQSZACIVSA-N 0 0 446.529 2.744 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc4c3=O)CC2)c1 ZINC000065034646 569092308 /nfs/dbraw/zinc/09/23/08/569092308.db2.gz LRNYZKVPFVOBNX-UHFFFAOYSA-N 0 0 447.488 2.579 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c2)no1 ZINC000065035072 569092512 /nfs/dbraw/zinc/09/25/12/569092512.db2.gz IEFJVDAGHRCXCY-UHFFFAOYSA-N 0 0 438.575 2.910 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1)N1CCCCC1 ZINC000036383984 569092732 /nfs/dbraw/zinc/09/27/32/569092732.db2.gz SYTPUZWDKWEXKC-UHFFFAOYSA-N 0 0 431.540 2.796 50 0 IFAARN CCOc1ccc(NC(=O)NC(=O)CN2CCN(c3ccccc3)CC2)cc1OCC ZINC000036384970 569092843 /nfs/dbraw/zinc/09/28/43/569092843.db2.gz MPQGWFNISQBRMR-UHFFFAOYSA-N 0 0 426.517 2.954 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1 ZINC000169752349 569093173 /nfs/dbraw/zinc/09/31/73/569093173.db2.gz BSSQQRMYWBMQFS-UHFFFAOYSA-N 0 0 434.427 2.636 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1cc(F)cc(F)c1 ZINC000169752472 569093259 /nfs/dbraw/zinc/09/32/59/569093259.db2.gz UTNCOJUVPYVEEK-UHFFFAOYSA-N 0 0 428.370 2.711 50 0 IFAARN CCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(OC)cc2)C3)CC1 ZINC000169758873 569093902 /nfs/dbraw/zinc/09/39/02/569093902.db2.gz UMRFDTRRUBVPRB-OAQYLSRUSA-N 0 0 440.544 2.932 50 0 IFAARN O=C(CN1C2=C(C(=O)OC2)[C@@H](c2ccccc2Cl)NC1=O)Nc1ccc2c(c1)OCO2 ZINC000169758053 569094265 /nfs/dbraw/zinc/09/42/65/569094265.db2.gz WSNYUTHXTLLGOO-LJQANCHMSA-N 0 0 441.827 2.585 50 0 IFAARN O=C(CN1C2=C(C(=O)OC2)[C@H](c2ccccc2Cl)NC1=O)NCCCc1ccccc1 ZINC000169758050 569094271 /nfs/dbraw/zinc/09/42/71/569094271.db2.gz OGSKVXBPAZCFFV-NRFANRHFSA-N 0 0 439.899 2.966 50 0 IFAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)NCCCc2ccccc2)C2=C1C(=O)OC2 ZINC000169758167 569094390 /nfs/dbraw/zinc/09/43/90/569094390.db2.gz CNTSTXLFNRIRHB-QHCPKHFHSA-N 0 0 449.507 2.712 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CCn3ccn4nc5c(c4c3=O)CCCC5)CC2)c1C ZINC000169760014 569094513 /nfs/dbraw/zinc/09/45/13/569094513.db2.gz VURWTYJVKZFICG-UHFFFAOYSA-N 0 0 433.556 2.731 50 0 IFAARN O=C(NCCc1ccccn1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 ZINC000169760268 569094530 /nfs/dbraw/zinc/09/45/30/569094530.db2.gz WOTNCLPPNGJLQF-UHFFFAOYSA-N 0 0 427.508 2.791 50 0 IFAARN CCOc1ccccc1CNC(=O)CC1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000065061358 569096426 /nfs/dbraw/zinc/09/64/26/569096426.db2.gz GSVSMZYWRGCDLP-UHFFFAOYSA-N 0 0 435.546 2.797 50 0 IFAARN COC(=O)C[C@@H]1CN=N[C@]1(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000006879002 569096501 /nfs/dbraw/zinc/09/65/01/569096501.db2.gz FFNWZUULGQZUMN-GCJKJVERSA-N 0 0 425.441 2.998 50 0 IFAARN COc1ccc(CNC(=O)c2csc(-c3ccnc(N4CCOCC4)c3)n2)c(OC)c1 ZINC000065062633 569097209 /nfs/dbraw/zinc/09/72/09/569097209.db2.gz HKQSQYZIOAXOGI-UHFFFAOYSA-N 0 0 440.525 2.989 50 0 IFAARN O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000036392018 569098156 /nfs/dbraw/zinc/09/81/56/569098156.db2.gz WDGAYMXZRVOJAE-SFTDATJTSA-N 0 0 438.528 2.530 50 0 IFAARN O=C(NC1CCN(C(=O)C2CC2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000036393445 569098415 /nfs/dbraw/zinc/09/84/15/569098415.db2.gz PLKRAQUXBPPHEY-UHFFFAOYSA-N 0 0 438.977 2.944 50 0 IFAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000036393020 569098467 /nfs/dbraw/zinc/09/84/67/569098467.db2.gz NYUNVHRCBMKYRO-XBESXDPPSA-N 0 0 427.545 2.846 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000036394679 569098521 /nfs/dbraw/zinc/09/85/21/569098521.db2.gz ZAMJRJFWPWJZTQ-QFIPXVFZSA-N 0 0 427.570 2.711 50 0 IFAARN CCCC1N=NC(=S)N1CC(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C)c1 ZINC000036393863 569098591 /nfs/dbraw/zinc/09/85/91/569098591.db2.gz POAKTCGAHYDJFO-UHFFFAOYSA-N 0 0 428.518 2.829 50 0 IFAARN COc1cc(OC)c(NC(=O)NCCn2nnc3cc(C(=O)N(C)C)ccc32)cc1Cl ZINC000065075543 569099597 /nfs/dbraw/zinc/09/95/97/569099597.db2.gz RWOBXJYGPISXSS-UHFFFAOYSA-N 0 0 446.895 2.625 50 0 IFAARN CCc1ccc(-n2c(CN3CCN(C(=O)NC[C@@H]4CCCO4)CC3)nc3cccnc32)cc1 ZINC000065075348 569099627 /nfs/dbraw/zinc/09/96/27/569099627.db2.gz BNTOYCJMKRLWGD-NRFANRHFSA-N 0 0 448.571 2.989 50 0 IFAARN CC(C)n1c2ccc(S(=O)(=O)N3CCN(C(=O)C4CCCCC4)CC3)cc2oc1=O ZINC000065075904 569099904 /nfs/dbraw/zinc/09/99/04/569099904.db2.gz INFXCKKRFXHZET-UHFFFAOYSA-N 0 0 435.546 2.589 50 0 IFAARN Cc1ccccc1-c1nc(C2CCN(C(=O)CNS(=O)(=O)c3ccccc3)CC2)no1 ZINC000065076757 569099920 /nfs/dbraw/zinc/09/99/20/569099920.db2.gz VHGJYAZKXHHPBW-UHFFFAOYSA-N 0 0 440.525 2.730 50 0 IFAARN COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc1 ZINC000065077830 569100725 /nfs/dbraw/zinc/10/07/25/569100725.db2.gz RAISJMSEOQADFL-CQSZACIVSA-N 0 0 448.566 2.998 50 0 IFAARN COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1 ZINC000065077956 569100753 /nfs/dbraw/zinc/10/07/53/569100753.db2.gz PDVXHTBKQTYSOS-AWEZNQCLSA-N 0 0 448.566 2.998 50 0 IFAARN CN(Cc1nnc2n1CCCCC2)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036398148 569101217 /nfs/dbraw/zinc/10/12/17/569101217.db2.gz ZHTMGKAKMTUGAO-UHFFFAOYSA-N 0 0 440.573 2.773 50 0 IFAARN CC(C)[C@@H](Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1)C(=O)NC(N)=O ZINC000036398781 569101496 /nfs/dbraw/zinc/10/14/96/569101496.db2.gz JJYZZVBOMDNFOP-IIAWOOMASA-N 0 0 434.566 2.713 50 0 IFAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000169772690 569101625 /nfs/dbraw/zinc/10/16/25/569101625.db2.gz YDUWVZUPNSWQIX-HXUWFJFHSA-N 0 0 440.931 2.515 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(N(C)C)cc4)ccn3n2)cc1 ZINC000169775872 569101934 /nfs/dbraw/zinc/10/19/34/569101934.db2.gz KTHMHQFRVMBNPR-UHFFFAOYSA-N 0 0 431.496 2.668 50 0 IFAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)[C@H](C)Oc4ccccc4)ccn3n2)c1 ZINC000169777073 569102317 /nfs/dbraw/zinc/10/23/17/569102317.db2.gz MJZVTIKMLWQWAY-KRWDZBQOSA-N 0 0 432.480 2.755 50 0 IFAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)COc4ccc(F)cc4)ccn3n2)c1 ZINC000169777070 569102324 /nfs/dbraw/zinc/10/23/24/569102324.db2.gz SBYUBDBYMCPNKW-UHFFFAOYSA-N 0 0 436.443 2.506 50 0 IFAARN O=C(COc1ccc(F)cc1)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778029 569102621 /nfs/dbraw/zinc/10/26/21/569102621.db2.gz RTESRQUJAQACGT-KRWDZBQOSA-N 0 0 434.431 2.987 50 0 IFAARN COc1ccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccccc3Cl)NC2=O)cc1 ZINC000169780812 569103157 /nfs/dbraw/zinc/10/31/57/569103157.db2.gz UOXCFBRFTTYCIZ-HXUWFJFHSA-N 0 0 441.871 2.542 50 0 IFAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)cc1 ZINC000065098790 569104227 /nfs/dbraw/zinc/10/42/27/569104227.db2.gz CKOVFHFECKBJFP-UHFFFAOYSA-N 0 0 432.527 2.821 50 0 IFAARN O=C(c1nnc(-c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)o1)N1CCCC1 ZINC000065098799 569104234 /nfs/dbraw/zinc/10/42/34/569104234.db2.gz OWKJCYOHWBDSHJ-UHFFFAOYSA-N 0 0 444.538 2.781 50 0 IFAARN COc1cccc(CNS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)c1 ZINC000065098833 569104329 /nfs/dbraw/zinc/10/43/29/569104329.db2.gz FHJLITHDSSIKMT-UHFFFAOYSA-N 0 0 448.526 2.521 50 0 IFAARN CCN1C(=O)COc2ccc(-c3noc(CNC(=O)Cc4ccc(Cl)cc4)n3)cc21 ZINC000065098281 569104709 /nfs/dbraw/zinc/10/47/09/569104709.db2.gz IXCYOEJEUQJPCH-UHFFFAOYSA-N 0 0 426.860 2.994 50 0 IFAARN COc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccc(C)cc4)c(=O)n3c2)cc1 ZINC000065100141 569104896 /nfs/dbraw/zinc/10/48/96/569104896.db2.gz IUGZPJHSEVQVQF-UHFFFAOYSA-N 0 0 431.452 2.704 50 0 IFAARN CCc1ccc(NC(=O)Cn2nc3ccc(C(=O)Nc4ccc(OC)cc4)cn3c2=O)cc1 ZINC000065100144 569104974 /nfs/dbraw/zinc/10/49/74/569104974.db2.gz VRPXTLLQUOKVTF-UHFFFAOYSA-N 0 0 445.479 2.958 50 0 IFAARN CCSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)N[C@H](C)CC ZINC000065100808 569105571 /nfs/dbraw/zinc/10/55/71/569105571.db2.gz OJPLFNZGYFTLHK-CYBMUJFWSA-N 0 0 432.571 2.944 50 0 IFAARN CCSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)N[C@@H](C)CC ZINC000065100809 569105577 /nfs/dbraw/zinc/10/55/77/569105577.db2.gz OJPLFNZGYFTLHK-ZDUSSCGKSA-N 0 0 432.571 2.944 50 0 IFAARN CCOC(=O)C1CCN(c2nc(=O)n(CC(=O)Nc3ccccc3)c3ccccc32)CC1 ZINC000065102016 569106022 /nfs/dbraw/zinc/10/60/22/569106022.db2.gz VHBSRVBNOGLUDP-UHFFFAOYSA-N 0 0 434.496 2.815 50 0 IFAARN O=C(c1noc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc21)N1CCCC1 ZINC000065115189 569106604 /nfs/dbraw/zinc/10/66/04/569106604.db2.gz GARKMMXWOIDUPB-UHFFFAOYSA-N 0 0 429.454 2.636 50 0 IFAARN CSc1ccc(CCNC(=O)c2nc(CCS(=O)(=O)c3ccc(F)cc3)no2)cc1 ZINC000065117586 569107646 /nfs/dbraw/zinc/10/76/46/569107646.db2.gz JAKXRCIFELRHBV-UHFFFAOYSA-N 0 0 449.529 2.920 50 0 IFAARN COc1ccc(OC)c(CNC(=O)c2nc(Cn3c(=O)oc4ccc(Cl)cc43)no2)c1 ZINC000065111853 569107781 /nfs/dbraw/zinc/10/77/81/569107781.db2.gz YRXPVVRVASAWBJ-UHFFFAOYSA-N 0 0 444.831 2.626 50 0 IFAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000169793935 569108282 /nfs/dbraw/zinc/10/82/82/569108282.db2.gz ONHBYYSYPHMWFV-CGTJXYLNSA-N 0 0 434.558 2.934 50 0 IFAARN CCOc1ccc([C@@H](C)NC(=O)c2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1 ZINC000065113987 569108598 /nfs/dbraw/zinc/10/85/98/569108598.db2.gz VAFMMKOOXXTWCV-CQSZACIVSA-N 0 0 444.513 2.877 50 0 IFAARN CC(C)c1nnc(-c2cccnc2N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)o1 ZINC000065117944 569108934 /nfs/dbraw/zinc/10/89/34/569108934.db2.gz LRRIBCSUPFRCKJ-IBGZPJMESA-N 0 0 435.484 2.744 50 0 IFAARN COc1ccc(NC(=O)CSc2ccc(N3CCC[C@H](C(=O)NC4CC4)C3)nn2)cc1 ZINC000065131546 569109544 /nfs/dbraw/zinc/10/95/44/569109544.db2.gz DYNUCRNKNVPQNM-HNNXBMFYSA-N 0 0 441.557 2.711 50 0 IFAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3ccc(OC)cc3)nn2)C1 ZINC000065132005 569109698 /nfs/dbraw/zinc/10/96/98/569109698.db2.gz GYCUIDGVAGLUJC-INIZCTEOSA-N 0 0 443.573 2.959 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3ccc(CN4CCN(C(C)C)C(=O)C4=O)cc3)CC2)c1 ZINC000065129908 569110167 /nfs/dbraw/zinc/11/01/67/569110167.db2.gz YLNSZNSODHDVRG-UHFFFAOYSA-N 0 0 448.567 2.537 50 0 IFAARN COc1ccc(CNC(=O)c2ccc(CN3CCN(C4CCCC4)C(=O)C3=O)cc2)cc1 ZINC000065130034 569110300 /nfs/dbraw/zinc/11/03/00/569110300.db2.gz AJXPARMQMALVTN-UHFFFAOYSA-N 0 0 435.524 2.739 50 0 IFAARN Cc1nn(Cc2ccc(C(=O)NCc3ccco3)cc2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000065138397 569110692 /nfs/dbraw/zinc/11/06/92/569110692.db2.gz RTGIJNHECRLVAB-UHFFFAOYSA-N 0 0 442.541 2.856 50 0 IFAARN Cc1nn(Cc2ccc(C(=O)NC3CC3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000065138509 569110715 /nfs/dbraw/zinc/11/07/15/569110715.db2.gz YYOLVJAAQVURRI-UHFFFAOYSA-N 0 0 430.574 2.861 50 0 IFAARN Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(C)c1 ZINC000036446960 569111250 /nfs/dbraw/zinc/11/12/50/569111250.db2.gz AADNYNIIPQNNAY-UHFFFAOYSA-N 0 0 427.570 2.737 50 0 IFAARN COc1ccccc1NC(=O)Cn1nc2c(Oc3cccc(Cl)c3)nccn2c1=O ZINC000065150870 569111586 /nfs/dbraw/zinc/11/15/86/569111586.db2.gz CKGXJIGWGITEKO-UHFFFAOYSA-N 0 0 425.832 2.984 50 0 IFAARN O=C(Cn1nc2c(Oc3ccc(Cl)cc3)nccn2c1=O)NCc1ccc(F)cc1 ZINC000065150908 569111597 /nfs/dbraw/zinc/11/15/97/569111597.db2.gz LVLVXURDBVSJQE-UHFFFAOYSA-N 0 0 427.823 2.792 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2nc(CNC(=O)C(C)C)cs2)C1 ZINC000065173374 569113286 /nfs/dbraw/zinc/11/32/86/569113286.db2.gz BKYYSRVHFUJNIB-CQSZACIVSA-N 0 0 426.564 2.588 50 0 IFAARN Cc1ccccc1CN1N=C(C(=O)N2CCOCC2)S(=O)(=O)c2cc(Cl)ccc21 ZINC000065183392 569113845 /nfs/dbraw/zinc/11/38/45/569113845.db2.gz INRMBOWKEBCHOG-UHFFFAOYSA-N 0 0 433.917 2.615 50 0 IFAARN Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C3=C2C(=O)OC3)c1 ZINC000065183413 569113846 /nfs/dbraw/zinc/11/38/46/569113846.db2.gz QSUKSYCYBRJGFH-JOCHJYFZSA-N 0 0 449.463 2.591 50 0 IFAARN CCOc1cc(=O)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)nn1-c1ccc(F)c(F)c1 ZINC000065198172 569114975 /nfs/dbraw/zinc/11/49/75/569114975.db2.gz HBTZNTWRNVGPHL-UHFFFAOYSA-N 0 0 449.435 2.565 50 0 IFAARN CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2C1 ZINC000065196110 569115537 /nfs/dbraw/zinc/11/55/37/569115537.db2.gz FGAKAYMAIVEOKJ-UHFFFAOYSA-N 0 0 433.599 2.780 50 0 IFAARN CCC(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(c4cccc(OC)c4)CC3)c2)nc1 ZINC000065196937 569115758 /nfs/dbraw/zinc/11/57/58/569115758.db2.gz BMNXBENWYRENAC-UHFFFAOYSA-N 0 0 434.500 2.587 50 0 IFAARN CCC(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c2)nc1 ZINC000065196932 569115782 /nfs/dbraw/zinc/11/57/82/569115782.db2.gz TUQWMLYHKXFLBN-UHFFFAOYSA-N 0 0 446.511 2.781 50 0 IFAARN COCc1cc2nn(CC(=O)Nc3ccc(F)c(F)c3)c(=O)n2c(-c2ccccc2)n1 ZINC000065196593 569115821 /nfs/dbraw/zinc/11/58/21/569115821.db2.gz NSLYAELMMCHHHB-UHFFFAOYSA-N 0 0 425.395 2.621 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)Nc4ccc(C)c(F)c4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197120 569115854 /nfs/dbraw/zinc/11/58/54/569115854.db2.gz VQVHOKLOEATVJZ-UHFFFAOYSA-N 0 0 434.427 2.793 50 0 IFAARN CCOc1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccc(F)cc2)cc1 ZINC000065197130 569115927 /nfs/dbraw/zinc/11/59/27/569115927.db2.gz KUDIHQSTWFGCIL-UHFFFAOYSA-N 0 0 434.427 2.875 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCc3c2cccc3C(=O)NCCc2ccccn2)cc1 ZINC000065210205 569116356 /nfs/dbraw/zinc/11/63/56/569116356.db2.gz FYTVYYNAGQBTBB-UHFFFAOYSA-N 0 0 437.521 2.814 50 0 IFAARN CCCN1CCN(C(=O)c2csc(N3CCN(c4cccc(OC)c4)CC3)n2)CC1 ZINC000065211606 569116699 /nfs/dbraw/zinc/11/66/99/569116699.db2.gz NOOUGIYSPIUSRN-UHFFFAOYSA-N 0 0 429.590 2.646 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N(C)Cc3ccco3)c2=O)cc1 ZINC000065212591 569116756 /nfs/dbraw/zinc/11/67/56/569116756.db2.gz KWPGMSXIWWICQH-UHFFFAOYSA-N 0 0 429.498 2.518 50 0 IFAARN Cc1ccsc1-c1nnc(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)o1 ZINC000065214509 569116882 /nfs/dbraw/zinc/11/68/82/569116882.db2.gz CCAYKFPTILPIDP-UHFFFAOYSA-N 0 0 426.498 2.722 50 0 IFAARN O=C(NCc1ccco1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000036543609 569117405 /nfs/dbraw/zinc/11/74/05/569117405.db2.gz HUIQEZPEAKRUCY-DNQXCXABSA-N 0 0 442.519 2.819 50 0 IFAARN O=C(c1ccc(C(F)(F)F)cc1)N1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H](C1)O2 ZINC000065225071 569117772 /nfs/dbraw/zinc/11/77/72/569117772.db2.gz GAWFQTGIWCMOPX-CALCHBBNSA-N 0 0 440.443 2.620 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1 ZINC000065226827 569118044 /nfs/dbraw/zinc/11/80/44/569118044.db2.gz WMFLUIOSLYHBQR-UHFFFAOYSA-N 0 0 439.560 2.633 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)CC2=O)cc1Cl ZINC000036569677 569118383 /nfs/dbraw/zinc/11/83/83/569118383.db2.gz UPWHPEORGVZSOG-OWCLPIDISA-N 0 0 441.915 2.509 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1 ZINC000036597337 569118794 /nfs/dbraw/zinc/11/87/94/569118794.db2.gz VADTYELJKXAGLQ-IRLDBZIGSA-N 0 0 434.496 2.860 50 0 IFAARN COc1ccc(NC(=O)C2CCN(c3cc(N4CCSCC4)ncn3)CC2)c(OC)c1 ZINC000065237067 569119656 /nfs/dbraw/zinc/11/96/56/569119656.db2.gz SWDCJWOPRPWZMZ-UHFFFAOYSA-N 0 0 443.573 2.902 50 0 IFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)cc(OC)c1)C(=O)OC ZINC000036593653 569121290 /nfs/dbraw/zinc/12/12/90/569121290.db2.gz QATGDIKBGJSNQD-VIZZQPHQSA-N 0 0 430.505 2.672 50 0 IFAARN CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)ncn1 ZINC000065245007 569121601 /nfs/dbraw/zinc/12/16/01/569121601.db2.gz MROWZBZKVIBWFA-SFHVURJKSA-N 0 0 446.596 2.984 50 0 IFAARN CCOc1ccc(CN2CCN(S(=O)(=O)c3c(C)nn(C(F)F)c3C)CC2)cc1 ZINC000036614796 569122292 /nfs/dbraw/zinc/12/22/92/569122292.db2.gz XULLWACLIAIQQB-UHFFFAOYSA-N 0 0 428.505 2.800 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000036611317 569123508 /nfs/dbraw/zinc/12/35/08/569123508.db2.gz QDERLMSMIDZJNJ-OAQYLSRUSA-N 0 0 431.533 2.745 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)c3cnn(C)c3n2)cc1 ZINC000036613442 569123863 /nfs/dbraw/zinc/12/38/63/569123863.db2.gz XXWSQGNVNGNQEX-UHFFFAOYSA-N 0 0 442.523 2.997 50 0 IFAARN O=C(NCCCn1cccn1)[C@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000065259872 569124823 /nfs/dbraw/zinc/12/48/23/569124823.db2.gz ANHRODOZYZFLTQ-QGZVFWFLSA-N 0 0 436.603 2.722 50 0 IFAARN COc1cc([C@H](CC(=O)NCc2c(C)n[nH]c2C)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731856 569126658 /nfs/dbraw/zinc/12/66/58/569126658.db2.gz MRPSRXXOWHFRLY-HNNXBMFYSA-N 0 0 427.457 2.546 50 0 IFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1csc(-c2cccnc2)n1 ZINC000524734192 569127602 /nfs/dbraw/zinc/12/76/02/569127602.db2.gz GSQSHMTXHIIFQI-LTMIRXACSA-N 0 0 434.521 2.974 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1nnc3ccc(OC(C)C)nn31)CC2 ZINC000524733655 569127868 /nfs/dbraw/zinc/12/78/68/569127868.db2.gz AMDULWLXOWAOSH-INIZCTEOSA-N 0 0 425.489 2.665 50 0 IFAARN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000524734836 569127893 /nfs/dbraw/zinc/12/78/93/569127893.db2.gz QWUOJXGRCACRTL-AZUAARDMSA-N 0 0 431.496 2.768 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](NC(=O)CCN1C(=O)C[C@](C)(c3ccccc3)C1=O)CC2 ZINC000524733829 569128002 /nfs/dbraw/zinc/12/80/02/569128002.db2.gz STLLMGUWLRXQDC-UQBPGWFLSA-N 0 0 436.508 2.914 50 0 IFAARN Cc1sc(-n2cnnn2)c(C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)c1C ZINC000524733838 569128059 /nfs/dbraw/zinc/12/80/59/569128059.db2.gz ULBVXQBZUCGZKN-UHFFFAOYSA-N 0 0 432.531 2.523 50 0 IFAARN CCCNc1cc(N2CCC(CCC(=O)N3CCN(C(=O)OCC)CC3)CC2)ncn1 ZINC000065274216 569128438 /nfs/dbraw/zinc/12/84/38/569128438.db2.gz ZQUCEARKEXLXPY-UHFFFAOYSA-N 0 0 432.569 2.596 50 0 IFAARN CCCc1nc2cccnc2n1[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1 ZINC000065271736 569128614 /nfs/dbraw/zinc/12/86/14/569128614.db2.gz LQXOEZUVIOMFEI-MRXNPFEDSA-N 0 0 439.541 2.538 50 0 IFAARN C=C1C(N2CCC(NS(=O)(=O)CCC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065271894 569128744 /nfs/dbraw/zinc/12/87/44/569128744.db2.gz HMLKHJWTPVVPQF-UHFFFAOYSA-N 0 0 439.603 2.570 50 0 IFAARN COC(=O)c1cccc(NC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c1 ZINC000065272817 569129203 /nfs/dbraw/zinc/12/92/03/569129203.db2.gz ARUBHUMMAHIUJZ-AWEZNQCLSA-N 0 0 428.510 2.751 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)cc1OC ZINC000065272812 569129206 /nfs/dbraw/zinc/12/92/06/569129206.db2.gz ALLMWLNZYHXOTR-MRXNPFEDSA-N 0 0 444.553 2.659 50 0 IFAARN CCCn1cc(CNC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c(C)n1 ZINC000065272844 569129251 /nfs/dbraw/zinc/12/92/51/569129251.db2.gz XVTUJVMWLYBZJF-MRXNPFEDSA-N 0 0 430.574 2.557 50 0 IFAARN CCOc1ccccc1CNC(=O)[C@@H]1CCc2nc(N3CCN(C(C)=O)CC3)sc2C1 ZINC000065273432 569129511 /nfs/dbraw/zinc/12/95/11/569129511.db2.gz QRGIINZSSSMDFR-QGZVFWFLSA-N 0 0 442.585 2.632 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2cc(F)ccc2F)CC3)CC1 ZINC000065273429 569129513 /nfs/dbraw/zinc/12/95/13/569129513.db2.gz WYSRVRRTFSAAPQ-AWEZNQCLSA-N 0 0 434.512 2.511 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2cccc(OC)c2)CC3)CC1 ZINC000065273456 569129662 /nfs/dbraw/zinc/12/96/62/569129662.db2.gz VCWISIWULVZAEO-QGZVFWFLSA-N 0 0 442.585 2.632 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2cccc(F)c2)CC3)CC1 ZINC000065273537 569129765 /nfs/dbraw/zinc/12/97/65/569129765.db2.gz XTFCXUGWBFDZGU-INIZCTEOSA-N 0 0 430.549 2.762 50 0 IFAARN Cc1ccc(-n2ncc3c2nc(N2CCN(c4ccccc4F)CC2)nc3NCCO)cc1 ZINC000036656917 569130242 /nfs/dbraw/zinc/13/02/42/569130242.db2.gz NJCRPUJJTGZXCI-UHFFFAOYSA-N 0 0 447.518 2.994 50 0 IFAARN CC[C@@]1(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCN(C(=O)C(C)C)C1 ZINC000065292022 569130541 /nfs/dbraw/zinc/13/05/41/569130541.db2.gz KSJQYUVOTIRUSZ-GOSISDBHSA-N 0 0 434.027 2.745 50 0 IFAARN COc1ccc(CN2CCc3oc(C)c(C(=O)N4CCN(c5ncccn5)CC4)c3C2)cc1 ZINC000065289722 569130694 /nfs/dbraw/zinc/13/06/94/569130694.db2.gz HGQBQIMLKUROCC-UHFFFAOYSA-N 0 0 447.539 2.907 50 0 IFAARN CCn1c2cnccc2nc(N2CCN(C(=O)c3cccc(OC(F)(F)F)c3)CC2)c1=O ZINC000065292729 569130750 /nfs/dbraw/zinc/13/07/50/569130750.db2.gz DMZIWWYCDPGZLY-UHFFFAOYSA-N 0 0 447.417 2.672 50 0 IFAARN COCCn1c2cnccc2nc1[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000065293015 569130816 /nfs/dbraw/zinc/13/08/16/569130816.db2.gz DDTWJBZABYXWNH-SFHVURJKSA-N 0 0 426.542 2.745 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3nc4ccncc4n(CC(C)C)c3=O)CC2)cc1 ZINC000065292841 569130883 /nfs/dbraw/zinc/13/08/83/569130883.db2.gz HDNAHBBOKPAYBT-UHFFFAOYSA-N 0 0 436.516 2.810 50 0 IFAARN COc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)c5cnccn5)CC4)nc32)cc1 ZINC000065296829 569131615 /nfs/dbraw/zinc/13/16/15/569131615.db2.gz OXDDWUKDTXMPAO-UHFFFAOYSA-N 0 0 435.513 2.551 50 0 IFAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O ZINC000036676929 569132408 /nfs/dbraw/zinc/13/24/08/569132408.db2.gz VFIZVVKLMJYHSO-AREMUKBSSA-N 0 0 442.519 2.956 50 0 IFAARN CC(=O)Nc1nsc(N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)n1 ZINC000065307669 569132510 /nfs/dbraw/zinc/13/25/10/569132510.db2.gz SOKSMIQZKYCVKK-UHFFFAOYSA-N 0 0 448.980 2.715 50 0 IFAARN Cc1ccc(Nc2nc(C)cc3nn(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)n32)cc1 ZINC000065307807 569132516 /nfs/dbraw/zinc/13/25/16/569132516.db2.gz FUHRQCSQSMXAEI-UHFFFAOYSA-N 0 0 446.467 2.661 50 0 IFAARN Cc1ccc(Nc2nc(C)cc3nn(CC(=O)Nc4ccc(N(C)C)cc4)c(=O)n32)cc1 ZINC000065307805 569132537 /nfs/dbraw/zinc/13/25/37/569132537.db2.gz UWKMYYCKYQHWTA-UHFFFAOYSA-N 0 0 431.500 2.956 50 0 IFAARN Cc1cc(C)cc(Nc2cc(C)n3c(nn(Cc4cc(=O)n5ccccc5n4)c3=O)n2)c1 ZINC000065310772 569132622 /nfs/dbraw/zinc/13/26/22/569132622.db2.gz VZYWNZNMBVLBIH-UHFFFAOYSA-N 0 0 427.468 2.616 50 0 IFAARN CC(C)Cn1c2nn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)n2c2ccsc2c1=O ZINC000065305264 569133027 /nfs/dbraw/zinc/13/30/27/569133027.db2.gz ZHEMGIDUEPVZER-UHFFFAOYSA-N 0 0 449.895 2.960 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncccc3Br)C2)cc1 ZINC000238891317 569137788 /nfs/dbraw/zinc/13/77/88/569137788.db2.gz QQIKCDFPCMJBQQ-CQSZACIVSA-N 0 0 440.319 2.645 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccc(F)c(F)c3)c(=O)n2c2ccsc2c1=O ZINC000065305337 569133165 /nfs/dbraw/zinc/13/31/65/569133165.db2.gz RPCCJXSWAOUDAB-UHFFFAOYSA-N 0 0 433.440 2.589 50 0 IFAARN O=C(Cn1nc2n(c3ccsc3c(=O)n2Cc2cccs2)c1=O)Nc1ccccc1 ZINC000065305398 569133167 /nfs/dbraw/zinc/13/31/67/569133167.db2.gz FNRODXMIBDZZET-UHFFFAOYSA-N 0 0 437.506 2.621 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3cc(F)ccc3F)c(=O)n2c2ccsc2c1=O ZINC000065305331 569133208 /nfs/dbraw/zinc/13/32/08/569133208.db2.gz RZAGWAOQSQOKSY-UHFFFAOYSA-N 0 0 433.440 2.589 50 0 IFAARN Cc1cccc(C)c1NC(=O)Cn1nc2n(c3ccsc3c(=O)n2Cc2ccco2)c1=O ZINC000065305540 569133239 /nfs/dbraw/zinc/13/32/39/569133239.db2.gz UNAWBWXMEDKSGI-UHFFFAOYSA-N 0 0 449.492 2.769 50 0 IFAARN CCn1c(=O)n(Cc2ncc(C)c(OC)c2C)c(=O)c2cnc(-c3ccc(OC)cc3)nc21 ZINC000065305610 569133266 /nfs/dbraw/zinc/13/32/66/569133266.db2.gz SUEOQGHZDMAMFT-UHFFFAOYSA-N 0 0 447.495 2.717 50 0 IFAARN CN(Cc1ccccc1)C(=O)c1ccc(CN2CCN(Cc3ccccn3)C(=O)C2=O)cc1 ZINC000065306538 569133357 /nfs/dbraw/zinc/13/33/57/569133357.db2.gz USHVYZWYAAVVDX-UHFFFAOYSA-N 0 0 442.519 2.725 50 0 IFAARN CCCc1cc(N2CCN(C(=O)Cc3ccc(OC)cc3Cl)CC2)nc2nnc(C)n21 ZINC000065312104 569133675 /nfs/dbraw/zinc/13/36/75/569133675.db2.gz RFZREEDGAHGTOA-UHFFFAOYSA-N 0 0 442.951 2.939 50 0 IFAARN CN(CCc1ccncc1)C(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311464 569133793 /nfs/dbraw/zinc/13/37/93/569133793.db2.gz SENZDFXTUJRHCA-UHFFFAOYSA-N 0 0 431.540 2.604 50 0 IFAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)NCc3ccc(C)cc3)nn2)CC1 ZINC000065315274 569133810 /nfs/dbraw/zinc/13/38/10/569133810.db2.gz GPGKXAHBPPUNKY-UHFFFAOYSA-N 0 0 441.601 2.936 50 0 IFAARN C[C@H](NC(=O)CSc1nnc(CCC(N)=O)n1Cc1ccco1)c1ccc(F)cc1F ZINC000036692647 569133864 /nfs/dbraw/zinc/13/38/64/569133864.db2.gz VWUPFUPEVTWLPC-LBPRGKRZSA-N 0 0 449.483 2.585 50 0 IFAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)N(C)c3ccccc3)nn2)CC1 ZINC000065315289 569133900 /nfs/dbraw/zinc/13/39/00/569133900.db2.gz WSJKAYFSZJHEQV-UHFFFAOYSA-N 0 0 427.574 2.974 50 0 IFAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)NCc3cccs3)nn2)CC1 ZINC000065315316 569133976 /nfs/dbraw/zinc/13/39/76/569133976.db2.gz NGZKCEQEFAPNOY-UHFFFAOYSA-N 0 0 433.603 2.689 50 0 IFAARN O=C(NCc1ccccc1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000065319166 569134668 /nfs/dbraw/zinc/13/46/68/569134668.db2.gz ZEYZPABTXRNMOP-UHFFFAOYSA-N 0 0 426.498 2.841 50 0 IFAARN Cn1c(=O)c2sc(N3CCCCC3)nc2nc1SCC(=O)NCc1ccccc1 ZINC000065319485 569134921 /nfs/dbraw/zinc/13/49/21/569134921.db2.gz HNMNQRBEYMVMMW-UHFFFAOYSA-N 0 0 429.571 2.789 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)NC2CCCC2)C1 ZINC000065314801 569135573 /nfs/dbraw/zinc/13/55/73/569135573.db2.gz DTQRJUGJHKHIIR-INIZCTEOSA-N 0 0 447.601 2.790 50 0 IFAARN CC[C@H]1CCCCN1C(=O)CN1c2ccc(S(=O)(=O)N3CCCC3)cc2C(C)(C)C1=O ZINC000065314769 569135593 /nfs/dbraw/zinc/13/55/93/569135593.db2.gz JKFSVBVJJUGYMS-KRWDZBQOSA-N 0 0 447.601 2.886 50 0 IFAARN Cc1cc(NC(=O)CSc2cc(N3CCN(c4ccccc4F)CC3)ncn2)no1 ZINC000036708510 569135933 /nfs/dbraw/zinc/13/59/33/569135933.db2.gz RJIYVNOARXQEKO-UHFFFAOYSA-N 0 0 428.493 2.970 50 0 IFAARN O=C(NCCOc1ccc(F)cc1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000036708453 569135941 /nfs/dbraw/zinc/13/59/41/569135941.db2.gz BQFVTASZGHWNQL-OAHLLOKOSA-N 0 0 449.529 2.919 50 0 IFAARN COc1ccccc1NC(=O)CSc1nc2nc(N3CCCC3)sc2c(=O)n1C ZINC000065319814 569135952 /nfs/dbraw/zinc/13/59/52/569135952.db2.gz XCOUKPDHCZUCGP-UHFFFAOYSA-N 0 0 431.543 2.730 50 0 IFAARN Cc1ccc(CNC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C)cc1 ZINC000065319824 569136024 /nfs/dbraw/zinc/13/60/24/569136024.db2.gz YWYLAVABMITUBU-UHFFFAOYSA-N 0 0 429.571 2.707 50 0 IFAARN CC(=O)N1CCN(Cc2nc3cc(NC(=O)COc4ccccc4C)ccc3n2C)CC1 ZINC000065322170 569136623 /nfs/dbraw/zinc/13/66/23/569136623.db2.gz WNUZNKIAMQZTIC-UHFFFAOYSA-N 0 0 435.528 2.563 50 0 IFAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000238856094 569137525 /nfs/dbraw/zinc/13/75/25/569137525.db2.gz JYRXNHOLJKCRIB-UHFFFAOYSA-N 0 0 425.942 2.619 50 0 IFAARN Cc1noc(-c2ccn3c(c2)nnc3CNC(=O)CCc2nc(-c3ccccc3C)no2)n1 ZINC000238874317 569137593 /nfs/dbraw/zinc/13/75/93/569137593.db2.gz NQYWSUYSLZWLNQ-UHFFFAOYSA-N 0 0 444.455 2.695 50 0 IFAARN O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@@H](Oc2ccc(Br)cn2)C1 ZINC000238874618 569137642 /nfs/dbraw/zinc/13/76/42/569137642.db2.gz NSVZDVONGLADOT-GOSISDBHSA-N 0 0 432.318 2.974 50 0 IFAARN CCCCn1c2ncn(CCC(C)C)c2c(=O)n(CC(=O)N[C@H]2CCCC[C@H]2C)c1=O ZINC000007212892 569138123 /nfs/dbraw/zinc/13/81/23/569138123.db2.gz OIBCSXZHPQHEKO-MSOLQXFVSA-N 0 0 431.581 2.901 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 ZINC000238941877 569138188 /nfs/dbraw/zinc/13/81/88/569138188.db2.gz WBGMOOWXJRXTLR-IBGZPJMESA-N 0 0 429.565 2.840 50 0 IFAARN COC(=O)c1cc(Cl)c(NC(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1OC ZINC000065578663 569139733 /nfs/dbraw/zinc/13/97/33/569139733.db2.gz HQPFLXPIQLHRPJ-UHFFFAOYSA-N 0 0 446.891 2.957 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCc2nc(-c3ccncc3)no2)cc1 ZINC000065577572 569139865 /nfs/dbraw/zinc/13/98/65/569139865.db2.gz YANSQVFZLJZCCJ-QGZVFWFLSA-N 0 0 439.497 2.613 50 0 IFAARN C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)N(C)C ZINC000037115299 569140070 /nfs/dbraw/zinc/14/00/70/569140070.db2.gz IUSYRKCHBSKKJD-ZDUSSCGKSA-N 0 0 436.917 2.725 50 0 IFAARN COC(=O)CN(CC(=O)OC)C(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1 ZINC000065610877 569140193 /nfs/dbraw/zinc/14/01/93/569140193.db2.gz AWMBHTPWLZMZIF-UHFFFAOYSA-N 0 0 438.480 2.951 50 0 IFAARN C[C@@H](c1nnnn1-c1ccccc1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000170593424 569141306 /nfs/dbraw/zinc/14/13/06/569141306.db2.gz XFNQGVXODBOCNI-REWPJTCUSA-N 0 0 445.571 2.532 50 0 IFAARN COC(=O)[C@H](c1c(F)cccc1Cl)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000170594150 569141394 /nfs/dbraw/zinc/14/13/94/569141394.db2.gz RTXKBEWYXOBFMZ-KXBFYZLASA-N 0 0 425.932 2.712 50 0 IFAARN COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000170594153 569141427 /nfs/dbraw/zinc/14/14/27/569141427.db2.gz RTXKBEWYXOBFMZ-DNVCBOLYSA-N 0 0 425.932 2.712 50 0 IFAARN CCOC(=O)[C@H](NCC(=O)Nc1cc(C(=O)OC)ccc1C)c1ccc(OC)c(F)c1 ZINC000170599684 569142602 /nfs/dbraw/zinc/14/26/02/569142602.db2.gz DAMAIXFJXVQWND-HXUWFJFHSA-N 0 0 432.448 2.762 50 0 IFAARN CO[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC[C@H]1C ZINC000170603471 569143548 /nfs/dbraw/zinc/14/35/48/569143548.db2.gz UXJOUDXQJWVKLV-RHSMWYFYSA-N 0 0 448.507 2.990 50 0 IFAARN C[C@](O)(CNc1cc(NC[C@@](C)(O)c2ccsc2)nc2ncnn21)c1ccsc1 ZINC000170603435 569143603 /nfs/dbraw/zinc/14/36/03/569143603.db2.gz DLOIWHRBXODWAC-MOPGFXCFSA-N 0 0 430.559 2.887 50 0 IFAARN C[C@H]1CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)C[C@H](CO)O1 ZINC000170605403 569143699 /nfs/dbraw/zinc/14/36/99/569143699.db2.gz KITKWQVHDWWQRL-GXSJLCMTSA-N 0 0 438.328 2.527 50 0 IFAARN C[C@H]1CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)C[C@@H](CO)O1 ZINC000170605405 569143762 /nfs/dbraw/zinc/14/37/62/569143762.db2.gz KITKWQVHDWWQRL-ONGXEEELSA-N 0 0 438.328 2.527 50 0 IFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000170611528 569145268 /nfs/dbraw/zinc/14/52/68/569145268.db2.gz GJQWOFWQNXMFMM-GGPKGHCWSA-N 0 0 427.545 2.692 50 0 IFAARN Cc1ccc(-n2c(Cl)c(CN3CCC(C(=O)N4CCOCC4)CC3)nc2N(C)C)cc1 ZINC000170616030 569146885 /nfs/dbraw/zinc/14/68/85/569146885.db2.gz DPNFIJBGVZMWGX-UHFFFAOYSA-N 0 0 445.995 2.971 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ncncc1Br ZINC000170618627 569147129 /nfs/dbraw/zinc/14/71/29/569147129.db2.gz MIXYHIQKJTXGDS-UHFFFAOYSA-N 0 0 428.084 2.679 50 0 IFAARN Cc1cccnc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000170621601 569147652 /nfs/dbraw/zinc/14/76/52/569147652.db2.gz DTKMXWPBZGFTFA-UHFFFAOYSA-N 0 0 444.340 2.648 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OS(=O)(=O)c1ccc(C)cc1 ZINC000009761588 569149126 /nfs/dbraw/zinc/14/91/26/569149126.db2.gz TUNQLRAIZGUSOE-UHFFFAOYSA-N 0 0 428.466 2.794 50 0 IFAARN O=C(Cc1ccc2c(c1)OCCO2)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000009870217 569149378 /nfs/dbraw/zinc/14/93/78/569149378.db2.gz ANNMBFSIJGVMLN-UHFFFAOYSA-N 0 0 443.459 2.527 50 0 IFAARN Cc1sc2nc(C)nc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)c2c1C ZINC000009882550 569149677 /nfs/dbraw/zinc/14/96/77/569149677.db2.gz IJNVCMLLCXHKOD-UHFFFAOYSA-N 0 0 432.571 2.897 50 0 IFAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000009882817 569149792 /nfs/dbraw/zinc/14/97/92/569149792.db2.gz MXJFENNHNKQKNY-UHFFFAOYSA-N 0 0 448.401 2.851 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1ccccc1F ZINC000009883471 569150000 /nfs/dbraw/zinc/15/00/00/569150000.db2.gz RHDZGTKZRRUEGU-JTQLQIEISA-N 0 0 449.287 2.981 50 0 IFAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc(N)n[nH]2)cc1OC ZINC000009908777 569150557 /nfs/dbraw/zinc/15/05/57/569150557.db2.gz CEJIDNAFNJDKEJ-ZDUSSCGKSA-N 0 0 444.542 2.936 50 0 IFAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000071283096 569150677 /nfs/dbraw/zinc/15/06/77/569150677.db2.gz KIUVYIQACJUHDL-OCCSQVGLSA-N 0 0 435.502 2.701 50 0 IFAARN COc1cc(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000071284813 569150793 /nfs/dbraw/zinc/15/07/93/569150793.db2.gz SDMPYQOAYSMEPO-UHFFFAOYSA-N 0 0 432.908 2.828 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(CN2CCCC2=O)cc1 ZINC000010025204 569151504 /nfs/dbraw/zinc/15/15/04/569151504.db2.gz AGHZUCJOIHAHNF-UHFFFAOYSA-N 0 0 427.526 2.846 50 0 IFAARN O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000010026954 569151688 /nfs/dbraw/zinc/15/16/88/569151688.db2.gz MSQIWZKIFDKTID-LLVKDONJSA-N 0 0 438.485 2.985 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000010059994 569152344 /nfs/dbraw/zinc/15/23/44/569152344.db2.gz VBTGZWHKGKCUEM-NSHDSACASA-N 0 0 428.894 2.671 50 0 IFAARN CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC000010220703 569153059 /nfs/dbraw/zinc/15/30/59/569153059.db2.gz ARAZJIBSERPCHH-UHFFFAOYSA-N 0 0 428.426 2.996 50 0 IFAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000010216326 569153145 /nfs/dbraw/zinc/15/31/45/569153145.db2.gz GGBDLXPWNHYNRL-UHFFFAOYSA-N 0 0 438.431 2.690 50 0 IFAARN Cc1cc(=O)c(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)nn1-c1ccccc1F ZINC000010219420 569153728 /nfs/dbraw/zinc/15/37/28/569153728.db2.gz POZJBAIDUNWLAN-UHFFFAOYSA-N 0 0 440.519 2.935 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1ncccn1 ZINC000010254912 569153846 /nfs/dbraw/zinc/15/38/46/569153846.db2.gz OPOGOXDXNCYMLS-UHFFFAOYSA-N 0 0 426.498 2.977 50 0 IFAARN Cc1ccc(-c2nc(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)n[nH]2)cc1 ZINC000010219821 569153861 /nfs/dbraw/zinc/15/38/61/569153861.db2.gz RBICHXKGKNETDU-QGZVFWFLSA-N 0 0 434.587 2.831 50 0 IFAARN O=C(Oc1cccnc1Br)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000071824324 569154622 /nfs/dbraw/zinc/15/46/22/569154622.db2.gz OXTWXYVZIPUECI-ZDUSSCGKSA-N 0 0 429.267 2.742 50 0 IFAARN O=S(=O)(c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1)N1CCc2ccccc2C1 ZINC000013323881 569155027 /nfs/dbraw/zinc/15/50/27/569155027.db2.gz GBSLNZRHURAEPT-IBGZPJMESA-N 0 0 431.583 2.899 50 0 IFAARN CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3Cl)C2)CC1 ZINC000008811657 569155274 /nfs/dbraw/zinc/15/52/74/569155274.db2.gz NLNFAENMLRBINW-MRXNPFEDSA-N 0 0 431.961 2.784 50 0 IFAARN CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(F)cc3Cl)C2)CC1 ZINC000008811654 569155283 /nfs/dbraw/zinc/15/52/83/569155283.db2.gz NLNFAENMLRBINW-INIZCTEOSA-N 0 0 431.961 2.784 50 0 IFAARN COc1ccccc1-c1nnc2ccc(OCCNC(=O)c3c(F)cccc3F)nn21 ZINC000013525686 569155529 /nfs/dbraw/zinc/15/55/29/569155529.db2.gz LVRQOFLKOJEFQG-UHFFFAOYSA-N 0 0 425.395 2.887 50 0 IFAARN COc1ccccc1-c1nnc2ccc(OCCNC(=O)c3ccc(F)cc3F)nn21 ZINC000013525907 569155570 /nfs/dbraw/zinc/15/55/70/569155570.db2.gz GUKSYRFIPSLIKT-UHFFFAOYSA-N 0 0 425.395 2.887 50 0 IFAARN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccc(Cl)cn1 ZINC000013572474 569155674 /nfs/dbraw/zinc/15/56/74/569155674.db2.gz NGHZHDKFNAPOEH-OLZOCXBDSA-N 0 0 434.974 2.973 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@@H]2CCCO2)CC3)cc1 ZINC000013696653 569156716 /nfs/dbraw/zinc/15/67/16/569156716.db2.gz OHCDCJQOLIPPFJ-FQEVSTJZSA-N 0 0 429.498 2.514 50 0 IFAARN CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc2ccccc2c1 ZINC000250763598 569157480 /nfs/dbraw/zinc/15/74/80/569157480.db2.gz XCMZMJFBJIDKSB-WFGFEZODSA-N 0 0 435.476 2.923 50 0 IFAARN O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCN(c2ccccn2)CC1 ZINC000014063197 569157622 /nfs/dbraw/zinc/15/76/22/569157622.db2.gz PXMUCCVVWKZKBK-UHFFFAOYSA-N 0 0 440.500 2.984 50 0 IFAARN CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc(Br)ccc1Br ZINC000014166445 569157970 /nfs/dbraw/zinc/15/79/70/569157970.db2.gz CQPLWHWPOJAMNM-UHFFFAOYSA-N 0 0 442.173 2.701 50 0 IFAARN CN(CC(=O)Nc1cccc(N2CCCC2=O)c1)S(=O)(=O)c1ccc(Cl)s1 ZINC000014196931 569158094 /nfs/dbraw/zinc/15/80/94/569158094.db2.gz MHAZZSSLIPGUBJ-UHFFFAOYSA-N 0 0 427.935 2.788 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000014244096 569158222 /nfs/dbraw/zinc/15/82/22/569158222.db2.gz IPYAIPAPYFYQCD-UHFFFAOYSA-N 0 0 444.340 2.921 50 0 IFAARN COc1ccc(-c2nc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)cs2)cc1 ZINC000014363671 569158839 /nfs/dbraw/zinc/15/88/39/569158839.db2.gz SIHNNYITEXNVLQ-UHFFFAOYSA-N 0 0 431.539 2.999 50 0 IFAARN CN(CC(=O)Nc1ccccc1I)S(=O)(=O)c1ccc(F)cc1 ZINC000014429565 569159094 /nfs/dbraw/zinc/15/90/94/569159094.db2.gz BDULNLAAWMQHSM-UHFFFAOYSA-N 0 0 448.257 2.690 50 0 IFAARN O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1cccc(C2SCCCS2)c1 ZINC000014525055 569159276 /nfs/dbraw/zinc/15/92/76/569159276.db2.gz QVBKEAGTHCVHEH-UHFFFAOYSA-N 0 0 442.360 2.807 50 0 IFAARN CC(C)(Oc1ccc(F)cc1)C(=O)OCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000014570309 569159362 /nfs/dbraw/zinc/15/93/62/569159362.db2.gz XOSIQXQUOHFLGX-UHFFFAOYSA-N 0 0 430.476 2.997 50 0 IFAARN COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000089618647 569160018 /nfs/dbraw/zinc/16/00/18/569160018.db2.gz OBAGALHDWUJCJA-UHFFFAOYSA-N 0 0 431.558 2.565 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)cc1 ZINC000089665780 569160937 /nfs/dbraw/zinc/16/09/37/569160937.db2.gz ACAXOXGFJXQKKD-UHFFFAOYSA-N 0 0 428.510 2.617 50 0 IFAARN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000089669144 569161070 /nfs/dbraw/zinc/16/10/70/569161070.db2.gz HYLUSFAUFBQDJC-PXDATVDWSA-N 0 0 435.524 2.778 50 0 IFAARN NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC000089768277 569162499 /nfs/dbraw/zinc/16/24/99/569162499.db2.gz JUYIEPNBQSSMCH-GOEBONIOSA-N 0 0 441.981 2.679 50 0 IFAARN NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC000089768279 569162562 /nfs/dbraw/zinc/16/25/62/569162562.db2.gz JUYIEPNBQSSMCH-GDBMZVCRSA-N 0 0 441.981 2.679 50 0 IFAARN NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC000089768280 569162563 /nfs/dbraw/zinc/16/25/63/569162563.db2.gz JUYIEPNBQSSMCH-ZBFHGGJFSA-N 0 0 441.981 2.679 50 0 IFAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1 ZINC000016839956 569162997 /nfs/dbraw/zinc/16/29/97/569162997.db2.gz WALPODGZIPEMOJ-UHFFFAOYSA-N 0 0 443.503 2.506 50 0 IFAARN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(CCc3ccccc3)CC2)c1 ZINC000016839099 569163051 /nfs/dbraw/zinc/16/30/51/569163051.db2.gz NACPUFPNMKCLKC-UHFFFAOYSA-N 0 0 441.535 2.676 50 0 IFAARN Cc1ccccc1CN1CCCN(CC(=O)N[C@@H](C)CCc2ccccc2)S1(=O)=O ZINC000016840398 569163154 /nfs/dbraw/zinc/16/31/54/569163154.db2.gz KDWCADXAPMWEEF-FQEVSTJZSA-N 0 0 429.586 2.885 50 0 IFAARN Nc1nc(SCC(=O)Nc2ccc(F)cc2F)ncc1S(=O)(=O)c1cccs1 ZINC000016842479 569163438 /nfs/dbraw/zinc/16/34/38/569163438.db2.gz KLJSCVBKRGKFHL-UHFFFAOYSA-N 0 0 442.494 2.962 50 0 IFAARN Nc1nc(SCC(=O)Nc2cc(F)ccc2F)ncc1S(=O)(=O)c1cccs1 ZINC000016842485 569163456 /nfs/dbraw/zinc/16/34/56/569163456.db2.gz AWCLVTDEWJCUJO-UHFFFAOYSA-N 0 0 442.494 2.962 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)cc1OC ZINC000016843619 569163664 /nfs/dbraw/zinc/16/36/64/569163664.db2.gz DWKADEHAZIAVLN-UHFFFAOYSA-N 0 0 443.529 2.972 50 0 IFAARN Cc1ccc(CN2C(=O)NC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000016847637 569164134 /nfs/dbraw/zinc/16/41/34/569164134.db2.gz NOANORYSORAQFS-UHFFFAOYSA-N 0 0 447.944 2.924 50 0 IFAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000016850891 569164851 /nfs/dbraw/zinc/16/48/51/569164851.db2.gz CTAWWZAEJGKBFY-GOSISDBHSA-N 0 0 428.558 2.974 50 0 IFAARN O=C(OCc1nc(-c2ccsc2)no1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016861344 569165118 /nfs/dbraw/zinc/16/51/18/569165118.db2.gz XFTOJQSLZSXKKD-UHFFFAOYSA-N 0 0 433.511 2.942 50 0 IFAARN COc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1 ZINC000016954034 569167299 /nfs/dbraw/zinc/16/72/99/569167299.db2.gz SXCKQIQTXCRZLD-UHFFFAOYSA-N 0 0 427.511 2.825 50 0 IFAARN COc1ccc(N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000016953803 569167327 /nfs/dbraw/zinc/16/73/27/569167327.db2.gz MEPVHHRFAYPHTR-MRXNPFEDSA-N 0 0 433.482 2.679 50 0 IFAARN CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)c2ccc3nccn3c2)CC1 ZINC000089929984 569167894 /nfs/dbraw/zinc/16/78/94/569167894.db2.gz DYGJFYLAKKOYJL-UHFFFAOYSA-N 0 0 426.542 2.826 50 0 IFAARN COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccccc4)n3n2)cc1OC ZINC000016960117 569168120 /nfs/dbraw/zinc/16/81/20/569168120.db2.gz XDWNDJKKHGVYDG-UHFFFAOYSA-N 0 0 444.538 2.996 50 0 IFAARN CCC(=O)NCc1cc(S(=O)(=O)N(CC)C[C@H]2COc3ccccc3O2)ccc1OC ZINC000089941764 569168349 /nfs/dbraw/zinc/16/83/49/569168349.db2.gz MNZBZUVJEOAJNZ-KRWDZBQOSA-N 0 0 448.541 2.572 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000016974974 569168621 /nfs/dbraw/zinc/16/86/21/569168621.db2.gz LCNWVRUCVNQWNA-UHFFFAOYSA-N 0 0 445.360 2.962 50 0 IFAARN CCCC[C@H](C(=O)NCc1cccc(NC(=O)c2ccco2)c1)N1CCCS1(=O)=O ZINC000089950252 569168686 /nfs/dbraw/zinc/16/86/86/569168686.db2.gz KWNFJBUESWJKNS-GOSISDBHSA-N 0 0 433.530 2.742 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cc(C(=O)NC3CC3)c12 ZINC000016992730 569169638 /nfs/dbraw/zinc/16/96/38/569169638.db2.gz JIOXUJUAVZRTOZ-INIZCTEOSA-N 0 0 428.489 2.798 50 0 IFAARN Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2nc(-c3ccccc3)cn12 ZINC000016992632 569169721 /nfs/dbraw/zinc/16/97/21/569169721.db2.gz RJNYQGMAAQADRK-UHFFFAOYSA-N 0 0 440.550 2.991 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)NCc3ccco3)c12 ZINC000016993082 569169781 /nfs/dbraw/zinc/16/97/81/569169781.db2.gz IQTSDKXJDIJVAA-AWEZNQCLSA-N 0 0 440.481 2.882 50 0 IFAARN COc1ccc(CNC(=O)N2CCC[C@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1OC ZINC000207984170 569170125 /nfs/dbraw/zinc/17/01/25/569170125.db2.gz LXOLFQXVBNPLTE-SFHVURJKSA-N 0 0 436.505 2.991 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cc(C)cc(C)c2)CC3)cc1 ZINC000017010464 569170210 /nfs/dbraw/zinc/17/02/10/569170210.db2.gz ZLXPQVZYFCQCPD-UHFFFAOYSA-N 0 0 444.553 2.965 50 0 IFAARN CCCCN(C(=O)c1cnc(Cl)c(Cl)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000014720703 569170234 /nfs/dbraw/zinc/17/02/34/569170234.db2.gz HQTVMSXNLIRXIB-UHFFFAOYSA-N 0 0 428.320 2.924 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000017040881 569171480 /nfs/dbraw/zinc/17/14/80/569171480.db2.gz LCLWPFLLCXCIRB-UHFFFAOYSA-N 0 0 430.526 2.657 50 0 IFAARN O=C(Nc1ccccc1)c1ccc(N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)nn1 ZINC000170634091 569174395 /nfs/dbraw/zinc/17/43/95/569174395.db2.gz NZEHLJUUBWPOMB-QFIPXVFZSA-N 0 0 442.523 2.656 50 0 IFAARN Cn1cc(C(=O)NCc2ccc(F)cc2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000017149022 569174884 /nfs/dbraw/zinc/17/48/84/569174884.db2.gz GNZZPXHTSBQQHY-UHFFFAOYSA-N 0 0 426.835 2.740 50 0 IFAARN NC(=O)c1ccsc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000017170249 569175406 /nfs/dbraw/zinc/17/54/06/569175406.db2.gz XIGVENMIBLXLNU-SNVBAGLBSA-N 0 0 433.964 2.744 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000089969074 569177208 /nfs/dbraw/zinc/17/72/08/569177208.db2.gz ZPXCSVCQAXTHLV-UHFFFAOYSA-N 0 0 445.516 2.944 50 0 IFAARN CN(c1cccc(NC(=O)c2ccccc2I)c1)S(C)(=O)=O ZINC000002875834 569177606 /nfs/dbraw/zinc/17/76/06/569177606.db2.gz RBYIRUUNRQZXNK-UHFFFAOYSA-N 0 0 430.267 2.939 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)cc1N1CCCS1(=O)=O ZINC000170636766 569178143 /nfs/dbraw/zinc/17/81/43/569178143.db2.gz XQPVMSXXYVKQIW-LJQANCHMSA-N 0 0 435.452 2.945 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@@H]1C(=O)Nc1ccc(F)cc1F ZINC000002092037 569178931 /nfs/dbraw/zinc/17/89/31/569178931.db2.gz SUHJYAOFQCJYHR-JLTOFOAXSA-N 0 0 432.379 2.781 50 0 IFAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCOC)CC(=O)N21 ZINC000002111949 569182117 /nfs/dbraw/zinc/18/21/17/569182117.db2.gz WIVWELDCWZJQFR-RDPSFJRHSA-N 0 0 433.508 2.898 50 0 IFAARN CC(=O)O[C@@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1OC(C)=O ZINC000252427014 569183325 /nfs/dbraw/zinc/18/33/25/569183325.db2.gz RBWWJLZVOQGLQV-PEOLYXCJSA-N 0 0 442.464 2.906 50 0 IFAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H](C)C(=O)N3CCCCC3)CC2)cc1 ZINC000252430670 569183454 /nfs/dbraw/zinc/18/34/54/569183454.db2.gz CWZXEKCVSLOCHL-VAMGGRTRSA-N 0 0 449.617 2.597 50 0 IFAARN C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H]1c1cccs1 ZINC000252445397 569183907 /nfs/dbraw/zinc/18/39/07/569183907.db2.gz NOOGSQKYXXLPNB-APWZRJJASA-N 0 0 449.598 2.933 50 0 IFAARN CCCCn1c(SCC(=O)Nc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000002144567 569186744 /nfs/dbraw/zinc/18/67/44/569186744.db2.gz YRSBQAIGRHOXLH-UHFFFAOYSA-N 0 0 435.937 2.618 50 0 IFAARN COc1cccc(-c2cc(C(=O)N3CC(Oc4cc(C)n(C5CC5)c(=O)c4)C3)n(C)n2)c1 ZINC000252489804 569186800 /nfs/dbraw/zinc/18/68/00/569186800.db2.gz KBAZXNGITPFXIH-UHFFFAOYSA-N 0 0 434.496 2.804 50 0 IFAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(Cl)cc1-n1cnnn1 ZINC000252490329 569186899 /nfs/dbraw/zinc/18/68/99/569186899.db2.gz KPRIYXCQZOVHKS-CYBMUJFWSA-N 0 0 425.880 2.803 50 0 IFAARN O=C(NC1CCCC1)[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002149273 569187091 /nfs/dbraw/zinc/18/70/91/569187091.db2.gz YAVWLTGQSCTQLK-URVUXULASA-N 0 0 448.567 2.647 50 0 IFAARN COc1ccc(N2C(=O)N[C@H](CC(=O)NCc3cc(Cl)cc4c3OCOC4)C2=O)cc1 ZINC000252510002 569188506 /nfs/dbraw/zinc/18/85/06/569188506.db2.gz YZTVFAAOUNRETL-QGZVFWFLSA-N 0 0 445.859 2.551 50 0 IFAARN CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252515657 569189171 /nfs/dbraw/zinc/18/91/71/569189171.db2.gz MKLVKBUBLCQRRR-JCURWCKSSA-N 0 0 427.314 2.980 50 0 IFAARN Cc1ccc([C@H](NC(=O)CN2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)c2cccs2)cc1 ZINC000252533185 569189787 /nfs/dbraw/zinc/18/97/87/569189787.db2.gz GEWAGGQZAPNZEM-JPLUHHLPSA-N 0 0 442.610 2.801 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3cccc4ncccc43)C2=O)cc1OC ZINC000252551113 569191012 /nfs/dbraw/zinc/19/10/12/569191012.db2.gz UBDBOJOOOOLPOT-LJQANCHMSA-N 0 0 448.479 2.948 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)C[C@H]3NC(=O)N(CCc4ccccc4)C3=O)c2c1 ZINC000252553235 569191017 /nfs/dbraw/zinc/19/10/17/569191017.db2.gz VIJLFKWHLGGNDE-OAQYLSRUSA-N 0 0 434.496 2.593 50 0 IFAARN CCCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)COC)CC2)n1 ZINC000037379790 569191652 /nfs/dbraw/zinc/19/16/52/569191652.db2.gz HDQKEOYPSXGZMK-UHFFFAOYSA-N 0 0 440.523 2.901 50 0 IFAARN COc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cc1 ZINC000252599162 569193497 /nfs/dbraw/zinc/19/34/97/569193497.db2.gz DGPJSNOMOSRXLR-CROMWVBPSA-N 0 0 438.867 2.592 50 0 IFAARN CC(C)c1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3cccnc3)c2=O)cc1 ZINC000037398952 569194167 /nfs/dbraw/zinc/19/41/67/569194167.db2.gz GPPYWHVUSSATQN-UHFFFAOYSA-N 0 0 428.492 2.987 50 0 IFAARN COCC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000037400219 569194787 /nfs/dbraw/zinc/19/47/87/569194787.db2.gz SKKOYJZRAFIJPW-SFHVURJKSA-N 0 0 437.489 2.747 50 0 IFAARN COCCNC(=O)c1ccc(Cn2ccs/c2=N\C(=O)c2cccc(OC)c2)cc1 ZINC000037436876 569196291 /nfs/dbraw/zinc/19/62/91/569196291.db2.gz YABNHEKQFOBGCM-GYHWCHFESA-N 0 0 425.510 2.724 50 0 IFAARN C[C@H](C(=O)NCC1CC1)N1C(=O)COc2ccc(C(=O)COc3cccc(F)c3)cc21 ZINC000037511986 569197944 /nfs/dbraw/zinc/19/79/44/569197944.db2.gz CYHOBFPVMBXSIO-CQSZACIVSA-N 0 0 426.444 2.728 50 0 IFAARN COc1ccccc1OCC(=O)c1ccc2c(c1)N([C@H](C)C(=O)N1CCCC1)C(=O)CO2 ZINC000037512274 569198024 /nfs/dbraw/zinc/19/80/24/569198024.db2.gz FHPVTYHINQVTFG-MRXNPFEDSA-N 0 0 438.480 2.693 50 0 IFAARN C[C@@H](C(=O)NC1CC1)N1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21 ZINC000037512215 569198054 /nfs/dbraw/zinc/19/80/54/569198054.db2.gz GAOBDMZKKNGRQC-ZDUSSCGKSA-N 0 0 428.872 2.994 50 0 IFAARN COc1cccc(OCC(=O)c2ccc3c(c2)N([C@H](C)C(=O)N2CCCC2)C(=O)CO3)c1 ZINC000037512244 569198056 /nfs/dbraw/zinc/19/80/56/569198056.db2.gz MGBXGDKBSVFGSR-MRXNPFEDSA-N 0 0 438.480 2.693 50 0 IFAARN COc1ccccc1OCC(=O)c1ccc2c(c1)N(CCCC(=O)NC1CC1)C(=O)CO2 ZINC000037512724 569198073 /nfs/dbraw/zinc/19/80/73/569198073.db2.gz ICTGVNUFBVNKAQ-UHFFFAOYSA-N 0 0 438.480 2.741 50 0 IFAARN CN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000037525506 569198823 /nfs/dbraw/zinc/19/88/23/569198823.db2.gz WWRSQJYBPWLFQK-VAWYXSNFSA-N 0 0 432.568 2.873 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3F)c(=O)n2[C@@H]1c1cccs1 ZINC000252666146 569209574 /nfs/dbraw/zinc/20/95/74/569209574.db2.gz APNHBUKSBRIQBQ-GOSISDBHSA-N 0 0 428.510 2.999 50 0 IFAARN C[C@H]1CN(CC(=O)NC[C@H]2CCS(=O)(=O)C2)c2ccccc2N(Cc2ccccc2)C1 ZINC000252666094 569209584 /nfs/dbraw/zinc/20/95/84/569209584.db2.gz AMIVIOXLGKSOEE-TZIWHRDSSA-N 0 0 441.597 2.700 50 0 IFAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252666086 569209589 /nfs/dbraw/zinc/20/95/89/569209589.db2.gz ALYDLEWQXZEAOS-LJQANCHMSA-N 0 0 426.444 2.686 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000252675755 569210289 /nfs/dbraw/zinc/21/02/89/569210289.db2.gz UYQOSASERNJBGQ-LJQANCHMSA-N 0 0 441.578 2.815 50 0 IFAARN COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@H]4[C@@H](C)C(=O)C[C@@H]2c2ccco2)c1 ZINC000252694977 569210993 /nfs/dbraw/zinc/21/09/93/569210993.db2.gz SOLPERFSTZHDQZ-FRKMHLKPSA-N 0 0 448.475 2.728 50 0 IFAARN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000013039474 569256728 /nfs/dbraw/zinc/25/67/28/569256728.db2.gz QGILCUABKMDRCM-INIZCTEOSA-N 0 0 428.533 2.734 50 0 IFAARN COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000068569346 569258596 /nfs/dbraw/zinc/25/85/96/569258596.db2.gz SYHUKNSTHJICMX-FTLKTZKXSA-N 0 0 438.605 2.508 50 0 IFAARN CC1(C)O[C@H]2[C@H](O1)[C@H](COC(=O)c1ccccc1)OCO[C@H]2COC(=O)c1ccccc1 ZINC000100970508 569258675 /nfs/dbraw/zinc/25/86/75/569258675.db2.gz PWLCYBVEONJDMJ-UWHLTILDSA-N 0 0 442.464 2.962 50 0 IFAARN COCCn1c(Cc2cccc3ccccc32)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC000253393044 569264441 /nfs/dbraw/zinc/26/44/41/569264441.db2.gz OTMBDXYHAGDLJZ-IBGZPJMESA-N 0 0 428.558 2.682 50 0 IFAARN COc1ccc([C@@H](CNC(=O)C(=O)N2CCC(CO)CC2)c2c[nH]c3ccccc32)cc1 ZINC000253407906 569265455 /nfs/dbraw/zinc/26/54/55/569265455.db2.gz NOQHBGLWTYWLHD-OAQYLSRUSA-N 0 0 435.524 2.656 50 0 IFAARN NC(=O)c1ccc(N2CCC(C(=O)N3CCn4cccc4[C@H]3c3ccccc3)CC2)nc1 ZINC000253419391 569266695 /nfs/dbraw/zinc/26/66/95/569266695.db2.gz MRMHUSOTTDSACP-HSZRJFAPSA-N 0 0 429.524 2.830 50 0 IFAARN CC(=O)OCCCNC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccco1 ZINC000027532539 569266805 /nfs/dbraw/zinc/26/68/05/569266805.db2.gz SWAJIMFZXVVGOQ-FOWTUZBSSA-N 0 0 435.274 2.882 50 0 IFAARN C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)NC1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000253433152 569269326 /nfs/dbraw/zinc/26/93/26/569269326.db2.gz SRZAXRNLYUEWLQ-FFZOFVMBSA-N 0 0 428.552 2.616 50 0 IFAARN CC(=O)N[C@H]1[C@@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@H]1Oc1cccc2ccccc21 ZINC000253498534 569283182 /nfs/dbraw/zinc/28/31/82/569283182.db2.gz FYTGFTLKWMSTHB-LLFXUEIYSA-N 0 0 425.437 2.516 50 0 IFAARN C[C@@H](OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000007932967 569285090 /nfs/dbraw/zinc/28/50/90/569285090.db2.gz SCURLQHUZMRLIL-OAHLLOKOSA-N 0 0 427.501 2.690 50 0 IFAARN O=C(N[C@H](CO)c1ccccc1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000252484280 569287938 /nfs/dbraw/zinc/28/79/38/569287938.db2.gz FTOCKSWYRGPOOT-SUMWQHHRSA-N 0 0 443.301 2.528 50 0 IFAARN COc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)C[C@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000008781400 569290627 /nfs/dbraw/zinc/29/06/27/569290627.db2.gz PJRAYPJPBFRIPC-HZPDHXFCSA-N 0 0 446.525 2.722 50 0 IFAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccccc2F)N1[C@H]1CCS(=O)(=O)C1 ZINC000027757571 569296856 /nfs/dbraw/zinc/29/68/56/569296856.db2.gz GNPQQZLMMFKCOK-YUNKPMOVSA-N 0 0 427.457 2.654 50 0 IFAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1[C@@H]1CCS(=O)(=O)C1 ZINC000027757578 569296904 /nfs/dbraw/zinc/29/69/04/569296904.db2.gz GNPQQZLMMFKCOK-MPBGBICISA-N 0 0 427.457 2.654 50 0 IFAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCC2)O3)cc1 ZINC000009683470 569297755 /nfs/dbraw/zinc/29/77/55/569297755.db2.gz NCXSGYMBDCKDLK-NRFANRHFSA-N 0 0 446.525 2.673 50 0 IFAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(OC(C)C)c3)n2N)cc1 ZINC000002392040 569297856 /nfs/dbraw/zinc/29/78/56/569297856.db2.gz PFYWRQBKLDYJJJ-UHFFFAOYSA-N 0 0 441.513 2.964 50 0 IFAARN Cn1c2nc3n(cc(-c4ccc5ccccc5c4)n3C[C@H]3CCCO3)c2c(=O)n(C)c1=O ZINC000002411261 569300957 /nfs/dbraw/zinc/30/09/57/569300957.db2.gz ABVQPXMVJPHEJM-GOSISDBHSA-N 0 0 429.480 2.686 50 0 IFAARN CCn1c(=O)c2sccc2nc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000027837824 569302003 /nfs/dbraw/zinc/30/20/03/569302003.db2.gz ITTTWQNAEMHXHI-UHFFFAOYSA-N 0 0 432.483 2.647 50 0 IFAARN C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)CC(=O)Nc1ccc(Cl)cc1 ZINC000012992674 569305983 /nfs/dbraw/zinc/30/59/83/569305983.db2.gz MFBZTXWNMAIUQQ-SFHVURJKSA-N 0 0 428.964 2.943 50 0 IFAARN COc1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(OC)c1 ZINC000013000348 569306140 /nfs/dbraw/zinc/30/61/40/569306140.db2.gz BVTIVNHLYMMZFX-ONNFQVAWSA-N 0 0 427.476 2.639 50 0 IFAARN COc1ccc(/C=C/C(=O)Nn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)cc1OC ZINC000013036690 569307478 /nfs/dbraw/zinc/30/74/78/569307478.db2.gz OXRWBFRJTHLOCY-YRNVUSSQSA-N 0 0 431.452 2.691 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)c1ccc(F)cc1 ZINC000013032019 569307506 /nfs/dbraw/zinc/30/75/06/569307506.db2.gz GNLAQGCGVGCPAO-OAHLLOKOSA-N 0 0 439.940 2.663 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccc(F)cc4)o3)CC2)cc1C ZINC000013037908 569307596 /nfs/dbraw/zinc/30/75/96/569307596.db2.gz OYVUSRPJLQQWJZ-UHFFFAOYSA-N 0 0 430.505 2.999 50 0 IFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCCCC1 ZINC000013039057 569307865 /nfs/dbraw/zinc/30/78/65/569307865.db2.gz GSZWBTABZCLXNU-UHFFFAOYSA-N 0 0 442.965 2.687 50 0 IFAARN CC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000013063510 569308757 /nfs/dbraw/zinc/30/87/57/569308757.db2.gz JDEHBAWDTQATDK-UHFFFAOYSA-N 0 0 443.569 2.958 50 0 IFAARN O=C([C@H]1COc2ccccc2O1)N1CCN(Cn2nc(-c3ccccc3)oc2=S)CC1 ZINC000013071749 569309049 /nfs/dbraw/zinc/30/90/49/569309049.db2.gz SNIFEZCCTGTZSE-LJQANCHMSA-N 0 0 438.509 2.814 50 0 IFAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1 ZINC000013346343 569312877 /nfs/dbraw/zinc/31/28/77/569312877.db2.gz GMADKZCKFDZZEK-UHFFFAOYSA-N 0 0 426.494 2.685 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cccc(SC)c1 ZINC000013359389 569313920 /nfs/dbraw/zinc/31/39/20/569313920.db2.gz RNPJMLGNFCBWOP-UHFFFAOYSA-N 0 0 449.536 2.789 50 0 IFAARN O=C1NC2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)N=C1c1cccs1 ZINC000013363081 569314138 /nfs/dbraw/zinc/31/41/38/569314138.db2.gz QUBGUMIVKLTLAR-UHFFFAOYSA-N 0 0 427.910 2.641 50 0 IFAARN COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)NCc4ccccn4)C3)n2)cc1OC ZINC000013367186 569314385 /nfs/dbraw/zinc/31/43/85/569314385.db2.gz WBRWEPIDTHZWDT-QGZVFWFLSA-N 0 0 437.500 2.677 50 0 IFAARN Cc1nnc(SCC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)n1-c1cc(C)ccc1C ZINC000328592436 569317186 /nfs/dbraw/zinc/31/71/86/569317186.db2.gz IGBKSJJXRWZNJR-MISYRCLQSA-N 0 0 430.574 2.673 50 0 IFAARN CCN(C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)[C@H](C)CS(=O)(=O)CC ZINC000078808727 569319188 /nfs/dbraw/zinc/31/91/88/569319188.db2.gz CQYKBJFNXDTDGB-GFCCVEGCSA-N 0 0 433.456 2.963 50 0 IFAARN COC(=O)CNC(=O)c1cccc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000078875770 569319741 /nfs/dbraw/zinc/31/97/41/569319741.db2.gz PIRZLKVJAQJKNJ-UHFFFAOYSA-N 0 0 442.859 2.864 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3cccn3C)CC2)cc1 ZINC000078877630 569319863 /nfs/dbraw/zinc/31/98/63/569319863.db2.gz RXNBVOBFHITIEX-GOSISDBHSA-N 0 0 447.601 2.962 50 0 IFAARN COC(=O)c1ccc(-c2nnn(CC(=O)Nc3ccc(Br)cc3F)n2)cc1 ZINC000078876862 569319877 /nfs/dbraw/zinc/31/98/77/569319877.db2.gz UQMUOYNINCCGDD-UHFFFAOYSA-N 0 0 434.225 2.667 50 0 IFAARN CCOC(=O)CN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)c1ccc(F)cc1 ZINC000078958461 569320597 /nfs/dbraw/zinc/32/05/97/569320597.db2.gz SNJFZDUXZJIODX-UHFFFAOYSA-N 0 0 435.883 2.946 50 0 IFAARN CCN(CCN(C)CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000079021460 569322458 /nfs/dbraw/zinc/32/24/58/569322458.db2.gz HFOQQDHECKEXQK-UHFFFAOYSA-N 0 0 429.892 2.547 50 0 IFAARN CCOC(=O)c1c[nH]nc1S(=O)(=O)N1C[C@H](C)Oc2cc(C)c(Br)cc21 ZINC000079047474 569323208 /nfs/dbraw/zinc/32/32/08/569323208.db2.gz XQRCRYQBVYXMCG-JTQLQIEISA-N 0 0 444.307 2.634 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2[S@@](=O)CC)cc1 ZINC000079049673 569323233 /nfs/dbraw/zinc/32/32/33/569323233.db2.gz YZMHUSFEMXWLAV-VXHQTHCQSA-N 0 0 440.631 2.926 50 0 IFAARN O=S(=O)(Nc1c(F)cccc1Br)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000079054842 569323464 /nfs/dbraw/zinc/32/34/64/569323464.db2.gz OZHUVOFSHRUAKO-UHFFFAOYSA-N 0 0 449.323 2.830 50 0 IFAARN COc1cc2[nH]c(CCCNC(=O)[C@H]3CSCN3C(=O)C3CCC3)cc2c(OC)c1 ZINC000079057521 569323771 /nfs/dbraw/zinc/32/37/71/569323771.db2.gz STGAJHNUDRJDJZ-LJQANCHMSA-N 0 0 431.558 2.936 50 0 IFAARN Cc1ccc(Oc2ccccc2)c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000079056891 569323790 /nfs/dbraw/zinc/32/37/90/569323790.db2.gz BQYCKCBSSOSZHO-INIZCTEOSA-N 0 0 441.509 2.891 50 0 IFAARN O=S(=O)(c1ccccc1F)N1CCN(Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000079059138 569323810 /nfs/dbraw/zinc/32/38/10/569323810.db2.gz HAUMOELRJMUQFP-UHFFFAOYSA-N 0 0 435.912 2.566 50 0 IFAARN C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)c1cc2ccccc2o1 ZINC000079067473 569324392 /nfs/dbraw/zinc/32/43/92/569324392.db2.gz DFOROLUIJXDXGD-CYBMUJFWSA-N 0 0 449.467 2.808 50 0 IFAARN Cc1nc(COc2ccccc2)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000019688884 569326472 /nfs/dbraw/zinc/32/64/72/569326472.db2.gz NYRIMUSMHNBOFZ-UHFFFAOYSA-N 0 0 431.539 2.650 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(=O)[nH]1)CCC3)C[C@H](C)CC2 ZINC000019796775 569329550 /nfs/dbraw/zinc/32/95/50/569329550.db2.gz ICSLSLLAJCDCBU-SNVBAGLBSA-N 0 0 433.555 2.962 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl ZINC000019797440 569329634 /nfs/dbraw/zinc/32/96/34/569329634.db2.gz CAPBLPUEMZEQJQ-UHFFFAOYSA-N 0 0 431.901 2.860 50 0 IFAARN COc1ccc(N2C(=O)CN([C@@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000019797491 569329676 /nfs/dbraw/zinc/32/96/76/569329676.db2.gz UUHFXNWBWIZQCG-ZOCIIQOWSA-N 0 0 434.945 2.924 50 0 IFAARN COc1ccc2nnc(CCC(=O)NCCn3ccc4ccc(Br)cc43)n2n1 ZINC000079482616 569330992 /nfs/dbraw/zinc/33/09/92/569330992.db2.gz WANNURTXXLVEOX-UHFFFAOYSA-N 0 0 443.305 2.599 50 0 IFAARN Cc1c(C)c(=O)oc2c(C)c(OCC(=O)N3CCN(CCc4ccccn4)CC3)ccc12 ZINC000079490844 569331310 /nfs/dbraw/zinc/33/13/10/569331310.db2.gz JGOSPFIXMCKPNT-UHFFFAOYSA-N 0 0 435.524 2.879 50 0 IFAARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000020069781 569333228 /nfs/dbraw/zinc/33/32/28/569333228.db2.gz GQEYKKLPYWIKCR-LJQANCHMSA-N 0 0 437.374 2.757 50 0 IFAARN CCN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)CC1 ZINC000020153412 569353547 /nfs/dbraw/zinc/35/35/47/569353547.db2.gz SZHJEXUDCQAYQR-DNQXCXABSA-N 0 0 449.551 2.705 50 0 IFAARN CCN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)CC1 ZINC000020153416 569353577 /nfs/dbraw/zinc/35/35/77/569353577.db2.gz SZHJEXUDCQAYQR-RPWUZVMVSA-N 0 0 449.551 2.705 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)cc1F ZINC000390829712 569354122 /nfs/dbraw/zinc/35/41/22/569354122.db2.gz GAXGEFHESDLYQE-QGZVFWFLSA-N 0 0 433.548 2.836 50 0 IFAARN COc1ccc(S(=O)(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1C ZINC000390829659 569354158 /nfs/dbraw/zinc/35/41/58/569354158.db2.gz FTAWFECHNWJUNX-UHFFFAOYSA-N 0 0 430.452 2.760 50 0 IFAARN COc1cc2c(cc(C(=O)N[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n2C)c(OC)c1 ZINC000094992913 569355823 /nfs/dbraw/zinc/35/58/23/569355823.db2.gz LYKVXGQCHFBANP-CYBMUJFWSA-N 0 0 439.468 2.724 50 0 IFAARN COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)cc1 ZINC000020231838 569357114 /nfs/dbraw/zinc/35/71/14/569357114.db2.gz PRYWHEBJBZAVQF-OAQYLSRUSA-N 0 0 445.541 2.546 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21 ZINC000020232873 569357131 /nfs/dbraw/zinc/35/71/31/569357131.db2.gz JRYKPEPSCYIGDP-CBGDNZLLSA-N 0 0 449.617 2.793 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)Nc3cc(C)ccn3)C(C)C)ccc21 ZINC000020234368 569357215 /nfs/dbraw/zinc/35/72/15/569357215.db2.gz WGQKUHGGUZHDNM-NRFANRHFSA-N 0 0 444.557 2.631 50 0 IFAARN CCOC(=O)c1sc2nc(SCC(=O)Nc3ccccc3CC)n(N)c(=O)c2c1C ZINC000020237724 569357460 /nfs/dbraw/zinc/35/74/60/569357460.db2.gz DSBHPARNCMEPQB-UHFFFAOYSA-N 0 0 446.554 2.950 50 0 IFAARN Cn1cccc1Cc1nnc(SCC(=O)NC[C@H]2CCCO2)n1Cc1ccccc1 ZINC000020285933 569359049 /nfs/dbraw/zinc/35/90/49/569359049.db2.gz PUCJCWUOQFZDKU-LJQANCHMSA-N 0 0 425.558 2.643 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1F ZINC000020327118 569360507 /nfs/dbraw/zinc/36/05/07/569360507.db2.gz OLXFVRSFDOZAKM-AWEZNQCLSA-N 0 0 447.488 2.618 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020328304 569360656 /nfs/dbraw/zinc/36/06/56/569360656.db2.gz NEPLVAUHMRCQIE-GOSISDBHSA-N 0 0 434.901 2.985 50 0 IFAARN CN(C)C(=O)c1ccc(NC(=O)CN2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000095349091 569361596 /nfs/dbraw/zinc/36/15/96/569361596.db2.gz YVBCCQBSAXOMFN-UHFFFAOYSA-N 0 0 431.540 2.693 50 0 IFAARN Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000095350295 569361749 /nfs/dbraw/zinc/36/17/49/569361749.db2.gz LVYUUNDQJAITQM-DLBZAZTESA-N 0 0 446.529 2.691 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095351136 569361958 /nfs/dbraw/zinc/36/19/58/569361958.db2.gz GKXZMEUKYYXBAV-UHFFFAOYSA-N 0 0 428.964 2.829 50 0 IFAARN COc1ccccc1CNC(=O)[C@@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000080337872 569362399 /nfs/dbraw/zinc/36/23/99/569362399.db2.gz NCVGRIAESUFRPU-MRXNPFEDSA-N 0 0 430.936 2.885 50 0 IFAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(CNC(C)=O)cc1 ZINC000095377710 569363146 /nfs/dbraw/zinc/36/31/46/569363146.db2.gz BODLNMCFCIKRNB-FQEVSTJZSA-N 0 0 440.496 2.643 50 0 IFAARN CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 ZINC000095381762 569363215 /nfs/dbraw/zinc/36/32/15/569363215.db2.gz WHJWXDNYPVDKLV-KRWDZBQOSA-N 0 0 432.542 2.969 50 0 IFAARN CC(C)(C)c1cc(NC(=O)N[C@H]2CCN(c3ccccc3)C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000095389703 569363346 /nfs/dbraw/zinc/36/33/46/569363346.db2.gz ZQUVKIIYWGMZLP-WMZOPIPTSA-N 0 0 445.589 2.941 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1 ZINC000020418987 569365221 /nfs/dbraw/zinc/36/52/21/569365221.db2.gz MUJLGSAERFYUAL-UHFFFAOYSA-N 0 0 448.479 2.877 50 0 IFAARN O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NC[C@@H](CCO)c1ccccc1 ZINC000095410268 569365321 /nfs/dbraw/zinc/36/53/21/569365321.db2.gz YAXZGOYMKVPXDE-QGZVFWFLSA-N 0 0 440.359 2.646 50 0 IFAARN Cc1nc(CCNC(=O)Nc2cc(C(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)sc1C ZINC000095418781 569365449 /nfs/dbraw/zinc/36/54/49/569365449.db2.gz DTKKFAQCVRAVSZ-CQSZACIVSA-N 0 0 439.607 2.978 50 0 IFAARN CC[C@H]1c2cccn2CCN1C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000095427587 569366127 /nfs/dbraw/zinc/36/61/27/569366127.db2.gz DZRRNPFZGCYZOE-INIZCTEOSA-N 0 0 440.363 2.865 50 0 IFAARN C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(N(C)C(=O)[C@H](C)OCC(F)(F)F)nc1 ZINC000095440773 569366525 /nfs/dbraw/zinc/36/65/25/569366525.db2.gz NJFVQRIQPKYNGU-ZJUUUORDSA-N 0 0 431.333 2.918 50 0 IFAARN COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)N[C@H](C)Cc1cccs1 ZINC000095441960 569366764 /nfs/dbraw/zinc/36/67/64/569366764.db2.gz HUTORRBGIGBADH-SECBINFHSA-N 0 0 433.349 2.528 50 0 IFAARN COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)N1CCc2ccc(C)cc21 ZINC000095441976 569366785 /nfs/dbraw/zinc/36/67/85/569366785.db2.gz DDCOFRKBLGPHAT-UHFFFAOYSA-N 0 0 425.304 2.616 50 0 IFAARN C[C@H]1CCc2c(sc3ncnc(N[C@@H](Cc4ccccc4)C(=O)NCCC(N)=O)c32)C1 ZINC000095443209 569366878 /nfs/dbraw/zinc/36/68/78/569366878.db2.gz KIIUGZNGHBOIFD-YOEHRIQHSA-N 0 0 437.569 2.831 50 0 IFAARN CCOc1cc(CNc2cccnc2N2CCC(O)CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000095443034 569366880 /nfs/dbraw/zinc/36/68/80/569366880.db2.gz SKKHLWGBKCKGNJ-QGZVFWFLSA-N 0 0 442.560 2.909 50 0 IFAARN Cc1ncsc1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000095444183 569366966 /nfs/dbraw/zinc/36/69/66/569366966.db2.gz HCVOKSDAGPAVBR-HZPDHXFCSA-N 0 0 436.578 2.819 50 0 IFAARN O=c1[nH]c2ccc(S(=O)(=O)N3CCc4ccccc4[C@@H]3Cc3ccccc3)cc2c(=O)[nH]1 ZINC000095445250 569367106 /nfs/dbraw/zinc/36/71/06/569367106.db2.gz UMQJLOGKWWAFBL-QFIPXVFZSA-N 0 0 447.516 2.747 50 0 IFAARN Cc1cnc2c(c1)N(C(=O)CN1C(=O)N[C@](C)(c3ccc4ccccc4c3)C1=O)CCO2 ZINC000095445553 569367362 /nfs/dbraw/zinc/36/73/62/569367362.db2.gz MRWJTVXIOWYHME-XMMPIXPASA-N 0 0 430.464 2.736 50 0 IFAARN Cn1ccnc1SCc1ccc(C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)o1 ZINC000095450857 569367789 /nfs/dbraw/zinc/36/77/89/569367789.db2.gz FOFOCBFVKZMGST-UHFFFAOYSA-N 0 0 446.554 2.727 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3ccc(CCSC)cc3)C2)cc1 ZINC000095454961 569368416 /nfs/dbraw/zinc/36/84/16/569368416.db2.gz CKEJQPTZXNYMMZ-UHFFFAOYSA-N 0 0 435.571 2.795 50 0 IFAARN O=C(OCCc1ccccc1COC(=O)c1ccc2nncn2c1)c1ccc2nncn2c1 ZINC000095456175 569368813 /nfs/dbraw/zinc/36/88/13/569368813.db2.gz PREAVNPYVMIONL-UHFFFAOYSA-N 0 0 442.435 2.529 50 0 IFAARN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000095458130 569369065 /nfs/dbraw/zinc/36/90/65/569369065.db2.gz HPAGTDHZHSJOPE-QKKBWIMNSA-N 0 0 436.505 2.589 50 0 IFAARN COc1cccc(CC(=O)NC[C@H]2CSCCN2C(=O)Cc2cccc(OC)c2)c1 ZINC000095458449 569369181 /nfs/dbraw/zinc/36/91/81/569369181.db2.gz YTPFRXUMEMZIOQ-IBGZPJMESA-N 0 0 428.554 2.549 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000095458925 569369315 /nfs/dbraw/zinc/36/93/15/569369315.db2.gz FJCFMAMTIPBOMB-HXUWFJFHSA-N 0 0 448.589 2.590 50 0 IFAARN CC(=O)N1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)C(C)(C)C1 ZINC000095460258 569369673 /nfs/dbraw/zinc/36/96/73/569369673.db2.gz YGHAKHFDVQPXHQ-UHFFFAOYSA-N 0 0 436.434 2.643 50 0 IFAARN Cc1ccc(NC(=O)NC(=O)COC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1C ZINC000095466501 569370902 /nfs/dbraw/zinc/37/09/02/569370902.db2.gz IMFVCQKFUOEHKI-UHFFFAOYSA-N 0 0 432.502 2.788 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000095467462 569371074 /nfs/dbraw/zinc/37/10/74/569371074.db2.gz UUILXXJBTPJLBS-JKSUJKDBSA-N 0 0 425.348 2.834 50 0 IFAARN CC(=O)OCCc1cccc(NC(=O)CN2C(=O)COc3cc(Br)ccc32)c1 ZINC000095467377 569371083 /nfs/dbraw/zinc/37/10/83/569371083.db2.gz XQJGZNOWEXNALW-UHFFFAOYSA-N 0 0 447.285 2.919 50 0 IFAARN Cc1nc([C@@H]2CN(C(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)CCO2)no1 ZINC000095468236 569371216 /nfs/dbraw/zinc/37/12/16/569371216.db2.gz MIRULILNGMTEDB-ZFWWWQNUSA-N 0 0 425.411 2.608 50 0 IFAARN Cc1nc([C@H]2CN(C(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)CCO2)no1 ZINC000095468237 569371234 /nfs/dbraw/zinc/37/12/34/569371234.db2.gz MIRULILNGMTEDB-DZGCQCFKSA-N 0 0 425.411 2.608 50 0 IFAARN O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)c1ccc(F)cc1I ZINC000095469333 569371555 /nfs/dbraw/zinc/37/15/55/569371555.db2.gz DVTHQCJOIARVOO-CQSZACIVSA-N 0 0 428.176 2.715 50 0 IFAARN C[C@H]1CCc2ccccc2N1C(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000095469838 569371647 /nfs/dbraw/zinc/37/16/47/569371647.db2.gz OCTJFHOEEAHIPX-IBGZPJMESA-N 0 0 427.570 2.502 50 0 IFAARN CCOC(=O)c1ccsc1NC(=O)CN1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000095469850 569371689 /nfs/dbraw/zinc/37/16/89/569371689.db2.gz UJDBZUQSOFVTKJ-UHFFFAOYSA-N 0 0 435.933 2.975 50 0 IFAARN COc1ccc(CCc2nc(NC(=O)Cc3ccc4c(c3)OCCCO4)n[nH]2)cc1OC ZINC000095473399 569372344 /nfs/dbraw/zinc/37/23/44/569372344.db2.gz PSVMGHDYNPQTDR-UHFFFAOYSA-N 0 0 438.484 2.950 50 0 IFAARN O=C(Nc1nnc([C@H]2CCCO2)s1)[C@H](Cc1ccccc1)NC(=O)N1CCSCC1 ZINC000095481533 569374060 /nfs/dbraw/zinc/37/40/60/569374060.db2.gz HRBKTQUEPKYOCC-JKSUJKDBSA-N 0 0 447.586 2.698 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CCn1cnc3ccccc3c1=O)CN(C)CC2 ZINC000095482155 569374157 /nfs/dbraw/zinc/37/41/57/569374157.db2.gz IXUGNOCQFRXDMN-UHFFFAOYSA-N 0 0 440.525 2.651 50 0 IFAARN O=C(NCCc1cscn1)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000095939834 569375213 /nfs/dbraw/zinc/37/52/13/569375213.db2.gz SQPZMLQZHKLEPC-XMMPIXPASA-N 0 0 446.532 2.981 50 0 IFAARN CC(C)[C@H](NC(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1)c1nccn1C ZINC000095939056 569375265 /nfs/dbraw/zinc/37/52/65/569375265.db2.gz JSMZQFLSTFDVPL-FQEVSTJZSA-N 0 0 430.530 2.925 50 0 IFAARN Cc1cc(C)n(C[C@H](C)NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)n1 ZINC000095946539 569376051 /nfs/dbraw/zinc/37/60/51/569376051.db2.gz WEEFPSHJWPGPLV-HNNXBMFYSA-N 0 0 431.514 2.894 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000095946685 569376232 /nfs/dbraw/zinc/37/62/32/569376232.db2.gz BOASFWLWROAXTH-INIZCTEOSA-N 0 0 440.560 2.958 50 0 IFAARN O=C(CN1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1)NCc1ccccc1 ZINC000095947113 569376283 /nfs/dbraw/zinc/37/62/83/569376283.db2.gz CRNBERNWBBOQNB-UHFFFAOYSA-N 0 0 435.355 2.866 50 0 IFAARN CCCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3cc4c(cc32)OCO4)CC1 ZINC000095948810 569376564 /nfs/dbraw/zinc/37/65/64/569376564.db2.gz MZCYLRXJPOJCFB-UHFFFAOYSA-N 0 0 446.451 2.676 50 0 IFAARN CCOC(=O)c1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)s1 ZINC000095965585 569377199 /nfs/dbraw/zinc/37/71/99/569377199.db2.gz XWRRHHRULUFXBR-UHFFFAOYSA-N 0 0 446.938 2.651 50 0 IFAARN COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000095977879 569377719 /nfs/dbraw/zinc/37/77/19/569377719.db2.gz DHJBTIVBXKUDSK-INIZCTEOSA-N 0 0 448.273 2.858 50 0 IFAARN Cc1c(C(=O)OC[C@H](COc2ccc(Cl)cc2)OC(=O)c2cnn(C)c2C)cnn1C ZINC000095979710 569377768 /nfs/dbraw/zinc/37/77/68/569377768.db2.gz PSTMUKWNYNDUNJ-KRWDZBQOSA-N 0 0 446.891 2.885 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3c(C)nn(CC)c3C(=O)OC)cc2)c1C ZINC000095983215 569377930 /nfs/dbraw/zinc/37/79/30/569377930.db2.gz RJCXIUUKMMKPLJ-UHFFFAOYSA-N 0 0 439.472 2.921 50 0 IFAARN C[C@H]1CN([C@@H](CNC(=O)C2(N3CCOCC3)CCC2)c2c(F)cccc2Cl)CCO1 ZINC000095983143 569377968 /nfs/dbraw/zinc/37/79/68/569377968.db2.gz YZVVCKDWANFVSW-LPHOPBHVSA-N 0 0 439.959 2.612 50 0 IFAARN CN(c1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1)S(C)(=O)=O ZINC000095993303 569378285 /nfs/dbraw/zinc/37/82/85/569378285.db2.gz DZHJTUVKKUMXGS-KRWDZBQOSA-N 0 0 439.541 2.887 50 0 IFAARN Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCC[C@@H](n3nccc3C(F)(F)F)C2)c1C ZINC000095995487 569378572 /nfs/dbraw/zinc/37/85/72/569378572.db2.gz FTWQNFGNAIRBCR-CYBMUJFWSA-N 0 0 430.452 2.643 50 0 IFAARN CO[C@H]1CCN(c2cc(C(F)(F)F)nc3ncnn32)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096005723 569379319 /nfs/dbraw/zinc/37/93/19/569379319.db2.gz LPDJPVGLTUFRRF-NEPJUHHUSA-N 0 0 430.431 2.652 50 0 IFAARN COCCOc1ccc(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)cn1 ZINC000096005573 569379368 /nfs/dbraw/zinc/37/93/68/569379368.db2.gz IKTINIQLHGPZRO-KRWDZBQOSA-N 0 0 438.406 2.831 50 0 IFAARN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000096004713 569379378 /nfs/dbraw/zinc/37/93/78/569379378.db2.gz AGYDHXVLKKABSD-UHFFFAOYSA-N 0 0 449.529 2.552 50 0 IFAARN COC(=O)CCN(Cc1nc(-c2ccc(Br)s2)no1)CC(OC)OC ZINC000096007161 569379445 /nfs/dbraw/zinc/37/94/45/569379445.db2.gz OFQOFDRQCQVHRT-UHFFFAOYSA-N 0 0 434.312 2.545 50 0 IFAARN COc1cc(C=CC(=O)NCc2c(C)nc3c(c(=O)[nH]n3C)c2C)ccc1OC(F)F ZINC000096035035 569380896 /nfs/dbraw/zinc/38/08/96/569380896.db2.gz RZASQNOOGCIQSZ-VURMDHGXSA-N 0 0 432.427 2.818 50 0 IFAARN O=S(=O)(/C=C\c1ccc(Cl)cc1)Nc1cc(N2CCCS2(=O)=O)ccc1O ZINC000096035335 569380973 /nfs/dbraw/zinc/38/09/73/569380973.db2.gz DDMHSZCZUNGDSP-FLIBITNWSA-N 0 0 428.919 2.998 50 0 IFAARN COc1ccc(/C=C/C(=O)NCCn2nc(-c3cccs3)n(C3CC3)c2=O)cc1OC ZINC000096096631 569381223 /nfs/dbraw/zinc/38/12/23/569381223.db2.gz IUEJYJKZPXYGFL-UXBLZVDNSA-N 0 0 440.525 2.955 50 0 IFAARN O=c1ccc(-n2ccc3ccccc32)nn1CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000096097975 569381521 /nfs/dbraw/zinc/38/15/21/569381521.db2.gz RJEDBOHEQGESSR-UHFFFAOYSA-N 0 0 434.930 2.881 50 0 IFAARN COc1cccc(-c2cc(C(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)n(C)n2)c1 ZINC000096099536 569381695 /nfs/dbraw/zinc/38/16/95/569381695.db2.gz FMLMVAUTLAXENQ-UHFFFAOYSA-N 0 0 443.525 2.908 50 0 IFAARN O=c1ccc(-n2ccc3ccccc32)nn1CCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000096103373 569381876 /nfs/dbraw/zinc/38/18/76/569381876.db2.gz ICACJQDBFPVBIL-UHFFFAOYSA-N 0 0 446.891 2.958 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c1 ZINC000096103506 569382004 /nfs/dbraw/zinc/38/20/04/569382004.db2.gz NFQLFAYCDRPUBX-INIZCTEOSA-N 0 0 445.946 2.594 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)c(Br)c1 ZINC000096105244 569382275 /nfs/dbraw/zinc/38/22/75/569382275.db2.gz VVJAXLOTIUUSPU-UHFFFAOYSA-N 0 0 442.321 2.983 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(C)cc2)C3=O)c1 ZINC000096105348 569382288 /nfs/dbraw/zinc/38/22/88/569382288.db2.gz TUZPASRUASYVJY-UHFFFAOYSA-N 0 0 437.496 2.739 50 0 IFAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4nn(C)c5ccccc54)CC3)C2=O)cc1 ZINC000096105543 569382397 /nfs/dbraw/zinc/38/23/97/569382397.db2.gz VMOUDEYPTPMWJX-UHFFFAOYSA-N 0 0 431.496 2.609 50 0 IFAARN COc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)n[nH]1 ZINC000096114129 569382736 /nfs/dbraw/zinc/38/27/36/569382736.db2.gz LTKKIDVNYGIBHJ-IBGZPJMESA-N 0 0 431.452 2.894 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cnc4cc(OC)ccc4c3)C2=O)cc1 ZINC000096115089 569383168 /nfs/dbraw/zinc/38/31/68/569383168.db2.gz WUOWKAKGGKFAOE-NRFANRHFSA-N 0 0 448.479 2.744 50 0 IFAARN COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)cc(OC)c1OC ZINC000096117132 569383891 /nfs/dbraw/zinc/38/38/91/569383891.db2.gz QHLDQBQXEHCYCJ-GOSISDBHSA-N 0 0 435.502 2.741 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3c(C)nn(C(C)C)c3C)C2=O)cc1 ZINC000096117172 569384005 /nfs/dbraw/zinc/38/40/05/569384005.db2.gz PURQXKQYTVCKKF-SFHVURJKSA-N 0 0 427.505 2.581 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)c1 ZINC000096121471 569385064 /nfs/dbraw/zinc/38/50/64/569385064.db2.gz FNUNRXNRFGRBSL-UHFFFAOYSA-N 0 0 442.541 2.820 50 0 IFAARN CC[C@@](CNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2)(OC)c1ccccc1 ZINC000096123814 569385267 /nfs/dbraw/zinc/38/52/67/569385267.db2.gz CYCUBIXGRQFTLW-VWLOTQADSA-N 0 0 435.524 2.919 50 0 IFAARN O=C(Nc1ccc(Br)cc1F)C1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124168 569385529 /nfs/dbraw/zinc/38/55/29/569385529.db2.gz DMIDSALKMXBXQZ-UHFFFAOYSA-N 0 0 446.284 2.814 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)NC(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC000096210622 569386508 /nfs/dbraw/zinc/38/65/08/569386508.db2.gz LIXBAAAIUMHHIR-CYBMUJFWSA-N 0 0 433.892 2.915 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)C2CCCC2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000096211394 569386770 /nfs/dbraw/zinc/38/67/70/569386770.db2.gz ZTVCFWNDVZRSTB-OALUTQOASA-N 0 0 448.560 2.597 50 0 IFAARN COc1cc([C@@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)NCc2ccccn2)cc(OC)c1OC ZINC000096211400 569386794 /nfs/dbraw/zinc/38/67/94/569386794.db2.gz AOKDKYOGEIXDDQ-RBUKOAKNSA-N 0 0 441.528 2.622 50 0 IFAARN CCCCc1nc(C)sc1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000096231818 569387589 /nfs/dbraw/zinc/38/75/89/569387589.db2.gz BITNUNGWTMWCMS-LJQANCHMSA-N 0 0 429.542 2.919 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000096232442 569387760 /nfs/dbraw/zinc/38/77/60/569387760.db2.gz ROXQNNLVHLOEAT-LZMFZKJZSA-N 0 0 446.551 2.745 50 0 IFAARN COc1ccc2cnn(CC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)c(=O)c2c1OC ZINC000096232406 569387762 /nfs/dbraw/zinc/38/77/62/569387762.db2.gz AIUNFFBNWYAMPV-FQEVSTJZSA-N 0 0 435.484 2.804 50 0 IFAARN Cc1ccc2c(c1)c(=O)n(-c1cccc(Cl)c1)c(=O)n2CC(=O)NCc1cccnc1 ZINC000096318026 569393648 /nfs/dbraw/zinc/39/36/48/569393648.db2.gz WNMYBEONQNWQGX-UHFFFAOYSA-N 0 0 434.883 2.826 50 0 IFAARN Cc1ccc2c(c1)c(=O)n(Cc1ccccc1)c(=O)n2[C@@H](C)C(=O)NCc1cccnc1 ZINC000096318323 569393852 /nfs/dbraw/zinc/39/38/52/569393852.db2.gz DNXTUVRDFYOVRB-SFHVURJKSA-N 0 0 428.492 2.792 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2sc1=O ZINC000096321932 569394260 /nfs/dbraw/zinc/39/42/60/569394260.db2.gz ORNBCXAMXWJGKV-UHFFFAOYSA-N 0 0 447.582 2.993 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)cc2sc1=O ZINC000096321933 569394300 /nfs/dbraw/zinc/39/43/00/569394300.db2.gz LWXYCDNNKMNFHD-UHFFFAOYSA-N 0 0 447.582 2.993 50 0 IFAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000096322233 569394504 /nfs/dbraw/zinc/39/45/04/569394504.db2.gz JJPSPMHIECHPSL-UHFFFAOYSA-N 0 0 448.932 2.882 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(F)cc5)nn4ccn3c2=O)cc1 ZINC000096322493 569394646 /nfs/dbraw/zinc/39/46/46/569394646.db2.gz AXRMRQCKEXNRKY-UHFFFAOYSA-N 0 0 432.415 2.597 50 0 IFAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1C ZINC000096323296 569395154 /nfs/dbraw/zinc/39/51/54/569395154.db2.gz PPKQCYHXAFHVDF-UHFFFAOYSA-N 0 0 432.590 2.964 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000096323396 569395197 /nfs/dbraw/zinc/39/51/97/569395197.db2.gz KDFUWGQSAWGNTD-UHFFFAOYSA-N 0 0 430.574 2.646 50 0 IFAARN COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)N1CCCCC1 ZINC000096324019 569395587 /nfs/dbraw/zinc/39/55/87/569395587.db2.gz FPCOQCSMGJEOBU-UHFFFAOYSA-N 0 0 444.513 2.688 50 0 IFAARN O=C(c1ccccc1Br)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000096324207 569395708 /nfs/dbraw/zinc/39/57/08/569395708.db2.gz WZGKBMGFPHYNGX-UHFFFAOYSA-N 0 0 439.313 2.957 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)cc1OC ZINC000096324719 569395914 /nfs/dbraw/zinc/39/59/14/569395914.db2.gz BUTLQLONKKVDEJ-INIZCTEOSA-N 0 0 435.484 2.980 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)cc1 ZINC000096324617 569395924 /nfs/dbraw/zinc/39/59/24/569395924.db2.gz VNNIPNNTSRAESH-UHFFFAOYSA-N 0 0 432.484 2.921 50 0 IFAARN COc1cc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)cc(OC)c1 ZINC000096324660 569395969 /nfs/dbraw/zinc/39/59/69/569395969.db2.gz HBJHCWASAKDPAJ-UHFFFAOYSA-N 0 0 435.484 2.980 50 0 IFAARN COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)cc1 ZINC000096324621 569396015 /nfs/dbraw/zinc/39/60/15/569396015.db2.gz ZMZIKJPTFPPOHG-UHFFFAOYSA-N 0 0 433.468 2.749 50 0 IFAARN COc1cc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)cc(OC)c1 ZINC000096324735 569396057 /nfs/dbraw/zinc/39/60/57/569396057.db2.gz IVEPJTUBOYQRGR-INIZCTEOSA-N 0 0 435.484 2.980 50 0 IFAARN O=C(c1cc(-c2ccncc2)n[nH]1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000096324874 569396141 /nfs/dbraw/zinc/39/61/41/569396141.db2.gz LXDLZIMBQAKJED-UHFFFAOYSA-N 0 0 440.301 2.832 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)cc1 ZINC000096324795 569396157 /nfs/dbraw/zinc/39/61/57/569396157.db2.gz GOYLNSBVMXTJDE-KRWDZBQOSA-N 0 0 432.484 2.921 50 0 IFAARN CC(C)c1ccc(-n2nc(N3CCN(C(=O)c4n[nH]c5c4CCCC5)CC3)ccc2=O)cc1 ZINC000096358613 569397533 /nfs/dbraw/zinc/39/75/33/569397533.db2.gz OMBSYPNVZBFAOH-UHFFFAOYSA-N 0 0 446.555 2.920 50 0 IFAARN Cc1cc(C)n(CCC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C(C)C)cc4)n3)CC2)n1 ZINC000096358623 569397561 /nfs/dbraw/zinc/39/75/61/569397561.db2.gz JESRNWAPHZSPOY-UHFFFAOYSA-N 0 0 448.571 2.908 50 0 IFAARN CCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3cc(C)ccc3C)CC2)c1=O ZINC000096396678 569399106 /nfs/dbraw/zinc/39/91/06/569399106.db2.gz YPRFNSZROJFMLT-UHFFFAOYSA-N 0 0 427.530 2.548 50 0 IFAARN CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccccc3Cl)CC2)c1=O ZINC000096396726 569399211 /nfs/dbraw/zinc/39/92/11/569399211.db2.gz ANKZVMLSJBPNFW-UHFFFAOYSA-N 0 0 447.948 2.975 50 0 IFAARN COc1cccc(CNC(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)c1 ZINC000096397102 569399326 /nfs/dbraw/zinc/39/93/26/569399326.db2.gz RESNUNSBNOHOCP-UHFFFAOYSA-N 0 0 442.516 2.553 50 0 IFAARN Cc1oc(C2CCN(C(=O)NCc3cccc(F)c3)CC2)nc1C(=O)N1CCOCC1 ZINC000096397107 569399349 /nfs/dbraw/zinc/39/93/49/569399349.db2.gz ZLHRFZUOYVHAHD-UHFFFAOYSA-N 0 0 430.480 2.684 50 0 IFAARN COc1cccc(N2CCN(C(=O)[C@H]3CCc4sc(C(=O)N(C)C)cc4C3)CC2)c1 ZINC000096398259 569399583 /nfs/dbraw/zinc/39/95/83/569399583.db2.gz DKXQRHMMLJNBCP-INIZCTEOSA-N 0 0 427.570 2.912 50 0 IFAARN O=C(c1cc2c(s1)CC[C@@H](C(=O)N1CCN(c3ccccc3)CC1)C2)N1CCOCC1 ZINC000096398471 569399657 /nfs/dbraw/zinc/39/96/57/569399657.db2.gz BZXPWUHSZVMALZ-GOSISDBHSA-N 0 0 439.581 2.674 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)cc(OC)c1 ZINC000096398427 569399685 /nfs/dbraw/zinc/39/96/85/569399685.db2.gz HQHBXJGQSIFDRU-CQSZACIVSA-N 0 0 430.526 2.981 50 0 IFAARN COc1cc(CN(CC(OC)OC)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000096576612 569401470 /nfs/dbraw/zinc/40/14/70/569401470.db2.gz LHFIPOQEWIBEIN-UHFFFAOYSA-N 0 0 439.530 2.831 50 0 IFAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CCO)C2)cc1 ZINC000097020205 569402754 /nfs/dbraw/zinc/40/27/54/569402754.db2.gz VVZPJTJTJAAVPD-QGZVFWFLSA-N 0 0 432.542 2.755 50 0 IFAARN Cc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2C(=O)N2CCN(C)CC2)c(Cl)c1 ZINC000096998483 569402815 /nfs/dbraw/zinc/40/28/15/569402815.db2.gz KFQYVTBFLGFCOJ-FQEVSTJZSA-N 0 0 447.988 2.933 50 0 IFAARN CCCC[C@@H](CC)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000096997130 569402846 /nfs/dbraw/zinc/40/28/46/569402846.db2.gz AIIOBDAUANPUFH-MJGOQNOKSA-N 0 0 425.595 2.548 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCc1cc(F)ccc1Br ZINC000097160136 569403109 /nfs/dbraw/zinc/40/31/09/569403109.db2.gz UIDAWKUKBGOQFM-YCPHGPKFSA-N 0 0 430.343 2.930 50 0 IFAARN Cc1c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2oc1C(=O)N1CCCC1 ZINC000002459760 569403522 /nfs/dbraw/zinc/40/35/22/569403522.db2.gz XUZDRAVWBOCAIC-UHFFFAOYSA-N 0 0 434.514 2.505 50 0 IFAARN O=C(c1ccc2nsnc2c1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000225544487 569404042 /nfs/dbraw/zinc/40/40/42/569404042.db2.gz VYQGBAZEULQYDK-UHFFFAOYSA-N 0 0 438.488 2.799 50 0 IFAARN Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)o1 ZINC000002475052 569404437 /nfs/dbraw/zinc/40/44/37/569404437.db2.gz DAFSOBKZZZOOLC-UHFFFAOYSA-N 0 0 433.511 2.985 50 0 IFAARN CCOC(=O)c1c(C)oc2ncn(CC(=O)NCCCSc3ccccc3)c(=O)c21 ZINC000027991100 569405596 /nfs/dbraw/zinc/40/55/96/569405596.db2.gz IFJRASANOWCQMB-UHFFFAOYSA-N 0 0 429.498 2.773 50 0 IFAARN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](CN3C(=O)COC3=O)c3ccccc3)cc2)co1 ZINC000225639102 569406327 /nfs/dbraw/zinc/40/63/27/569406327.db2.gz GXKFCPJBBCZAJQ-SFHVURJKSA-N 0 0 441.465 2.648 50 0 IFAARN O=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000028050437 569406700 /nfs/dbraw/zinc/40/67/00/569406700.db2.gz WGCKKEQCKHZNQL-UHFFFAOYSA-N 0 0 435.468 2.934 50 0 IFAARN COc1ccc(-c2nnc(COC(=O)CNC(=O)c3ccc(Br)cc3)o2)cc1 ZINC000028079986 569407272 /nfs/dbraw/zinc/40/72/72/569407272.db2.gz DZVSMRAZGVOIRH-UHFFFAOYSA-N 0 0 446.257 2.981 50 0 IFAARN CCOC(=O)C1CCC(CNC(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)CC1 ZINC000225737075 569407862 /nfs/dbraw/zinc/40/78/62/569407862.db2.gz HWYUYQDGWMJVIJ-UHFFFAOYSA-N 0 0 443.592 2.993 50 0 IFAARN COc1ccc(/C=C/C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1OC ZINC000225742979 569407999 /nfs/dbraw/zinc/40/79/99/569407999.db2.gz DKFAKJLSXVKIAY-CSKARUKUSA-N 0 0 447.539 2.987 50 0 IFAARN COc1ccc(NC(=S)N[C@H](NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)cc1 ZINC000028293906 569409669 /nfs/dbraw/zinc/40/96/69/569409669.db2.gz XLPLUIJTUOVRGJ-GFCCVEGCSA-N 0 0 441.768 2.720 50 0 IFAARN COc1ccc(-n2c(S[C@@H](C)C(=O)NC(N)=O)nc3ccccc3c2=O)cc1Cl ZINC000002619494 569410748 /nfs/dbraw/zinc/41/07/48/569410748.db2.gz HBLYCOCMVRPVGP-JTQLQIEISA-N 0 0 432.889 2.723 50 0 IFAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCC(=O)NC(=O)NC1CCCCC1 ZINC000002624142 569411483 /nfs/dbraw/zinc/41/14/83/569411483.db2.gz MTLUCCDYRHQDDN-AWEZNQCLSA-N 0 0 432.546 2.855 50 0 IFAARN O=C(COC(=O)c1cccnc1SCC(=O)N1CCCC1)c1ccc2c(c1)OCO2 ZINC000215690528 569412261 /nfs/dbraw/zinc/41/22/61/569412261.db2.gz JIXLYMXCXHCFEJ-UHFFFAOYSA-N 0 0 428.466 2.565 50 0 IFAARN COc1cc(NC(=O)COC(=O)c2nn(C(C)C)c(=O)c3ccccc32)cc(OC)c1 ZINC000002641042 569413635 /nfs/dbraw/zinc/41/36/35/569413635.db2.gz VUXDJWGVHRQWGI-UHFFFAOYSA-N 0 0 425.441 2.790 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)c2ccc(Br)cc2)c1 ZINC000002651457 569414856 /nfs/dbraw/zinc/41/48/56/569414856.db2.gz RGOJSGOXXRCIAL-LLVKDONJSA-N 0 0 426.288 2.785 50 0 IFAARN O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000002658798 569415711 /nfs/dbraw/zinc/41/57/11/569415711.db2.gz WNSBQUZJEKRGKI-HXUWFJFHSA-N 0 0 446.459 2.938 50 0 IFAARN O=C(CCn1c(=O)c2sccc2n(Cc2ccccc2F)c1=O)NCc1ccco1 ZINC000002687540 569416847 /nfs/dbraw/zinc/41/68/47/569416847.db2.gz XYWDJATZBRAWOH-UHFFFAOYSA-N 0 0 427.457 2.712 50 0 IFAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000230059559 569419704 /nfs/dbraw/zinc/41/97/04/569419704.db2.gz MAFUZSHVZRATHQ-HZPDHXFCSA-N 0 0 444.340 2.871 50 0 IFAARN CCN(CC)c1nc(O)c(CC(=O)Nc2ccc(I)cc2)s1 ZINC000028757011 569420115 /nfs/dbraw/zinc/42/01/15/569420115.db2.gz GCQBJVIWDMZSQB-LBPRGKRZSA-N 0 0 431.299 2.960 50 0 IFAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000028751944 569420161 /nfs/dbraw/zinc/42/01/61/569420161.db2.gz RKGXECVHGCJWCG-FDDCHVKYSA-N 0 0 436.556 2.660 50 0 IFAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000028751942 569420195 /nfs/dbraw/zinc/42/01/95/569420195.db2.gz RKGXECVHGCJWCG-MBSDFSHPSA-N 0 0 436.556 2.660 50 0 IFAARN CCn1ncc(NC(=O)c2ccc(COc3ccc(C(=O)OC)cc3)o2)c1C(=O)N(C)C ZINC000002805378 569422673 /nfs/dbraw/zinc/42/26/73/569422673.db2.gz DYPHBVWYWMJBIR-UHFFFAOYSA-N 0 0 440.456 2.816 50 0 IFAARN COc1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc(Cl)c1OCC(N)=O ZINC000029050374 569425171 /nfs/dbraw/zinc/42/51/71/569425171.db2.gz IIRHQKBBOLQDHG-MRXNPFEDSA-N 0 0 440.327 2.899 50 0 IFAARN Cc1sc2ncn(CC(=O)NCC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1C ZINC000002924794 569425532 /nfs/dbraw/zinc/42/55/32/569425532.db2.gz FZAPAAKHCBBEQY-UHFFFAOYSA-N 0 0 438.431 2.849 50 0 IFAARN CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1C)C(=O)N1CCOCC1 ZINC000002926981 569425771 /nfs/dbraw/zinc/42/57/71/569425771.db2.gz IELUMLYBJFLCRB-INIZCTEOSA-N 0 0 426.546 2.574 50 0 IFAARN Cc1nnc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3cccc(Cl)c3C)c(N)c1-2 ZINC000002927216 569425774 /nfs/dbraw/zinc/42/57/74/569425774.db2.gz DODKOGMWUAJBEA-ZDUSSCGKSA-N 0 0 446.964 2.886 50 0 IFAARN CCCNC(=O)Cn1cnc2sc(C(=O)Nc3ccccc3OCC)c(C)c2c1=O ZINC000002937434 569426229 /nfs/dbraw/zinc/42/62/29/569426229.db2.gz HWRCVRDQWLQTDW-UHFFFAOYSA-N 0 0 428.514 2.944 50 0 IFAARN CCCNC(=O)Cn1cnc2sc(C(=O)Nc3cccc(NC(C)=O)c3)c(C)c2c1=O ZINC000002937437 569426262 /nfs/dbraw/zinc/42/62/62/569426262.db2.gz XLUZPZBZJHUKNV-UHFFFAOYSA-N 0 0 441.513 2.503 50 0 IFAARN Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccc4nc(C)sc4c3)ncn2)n1 ZINC000056903921 569427520 /nfs/dbraw/zinc/42/75/20/569427520.db2.gz MCBWUONKRJZRJT-UHFFFAOYSA-N 0 0 443.558 2.588 50 0 IFAARN COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000056906386 569427569 /nfs/dbraw/zinc/42/75/69/569427569.db2.gz WSYMPVTYALUIDZ-UHFFFAOYSA-N 0 0 439.285 2.821 50 0 IFAARN CCCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000056945449 569427946 /nfs/dbraw/zinc/42/79/46/569427946.db2.gz IEYWMZCNSPVHGX-HXUWFJFHSA-N 0 0 430.524 2.705 50 0 IFAARN O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000057003943 569429114 /nfs/dbraw/zinc/42/91/14/569429114.db2.gz MGKLGDNOKSXQFM-UHFFFAOYSA-N 0 0 429.464 2.686 50 0 IFAARN COc1ccc(N2C(=O)CN(C3CCCCCC3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000056998174 569429149 /nfs/dbraw/zinc/42/91/49/569429149.db2.gz OAICUUDHJRMJRG-ROUUACIJSA-N 0 0 426.966 2.886 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C(C)C)cc1 ZINC000029317279 569429597 /nfs/dbraw/zinc/42/95/97/569429597.db2.gz NYDZFCRQVUNKMA-OAQYLSRUSA-N 0 0 441.503 2.573 50 0 IFAARN O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ncccc21)Nc1ccccc1C(F)(F)F ZINC000057293573 569430432 /nfs/dbraw/zinc/43/04/32/569430432.db2.gz GFDABUVXLGIKFO-UHFFFAOYSA-N 0 0 444.369 2.857 50 0 IFAARN O=c1oc2ccccc2n1CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000057292120 569430540 /nfs/dbraw/zinc/43/05/40/569430540.db2.gz VWWXISIZTRTZRN-UHFFFAOYSA-N 0 0 437.887 2.574 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3C[C@H](C)O[C@@H](C)C3)C2=O)cc1 ZINC000227003483 569430956 /nfs/dbraw/zinc/43/09/56/569430956.db2.gz MEGUYTZYQCPVGH-XEZPLFJOSA-N 0 0 436.555 2.623 50 0 IFAARN O=C(CN(Cc1cccs1)C[C@H]1CCCO1)N1CCN(C(=O)c2cccs2)CC1 ZINC000057347715 569431283 /nfs/dbraw/zinc/43/12/83/569431283.db2.gz WAFGNKAFZVIYSL-QGZVFWFLSA-N 0 0 433.599 2.775 50 0 IFAARN CN(CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2s1 ZINC000057350743 569431303 /nfs/dbraw/zinc/43/13/03/569431303.db2.gz STOWUAHQLDEXHG-QGZVFWFLSA-N 0 0 429.567 2.948 50 0 IFAARN CN(C(=O)CN1CCN(c2ccccc2O)CC1)c1ccccc1C(=O)NCc1ccco1 ZINC000057335964 569431322 /nfs/dbraw/zinc/43/13/22/569431322.db2.gz KIRKTGRFRSPRBY-UHFFFAOYSA-N 0 0 448.523 2.700 50 0 IFAARN COc1ccc(OCc2noc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000029660813 569431783 /nfs/dbraw/zinc/43/17/83/569431783.db2.gz PVUKBTMJNLWTRD-UHFFFAOYSA-N 0 0 426.448 2.754 50 0 IFAARN CCOc1cc2[nH]c(=O)n(CCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c2cc1OCC ZINC000002952505 569432249 /nfs/dbraw/zinc/43/22/49/569432249.db2.gz GZSOLRYZYCKZRE-BFYDXBDKSA-N 0 0 431.533 2.818 50 0 IFAARN CCOc1cc2[nH]c(=O)n(CCCC(=O)NCCc3ccccc3)c(=O)c2cc1OCC ZINC000002952443 569432306 /nfs/dbraw/zinc/43/23/06/569432306.db2.gz ZWBYPYYCSPJXCW-UHFFFAOYSA-N 0 0 439.512 2.626 50 0 IFAARN CCOC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NC3CCCCC3)C(=O)N21 ZINC000002967975 569432967 /nfs/dbraw/zinc/43/29/67/569432967.db2.gz YNPXAMJZDOQDLI-QGZVFWFLSA-N 0 0 442.541 2.780 50 0 IFAARN CC(=O)[C@@H](C)n1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000057392151 569433364 /nfs/dbraw/zinc/43/33/64/569433364.db2.gz VWKIXXLRTVYOGF-QGZVFWFLSA-N 0 0 445.523 2.776 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415060 569434000 /nfs/dbraw/zinc/43/40/00/569434000.db2.gz RMWSOUBTYDKUBO-NRFANRHFSA-N 0 0 440.931 2.943 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000057416044 569434197 /nfs/dbraw/zinc/43/41/97/569434197.db2.gz UBSZEGGYLIFLGX-FQEVSTJZSA-N 0 0 426.542 2.660 50 0 IFAARN COCCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2ccsc2c1=O ZINC000057425782 569434474 /nfs/dbraw/zinc/43/44/74/569434474.db2.gz VNFWWCPGRPWRDB-UHFFFAOYSA-N 0 0 435.527 2.852 50 0 IFAARN COCCn1c(SCC(=O)NCc2cccc(OC)c2OC)nc2ccsc2c1=O ZINC000057425823 569434477 /nfs/dbraw/zinc/43/44/77/569434477.db2.gz HXFDIEKBIUHUCE-UHFFFAOYSA-N 0 0 449.554 2.530 50 0 IFAARN COCCn1c(=O)c2sccc2nc1SCC(=O)N1CCOc2ccc(C)cc21 ZINC000057478547 569435861 /nfs/dbraw/zinc/43/58/61/569435861.db2.gz IKNZXNKCPYTIHY-UHFFFAOYSA-N 0 0 431.539 2.931 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c2=O)c1 ZINC000057486005 569436378 /nfs/dbraw/zinc/43/63/78/569436378.db2.gz JKGNKWNHUVAWIY-HZPDHXFCSA-N 0 0 441.553 2.786 50 0 IFAARN Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O ZINC000057489815 569437084 /nfs/dbraw/zinc/43/70/84/569437084.db2.gz ZXBMVMVUPWPSLJ-UHFFFAOYSA-N 0 0 435.461 2.890 50 0 IFAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccc4c(c3)OCO4)c2=O)c1 ZINC000057490184 569437148 /nfs/dbraw/zinc/43/71/48/569437148.db2.gz BHFUQDFVEMUUGP-UHFFFAOYSA-N 0 0 449.488 2.567 50 0 IFAARN COc1cccc(CNC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3F)c2=O)c1 ZINC000057490541 569437188 /nfs/dbraw/zinc/43/71/88/569437188.db2.gz TYEAXXQZOCLVIR-UHFFFAOYSA-N 0 0 439.468 2.678 50 0 IFAARN O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)N1CCc2ccccc21 ZINC000057504059 569438158 /nfs/dbraw/zinc/43/81/58/569438158.db2.gz KJPZXOVNMWVOIK-UHFFFAOYSA-N 0 0 438.447 2.802 50 0 IFAARN Cc1ccc(CNC(=O)Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)cc1 ZINC000057503849 569438167 /nfs/dbraw/zinc/43/81/67/569438167.db2.gz OGOAYJXFGPRYNJ-UHFFFAOYSA-N 0 0 440.463 2.838 50 0 IFAARN Cc1cc2nn(CC(=O)Nc3ccc(F)cc3)c(=O)n2c(N2CCc3ccccc3C2)n1 ZINC000057505838 569438170 /nfs/dbraw/zinc/43/81/70/569438170.db2.gz RPLFUQZRIKKFRZ-UHFFFAOYSA-N 0 0 432.459 2.540 50 0 IFAARN COc1cccc(CNC(=O)Cn2c(=O)cc(C)nc2Nc2cccc(F)c2)c1OC ZINC000057506308 569438253 /nfs/dbraw/zinc/43/82/53/569438253.db2.gz HQJYZFHBUVHDJS-UHFFFAOYSA-N 0 0 426.448 2.768 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(C)nc1N1CCc2ccccc2C1 ZINC000057506482 569438257 /nfs/dbraw/zinc/43/82/57/569438257.db2.gz ULEHQQWEVQBVFQ-UHFFFAOYSA-N 0 0 432.480 2.540 50 0 IFAARN COc1ccc(C)cc1NC(=O)CSc1ncnc2nc(N3CCOCC3)sc21 ZINC000057507094 569438304 /nfs/dbraw/zinc/43/83/04/569438304.db2.gz MMXWNGAWHCIGCQ-UHFFFAOYSA-N 0 0 431.543 2.971 50 0 IFAARN CC(=O)Nc1ccc2c(COC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc(=O)oc2c1 ZINC000057527903 569439204 /nfs/dbraw/zinc/43/92/04/569439204.db2.gz KLXVAJQTKSLUQC-UHFFFAOYSA-N 0 0 434.404 2.762 50 0 IFAARN CCOc1ccc(NCC(=O)NCCc2ccccc2C)cc1S(=O)(=O)N1CCCC1 ZINC000029936967 569439557 /nfs/dbraw/zinc/43/95/57/569439557.db2.gz YCFVAMDVWDYSFL-UHFFFAOYSA-N 0 0 445.585 2.949 50 0 IFAARN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Cc3csc(N4CCCC4=O)n3)C[C@H]21 ZINC000230242200 569440465 /nfs/dbraw/zinc/44/04/65/569440465.db2.gz YGVIWKXTFDOOSJ-USXIJHARSA-N 0 0 448.589 2.964 50 0 IFAARN Cc1ccc(C(=O)NCCNC(=O)NCc2ccc(C(=O)N(C)C(C)C)cc2)cc1F ZINC000057861417 569442176 /nfs/dbraw/zinc/44/21/76/569442176.db2.gz HOMDANPISDQCKB-UHFFFAOYSA-N 0 0 428.508 2.844 50 0 IFAARN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC ZINC000003237701 569442503 /nfs/dbraw/zinc/44/25/03/569442503.db2.gz XECBQNYKAPWXKP-HNNXBMFYSA-N 0 0 439.468 2.686 50 0 IFAARN COc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC ZINC000003237700 569442514 /nfs/dbraw/zinc/44/25/14/569442514.db2.gz XECBQNYKAPWXKP-OAHLLOKOSA-N 0 0 439.468 2.686 50 0 IFAARN COC(=O)c1cc(CN(C)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)oc1C ZINC000057893223 569442574 /nfs/dbraw/zinc/44/25/74/569442574.db2.gz DACJFZJHOACJOM-UHFFFAOYSA-N 0 0 449.467 2.896 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003246675 569442735 /nfs/dbraw/zinc/44/27/35/569442735.db2.gz ONCKYQIADQTIHV-KDOFPFPSSA-N 0 0 441.505 2.916 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1cccs1 ZINC000003247211 569442810 /nfs/dbraw/zinc/44/28/10/569442810.db2.gz JXEFVZKNDJBSDG-UHFFFAOYSA-N 0 0 436.555 2.786 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003246674 569442750 /nfs/dbraw/zinc/44/27/50/569442750.db2.gz ONCKYQIADQTIHV-KSSFIOAISA-N 0 0 441.505 2.916 50 0 IFAARN COC(=O)c1ccccc1S(=O)(=O)Oc1c(Br)cc(C=O)cc1OC ZINC000003250663 569442926 /nfs/dbraw/zinc/44/29/26/569442926.db2.gz ZGSYNPXGOXVHDT-UHFFFAOYSA-N 0 0 429.244 2.825 50 0 IFAARN CCn1c2ccc(OC)cc2c(N2CCCC2=O)c1C(=O)NCCCN1CCCC1=O ZINC000015681882 569443613 /nfs/dbraw/zinc/44/36/13/569443613.db2.gz HBIZLJZYMHYLAY-UHFFFAOYSA-N 0 0 426.517 2.539 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](CC)(c3ccc(F)cc3)C2=O)c1C ZINC000003280681 569443925 /nfs/dbraw/zinc/44/39/25/569443925.db2.gz CNSDVESLNFIRSR-QFIPXVFZSA-N 0 0 429.448 2.987 50 0 IFAARN C[C@H]1CCc2c(sc3[nH]c(COC(=O)c4nn(C)c(=O)c5ccccc54)nc(=O)c23)C1 ZINC000003290890 569444418 /nfs/dbraw/zinc/44/44/18/569444418.db2.gz FOKDMFWDQVWWAS-NSHDSACASA-N 0 0 436.493 2.713 50 0 IFAARN COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccccc2OC)cc1 ZINC000003293042 569444470 /nfs/dbraw/zinc/44/44/70/569444470.db2.gz JMXVRFCXOVVSJW-UHFFFAOYSA-N 0 0 440.525 2.902 50 0 IFAARN COC(=O)c1c(N)n(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c2nc3ccccc3nc12 ZINC000003293413 569444513 /nfs/dbraw/zinc/44/45/13/569444513.db2.gz BHJRPRLUQIPGDL-UHFFFAOYSA-N 0 0 439.497 2.501 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1cc2ccccc2o1 ZINC000003297217 569444792 /nfs/dbraw/zinc/44/47/92/569444792.db2.gz DCKCSANJTKROTD-UHFFFAOYSA-N 0 0 443.477 2.802 50 0 IFAARN O=C(CSc1nnc(NCc2ccccc2)s1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003297156 569444807 /nfs/dbraw/zinc/44/48/07/569444807.db2.gz QBEIYCJAPYZOQW-UHFFFAOYSA-N 0 0 443.554 2.820 50 0 IFAARN CCOC(=O)CCCNC(=O)CSc1nnc(-c2cc(Cl)ccc2Cl)n1N ZINC000003302294 569445059 /nfs/dbraw/zinc/44/50/59/569445059.db2.gz OPOXJOZECKYLPH-UHFFFAOYSA-N 0 0 432.333 2.517 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1OCC ZINC000003301642 569445066 /nfs/dbraw/zinc/44/50/66/569445066.db2.gz XTOSXICPWIDIQI-INIZCTEOSA-N 0 0 440.496 2.735 50 0 IFAARN CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000003303023 569445123 /nfs/dbraw/zinc/44/51/23/569445123.db2.gz UEUVLHFBAASLRP-KRWDZBQOSA-N 0 0 447.900 2.820 50 0 IFAARN CCOc1ccc(CCNC(=O)CSc2nnc(-c3cccs3)n2N)cc1OCC ZINC000003309424 569445344 /nfs/dbraw/zinc/44/53/44/569445344.db2.gz AETWERCUXDYKNP-UHFFFAOYSA-N 0 0 447.586 2.969 50 0 IFAARN NC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2N)cc1 ZINC000003314263 569445666 /nfs/dbraw/zinc/44/56/66/569445666.db2.gz VBTNHKGJOSLJDG-UHFFFAOYSA-N 0 0 432.509 2.566 50 0 IFAARN COC(=O)c1cc(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)cc(C(=O)OC)c1 ZINC000003316486 569445736 /nfs/dbraw/zinc/44/57/36/569445736.db2.gz OARTXODRGOALCZ-UHFFFAOYSA-N 0 0 441.770 2.987 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1 ZINC000003318726 569445838 /nfs/dbraw/zinc/44/58/38/569445838.db2.gz FWCIWNRKQFEZLT-UHFFFAOYSA-N 0 0 436.555 2.948 50 0 IFAARN COc1cc(CC(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc(OC)c1OC ZINC000003322171 569446035 /nfs/dbraw/zinc/44/60/35/569446035.db2.gz YZUROXSTIDNWRZ-CYBMUJFWSA-N 0 0 430.457 2.784 50 0 IFAARN CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1 ZINC000003327546 569446268 /nfs/dbraw/zinc/44/62/68/569446268.db2.gz KFXGGKWJUDLCRB-MRXNPFEDSA-N 0 0 440.518 2.636 50 0 IFAARN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NCc1ccccc1 ZINC000003327816 569446296 /nfs/dbraw/zinc/44/62/96/569446296.db2.gz WOOXXNZJPFFUCY-QFIPXVFZSA-N 0 0 442.471 2.754 50 0 IFAARN O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000003350311 569447300 /nfs/dbraw/zinc/44/73/00/569447300.db2.gz ZEWPLCYEOMUGNE-UHFFFAOYSA-N 0 0 446.362 2.566 50 0 IFAARN COc1ccc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000003352651 569447469 /nfs/dbraw/zinc/44/74/69/569447469.db2.gz KBNYENSTAKUXOM-KRWDZBQOSA-N 0 0 448.541 2.778 50 0 IFAARN Cc1cc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1CCC(C)C ZINC000003357745 569447727 /nfs/dbraw/zinc/44/77/27/569447727.db2.gz LOAKAUBIUXUJCD-UHFFFAOYSA-N 0 0 425.485 2.580 50 0 IFAARN O=C(COC(=O)c1cc(F)c(F)cc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003358376 569447743 /nfs/dbraw/zinc/44/77/43/569447743.db2.gz QBGAJNZQCYPVIG-UHFFFAOYSA-N 0 0 426.759 2.895 50 0 IFAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccc(I)c1)C2=O ZINC000003362658 569447962 /nfs/dbraw/zinc/44/79/62/569447962.db2.gz XHPQTFLDSQYFNS-GTNSWQLSSA-N 0 0 441.269 2.730 50 0 IFAARN COc1ccc(-n2cnnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000003365233 569448105 /nfs/dbraw/zinc/44/81/05/569448105.db2.gz DLVGILINRPEKTK-UHFFFAOYSA-N 0 0 429.527 2.656 50 0 IFAARN O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1 ZINC000058136269 569448381 /nfs/dbraw/zinc/44/83/81/569448381.db2.gz VZTWQJDXAMLVBA-QHCPKHFHSA-N 0 0 429.524 2.700 50 0 IFAARN O=C(NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccccc1 ZINC000058136837 569448477 /nfs/dbraw/zinc/44/84/77/569448477.db2.gz HWAFGRSETZCYCQ-HSZRJFAPSA-N 0 0 447.514 2.839 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CNS(=O)(=O)c1ccc3ccccc3c1)CC2 ZINC000003378238 569448701 /nfs/dbraw/zinc/44/87/01/569448701.db2.gz PTGIFXWQZUBWLP-UHFFFAOYSA-N 0 0 440.521 2.720 50 0 IFAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)NCc1ccccc1Cl)C2=O ZINC000003382077 569448870 /nfs/dbraw/zinc/44/88/70/569448870.db2.gz QNHRQFZMDRNJFH-RCDICMHDSA-N 0 0 449.935 2.636 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000003384137 569448898 /nfs/dbraw/zinc/44/88/98/569448898.db2.gz IEXMWSLUFNKCKY-UHFFFAOYSA-N 0 0 427.482 2.712 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1C ZINC000003391440 569449297 /nfs/dbraw/zinc/44/92/97/569449297.db2.gz RMMGXSBJHGTGKC-PSLXWICFSA-N 0 0 429.517 2.922 50 0 IFAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000003396089 569449431 /nfs/dbraw/zinc/44/94/31/569449431.db2.gz NPDIDNVVSOJPAV-MRXNPFEDSA-N 0 0 431.949 2.721 50 0 IFAARN Cc1ccc(C)c(-c2nnc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccccc32)c1 ZINC000003417242 569450257 /nfs/dbraw/zinc/45/02/57/569450257.db2.gz HHIBWHZUVWEYSY-MRXNPFEDSA-N 0 0 425.510 2.596 50 0 IFAARN O=C(COC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc(Cl)cn1 ZINC000003418137 569450328 /nfs/dbraw/zinc/45/03/28/569450328.db2.gz HYNVVJIGQSVQHW-UHFFFAOYSA-N 0 0 428.828 2.891 50 0 IFAARN O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003421475 569450443 /nfs/dbraw/zinc/45/04/43/569450443.db2.gz HEQVORUGKWWINS-UHFFFAOYSA-N 0 0 436.342 2.753 50 0 IFAARN CCC(CC)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003431778 569450871 /nfs/dbraw/zinc/45/08/71/569450871.db2.gz QDKSGMQOAXUAGU-UHFFFAOYSA-N 0 0 430.526 2.900 50 0 IFAARN CC[C@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000003431500 569450877 /nfs/dbraw/zinc/45/08/77/569450877.db2.gz BMCAAMLCQWKRLN-HOTGVXAUSA-N 0 0 430.526 2.898 50 0 IFAARN CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003433246 569450889 /nfs/dbraw/zinc/45/08/89/569450889.db2.gz UVCCSEJCBMXWSH-UHFFFAOYSA-N 0 0 449.598 2.701 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCCc2ccccc21 ZINC000003433907 569450986 /nfs/dbraw/zinc/45/09/86/569450986.db2.gz TVIVWSPHSYVWIR-OAQYLSRUSA-N 0 0 442.537 2.822 50 0 IFAARN COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 ZINC000030939110 569451417 /nfs/dbraw/zinc/45/14/17/569451417.db2.gz LBJIOGYKBVGTKW-QGZVFWFLSA-N 0 0 438.889 2.601 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)Nc1ccc2c(c1)OCCO2 ZINC000003450407 569451593 /nfs/dbraw/zinc/45/15/93/569451593.db2.gz FIFVCTLOSUOLGF-UHFFFAOYSA-N 0 0 449.463 2.690 50 0 IFAARN O=C(OCc1c(F)cccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000003463911 569451920 /nfs/dbraw/zinc/45/19/20/569451920.db2.gz ZSCQJUXHCJIWBK-UHFFFAOYSA-N 0 0 431.844 2.996 50 0 IFAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C ZINC000003474587 569452158 /nfs/dbraw/zinc/45/21/58/569452158.db2.gz DWXRVZBTWQGWAR-UHFFFAOYSA-N 0 0 427.482 2.549 50 0 IFAARN C[C@H](C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1)N1C(=O)c2ccccc2C1=O ZINC000003479963 569452255 /nfs/dbraw/zinc/45/22/55/569452255.db2.gz ABBWKBNPWNGZBH-LLVKDONJSA-N 0 0 436.342 2.752 50 0 IFAARN CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000003490526 569452524 /nfs/dbraw/zinc/45/25/24/569452524.db2.gz NXLLPEAIAUBRCO-UHFFFAOYSA-N 0 0 432.889 2.595 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 ZINC000003490500 569452528 /nfs/dbraw/zinc/45/25/28/569452528.db2.gz HKNQHTCVPAYRJY-UHFFFAOYSA-N 0 0 432.420 2.615 50 0 IFAARN O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000003493474 569452605 /nfs/dbraw/zinc/45/26/05/569452605.db2.gz UOCHJWRAJJMXKU-UHFFFAOYSA-N 0 0 428.905 2.939 50 0 IFAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000003498171 569452658 /nfs/dbraw/zinc/45/26/58/569452658.db2.gz FNYOPQLZBYUBGH-UHFFFAOYSA-N 0 0 447.296 2.753 50 0 IFAARN COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000003497975 569452690 /nfs/dbraw/zinc/45/26/90/569452690.db2.gz SGVAGWSOBHOUQV-UHFFFAOYSA-N 0 0 429.860 2.942 50 0 IFAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)Nc1ccccc1I ZINC000003519200 569453145 /nfs/dbraw/zinc/45/31/45/569453145.db2.gz HSSWQVFXISKWAA-UHFFFAOYSA-N 0 0 448.216 2.928 50 0 IFAARN COc1ccc(Br)cc1CCC(=O)N1CC[C@@H](N2C(=O)CSC2=O)C1 ZINC000217783139 569453228 /nfs/dbraw/zinc/45/32/28/569453228.db2.gz ZEOSXADGBPIJCI-CYBMUJFWSA-N 0 0 427.320 2.687 50 0 IFAARN CCCCn1c(N)c(N(CC)C(=O)COc2ccc(Cl)cc2Cl)c(=O)[nH]c1=O ZINC000003528685 569453348 /nfs/dbraw/zinc/45/33/48/569453348.db2.gz KJDLFICJPIAHQI-UHFFFAOYSA-N 0 0 429.304 2.658 50 0 IFAARN CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000003536514 569453576 /nfs/dbraw/zinc/45/35/76/569453576.db2.gz JRBKCNNBHYBXPU-UHFFFAOYSA-N 0 0 432.452 2.990 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)cc1 ZINC000003547280 569453666 /nfs/dbraw/zinc/45/36/66/569453666.db2.gz JHOXPYVTUBFGOC-UHFFFAOYSA-N 0 0 432.542 2.614 50 0 IFAARN O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(=O)n2ccsc2n1 ZINC000003550224 569453705 /nfs/dbraw/zinc/45/37/05/569453705.db2.gz USJPEFOEWYHEJW-HSZRJFAPSA-N 0 0 430.489 2.946 50 0 IFAARN C[C@H](NC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc2c(c1)OCCO2 ZINC000031127778 569453876 /nfs/dbraw/zinc/45/38/76/569453876.db2.gz CBRMCVVELFZARQ-BBWFWOEESA-N 0 0 431.533 2.576 50 0 IFAARN NC(=O)COc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)cc1 ZINC000031184337 569454566 /nfs/dbraw/zinc/45/45/66/569454566.db2.gz FZDORLXDXDSOQG-UHFFFAOYSA-N 0 0 428.448 2.561 50 0 IFAARN COc1ccnc(N2CCC(C(=O)O[C@@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)n1 ZINC000031180512 569454588 /nfs/dbraw/zinc/45/45/88/569454588.db2.gz LMTVZODTBLTUGD-LBPRGKRZSA-N 0 0 443.529 2.921 50 0 IFAARN O=C(NCc1ccc(N2CCCC2)nc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000031315252 569455730 /nfs/dbraw/zinc/45/57/30/569455730.db2.gz ZRLYDSQYALSXRE-SFHVURJKSA-N 0 0 446.548 2.538 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000031312923 569455740 /nfs/dbraw/zinc/45/57/40/569455740.db2.gz CFCAVCCKYFHWLU-UHFFFAOYSA-N 0 0 442.585 2.707 50 0 IFAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2C)cc1 ZINC000003657889 569455790 /nfs/dbraw/zinc/45/57/90/569455790.db2.gz RDPFKHQWRGXTBD-FCHUYYIVSA-N 0 0 436.508 2.971 50 0 IFAARN CCOc1ncccc1CNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000031325478 569455836 /nfs/dbraw/zinc/45/58/36/569455836.db2.gz RTVGEXTVRKTOCA-UHFFFAOYSA-N 0 0 431.290 2.659 50 0 IFAARN CN(C(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O)[C@H]1CCCc2ccccc21 ZINC000031452114 569456507 /nfs/dbraw/zinc/45/65/07/569456507.db2.gz KBEZPCQULNHILH-INIZCTEOSA-N 0 0 446.429 2.650 50 0 IFAARN Cn1c(=O)n(Cc2nc(-c3ccc(Cl)cc3)no2)c(=O)c2ccc(C(F)(F)F)nc21 ZINC000031452155 569456511 /nfs/dbraw/zinc/45/65/11/569456511.db2.gz RXBVVINDZKBTJY-UHFFFAOYSA-N 0 0 437.765 2.866 50 0 IFAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1=O)C2=O ZINC000031495860 569456555 /nfs/dbraw/zinc/45/65/55/569456555.db2.gz TXDZFLLPGZMCMP-WNSKOXEYSA-N 0 0 426.517 2.889 50 0 IFAARN CCOc1ccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)NCc2ccco2)cc1 ZINC000003853856 569456646 /nfs/dbraw/zinc/45/66/46/569456646.db2.gz BKWZZNCWWTVVQA-UHFFFAOYSA-N 0 0 438.513 2.937 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000670453106 569456937 /nfs/dbraw/zinc/45/69/37/569456937.db2.gz XOFLJZPGGOBOLZ-KRWDZBQOSA-N 0 0 430.448 2.532 50 0 IFAARN CCOc1ccc(Br)cc1S(=O)(=O)N(CCC(N)=O)c1ccccc1 ZINC000031669112 569456996 /nfs/dbraw/zinc/45/69/96/569456996.db2.gz VKOOSUSGGFCHMK-UHFFFAOYSA-N 0 0 427.320 2.919 50 0 IFAARN COc1cc(CNC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1OC ZINC000058823129 569457132 /nfs/dbraw/zinc/45/71/32/569457132.db2.gz CXGFYBMBMUBNTB-UHFFFAOYSA-N 0 0 426.473 2.832 50 0 IFAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000031744546 569457171 /nfs/dbraw/zinc/45/71/71/569457171.db2.gz SMLPLGIITOFNDQ-UHFFFAOYSA-N 0 0 431.452 2.519 50 0 IFAARN CCOC(=O)C1=C(Cn2cnc3ccc(Cl)cc3c2=O)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000031741098 569457177 /nfs/dbraw/zinc/45/71/77/569457177.db2.gz GIHZXSITMGLTLA-GOSISDBHSA-N 0 0 442.859 2.823 50 0 IFAARN COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1F ZINC000031807467 569457479 /nfs/dbraw/zinc/45/74/79/569457479.db2.gz PEIQGOAIOBZYTD-QGZVFWFLSA-N 0 0 439.285 2.922 50 0 IFAARN COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1F ZINC000031807461 569457520 /nfs/dbraw/zinc/45/75/20/569457520.db2.gz PEIQGOAIOBZYTD-KRWDZBQOSA-N 0 0 439.285 2.922 50 0 IFAARN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000032073112 569459316 /nfs/dbraw/zinc/45/93/16/569459316.db2.gz CESURKBQAQQHRQ-QGZVFWFLSA-N 0 0 430.306 2.977 50 0 IFAARN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000032073114 569459320 /nfs/dbraw/zinc/45/93/20/569459320.db2.gz CESURKBQAQQHRQ-KRWDZBQOSA-N 0 0 430.306 2.977 50 0 IFAARN COc1ccc(NC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C(C)C)c(OC)c1 ZINC000032074609 569459355 /nfs/dbraw/zinc/45/93/55/569459355.db2.gz OPTKGLZSULSDDV-ZHRRBRCNSA-N 0 0 439.512 2.836 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)C2)cc1 ZINC000032097085 569459941 /nfs/dbraw/zinc/45/99/41/569459941.db2.gz HYAZWDQKHXZVFC-CYBMUJFWSA-N 0 0 447.421 2.957 50 0 IFAARN CCCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1 ZINC000059248380 569460591 /nfs/dbraw/zinc/46/05/91/569460591.db2.gz RNGIOPLOAXMDJG-QFIPXVFZSA-N 0 0 428.510 2.693 50 0 IFAARN COC(=O)[C@@](NC(=O)c1ccccc1)(Nc1sc2c(c1C(N)=O)CCC2)C(F)(F)F ZINC000004177286 569460700 /nfs/dbraw/zinc/46/07/00/569460700.db2.gz XQDOIQCKLKBXRZ-GOSISDBHSA-N 0 0 441.431 2.609 50 0 IFAARN O=S(=O)(NCCN1CCC[C@H](CO)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000670461263 569460859 /nfs/dbraw/zinc/46/08/59/569460859.db2.gz RBOJNFWSVOWZNV-NSHDSACASA-N 0 0 434.402 2.707 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nnc3sc4ccccc4n23)c1 ZINC000004199878 569460892 /nfs/dbraw/zinc/46/08/92/569460892.db2.gz PSKCNGBEPMUTMF-UHFFFAOYSA-N 0 0 447.567 2.925 50 0 IFAARN CCCCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000032235426 569460951 /nfs/dbraw/zinc/46/09/51/569460951.db2.gz JDWHZVOIFZXKTP-UHFFFAOYSA-N 0 0 448.365 2.513 50 0 IFAARN O=C(N[C@H](c1cccs1)C1CCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000032397799 569461494 /nfs/dbraw/zinc/46/14/94/569461494.db2.gz RXEAECFKUYXRGX-FQEVSTJZSA-N 0 0 447.582 2.530 50 0 IFAARN COc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000032391556 569461505 /nfs/dbraw/zinc/46/15/05/569461505.db2.gz RITGSKYUKVVRJN-OAHLLOKOSA-N 0 0 448.483 2.611 50 0 IFAARN CCOc1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC(C)=C2C(=O)OCC(C)C)cc1 ZINC000004291706 569461879 /nfs/dbraw/zinc/46/18/79/569461879.db2.gz QJOIGYCHTSZUFD-GOSISDBHSA-N 0 0 427.501 2.513 50 0 IFAARN O=C(CN1CCN(C(=O)Cc2cccs2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000032523927 569461925 /nfs/dbraw/zinc/46/19/25/569461925.db2.gz PDAAJDOTCXTRBT-UHFFFAOYSA-N 0 0 427.448 2.972 50 0 IFAARN COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1C ZINC000008133059 569462247 /nfs/dbraw/zinc/46/22/47/569462247.db2.gz ABKNJUYHOXECBU-NPMXOYFQSA-N 0 0 425.485 2.725 50 0 IFAARN Cc1nnc2ccc(-c3cccc(NC(=O)Cn4cnc(-c5ccccc5)cc4=O)c3)nn12 ZINC000038486308 569462708 /nfs/dbraw/zinc/46/27/08/569462708.db2.gz SEDYRCVPUJXAQC-UHFFFAOYSA-N 0 0 437.463 2.962 50 0 IFAARN O=C(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(=O)n(Cc2cccc(F)c2)n1 ZINC000038486352 569462744 /nfs/dbraw/zinc/46/27/44/569462744.db2.gz AVFMLWXIBFBKJA-UHFFFAOYSA-N 0 0 445.454 2.697 50 0 IFAARN CC(C)Oc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4)c3=O)n2)cc1 ZINC000038486654 569462775 /nfs/dbraw/zinc/46/27/75/569462775.db2.gz CQBZWZVZIMTSMZ-UHFFFAOYSA-N 0 0 443.467 2.922 50 0 IFAARN Cc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(F)cc4)c3=O)n2)cc1C ZINC000038486763 569462816 /nfs/dbraw/zinc/46/28/16/569462816.db2.gz VOLQZHNZZYZZNB-UHFFFAOYSA-N 0 0 431.431 2.891 50 0 IFAARN Cn1c(=O)n(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)nc1-c1ccccn1 ZINC000038533282 569463215 /nfs/dbraw/zinc/46/32/15/569463215.db2.gz NSHLASGDADVZBG-UHFFFAOYSA-N 0 0 425.920 2.925 50 0 IFAARN O=C(NCCn1[nH]c(=O)c2ccccc2c1=O)c1ccccc1OC(F)(F)C(F)F ZINC000670471642 569464204 /nfs/dbraw/zinc/46/42/04/569464204.db2.gz QFDWVRBHJIXZJR-UHFFFAOYSA-N 0 0 425.338 2.769 50 0 IFAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N2CCC(C)CC2)c1=O ZINC000067205406 569464614 /nfs/dbraw/zinc/46/46/14/569464614.db2.gz IFJVFFIXHXSXPX-UHFFFAOYSA-N 0 0 427.526 2.540 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(=O)OC)cc4)ncn3n2)cc1 ZINC000067208887 569464750 /nfs/dbraw/zinc/46/47/50/569464750.db2.gz VFQQCCOJGKPLPE-UHFFFAOYSA-N 0 0 431.452 2.546 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(OC)ccc4OC)ncn3n2)cc1 ZINC000067208748 569464765 /nfs/dbraw/zinc/46/47/65/569464765.db2.gz GBCQYEDEULAMIS-UHFFFAOYSA-N 0 0 433.468 2.776 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(OC)cc(OC)c4)ncn3n2)cc1 ZINC000067208838 569464771 /nfs/dbraw/zinc/46/47/71/569464771.db2.gz SZHDKWDEKSVIDN-UHFFFAOYSA-N 0 0 433.468 2.776 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)N[C@@H](C)c4ccc(OC)cc4)c(=O)n3c(C)n2)cc1 ZINC000067239721 569465701 /nfs/dbraw/zinc/46/57/01/569465701.db2.gz IQABJHOMSLOPHA-HNNXBMFYSA-N 0 0 447.495 2.761 50 0 IFAARN COc1ccccc1-n1ccn(CC(=O)Nc2ccc(C)cc2Br)c(=O)c1=O ZINC000067256493 569466107 /nfs/dbraw/zinc/46/61/07/569466107.db2.gz GVIZTINNLCJDNU-UHFFFAOYSA-N 0 0 444.285 2.717 50 0 IFAARN COc1cccc(N2C[C@H](C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3C)CC2=O)c1 ZINC000038677574 569466552 /nfs/dbraw/zinc/46/65/52/569466552.db2.gz RFEDMZVRXDYSLK-MRXNPFEDSA-N 0 0 443.525 2.535 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@H]3CCCC[C@H]3N3C(=O)CSC3=O)[nH]n2)c1 ZINC000038679696 569466639 /nfs/dbraw/zinc/46/66/39/569466639.db2.gz ZLLWAYISKRMZOW-WMLDXEAASA-N 0 0 444.513 2.830 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000067286449 569466879 /nfs/dbraw/zinc/46/68/79/569466879.db2.gz XDXIUQCIYZKQQN-LJQANCHMSA-N 0 0 447.532 2.615 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000067286680 569467031 /nfs/dbraw/zinc/46/70/31/569467031.db2.gz NTYDABKNWYJUAV-OAQYLSRUSA-N 0 0 431.533 2.997 50 0 IFAARN CSc1ccc([C@@H]2NC(=O)N(CC(=O)N3CCc4ccccc43)C3=C2C(=O)OC3)cc1 ZINC000067288999 569467493 /nfs/dbraw/zinc/46/74/93/569467493.db2.gz FSMNGZBTSPRGAR-NRFANRHFSA-N 0 0 435.505 2.875 50 0 IFAARN Cc1cc(NC(=O)CSc2nc3c(c(=O)[nH]2)CN(Cc2ccc(F)cc2)CC3)no1 ZINC000067291488 569467650 /nfs/dbraw/zinc/46/76/50/569467650.db2.gz SLSBHNSQYRMVFK-UHFFFAOYSA-N 0 0 429.477 2.907 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(F)cc2)c(OC)c1 ZINC000067300848 569468268 /nfs/dbraw/zinc/46/82/68/569468268.db2.gz KTVIFMCJXHAKPS-UHFFFAOYSA-N 0 0 441.459 2.549 50 0 IFAARN O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)NCCc1ccc(Cl)cc1 ZINC000067317029 569468484 /nfs/dbraw/zinc/46/84/84/569468484.db2.gz KPMFHIPJVYSHJE-UHFFFAOYSA-N 0 0 431.949 2.856 50 0 IFAARN Cc1c(C(=O)Nc2ccc(F)cc2F)nnn1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000067322556 569468667 /nfs/dbraw/zinc/46/86/67/569468667.db2.gz JLQXTHJLAQDEAB-UHFFFAOYSA-N 0 0 429.383 2.527 50 0 IFAARN COc1cccc(N2CCN(c3ncc(S(=O)(=O)c4cccc(C)c4)c(N)n3)CC2)c1 ZINC000067336405 569468901 /nfs/dbraw/zinc/46/89/01/569468901.db2.gz TUKNOTXPPHJIHJ-UHFFFAOYSA-N 0 0 439.541 2.535 50 0 IFAARN COc1ccc(NC(=O)c2cnc(N3CCN(c4cccc(OC)c4)CC3)nc2N)cc1 ZINC000067336543 569468938 /nfs/dbraw/zinc/46/89/38/569468938.db2.gz OMMDUFPZRNIIRC-UHFFFAOYSA-N 0 0 434.500 2.655 50 0 IFAARN COc1nn(C)cc1C(=O)N(C[C@H]1CCCO1)c1nc2c(s1)c(OC)ccc2OC ZINC000038840394 569469263 /nfs/dbraw/zinc/46/92/63/569469263.db2.gz BZVRYTPJKPSNQN-GFCCVEGCSA-N 0 0 432.502 2.881 50 0 IFAARN COc1nn(C)cc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(s1)c(OC)ccc2OC ZINC000038840392 569469279 /nfs/dbraw/zinc/46/92/79/569469279.db2.gz BZVRYTPJKPSNQN-LBPRGKRZSA-N 0 0 432.502 2.881 50 0 IFAARN CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000038855198 569469308 /nfs/dbraw/zinc/46/93/08/569469308.db2.gz RBEFHGYYVZDACW-FQEVSTJZSA-N 0 0 445.541 2.628 50 0 IFAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000038855675 569469320 /nfs/dbraw/zinc/46/93/20/569469320.db2.gz NYMZKFFEFDGROB-YWZLYKJASA-N 0 0 445.541 2.771 50 0 IFAARN CCOC(=O)Cn1c2ccc(S(C)(=O)=O)cc2s/c1=N/C(=O)c1cc(C)oc1C ZINC000038931836 569469595 /nfs/dbraw/zinc/46/95/95/569469595.db2.gz JESJBSDRAVUEGW-FMQUCBEESA-N 0 0 436.511 2.620 50 0 IFAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2NC(=O)c2ccccc2)n[nH]1 ZINC000008662162 569469884 /nfs/dbraw/zinc/46/98/84/569469884.db2.gz CZTROIFMGAIXCP-UHFFFAOYSA-N 0 0 434.481 2.543 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000008673232 569470007 /nfs/dbraw/zinc/47/00/07/569470007.db2.gz DDBICOBYVHVGCR-UHFFFAOYSA-N 0 0 447.557 2.525 50 0 IFAARN CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1-c1ccc(C)cc1N ZINC000008694501 569470022 /nfs/dbraw/zinc/47/00/22/569470022.db2.gz QMMNGBLYKCOYBR-UHFFFAOYSA-N 0 0 434.503 2.514 50 0 IFAARN CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1-c1cc(C)c(C)cc1N ZINC000008694506 569470029 /nfs/dbraw/zinc/47/00/29/569470029.db2.gz AWRCSSPLTJLTST-UHFFFAOYSA-N 0 0 448.530 2.822 50 0 IFAARN O=C1C[C@H](N2CCC(n3nnc(-c4cccs4)n3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000008694535 569470070 /nfs/dbraw/zinc/47/00/70/569470070.db2.gz OOZLTEIVRDKUQV-INIZCTEOSA-N 0 0 426.477 2.510 50 0 IFAARN COc1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000008703874 569470198 /nfs/dbraw/zinc/47/01/98/569470198.db2.gz ZIOCIJSFEXUOAX-UHFFFAOYSA-N 0 0 434.514 2.514 50 0 IFAARN COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000008708318 569470696 /nfs/dbraw/zinc/47/06/96/569470696.db2.gz CPJNDXPRQYSZQY-JTQLQIEISA-N 0 0 438.406 2.626 50 0 IFAARN C[C@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000008709135 569470711 /nfs/dbraw/zinc/47/07/11/569470711.db2.gz GKIHHKKQLCOTHL-GXFFZTMASA-N 0 0 444.376 2.623 50 0 IFAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)N1CCOC1=O ZINC000008709661 569470834 /nfs/dbraw/zinc/47/08/34/569470834.db2.gz QWYPZMDYHBZGFR-UHFFFAOYSA-N 0 0 438.465 2.793 50 0 IFAARN COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1OC ZINC000008713567 569471046 /nfs/dbraw/zinc/47/10/46/569471046.db2.gz BEDGMYYFWLMCAP-GFCCVEGCSA-N 0 0 430.482 2.610 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000008720167 569471516 /nfs/dbraw/zinc/47/15/16/569471516.db2.gz RGWZXQZHAFRFHM-IQGLISFBSA-N 0 0 445.523 2.993 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000008720168 569471530 /nfs/dbraw/zinc/47/15/30/569471530.db2.gz RGWZXQZHAFRFHM-BVZFJXPGSA-N 0 0 445.523 2.993 50 0 IFAARN CCc1ccccc1-n1c(SCn2nnc3ccccc3c2=O)nnc1N1CCOCC1 ZINC000008720346 569471579 /nfs/dbraw/zinc/47/15/79/569471579.db2.gz LYLKYJWWGVATHR-UHFFFAOYSA-N 0 0 449.540 2.521 50 0 IFAARN O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008720593 569471672 /nfs/dbraw/zinc/47/16/72/569471672.db2.gz GFWIIYOVMNXOAJ-UHFFFAOYSA-N 0 0 443.447 2.777 50 0 IFAARN CCOc1cc2c(cc1OCC)CN(C(=O)CCN1C(=O)NC3(CCCC3)C1=O)CC2 ZINC000008723594 569471908 /nfs/dbraw/zinc/47/19/08/569471908.db2.gz XGAZEOSPYCQNBC-UHFFFAOYSA-N 0 0 429.517 2.623 50 0 IFAARN CCCCn1c2nc(CSc3n[nH]c(-c4cccs4)n3)n(CC)c2c(=O)[nH]c1=O ZINC000008725523 569472165 /nfs/dbraw/zinc/47/21/65/569472165.db2.gz TYHQBSNZFRDTHH-UHFFFAOYSA-N 0 0 431.547 2.845 50 0 IFAARN COC(=O)c1csc(N2N=C(c3ccc(OC)cc3OC)C[C@@]2(O)C(F)(F)F)n1 ZINC000008753839 569473765 /nfs/dbraw/zinc/47/37/65/569473765.db2.gz WIYJQIUGIDCJDS-MRXNPFEDSA-N 0 0 431.392 2.812 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1=O ZINC000008754755 569473840 /nfs/dbraw/zinc/47/38/40/569473840.db2.gz UQIUBLSZUPKZOD-GBXCKJPGSA-N 0 0 437.496 2.833 50 0 IFAARN Cc1nn(S(=O)(=O)c2cc(C)ccc2C)c(C)c1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000008755314 569473939 /nfs/dbraw/zinc/47/39/39/569473939.db2.gz DCJGAGFFKTWRMA-AWEZNQCLSA-N 0 0 425.576 2.774 50 0 IFAARN COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N(C)c3ccccc3)c2C)cc1C ZINC000008755251 569473940 /nfs/dbraw/zinc/47/39/40/569473940.db2.gz CCJREBWUGZZLSZ-UHFFFAOYSA-N 0 0 449.554 2.879 50 0 IFAARN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000008756220 569474093 /nfs/dbraw/zinc/47/40/93/569474093.db2.gz ZYAQOTBMQRJDBV-NRFANRHFSA-N 0 0 444.553 2.751 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000008757460 569474198 /nfs/dbraw/zinc/47/41/98/569474198.db2.gz OTIMNPOCANXQLF-FQEVSTJZSA-N 0 0 430.460 2.726 50 0 IFAARN Cc1ccc2c(c1)n(S(=O)(=O)c1ccccc1)c(=O)n2S(=O)(=O)c1ccccc1 ZINC000008763564 569474417 /nfs/dbraw/zinc/47/44/17/569474417.db2.gz HKDQHQCUQYDUPY-UHFFFAOYSA-N 0 0 428.491 2.585 50 0 IFAARN O=C(NC[C@H]1CCCO1)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O ZINC000008767011 569474891 /nfs/dbraw/zinc/47/48/91/569474891.db2.gz UDJZEDOQUIYFFJ-IIBYNOLFSA-N 0 0 432.480 2.662 50 0 IFAARN Cc1nn(C(=O)c2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 ZINC000008768893 569474968 /nfs/dbraw/zinc/47/49/68/569474968.db2.gz FIJOBNOOBFNALB-UHFFFAOYSA-N 0 0 439.493 2.664 50 0 IFAARN Cn1c2ncn(CC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2c(=O)n(C)c1=O ZINC000008775726 569475331 /nfs/dbraw/zinc/47/53/31/569475331.db2.gz JGLAIZTVRCMXFI-UHFFFAOYSA-N 0 0 447.539 2.540 50 0 IFAARN CCOC(=O)NC(=O)COC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000008776030 569475358 /nfs/dbraw/zinc/47/53/58/569475358.db2.gz LCEUPRHSZHLQEK-UHFFFAOYSA-N 0 0 435.454 2.501 50 0 IFAARN O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000008780102 569475584 /nfs/dbraw/zinc/47/55/84/569475584.db2.gz JXLIEFCQMBHXGV-UHFFFAOYSA-N 0 0 444.376 2.623 50 0 IFAARN CCOc1ccccc1C(=O)N[C@@H](C(=O)OCCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000008823995 569477139 /nfs/dbraw/zinc/47/71/39/569477139.db2.gz ADYRCVMMEOQSOV-HXUWFJFHSA-N 0 0 438.480 2.679 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1C ZINC000008824376 569477165 /nfs/dbraw/zinc/47/71/65/569477165.db2.gz LMWRDWIXCZKOPE-LBPRGKRZSA-N 0 0 442.390 2.803 50 0 IFAARN O=C(CSc1cccc[n+]1[O-])Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000008824894 569477221 /nfs/dbraw/zinc/47/72/21/569477221.db2.gz ROSACRDYQNKTAD-UHFFFAOYSA-N 0 0 441.962 2.879 50 0 IFAARN O=C(COC(=O)CSc1nc2ccccc2o1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000008824699 569477260 /nfs/dbraw/zinc/47/72/60/569477260.db2.gz BJGFPLNUBSOLFM-UHFFFAOYSA-N 0 0 443.437 2.583 50 0 IFAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccco4)c(=O)n32)cc1 ZINC000008834803 569477937 /nfs/dbraw/zinc/47/79/37/569477937.db2.gz HEYRKMUTTYGXLP-YWFITGJYSA-N 0 0 438.505 2.788 50 0 IFAARN CCCCn1c(-c2ccc(Br)cc2)cn2c3c(nc21)n(C)c(=O)n(C)c3=O ZINC000008846411 569479104 /nfs/dbraw/zinc/47/91/04/569479104.db2.gz FBXABDLTOLJEIC-UHFFFAOYSA-N 0 0 430.306 2.916 50 0 IFAARN Cc1ccc(N2CCn3c2nn(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c3=O)cc1 ZINC000008849690 569479284 /nfs/dbraw/zinc/47/92/84/569479284.db2.gz YFFQNYRWJFHFSJ-UHFFFAOYSA-N 0 0 445.401 2.523 50 0 IFAARN Cc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc(=O)c2cc1C ZINC000008868790 569480382 /nfs/dbraw/zinc/48/03/82/569480382.db2.gz QZHCHLVHFSUTAS-UHFFFAOYSA-N 0 0 442.493 2.683 50 0 IFAARN COC(=O)C1CCN(C(=O)COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)CC1 ZINC000008879617 569481353 /nfs/dbraw/zinc/48/13/53/569481353.db2.gz HQWBFPHNMYVVLZ-UHFFFAOYSA-N 0 0 437.448 2.956 50 0 IFAARN CCOC(=O)C1=C(COC(=O)Cc2c(C)n[nH]c2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000039973585 569482138 /nfs/dbraw/zinc/48/21/38/569482138.db2.gz SOXSHQWSPLYFAN-LJQANCHMSA-N 0 0 446.891 2.637 50 0 IFAARN CCOc1ccc(NC(=O)[C@H](C)OC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 ZINC000039996301 569482396 /nfs/dbraw/zinc/48/23/96/569482396.db2.gz NWPGTCFWKGULJL-ZDUSSCGKSA-N 0 0 429.404 2.612 50 0 IFAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC000040005087 569482431 /nfs/dbraw/zinc/48/24/31/569482431.db2.gz VICZMBUBBGRWNI-AWEZNQCLSA-N 0 0 430.482 2.843 50 0 IFAARN NC(=O)CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000040012716 569482588 /nfs/dbraw/zinc/48/25/88/569482588.db2.gz PCJXFNNSVCFEOU-UHFFFAOYSA-N 0 0 435.933 2.647 50 0 IFAARN CCc1sc(-c2nnc(COC(=O)CNC(=O)c3ccc4c(c3)OCO4)o2)cc1C ZINC000008882237 569482925 /nfs/dbraw/zinc/48/29/25/569482925.db2.gz RPBLYBRHYQHVFE-UHFFFAOYSA-N 0 0 429.454 2.871 50 0 IFAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008882863 569482978 /nfs/dbraw/zinc/48/29/78/569482978.db2.gz ZJACGBMMGVKYGS-QFIPXVFZSA-N 0 0 444.553 2.532 50 0 IFAARN COc1ccccc1-c1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)o1 ZINC000008897351 569483947 /nfs/dbraw/zinc/48/39/47/569483947.db2.gz LDGFJXSQHPRLEZ-INIZCTEOSA-N 0 0 446.460 2.676 50 0 IFAARN CCn1c(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 ZINC000008898987 569484020 /nfs/dbraw/zinc/48/40/20/569484020.db2.gz MIJIRMQETSFWSE-INIZCTEOSA-N 0 0 446.554 2.870 50 0 IFAARN CCn1c(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 ZINC000008898985 569484037 /nfs/dbraw/zinc/48/40/37/569484037.db2.gz MIJIRMQETSFWSE-MRXNPFEDSA-N 0 0 446.554 2.870 50 0 IFAARN O=C(CCCn1c(=O)oc2ccccc21)NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000040051611 569484453 /nfs/dbraw/zinc/48/44/53/569484453.db2.gz VILLUEPETYQJBI-UHFFFAOYSA-N 0 0 435.402 2.940 50 0 IFAARN O=C(Nc1cccc(CNC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)c1)C1CC1 ZINC000040052215 569484551 /nfs/dbraw/zinc/48/45/51/569484551.db2.gz CNARWEJYXLWHCE-VQTJNVASSA-N 0 0 441.528 2.633 50 0 IFAARN COc1ccc(CN(C(=O)c2cc(=O)c3ccc(C)cc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008915168 569485478 /nfs/dbraw/zinc/48/54/78/569485478.db2.gz VYQOSPDJOVCQDX-QGZVFWFLSA-N 0 0 441.505 2.940 50 0 IFAARN COc1ccc(CN(C(=O)c2cc(=O)c3ccc(C)cc3o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008915169 569485539 /nfs/dbraw/zinc/48/55/39/569485539.db2.gz VYQOSPDJOVCQDX-KRWDZBQOSA-N 0 0 441.505 2.940 50 0 IFAARN COc1cc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000008915756 569485603 /nfs/dbraw/zinc/48/56/03/569485603.db2.gz SFEXMFXVTMJKGP-QGZVFWFLSA-N 0 0 437.489 2.681 50 0 IFAARN COc1cc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000008915757 569485630 /nfs/dbraw/zinc/48/56/30/569485630.db2.gz SFEXMFXVTMJKGP-KRWDZBQOSA-N 0 0 437.489 2.681 50 0 IFAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008917278 569485979 /nfs/dbraw/zinc/48/59/79/569485979.db2.gz JYXREXTYYPOUDU-AUUYWEPGSA-N 0 0 425.462 2.534 50 0 IFAARN CCCCOCCCNC(=O)[C@H](C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008918186 569486211 /nfs/dbraw/zinc/48/62/11/569486211.db2.gz NVXBYTOVDZEMRB-FYSMJZIKSA-N 0 0 440.544 2.915 50 0 IFAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)NCc1cccnc1OCC(F)(F)F ZINC000040074508 569486255 /nfs/dbraw/zinc/48/62/55/569486255.db2.gz NSARMRMBBJQNBS-UHFFFAOYSA-N 0 0 429.782 2.718 50 0 IFAARN CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000040087670 569486722 /nfs/dbraw/zinc/48/67/22/569486722.db2.gz PKUWXNBKAWJDBF-MRXNPFEDSA-N 0 0 426.579 2.969 50 0 IFAARN CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC000008923998 569487130 /nfs/dbraw/zinc/48/71/30/569487130.db2.gz QRLGQGUMIOZWTK-BEFAXECRSA-N 0 0 429.498 2.540 50 0 IFAARN COc1ccc(CNC(=O)NCCS(=O)(=O)c2c(C)[nH]c3ccccc32)cc1OC ZINC000008923955 569487150 /nfs/dbraw/zinc/48/71/50/569487150.db2.gz XLELVGOQXCEPSK-UHFFFAOYSA-N 0 0 431.514 2.767 50 0 IFAARN O=C1NC(=O)[C@@](CCCCCC[C@]2(c3ccccc3)NC(=O)NC2=O)(c2ccccc2)N1 ZINC000008925984 569487189 /nfs/dbraw/zinc/48/71/89/569487189.db2.gz TZOQNPJTEOEUQT-DNQXCXABSA-N 0 0 434.496 2.797 50 0 IFAARN COc1cc(OC)c(OC)c2[nH]c(C(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)cc21 ZINC000040091015 569487463 /nfs/dbraw/zinc/48/74/63/569487463.db2.gz JYWWPAILTJZGKF-QGZVFWFLSA-N 0 0 443.500 2.898 50 0 IFAARN O=C(CC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccc2c(c1)OCCO2 ZINC000008931702 569487575 /nfs/dbraw/zinc/48/75/75/569487575.db2.gz LNWONARRJSTZPY-UHFFFAOYSA-N 0 0 448.479 2.861 50 0 IFAARN COCCCNC(=O)C1CCN(C(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933675 569487861 /nfs/dbraw/zinc/48/78/61/569487861.db2.gz FFARBUVXSBPJAB-UHFFFAOYSA-N 0 0 449.555 2.976 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)NCc3cccc(Br)c3)sc2n1 ZINC000008933832 569487892 /nfs/dbraw/zinc/48/78/92/569487892.db2.gz KETRQERBOHLKQZ-CQSZACIVSA-N 0 0 448.346 2.507 50 0 IFAARN CC(=O)N(c1nc(COC(=O)CCCN2C(=O)CN(C)C2=O)cs1)c1ccccc1 ZINC000008936655 569488081 /nfs/dbraw/zinc/48/80/81/569488081.db2.gz WIOHNNXOJGZTDB-UHFFFAOYSA-N 0 0 430.486 2.545 50 0 IFAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000040104236 569488148 /nfs/dbraw/zinc/48/81/48/569488148.db2.gz HHIPITUAMHKIEQ-QGZVFWFLSA-N 0 0 437.422 2.746 50 0 IFAARN CCCn1nc(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1=O ZINC000040107806 569488516 /nfs/dbraw/zinc/48/85/16/569488516.db2.gz NMZWPFCDTGMGDN-KRWDZBQOSA-N 0 0 436.434 2.766 50 0 IFAARN O=C(CCC(=O)N1CCOCC1)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000040108141 569488539 /nfs/dbraw/zinc/48/85/39/569488539.db2.gz FXHFOGHOJFDJCY-FQEVSTJZSA-N 0 0 427.570 2.603 50 0 IFAARN COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000008942136 569488703 /nfs/dbraw/zinc/48/87/03/569488703.db2.gz MYWZLJKVZVFIAZ-MRXNPFEDSA-N 0 0 430.526 2.966 50 0 IFAARN Cc1cc(C)n2c(nnc2S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n1 ZINC000008942941 569488724 /nfs/dbraw/zinc/48/87/24/569488724.db2.gz ZJXCNAJRXIKJTF-AWEZNQCLSA-N 0 0 448.574 2.547 50 0 IFAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008943815 569488852 /nfs/dbraw/zinc/48/88/52/569488852.db2.gz CEBABNYUKDHQKX-LJQANCHMSA-N 0 0 435.480 2.605 50 0 IFAARN COc1cccc(C(=O)NCCn2ncc3c2nc(SC)nc3N2CCCC2)c1OC ZINC000008946503 569489112 /nfs/dbraw/zinc/48/91/12/569489112.db2.gz MRGSKCPFFPTYNN-UHFFFAOYSA-N 0 0 442.545 2.596 50 0 IFAARN CSc1nc2c(cnn2CCNC(=O)CCCc2ccccc2)c(N2CCOCC2)n1 ZINC000008947465 569489155 /nfs/dbraw/zinc/48/91/55/569489155.db2.gz YMLPRWTWYGLHQT-UHFFFAOYSA-N 0 0 440.573 2.524 50 0 IFAARN Cc1c(F)cc(C(N)=O)cc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000040117595 569489272 /nfs/dbraw/zinc/48/92/72/569489272.db2.gz RGFHGZUNSRUVAM-UHFFFAOYSA-N 0 0 428.489 2.912 50 0 IFAARN O=C(NCCc1cc(F)cc2c1OCOC2)Nc1ccccc1C(=O)N1CCOCC1 ZINC000040120239 569489463 /nfs/dbraw/zinc/48/94/63/569489463.db2.gz UZYNIXNLHGKVBA-UHFFFAOYSA-N 0 0 429.448 2.529 50 0 IFAARN CCCN(CC(=O)NN1C(=O)N[C@@](C)(CC)C1=O)[C@@H](C)c1ccccc1Br ZINC000040122954 569489719 /nfs/dbraw/zinc/48/97/19/569489719.db2.gz BIZRHAWLQIZJST-DJJJIMSYSA-N 0 0 439.354 2.974 50 0 IFAARN O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000008954952 569490081 /nfs/dbraw/zinc/49/00/81/569490081.db2.gz QWPPAHLTFLAXSW-UHFFFAOYSA-N 0 0 429.445 2.969 50 0 IFAARN O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000008954950 569490087 /nfs/dbraw/zinc/49/00/87/569490087.db2.gz PSSKSZDRVRSWGG-UHFFFAOYSA-N 0 0 445.444 2.849 50 0 IFAARN Cc1occc1C(=O)Nc1nc(CC(=O)NCc2ccc(C(=O)N(C)C)cc2)cs1 ZINC000040132611 569490391 /nfs/dbraw/zinc/49/03/91/569490391.db2.gz FTPOFRPDQOIYHK-UHFFFAOYSA-N 0 0 426.498 2.858 50 0 IFAARN CS(=O)(=O)c1ccccc1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000040134443 569490535 /nfs/dbraw/zinc/49/05/35/569490535.db2.gz XBPPKYWCDQWJFP-UHFFFAOYSA-N 0 0 427.448 2.903 50 0 IFAARN Cc1oc2cc(OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 ZINC000008965877 569491551 /nfs/dbraw/zinc/49/15/51/569491551.db2.gz PBPWNBXZMWHDPO-QGZVFWFLSA-N 0 0 441.505 2.793 50 0 IFAARN O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(Cl)cc1)N1CCNC1=O ZINC000008966008 569491645 /nfs/dbraw/zinc/49/16/45/569491645.db2.gz AHOJVIOKPZJJBG-UHFFFAOYSA-N 0 0 434.953 2.551 50 0 IFAARN COc1cccc(C(=O)NC2CCN(C(=O)c3nc(N4CCCC4)ncc3Cl)CC2)c1 ZINC000040142115 569491821 /nfs/dbraw/zinc/49/18/21/569491821.db2.gz HAFULUMGSNAATD-UHFFFAOYSA-N 0 0 443.935 2.773 50 0 IFAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)CCN1CCCS1(=O)=O ZINC000040149034 569492424 /nfs/dbraw/zinc/49/24/24/569492424.db2.gz ZHHVVAKIPXUQIK-UHFFFAOYSA-N 0 0 438.981 2.586 50 0 IFAARN COc1ccc(NC(=O)NC(=O)CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000040149617 569492587 /nfs/dbraw/zinc/49/25/87/569492587.db2.gz AKJYNLNFWOUZGY-CQSZACIVSA-N 0 0 445.907 2.742 50 0 IFAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000040149698 569492647 /nfs/dbraw/zinc/49/26/47/569492647.db2.gz MAFUZSHVZRATHQ-HOTGVXAUSA-N 0 0 444.340 2.871 50 0 IFAARN O=C(COc1cccc(Br)c1)N1CCC[C@@H](C(=O)Nc2nncs2)C1 ZINC000040151015 569493230 /nfs/dbraw/zinc/49/32/30/569493230.db2.gz LQWFQXBQHOBBRM-LLVKDONJSA-N 0 0 425.308 2.557 50 0 IFAARN CC(C)NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000040150862 569493237 /nfs/dbraw/zinc/49/32/37/569493237.db2.gz XXTLZYYIQXADBT-UHFFFAOYSA-N 0 0 430.935 2.683 50 0 IFAARN NC(=O)CCOc1ccccc1NC(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000040151905 569493336 /nfs/dbraw/zinc/49/33/36/569493336.db2.gz MOKCBCGEXUYYNV-UHFFFAOYSA-N 0 0 436.468 2.677 50 0 IFAARN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 ZINC000040152722 569493488 /nfs/dbraw/zinc/49/34/88/569493488.db2.gz XPWFMQPJMWZBQV-HXUWFJFHSA-N 0 0 427.545 2.599 50 0 IFAARN COC(=O)c1cnc(N[C@@H](C)c2cc3ccccc3o2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000040153466 569493641 /nfs/dbraw/zinc/49/36/41/569493641.db2.gz DWLPXXURLXFIRP-AWEZNQCLSA-N 0 0 445.497 2.808 50 0 IFAARN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000040153908 569493667 /nfs/dbraw/zinc/49/36/67/569493667.db2.gz VEIYSLDZPGRYFJ-CQSZACIVSA-N 0 0 425.407 2.641 50 0 IFAARN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000040157723 569494387 /nfs/dbraw/zinc/49/43/87/569494387.db2.gz OJHOXQXAWKKJGR-LAJNKCICSA-N 0 0 427.482 2.647 50 0 IFAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N[C@H]1CCS(=O)(=O)C1 ZINC000008991036 569495258 /nfs/dbraw/zinc/49/52/58/569495258.db2.gz LYCGXKXXUSKNOU-AWEZNQCLSA-N 0 0 447.896 2.796 50 0 IFAARN COc1ccc(CNC(=O)C(=O)N[C@@H]2c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000008991122 569495286 /nfs/dbraw/zinc/49/52/86/569495286.db2.gz PZQBPVXHRHKMEU-JOCHJYFZSA-N 0 0 429.476 2.716 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)Cn1c2cccnc2c(=O)n(Cc2ccccn2)c1=O ZINC000009000958 569495935 /nfs/dbraw/zinc/49/59/35/569495935.db2.gz VLVGIUHXYKFENB-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN CC(C)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)cc1 ZINC000009001529 569496012 /nfs/dbraw/zinc/49/60/12/569496012.db2.gz RIXRIWODYNGMAN-UHFFFAOYSA-N 0 0 429.480 2.764 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1c2cccnc2c(=O)n(Cc2cccnc2)c1=O ZINC000009001280 569496025 /nfs/dbraw/zinc/49/60/25/569496025.db2.gz VPGSJUZCNJZLSJ-UHFFFAOYSA-N 0 0 429.480 2.511 50 0 IFAARN COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCC[C@@H]43)C2=O)cc1OC ZINC000009011991 569496522 /nfs/dbraw/zinc/49/65/22/569496522.db2.gz PWMQBAAJQGLVMB-PXDATVDWSA-N 0 0 449.507 2.536 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000009034023 569497194 /nfs/dbraw/zinc/49/71/94/569497194.db2.gz GSUBWGJXTLKMFA-BTYIYWSLSA-N 0 0 444.871 2.834 50 0 IFAARN NC(=O)C1CCN(c2nc3c(cnn3-c3ccc(F)cc3)c(NCc3ccco3)n2)CC1 ZINC000040267298 569497406 /nfs/dbraw/zinc/49/74/06/569497406.db2.gz FFDNGABRJXGMGS-UHFFFAOYSA-N 0 0 435.463 2.861 50 0 IFAARN NS(=O)(=O)c1ccc(CNC(=O)CCn2ccc3c2cccc3Br)cc1 ZINC000040282859 569497741 /nfs/dbraw/zinc/49/77/41/569497741.db2.gz WVXJLVALFMHVHK-UHFFFAOYSA-N 0 0 436.331 2.758 50 0 IFAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)ccc1OC ZINC000040309254 569498641 /nfs/dbraw/zinc/49/86/41/569498641.db2.gz RTRXCFVUOVPMQV-FXAWDEMLSA-N 0 0 430.505 2.672 50 0 IFAARN Cc1ccccc1-n1nnnc1SCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009056536 569499066 /nfs/dbraw/zinc/49/90/66/569499066.db2.gz YPSWDUQDKYKQIX-UHFFFAOYSA-N 0 0 426.893 2.936 50 0 IFAARN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2ccc4c(c2)OCO4)OCC3)c(=O)n(C)c1=O ZINC000009058841 569499246 /nfs/dbraw/zinc/49/92/46/569499246.db2.gz JPHHVRWWYWAJTF-JOCHJYFZSA-N 0 0 431.448 2.554 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n3C)n1-c1ccccc1N ZINC000009059528 569499349 /nfs/dbraw/zinc/49/93/49/569499349.db2.gz RNWNSODXQCPOEG-UHFFFAOYSA-N 0 0 434.887 2.731 50 0 IFAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000069291753 569499627 /nfs/dbraw/zinc/49/96/27/569499627.db2.gz DGLDEDDVDFSSPW-APWZRJJASA-N 0 0 440.009 2.515 50 0 IFAARN O=C(NCCN1CCOCC1)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355462 569499792 /nfs/dbraw/zinc/49/97/92/569499792.db2.gz IBTRCFBALKEHJU-UHFFFAOYSA-N 0 0 429.329 2.764 50 0 IFAARN O=c1[nH]c(Cc2cccc(F)c2)nc2c1CN(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000040373326 569500451 /nfs/dbraw/zinc/50/04/51/569500451.db2.gz CJEFWJJUIAFNMV-UHFFFAOYSA-N 0 0 433.892 2.900 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)N[C@H]3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 ZINC000245245961 569501212 /nfs/dbraw/zinc/50/12/12/569501212.db2.gz XLDFGRMOFXAIOI-QINHECLXSA-N 0 0 447.601 2.738 50 0 IFAARN O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCN(C(=O)c2cccnc2)CC1 ZINC000069349482 569501643 /nfs/dbraw/zinc/50/16/43/569501643.db2.gz OFRIEGDHRYTZLY-UHFFFAOYSA-N 0 0 445.405 2.671 50 0 IFAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000009101771 569501810 /nfs/dbraw/zinc/50/18/10/569501810.db2.gz JSCMMIANUSTQDU-INIZCTEOSA-N 0 0 442.541 2.548 50 0 IFAARN C[C@@H]1Cn2c3c(nc2N(Cc2ccccc2)C1)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000009110977 569502299 /nfs/dbraw/zinc/50/22/99/569502299.db2.gz YKOKKAPTWNMNSN-SFHVURJKSA-N 0 0 429.524 2.796 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000009114756 569502662 /nfs/dbraw/zinc/50/26/62/569502662.db2.gz NPCYBANIUDLSFA-LBPRGKRZSA-N 0 0 436.563 2.600 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccccc3F)ccc2N1C(=O)C1CC1 ZINC000009117109 569503033 /nfs/dbraw/zinc/50/30/33/569503033.db2.gz ODXYAMWRJFAXBJ-AWEZNQCLSA-N 0 0 445.516 2.773 50 0 IFAARN COc1ccc(-c2cn3nc(N4CCC(C(=O)N5CCOCC5)CC4)sc3n2)cc1 ZINC000009117335 569503098 /nfs/dbraw/zinc/50/30/98/569503098.db2.gz FKRCMZWKDTXFQV-UHFFFAOYSA-N 0 0 427.530 2.542 50 0 IFAARN COCCCNC(=O)[C@@H]1CCCN(c2nn3cc(-c4ccc(OC)cc4)nc3s2)C1 ZINC000009117464 569503138 /nfs/dbraw/zinc/50/31/38/569503138.db2.gz HFXRHTWOQYLCHF-MRXNPFEDSA-N 0 0 429.546 2.836 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)Nc3ccc(C)cn3)C(C)C)cc2C[C@@H]1C ZINC000009118202 569503242 /nfs/dbraw/zinc/50/32/42/569503242.db2.gz DYOJRGVZQGDGAZ-YCRPNKLZSA-N 0 0 444.557 2.629 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)Nc3ccc(C)cn3)C(C)C)cc2C[C@H]1C ZINC000009118204 569503252 /nfs/dbraw/zinc/50/32/52/569503252.db2.gz DYOJRGVZQGDGAZ-QVKFZJNVSA-N 0 0 444.557 2.629 50 0 IFAARN CN(C)C(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000069375880 569503458 /nfs/dbraw/zinc/50/34/58/569503458.db2.gz PIZUXBJAJKMZPK-QGZVFWFLSA-N 0 0 426.344 2.925 50 0 IFAARN NC(=O)NC(=O)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl ZINC000009120713 569504003 /nfs/dbraw/zinc/50/40/03/569504003.db2.gz XIXRPIWSBPZJIA-UHFFFAOYSA-N 0 0 441.904 2.606 50 0 IFAARN COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C ZINC000009124216 569504277 /nfs/dbraw/zinc/50/42/77/569504277.db2.gz GIQODXJORRRNNL-UHFFFAOYSA-N 0 0 437.887 2.759 50 0 IFAARN COc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000009124759 569504399 /nfs/dbraw/zinc/50/43/99/569504399.db2.gz FHPVOHYPVPQSBE-UHFFFAOYSA-N 0 0 446.525 2.974 50 0 IFAARN Cc1c(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000009125890 569504731 /nfs/dbraw/zinc/50/47/31/569504731.db2.gz WAKQDIFQIIGTPW-UHFFFAOYSA-N 0 0 440.809 2.957 50 0 IFAARN CCOc1ccccc1N1C[C@@H](C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)CC1=O ZINC000009126219 569504900 /nfs/dbraw/zinc/50/49/00/569504900.db2.gz RVXRKYYKQZFIFD-FQEVSTJZSA-N 0 0 435.524 2.990 50 0 IFAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000009126538 569504967 /nfs/dbraw/zinc/50/49/67/569504967.db2.gz USXODPOQISDOPR-UHFFFAOYSA-N 0 0 426.889 2.968 50 0 IFAARN CCOc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2CCc2ccccc2)cc1 ZINC000009126743 569505071 /nfs/dbraw/zinc/50/50/71/569505071.db2.gz ASOUERCIDXNQLY-UHFFFAOYSA-N 0 0 443.507 2.995 50 0 IFAARN Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c(C)n1C[C@H]1CCCO1 ZINC000009127091 569505090 /nfs/dbraw/zinc/50/50/90/569505090.db2.gz YSWXSSUGLRPKNJ-MRXNPFEDSA-N 0 0 437.587 2.904 50 0 IFAARN NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1cncc(Br)c1 ZINC000069394452 569505287 /nfs/dbraw/zinc/50/52/87/569505287.db2.gz KOPGDBCFTASYRU-UHFFFAOYSA-N 0 0 427.096 2.734 50 0 IFAARN Cc1cc(F)ccc1NC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O ZINC000040478018 569506668 /nfs/dbraw/zinc/50/66/68/569506668.db2.gz JFWOWNSDKGZXBY-UHFFFAOYSA-N 0 0 426.839 2.776 50 0 IFAARN COC(=O)[C@@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1C(F)(F)F ZINC000069563300 569507280 /nfs/dbraw/zinc/50/72/80/569507280.db2.gz NPNHNEGJEOHRPZ-YOEHRIQHSA-N 0 0 441.450 2.964 50 0 IFAARN COc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(OC)c1 ZINC000009151695 569507592 /nfs/dbraw/zinc/50/75/92/569507592.db2.gz FVWPAYRHFJLLEQ-CYBMUJFWSA-N 0 0 448.497 2.534 50 0 IFAARN CCN(Cc1ccccc1)C(=O)C[C@H](C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000009151833 569507630 /nfs/dbraw/zinc/50/76/30/569507630.db2.gz OZIWEIDEZPIGNP-INIZCTEOSA-N 0 0 430.526 2.927 50 0 IFAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O ZINC000009155756 569508316 /nfs/dbraw/zinc/50/83/16/569508316.db2.gz BFQMDJODMNPTRM-OAQYLSRUSA-N 0 0 442.313 2.801 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2c(F)cccc2Cl)c1=O)CCCN3Cc1ccco1 ZINC000009156890 569508374 /nfs/dbraw/zinc/50/83/74/569508374.db2.gz QPSDICGPLJKYMJ-UHFFFAOYSA-N 0 0 443.866 2.741 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)Cc2n[nH]c(=O)c3ccccc23)c1C ZINC000009171377 569509377 /nfs/dbraw/zinc/50/93/77/569509377.db2.gz CIPAYQPQTHPUGT-GOSISDBHSA-N 0 0 448.523 2.729 50 0 IFAARN Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000009184848 569509998 /nfs/dbraw/zinc/50/99/98/569509998.db2.gz VTBJNHLEJATXEZ-UHFFFAOYSA-N 0 0 445.483 2.933 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2csc(-c3ccsc3)n2)CC1 ZINC000009217156 569512268 /nfs/dbraw/zinc/51/22/68/569512268.db2.gz ISOREXDYBORCKW-UHFFFAOYSA-N 0 0 438.556 2.623 50 0 IFAARN O=S(=O)(c1ccc(Sc2nc(C3CC3)n(-c3ccccc3)n2)nc1)N1CCOCC1 ZINC000009207648 569511463 /nfs/dbraw/zinc/51/14/63/569511463.db2.gz RRNPGCIJCLAVCK-UHFFFAOYSA-N 0 0 443.554 2.712 50 0 IFAARN Cc1ccc(-n2c(-c3ccc(Cl)cc3)cn3c4c(nc32)n(C)c(=O)n(C)c4=O)cc1N ZINC000009210833 569511691 /nfs/dbraw/zinc/51/16/91/569511691.db2.gz IYYNNEYGIPXJML-UHFFFAOYSA-N 0 0 434.887 2.887 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(CCN2C(=O)c3cccnc3C2=O)cc1 ZINC000009211477 569511793 /nfs/dbraw/zinc/51/17/93/569511793.db2.gz UHYSPPOPCOMRGY-UHFFFAOYSA-N 0 0 435.505 2.741 50 0 IFAARN COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)c1 ZINC000009215788 569512054 /nfs/dbraw/zinc/51/20/54/569512054.db2.gz NDFJMKGOIGEMRG-BRYHAGSVSA-N 0 0 434.514 2.504 50 0 IFAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000009223335 569512925 /nfs/dbraw/zinc/51/29/25/569512925.db2.gz NLEPNVREIJWKOL-UHFFFAOYSA-N 0 0 436.555 2.582 50 0 IFAARN Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(Br)cc3)c2N)cc1F ZINC000009227028 569513345 /nfs/dbraw/zinc/51/33/45/569513345.db2.gz SVASLMPCWZDWFH-UHFFFAOYSA-N 0 0 447.268 2.961 50 0 IFAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4O[C@@H]([C@H]3C2=O)[C@@H]2C(c3ccccc3Cl)=NO[C@H]42)cc1 ZINC000009242840 569514733 /nfs/dbraw/zinc/51/47/33/569514733.db2.gz UUTHIVUPLWTDLC-LLGWXDCBSA-N 0 0 436.851 2.849 50 0 IFAARN CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1 ZINC000009243356 569514887 /nfs/dbraw/zinc/51/48/87/569514887.db2.gz VRPPOWKOEPAULJ-UHFFFAOYSA-N 0 0 435.459 2.635 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc2ccccc2n1 ZINC000009244538 569515076 /nfs/dbraw/zinc/51/50/76/569515076.db2.gz UWARTWLUYWWPAZ-OAQYLSRUSA-N 0 0 441.509 2.948 50 0 IFAARN O=C(NCc1ccncc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009245283 569515266 /nfs/dbraw/zinc/51/52/66/569515266.db2.gz PYHFZWZEJNSYNU-UHFFFAOYSA-N 0 0 425.466 2.584 50 0 IFAARN CC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)s1 ZINC000009255541 569516570 /nfs/dbraw/zinc/51/65/70/569516570.db2.gz KFSWEDUFYINUIH-JOCHJYFZSA-N 0 0 425.510 2.523 50 0 IFAARN O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000009257915 569516877 /nfs/dbraw/zinc/51/68/77/569516877.db2.gz SYURUGYOLZRCRU-UHFFFAOYSA-N 0 0 431.533 2.650 50 0 IFAARN Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000009263195 569517104 /nfs/dbraw/zinc/51/71/04/569517104.db2.gz SOXIJDSVAZTEMO-UHFFFAOYSA-N 0 0 443.460 2.595 50 0 IFAARN Cc1cc(C)cc(N2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009269411 569517629 /nfs/dbraw/zinc/51/76/29/569517629.db2.gz YEPISOALXVRNDB-NHCUHLMSSA-N 0 0 441.553 2.967 50 0 IFAARN CC[C@@H]1C(c2ccccc2)=NN(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n21 ZINC000009272126 569517833 /nfs/dbraw/zinc/51/78/33/569517833.db2.gz PHAIFNYMNBHKGG-GOSISDBHSA-N 0 0 428.496 2.809 50 0 IFAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@H](O)COc1c(C)cccc1C ZINC000009282849 569518761 /nfs/dbraw/zinc/51/87/61/569518761.db2.gz FTMSLTXZWYLQJL-KRWDZBQOSA-N 0 0 441.528 2.819 50 0 IFAARN O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000069808681 569519324 /nfs/dbraw/zinc/51/93/24/569519324.db2.gz CQQXUXKAPAMMCF-PMACEKPBSA-N 0 0 438.553 2.943 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)c(C)c1 ZINC000009288440 569519362 /nfs/dbraw/zinc/51/93/62/569519362.db2.gz HCAAMYOYKYQTBA-SFHVURJKSA-N 0 0 429.542 2.750 50 0 IFAARN C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2nncs2)n1C ZINC000009289775 569519600 /nfs/dbraw/zinc/51/96/00/569519600.db2.gz AQNDUYJZPJRYJG-VIFPVBQESA-N 0 0 437.938 2.542 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009300621 569520661 /nfs/dbraw/zinc/52/06/61/569520661.db2.gz GPUKUTGZPNJSCA-UHFFFAOYSA-N 0 0 439.578 2.612 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(CN2CCC3(C[C@H]3c3nc(-c4cccnc4)no3)CC2)o1 ZINC000069841469 569520842 /nfs/dbraw/zinc/52/08/42/569520842.db2.gz DBCCPROPDMOPMN-KRWDZBQOSA-N 0 0 443.529 2.745 50 0 IFAARN COc1ccc(OCCSc2nnc(CNC(=O)c3ccc4c(c3)OCO4)n2C)cc1 ZINC000009302483 569520849 /nfs/dbraw/zinc/52/08/49/569520849.db2.gz UWKATWFZQBXHAP-UHFFFAOYSA-N 0 0 442.497 2.654 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@H](C)C(=O)N3CCCCC3)CC2)cc1 ZINC000009306819 569521342 /nfs/dbraw/zinc/52/13/42/569521342.db2.gz CWZXEKCVSLOCHL-XEVCZEQESA-N 0 0 449.617 2.597 50 0 IFAARN O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCC1 ZINC000009315993 569522161 /nfs/dbraw/zinc/52/21/61/569522161.db2.gz BMAZJNTWKPKPNC-FQEVSTJZSA-N 0 0 442.537 2.586 50 0 IFAARN COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)Nc2ccc(=O)[nH]c2)c1OC ZINC000009315610 569522169 /nfs/dbraw/zinc/52/21/69/569522169.db2.gz OCABMHOUTACJQY-UHFFFAOYSA-N 0 0 447.444 2.584 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(NC(C)=O)cc2)NC(=O)N[C@@H]1c1cccs1 ZINC000009315659 569522203 /nfs/dbraw/zinc/52/22/03/569522203.db2.gz KUQSGXOGCYQBIR-GOSISDBHSA-N 0 0 443.481 2.735 50 0 IFAARN Cc1c(-n2c(S[C@@H]3CCOC3=O)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000009317122 569522363 /nfs/dbraw/zinc/52/23/63/569522363.db2.gz GBZLQBMURPGDPN-GOSISDBHSA-N 0 0 448.504 2.591 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000009317558 569522378 /nfs/dbraw/zinc/52/23/78/569522378.db2.gz ZRHJDTUAWFGRDI-IBGZPJMESA-N 0 0 438.871 2.610 50 0 IFAARN COc1cc(OC)cc(C(=O)NCC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c1 ZINC000009319319 569522499 /nfs/dbraw/zinc/52/24/99/569522499.db2.gz TUWLCHIMEGIGSV-IBGZPJMESA-N 0 0 442.541 2.921 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009322944 569522670 /nfs/dbraw/zinc/52/26/70/569522670.db2.gz YHOGDZIXMMGMAH-UHFFFAOYSA-N 0 0 431.514 2.698 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)NCc1ccccc1 ZINC000009335137 569523268 /nfs/dbraw/zinc/52/32/68/569523268.db2.gz ZXGODAVRCVHHID-UHFFFAOYSA-N 0 0 435.457 2.537 50 0 IFAARN CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NC1CCCCC1 ZINC000009335968 569523352 /nfs/dbraw/zinc/52/33/52/569523352.db2.gz ZHVUTPOSEYOLPS-SFHVURJKSA-N 0 0 443.997 2.794 50 0 IFAARN COc1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1 ZINC000009335674 569523340 /nfs/dbraw/zinc/52/33/40/569523340.db2.gz XJKYLLXLDCHQBT-UHFFFAOYSA-N 0 0 426.494 2.852 50 0 IFAARN Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000009336207 569523424 /nfs/dbraw/zinc/52/34/24/569523424.db2.gz REIUITNIQGPRRB-ZDUSSCGKSA-N 0 0 426.589 2.865 50 0 IFAARN CCc1ccccc1NCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009337829 569523604 /nfs/dbraw/zinc/52/36/04/569523604.db2.gz IVSZALAXBISAIC-UHFFFAOYSA-N 0 0 449.555 2.831 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCn1ccc2ccccc21 ZINC000009339396 569523816 /nfs/dbraw/zinc/52/38/16/569523816.db2.gz VDJGKVBZVXHICG-LJQANCHMSA-N 0 0 428.558 2.863 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)c1 ZINC000009340481 569523852 /nfs/dbraw/zinc/52/38/52/569523852.db2.gz YIZDFQHPOKSVMG-IZZGNVEXSA-N 0 0 448.475 2.797 50 0 IFAARN CCOC(=O)N1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4O3)c2C(=O)OC)C1 ZINC000009347569 569524260 /nfs/dbraw/zinc/52/42/60/569524260.db2.gz YVGUYLLMDVNOTP-HNNXBMFYSA-N 0 0 446.481 2.828 50 0 IFAARN CN(CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000009349042 569524599 /nfs/dbraw/zinc/52/45/99/569524599.db2.gz SUSXXPDSWDHZNB-MRXNPFEDSA-N 0 0 446.594 2.915 50 0 IFAARN CN(c1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1)S(C)(=O)=O ZINC000009356028 569525351 /nfs/dbraw/zinc/52/53/51/569525351.db2.gz GAMFIPREYXTGCC-UHFFFAOYSA-N 0 0 438.509 2.660 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)Cc2ccccc2)cc1 ZINC000009356104 569525404 /nfs/dbraw/zinc/52/54/04/569525404.db2.gz VLNXWNKSLVEUQV-UHFFFAOYSA-N 0 0 439.537 2.988 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000009365826 569526144 /nfs/dbraw/zinc/52/61/44/569526144.db2.gz OEQZAPIHYXURDD-OAHLLOKOSA-N 0 0 438.553 2.988 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nccn2Cc2ccccc2)C1=O ZINC000009367311 569526461 /nfs/dbraw/zinc/52/64/61/569526461.db2.gz LTZBJOCNGTXJPU-HSZRJFAPSA-N 0 0 449.536 2.912 50 0 IFAARN O=C(NCCN1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000069978859 569526741 /nfs/dbraw/zinc/52/67/41/569526741.db2.gz SKNCBPVZPZSPBP-QFIPXVFZSA-N 0 0 430.568 2.635 50 0 IFAARN Cn1ncc2c1ncnc2N1CCC([C@@H]2CCCCCN2C(=O)C2CCOCC2)CC1 ZINC000069981767 569526904 /nfs/dbraw/zinc/52/69/04/569526904.db2.gz QQXJXBYXZLPHSC-FQEVSTJZSA-N 0 0 426.565 2.778 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H]1CCCc3ccccc31)n2C ZINC000009378192 569527553 /nfs/dbraw/zinc/52/75/53/569527553.db2.gz QHOCWKZSYSONCB-LJQANCHMSA-N 0 0 440.569 2.950 50 0 IFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000009380813 569527997 /nfs/dbraw/zinc/52/79/97/569527997.db2.gz HSTRDVLHTUSIMC-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN CCOc1cc2c(cc1OCC)CN(Cn1nc(C(=O)NC)c3ccccc3c1=O)CC2 ZINC000009384543 569528383 /nfs/dbraw/zinc/52/83/83/569528383.db2.gz UKBRXUNAUREKGF-UHFFFAOYSA-N 0 0 436.512 2.569 50 0 IFAARN CCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCN(C(C)=O)C2 ZINC000009383251 569528399 /nfs/dbraw/zinc/52/83/99/569528399.db2.gz FNMUZVLYRLJKQR-MRXNPFEDSA-N 0 0 430.482 2.608 50 0 IFAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)CN3C(=O)NC(C)(C)C3=O)n2)cc1 ZINC000009388201 569528498 /nfs/dbraw/zinc/52/84/98/569528498.db2.gz HYSCPQMSGNSXSH-LBPRGKRZSA-N 0 0 444.513 2.573 50 0 IFAARN O=C(CN1CCc2sccc2[C@H]1c1cccs1)N1CCN(c2ncccn2)CC1 ZINC000009389572 569528579 /nfs/dbraw/zinc/52/85/79/569528579.db2.gz NONPRMRKVWRDSJ-FQEVSTJZSA-N 0 0 425.583 2.896 50 0 IFAARN O=C(COc1ccc2ccccc2c1)Nc1nnc(SCC(=O)N2CCOCC2)s1 ZINC000009391029 569528859 /nfs/dbraw/zinc/52/88/59/569528859.db2.gz WKVIGHALOUYGER-UHFFFAOYSA-N 0 0 444.538 2.660 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(F)cc3F)cc2C[C@@H]1C ZINC000009396842 569529202 /nfs/dbraw/zinc/52/92/02/569529202.db2.gz KFIDUPATUAENGT-LBPRGKRZSA-N 0 0 437.468 2.522 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCC4)C3)cc2C[C@H]1C ZINC000009397190 569529302 /nfs/dbraw/zinc/52/93/02/569529302.db2.gz PGYWGLPZWJOHHM-AEFFLSMTSA-N 0 0 447.601 2.834 50 0 IFAARN O=S(=O)(NCCCCCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000009404639 569529728 /nfs/dbraw/zinc/52/97/28/569529728.db2.gz BGCCPUNISCXXHV-UHFFFAOYSA-N 0 0 432.514 2.782 50 0 IFAARN COc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2CCCOC(C)C)cc1 ZINC000009405366 569529850 /nfs/dbraw/zinc/52/98/50/569529850.db2.gz RIMVIEPYRVHSQT-UHFFFAOYSA-N 0 0 443.529 2.741 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc(S(=O)(=O)N3CCCC3)cn1C)CC2 ZINC000009405397 569529860 /nfs/dbraw/zinc/52/98/60/569529860.db2.gz ZRTSQZIFQLWEKR-OAHLLOKOSA-N 0 0 447.557 2.586 50 0 IFAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccc(Cl)c1 ZINC000009408065 569530445 /nfs/dbraw/zinc/53/04/45/569530445.db2.gz TXKKPNOVLDMZRO-UHFFFAOYSA-N 0 0 435.889 2.671 50 0 IFAARN Cc1ccc(C)c(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)c1 ZINC000009408083 569530454 /nfs/dbraw/zinc/53/04/54/569530454.db2.gz NVFVTDVQBZTNPX-UHFFFAOYSA-N 0 0 429.498 2.635 50 0 IFAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CCCCCC1 ZINC000009408031 569530468 /nfs/dbraw/zinc/53/04/68/569530468.db2.gz VSTXXRBSPCOGIG-UHFFFAOYSA-N 0 0 449.573 2.998 50 0 IFAARN COc1ccccc1NC(=O)CN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)c1ccccc1F ZINC000009408456 569530576 /nfs/dbraw/zinc/53/05/76/569530576.db2.gz ITMQWQMUWLGHGK-QAPCUYQASA-N 0 0 449.529 2.548 50 0 IFAARN Cc1ccc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c2ccccc2F)cc1 ZINC000009408452 569530622 /nfs/dbraw/zinc/53/06/22/569530622.db2.gz AEQFSTAHVQSFLC-AEFFLSMTSA-N 0 0 433.530 2.848 50 0 IFAARN O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009413959 569531876 /nfs/dbraw/zinc/53/18/76/569531876.db2.gz SSXVBXUZBLOOSS-IBGZPJMESA-N 0 0 431.489 2.744 50 0 IFAARN Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000009415913 569532275 /nfs/dbraw/zinc/53/22/75/569532275.db2.gz NCBPXWGCLMMKEQ-LJQANCHMSA-N 0 0 448.566 2.511 50 0 IFAARN COc1ccc(Cn2nnnc2S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000009416443 569532313 /nfs/dbraw/zinc/53/23/13/569532313.db2.gz SKMKDNHNOBEKQT-CYBMUJFWSA-N 0 0 427.486 2.621 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1OC ZINC000009416541 569532333 /nfs/dbraw/zinc/53/23/33/569532333.db2.gz MPBATPWYPMITRY-UHFFFAOYSA-N 0 0 433.468 2.855 50 0 IFAARN O=C(NCc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000009427957 569533454 /nfs/dbraw/zinc/53/34/54/569533454.db2.gz QATLHPGPXZZZLD-OAQYLSRUSA-N 0 0 427.460 2.920 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)NCc3ccccc3)C(C)C)cc2C[C@H]1C ZINC000009429253 569533645 /nfs/dbraw/zinc/53/36/45/569533645.db2.gz LUHUMGAGVRKHGA-ZHRRBRCNSA-N 0 0 443.569 2.603 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)NCc3cccs3)C(C)C)cc2C[C@@H]1C ZINC000009429241 569533655 /nfs/dbraw/zinc/53/36/55/569533655.db2.gz VVHKPRMKHBDISU-XOBRGWDASA-N 0 0 449.598 2.665 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc3c2C(=O)NC3=O)ccc1Cl ZINC000009440150 569535129 /nfs/dbraw/zinc/53/51/29/569535129.db2.gz MIMFXWJPYIWEPG-UHFFFAOYSA-N 0 0 435.889 2.506 50 0 IFAARN CC1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)CC1 ZINC000009439215 569535039 /nfs/dbraw/zinc/53/50/39/569535039.db2.gz DAYYFKVAMWUGOJ-UHFFFAOYSA-N 0 0 431.558 2.624 50 0 IFAARN CCOc1ccc(OCC)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000009440206 569535170 /nfs/dbraw/zinc/53/51/70/569535170.db2.gz SIIFDJKFGNPBON-UHFFFAOYSA-N 0 0 448.497 2.617 50 0 IFAARN Cc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000009440796 569535237 /nfs/dbraw/zinc/53/52/37/569535237.db2.gz KXTZKCQUZQZECQ-OAHLLOKOSA-N 0 0 432.567 2.950 50 0 IFAARN O=C(COC(=O)c1ccccc1SCC(=O)NCc1ccco1)NCc1ccco1 ZINC000009441545 569535348 /nfs/dbraw/zinc/53/53/48/569535348.db2.gz SACWSAMSJLETPY-UHFFFAOYSA-N 0 0 428.466 2.754 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000009442869 569535660 /nfs/dbraw/zinc/53/56/60/569535660.db2.gz RMWBDBKXPXFZJJ-FQEVSTJZSA-N 0 0 432.432 2.590 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 ZINC000009445454 569535836 /nfs/dbraw/zinc/53/58/36/569535836.db2.gz TXUHAMAKSICOJE-UHFFFAOYSA-N 0 0 441.509 2.776 50 0 IFAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 ZINC000009445452 569535840 /nfs/dbraw/zinc/53/58/40/569535840.db2.gz ZLXDMUGQRUICDU-UHFFFAOYSA-N 0 0 429.498 2.633 50 0 IFAARN CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@]12c1cc(F)ccc1NC2=O ZINC000009446600 569535956 /nfs/dbraw/zinc/53/59/56/569535956.db2.gz HZDYOIJXRNORLZ-QHCPKHFHSA-N 0 0 434.427 2.684 50 0 IFAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000009447253 569536025 /nfs/dbraw/zinc/53/60/25/569536025.db2.gz AIFNZDMIXPKQOE-UHFFFAOYSA-N 0 0 428.492 2.784 50 0 IFAARN C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCc1ccccc1 ZINC000009448791 569536129 /nfs/dbraw/zinc/53/61/29/569536129.db2.gz DHJHDWGJUIOZEX-YWBKXGLFSA-N 0 0 437.565 2.899 50 0 IFAARN COc1ccc(Cn2c(C)c(C)n3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1 ZINC000009451297 569536388 /nfs/dbraw/zinc/53/63/88/569536388.db2.gz JMUUSBCEFFPPTA-UHFFFAOYSA-N 0 0 443.507 2.871 50 0 IFAARN O=C(CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1cc(Cl)ccc1F ZINC000009455562 569536739 /nfs/dbraw/zinc/53/67/39/569536739.db2.gz WJNBOOQLJZYBBY-UHFFFAOYSA-N 0 0 445.875 2.690 50 0 IFAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)cc1 ZINC000009459726 569536839 /nfs/dbraw/zinc/53/68/39/569536839.db2.gz BQPSQWDOEKWMEP-UHFFFAOYSA-N 0 0 429.502 2.806 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000009460274 569536936 /nfs/dbraw/zinc/53/69/36/569536936.db2.gz JJZZYGWZMJORKZ-QGZVFWFLSA-N 0 0 431.583 2.584 50 0 IFAARN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCN1C(=O)c2ccccc2C1=O ZINC000009461306 569537042 /nfs/dbraw/zinc/53/70/42/569537042.db2.gz UHPUPQUFIHFTLA-UHFFFAOYSA-N 0 0 442.541 2.593 50 0 IFAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000009462614 569537270 /nfs/dbraw/zinc/53/72/70/569537270.db2.gz UCASHEFULBEDKL-FCGDIQPGSA-N 0 0 438.281 2.917 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1 ZINC000009465365 569537926 /nfs/dbraw/zinc/53/79/26/569537926.db2.gz VADABABTFMFPQM-KRWDZBQOSA-N 0 0 444.553 2.993 50 0 IFAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)C1=O ZINC000009465563 569537986 /nfs/dbraw/zinc/53/79/86/569537986.db2.gz IBSUYQZEVZGBIO-QFIPXVFZSA-N 0 0 441.415 2.553 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O ZINC000009466589 569538225 /nfs/dbraw/zinc/53/82/25/569538225.db2.gz QNVLYKJTTXFKLF-UHFFFAOYSA-N 0 0 445.523 2.937 50 0 IFAARN O=C(NCCCn1cnc2ccccc21)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000009466793 569538229 /nfs/dbraw/zinc/53/82/29/569538229.db2.gz KYJFGBFSCBNQPE-UHFFFAOYSA-N 0 0 432.933 2.951 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)Nc1ccccc1OC ZINC000009467046 569538314 /nfs/dbraw/zinc/53/83/14/569538314.db2.gz GTRPEOFDOSWDNY-LBPRGKRZSA-N 0 0 434.543 2.832 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000009467547 569538433 /nfs/dbraw/zinc/53/84/33/569538433.db2.gz VGFURWSEOLHSAI-CMJOXMDJSA-N 0 0 425.533 2.598 50 0 IFAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1 ZINC000009467953 569538565 /nfs/dbraw/zinc/53/85/65/569538565.db2.gz BVMZUQWISGJBCQ-UHFFFAOYSA-N 0 0 433.505 2.677 50 0 IFAARN Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000009476835 569539071 /nfs/dbraw/zinc/53/90/71/569539071.db2.gz FFSRDTVTDKNCCX-QGZVFWFLSA-N 0 0 437.496 2.992 50 0 IFAARN COc1ccc(CCNC(=O)c2nnn(-c3cccc(Br)c3)c2N)cc1OC ZINC000009476596 569539099 /nfs/dbraw/zinc/53/90/99/569539099.db2.gz JOMJCEKEDVQDNE-UHFFFAOYSA-N 0 0 446.305 2.602 50 0 IFAARN CCCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CCCOC ZINC000009481331 569539463 /nfs/dbraw/zinc/53/94/63/569539463.db2.gz VFQXWPBJFWZCIP-UHFFFAOYSA-N 0 0 425.942 2.963 50 0 IFAARN COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000009489330 569539969 /nfs/dbraw/zinc/53/99/69/569539969.db2.gz QHBCFJXRIWICHP-LLVKDONJSA-N 0 0 426.878 2.871 50 0 IFAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCc1ccc(F)cc1 ZINC000009492149 569540504 /nfs/dbraw/zinc/54/05/04/569540504.db2.gz SVBQXZGSILDUFI-QGZVFWFLSA-N 0 0 428.526 2.724 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 ZINC000009492625 569540617 /nfs/dbraw/zinc/54/06/17/569540617.db2.gz PATBHHFJMBNDLQ-UHFFFAOYSA-N 0 0 434.495 2.762 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000009494017 569540812 /nfs/dbraw/zinc/54/08/12/569540812.db2.gz AWRCNIWXZRQUOV-DEOSSOPVSA-N 0 0 431.496 2.665 50 0 IFAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O ZINC000009494122 569540878 /nfs/dbraw/zinc/54/08/78/569540878.db2.gz PLXUFHHNMJXLJO-XMMPIXPASA-N 0 0 435.480 2.742 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NC1CCCCCC1 ZINC000009502079 569541653 /nfs/dbraw/zinc/54/16/53/569541653.db2.gz ILGNRUAZFJYOQQ-INIZCTEOSA-N 0 0 449.573 2.997 50 0 IFAARN CCOC(=O)C1CCN([C@@H](C)C(=O)Nc2c(C(=O)OC)[nH]c3cccc(OC)c32)CC1 ZINC000009501657 569541661 /nfs/dbraw/zinc/54/16/61/569541661.db2.gz JGLMKHSAWNXELS-ZDUSSCGKSA-N 0 0 431.489 2.565 50 0 IFAARN COc1ccc(NC(=O)c2cccc3c2O[C@H](C)[C@H]3C)cc1S(=O)(=O)N1CCOCC1 ZINC000009502436 569541738 /nfs/dbraw/zinc/54/17/38/569541738.db2.gz NLQPETYCJIQZLU-HUUCEWRRSA-N 0 0 446.525 2.853 50 0 IFAARN COc1ccc(C(=O)NCCc2nnc(S[C@@H](C)C(=O)NC3CCCCC3)n2C)cc1 ZINC000009505857 569541865 /nfs/dbraw/zinc/54/18/65/569541865.db2.gz PBGFHWODXMNLLE-HNNXBMFYSA-N 0 0 445.589 2.726 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCC(=O)N2CCc3ccccc32)cc1 ZINC000009504182 569541866 /nfs/dbraw/zinc/54/18/66/569541866.db2.gz RNGNSCWATMWFLO-OAQYLSRUSA-N 0 0 442.537 2.671 50 0 IFAARN COc1ccc(C(=O)NCCc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000009507483 569542052 /nfs/dbraw/zinc/54/20/52/569542052.db2.gz QMRFYXCXHOTMTC-UHFFFAOYSA-N 0 0 446.569 2.812 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000009509281 569542512 /nfs/dbraw/zinc/54/25/12/569542512.db2.gz IDONSMYBCKOYLO-UHFFFAOYSA-N 0 0 449.485 2.653 50 0 IFAARN CCCn1c2nc(C(C)(C)C)nc(SCC(=O)Nc3ccccc3)c2c(=O)n(C)c1=O ZINC000009509540 569542548 /nfs/dbraw/zinc/54/25/48/569542548.db2.gz SJYFDTIUQRKYSP-UHFFFAOYSA-N 0 0 441.557 2.929 50 0 IFAARN C[C@H](NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009509715 569542659 /nfs/dbraw/zinc/54/26/59/569542659.db2.gz GXTMJZXSPXTDGQ-JTQLQIEISA-N 0 0 430.408 2.502 50 0 IFAARN COC(=O)C1CCN(C(=O)c2cc3c(nc4ccccn4c3=O)n2Cc2ccccc2)CC1 ZINC000009510518 569542762 /nfs/dbraw/zinc/54/27/62/569542762.db2.gz NYNZMWMXSNMJGT-UHFFFAOYSA-N 0 0 444.491 2.723 50 0 IFAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C2=O ZINC000009512432 569542994 /nfs/dbraw/zinc/54/29/94/569542994.db2.gz KUVXYLYSUNSDPR-NPMXOYFQSA-N 0 0 438.484 2.649 50 0 IFAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C2=O ZINC000009512430 569543000 /nfs/dbraw/zinc/54/30/00/569543000.db2.gz KUVXYLYSUNSDPR-IQMFZBJNSA-N 0 0 438.484 2.649 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NC[C@@H]2CCCO2)s1 ZINC000009514715 569543250 /nfs/dbraw/zinc/54/32/50/569543250.db2.gz JAUPHXOFFPEHPI-STQMWFEESA-N 0 0 433.559 2.985 50 0 IFAARN Nc1nc(SCC(=O)Nc2ccc(F)cc2F)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518054 569543832 /nfs/dbraw/zinc/54/38/32/569543832.db2.gz ITASWIFJFHQPFB-UHFFFAOYSA-N 0 0 449.414 2.753 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2cccc4ccccc42)c1=O)CCN3Cc1ccco1 ZINC000009518812 569544192 /nfs/dbraw/zinc/54/41/92/569544192.db2.gz CWIXXOUEYVCWDW-UHFFFAOYSA-N 0 0 427.464 2.711 50 0 IFAARN CCN(CC)C(=O)CS(=O)(=O)c1cn(CC(=O)N(C(C)C)C(C)C)c2ccccc12 ZINC000009519936 569544372 /nfs/dbraw/zinc/54/43/72/569544372.db2.gz XGNRXYVRAFZUKI-UHFFFAOYSA-N 0 0 435.590 2.929 50 0 IFAARN COc1ccccc1NC(=O)CN1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2 ZINC000009526844 569544584 /nfs/dbraw/zinc/54/45/84/569544584.db2.gz VTTJRWKIXPHWLO-UHFFFAOYSA-N 0 0 426.904 2.698 50 0 IFAARN O=C(CN1CCC2(CC1)N=C(c1cccc(Cl)c1)C(=O)N2)Nc1ccc(F)cc1F ZINC000009526861 569544588 /nfs/dbraw/zinc/54/45/88/569544588.db2.gz VUNWWGPIMWSEGJ-UHFFFAOYSA-N 0 0 432.858 2.968 50 0 IFAARN Cc1ccsc1CCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009530044 569544956 /nfs/dbraw/zinc/54/49/56/569544956.db2.gz FRUXCILCLTZLRG-AEFFLSMTSA-N 0 0 449.623 2.638 50 0 IFAARN O=C(c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)N1CCCCC1 ZINC000009531777 569545256 /nfs/dbraw/zinc/54/52/56/569545256.db2.gz JODAFRBQBRYVSQ-UHFFFAOYSA-N 0 0 430.526 2.953 50 0 IFAARN COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(F)cc4)n3N)n[nH]2)cc1 ZINC000009541046 569545837 /nfs/dbraw/zinc/54/58/37/569545837.db2.gz OQDABEKWPONKHP-UHFFFAOYSA-N 0 0 439.476 2.928 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)cc1 ZINC000009541859 569545908 /nfs/dbraw/zinc/54/59/08/569545908.db2.gz LQADKUCQVWCXMP-UHFFFAOYSA-N 0 0 448.512 2.738 50 0 IFAARN COc1ccc(Cn2nnnc2SCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000009549060 569546572 /nfs/dbraw/zinc/54/65/72/569546572.db2.gz UGBDNAFWUOITKB-UHFFFAOYSA-N 0 0 438.513 2.588 50 0 IFAARN Cc1cc(C(=O)Cn2c(=O)c(F)cn([C@@H]3CCCO3)c2=O)c(C)n1Cc1cccs1 ZINC000009548861 569546573 /nfs/dbraw/zinc/54/65/73/569546573.db2.gz FQUQKXMHXWYEDN-IBGZPJMESA-N 0 0 431.489 2.869 50 0 IFAARN CC1CCN(C(=O)Cn2cc(S(=O)(=O)N3CCC(C)CC3)c3ccccc3c2=O)CC1 ZINC000009559315 569546974 /nfs/dbraw/zinc/54/69/74/569546974.db2.gz IZFKTBURZDKNFQ-UHFFFAOYSA-N 0 0 445.585 2.681 50 0 IFAARN O=C(COC(=O)c1ccc(I)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000009562053 569547204 /nfs/dbraw/zinc/54/72/04/569547204.db2.gz ZJFWYJTXOKMYDU-UHFFFAOYSA-N 0 0 437.189 2.662 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000009561872 569547205 /nfs/dbraw/zinc/54/72/05/569547205.db2.gz MLCGEXAPPSPVOE-IBGZPJMESA-N 0 0 449.484 2.578 50 0 IFAARN O=S(=O)(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000009571188 569547665 /nfs/dbraw/zinc/54/76/65/569547665.db2.gz BCFPZRFJZCHEHJ-UHFFFAOYSA-N 0 0 428.699 2.557 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1 ZINC000009572672 569547841 /nfs/dbraw/zinc/54/78/41/569547841.db2.gz LKJRTJJOVJQKDQ-UHFFFAOYSA-N 0 0 431.495 2.551 50 0 IFAARN CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000009575323 569547943 /nfs/dbraw/zinc/54/79/43/569547943.db2.gz UQPDMBZERAILAU-UHFFFAOYSA-N 0 0 438.513 2.684 50 0 IFAARN CCn1c2ccc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cc2[nH]c(=O)c1=O ZINC000009577883 569548247 /nfs/dbraw/zinc/54/82/47/569548247.db2.gz ICMBXVOGFFRFCQ-UHFFFAOYSA-N 0 0 444.495 2.947 50 0 IFAARN CCOC(=O)[C@@H](CC)Sc1ccc2nnc(CCNC(=O)c3ccc(C)cc3)n2n1 ZINC000009578545 569548343 /nfs/dbraw/zinc/54/83/43/569548343.db2.gz MDVPDNDALFXRFR-MRXNPFEDSA-N 0 0 427.530 2.839 50 0 IFAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCc1ccc(N3CCCC3=O)cc1)C2=O ZINC000009579052 569548432 /nfs/dbraw/zinc/54/84/32/569548432.db2.gz WIYDWXIGYQZYDP-FYSMJZIKSA-N 0 0 440.544 2.566 50 0 IFAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCc1ccc(N3CCCC3=O)cc1)C2=O ZINC000009579054 569548435 /nfs/dbraw/zinc/54/84/35/569548435.db2.gz WIYDWXIGYQZYDP-UPCLLVRISA-N 0 0 440.544 2.566 50 0 IFAARN COc1ccc(CNC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000009579767 569548544 /nfs/dbraw/zinc/54/85/44/569548544.db2.gz YVASOUQSQPOMCH-QHCPKHFHSA-N 0 0 446.503 2.896 50 0 IFAARN O=C(COc1ccc(-c2nnco2)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009580738 569548826 /nfs/dbraw/zinc/54/88/26/569548826.db2.gz KPOZKAAQPGVGNS-UHFFFAOYSA-N 0 0 428.470 2.539 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000009581824 569549172 /nfs/dbraw/zinc/54/91/72/569549172.db2.gz KEFBQGACMFGDQS-NRFANRHFSA-N 0 0 441.553 2.591 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000009584843 569549427 /nfs/dbraw/zinc/54/94/27/569549427.db2.gz FLEFRSZRLROBIQ-MYYSRTQBSA-N 0 0 432.480 2.534 50 0 IFAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 ZINC000009586575 569549693 /nfs/dbraw/zinc/54/96/93/569549693.db2.gz ULURRNREKGMARP-UHFFFAOYSA-N 0 0 439.497 2.547 50 0 IFAARN COc1ccc(OC(C)=O)c(C2=NN(C(C)=O)[C@@H](CN(C(C)=O)c3ccc(C)cc3)O2)c1 ZINC000009587220 569549793 /nfs/dbraw/zinc/54/97/93/569549793.db2.gz IEOYWCSQHGBTLN-JOCHJYFZSA-N 0 0 439.468 2.848 50 0 IFAARN CN(Cc1ccc(Br)s1)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000009590531 569550001 /nfs/dbraw/zinc/55/00/01/569550001.db2.gz RRBUXLGMAWQURC-UHFFFAOYSA-N 0 0 442.360 2.598 50 0 IFAARN O=C(NCc1ccco1)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000009591288 569550156 /nfs/dbraw/zinc/55/01/56/569550156.db2.gz KGYILCAFUXKCDU-GJZGRUSLSA-N 0 0 425.919 2.543 50 0 IFAARN O=C(c1ccc(-n2cccn2)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000009593555 569550442 /nfs/dbraw/zinc/55/04/42/569550442.db2.gz ADNSXKPVHSFQTD-IBGZPJMESA-N 0 0 429.480 2.930 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000009596722 569550831 /nfs/dbraw/zinc/55/08/31/569550831.db2.gz POBKULICGYHNSB-UHFFFAOYSA-N 0 0 438.509 2.846 50 0 IFAARN CCOCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)o1 ZINC000009596543 569550841 /nfs/dbraw/zinc/55/08/41/569550841.db2.gz JNRKOKBIQUCXKD-UHFFFAOYSA-N 0 0 432.542 2.842 50 0 IFAARN Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1cc(=O)n2ccccc2n1 ZINC000009599031 569551130 /nfs/dbraw/zinc/55/11/30/569551130.db2.gz RMEAPKWHDHHJMP-UHFFFAOYSA-N 0 0 430.489 2.887 50 0 IFAARN Cc1sc2nc(C)nc(SCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)c2c1C ZINC000009602683 569551738 /nfs/dbraw/zinc/55/17/38/569551738.db2.gz WBUCYCCYTUCIFF-UHFFFAOYSA-N 0 0 447.586 2.690 50 0 IFAARN COc1cccc(-n2c(=O)c3c(nc2SCC(=O)Nc2nnc(C)s2)CCS3)c1 ZINC000009603035 569551780 /nfs/dbraw/zinc/55/17/80/569551780.db2.gz IAOCQBPXJPYSBA-UHFFFAOYSA-N 0 0 447.567 2.780 50 0 IFAARN COc1ccc(CCNC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000009608422 569552131 /nfs/dbraw/zinc/55/21/31/569552131.db2.gz PMZBRFLIAATQIL-UHFFFAOYSA-N 0 0 431.920 2.954 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000009608493 569552156 /nfs/dbraw/zinc/55/21/56/569552156.db2.gz ATAILWRYOSXJJM-OYLFLEFRSA-N 0 0 435.480 2.593 50 0 IFAARN CCc1cccc(-n2c(SCc3nnnn3-c3ccccc3)nnc2N2CCOCC2)c1 ZINC000009609714 569552355 /nfs/dbraw/zinc/55/23/55/569552355.db2.gz FXXIUGFOGKZNNI-UHFFFAOYSA-N 0 0 448.556 2.934 50 0 IFAARN Cc1nc2c(c(C)c1CCC(=O)N1CCC(Cc3ccccc3)CC1)c(=O)n(C)c(=O)n2C ZINC000009610416 569552542 /nfs/dbraw/zinc/55/25/42/569552542.db2.gz GMCRJPIYXMPINF-UHFFFAOYSA-N 0 0 448.567 2.663 50 0 IFAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000009613137 569552986 /nfs/dbraw/zinc/55/29/86/569552986.db2.gz GQQURQYANKASAC-NRFANRHFSA-N 0 0 439.475 2.666 50 0 IFAARN CC[C@@H](NC(=O)CN(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)c1ccc(C)cc1 ZINC000009613885 569553102 /nfs/dbraw/zinc/55/31/02/569553102.db2.gz OBSJXGWZGUUXHV-HXUWFJFHSA-N 0 0 449.555 2.569 50 0 IFAARN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)c(Cl)c1 ZINC000009615277 569553194 /nfs/dbraw/zinc/55/31/94/569553194.db2.gz OAWAZQWPBQPRGZ-UHFFFAOYSA-N 0 0 434.848 2.560 50 0 IFAARN O=C(Nc1nnc(Cc2ccccc2)s1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009631917 569553854 /nfs/dbraw/zinc/55/38/54/569553854.db2.gz SNLLXHQAJOQFSB-HNNXBMFYSA-N 0 0 436.493 2.892 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000009632474 569554005 /nfs/dbraw/zinc/55/40/05/569554005.db2.gz BGOGVUWUZHPGOU-AWEZNQCLSA-N 0 0 438.933 2.940 50 0 IFAARN Cc1cc(C)c(C(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1C ZINC000009632681 569554100 /nfs/dbraw/zinc/55/41/00/569554100.db2.gz PHNYEVAYSOWXDT-UHFFFAOYSA-N 0 0 449.500 2.812 50 0 IFAARN NC(=O)NC(=O)[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000009634076 569554378 /nfs/dbraw/zinc/55/43/78/569554378.db2.gz GIRCPUDLKVAVAY-CYBMUJFWSA-N 0 0 438.391 2.589 50 0 IFAARN CCCCn1c2ncn(CCOC)c2c(=O)n(Cc2coc(-c3cccs3)n2)c1=O ZINC000009635080 569554574 /nfs/dbraw/zinc/55/45/74/569554574.db2.gz KEVVDTNHGDWMLN-UHFFFAOYSA-N 0 0 429.502 2.571 50 0 IFAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 ZINC000009637059 569554817 /nfs/dbraw/zinc/55/48/17/569554817.db2.gz RZTGLIOOBLQUQU-WMZHIEFXSA-N 0 0 437.521 2.854 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)OCc3cc(=O)oc4cc(O)ccc34)CC2=O)c(OC)c1 ZINC000009639763 569555236 /nfs/dbraw/zinc/55/52/36/569555236.db2.gz NYQAVKHKHRJXJU-CYBMUJFWSA-N 0 0 439.420 2.612 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2c(C)onc2-c2ccccc2Cl)NC(=O)N[C@@H]1C ZINC000009639802 569555289 /nfs/dbraw/zinc/55/52/89/569555289.db2.gz CGROAEBOTCBSMK-SNVBAGLBSA-N 0 0 433.848 2.979 50 0 IFAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000009639939 569555297 /nfs/dbraw/zinc/55/52/97/569555297.db2.gz OLAKFUJMJAEKCJ-AWEZNQCLSA-N 0 0 426.897 2.780 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N[C@H](C)CCc1ccccc1 ZINC000009645347 569556054 /nfs/dbraw/zinc/55/60/54/569556054.db2.gz VMIJXCBYLQVMRQ-OAHLLOKOSA-N 0 0 446.598 2.933 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(OC)cc3)n2C)CC1 ZINC000009645085 569556055 /nfs/dbraw/zinc/55/60/55/569556055.db2.gz BUOVQTHKJRXVMU-AWEZNQCLSA-N 0 0 432.546 2.773 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000009645342 569556074 /nfs/dbraw/zinc/55/60/74/569556074.db2.gz VMIJXCBYLQVMRQ-HNNXBMFYSA-N 0 0 446.598 2.933 50 0 IFAARN COC(=O)c1cc(-c2ccccc2OC)nc2c1c(=O)n(C)c(=O)n2Cc1ccccc1 ZINC000009644584 569556086 /nfs/dbraw/zinc/55/60/86/569556086.db2.gz SXGXMYGLHIMPCC-UHFFFAOYSA-N 0 0 431.448 2.606 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1C ZINC000009650467 569556489 /nfs/dbraw/zinc/55/64/89/569556489.db2.gz MKHNBRABJQLTKO-UHFFFAOYSA-N 0 0 433.511 2.665 50 0 IFAARN Cn1cc(C(=O)NCc2ccc(Cl)cc2)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 ZINC000009659638 569556684 /nfs/dbraw/zinc/55/66/84/569556684.db2.gz HNRGVKIJNYCFOX-UHFFFAOYSA-N 0 0 426.835 2.740 50 0 IFAARN CC1CCN(C(=O)C2CCN(C(=O)[C@H](C(=O)c3ccccc3)n3ccccc3=O)CC2)CC1 ZINC000009659897 569556697 /nfs/dbraw/zinc/55/66/97/569556697.db2.gz ULDAONYYYRPCKV-QHCPKHFHSA-N 0 0 449.551 2.769 50 0 IFAARN CCc1c(C)nc(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)[nH]c1=O ZINC000009660400 569556843 /nfs/dbraw/zinc/55/68/43/569556843.db2.gz UWSDWUQEQHCMTB-KRWDZBQOSA-N 0 0 448.527 2.743 50 0 IFAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000009664668 569557462 /nfs/dbraw/zinc/55/74/62/569557462.db2.gz LIATWDYABQIHBE-KRWDZBQOSA-N 0 0 433.599 2.654 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)c2ccccc2O)cc1S(=O)(=O)N1CCCCC1 ZINC000009665733 569557591 /nfs/dbraw/zinc/55/75/91/569557591.db2.gz XOYWTFQTOCEILZ-UHFFFAOYSA-N 0 0 432.498 2.671 50 0 IFAARN Cc1oc2cc(O[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 ZINC000009666040 569557635 /nfs/dbraw/zinc/55/76/35/569557635.db2.gz BMKTXQDWQOBCMN-RDJZCZTQSA-N 0 0 441.505 2.839 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)C(=O)CSc1nnc(-c2ccccc2F)n1N ZINC000009666293 569557673 /nfs/dbraw/zinc/55/76/73/569557673.db2.gz SGUNAISVFIVVJX-UHFFFAOYSA-N 0 0 442.520 2.550 50 0 IFAARN COc1cc(CCC(=O)OCC(=O)NCc2cc(C)c(O)c(C)c2)cc(OC)c1OC ZINC000009666280 569557676 /nfs/dbraw/zinc/55/76/76/569557676.db2.gz CZUOGOULJPBZDR-UHFFFAOYSA-N 0 0 431.485 2.827 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1F ZINC000009667914 569557846 /nfs/dbraw/zinc/55/78/46/569557846.db2.gz IQHLDXLXKAADOZ-UHFFFAOYSA-N 0 0 433.505 2.857 50 0 IFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009671651 569558607 /nfs/dbraw/zinc/55/86/07/569558607.db2.gz YZYUAMTXWKLOGK-UHFFFAOYSA-N 0 0 441.534 2.847 50 0 IFAARN Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cn21 ZINC000009672251 569558730 /nfs/dbraw/zinc/55/87/30/569558730.db2.gz KMQVHJLQZNYPSF-HZPDHXFCSA-N 0 0 428.514 2.693 50 0 IFAARN CCn1c(CCC(=O)NCc2ccc(C)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009672155 569558764 /nfs/dbraw/zinc/55/87/64/569558764.db2.gz PFLGSZNXORERHA-UHFFFAOYSA-N 0 0 428.558 2.864 50 0 IFAARN COc1ccc(CCNC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)cc1OC ZINC000009673267 569558916 /nfs/dbraw/zinc/55/89/16/569558916.db2.gz NWFFWQCLKAGQDV-UHFFFAOYSA-N 0 0 426.469 2.545 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)o2)cc1 ZINC000009673805 569559003 /nfs/dbraw/zinc/55/90/03/569559003.db2.gz KASYOWOCEUZVNS-UHFFFAOYSA-N 0 0 428.470 2.748 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1OC ZINC000009673981 569559008 /nfs/dbraw/zinc/55/90/08/569559008.db2.gz LWHJBCFQZCRJAA-UHFFFAOYSA-N 0 0 446.460 2.887 50 0 IFAARN O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NCc2ccccc2)o1 ZINC000009673899 569559009 /nfs/dbraw/zinc/55/90/09/569559009.db2.gz ODDKCNJYRPNJBE-UHFFFAOYSA-N 0 0 446.916 2.827 50 0 IFAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000009677424 569559529 /nfs/dbraw/zinc/55/95/29/569559529.db2.gz KDCMFDDZGMCGBE-UHFFFAOYSA-N 0 0 444.538 2.933 50 0 IFAARN COCCCNC(=O)c1cnc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2c1O ZINC000009680153 569560080 /nfs/dbraw/zinc/56/00/80/569560080.db2.gz WWEIJMCDKFUNAN-UHFFFAOYSA-N 0 0 443.525 2.712 50 0 IFAARN CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2c(c1)OC[C@H](C(=O)N1CCCC1)O2 ZINC000009683474 569560392 /nfs/dbraw/zinc/56/03/92/569560392.db2.gz CPLDBFKMACLWME-OAQYLSRUSA-N 0 0 446.525 2.673 50 0 IFAARN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OCC)C3)s2)on1 ZINC000009688944 569560872 /nfs/dbraw/zinc/56/08/72/569560872.db2.gz XJIZXOUTLIYKNG-LBPRGKRZSA-N 0 0 442.515 2.544 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)NCc3cccs3)C(C)C)ccc21 ZINC000009692149 569561069 /nfs/dbraw/zinc/56/10/69/569561069.db2.gz BGHBBWYYUIMDGE-HXUWFJFHSA-N 0 0 449.598 2.667 50 0 IFAARN COCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2cc(Cl)ccc2c1=O ZINC000009703891 569561416 /nfs/dbraw/zinc/56/14/16/569561416.db2.gz SDTHRLXILAXHCX-UHFFFAOYSA-N 0 0 446.916 2.526 50 0 IFAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000009704233 569561469 /nfs/dbraw/zinc/56/14/69/569561469.db2.gz OGJOFJGLAAZEPH-UHFFFAOYSA-N 0 0 435.473 2.503 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccc(F)cc1)=NN3C/C=C/c1ccccc1 ZINC000009707560 569561540 /nfs/dbraw/zinc/56/15/40/569561540.db2.gz NYGJNQYFZXAEJF-RMKNXTFCSA-N 0 0 444.470 2.511 50 0 IFAARN CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)CC)c2)sc2c1CCN(C)C2 ZINC000009707740 569561656 /nfs/dbraw/zinc/56/16/56/569561656.db2.gz OFDAKIWZTACXDA-UHFFFAOYSA-N 0 0 436.555 2.959 50 0 IFAARN CCCCc1ccc(-n2c(C)cn3c2nc2c3c(=O)n([C@H](C)C(=O)OC)c(=O)n2C)cc1 ZINC000009712991 569562410 /nfs/dbraw/zinc/56/24/10/569562410.db2.gz MCBKSJDQOBAMMX-OAHLLOKOSA-N 0 0 437.500 2.524 50 0 IFAARN COCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000009713515 569562631 /nfs/dbraw/zinc/56/26/31/569562631.db2.gz UJCBCJKHLLRPCM-UHFFFAOYSA-N 0 0 428.514 2.716 50 0 IFAARN CCn1c(CN(C)Cc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009714157 569562772 /nfs/dbraw/zinc/56/27/72/569562772.db2.gz VZAVEOBVDYEZGQ-UHFFFAOYSA-N 0 0 434.587 2.771 50 0 IFAARN O=C(COC(=O)Cc1ccsc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009716273 569563128 /nfs/dbraw/zinc/56/31/28/569563128.db2.gz MRASGRAKIWYLCT-UHFFFAOYSA-N 0 0 442.946 2.910 50 0 IFAARN Cc1cc(C(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(Cc3ccccc3)c2=O)c(C)n1C ZINC000009716354 569563236 /nfs/dbraw/zinc/56/32/36/569563236.db2.gz LGMHWGWXLDSVHF-UHFFFAOYSA-N 0 0 447.539 2.902 50 0 IFAARN Cc1cc(Br)ccc1SCC(=O)OCC(=O)NC(=O)c1cccn1C ZINC000009722852 569563502 /nfs/dbraw/zinc/56/35/02/569563502.db2.gz COXIWFCCIHUUPS-UHFFFAOYSA-N 0 0 425.304 2.688 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000009723086 569563530 /nfs/dbraw/zinc/56/35/30/569563530.db2.gz FJFAMDBURHOFIY-UHFFFAOYSA-N 0 0 442.541 2.855 50 0 IFAARN Cc1ccccc1-c1nnc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1C ZINC000009724065 569563651 /nfs/dbraw/zinc/56/36/51/569563651.db2.gz YBXXXWBVKFLOIF-QGZVFWFLSA-N 0 0 448.614 2.841 50 0 IFAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1 ZINC000009725785 569563849 /nfs/dbraw/zinc/56/38/49/569563849.db2.gz ZHFVXADJAVJNCV-UHFFFAOYSA-N 0 0 449.540 2.716 50 0 IFAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000009727715 569564076 /nfs/dbraw/zinc/56/40/76/569564076.db2.gz KODBCISABFYKFM-LJQANCHMSA-N 0 0 443.525 2.523 50 0 IFAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009729805 569564266 /nfs/dbraw/zinc/56/42/66/569564266.db2.gz RQVMGVWUYLKXSI-ICSRJNTNSA-N 0 0 425.916 2.631 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(OC)c2)NC(=O)N[C@H]1c1ccccc1 ZINC000009730192 569564366 /nfs/dbraw/zinc/56/43/66/569564366.db2.gz YUQFRZPKTSQXIJ-FQEVSTJZSA-N 0 0 440.452 2.732 50 0 IFAARN CN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000009733503 569564767 /nfs/dbraw/zinc/56/47/67/569564767.db2.gz GYUCITLZYJLOBZ-UHFFFAOYSA-N 0 0 443.978 2.764 50 0 IFAARN COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009740172 569565140 /nfs/dbraw/zinc/56/51/40/569565140.db2.gz VCILJBNTHGCSAZ-HXUWFJFHSA-N 0 0 442.493 2.867 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)CCCC2 ZINC000009741009 569565182 /nfs/dbraw/zinc/56/51/82/569565182.db2.gz IRIWMKLSKGGXGA-INIZCTEOSA-N 0 0 447.582 2.908 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009740999 569565224 /nfs/dbraw/zinc/56/52/24/569565224.db2.gz SKTMTDYBTYZVEK-IBGZPJMESA-N 0 0 439.486 2.921 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)Nc1cc(F)ccc1F ZINC000009741439 569565250 /nfs/dbraw/zinc/56/52/50/569565250.db2.gz FIKWZDUYTBYDAH-HXUWFJFHSA-N 0 0 449.479 2.666 50 0 IFAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1 ZINC000009741614 569565251 /nfs/dbraw/zinc/56/52/51/569565251.db2.gz NVAZNPRVAGTTLP-OAHLLOKOSA-N 0 0 426.585 2.890 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)Nc1ccc(F)cc1F ZINC000009741282 569565266 /nfs/dbraw/zinc/56/52/66/569565266.db2.gz SZHFIVFVUIABRR-HXUWFJFHSA-N 0 0 449.479 2.666 50 0 IFAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1 ZINC000009741618 569565327 /nfs/dbraw/zinc/56/53/27/569565327.db2.gz NVAZNPRVAGTTLP-HNNXBMFYSA-N 0 0 426.585 2.890 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nn1-c1ccccc1 ZINC000009744209 569565569 /nfs/dbraw/zinc/56/55/69/569565569.db2.gz WJPREUYIZCASGE-UHFFFAOYSA-N 0 0 438.509 2.578 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009744717 569565587 /nfs/dbraw/zinc/56/55/87/569565587.db2.gz LSRUIBHNACPOMG-FQEVSTJZSA-N 0 0 443.569 2.992 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2ccc(F)cc2)cc1 ZINC000009745018 569565592 /nfs/dbraw/zinc/56/55/92/569565592.db2.gz OKBAYTQWLXAFRE-LJQANCHMSA-N 0 0 447.532 2.822 50 0 IFAARN Cc1ccccc1NC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009744514 569565607 /nfs/dbraw/zinc/56/56/07/569565607.db2.gz YGAFFSWNMRAVSK-GOSISDBHSA-N 0 0 447.532 2.822 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009744724 569565612 /nfs/dbraw/zinc/56/56/12/569565612.db2.gz LSRUIBHNACPOMG-HXUWFJFHSA-N 0 0 443.569 2.992 50 0 IFAARN Cc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009747147 569565855 /nfs/dbraw/zinc/56/58/55/569565855.db2.gz XPWBVNAQIUBKTJ-INIZCTEOSA-N 0 0 435.571 2.745 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2ccccc2)ccc1F ZINC000009748596 569565937 /nfs/dbraw/zinc/56/59/37/569565937.db2.gz ZMXJAGJOKULREK-GOSISDBHSA-N 0 0 447.532 2.822 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2)ccc1F ZINC000009748607 569565950 /nfs/dbraw/zinc/56/59/50/569565950.db2.gz ZMXJAGJOKULREK-SFHVURJKSA-N 0 0 447.532 2.822 50 0 IFAARN CC[C@]1(C)NC(=O)N(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1=O ZINC000009750935 569566072 /nfs/dbraw/zinc/56/60/72/569566072.db2.gz VZDMPIJZMQTRLF-JTSKRJEESA-N 0 0 442.903 2.953 50 0 IFAARN CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1 ZINC000009755121 569566131 /nfs/dbraw/zinc/56/61/31/569566131.db2.gz AFTBHERLKUESTK-AWEZNQCLSA-N 0 0 432.498 2.760 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1ccccc1C ZINC000009761753 569566293 /nfs/dbraw/zinc/56/62/93/569566293.db2.gz SHIITRHUXPPHMR-UHFFFAOYSA-N 0 0 425.416 2.874 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1cccc(OC)c1 ZINC000009761799 569566321 /nfs/dbraw/zinc/56/63/21/569566321.db2.gz LARSQQKNANHMNU-UHFFFAOYSA-N 0 0 441.415 2.574 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)NCc1ccc(C)cc1 ZINC000009761912 569566381 /nfs/dbraw/zinc/56/63/81/569566381.db2.gz DAXLACRAVFIWLO-UHFFFAOYSA-N 0 0 435.480 2.721 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000009767109 569566894 /nfs/dbraw/zinc/56/68/94/569566894.db2.gz IJQMMQQOLZLRIS-CQSZACIVSA-N 0 0 435.933 2.503 50 0 IFAARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009779609 569567385 /nfs/dbraw/zinc/56/73/85/569567385.db2.gz QNGRDJYPDXVXND-UHFFFAOYSA-N 0 0 430.526 2.605 50 0 IFAARN COC(=O)c1c(C)c(C(=O)Nc2ccncc2)sc1S(=O)(=O)NCc1ccccc1 ZINC000009781967 569567678 /nfs/dbraw/zinc/56/76/78/569567678.db2.gz CSKZTRZJXWRYDR-UHFFFAOYSA-N 0 0 445.522 2.969 50 0 IFAARN O=C(N[C@@H](c1ccco1)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009782485 569567712 /nfs/dbraw/zinc/56/77/12/569567712.db2.gz DUENTHFPTNOKEI-OAQYLSRUSA-N 0 0 426.494 2.820 50 0 IFAARN CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000009791390 569568205 /nfs/dbraw/zinc/56/82/05/569568205.db2.gz HBRDXVCHXGNFBI-VLIAUNLRSA-N 0 0 433.530 2.863 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000009805763 569568843 /nfs/dbraw/zinc/56/88/43/569568843.db2.gz IYDJEGCLMGNJSK-UHFFFAOYSA-N 0 0 432.304 2.686 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000009806152 569568901 /nfs/dbraw/zinc/56/89/01/569568901.db2.gz SDKONTNGMVOVIL-LJQANCHMSA-N 0 0 429.542 2.520 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2C)c(C)c1 ZINC000009806458 569568928 /nfs/dbraw/zinc/56/89/28/569568928.db2.gz UGFPDESYPJBPEO-IBGZPJMESA-N 0 0 443.569 2.828 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000009807153 569568979 /nfs/dbraw/zinc/56/89/79/569568979.db2.gz NMDNXAPACJQBRB-FQEVSTJZSA-N 0 0 443.569 2.828 50 0 IFAARN Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000009807464 569568986 /nfs/dbraw/zinc/56/89/86/569568986.db2.gz PIKXSJFHZNOILO-IBGZPJMESA-N 0 0 443.569 2.828 50 0 IFAARN CCc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000009807341 569569008 /nfs/dbraw/zinc/56/90/08/569569008.db2.gz HVFIHJIAHRGIPK-HXUWFJFHSA-N 0 0 443.569 2.774 50 0 IFAARN CC(C)S(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cccc(S(C)(=O)=O)c3)o2)c1 ZINC000009815083 569569242 /nfs/dbraw/zinc/56/92/42/569569242.db2.gz AQKJIURKCXFHCC-UHFFFAOYSA-N 0 0 449.510 2.575 50 0 IFAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O ZINC000009816372 569569276 /nfs/dbraw/zinc/56/92/76/569569276.db2.gz IMYNIEMNBKQAGE-NRFANRHFSA-N 0 0 429.860 2.907 50 0 IFAARN COc1cccc(C(=O)NCCn2ncc3c2ncn(Cc2ccc(Cl)cc2)c3=O)c1 ZINC000009823231 569569578 /nfs/dbraw/zinc/56/95/78/569569578.db2.gz QGILQQGRUXFFMU-UHFFFAOYSA-N 0 0 437.887 2.733 50 0 IFAARN COc1ccccc1-n1c(C)c(C)n2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C ZINC000009829470 569570066 /nfs/dbraw/zinc/57/00/66/569570066.db2.gz OIJHLOUNKAFQLL-UHFFFAOYSA-N 0 0 447.470 2.951 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000009844773 569570955 /nfs/dbraw/zinc/57/09/55/569570955.db2.gz GGNHEZUDMVXAAL-UHFFFAOYSA-N 0 0 433.917 2.941 50 0 IFAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000009845851 569570965 /nfs/dbraw/zinc/57/09/65/569570965.db2.gz WUOCDGXBRGBDHD-KRWDZBQOSA-N 0 0 425.510 2.782 50 0 IFAARN Cc1ccc(C(=O)NCCc2ccccc2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1 ZINC000009860622 569571810 /nfs/dbraw/zinc/57/18/10/569571810.db2.gz MHEKEANIQYUDEJ-OALUTQOASA-N 0 0 429.567 2.648 50 0 IFAARN CNC(=O)c1ccc(N(Cc2ccccc2Cl)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009860752 569571849 /nfs/dbraw/zinc/57/18/49/569571849.db2.gz FYXHJSUZDPBLHJ-ZWKOTPCHSA-N 0 0 449.985 2.975 50 0 IFAARN COc1ccccc1CNC(=O)c1ccc(C)c(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000009860638 569571883 /nfs/dbraw/zinc/57/18/83/569571883.db2.gz KLEIIDSNQBNRJF-HKUYNNGSSA-N 0 0 445.566 2.614 50 0 IFAARN COC(=O)c1ccc(COC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 ZINC000009863993 569572120 /nfs/dbraw/zinc/57/21/20/569572120.db2.gz QJLDLEZTGCXPTK-GOSISDBHSA-N 0 0 427.478 2.934 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCN(C(=O)NCc3ccco3)CC2)ccc1Br ZINC000009866993 569572223 /nfs/dbraw/zinc/57/22/23/569572223.db2.gz YRYSKTRQYQXKGG-UHFFFAOYSA-N 0 0 442.335 2.567 50 0 IFAARN O=S(=O)(NCCCn1ccc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009867620 569572296 /nfs/dbraw/zinc/57/22/96/569572296.db2.gz JZZPNAVITFEQAO-UHFFFAOYSA-N 0 0 447.582 2.794 50 0 IFAARN O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009868226 569572323 /nfs/dbraw/zinc/57/23/23/569572323.db2.gz AEAWUFXVXGKZPV-MRXNPFEDSA-N 0 0 438.513 2.835 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)n1 ZINC000009874804 569572566 /nfs/dbraw/zinc/57/25/66/569572566.db2.gz HYLWIWHLAMGLJH-OAQYLSRUSA-N 0 0 435.513 2.851 50 0 IFAARN CC(C)(C)NC(=O)CNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000009918228 569573512 /nfs/dbraw/zinc/57/35/12/569573512.db2.gz ZVGAECLVEKDQGG-UHFFFAOYSA-N 0 0 441.912 2.924 50 0 IFAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c(OC)c1OC ZINC000071279363 569573529 /nfs/dbraw/zinc/57/35/29/569573529.db2.gz XMZWSMXFORVFRV-OCCSQVGLSA-N 0 0 435.502 2.701 50 0 IFAARN CC(C)Nc1nnc(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000009921409 569573536 /nfs/dbraw/zinc/57/35/36/569573536.db2.gz KNRJCMMTCAFOMF-CQSZACIVSA-N 0 0 426.589 2.671 50 0 IFAARN COc1ccccc1CNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O ZINC000009936263 569573784 /nfs/dbraw/zinc/57/37/84/569573784.db2.gz XYVXRPMJUKULQR-UHFFFAOYSA-N 0 0 446.301 2.558 50 0 IFAARN COc1ccc(CCNC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)cc1OC ZINC000009937166 569573820 /nfs/dbraw/zinc/57/38/20/569573820.db2.gz FIMCHEOABJOHOE-UHFFFAOYSA-N 0 0 445.475 2.669 50 0 IFAARN CCn1cc(C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)c(=O)c2ccc(C)nc21 ZINC000009940149 569573934 /nfs/dbraw/zinc/57/39/34/569573934.db2.gz PHRRMLSLQMBIJN-UHFFFAOYSA-N 0 0 425.441 2.538 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccccc2NC(=O)c2ccccc2)NC(=O)N[C@@H]1C ZINC000009948935 569574220 /nfs/dbraw/zinc/57/42/20/569574220.db2.gz IUMDENTUTNWYKO-CQSZACIVSA-N 0 0 437.452 2.614 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2N)cc1 ZINC000009959114 569575109 /nfs/dbraw/zinc/57/51/09/569575109.db2.gz HYTVYEXJKXOUJI-LBPRGKRZSA-N 0 0 439.921 2.793 50 0 IFAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(OC)cc(OC)c3)c2C)cc1 ZINC000071327270 569575231 /nfs/dbraw/zinc/57/52/31/569575231.db2.gz CXYOLXAUSJMICV-UHFFFAOYSA-N 0 0 439.472 2.893 50 0 IFAARN O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000009960272 569575407 /nfs/dbraw/zinc/57/54/07/569575407.db2.gz FPHRTEQWKDUXRD-UHFFFAOYSA-N 0 0 440.525 2.600 50 0 IFAARN Cc1ccccc1NC(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O ZINC000071328341 569575530 /nfs/dbraw/zinc/57/55/30/569575530.db2.gz FCLLYCFPIXEMAC-UHFFFAOYSA-N 0 0 433.424 2.739 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 ZINC000071333498 569575681 /nfs/dbraw/zinc/57/56/81/569575681.db2.gz AEPFGJLCYYNHBG-MRXNPFEDSA-N 0 0 434.468 2.966 50 0 IFAARN CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 ZINC000009962366 569575693 /nfs/dbraw/zinc/57/56/93/569575693.db2.gz HDMBQXYIQLKLKW-CQSZACIVSA-N 0 0 447.513 2.516 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O ZINC000071334352 569575715 /nfs/dbraw/zinc/57/57/15/569575715.db2.gz JOPXRIOXPOCWPL-HSZRJFAPSA-N 0 0 441.487 2.964 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000009985011 569576676 /nfs/dbraw/zinc/57/66/76/569576676.db2.gz YXCQSDGBYHLQFL-HXUWFJFHSA-N 0 0 428.510 2.890 50 0 IFAARN C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)N1C(=O)c2ccccc2C1=O ZINC000009987400 569576758 /nfs/dbraw/zinc/57/67/58/569576758.db2.gz OITRPYVIYPIXPL-LLVKDONJSA-N 0 0 429.358 2.909 50 0 IFAARN C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)N1C(=O)c2ccccc2C1=O ZINC000009987395 569576776 /nfs/dbraw/zinc/57/67/76/569576776.db2.gz OITRPYVIYPIXPL-NSHDSACASA-N 0 0 429.358 2.909 50 0 IFAARN O=C(COc1ccccc1-c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000009993647 569576917 /nfs/dbraw/zinc/57/69/17/569576917.db2.gz NXPAWZSHJSIIPA-VQTJNVASSA-N 0 0 429.538 2.927 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000010022924 569577272 /nfs/dbraw/zinc/57/72/72/569577272.db2.gz TWEPDOUGUAVDIC-NWDGAFQWSA-N 0 0 436.559 2.532 50 0 IFAARN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCC(=O)NC1CC1 ZINC000010087599 569577727 /nfs/dbraw/zinc/57/77/27/569577727.db2.gz PQXXYOWABZAYFN-LBPRGKRZSA-N 0 0 442.566 2.668 50 0 IFAARN Cc1c(C)n(-c2cc(C)ccc2C)c2nc3c(c(=O)n(CC(=O)C(C)(C)C)c(=O)n3C)n12 ZINC000010101619 569577798 /nfs/dbraw/zinc/57/77/98/569577798.db2.gz PVUVVZRSWYIQIU-UHFFFAOYSA-N 0 0 435.528 2.987 50 0 IFAARN O=C(NCCCOCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000010103507 569577831 /nfs/dbraw/zinc/57/78/31/569577831.db2.gz LEHBPTPIZNICTP-IBGZPJMESA-N 0 0 434.533 2.950 50 0 IFAARN Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)s1 ZINC000010143607 569578127 /nfs/dbraw/zinc/57/81/27/569578127.db2.gz BPUNQWNWMGWGAC-LBPRGKRZSA-N 0 0 425.532 2.631 50 0 IFAARN COc1ccc(N2C(=O)C[C@H](N(C)CC(=O)Nc3ccccc3Cl)C2=O)cc1OC ZINC000010168041 569578295 /nfs/dbraw/zinc/57/82/95/569578295.db2.gz OBBURKUEYQHGSH-INIZCTEOSA-N 0 0 431.876 2.560 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)C[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000010186418 569578393 /nfs/dbraw/zinc/57/83/93/569578393.db2.gz QCCBQSQHRDBZPI-INIZCTEOSA-N 0 0 436.892 2.980 50 0 IFAARN COc1cccc(CNC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCC3)c1 ZINC000010186686 569578430 /nfs/dbraw/zinc/57/84/30/569578430.db2.gz SEWKCGJMSISCRL-UHFFFAOYSA-N 0 0 436.537 2.592 50 0 IFAARN COc1ccccc1CNC(=O)CSc1nc(=O)n(Cc2ccco2)c2c1CCC2 ZINC000010186684 569578446 /nfs/dbraw/zinc/57/84/46/569578446.db2.gz BOJSCLBZQZAEBY-UHFFFAOYSA-N 0 0 425.510 2.790 50 0 IFAARN O=C(Nc1nnc(-c2ccco2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187233 569578584 /nfs/dbraw/zinc/57/85/84/569578584.db2.gz GRKARWRIGLAKIL-SECBINFHSA-N 0 0 428.879 2.836 50 0 IFAARN Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(S(C)(=O)=O)cc4)CC3)sc2c1 ZINC000010252848 569579924 /nfs/dbraw/zinc/57/99/24/569579924.db2.gz UQYJRWGSUCGITH-UHFFFAOYSA-N 0 0 429.567 2.900 50 0 IFAARN COCCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccccc2F)n(C)c1=O ZINC000010271938 569580104 /nfs/dbraw/zinc/58/01/04/569580104.db2.gz QGVJSYVYEHBOCV-UHFFFAOYSA-N 0 0 433.443 2.591 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000010273612 569580273 /nfs/dbraw/zinc/58/02/73/569580273.db2.gz VGTBVNWFLYLDPB-SFHVURJKSA-N 0 0 434.901 2.903 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2cccs2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000010273543 569580280 /nfs/dbraw/zinc/58/02/80/569580280.db2.gz WPFLVLNRRZJJFR-OAHLLOKOSA-N 0 0 426.903 2.656 50 0 IFAARN C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc(Cl)c1 ZINC000010277056 569580433 /nfs/dbraw/zinc/58/04/33/569580433.db2.gz SECZDJBYJSUBRF-ZDUSSCGKSA-N 0 0 443.978 2.983 50 0 IFAARN NC(=O)N[C@@H](CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccs1 ZINC000010321434 569580984 /nfs/dbraw/zinc/58/09/84/569580984.db2.gz JLDHJDACRRGIBJ-AWEZNQCLSA-N 0 0 431.543 2.933 50 0 IFAARN COc1cc(-c2nnn(Cc3cc4c(cc3Br)OCO4)n2)cc(OC)c1OC ZINC000010336430 569581106 /nfs/dbraw/zinc/58/11/06/569581106.db2.gz URNQDAATAXIFDN-UHFFFAOYSA-N 0 0 449.261 2.905 50 0 IFAARN CS(=O)(=O)c1cccc2sc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nc21 ZINC000010337264 569581222 /nfs/dbraw/zinc/58/12/22/569581222.db2.gz NOOIHXZDTIIZOJ-UHFFFAOYSA-N 0 0 437.493 2.940 50 0 IFAARN NC(=O)c1oc2ccccc2c1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000010337439 569581245 /nfs/dbraw/zinc/58/12/45/569581245.db2.gz MBCIIPIDNFVSMF-UHFFFAOYSA-N 0 0 445.472 2.710 50 0 IFAARN COc1ccc(C(=O)N(CCN(C)C)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000010337342 569581256 /nfs/dbraw/zinc/58/12/56/569581256.db2.gz FFBZEQBOQRDICD-UHFFFAOYSA-N 0 0 433.555 2.917 50 0 IFAARN COC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000010337677 569581391 /nfs/dbraw/zinc/58/13/91/569581391.db2.gz LVSBRFPOPSOGPH-UHFFFAOYSA-N 0 0 438.527 2.583 50 0 IFAARN Cc1ccccc1-n1c(SC[C@@H](O)COc2ccccc2)nnc1N1CCOCC1 ZINC000010350263 569581415 /nfs/dbraw/zinc/58/14/15/569581415.db2.gz AJUZLDXFJQURIN-SFHVURJKSA-N 0 0 426.542 2.944 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(N(C)C)cc2)NC(=O)N[C@H]1c1cccs1 ZINC000010390741 569581793 /nfs/dbraw/zinc/58/17/93/569581793.db2.gz YETQFLGNODXIFN-SFHVURJKSA-N 0 0 429.498 2.842 50 0 IFAARN COc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(F)F ZINC000010440959 569582171 /nfs/dbraw/zinc/58/21/71/569582171.db2.gz GNVFGXNGVFFJGQ-UHFFFAOYSA-N 0 0 448.875 2.887 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000010453132 569582327 /nfs/dbraw/zinc/58/23/27/569582327.db2.gz CWYPFKCYUHUDIZ-VIFPVBQESA-N 0 0 447.296 2.833 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)Cn3c(C)cc4ccccc43)CC2)cc1 ZINC000010504887 569582583 /nfs/dbraw/zinc/58/25/83/569582583.db2.gz IBQZZRCUJVVKPL-UHFFFAOYSA-N 0 0 441.553 2.928 50 0 IFAARN CC(=O)Nc1nc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2s1 ZINC000013722511 569582951 /nfs/dbraw/zinc/58/29/51/569582951.db2.gz GTGRUQGXFBTXBO-UHFFFAOYSA-N 0 0 438.509 2.941 50 0 IFAARN COC(=O)c1nc(NC(=O)COc2c[nH]c(C)cc2=O)sc1-c1ccccc1Cl ZINC000095480507 569583677 /nfs/dbraw/zinc/58/36/77/569583677.db2.gz QHZWDRFBNAIEJW-UHFFFAOYSA-N 0 0 433.873 3.264 50 0 IFAARN COC(=O)c1nc(NC(=O)CCN2C(=O)CC3(CCCC3)C2=O)sc1-c1ccccc1 ZINC000079480244 569583704 /nfs/dbraw/zinc/58/37/04/569583704.db2.gz OVZAZDBYECPGSH-UHFFFAOYSA-N 0 0 441.509 3.245 50 0 IFAARN COC(=O)c1nc(NC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)sc1CC(C)C ZINC000079501541 569583755 /nfs/dbraw/zinc/58/37/55/569583755.db2.gz NUNZKZYMWLVNBB-OAHLLOKOSA-N 0 0 431.562 3.390 50 0 IFAARN COC(=O)c1nc(NC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)sc1C(C)C ZINC000072401467 569583764 /nfs/dbraw/zinc/58/37/64/569583764.db2.gz GNLRBHFYHAEUHP-UHFFFAOYSA-N 0 0 428.514 3.525 50 0 IFAARN CCOC(=O)c1sc(NC(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)nc1C ZINC000072403332 569584361 /nfs/dbraw/zinc/58/43/61/569584361.db2.gz TYHQHRSQGIRGLL-UHFFFAOYSA-N 0 0 441.509 3.316 50 0 IFAARN CCOCCCNc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccsc21 ZINC000585148670 569584409 /nfs/dbraw/zinc/58/44/09/569584409.db2.gz WFUMSQPMDWEAAB-UHFFFAOYSA-N 0 0 431.543 3.319 50 0 IFAARN COc1ccc(-n2nnc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000077100319 569585344 /nfs/dbraw/zinc/58/53/44/569585344.db2.gz ONESJQJIWCEKAA-UHFFFAOYSA-N 0 0 432.406 2.652 50 0 IFAARN CCOc1ccccc1N1CCN(c2nc3nc(=O)n(C4CCCC4)c(=O)c-3c[nH]2)CC1 ZINC000077100723 569585444 /nfs/dbraw/zinc/58/54/44/569585444.db2.gz YUCQUIJKPRIMNG-UHFFFAOYSA-N 0 0 436.516 2.733 50 0 IFAARN O=C(NC[C@@H](O)c1ccoc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000077101351 569585605 /nfs/dbraw/zinc/58/56/05/569585605.db2.gz OOWLLHFAVVFDPH-GOSISDBHSA-N 0 0 439.493 2.722 50 0 IFAARN Cn1nc(C2CCN(C(=O)c3ccc(Br)o3)CC2)n(-c2ccccc2)c1=O ZINC000077146489 569585659 /nfs/dbraw/zinc/58/56/59/569585659.db2.gz BCPSDECQNROPSJ-UHFFFAOYSA-N 0 0 431.290 2.946 50 0 IFAARN COc1ccc(CCNC(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1 ZINC000077146614 569585682 /nfs/dbraw/zinc/58/56/82/569585682.db2.gz NAQVNIGPUXNPTQ-UHFFFAOYSA-N 0 0 435.528 2.711 50 0 IFAARN Cc1ccc2nc(NC(=O)CN3CCC(c4nn(C)c(=O)n4C4CC4)CC3)sc2c1 ZINC000077154405 569585749 /nfs/dbraw/zinc/58/57/49/569585749.db2.gz PGHSYLUVSVNHMK-UHFFFAOYSA-N 0 0 426.546 2.653 50 0 IFAARN Cc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)c2c(F)cccc2F)CC3)no1 ZINC000077196497 569586121 /nfs/dbraw/zinc/58/61/21/569586121.db2.gz NFTJSQJYOXZOLE-UHFFFAOYSA-N 0 0 440.453 2.717 50 0 IFAARN Cc1nccn1-c1ccc(=O)n(CCNC(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000077197004 569586162 /nfs/dbraw/zinc/58/61/62/569586162.db2.gz HHUWVLFCFWWPMP-UHFFFAOYSA-N 0 0 427.464 2.791 50 0 IFAARN Cn1nc(-c2cccs2)cc1C(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O ZINC000077198008 569586280 /nfs/dbraw/zinc/58/62/80/569586280.db2.gz NGKVFTJQPJTXAH-UHFFFAOYSA-N 0 0 434.525 2.803 50 0 IFAARN COC(=O)C1CCN(C(=O)[C@H]2c3cc(Br)ccc3CCN2C(=O)OC)CC1 ZINC000077200066 569586318 /nfs/dbraw/zinc/58/63/18/569586318.db2.gz AYUVOZXUEHERLI-MRXNPFEDSA-N 0 0 439.306 2.526 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)NCC(=O)N[C@@H]3CCCc4ccccc43)c(C)s2)no1 ZINC000033263958 569587415 /nfs/dbraw/zinc/58/74/15/569587415.db2.gz LCYQGXSDFQJGAS-MRXNPFEDSA-N 0 0 446.554 2.887 50 0 IFAARN O=C(Nc1ccccc1F)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000000645223 193869455 /nfs/dbraw/zinc/86/94/55/193869455.db2.gz NICCTWSYLINUJU-UHFFFAOYSA-N 0 0 443.294 2.861 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c1 ZINC000006125858 193879637 /nfs/dbraw/zinc/87/96/37/193879637.db2.gz TWXZVJQWVIVKGY-UHFFFAOYSA-N 0 0 427.482 2.933 50 0 IFAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)NCc1ccccc1 ZINC000006131917 193880103 /nfs/dbraw/zinc/88/01/03/193880103.db2.gz YRGHQWLDZBOEAT-UHFFFAOYSA-N 0 0 432.571 2.892 50 0 IFAARN CCOc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(CCCO)nn32)cc1 ZINC000006144557 193883374 /nfs/dbraw/zinc/88/33/74/193883374.db2.gz SBZJBPXFHMSRBZ-OAQYLSRUSA-N 0 0 434.500 2.924 50 0 IFAARN CCC(C)(C)NC(=O)Cn1c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2oc1=O ZINC000009830822 193897969 /nfs/dbraw/zinc/89/79/69/193897969.db2.gz MZVMMGDCSUTTRB-HUUCEWRRSA-N 0 0 437.562 2.566 50 0 IFAARN CCc1nn(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(=O)c2cc3sccc3n21 ZINC000009848558 193906644 /nfs/dbraw/zinc/90/66/44/193906644.db2.gz XQGLBZXCDVTJRF-CYBMUJFWSA-N 0 0 438.509 2.922 50 0 IFAARN COc1ccc(NC(=O)c2cccc(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)c(OC)c1 ZINC000009860288 193910552 /nfs/dbraw/zinc/91/05/52/193910552.db2.gz VKCGUNGZMOQCOU-WMZOPIPTSA-N 0 0 447.538 2.636 50 0 IFAARN COc1cc(/C=C\C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)ccc1OC(F)F ZINC000050826905 193922261 /nfs/dbraw/zinc/92/22/61/193922261.db2.gz FEQARTSUTNWPHV-CLTKARDFSA-N 0 0 433.367 2.661 50 0 IFAARN O=C(Cn1c2ccccc2c(=O)n(Cc2ccc(F)cc2)c1=O)N1CCc2ccccc21 ZINC000051357878 193926082 /nfs/dbraw/zinc/92/60/82/193926082.db2.gz FBMSJMACYQHLMS-UHFFFAOYSA-N 0 0 429.451 2.940 50 0 IFAARN O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000000591665 132227521 /nfs/dbraw/zinc/22/75/21/132227521.db2.gz KTXKZCCZSRAHIW-UHFFFAOYSA-N 0 0 447.516 2.998 50 0 aggregator IFAARN O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000000665908 132229006 /nfs/dbraw/zinc/22/90/06/132229006.db2.gz BDBNCOGPHRTQIT-UHFFFAOYSA-N 0 0 446.331 2.760 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ccccn2)CC1 ZINC000000702414 132229426 /nfs/dbraw/zinc/22/94/26/132229426.db2.gz NQGKKLQRLINZAC-UHFFFAOYSA-N 0 0 428.558 2.609 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@@H](C)Sc2nc(Cl)nc3[nH]cnc32)CC1 ZINC000009421605 132234293 /nfs/dbraw/zinc/23/42/93/132234293.db2.gz ZMUQLAQEEUTQDA-GFCCVEGCSA-N 0 0 432.937 2.844 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1c(F)cccc1F ZINC000009569823 132234873 /nfs/dbraw/zinc/23/48/73/132234873.db2.gz BNKYENITPPVWSQ-UHFFFAOYSA-N 0 0 443.903 2.500 50 0 IFAARN O=C(CCc1ccccc1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009569838 132235115 /nfs/dbraw/zinc/23/51/15/132235115.db2.gz UFLNLOPBRAIFFY-UHFFFAOYSA-N 0 0 435.977 2.541 50 0 IFAARN CCSc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000009570262 132235832 /nfs/dbraw/zinc/23/58/32/132235832.db2.gz NTZDNHVOODNQGL-UHFFFAOYSA-N 0 0 433.599 2.680 50 0 IFAARN O=S(=O)(c1ccc(I)cc1)N1CCN(c2ccccc2F)CC1 ZINC000000944448 132236005 /nfs/dbraw/zinc/23/60/05/132236005.db2.gz PMUYNNFWWXDNQF-UHFFFAOYSA-N 0 0 446.285 2.941 50 0 IFAARN CCCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000009707431 132236945 /nfs/dbraw/zinc/23/69/45/132236945.db2.gz HGKBQGCEVIRBFW-UHFFFAOYSA-N 0 0 426.542 2.569 50 0 IFAARN O=C(CN1C(=O)COc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009740572 132240443 /nfs/dbraw/zinc/24/04/43/132240443.db2.gz VGFVXDMNVHDKEE-UHFFFAOYSA-N 0 0 443.525 2.615 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000009851286 132242070 /nfs/dbraw/zinc/24/20/70/132242070.db2.gz HRCZIEROPVUGIC-UHFFFAOYSA-N 0 0 443.511 2.880 50 0 IFAARN COc1ccc(C)cc1N1CCCn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C ZINC000010102343 132242788 /nfs/dbraw/zinc/24/27/88/132242788.db2.gz URXGJABWOJLKIZ-UHFFFAOYSA-N 0 0 431.496 2.804 50 0 IFAARN Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCOCC4)CC3)c3ccccc32)cc1 ZINC000002367889 132253097 /nfs/dbraw/zinc/25/30/97/132253097.db2.gz GFXRQOSEFPFPOX-UHFFFAOYSA-N 0 0 431.540 2.586 50 0 IFAARN Cn1nc(C(=O)Nc2ccc(N3CCOCC3)c3nonc32)c(Cl)c1C(F)(F)F ZINC000002780779 132257074 /nfs/dbraw/zinc/25/70/74/132257074.db2.gz VDRAKFUGKNVJTR-UHFFFAOYSA-N 0 0 430.774 2.717 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 ZINC000002877317 132257995 /nfs/dbraw/zinc/25/79/95/132257995.db2.gz DWFKGEDOENKRAV-LJQANCHMSA-N 0 0 445.585 2.815 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 ZINC000002884602 132258161 /nfs/dbraw/zinc/25/81/61/132258161.db2.gz DFCMRXVWXRVQSV-LJQANCHMSA-N 0 0 445.585 2.815 50 0 IFAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000003350340 132264458 /nfs/dbraw/zinc/26/44/58/132264458.db2.gz SOYZRWHZUXNYIV-UHFFFAOYSA-N 0 0 425.485 2.836 50 0 IFAARN O=C(Nc1ccccc1N1CCOCC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000003428254 132265430 /nfs/dbraw/zinc/26/54/30/132265430.db2.gz YCCYILKGZCAPLZ-OAQYLSRUSA-N 0 0 429.542 2.705 50 0 IFAARN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000004057931 132269252 /nfs/dbraw/zinc/26/92/52/132269252.db2.gz LCGZFQTWAUXXMJ-HXUWFJFHSA-N 0 0 445.560 2.791 50 0 IFAARN COc1cc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cn(C)c(=O)c2cc1OC ZINC000004762563 132273668 /nfs/dbraw/zinc/27/36/68/132273668.db2.gz CJSPZWSFXNDVJU-UHFFFAOYSA-N 0 0 425.460 2.657 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCc4ccccc43)s2)cc1 ZINC000008588096 132282979 /nfs/dbraw/zinc/28/29/79/132282979.db2.gz YPMRUCJTVHPZCN-UHFFFAOYSA-N 0 0 430.511 2.941 50 0 IFAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CCOCC4)nc23)cc1C ZINC000008589300 132283406 /nfs/dbraw/zinc/28/34/06/132283406.db2.gz OIHHDPHZIFJTHC-UHFFFAOYSA-N 0 0 429.527 2.625 50 0 IFAARN O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000008608788 132287813 /nfs/dbraw/zinc/28/78/13/132287813.db2.gz ZORFCXWDKQZPKE-UHFFFAOYSA-N 0 0 428.963 2.791 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)Cn3cnc4nc5c(cc4c3=O)CCCC5)CC2)c1 ZINC000008610473 132288242 /nfs/dbraw/zinc/28/82/42/132288242.db2.gz FLISAJCYGGPWSR-UHFFFAOYSA-N 0 0 431.540 2.636 50 0 IFAARN Cc1ccccc1CN1c2ccccc2-c2nc(SCC(N)=O)ncc2S1(=O)=O ZINC000008673236 132289898 /nfs/dbraw/zinc/28/98/98/132289898.db2.gz LZIGIDZQXNUZIC-UHFFFAOYSA-N 0 0 426.523 2.738 50 0 IFAARN NC(=O)[C@@H]1CN(CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c2ccccc2O1 ZINC000008723690 132291999 /nfs/dbraw/zinc/29/19/99/132291999.db2.gz KMSMQGDXTUHNOG-RXVVDRJESA-N 0 0 425.485 2.846 50 0 IFAARN O=C(/C=C/c1ccc2ccccc2n1)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000008723590 132292046 /nfs/dbraw/zinc/29/20/46/132292046.db2.gz RYMMAWZTOINYRL-RGPPVUSESA-N 0 0 429.476 2.901 50 0 IFAARN O=C(Cn1ncc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000008725927 132292295 /nfs/dbraw/zinc/29/22/95/132292295.db2.gz DBELYQDGXFKTPS-UHFFFAOYSA-N 0 0 432.402 2.891 50 0 IFAARN O=C(Nc1ccccc1F)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000008734874 132292299 /nfs/dbraw/zinc/29/22/99/132292299.db2.gz ISCXWTPABNBLLS-UHFFFAOYSA-N 0 0 432.477 2.991 50 0 IFAARN NC(=O)[C@@H]1CN(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c2ccccc2O1 ZINC000008726005 132292306 /nfs/dbraw/zinc/29/23/06/132292306.db2.gz CDZLUANRXLYERW-IBGZPJMESA-N 0 0 436.537 2.755 50 0 IFAARN CC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccc(F)cc4)CC3)=N2)cc1 ZINC000008758253 132293262 /nfs/dbraw/zinc/29/32/62/132293262.db2.gz YWCLTHXCJLXWJU-OAQYLSRUSA-N 0 0 437.519 2.954 50 0 IFAARN CC[C@H](C(=O)N1CCN(c2cccc(OC)c2)CC1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000008965044 132298681 /nfs/dbraw/zinc/29/86/81/132298681.db2.gz PQZNXTQAIIXNMZ-LJQANCHMSA-N 0 0 449.511 2.859 50 0 IFAARN O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1 ZINC000008971179 132299201 /nfs/dbraw/zinc/29/92/01/132299201.db2.gz BPEZFHQODUPVMF-UHFFFAOYSA-N 0 0 446.551 2.845 50 0 IFAARN CC(=O)Nc1ccc2c(c1)C[C@@]1(C(=O)NC(=O)N(C(C)(C)C)C1=O)[C@@H]1CCCCCN21 ZINC000008971346 132299226 /nfs/dbraw/zinc/29/92/26/132299226.db2.gz LYSINHHYCTYTIN-MBSDFSHPSA-N 0 0 426.517 2.813 50 0 IFAARN O=C(NCc1noc(-c2ccccc2)n1)[C@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000008992250 132299773 /nfs/dbraw/zinc/29/97/73/132299773.db2.gz SKTJXOVKIFUGNT-ZDUSSCGKSA-N 0 0 438.879 2.589 50 0 IFAARN COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)c1 ZINC000009110827 132303189 /nfs/dbraw/zinc/30/31/89/132303189.db2.gz LXLZIKUAOXOSFA-UHFFFAOYSA-N 0 0 431.496 2.804 50 0 IFAARN Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)cc1C ZINC000009119121 132304622 /nfs/dbraw/zinc/30/46/22/132304622.db2.gz QAKNZCXPSPHWKI-UHFFFAOYSA-N 0 0 443.544 2.879 50 0 IFAARN CC(C)[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 ZINC000009126481 132305388 /nfs/dbraw/zinc/30/53/88/132305388.db2.gz ZAJWCOHTJBBSBF-HSZRJFAPSA-N 0 0 431.540 2.662 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000009209312 132308788 /nfs/dbraw/zinc/30/87/88/132308788.db2.gz YPYVWQDWNBAZBW-UHFFFAOYSA-N 0 0 435.933 2.870 50 0 IFAARN Cc1cccc(N2CCN(C(=O)Cn3ncn4nc(-c5cccs5)cc4c3=O)C[C@@H]2C)c1 ZINC000009251953 132311055 /nfs/dbraw/zinc/31/10/55/132311055.db2.gz LPOMVENQBDAPGK-KRWDZBQOSA-N 0 0 448.552 2.665 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)N1CCN(c2ccccc2F)CC1 ZINC000009321063 132313693 /nfs/dbraw/zinc/31/36/93/132313693.db2.gz JOKJIZZYPYLCFC-UHFFFAOYSA-N 0 0 431.471 2.651 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009321066 132313741 /nfs/dbraw/zinc/31/37/41/132313741.db2.gz FLIROKLGRMXHDS-UHFFFAOYSA-N 0 0 431.471 2.651 50 0 IFAARN CCOc1ccc(CCNS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)cc1OCC ZINC000009405479 132314965 /nfs/dbraw/zinc/31/49/65/132314965.db2.gz SURVITHWGBNELR-UHFFFAOYSA-N 0 0 448.541 2.750 50 0 IFAARN O=C([C@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009421613 132316554 /nfs/dbraw/zinc/31/65/54/132316554.db2.gz WFMRHKBETAPRNR-AWEZNQCLSA-N 0 0 443.914 2.711 50 0 IFAARN Cc1cccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc32)c1 ZINC000009430358 132317081 /nfs/dbraw/zinc/31/70/81/132317081.db2.gz KRPDWNOSYYGMMP-UHFFFAOYSA-N 0 0 443.525 2.534 50 0 IFAARN Cc1cccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCC4)cc32)c1 ZINC000009430575 132317170 /nfs/dbraw/zinc/31/71/70/132317170.db2.gz YKFYFNUHYIZJBN-UHFFFAOYSA-N 0 0 445.566 2.857 50 0 IFAARN Cc1cccc(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)c1 ZINC000009435529 132317555 /nfs/dbraw/zinc/31/75/55/132317555.db2.gz KEGMQRGCIBMBFE-UHFFFAOYSA-N 0 0 429.517 2.571 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)c1 ZINC000009435439 132317568 /nfs/dbraw/zinc/31/75/68/132317568.db2.gz DJNZDBXQQASDSU-UHFFFAOYSA-N 0 0 443.544 2.879 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000009463076 132318186 /nfs/dbraw/zinc/31/81/86/132318186.db2.gz SUKALRYKZSWVPQ-UHFFFAOYSA-N 0 0 442.475 2.967 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000009469164 132318633 /nfs/dbraw/zinc/31/86/33/132318633.db2.gz PJHMLKFEYBISLL-UHFFFAOYSA-N 0 0 443.569 2.715 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c2ccccc2O1 ZINC000009503470 132319698 /nfs/dbraw/zinc/31/96/98/132319698.db2.gz HEJCEFINWHMBTC-HNNXBMFYSA-N 0 0 449.488 2.854 50 0 IFAARN O=C1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N1Cc1ccc(Cl)cc1 ZINC000009528068 132320420 /nfs/dbraw/zinc/32/04/20/132320420.db2.gz GLBGTGLHJORJQA-UHFFFAOYSA-N 0 0 438.958 3.000 50 0 IFAARN O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000009612403 132323560 /nfs/dbraw/zinc/32/35/60/132323560.db2.gz RSRYETPJWJGTIN-OAHLLOKOSA-N 0 0 446.550 2.526 50 0 IFAARN Cc1cc2nc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)c3ccccc3n2n1 ZINC000009634802 132324127 /nfs/dbraw/zinc/32/41/27/132324127.db2.gz CHLIIUHSMOQHJG-UHFFFAOYSA-N 0 0 425.489 2.841 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1C(=O)N1CCCCC1 ZINC000009684560 132325844 /nfs/dbraw/zinc/32/58/44/132325844.db2.gz XTCNQRQMMIYLAY-UHFFFAOYSA-N 0 0 448.564 2.908 50 0 IFAARN c1cc(Nc2nc(Nc3ccc4c(c3)OCO4)nc(N3CCOCC3)n2)cc2c1OCO2 ZINC000009708849 132326891 /nfs/dbraw/zinc/32/68/91/132326891.db2.gz QFVLFZRCNPILAI-UHFFFAOYSA-N 0 0 436.428 2.653 50 0 IFAARN CC(=O)N(c1nc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)cs1)c1ccccc1 ZINC000009714348 132327134 /nfs/dbraw/zinc/32/71/34/132327134.db2.gz ORZNKGXDAZHEHE-CMDGGOBGSA-N 0 0 434.525 2.980 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000009728307 132327779 /nfs/dbraw/zinc/32/77/79/132327779.db2.gz NZOMWKMMVJYBNV-UHFFFAOYSA-N 0 0 438.488 2.549 50 0 IFAARN CN(C)[C@H](CNC(=O)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1)c1ccco1 ZINC000009767934 132328628 /nfs/dbraw/zinc/32/86/28/132328628.db2.gz XURFDUIKGGOEQY-CYBMUJFWSA-N 0 0 426.370 2.738 50 0 IFAARN CCOc1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000009793462 132329206 /nfs/dbraw/zinc/32/92/06/132329206.db2.gz JNGFCQZIHWSMBH-UHFFFAOYSA-N 0 0 441.528 2.776 50 0 IFAARN C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000009862242 132330327 /nfs/dbraw/zinc/33/03/27/132330327.db2.gz FAXHXMLIHPNYDF-RDJZCZTQSA-N 0 0 433.603 2.958 50 0 IFAARN CNC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)c2ccccc2O1 ZINC000009869929 132330633 /nfs/dbraw/zinc/33/06/33/132330633.db2.gz FYBKFWOJTSLKMF-VGOFRKELSA-N 0 0 429.476 2.733 50 0 IFAARN O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009962871 132333002 /nfs/dbraw/zinc/33/30/02/132333002.db2.gz PRRJKZJRJHHREM-UHFFFAOYSA-N 0 0 443.500 2.860 50 0 IFAARN O=C(c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)N1CCN(c2ncccn2)CC1 ZINC000009963789 132333069 /nfs/dbraw/zinc/33/30/69/132333069.db2.gz VMXVSDXHBXNXKO-WOJGMQOQSA-N 0 0 449.536 2.852 50 0 IFAARN O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)N1CCN(c2ccccc2)CC1 ZINC000010267901 132335280 /nfs/dbraw/zinc/33/52/80/132335280.db2.gz LWIWRAASYWYGMJ-QHCPKHFHSA-N 0 0 437.521 2.507 50 0 IFAARN O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000010718619 132336365 /nfs/dbraw/zinc/33/63/65/132336365.db2.gz NPEHRSNPFUZKTO-LJQANCHMSA-N 0 0 442.947 2.740 50 0 IFAARN COC(=O)c1cccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 ZINC000011214766 132337486 /nfs/dbraw/zinc/33/74/86/132337486.db2.gz RZLXWPWALYTLCB-UHFFFAOYSA-N 0 0 448.405 2.785 50 0 IFAARN Cc1nnc2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)CC3)nn12 ZINC000011696269 132338885 /nfs/dbraw/zinc/33/88/85/132338885.db2.gz ONHTVYXMCHQKFD-UHFFFAOYSA-N 0 0 434.525 2.611 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1 ZINC000011697189 132338983 /nfs/dbraw/zinc/33/89/83/132338983.db2.gz ARCZXHMIPGAMHZ-UHFFFAOYSA-N 0 0 434.500 2.903 50 0 IFAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 ZINC000011697579 132339127 /nfs/dbraw/zinc/33/91/27/132339127.db2.gz DFEZFKMFJRWQBU-UHFFFAOYSA-N 0 0 430.921 2.780 50 0 IFAARN O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCc2ccccc2C1 ZINC000011763154 132339352 /nfs/dbraw/zinc/33/93/52/132339352.db2.gz KLOBSFMZELRLKO-UHFFFAOYSA-N 0 0 430.434 2.944 50 0 IFAARN CCC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)C2 ZINC000011783948 132339543 /nfs/dbraw/zinc/33/95/43/132339543.db2.gz GIARCMMLYMMLEF-ZDUSSCGKSA-N 0 0 430.505 2.725 50 0 IFAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1C(=O)COc2ccccc21 ZINC000012975719 132341116 /nfs/dbraw/zinc/34/11/16/132341116.db2.gz MRMAAZSVQYEHRJ-UHFFFAOYSA-N 0 0 435.402 2.918 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1C(=O)COc2ccccc21 ZINC000012993347 132341506 /nfs/dbraw/zinc/34/15/06/132341506.db2.gz RZDBSKAPLOZLOV-UHFFFAOYSA-N 0 0 446.301 2.580 50 0 IFAARN Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)nn2)n1 ZINC000013009349 132342341 /nfs/dbraw/zinc/34/23/41/132342341.db2.gz BJVRNRGPKLSFJI-UHFFFAOYSA-N 0 0 440.573 2.779 50 0 IFAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000013036763 132342692 /nfs/dbraw/zinc/34/26/92/132342692.db2.gz DHPLIWLONJGWDC-UHFFFAOYSA-N 0 0 449.902 2.835 50 0 IFAARN COc1ccc(CCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 ZINC000013036836 132342694 /nfs/dbraw/zinc/34/26/94/132342694.db2.gz VTGLMKXIAPZKOL-UHFFFAOYSA-N 0 0 443.511 2.501 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCN(c2ccccc2C)CC1 ZINC000013041088 132343476 /nfs/dbraw/zinc/34/34/76/132343476.db2.gz PJTNWNKSQWBTIT-UHFFFAOYSA-N 0 0 441.601 2.937 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ccccc3C)CC2)c1 ZINC000013056953 132343552 /nfs/dbraw/zinc/34/35/52/132343552.db2.gz NXBLEGFHYVKWAK-UHFFFAOYSA-N 0 0 444.601 2.786 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)cc1 ZINC000013109119 132344633 /nfs/dbraw/zinc/34/46/33/132344633.db2.gz QXZDYODAELAVLD-UHFFFAOYSA-N 0 0 437.525 2.548 50 0 IFAARN CCn1nnc2c1ncnc2N1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000013535045 132349394 /nfs/dbraw/zinc/34/93/94/132349394.db2.gz INRLTOAUFLYWHK-UHFFFAOYSA-N 0 0 442.527 2.862 50 0 IFAARN COc1ccc(CCNC(=O)[C@H]2CCCN(c3nc(Cl)nc4nc[nH]c43)C2)cc1OC ZINC000013569485 132350599 /nfs/dbraw/zinc/35/05/99/132350599.db2.gz DQORGRRYLDUDIG-AWEZNQCLSA-N 0 0 444.923 2.599 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc(Cl)nc4nc[nH]c43)C2)cc1OC ZINC000013569483 132350643 /nfs/dbraw/zinc/35/06/43/132350643.db2.gz DQORGRRYLDUDIG-CQSZACIVSA-N 0 0 444.923 2.599 50 0 IFAARN Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCCc2ccccc21 ZINC000013845038 132354863 /nfs/dbraw/zinc/35/48/63/132354863.db2.gz GITVEKKDTSFKNB-UHFFFAOYSA-N 0 0 439.516 2.956 50 0 IFAARN O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC(=O)c1ccccc1 ZINC000014137060 132356357 /nfs/dbraw/zinc/35/63/57/132356357.db2.gz LDHPQFYUKIOOFZ-UHFFFAOYSA-N 0 0 435.402 2.817 50 0 IFAARN COc1cc(Br)c(CCNC(=O)CN2C(=O)COc3ccccc32)cc1OC ZINC000014198344 132356784 /nfs/dbraw/zinc/35/67/84/132356784.db2.gz MVKQGJSHJVWAKG-UHFFFAOYSA-N 0 0 449.301 2.551 50 0 IFAARN COc1cc2nc(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)[nH]c(=O)c2cc1OC ZINC000014240906 132356935 /nfs/dbraw/zinc/35/69/35/132356935.db2.gz ZMZQWTXGBAUGPO-UHFFFAOYSA-N 0 0 449.433 2.676 50 0 IFAARN COCCn1c(C)cc(O)c([C@H](c2cccnc2)N2CCN(c3ccccc3)CC2)c1=O ZINC000016993445 132357159 /nfs/dbraw/zinc/35/71/59/132357159.db2.gz LCYOXWOPQCQHTG-DEOSSOPVSA-N 0 0 434.540 2.815 50 0 IFAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000035804822 518343238 /nfs/dbraw/zinc/34/32/38/518343238.db2.gz YHJKICWWUXNAON-UAKAABGRSA-N 0 0 449.894 2.974 50 0 IFAARN CC(=O)c1ccc(N2CCN(CC(=O)N3CCN([C@@H](C)c4ccccc4)CC3)CC2)cc1 ZINC000012527761 518349102 /nfs/dbraw/zinc/34/91/02/518349102.db2.gz JMHSQMBEUFHRPZ-NRFANRHFSA-N 0 0 434.584 2.917 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)Cn3cnc4c5cc(F)ccc5[nH]c4c3=O)CC2)cc1 ZINC000035423598 518349154 /nfs/dbraw/zinc/34/91/54/518349154.db2.gz NXWOXYDXONYOEY-UHFFFAOYSA-N 0 0 447.470 2.568 50 0 IFAARN CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000012556290 518350639 /nfs/dbraw/zinc/35/06/39/518350639.db2.gz ANWUXKCRFMEXBT-NRFANRHFSA-N 0 0 434.584 2.744 50 0 IFAARN CC(=O)c1ccc(OCC(=O)N2CCC3(C[C@H]3C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000012512283 518392782 /nfs/dbraw/zinc/39/27/82/518392782.db2.gz KCVFLHDARNNWFN-FVJLSDCUSA-N 0 0 428.529 2.533 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)c1 ZINC000035456022 518432062 /nfs/dbraw/zinc/43/20/62/518432062.db2.gz SARDMOKPQMAMAU-UHFFFAOYSA-N 0 0 430.508 2.951 50 0 IFAARN C/C=C\c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1 ZINC000035681416 518568846 /nfs/dbraw/zinc/56/88/46/518568846.db2.gz UIDHIMJCYWOEAA-CLTKARDFSA-N 0 0 430.526 2.640 50 0 IFAARN CC(C)(C)c1ccccc1OC[C@@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000022021142 519061946 /nfs/dbraw/zinc/06/19/46/519061946.db2.gz VTEVNHUIKVBJJX-UPCLLVRISA-N 0 0 440.496 2.920 50 0 IFAARN CC(C)(C)c1csc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 ZINC000012876794 519086056 /nfs/dbraw/zinc/08/60/56/519086056.db2.gz ICIKTEZWSGOSCM-UHFFFAOYSA-N 0 0 429.589 2.704 50 0 IFAARN CC(C)(CO)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)c1ccccc1 ZINC000089761825 519281686 /nfs/dbraw/zinc/28/16/86/519281686.db2.gz GSPQBJWYEDOIRB-NRFANRHFSA-N 0 0 430.570 2.907 50 0 IFAARN CC(C)(CO)[C@H](CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)c1ccccc1 ZINC000089761826 519282483 /nfs/dbraw/zinc/28/24/83/519282483.db2.gz GSPQBJWYEDOIRB-OAQYLSRUSA-N 0 0 430.570 2.907 50 0 IFAARN CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1(C)C ZINC000012696498 519444506 /nfs/dbraw/zinc/44/45/06/519444506.db2.gz LWZJUWCHDLHKRH-RXVVDRJESA-N 0 0 448.585 2.919 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000015328011 519562113 /nfs/dbraw/zinc/56/21/13/519562113.db2.gz IXRRJFKTSKWONQ-UHFFFAOYSA-N 0 0 435.933 2.898 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H]3c3nnc4ccccn43)ccc21 ZINC000012854735 519563617 /nfs/dbraw/zinc/56/36/17/519563617.db2.gz WXHWRBUYIGGULS-LJQANCHMSA-N 0 0 425.514 2.554 50 0 IFAARN CC(=O)N1CCN(C(=O)[C@H]2COC3(CCC(C)CC3)N2C(=O)c2cccc(Cl)c2)CC1 ZINC000036018066 519579678 /nfs/dbraw/zinc/57/96/78/519579678.db2.gz ZWMUNNMBRGVLDC-VRVFXRSRSA-N 0 0 447.963 2.778 50 0 IFAARN CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)nc1 ZINC000012865285 519582879 /nfs/dbraw/zinc/58/28/79/519582879.db2.gz NCGNGATYYAZCOX-UHFFFAOYSA-N 0 0 448.564 2.991 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3F)cc2C[C@@H]1C ZINC000020529390 519639681 /nfs/dbraw/zinc/63/96/81/519639681.db2.gz YSLCEEWOASRXJZ-LBPRGKRZSA-N 0 0 437.468 2.569 50 0 IFAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)O[C@@H](C)C(=O)Nc1ccc4c(c1)OCCO4)(C3)C2 ZINC000012852589 519643176 /nfs/dbraw/zinc/64/31/76/519643176.db2.gz VWCZATWHQPPPPO-DGSWBCODSA-N 0 0 442.512 2.803 50 0 IFAARN CC(C)CCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033024463 519655729 /nfs/dbraw/zinc/65/57/29/519655729.db2.gz DCWIAJLRLZWJCA-UHFFFAOYSA-N 0 0 447.536 2.944 50 0 IFAARN CC(C)CCNC(=O)[C@]1(C)CCC(=O)N1CCCN1CCN(c2ccccc2F)CC1 ZINC000021776485 519661368 /nfs/dbraw/zinc/66/13/68/519661368.db2.gz YCXBCBSKVMBBSM-DEOSSOPVSA-N 0 0 432.584 2.881 50 0 IFAARN CC(C)CN(C(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12)[C@@H]1CCS(=O)(=O)C1 ZINC000012633926 519705443 /nfs/dbraw/zinc/70/54/43/519705443.db2.gz YCYNWJPFANYRIM-CRAIPNDOSA-N 0 0 434.587 2.825 50 0 IFAARN CC(=O)Nc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c1 ZINC000012815425 519713344 /nfs/dbraw/zinc/71/33/44/519713344.db2.gz JTCWHEXTRGLUAY-OAQYLSRUSA-N 0 0 441.553 2.691 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000021872048 519723161 /nfs/dbraw/zinc/72/31/61/519723161.db2.gz NFKYUEAAIQUTGI-AWEZNQCLSA-N 0 0 443.525 2.745 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000021129488 519724116 /nfs/dbraw/zinc/72/41/16/519724116.db2.gz QMNIUPSMFUTHJE-HIFRSBDPSA-N 0 0 427.432 2.707 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000012906362 519725847 /nfs/dbraw/zinc/72/58/47/519725847.db2.gz JHEKICANSJBSBH-GJZGRUSLSA-N 0 0 431.514 2.695 50 0 IFAARN CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000022694217 519730333 /nfs/dbraw/zinc/73/03/33/519730333.db2.gz VDQAPZLWPRDMTP-GOSISDBHSA-N 0 0 449.548 2.713 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c1 ZINC000012237723 519742551 /nfs/dbraw/zinc/74/25/51/519742551.db2.gz IYXYCJMVMIJPAH-UHFFFAOYSA-N 0 0 436.859 2.833 50 0 IFAARN CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)Nc1sccc1C(N)=O)CCCC2 ZINC000021602442 519753974 /nfs/dbraw/zinc/75/39/74/519753974.db2.gz GZQYRYSVDRYGFU-VIFPVBQESA-N 0 0 435.527 2.930 50 0 IFAARN CC(C)COc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000012617230 519762409 /nfs/dbraw/zinc/76/24/09/519762409.db2.gz FMVIWCTYCNCGKU-UHFFFAOYSA-N 0 0 426.542 2.749 50 0 IFAARN CC(C)OCCCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 ZINC000012232964 519763341 /nfs/dbraw/zinc/76/33/41/519763341.db2.gz QJKMXQBTJYEHPE-MRXNPFEDSA-N 0 0 427.530 2.550 50 0 IFAARN CC(C)OCCCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 ZINC000012232965 519763430 /nfs/dbraw/zinc/76/34/30/519763430.db2.gz QJKMXQBTJYEHPE-INIZCTEOSA-N 0 0 427.530 2.550 50 0 IFAARN CC(C)COc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1 ZINC000035594976 519763453 /nfs/dbraw/zinc/76/34/53/519763453.db2.gz BZPBUKIRNHJESD-NRFANRHFSA-N 0 0 432.542 2.600 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000020901443 519779455 /nfs/dbraw/zinc/77/94/55/519779455.db2.gz SVDKONYMOCFXHN-QGZVFWFLSA-N 0 0 443.573 2.985 50 0 IFAARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1n[nH]c2ccccc21 ZINC000012547578 519781339 /nfs/dbraw/zinc/78/13/39/519781339.db2.gz HMEFEDDCBVDORZ-UHFFFAOYSA-N 0 0 444.513 2.623 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NCc1ccc(F)cc1 ZINC000021887940 519799272 /nfs/dbraw/zinc/79/92/72/519799272.db2.gz UCZNQABRTKZCKN-OAQYLSRUSA-N 0 0 447.532 2.720 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000032999990 519820030 /nfs/dbraw/zinc/82/00/30/519820030.db2.gz SBGFOBFBKOWBSU-ICSRJNTNSA-N 0 0 433.549 2.831 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000012109365 519820110 /nfs/dbraw/zinc/82/01/10/519820110.db2.gz UUKXQZFUJUWXBZ-IBGZPJMESA-N 0 0 433.505 2.660 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cnc2ccccc2c1 ZINC000012781839 519821229 /nfs/dbraw/zinc/82/12/29/519821229.db2.gz PRYVBSIFSBKYEN-NRFANRHFSA-N 0 0 441.509 2.948 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012208159 519821260 /nfs/dbraw/zinc/82/12/60/519821260.db2.gz JVHQTCXUZSUBRD-NRFANRHFSA-N 0 0 430.526 2.888 50 0 IFAARN CC(C)c1ccc(NC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000021713895 519837127 /nfs/dbraw/zinc/83/71/27/519837127.db2.gz PHXXSWZXRIHDIO-UHFFFAOYSA-N 0 0 449.486 2.846 50 0 IFAARN CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NC[C@H]3CCCO3)C2)cc1 ZINC000033310209 519886833 /nfs/dbraw/zinc/88/68/33/519886833.db2.gz IPYXKWOPOOMMLW-QFBILLFUSA-N 0 0 431.537 2.757 50 0 IFAARN CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@H]3C(=O)NCc3ccc(C)o3)ccc21 ZINC000033023697 519896457 /nfs/dbraw/zinc/89/64/57/519896457.db2.gz YGIBLTDELXUFLG-FQEVSTJZSA-N 0 0 445.545 2.602 50 0 IFAARN CCCNC(=O)[C@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000021662749 519896827 /nfs/dbraw/zinc/89/68/27/519896827.db2.gz BJVLJNXPHBGCEI-HXUWFJFHSA-N 0 0 429.542 2.927 50 0 IFAARN CCCCC(=O)N1CCN(Cc2noc(CCC(=O)N(CC)c3ccccc3)n2)CC1 ZINC000020936710 519907983 /nfs/dbraw/zinc/90/79/83/519907983.db2.gz UARQRYUMELRPNN-UHFFFAOYSA-N 0 0 427.549 2.890 50 0 IFAARN CCN(C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CCCCC1 ZINC000034889298 520012857 /nfs/dbraw/zinc/01/28/57/520012857.db2.gz YPMDOTPRPQKKRQ-QGZVFWFLSA-N 0 0 425.570 2.702 50 0 IFAARN CCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012412067 520051853 /nfs/dbraw/zinc/05/18/53/520051853.db2.gz HINYQIHSFLXHJX-UHFFFAOYSA-N 0 0 435.977 2.920 50 0 IFAARN CC1(C(=O)NCc2ccccc2)CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000035531090 520225458 /nfs/dbraw/zinc/22/54/58/520225458.db2.gz QLYSJCIVJUBJOC-UHFFFAOYSA-N 0 0 430.555 2.799 50 0 IFAARN CCN(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)NC(C)C ZINC000036062876 520313310 /nfs/dbraw/zinc/31/33/10/520313310.db2.gz PGVXKDOIBROAAY-UHFFFAOYSA-N 0 0 444.967 2.886 50 0 IFAARN CCCCN(C(=O)c1cnn(-c2ccccc2)c1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012881032 520363077 /nfs/dbraw/zinc/36/30/77/520363077.db2.gz SSCZXDDUVIQZGN-UHFFFAOYSA-N 0 0 438.532 2.860 50 0 IFAARN CCOC(=O)C1=C(C)N(CC(=O)NCc2ccccc2)c2ncnn2[C@H]1c1ccccc1 ZINC000021349940 520475396 /nfs/dbraw/zinc/47/53/96/520475396.db2.gz XLIUIEVTRZODBV-QFIPXVFZSA-N 0 0 431.496 2.841 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(C)C(=O)N[C@@H]1c1ccsc1 ZINC000035991625 520509038 /nfs/dbraw/zinc/50/90/38/520509038.db2.gz RJGVYKNLXSWEJD-GOSISDBHSA-N 0 0 435.546 2.537 50 0 IFAARN CCOC(=O)C1=C(CN(C)Cc2cnn(C)c2C)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000022469403 520509512 /nfs/dbraw/zinc/50/95/12/520509512.db2.gz VHUQMZXWAYOSKN-OAQYLSRUSA-N 0 0 425.533 2.764 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(C)c(C)c2)[C@](C)(C(=O)NC2CCCC2)C1 ZINC000021870119 520516732 /nfs/dbraw/zinc/51/67/32/520516732.db2.gz HDCGRBAXAOYEQZ-QFIPXVFZSA-N 0 0 435.590 2.509 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000020559140 520516707 /nfs/dbraw/zinc/51/67/07/520516707.db2.gz IXBDCALHSQALDB-FQEVSTJZSA-N 0 0 444.532 2.881 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2cccc(C)c2C)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870161 520517298 /nfs/dbraw/zinc/51/72/98/520517298.db2.gz JGALHMKCFHKIEW-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000035991723 520517619 /nfs/dbraw/zinc/51/76/19/520517619.db2.gz UEAGSTRNUMOIDF-KRWDZBQOSA-N 0 0 427.423 2.551 50 0 IFAARN CCCS(=O)(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C(C)C)CCCC4)CC1 ZINC000020733502 520527869 /nfs/dbraw/zinc/52/78/69/520527869.db2.gz PSPDKMTVZRDQCX-UHFFFAOYSA-N 0 0 438.619 2.780 50 0 IFAARN CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@H](C(CC)CC)N2CCOCC2)c1 ZINC000012823847 520540052 /nfs/dbraw/zinc/54/00/52/520540052.db2.gz XBXSWYPBBRTXNR-HXUWFJFHSA-N 0 0 425.595 2.705 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(Cl)cc1)C(=O)CO2 ZINC000035377007 520555612 /nfs/dbraw/zinc/55/56/12/520555612.db2.gz DDEQZZCSSGUPLK-UHFFFAOYSA-N 0 0 429.904 2.864 50 0 IFAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2nc(CC(N)=O)cs2)[C@@H]1c1ccc(OC)cc1 ZINC000013006976 520559771 /nfs/dbraw/zinc/55/97/71/520559771.db2.gz JYPWELMUUQJECK-APWZRJJASA-N 0 0 430.530 2.508 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C)cc43)o2)CC1 ZINC000035829640 520571128 /nfs/dbraw/zinc/57/11/28/520571128.db2.gz OKOXJUKZLDZCTP-UHFFFAOYSA-N 0 0 426.469 2.929 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)CC1 ZINC000033088456 520575346 /nfs/dbraw/zinc/57/53/46/520575346.db2.gz CZAXWTMXDWCQTM-UHFFFAOYSA-N 0 0 437.378 2.818 50 0 IFAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3nnnc1N1CCCC1 ZINC000020827928 520580601 /nfs/dbraw/zinc/58/06/01/520580601.db2.gz LIXDVOQSBQNNNC-UHFFFAOYSA-N 0 0 426.546 2.923 50 0 IFAARN CCOC(=O)C1CC[NH+]([C@@H](c2sc3ncnn3c2[O-])c2ccc(OC)c(OC)c2)CC1 ZINC000022609355 520582116 /nfs/dbraw/zinc/58/21/16/520582116.db2.gz FJCAXUANDDFVLZ-QGZVFWFLSA-N 0 0 446.529 2.878 50 0 IFAARN CC1(C)O[C@@H]2[C@H](O1)[C@@H]1OC(C)(C)O[C@@H]1O[C@@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012406361 520613496 /nfs/dbraw/zinc/61/34/96/520613496.db2.gz DYPWYALADNLMHN-BLDNINTCSA-N 0 0 433.379 2.920 50 0 IFAARN CCOC(=O)CNC(=O)C[C@H](c1ccc(OCC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000021530631 520782985 /nfs/dbraw/zinc/78/29/85/520782985.db2.gz VETOLFZMSGFIDR-LJQANCHMSA-N 0 0 440.496 2.860 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cn2c3ccccc3n(C)c2=O)c1 ZINC000012736918 520783371 /nfs/dbraw/zinc/78/33/71/520783371.db2.gz BWQJOKORUACKNF-UHFFFAOYSA-N 0 0 444.557 2.626 50 0 IFAARN CCOc1cc2[nH]c(=O)n(CCCC(=O)N[C@@H]3CCCC[C@H]3C)c(=O)c2cc1OCC ZINC000002952461 520788028 /nfs/dbraw/zinc/78/80/28/520788028.db2.gz VJWGCNOXOUDWEZ-NVXWUHKLSA-N 0 0 431.533 2.962 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000012788421 520789267 /nfs/dbraw/zinc/78/92/67/520789267.db2.gz CIPHNTKVSZKBLN-UHFFFAOYSA-N 0 0 432.329 2.824 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4Cl)ncn3n2)cc1 ZINC000021027542 520807510 /nfs/dbraw/zinc/80/75/10/520807510.db2.gz LMPIEBJXSNNOJT-UHFFFAOYSA-N 0 0 437.887 2.927 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ncc(C)s1)n2C ZINC000012601742 520813096 /nfs/dbraw/zinc/81/30/96/520813096.db2.gz DXZPMQNPOLJDMG-UHFFFAOYSA-N 0 0 435.575 2.940 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000012696051 520817825 /nfs/dbraw/zinc/81/78/25/520817825.db2.gz DKGLWDGJPUXVBN-UHFFFAOYSA-N 0 0 428.514 2.525 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc3ccccc3[nH]2)c1 ZINC000021280344 520818611 /nfs/dbraw/zinc/81/86/11/520818611.db2.gz KVVYXEPLZABNCL-UHFFFAOYSA-N 0 0 429.498 2.994 50 0 IFAARN CCOc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(CCCOC)c3=O)n2)cc1 ZINC000023126569 520828656 /nfs/dbraw/zinc/82/86/56/520828656.db2.gz NECCWJLLHAUNSV-UHFFFAOYSA-N 0 0 436.468 2.697 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000021010885 520840996 /nfs/dbraw/zinc/84/09/96/520840996.db2.gz ULFCKUUPUQCOHK-UHFFFAOYSA-N 0 0 443.511 2.880 50 0 IFAARN CCOc1ccc(-n2nnnc2CN2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)cc1 ZINC000023134975 520841241 /nfs/dbraw/zinc/84/12/41/520841241.db2.gz CMODIDBEEITGSU-QFIPXVFZSA-N 0 0 434.544 2.899 50 0 IFAARN CCOc1ccc(/C=C2\N=C(c3cccc(S(=O)(=O)N(C)C)c3)OC2=O)cc1OC ZINC000012808935 520849719 /nfs/dbraw/zinc/84/97/19/520849719.db2.gz AZRAYCFNNBTIJD-BOPFTXTBSA-N 0 0 430.482 2.689 50 0 IFAARN CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(Cc2cc(C)no2)CC1 ZINC000022245788 520862457 /nfs/dbraw/zinc/86/24/57/520862457.db2.gz FFKHPAHKMGHAJU-UHFFFAOYSA-N 0 0 444.351 2.651 50 0 IFAARN CCN(CC)c1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000012597233 520887797 /nfs/dbraw/zinc/88/77/97/520887797.db2.gz SJPIXZTYHBTRPU-UHFFFAOYSA-N 0 0 425.558 2.560 50 0 IFAARN CCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(C)c1 ZINC000020510174 520916217 /nfs/dbraw/zinc/91/62/17/520916217.db2.gz YLQSEUQXBFZAPL-UHFFFAOYSA-N 0 0 445.541 2.975 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1 ZINC000041253778 520926229 /nfs/dbraw/zinc/92/62/29/520926229.db2.gz ULELKUAJQYQIAX-UHFFFAOYSA-N 0 0 432.908 2.691 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)CC1 ZINC000012194744 520928693 /nfs/dbraw/zinc/92/86/93/520928693.db2.gz TWAZYMNXFGFMKI-UHFFFAOYSA-N 0 0 443.953 2.621 50 0 IFAARN CCOc1ccc(CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1OCC ZINC000012876677 520948544 /nfs/dbraw/zinc/94/85/44/520948544.db2.gz KVSZQISSSRTWJA-QMHKHESXSA-N 0 0 431.533 2.643 50 0 IFAARN CCCCSCCCNC(=O)Cn1nc(C)n2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000021807974 520955597 /nfs/dbraw/zinc/95/55/97/520955597.db2.gz OQWRXJLBIZNDJO-UHFFFAOYSA-N 0 0 443.573 2.915 50 0 IFAARN CCOc1ccc(CN(C)C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022772919 520959060 /nfs/dbraw/zinc/95/90/60/520959060.db2.gz IVSMZJPBQVMKPR-UHFFFAOYSA-N 0 0 425.529 2.590 50 0 IFAARN CCOC(=O)N1CCN([C@H](c2ccc(F)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697735 520960316 /nfs/dbraw/zinc/96/03/16/520960316.db2.gz RKAXWKWXDLKCJU-OAQYLSRUSA-N 0 0 447.507 2.511 50 0 IFAARN CC1CCN(C(=O)CN2c3cc(C(=O)N4CCCC4)ccc3N3CCCC[C@H]3C2=O)CC1 ZINC000035445763 520977532 /nfs/dbraw/zinc/97/75/32/520977532.db2.gz ZHUFCVVLWRZLLU-NRFANRHFSA-N 0 0 438.572 2.887 50 0 IFAARN CC1CCN(C(=O)CN2c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3CCC2=O)CC1 ZINC000035428801 520979836 /nfs/dbraw/zinc/97/98/36/520979836.db2.gz IDEZGOKUMYOVLB-UHFFFAOYSA-N 0 0 447.601 2.645 50 0 IFAARN CC1CCN(C(=O)CN2c3ccc(S(=O)(=O)N4CCCCC4)cc3CCCC2=O)CC1 ZINC000035460712 520980019 /nfs/dbraw/zinc/98/00/19/520980019.db2.gz DARSTCBWHFTBDP-UHFFFAOYSA-N 0 0 447.601 2.789 50 0 IFAARN CC1CCN(Cc2nnnn2CCCC(=O)N[C@@H](c2ccccn2)C(F)(F)F)CC1 ZINC000012298493 521027641 /nfs/dbraw/zinc/02/76/41/521027641.db2.gz DMRNRZBZVWNVHF-SFHVURJKSA-N 0 0 425.459 2.500 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)N2CCCCC2)CC1 ZINC000035398797 521031235 /nfs/dbraw/zinc/03/12/35/521031235.db2.gz JKJCTZWXGOLLHA-UHFFFAOYSA-N 0 0 447.601 2.744 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)N2CCCCCC2)CC1 ZINC000035428790 521032009 /nfs/dbraw/zinc/03/20/09/521032009.db2.gz MABSNUFLECGOKP-UHFFFAOYSA-N 0 0 447.601 2.789 50 0 IFAARN CCOc1ccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021872767 521039539 /nfs/dbraw/zinc/03/95/39/521039539.db2.gz PWTZWFNPVGZELR-HSZRJFAPSA-N 0 0 440.500 2.546 50 0 IFAARN CC1CCN(c2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nn2)CC1 ZINC000042379776 521043219 /nfs/dbraw/zinc/04/32/19/521043219.db2.gz BDCLENYUHLFHPL-UHFFFAOYSA-N 0 0 437.516 2.502 50 0 IFAARN CCOc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1 ZINC000016506518 521056005 /nfs/dbraw/zinc/05/60/05/521056005.db2.gz ORZTYGCPSSEKHI-UHFFFAOYSA-N 0 0 430.530 2.794 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)C1 ZINC000015883325 521109291 /nfs/dbraw/zinc/10/92/91/521109291.db2.gz UFTPMLRAEUMXBZ-GOSISDBHSA-N 0 0 437.471 2.999 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NC1CCCCC1 ZINC000021636233 521166128 /nfs/dbraw/zinc/16/61/28/521166128.db2.gz JXLMAMXVHUUQIC-NRFANRHFSA-N 0 0 447.601 2.978 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NC1CCCCC1 ZINC000021636227 521166294 /nfs/dbraw/zinc/16/62/94/521166294.db2.gz JXLMAMXVHUUQIC-OAQYLSRUSA-N 0 0 447.601 2.978 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccnc3)C2)cc1Cl ZINC000013567108 521192840 /nfs/dbraw/zinc/19/28/40/521192840.db2.gz KYNVAJFNUKDLGN-MRXNPFEDSA-N 0 0 437.949 2.851 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000012273929 521194749 /nfs/dbraw/zinc/19/47/49/521194749.db2.gz VNQWYRUNHOQJCI-FQEVSTJZSA-N 0 0 431.514 2.836 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CCCCCC3)CC2)cc1 ZINC000012896776 521197462 /nfs/dbraw/zinc/19/74/62/521197462.db2.gz SXIUKBNLDHLRAN-GOSISDBHSA-N 0 0 437.606 2.619 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(F)cc4c3OCOC4)CC2)cc1 ZINC000012791568 521197489 /nfs/dbraw/zinc/19/74/89/521197489.db2.gz SHHNLPMBGFNSIZ-UHFFFAOYSA-N 0 0 436.505 2.597 50 0 IFAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCC3=O)cc2)cc1 ZINC000012536156 521211735 /nfs/dbraw/zinc/21/17/35/521211735.db2.gz LFALQYZAPSLHDP-UHFFFAOYSA-N 0 0 445.541 2.628 50 0 IFAARN CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1cccc(F)c1 ZINC000034693530 521230137 /nfs/dbraw/zinc/23/01/37/521230137.db2.gz LLURLYGVYRPMMV-HNNXBMFYSA-N 0 0 436.443 2.660 50 0 IFAARN CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000015506132 521248028 /nfs/dbraw/zinc/24/80/28/521248028.db2.gz ZOORSAIISUSPPR-NYHFZMIOSA-N 0 0 432.423 2.764 50 0 IFAARN CCC(C)(C)C(=O)N1CCN(c2ncccc2C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000022655781 521264859 /nfs/dbraw/zinc/26/48/59/521264859.db2.gz ZOEQQWRUKAMSIG-UHFFFAOYSA-N 0 0 438.528 2.825 50 0 IFAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)NCc1ccc(F)cc1 ZINC000015883593 521287725 /nfs/dbraw/zinc/28/77/25/521287725.db2.gz GTNBPUJRLYWKPY-UHFFFAOYSA-N 0 0 444.532 2.522 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)Cn2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)C1 ZINC000013362552 521291805 /nfs/dbraw/zinc/29/18/05/521291805.db2.gz YIYGZMDHQMYYLZ-AWEZNQCLSA-N 0 0 444.875 2.507 50 0 IFAARN CCCCn1c(S[C@@H](C)C(=O)Nc2ncccn2)nc2cc(C(=O)OC)ccc2c1=O ZINC000012269206 521371981 /nfs/dbraw/zinc/37/19/81/521371981.db2.gz JVROVGRESMDSQZ-ZDUSSCGKSA-N 0 0 441.513 2.893 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)CN(CCOC)C(=O)c2cccc(OC)c2)c(C)n1C ZINC000035989546 521385465 /nfs/dbraw/zinc/38/54/65/521385465.db2.gz UYGZMJRZRHCPFT-UHFFFAOYSA-N 0 0 430.501 2.799 50 0 IFAARN CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)C3CC3)CC2)sc2c1CC[C@@H](C)C2 ZINC000012747979 521408575 /nfs/dbraw/zinc/40/85/75/521408575.db2.gz FXFWLDRGSDCGFE-CQSZACIVSA-N 0 0 433.574 2.542 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000012857725 521408934 /nfs/dbraw/zinc/40/89/34/521408934.db2.gz WTTWOWVIXKFTMF-QGZVFWFLSA-N 0 0 440.569 2.943 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000012857718 521410132 /nfs/dbraw/zinc/41/01/32/521410132.db2.gz WTTWOWVIXKFTMF-KRWDZBQOSA-N 0 0 440.569 2.943 50 0 IFAARN CCCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000012749776 521424178 /nfs/dbraw/zinc/42/41/78/521424178.db2.gz FIIXMBHWUFBQHA-INIZCTEOSA-N 0 0 438.571 2.796 50 0 IFAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)C1CC1 ZINC000036030843 521431463 /nfs/dbraw/zinc/43/14/63/521431463.db2.gz NSENUZWFPTYGRI-HXUWFJFHSA-N 0 0 449.548 2.934 50 0 IFAARN CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000013113494 521445441 /nfs/dbraw/zinc/44/54/41/521445441.db2.gz BLKPYLDLODDUOJ-ZDUSSCGKSA-N 0 0 447.542 2.796 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2c(C)cccc2CC)cn1C ZINC000035376221 521446387 /nfs/dbraw/zinc/44/63/87/521446387.db2.gz UUVPTTLRDSBNQV-GOSISDBHSA-N 0 0 447.557 2.864 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C2=O ZINC000021879079 521450889 /nfs/dbraw/zinc/45/08/89/521450889.db2.gz DOLJGWXBNUYXKI-DEOSSOPVSA-N 0 0 438.528 2.842 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(c1ccc(C)c(F)c1)C2=O ZINC000021781481 521451748 /nfs/dbraw/zinc/45/17/48/521451748.db2.gz WHFUNJROSCMFFT-QHCPKHFHSA-N 0 0 442.491 2.985 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(c1ccc(OC)cc1)C2=O ZINC000021781321 521456835 /nfs/dbraw/zinc/45/68/35/521456835.db2.gz HILFZNIIUDKLJL-HSZRJFAPSA-N 0 0 442.516 2.650 50 0 IFAARN CCN(Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012558103 521470039 /nfs/dbraw/zinc/47/00/39/521470039.db2.gz UXWUANYQLJVEFD-GOSISDBHSA-N 0 0 429.571 2.932 50 0 IFAARN CCOc1ccccc1CN1CCN(Cc2cc(OC)c(O)c(OC)c2)C[C@@H]1CCO ZINC000020600428 521485254 /nfs/dbraw/zinc/48/52/54/521485254.db2.gz CQOBYLAAIXDKEV-FQEVSTJZSA-N 0 0 430.545 2.877 50 0 IFAARN CCOc1ccccc1CN1CCc2nc(N3CCN(c4ncccn4)CC3)ncc2C1 ZINC000021040065 521486457 /nfs/dbraw/zinc/48/64/57/521486457.db2.gz RBXLVXRGAOJOHQ-UHFFFAOYSA-N 0 0 431.544 2.550 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)cc1 ZINC000035431334 521512395 /nfs/dbraw/zinc/51/23/95/521512395.db2.gz SAOPXPSAIVIPPR-OAHLLOKOSA-N 0 0 433.530 2.875 50 0 IFAARN CCOc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000020529561 521524919 /nfs/dbraw/zinc/52/49/19/521524919.db2.gz JOSCPAMRKAXCBX-OAHLLOKOSA-N 0 0 445.541 2.690 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(C)o3)CC2)cc1 ZINC000017957429 521527745 /nfs/dbraw/zinc/52/77/45/521527745.db2.gz ZYSFTMOKHUIHKC-UHFFFAOYSA-N 0 0 448.541 2.824 50 0 IFAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N ZINC000012348794 521531237 /nfs/dbraw/zinc/53/12/37/521531237.db2.gz JTMYAMRFKZORGD-UHFFFAOYSA-N 0 0 429.502 2.806 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1nc2c(N3CCCC3)nc3ccccc3n2c1=O ZINC000035425513 521536235 /nfs/dbraw/zinc/53/62/35/521536235.db2.gz UIVHVOCIPIFITG-UHFFFAOYSA-N 0 0 432.484 2.682 50 0 IFAARN CCN1C(=O)c2cc(C(=O)Nc3cccc(F)c3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877403 521537710 /nfs/dbraw/zinc/53/77/10/521537710.db2.gz FUVGHIVHDDWMLD-QFIPXVFZSA-N 0 0 427.480 2.568 50 0 IFAARN CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCc1ccccc1C ZINC000021919894 521538724 /nfs/dbraw/zinc/53/87/24/521538724.db2.gz MNVZGPJFLIGUMQ-VWLOTQADSA-N 0 0 432.524 2.617 50 0 IFAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000036719253 521552290 /nfs/dbraw/zinc/55/22/90/521552290.db2.gz UNRGQWFQDAMBSO-UHFFFAOYSA-N 0 0 433.386 2.821 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)c1N ZINC000021651910 521578313 /nfs/dbraw/zinc/57/83/13/521578313.db2.gz CMUCDQNTISLNFT-UHFFFAOYSA-N 0 0 438.484 2.621 50 0 IFAARN CCOC(=O)c1cnn(-c2nc3ccccc3[nH]2)c1CN1CCC[C@@H](C(=O)OCC)C1 ZINC000012240614 521579400 /nfs/dbraw/zinc/57/94/00/521579400.db2.gz WQKMQXMHHGPYQF-OAHLLOKOSA-N 0 0 425.489 2.700 50 0 IFAARN CCCc1noc(Cn2cnc3c4ccccc4n(CC(=O)NCc4ccco4)c3c2=O)n1 ZINC000033280983 521591229 /nfs/dbraw/zinc/59/12/29/521591229.db2.gz QJDVSTSGKAPUSM-UHFFFAOYSA-N 0 0 446.467 2.644 50 0 IFAARN CCOC(=O)c1nn(CCOC)c2c1CN(C(=O)c1c(C)onc1-c1ccccc1)CC2 ZINC000020857396 521604041 /nfs/dbraw/zinc/60/40/41/521604041.db2.gz WPLUSIFOVYFQNY-UHFFFAOYSA-N 0 0 438.484 2.868 50 0 IFAARN CCOC(=O)c1sc(NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)nc1C ZINC000012693433 521614038 /nfs/dbraw/zinc/61/40/38/521614038.db2.gz VAAKACXQPHAWHR-AWEZNQCLSA-N 0 0 447.538 2.985 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccccc2C)c1=O ZINC000033141032 521618542 /nfs/dbraw/zinc/61/85/42/521618542.db2.gz UGFJFURUWUCHLM-UHFFFAOYSA-N 0 0 441.557 2.967 50 0 IFAARN CCCn1c2ccccc2n(CC(=O)NCC(=O)Nc2ccccc2Br)c1=O ZINC000012935556 521638415 /nfs/dbraw/zinc/63/84/15/521638415.db2.gz ICSVRPRSICUYSD-UHFFFAOYSA-N 0 0 445.317 2.730 50 0 IFAARN CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(C(F)(F)F)n3C)ccc21 ZINC000009799129 521667840 /nfs/dbraw/zinc/66/78/40/521667840.db2.gz LGRXCVFCSHHUDD-UHFFFAOYSA-N 0 0 434.465 2.521 50 0 IFAARN CCS(=O)(=O)c1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000021693619 521689325 /nfs/dbraw/zinc/68/93/25/521689325.db2.gz VWJFPPFFDCNSNV-UHFFFAOYSA-N 0 0 430.507 2.781 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 ZINC000012817052 521690438 /nfs/dbraw/zinc/69/04/38/521690438.db2.gz QHIFIXQOSWJKDF-HXUWFJFHSA-N 0 0 449.960 2.608 50 0 IFAARN CCCN1C(=O)[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)N=C1c1ccccc1 ZINC000020622648 521701203 /nfs/dbraw/zinc/70/12/03/521701203.db2.gz IHBMRUYNNZKBJX-GOSISDBHSA-N 0 0 425.432 2.923 50 0 IFAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc(C(C)C)cc4)c(=O)c3s2)CC1 ZINC000021886379 521701460 /nfs/dbraw/zinc/70/14/60/521701460.db2.gz ZQOOGYDIPSVJCP-UHFFFAOYSA-N 0 0 440.573 2.757 50 0 IFAARN CCCN1C(=O)c2c(C(=O)NCc3cccs3)ncn2C[C@]1(C)C(=O)NCCC(C)C ZINC000021919257 521702114 /nfs/dbraw/zinc/70/21/14/521702114.db2.gz UUEWBPFRMUPEFD-JOCHJYFZSA-N 0 0 445.589 2.661 50 0 IFAARN CCNC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1)C(C)C ZINC000036016630 521739274 /nfs/dbraw/zinc/73/92/74/521739274.db2.gz IYGAOLVJQHMLGI-UHFFFAOYSA-N 0 0 446.596 2.695 50 0 IFAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1CCOC)C(C)C ZINC000036040515 521739494 /nfs/dbraw/zinc/73/94/94/521739494.db2.gz SSXDJSUQPSNXRO-UHFFFAOYSA-N 0 0 440.541 2.582 50 0 IFAARN CCNC(=O)N1CCN(c2nc(COC)nc3c2c(C)nn3-c2cccc(Cl)c2)CC1 ZINC000036019761 521740011 /nfs/dbraw/zinc/74/00/11/521740011.db2.gz OTUJWKQZEHLXTI-UHFFFAOYSA-N 0 0 443.939 2.775 50 0 IFAARN COC(=O)c1c(C)c(C(C)C)sc1NC(=O)Cc1sc(N2CCOCC2)nc1O ZINC000012323330 521752485 /nfs/dbraw/zinc/75/24/85/521752485.db2.gz UOKPOMHASWJSQC-LBPRGKRZSA-N 0 0 439.559 2.625 50 0 IFAARN CCc1cccc(NC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(C)C3=O)c1 ZINC000021874884 521766042 /nfs/dbraw/zinc/76/60/42/521766042.db2.gz CIQJTUBFURSUDO-XMMPIXPASA-N 0 0 437.544 2.991 50 0 IFAARN COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)c1ccccc1C)CC2 ZINC000012098516 521780681 /nfs/dbraw/zinc/78/06/81/521780681.db2.gz WSDKUCYDISMYKD-UHFFFAOYSA-N 0 0 447.491 2.616 50 0 IFAARN COc1c(C)c2c(c(O)c1C/C=C(/C)CCC(=O)OCCN1CCOCC1)C(=O)OC2 ZINC000022064264 521784467 /nfs/dbraw/zinc/78/44/67/521784467.db2.gz RTGDFNSFWBGLEC-TVPGTPATSA-N 0 0 433.501 2.524 50 0 in-vitro IFAARN CCc1cccc2c(C(=O)COC(=O)c3ccc(CCNS(C)(=O)=O)s3)c[nH]c21 ZINC000012847684 521786707 /nfs/dbraw/zinc/78/67/07/521786707.db2.gz GKGBLFYPZAXXMH-UHFFFAOYSA-N 0 0 434.539 2.923 50 0 IFAARN COC(=O)c1c2c(sc1S(=O)(=O)NC1CC1)CN(C(=O)c1cc(C)cc(C)c1)CC2 ZINC000012454866 521789128 /nfs/dbraw/zinc/78/91/28/521789128.db2.gz ZUAXFQOOTRIDRS-UHFFFAOYSA-N 0 0 448.566 2.791 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)nc(SCc1cc(=O)n3ccccc3n1)n2C1CC1 ZINC000021098483 521828293 /nfs/dbraw/zinc/82/82/93/521828293.db2.gz NFPASWJSCMPUHG-UHFFFAOYSA-N 0 0 449.492 2.522 50 0 IFAARN CC[C@@H](C(=O)NCCCc1ccccc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403084 521836791 /nfs/dbraw/zinc/83/67/91/521836791.db2.gz WZZPNCBAKYDOKE-NRFANRHFSA-N 0 0 425.504 2.524 50 0 IFAARN CCc1ccccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015680151 521852246 /nfs/dbraw/zinc/85/22/46/521852246.db2.gz MGGRDOPUXQZOMW-HSZRJFAPSA-N 0 0 449.617 2.845 50 0 IFAARN COC(=O)c1cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Cl ZINC000012850691 521880067 /nfs/dbraw/zinc/88/00/67/521880067.db2.gz SLPFZYIHUASCDO-UHFFFAOYSA-N 0 0 439.873 2.700 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O ZINC000012778290 521898655 /nfs/dbraw/zinc/89/86/55/521898655.db2.gz OBPQOKXPPQSWKY-UHFFFAOYSA-N 0 0 441.415 2.736 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000012662038 521899759 /nfs/dbraw/zinc/89/97/59/521899759.db2.gz SNQSUPOPEYJQED-UHFFFAOYSA-N 0 0 427.409 2.923 50 0 IFAARN CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCCc2nc3c(cccc3C)[nH]2)c1=O ZINC000012246570 521921826 /nfs/dbraw/zinc/92/18/26/521921826.db2.gz NUJHQEJHALUEDY-UHFFFAOYSA-N 0 0 435.528 2.870 50 0 IFAARN CNC(=O)c1ccn(-c2ccc(NC(=O)c3nn(C(C)C)c(=O)c4ccccc43)cc2)n1 ZINC000058192168 521923174 /nfs/dbraw/zinc/92/31/74/521923174.db2.gz JGXJQBXAKJUVQV-UHFFFAOYSA-N 0 0 430.468 2.775 50 0 IFAARN CN(C)S(=O)(=O)c1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)ccc1Cl ZINC000021067186 521970645 /nfs/dbraw/zinc/97/06/45/521970645.db2.gz SFFIQDDGFRCWIP-UHFFFAOYSA-N 0 0 435.933 2.869 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000012660089 521972095 /nfs/dbraw/zinc/97/20/95/521972095.db2.gz QCAHZYMGZAQSFX-DJJJIMSYSA-N 0 0 445.903 2.765 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC000012488926 521979747 /nfs/dbraw/zinc/97/97/47/521979747.db2.gz OJFHKWHVADXABW-UHFFFAOYSA-N 0 0 447.538 2.602 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC000012903880 521985606 /nfs/dbraw/zinc/98/56/06/521985606.db2.gz JELRKUXARNKAJD-HNNXBMFYSA-N 0 0 435.933 2.578 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccccc1OC(F)F ZINC000024511949 521991120 /nfs/dbraw/zinc/99/11/20/521991120.db2.gz CWEPGGOYVYDCMP-UHFFFAOYSA-N 0 0 425.457 2.540 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)N3CCCCC3)n2Cc2ccncc2)c1 ZINC000035509491 521993034 /nfs/dbraw/zinc/99/30/34/521993034.db2.gz QWYGGWCMKBSNDP-UHFFFAOYSA-N 0 0 426.542 2.961 50 0 IFAARN COC(=O)c1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000012751853 522019805 /nfs/dbraw/zinc/01/98/05/522019805.db2.gz ICNOALLQDSMJIT-UHFFFAOYSA-N 0 0 425.510 2.899 50 0 IFAARN COC(=O)c1ccc(CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1 ZINC000012811941 522020551 /nfs/dbraw/zinc/02/05/51/522020551.db2.gz XEJHJFIEEQAWNR-UHFFFAOYSA-N 0 0 444.285 2.652 50 0 IFAARN COC(=O)c1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc32)cc1 ZINC000012718763 522021037 /nfs/dbraw/zinc/02/10/37/522021037.db2.gz SDTDJMVSWOUCHR-HSZRJFAPSA-N 0 0 445.519 2.633 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2ccc(Cl)cc2)c1=O ZINC000034694196 522057342 /nfs/dbraw/zinc/05/73/42/522057342.db2.gz CRXBKIHUAGCCIH-UHFFFAOYSA-N 0 0 446.841 2.975 50 0 IFAARN COCCn1c(CN(CC2CC2)C(=O)C(C)C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030347 522068090 /nfs/dbraw/zinc/06/80/90/522068090.db2.gz ZQDNSZGOZRYKIG-UHFFFAOYSA-N 0 0 433.574 2.898 50 0 IFAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)CCC2CCCCC2)c(=O)[nH]c1=O ZINC000012758025 522069860 /nfs/dbraw/zinc/06/98/60/522069860.db2.gz BXTIDMRWBISFHV-UHFFFAOYSA-N 0 0 428.533 2.659 50 0 IFAARN COCCn1c(SCC(=O)NC[C@H]2COc3ccccc3O2)nnc1-c1ccccc1 ZINC000012885300 522070500 /nfs/dbraw/zinc/07/05/00/522070500.db2.gz QDDWPSKLZUIWIL-KRWDZBQOSA-N 0 0 440.525 2.640 50 0 IFAARN COc1cc(C(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc(OC)c1OC ZINC000012223742 522081336 /nfs/dbraw/zinc/08/13/36/522081336.db2.gz OMNKYEFAZDZDNQ-UHFFFAOYSA-N 0 0 430.505 2.560 50 0 IFAARN COc1cc(C(=O)NCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc(OC)c1OC ZINC000012519983 522102748 /nfs/dbraw/zinc/10/27/48/522102748.db2.gz TZSGFYFBHZLCHV-HNNXBMFYSA-N 0 0 438.484 2.505 50 0 IFAARN COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCc3ccccc3C2)c1 ZINC000009661557 522117641 /nfs/dbraw/zinc/11/76/41/522117641.db2.gz RJIGBEYWSGOMCE-UHFFFAOYSA-N 0 0 428.492 2.984 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)NCC(=O)Nc3ccc(OC)cc3)c(C)s2)no1 ZINC000035556317 522142131 /nfs/dbraw/zinc/14/21/31/522142131.db2.gz DJMJTAGDLXSIHM-UHFFFAOYSA-N 0 0 436.515 2.595 50 0 IFAARN CC[C@@H](C)NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033024494 522143213 /nfs/dbraw/zinc/14/32/13/522143213.db2.gz ZPMSMZDLZNEHKE-CQSZACIVSA-N 0 0 429.546 2.866 50 0 IFAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N4CCCCC4)CC3)c2)no1 ZINC000021707957 522149189 /nfs/dbraw/zinc/14/91/89/522149189.db2.gz XVJMZZLGNMQCNI-UHFFFAOYSA-N 0 0 438.575 2.774 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(COC(=O)c1c(C)c(C)sc1NC(C)=O)[nH]c2=O ZINC000009253991 522183975 /nfs/dbraw/zinc/18/39/75/522183975.db2.gz YXPQHZKXPJXRMH-UHFFFAOYSA-N 0 0 429.454 2.703 50 0 IFAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000012789784 522253794 /nfs/dbraw/zinc/25/37/94/522253794.db2.gz UCHAAJKSOJEUKU-UKRRQHHQSA-N 0 0 438.933 2.843 50 0 IFAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000012789775 522254084 /nfs/dbraw/zinc/25/40/84/522254084.db2.gz UCHAAJKSOJEUKU-HIFRSBDPSA-N 0 0 438.933 2.843 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)ccc1Cl ZINC000012765383 522263992 /nfs/dbraw/zinc/26/39/92/522263992.db2.gz ASYNYUHIRLLDEP-MRXNPFEDSA-N 0 0 430.357 2.934 50 0 IFAARN COC(=O)c1ccncc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020405295 522301030 /nfs/dbraw/zinc/30/10/30/522301030.db2.gz CQCBELFEBPDXCG-UHFFFAOYSA-N 0 0 428.798 2.898 50 0 IFAARN COc1cc(CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)ccc1OC(F)F ZINC000012855907 522345564 /nfs/dbraw/zinc/34/55/64/522345564.db2.gz LMOOVTCZEPRUSI-UHFFFAOYSA-N 0 0 440.468 2.891 50 0 IFAARN COc1cc(CN2CCN(Cc3ccc4nsnc4c3)C[C@@H]2CCO)cc(OC)c1 ZINC000020916551 522380401 /nfs/dbraw/zinc/38/04/01/522380401.db2.gz UPKTZRVDXUHNGW-SFHVURJKSA-N 0 0 428.558 2.777 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(c1ccc(F)cc1)[C@](C)(C(=O)NCc1ccccc1)C2 ZINC000021926205 522396783 /nfs/dbraw/zinc/39/67/83/522396783.db2.gz WSZLRYKBSAKZQL-QHCPKHFHSA-N 0 0 436.443 2.544 50 0 IFAARN CN(CC(=O)N(C)c1nc2ccccc2s1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000012750035 522423598 /nfs/dbraw/zinc/42/35/98/522423598.db2.gz IADRVXYUABOGKT-UHFFFAOYSA-N 0 0 447.538 2.741 50 0 IFAARN CN(CC(=O)N1CCOCC1)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000012737273 522446034 /nfs/dbraw/zinc/44/60/34/522446034.db2.gz BQJMLYJMKPUBBA-UHFFFAOYSA-N 0 0 428.876 2.717 50 0 IFAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012506218 522501247 /nfs/dbraw/zinc/50/12/47/522501247.db2.gz OPYDBWUUAXHTSI-UHFFFAOYSA-N 0 0 442.541 2.567 50 0 IFAARN CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000035452194 522502286 /nfs/dbraw/zinc/50/22/86/522502286.db2.gz LQAGGFJFFCDTCA-UHFFFAOYSA-N 0 0 444.296 2.584 50 0 IFAARN CN(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1)C(=O)c1ccco1 ZINC000036016551 522504970 /nfs/dbraw/zinc/50/49/70/522504970.db2.gz OUSXLJUDKNGTJP-UHFFFAOYSA-N 0 0 441.532 2.620 50 0 IFAARN CN(CC(=O)Nc1ccccc1Cl)CC(=O)N1CCN(Cc2ccccc2F)CC1 ZINC000012763649 522520872 /nfs/dbraw/zinc/52/08/72/522520872.db2.gz BZJBVUNDUPTAPK-UHFFFAOYSA-N 0 0 432.927 2.694 50 0 IFAARN COc1cc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc(OC)c1 ZINC000012554975 522662249 /nfs/dbraw/zinc/66/22/49/522662249.db2.gz QXAYBJOTJIQCCX-QFIPXVFZSA-N 0 0 439.512 2.922 50 0 IFAARN COc1cc(NC(=O)N2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)cc(OC)c1OC ZINC000035432270 522682297 /nfs/dbraw/zinc/68/22/97/522682297.db2.gz WWCVPACGSFJPOY-UHFFFAOYSA-N 0 0 438.484 2.656 50 0 IFAARN COc1cc(NC(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)cc(OC)c1 ZINC000035432322 522683988 /nfs/dbraw/zinc/68/39/88/522683988.db2.gz KFTUSAWQCALVJI-UHFFFAOYSA-N 0 0 426.448 2.786 50 0 IFAARN COc1cc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)c(OC)cc1Cl ZINC000012891009 522710714 /nfs/dbraw/zinc/71/07/14/522710714.db2.gz YQAMLXDUQMUHRX-OAQYLSRUSA-N 0 0 429.860 2.905 50 0 IFAARN COc1cc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)c(OC)cc1Cl ZINC000012891020 522718349 /nfs/dbraw/zinc/71/83/49/522718349.db2.gz YQAMLXDUQMUHRX-NRFANRHFSA-N 0 0 429.860 2.905 50 0 IFAARN COCC(=O)N(C)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cc(OC)ccc1OC ZINC000035962758 522720808 /nfs/dbraw/zinc/72/08/08/522720808.db2.gz IESVLFMFBSZVGE-HXUWFJFHSA-N 0 0 443.475 2.625 50 0 IFAARN COCC(=O)N(C)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC ZINC000035962756 522721260 /nfs/dbraw/zinc/72/12/60/522721260.db2.gz IESVLFMFBSZVGE-FQEVSTJZSA-N 0 0 443.475 2.625 50 0 IFAARN CNc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)s1 ZINC000012764273 522725492 /nfs/dbraw/zinc/72/54/92/522725492.db2.gz KUWFTNITGUTNFB-MRVPVSSYSA-N 0 0 435.984 2.603 50 0 IFAARN COc1cc(NC(=O)c2ccc(SCCN3CCOCC3)nc2)cc(OC)c1OC ZINC000015869396 522725545 /nfs/dbraw/zinc/72/55/45/522725545.db2.gz GIPZEHPLKSRLIM-UHFFFAOYSA-N 0 0 433.530 2.784 50 0 IFAARN COCC(=O)N(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(OC)c(OC)c2)=NO1 ZINC000035835359 522732811 /nfs/dbraw/zinc/73/28/11/522732811.db2.gz HZIPXKWFPQRNLF-IBGZPJMESA-N 0 0 428.485 2.881 50 0 IFAARN COc1cc(NC(=S)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000015952100 522737626 /nfs/dbraw/zinc/73/76/26/522737626.db2.gz SMDPEVDRZSSLLG-UHFFFAOYSA-N 0 0 435.571 2.716 50 0 IFAARN CN(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1Br ZINC000022471265 522768322 /nfs/dbraw/zinc/76/83/22/522768322.db2.gz BACRJKUPCZQUER-UHFFFAOYSA-N 0 0 443.301 2.578 50 0 IFAARN COc1cc(OC)c(C2=CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)c(OC)c1 ZINC000011918372 522789963 /nfs/dbraw/zinc/78/99/63/522789963.db2.gz HGWYMSPMAGDVNG-UHFFFAOYSA-N 0 0 435.480 2.807 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000035530837 522844952 /nfs/dbraw/zinc/84/49/52/522844952.db2.gz VMBCHGIPSINTJR-UHFFFAOYSA-N 0 0 440.496 2.991 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2cccs2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020858039 522889553 /nfs/dbraw/zinc/88/95/53/522889553.db2.gz GTLGHYBNWNWHMW-HNNXBMFYSA-N 0 0 426.903 2.656 50 0 IFAARN COc1cc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1NC(C)=O ZINC000035300795 522894554 /nfs/dbraw/zinc/89/45/54/522894554.db2.gz GKRMCRBNHJORIN-RMKNXTFCSA-N 0 0 429.542 2.673 50 0 IFAARN COCc1c(C(=O)NCCc2cccnc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000012456250 522899773 /nfs/dbraw/zinc/89/97/73/522899773.db2.gz VOUFITAZSBIYOT-UHFFFAOYSA-N 0 0 440.507 2.942 50 0 IFAARN COc1cc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCCc1ccccc1 ZINC000020730773 522926060 /nfs/dbraw/zinc/92/60/60/522926060.db2.gz LZRJMGLYQFJPJE-KRWDZBQOSA-N 0 0 435.480 2.838 50 0 IFAARN CCc1noc2ncnc(N3CCC[C@@H](C(=O)NCCc4ccc(OC)c(OC)c4)C3)c12 ZINC000021881520 522928534 /nfs/dbraw/zinc/92/85/34/522928534.db2.gz JWOOEVBDPVAYQZ-MRXNPFEDSA-N 0 0 439.516 2.773 50 0 IFAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)N(C)[C@@H](C)c3ccncn3)cc2)CC1 ZINC000012438512 522943144 /nfs/dbraw/zinc/94/31/44/522943144.db2.gz IAUZZPGURFRLFZ-KRWDZBQOSA-N 0 0 426.517 2.716 50 0 IFAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@@H](CCCO)C3)cc2)CC1 ZINC000012459342 522943234 /nfs/dbraw/zinc/94/32/34/522943234.db2.gz JRWPANVLTOBKGI-IBGZPJMESA-N 0 0 432.561 2.718 50 0 IFAARN COCc1ccc(C(=O)N2CC(=O)N(Cc3cccnc3)C[C@@H](OCc3ccccc3)C2)o1 ZINC000014532611 522945550 /nfs/dbraw/zinc/94/55/50/522945550.db2.gz OMRXAXDPYFNBET-JOCHJYFZSA-N 0 0 449.507 2.891 50 0 IFAARN COC(=O)CCCC(=O)N1CCC(n2nccc2NC(=O)[C@@H](OC)c2ccccc2)CC1 ZINC000012455263 522952959 /nfs/dbraw/zinc/95/29/59/522952959.db2.gz AEVITCLHXBUSMR-QFIPXVFZSA-N 0 0 442.516 2.716 50 0 IFAARN COc1cc([C@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCCc1ccccc1 ZINC000020730776 522960332 /nfs/dbraw/zinc/96/03/32/522960332.db2.gz LZRJMGLYQFJPJE-QGZVFWFLSA-N 0 0 435.480 2.838 50 0 IFAARN COc1cc([C@H]2CN(C(=S)NC(C)C)C[C@H]2C(=O)NCC2CC2)cc(OC)c1OC ZINC000036044702 522963099 /nfs/dbraw/zinc/96/30/99/522963099.db2.gz RSXMRAGPHOSBNY-IAGOWNOFSA-N 0 0 435.590 2.537 50 0 IFAARN COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2ccc(F)cc2)C3)cc(OC)c1OC ZINC000012346588 522963410 /nfs/dbraw/zinc/96/34/10/522963410.db2.gz NNEFYICSZWEJSR-LJQANCHMSA-N 0 0 427.432 2.502 50 0 IFAARN CC[C@H]1CCCCN1C(=O)CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 ZINC000035460833 522997663 /nfs/dbraw/zinc/99/76/63/522997663.db2.gz KSMGWTMFFBQZGW-KRWDZBQOSA-N 0 0 449.573 2.713 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)c1cccc(N3CCCCS3(=O)=O)c1)CC2 ZINC000012194471 523030185 /nfs/dbraw/zinc/03/01/85/523030185.db2.gz KDKFAWGCBZKYOJ-UHFFFAOYSA-N 0 0 430.526 2.832 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCSCC3)cc(-n3cnnn3)c2)c(OC)c1OC ZINC000014954055 523095360 /nfs/dbraw/zinc/09/53/60/523095360.db2.gz PDDBMKIWDGAOKX-UHFFFAOYSA-N 0 0 441.513 2.544 50 0 IFAARN COc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)[nH]n2)cc1S(=O)(=O)N(C)C ZINC000021806364 523098550 /nfs/dbraw/zinc/09/85/50/523098550.db2.gz FVOKNKAGNFENIZ-IJEWVQPXSA-N 0 0 434.562 2.890 50 0 IFAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000012688266 523148114 /nfs/dbraw/zinc/14/81/14/523148114.db2.gz OFKKIAMETCVDLR-AWEZNQCLSA-N 0 0 441.465 2.856 50 0 IFAARN CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000022617834 523154495 /nfs/dbraw/zinc/15/44/95/523154495.db2.gz XDJNMVLNBCYPPP-UHFFFAOYSA-N 0 0 428.869 2.666 50 0 IFAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000012378222 523177908 /nfs/dbraw/zinc/17/79/08/523177908.db2.gz LOWZQHICLLYGSB-MRXNPFEDSA-N 0 0 441.509 2.776 50 0 IFAARN COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)cs2)cc1OC ZINC000012913718 523189826 /nfs/dbraw/zinc/18/98/26/523189826.db2.gz PNDZDNPFGSUBEH-GFCCVEGCSA-N 0 0 447.538 2.966 50 0 IFAARN COc1ccc(-c2nc(CN3CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC3)cs2)cc1 ZINC000012788070 523203457 /nfs/dbraw/zinc/20/34/57/523203457.db2.gz WUULLRUDXNNFHZ-HXUWFJFHSA-N 0 0 430.574 2.624 50 0 IFAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C(N)=O)CC2)cc1OC ZINC000012738816 523241463 /nfs/dbraw/zinc/24/14/63/523241463.db2.gz UENRENYWUUQXRC-UHFFFAOYSA-N 0 0 434.496 2.894 50 0 IFAARN COc1ccc(-c2nn3c(nc(CNC(=O)COc4cccc(F)c4)cc3=O)s2)cc1 ZINC000041077102 523250134 /nfs/dbraw/zinc/25/01/34/523250134.db2.gz PXULGMMRVRBLFS-UHFFFAOYSA-N 0 0 440.456 2.661 50 0 IFAARN COc1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)c(OC)c1 ZINC000015391519 523255069 /nfs/dbraw/zinc/25/50/69/523255069.db2.gz FNTXPJUVAHCFPW-UHFFFAOYSA-N 0 0 435.433 2.695 50 0 IFAARN COCc1nnc2c3ccccc3nc(N3CCCN(C(=O)Cc4cccs4)CC3)n12 ZINC000034706841 523255317 /nfs/dbraw/zinc/25/53/17/523255317.db2.gz PYDMGEPRQVAZAP-UHFFFAOYSA-N 0 0 436.541 2.767 50 0 IFAARN CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C(=O)N4CCOCC4)CC3)ccc21 ZINC000012594709 523275539 /nfs/dbraw/zinc/27/55/39/523275539.db2.gz ATGPUGFZQJGZHV-UHFFFAOYSA-N 0 0 449.555 2.823 50 0 IFAARN CCn1c2ccccc2n(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c1=O ZINC000012928999 523280260 /nfs/dbraw/zinc/28/02/60/523280260.db2.gz NTJJHVKDGRARKU-UHFFFAOYSA-N 0 0 434.418 2.939 50 0 IFAARN COc1ccc(-c2noc(CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1OC ZINC000012614085 523286159 /nfs/dbraw/zinc/28/61/59/523286159.db2.gz HYJLBGVKBLFVPN-KRWDZBQOSA-N 0 0 447.451 2.898 50 0 IFAARN COc1ccc(-c2noc(CN3CCN(C(=O)COc4ccc(F)cc4)CC3)n2)cc1 ZINC000012798861 523286279 /nfs/dbraw/zinc/28/62/79/523286279.db2.gz NCRSMUPBZQZCRP-UHFFFAOYSA-N 0 0 426.448 2.608 50 0 IFAARN CCn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)c2ccccc21 ZINC000020518843 523301509 /nfs/dbraw/zinc/30/15/09/523301509.db2.gz LYOVROZMDHMRFL-NKFKGCMQSA-N 0 0 446.551 2.881 50 0 IFAARN COc1ccc(-n2c3nc(-c4ccc(Br)cc4)nc(C(N)=O)c3[nH]c2=O)cc1 ZINC000012080836 523323350 /nfs/dbraw/zinc/32/33/50/523323350.db2.gz GXKCBGZBCWYARK-UHFFFAOYSA-N 0 0 440.257 2.646 50 0 IFAARN CCn1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccncc3)C2)cn1 ZINC000014733108 523325377 /nfs/dbraw/zinc/32/53/77/523325377.db2.gz NAVFWOXRQOXWKN-NRFANRHFSA-N 0 0 425.533 2.501 50 0 IFAARN CN(Cc1ccccc1)C(=O)CN1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2C ZINC000034792905 523327489 /nfs/dbraw/zinc/32/74/89/523327489.db2.gz QBJUYYXXFUSFJH-OAQYLSRUSA-N 0 0 438.915 2.791 50 0 IFAARN COc1ccc(-n2nc3nc(NCCN4CCOCC4)nc(-c4ccccc4)c3c2N)cc1 ZINC000035929456 523351179 /nfs/dbraw/zinc/35/11/79/523351179.db2.gz LTAFEYVTWKCDJT-UHFFFAOYSA-N 0 0 445.527 2.817 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036060080 523361483 /nfs/dbraw/zinc/36/14/83/523361483.db2.gz WSTDOACQTZNICO-MSOLQXFVSA-N 0 0 432.542 2.774 50 0 IFAARN CCn1cc(CNC(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)cn1 ZINC000014955200 523381977 /nfs/dbraw/zinc/38/19/77/523381977.db2.gz CVPGXUVDHIHTLX-UHFFFAOYSA-N 0 0 426.517 2.621 50 0 IFAARN COc1ccc(/C=C/C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)cc1 ZINC000012780483 523391873 /nfs/dbraw/zinc/39/18/73/523391873.db2.gz GOEUNOOEYPGXIV-VWMRQFFHSA-N 0 0 426.513 2.915 50 0 IFAARN COc1ccc(C=CC(=O)Nc2ccc(C(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000033502939 523431759 /nfs/dbraw/zinc/43/17/59/523431759.db2.gz MCNFVSYGVYXPGZ-WMZJFQQLSA-N 0 0 444.509 2.571 50 0 IFAARN CN(Cc1cnn(C)c1)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O ZINC000012201656 523509667 /nfs/dbraw/zinc/50/96/67/523509667.db2.gz QXDBUUVYNQEYOP-RUZDIDTESA-N 0 0 430.508 2.762 50 0 IFAARN CN(Cc1cnn(C)c1)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O ZINC000012201648 523510343 /nfs/dbraw/zinc/51/03/43/523510343.db2.gz QXDBUUVYNQEYOP-VWLOTQADSA-N 0 0 430.508 2.762 50 0 IFAARN CN(Cc1cnn(C)c1)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000024474406 523510652 /nfs/dbraw/zinc/51/06/52/523510652.db2.gz IIMRLYQIQYDMHN-UHFFFAOYSA-N 0 0 445.372 2.786 50 0 IFAARN CCn1ccnc1CN(C)Cc1cnc(S(=O)(=O)C2CCCCCC2)n1CCOC ZINC000012301100 523524402 /nfs/dbraw/zinc/52/44/02/523524402.db2.gz PUSWUZWMZSJWQH-UHFFFAOYSA-N 0 0 437.610 2.874 50 0 IFAARN COc1ccc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011913829 523614989 /nfs/dbraw/zinc/61/49/89/523614989.db2.gz IJWXYZWYOOVUIL-CYBMUJFWSA-N 0 0 428.304 2.880 50 0 IFAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1OC ZINC000012746383 523650690 /nfs/dbraw/zinc/65/06/90/523650690.db2.gz FJIUZUZHFXRAHH-UHFFFAOYSA-N 0 0 444.553 2.729 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(C)cc1)C(=O)COC ZINC000035946536 523652996 /nfs/dbraw/zinc/65/29/96/523652996.db2.gz MLJXDFXYUMGEMM-LJQANCHMSA-N 0 0 429.542 2.856 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F)C(=O)COC ZINC000035946754 523653382 /nfs/dbraw/zinc/65/33/82/523653382.db2.gz VXSNYIGLDUTMPM-GOSISDBHSA-N 0 0 433.505 2.686 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000035948438 523653441 /nfs/dbraw/zinc/65/34/41/523653441.db2.gz LDVXLSLXGKGZGE-GOSISDBHSA-N 0 0 445.541 2.556 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cccc(F)c1 ZINC000035374080 523671372 /nfs/dbraw/zinc/67/13/72/523671372.db2.gz XOZKPMZLQHWYTK-UHFFFAOYSA-N 0 0 435.459 2.514 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1cccc(Cl)c1 ZINC000035374233 523671625 /nfs/dbraw/zinc/67/16/25/523671625.db2.gz AYBXIAOSQONVPD-UHFFFAOYSA-N 0 0 441.875 2.621 50 0 IFAARN COCCN(CCC(=O)NCc1ccco1)C(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000035992941 523691688 /nfs/dbraw/zinc/69/16/88/523691688.db2.gz ZYHRZFQKISHYQI-UHFFFAOYSA-N 0 0 427.457 2.738 50 0 IFAARN CCc1c(C)nc(-n2nc(C3CC3)cc2NC(=O)Cc2ccc(OC)c(OC)c2)[nH]c1=O ZINC000012128016 523710834 /nfs/dbraw/zinc/71/08/34/523710834.db2.gz DJBVSZCAILQLFA-UHFFFAOYSA-N 0 0 437.500 2.902 50 0 IFAARN COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012549382 523755989 /nfs/dbraw/zinc/75/59/89/523755989.db2.gz RMWKUVANUZHDGX-KDURUIRLSA-N 0 0 446.569 2.773 50 0 IFAARN COc1ccc(C(=O)OCc2cn3cccc(C)c3n2)cc1S(=O)(=O)N1CCCC1 ZINC000012804851 523771915 /nfs/dbraw/zinc/77/19/15/523771915.db2.gz MCWJBIIEJVAWRX-UHFFFAOYSA-N 0 0 429.498 2.793 50 0 IFAARN COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCCNc1cc(-n2ccnc2C)ncn1 ZINC000035598109 523786664 /nfs/dbraw/zinc/78/66/64/523786664.db2.gz WKTRSNOWSRTWJO-UHFFFAOYSA-N 0 0 444.561 2.667 50 0 IFAARN COc1ccc(C)cc1CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000014850130 523804767 /nfs/dbraw/zinc/80/47/67/523804767.db2.gz CZHOJHOLNFRNCN-IAGOWNOFSA-N 0 0 432.542 2.983 50 0 IFAARN COCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CCN(C(=O)CCC(C)C)CC2)C1=O ZINC000014880522 523805854 /nfs/dbraw/zinc/80/58/54/523805854.db2.gz QKSIRXCXXVRPST-XMMPIXPASA-N 0 0 447.551 2.980 50 0 IFAARN COc1ccc(C)cc1CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)CC1 ZINC000022790315 523810623 /nfs/dbraw/zinc/81/06/23/523810623.db2.gz MZQGDUOQDYHGDH-IBGZPJMESA-N 0 0 436.556 2.885 50 0 IFAARN COCCN1C(=O)c2oc3ccccc3c2OC[C@@]1(C)C(=O)NCc1ccccc1OC ZINC000033265442 523810781 /nfs/dbraw/zinc/81/07/81/523810781.db2.gz YIKQCIAXHLLAPS-DEOSSOPVSA-N 0 0 438.480 2.998 50 0 IFAARN COCCN1CCN(C(=O)c2cnn(-c3nccc(-c4cc5ccccc5o4)n3)c2C)CC1 ZINC000020998804 523854390 /nfs/dbraw/zinc/85/43/90/523854390.db2.gz FEJODTXMFHOENY-UHFFFAOYSA-N 0 0 446.511 2.788 50 0 IFAARN CCc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3[NH2+]CCc4c5cc(OC)ccc5[nH]c43)c2=O)cc1 ZINC000020610580 523866053 /nfs/dbraw/zinc/86/60/53/523866053.db2.gz SWBSFAZGZOBWPV-OAQYLSRUSA-N 0 0 432.480 2.519 50 0 IFAARN CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000012763807 523870973 /nfs/dbraw/zinc/87/09/73/523870973.db2.gz YJHRHTADPFEIBD-HSZRJFAPSA-N 0 0 441.597 2.919 50 0 IFAARN COc1ccc(C2=C(C)C(=O)N(CC(=O)N[C@H](C)CCc3ccccc3)S2(=O)=O)cc1 ZINC000035534638 523872351 /nfs/dbraw/zinc/87/23/51/523872351.db2.gz WNNOMNDWNPXUPV-MRXNPFEDSA-N 0 0 442.537 2.736 50 0 IFAARN COc1ccc(C2=NC3(CCN(S(=O)(=O)c4cc(Cl)ccc4C)CC3)NC2=O)cc1 ZINC000035445322 523875466 /nfs/dbraw/zinc/87/54/66/523875466.db2.gz YANYSPUFGODIMY-UHFFFAOYSA-N 0 0 447.944 2.757 50 0 IFAARN COCCNC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000020561642 523899210 /nfs/dbraw/zinc/89/92/10/523899210.db2.gz ZSNKPIYMNYZOKE-SFHVURJKSA-N 0 0 428.485 2.562 50 0 IFAARN COCCNC(=O)Cn1c(CN2CCCCC2)nc2scc(-c3cccs3)c2c1=O ZINC000012613982 523900988 /nfs/dbraw/zinc/90/09/88/523900988.db2.gz GSKQIQFAYWNJSX-UHFFFAOYSA-N 0 0 446.598 2.935 50 0 IFAARN COc1ccc(CC(=O)N[C@H](C)CCCC(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000012811874 523906409 /nfs/dbraw/zinc/90/64/09/523906409.db2.gz DWQVIPJOOAXJHN-QGZVFWFLSA-N 0 0 426.579 2.590 50 0 IFAARN COc1ccc(CC(=O)Nc2cc(C3CC3)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1OC ZINC000012129734 523907599 /nfs/dbraw/zinc/90/75/99/523907599.db2.gz FQBSLNITDWDMJY-UHFFFAOYSA-N 0 0 435.484 2.520 50 0 IFAARN COCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000021712048 523912150 /nfs/dbraw/zinc/91/21/50/523912150.db2.gz CGGNKXHCHOBTQS-IBGZPJMESA-N 0 0 429.904 2.960 50 0 IFAARN COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1c1ccc(OC)cc1OC ZINC000036059762 523912833 /nfs/dbraw/zinc/91/28/33/523912833.db2.gz GTXVYNHPMISGAS-LEWJYISDSA-N 0 0 426.513 2.631 50 0 IFAARN COCCNC(=O)c1nnc(N2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000034838687 523931205 /nfs/dbraw/zinc/93/12/05/523931205.db2.gz SLIWZPWVZQSMRN-UHFFFAOYSA-N 0 0 425.920 2.986 50 0 IFAARN CO[C@H](CNC(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1)c1cccs1 ZINC000012281399 523939984 /nfs/dbraw/zinc/93/99/84/523939984.db2.gz OSASLDCRTCFAHE-GOSISDBHSA-N 0 0 428.514 2.856 50 0 IFAARN COc1ccc(CCN2C(=O)C[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000021816911 523944570 /nfs/dbraw/zinc/94/45/70/523944570.db2.gz UHMNGRAKCJOPLF-OAQYLSRUSA-N 0 0 427.932 2.841 50 0 IFAARN COc1ccc(CCN2CNc3c(c(=O)[nH]c(=O)n3-c3ccccc3Cl)C2)cc1OC ZINC000012371303 523950410 /nfs/dbraw/zinc/95/04/10/523950410.db2.gz OOOUKJMMYXCTMJ-UHFFFAOYSA-N 0 0 442.903 2.624 50 0 IFAARN COc1ccc(CCNC(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)cc1 ZINC000035590195 523965314 /nfs/dbraw/zinc/96/53/14/523965314.db2.gz FIITVJVIBTUZGU-UHFFFAOYSA-N 0 0 447.542 2.912 50 0 IFAARN COc1ccc(CCNC(=O)[C@H]2CCCN(c3nc(C)nc4onc(C)c43)C2)cc1OC ZINC000021881304 523967383 /nfs/dbraw/zinc/96/73/83/523967383.db2.gz PGTIHILQZDRGNZ-KRWDZBQOSA-N 0 0 439.516 2.827 50 0 IFAARN CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000021111921 523969973 /nfs/dbraw/zinc/96/99/73/523969973.db2.gz YSFYVHMKVFUMIU-UHFFFAOYSA-N 0 0 441.553 2.855 50 0 IFAARN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1c2ccccc2CC[C@H]1C ZINC000021472864 523970980 /nfs/dbraw/zinc/97/09/80/523970980.db2.gz WTOKFCRPUPZXEW-CYBMUJFWSA-N 0 0 445.541 2.738 50 0 IFAARN COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1C ZINC000040131249 523971836 /nfs/dbraw/zinc/97/18/36/523971836.db2.gz CVWLAGTXUNGVHF-INIZCTEOSA-N 0 0 425.489 2.849 50 0 IFAARN CCc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NCc2ccccc2)cc1 ZINC000022715022 523974472 /nfs/dbraw/zinc/97/44/72/523974472.db2.gz IGENJXDGXGIHTL-UHFFFAOYSA-N 0 0 438.553 2.985 50 0 IFAARN CCc1ccc(NC(=S)N(CCCN2CCOCC2)C2CCN(C(C)=O)CC2)cc1 ZINC000020730912 523993081 /nfs/dbraw/zinc/99/30/81/523993081.db2.gz OPWATOHCTLYWAW-UHFFFAOYSA-N 0 0 432.634 2.981 50 0 IFAARN CCc1ccc(OC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)cc1 ZINC000021675495 524001074 /nfs/dbraw/zinc/00/10/74/524001074.db2.gz UTSAKBLUHZJZLE-UHFFFAOYSA-N 0 0 444.509 2.937 50 0 IFAARN COC(=O)c1[nH]c(C)c(C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(OC)cc2)c1C ZINC000036000884 524022233 /nfs/dbraw/zinc/02/22/33/524022233.db2.gz VGBUJYUQZPQHIN-SFHVURJKSA-N 0 0 428.485 2.931 50 0 IFAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000015942854 524022244 /nfs/dbraw/zinc/02/22/44/524022244.db2.gz OKEMWCRXMSXQIK-GASCZTMLSA-N 0 0 443.525 2.553 50 0 IFAARN COc1ccc(CN2CCCN(CC(=O)Nc3cccc(SC)c3)S2(=O)=O)cc1 ZINC000035428095 524026934 /nfs/dbraw/zinc/02/69/34/524026934.db2.gz RLUQOPDCUIXBGU-UHFFFAOYSA-N 0 0 435.571 2.808 50 0 IFAARN COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(F)cc3F)CC2)cc1F ZINC000021390470 524029870 /nfs/dbraw/zinc/02/98/70/524029870.db2.gz LMTXBNQZHQMQQG-UHFFFAOYSA-N 0 0 435.446 2.577 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2ccccc2Cl)c(F)c1 ZINC000012711616 524035076 /nfs/dbraw/zinc/03/50/76/524035076.db2.gz KFESRCLXOGAZET-HXUWFJFHSA-N 0 0 433.911 2.537 50 0 IFAARN COc1ccc(CNC(=O)CCc2c(C)n(C)c3nc(-c4ccccc4)nn3c2=O)cc1 ZINC000021807157 524048355 /nfs/dbraw/zinc/04/83/55/524048355.db2.gz RPZLJZSMLJUQPQ-UHFFFAOYSA-N 0 0 431.496 2.661 50 0 IFAARN COc1ccc(CNC(=O)CSc2ccc(S(=O)(=O)c3cccc(F)c3)nn2)cc1 ZINC000033298344 524053170 /nfs/dbraw/zinc/05/31/70/524053170.db2.gz VIBOBOPDZVVEJK-UHFFFAOYSA-N 0 0 447.513 2.866 50 0 IFAARN CNC(=O)NC(=O)CCSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(F)cc1 ZINC000012738396 524077391 /nfs/dbraw/zinc/07/73/91/524077391.db2.gz SURDIMKAGTUGHY-CQSZACIVSA-N 0 0 434.541 2.891 50 0 IFAARN CNC(=O)NC(=O)[C@H](OC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000023485306 524078229 /nfs/dbraw/zinc/07/82/29/524078229.db2.gz VSCKWKYVJALGIT-SCLBCKFNSA-N 0 0 447.488 2.626 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)N2CCCCC2)C1 ZINC000035398801 524103739 /nfs/dbraw/zinc/10/37/39/524103739.db2.gz CEALSAAQAFVRSR-KRWDZBQOSA-N 0 0 447.601 2.744 50 0 IFAARN COc1ccc(COC[C@H](O)CN2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1OC ZINC000012553561 524117601 /nfs/dbraw/zinc/11/76/01/524117601.db2.gz YBEGXPJEDNZIKW-HXUWFJFHSA-N 0 0 446.519 2.745 50 0 IFAARN Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)c1 ZINC000035452645 524134446 /nfs/dbraw/zinc/13/44/46/524134446.db2.gz NMCLUCNDFLZDDE-OAHLLOKOSA-N 0 0 431.514 2.590 50 0 IFAARN COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 ZINC000008917059 524136652 /nfs/dbraw/zinc/13/66/52/524136652.db2.gz WXKXXMIFOMGKMB-IFXJQAMLSA-N 0 0 425.462 2.534 50 0 IFAARN C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012631710 524143488 /nfs/dbraw/zinc/14/34/88/524143488.db2.gz STSYDKZAZRNIJR-MCIONIFRSA-N 0 0 434.890 2.900 50 0 IFAARN C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000023005226 524150603 /nfs/dbraw/zinc/15/06/03/524150603.db2.gz ADVXLZLJEQWCMK-INIZCTEOSA-N 0 0 428.920 2.512 50 0 IFAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1 ZINC000033021171 524155933 /nfs/dbraw/zinc/15/59/33/524155933.db2.gz DQGSGDRUHXXVML-INIZCTEOSA-N 0 0 443.525 2.674 50 0 IFAARN Cc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC(C)C)N3C(=O)c2ccccc2)c1 ZINC000035986870 524171127 /nfs/dbraw/zinc/17/11/27/524171127.db2.gz MYNMSVFNWDWZDP-JOCHJYFZSA-N 0 0 449.551 2.993 50 0 IFAARN C[C@@H](C(=O)NCC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000034801130 524176041 /nfs/dbraw/zinc/17/60/41/524176041.db2.gz WVLMSHWORAOCJW-INIZCTEOSA-N 0 0 427.998 2.731 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)c1 ZINC000012802151 524190374 /nfs/dbraw/zinc/19/03/74/524190374.db2.gz NMGPJBIDISNBJM-JOCHJYFZSA-N 0 0 445.560 2.769 50 0 IFAARN Cc1cccc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)c1 ZINC000012779515 524191581 /nfs/dbraw/zinc/19/15/81/524191581.db2.gz GRHCTCKNYIBELN-PDGQHHTCSA-N 0 0 441.484 2.717 50 0 IFAARN C[C@@H]1CCCN(C(=O)c2ccc(N3CC[NH2+]CC3)c([N-]S(=O)(=O)c3cccs3)c2)C1 ZINC000033033299 524210238 /nfs/dbraw/zinc/21/02/38/524210238.db2.gz WGJONMNWBKEKAC-MRXNPFEDSA-N 0 0 448.614 2.831 50 0 IFAARN Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000024605407 524210969 /nfs/dbraw/zinc/21/09/69/524210969.db2.gz DNFVNYPCOWYMNO-LJQANCHMSA-N 0 0 436.961 2.540 50 0 IFAARN Cc1cc(C)c(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NN3CCOCC3)no2)c(C)c1 ZINC000036015006 524211568 /nfs/dbraw/zinc/21/15/68/524211568.db2.gz UJJIQTIHPHRGNL-IBGZPJMESA-N 0 0 426.517 2.625 50 0 IFAARN COc1ccc(Cl)cc1N1CCN(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)CC1 ZINC000034668267 524216176 /nfs/dbraw/zinc/21/61/76/524216176.db2.gz QVXHDERIIBEYEP-INIZCTEOSA-N 0 0 434.924 2.568 50 0 IFAARN Cc1ccc(C2=NC3(CCN(CC(=O)Nc4ccc(F)cc4F)CC3)NC2=O)cc1C ZINC000035430757 524231066 /nfs/dbraw/zinc/23/10/66/524231066.db2.gz CXTFQPHIUFALFL-UHFFFAOYSA-N 0 0 426.467 2.931 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000021527171 524240175 /nfs/dbraw/zinc/24/01/75/524240175.db2.gz RTLRYTRXZOPMAW-GOSISDBHSA-N 0 0 427.888 2.934 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)CN1CCCN(Cc2cccc(F)c2)S1(=O)=O ZINC000035447263 524241930 /nfs/dbraw/zinc/24/19/30/524241930.db2.gz IOEQGOUIDLOKMJ-GOSISDBHSA-N 0 0 433.549 2.716 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1csc(C)n1 ZINC000033282292 524247460 /nfs/dbraw/zinc/24/74/60/524247460.db2.gz QQANNZXZDLCXDT-OAHLLOKOSA-N 0 0 443.978 2.626 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000022914516 524256626 /nfs/dbraw/zinc/25/66/26/524256626.db2.gz STVQUEHPEKRLFJ-AWEZNQCLSA-N 0 0 444.910 2.508 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)CCOc1ccccc1F ZINC000012860415 524260823 /nfs/dbraw/zinc/26/08/23/524260823.db2.gz CNAHMNJKQULHAR-KRWDZBQOSA-N 0 0 449.548 2.948 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1N1CCCCC1 ZINC000012561653 524273079 /nfs/dbraw/zinc/27/30/79/524273079.db2.gz RSLZKFNLSSWCQJ-KRWDZBQOSA-N 0 0 430.574 2.783 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000020810061 524275762 /nfs/dbraw/zinc/27/57/62/524275762.db2.gz HWAMQKQRMJNHIJ-UHFFFAOYSA-N 0 0 428.964 2.829 50 0 IFAARN COc1ccccc1-n1c(=O)n(CC(=O)N2CCCc3ccccc32)c(=O)c2cccnc21 ZINC000012371810 524298374 /nfs/dbraw/zinc/29/83/74/524298374.db2.gz ZINBTFKBGICWSI-UHFFFAOYSA-N 0 0 442.475 2.535 50 0 IFAARN COc1ccccc1-n1cnnc1SCCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000012637031 524306173 /nfs/dbraw/zinc/30/61/73/524306173.db2.gz ZBPFQOUBPUGHDX-UHFFFAOYSA-N 0 0 434.543 2.697 50 0 IFAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c(Cl)c1 ZINC000011904499 524307489 /nfs/dbraw/zinc/30/74/89/524307489.db2.gz LPYJRFFAXZZUNC-UHFFFAOYSA-N 0 0 428.919 2.824 50 0 IFAARN Cc1cccc(C2=NC3(CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)NC2=O)c1 ZINC000035432566 524334887 /nfs/dbraw/zinc/33/48/87/524334887.db2.gz GXMZCZTYJVHXIJ-UHFFFAOYSA-N 0 0 435.908 2.887 50 0 IFAARN Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000012745221 524364717 /nfs/dbraw/zinc/36/47/17/524364717.db2.gz MAFCTUWUQIBNBJ-UHFFFAOYSA-N 0 0 443.569 2.524 50 0 IFAARN COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000012016155 524402776 /nfs/dbraw/zinc/40/27/76/524402776.db2.gz ZSITWKGELQFHGY-UHFFFAOYSA-N 0 0 436.555 2.767 50 0 IFAARN Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCCC2)O3)c1 ZINC000020989716 524435681 /nfs/dbraw/zinc/43/56/81/524435681.db2.gz CRCJIQMYAZNHBK-NRFANRHFSA-N 0 0 430.526 2.626 50 0 IFAARN COc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)cc1OC ZINC000016048057 524444318 /nfs/dbraw/zinc/44/43/18/524444318.db2.gz OACPMPHDJOJOON-KRWDZBQOSA-N 0 0 426.494 2.941 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)OCC(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2=O)cc1OC ZINC000040066858 524445655 /nfs/dbraw/zinc/44/56/55/524445655.db2.gz MLEIWRVHTMYVSN-HNNXBMFYSA-N 0 0 442.468 2.630 50 0 IFAARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC)c(OC)c3)[C@@H]4C2=O)cc1 ZINC000012891489 524445772 /nfs/dbraw/zinc/44/57/72/524445772.db2.gz NKGOUZCCDHHQKG-LOCCHRAXSA-N 0 0 436.464 2.638 50 0 IFAARN COc1ccccc1CNC(=O)COCc1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000032987719 524466123 /nfs/dbraw/zinc/46/61/23/524466123.db2.gz MFSOQRWSCKEBOL-UHFFFAOYSA-N 0 0 430.461 2.771 50 0 IFAARN COc1ccc(NC(=O)C2CCN(c3nnc(N4CCCCC4=O)s3)CC2)c(OC)c1 ZINC000021028279 524473873 /nfs/dbraw/zinc/47/38/73/524473873.db2.gz DYHUYNBCCYHLCW-UHFFFAOYSA-N 0 0 445.545 2.927 50 0 IFAARN Cc1ccc(CN2C[C@@H](C(=O)NCC(=O)Nc3ccccc3Br)CC2=O)cc1 ZINC000012762316 524476438 /nfs/dbraw/zinc/47/64/38/524476438.db2.gz ODWRTNFRKDTFHS-INIZCTEOSA-N 0 0 444.329 2.861 50 0 IFAARN COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1OC ZINC000020510312 524482086 /nfs/dbraw/zinc/48/20/86/524482086.db2.gz CPOFMVJWVQDVPH-UHFFFAOYSA-N 0 0 436.511 2.551 50 0 IFAARN Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nn2)n1 ZINC000021774205 524489958 /nfs/dbraw/zinc/48/99/58/524489958.db2.gz JUOVADJNKAJKND-UHFFFAOYSA-N 0 0 448.552 2.943 50 0 IFAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)o1 ZINC000021532310 524496000 /nfs/dbraw/zinc/49/60/00/524496000.db2.gz YFIWQZQCKBXXHH-UHFFFAOYSA-N 0 0 445.541 2.580 50 0 IFAARN COc1ccccc1Cn1c(=O)c2cccnc2n(CC(=O)Nc2ccc(C)cc2C)c1=O ZINC000020861195 524517797 /nfs/dbraw/zinc/51/77/97/524517797.db2.gz MEVSTXQDEORKNX-UHFFFAOYSA-N 0 0 444.491 2.871 50 0 IFAARN COc1ccccc1Cn1c(=O)c2cccnc2n(CC(=O)Nc2cc(C)ccc2C)c1=O ZINC000020861209 524518581 /nfs/dbraw/zinc/51/85/81/524518581.db2.gz IHZFKJBCQIBWNX-UHFFFAOYSA-N 0 0 444.491 2.871 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(OCc3ccccc3F)c(=O)cc2CO)c(OC)c1 ZINC000012230940 524530846 /nfs/dbraw/zinc/53/08/46/524530846.db2.gz SMKOLQVQWRMKME-UHFFFAOYSA-N 0 0 442.443 2.715 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccccc4C)c3c2=O)cc1OC ZINC000012228515 524533325 /nfs/dbraw/zinc/53/33/25/524533325.db2.gz YYZAPRSFLIDWJT-UHFFFAOYSA-N 0 0 433.468 2.855 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(N4CCCCC4)nc4ccccc4n3c2=O)cc1 ZINC000035425437 524534705 /nfs/dbraw/zinc/53/47/05/524534705.db2.gz DKDPEKJABZFCCC-UHFFFAOYSA-N 0 0 432.484 2.682 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4nsnc43)CC2)c1C ZINC000020848211 524545042 /nfs/dbraw/zinc/54/50/42/524545042.db2.gz OCQNMYFHWZJUNU-UHFFFAOYSA-N 0 0 444.582 2.821 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)CC2)c1 ZINC000021965565 524545109 /nfs/dbraw/zinc/54/51/09/524545109.db2.gz GORWZXYMMZQPOG-HOYKHHGWSA-N 0 0 426.561 2.780 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CCn2nc(-c3ccc(C)cc3)ccc2=O)CC1 ZINC000041252830 524545993 /nfs/dbraw/zinc/54/59/93/524545993.db2.gz MZCDSNZCVGIQLN-UHFFFAOYSA-N 0 0 432.524 2.966 50 0 IFAARN Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1C ZINC000012919863 524588343 /nfs/dbraw/zinc/58/83/43/524588343.db2.gz KHFVGABZDRFFDD-OAHLLOKOSA-N 0 0 429.542 2.725 50 0 IFAARN COc1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012734326 524604880 /nfs/dbraw/zinc/60/48/80/524604880.db2.gz IUQWDPCQRICSJX-KRWDZBQOSA-N 0 0 443.569 2.517 50 0 IFAARN COc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012881399 524619379 /nfs/dbraw/zinc/61/93/79/524619379.db2.gz DDPUUJZEVWKGHM-QGZVFWFLSA-N 0 0 443.569 2.517 50 0 IFAARN COc1ccc(NC(=O)c2cc(C)nc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000012549678 524624401 /nfs/dbraw/zinc/62/44/01/524624401.db2.gz WTFBFKCOMSKLMM-UHFFFAOYSA-N 0 0 441.509 2.825 50 0 IFAARN COc1ccc(NC(=O)c2ccc3ncsc3c2)cc1S(=O)(=O)N1CCOCC1 ZINC000012540333 524639703 /nfs/dbraw/zinc/63/97/03/524639703.db2.gz MMNHDCJURFVJPL-UHFFFAOYSA-N 0 0 433.511 2.578 50 0 IFAARN COc1ccc(NC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)cc1S(=O)(=O)N1CCOCC1 ZINC000012568023 524642792 /nfs/dbraw/zinc/64/27/92/524642792.db2.gz NLQPETYCJIQZLU-CABCVRRESA-N 0 0 446.525 2.853 50 0 IFAARN C[C@@H](CNC(=O)Cn1c2cccnc2n(Cc2ccccc2)c(=O)c1=O)c1ccccc1 ZINC000035450072 524660242 /nfs/dbraw/zinc/66/02/42/524660242.db2.gz AQCLUBPKZKIXNI-SFHVURJKSA-N 0 0 428.492 2.526 50 0 IFAARN C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)O1 ZINC000035590509 524677761 /nfs/dbraw/zinc/67/77/61/524677761.db2.gz GFSZOSHYKVOEGF-HOTGVXAUSA-N 0 0 447.499 2.525 50 0 IFAARN COc1ccccc1OC[C@@H]1CN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)CCO1 ZINC000022641971 524681308 /nfs/dbraw/zinc/68/13/08/524681308.db2.gz WGCKPDPTJGRVBO-KRWDZBQOSA-N 0 0 431.485 2.570 50 0 IFAARN Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n(N)c2=O)cc1 ZINC000012347752 524695506 /nfs/dbraw/zinc/69/55/06/524695506.db2.gz GFYGSZAQEVGXEV-UHFFFAOYSA-N 0 0 429.933 2.944 50 0 IFAARN Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n(N)c2=O)cc1 ZINC000012348348 524695829 /nfs/dbraw/zinc/69/58/29/524695829.db2.gz GYBIBTQKYRSQGN-UHFFFAOYSA-N 0 0 433.896 2.775 50 0 IFAARN Cc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccc1F ZINC000012879610 524720834 /nfs/dbraw/zinc/72/08/34/524720834.db2.gz UZZPRAWKYYQBKY-UHFFFAOYSA-N 0 0 448.516 2.622 50 0 IFAARN C[C@@H]1CCc2c(C(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)csc2C1 ZINC000012617276 524722445 /nfs/dbraw/zinc/72/24/45/524722445.db2.gz CNACHESXJJJCGE-CQSZACIVSA-N 0 0 428.583 2.900 50 0 IFAARN C[C@H](Cc1ccco1)NC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000033170029 524746557 /nfs/dbraw/zinc/74/65/57/524746557.db2.gz GHIVKIRNKJKJMA-OAHLLOKOSA-N 0 0 444.513 2.865 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1cccs1 ZINC000016985543 524753643 /nfs/dbraw/zinc/75/36/43/524753643.db2.gz JIDQWRHJKHJLJM-LBPRGKRZSA-N 0 0 430.935 2.949 50 0 IFAARN Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NC[C@H](C)c3ccccc3)c3cccnc32)cc1 ZINC000035450374 524761085 /nfs/dbraw/zinc/76/10/85/524761085.db2.gz AANKSNQOLBZCAZ-IBGZPJMESA-N 0 0 442.519 2.835 50 0 IFAARN Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NC[C@@H](C)c3ccccc3)c3cccnc32)cc1 ZINC000035450370 524761519 /nfs/dbraw/zinc/76/15/19/524761519.db2.gz AANKSNQOLBZCAZ-LJQANCHMSA-N 0 0 442.519 2.835 50 0 IFAARN Cc1ccc(Cn2ccn(CC(=O)Nc3ccc(Br)cc3)c(=O)c2=O)cc1 ZINC000020488641 524774397 /nfs/dbraw/zinc/77/43/97/524774397.db2.gz ALPIRYDKSMJVER-UHFFFAOYSA-N 0 0 428.286 2.768 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC3CC3)no2)c1 ZINC000036014796 524791247 /nfs/dbraw/zinc/79/12/47/524791247.db2.gz MNUZMLCGILHDHA-IBGZPJMESA-N 0 0 435.480 2.979 50 0 IFAARN COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N[C@H]4CCOC4)c3C3CC3)n2)c1 ZINC000012213519 524794288 /nfs/dbraw/zinc/79/42/88/524794288.db2.gz RSVJFTKYRLKKKG-HNNXBMFYSA-N 0 0 435.484 2.743 50 0 IFAARN C[C@@H]1CN(C(=O)Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)C[C@H](C)O1 ZINC000022767989 524801644 /nfs/dbraw/zinc/80/16/44/524801644.db2.gz VKKSFYXICDLINX-OKILXGFUSA-N 0 0 441.919 2.749 50 0 IFAARN COc1ccc(OC)c(CNC(=O)Cn2c(=O)c3ccccc3nc2N2CCCCC2)c1 ZINC000033308574 524829812 /nfs/dbraw/zinc/82/98/12/524829812.db2.gz IGCNMZIJOZQXII-UHFFFAOYSA-N 0 0 436.512 2.720 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)c1 ZINC000009665178 524850462 /nfs/dbraw/zinc/85/04/62/524850462.db2.gz KAMCIDSLCBLAKN-OAQYLSRUSA-N 0 0 449.410 2.711 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3cc(Cl)ccc3C)c2N)c1 ZINC000020575015 524867446 /nfs/dbraw/zinc/86/74/46/524867446.db2.gz QFBLCLSPMDAGET-UHFFFAOYSA-N 0 0 444.879 2.730 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc43)CC2)c1 ZINC000012795283 524875791 /nfs/dbraw/zinc/87/57/91/524875791.db2.gz WBANSQOOKFFYCT-UHFFFAOYSA-N 0 0 443.525 2.640 50 0 IFAARN Cc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1Cl ZINC000001139826 524892915 /nfs/dbraw/zinc/89/29/15/524892915.db2.gz HJIDRRLQKVJHII-UHFFFAOYSA-N 0 0 439.940 2.902 50 0 IFAARN Cc1cc(Cl)ccc1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000035451981 524893102 /nfs/dbraw/zinc/89/31/02/524893102.db2.gz YRURTZKIBXSFKM-UHFFFAOYSA-N 0 0 437.905 2.547 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1 ZINC000015828905 524896571 /nfs/dbraw/zinc/89/65/71/524896571.db2.gz HTVUCCWEYTYJOV-KRWDZBQOSA-N 0 0 444.484 2.562 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 ZINC000012893993 524912181 /nfs/dbraw/zinc/91/21/81/524912181.db2.gz UWTPQYVWRGTCAD-NTKDMRAZSA-N 0 0 437.496 2.835 50 0 IFAARN COc1ccc(OCC(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000035530834 524928683 /nfs/dbraw/zinc/92/86/83/524928683.db2.gz KQLYSRYSGFUTRM-UHFFFAOYSA-N 0 0 440.496 2.748 50 0 IFAARN C[C@H](NC(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000022802241 524952934 /nfs/dbraw/zinc/95/29/34/524952934.db2.gz FKNDOFYQBWGCHH-NRFANRHFSA-N 0 0 444.579 2.951 50 0 IFAARN C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000017285146 524954325 /nfs/dbraw/zinc/95/43/25/524954325.db2.gz KNFDXJLEBQFKHJ-IBGZPJMESA-N 0 0 441.597 2.749 50 0 IFAARN C[C@@H]1CN(CCNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)C[C@H](C)O1 ZINC000022612516 524956448 /nfs/dbraw/zinc/95/64/48/524956448.db2.gz BUDNHVUYODFQOG-KJPNRUOZSA-N 0 0 443.569 2.938 50 0 IFAARN C[C@H](NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1)C12CC3CC(CC(C3)C1)C2 ZINC000016050699 524966310 /nfs/dbraw/zinc/96/63/10/524966310.db2.gz QSKRVUNJERYGKA-HIGJEIRPSA-N 0 0 434.558 2.936 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)NCc3ccc4c(c3)OCO4)ccc2N1C(=O)C1CCC1 ZINC000021871038 524981084 /nfs/dbraw/zinc/98/10/84/524981084.db2.gz HHKIYZAQDZKKEW-AWEZNQCLSA-N 0 0 428.510 2.972 50 0 IFAARN Cc1cc(F)ccc1NC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(C)C2=O ZINC000021874969 524996551 /nfs/dbraw/zinc/99/65/51/524996551.db2.gz NHPPVSNZOLDNBO-QHCPKHFHSA-N 0 0 441.507 2.876 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000012767872 525000183 /nfs/dbraw/zinc/00/01/83/525000183.db2.gz XGKGUYCXGVWECS-UHFFFAOYSA-N 0 0 426.878 2.622 50 0 IFAARN C[C@H]1NC2(CCN(C(=O)c3ccc(F)cc3)CC2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000036024148 525007392 /nfs/dbraw/zinc/00/73/92/525007392.db2.gz OLSQMDLJFDQFLD-OAHLLOKOSA-N 0 0 425.460 2.507 50 0 IFAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000021112285 525037671 /nfs/dbraw/zinc/03/76/71/525037671.db2.gz YELHLQDCAAMPBQ-UHFFFAOYSA-N 0 0 427.526 2.601 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000035483311 525041856 /nfs/dbraw/zinc/04/18/56/525041856.db2.gz RTQBNSZTRQIADI-UHFFFAOYSA-N 0 0 434.949 2.531 50 0 IFAARN Cc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1I ZINC000012797878 525041978 /nfs/dbraw/zinc/04/19/78/525041978.db2.gz CNCHZNANNXBFER-UHFFFAOYSA-N 0 0 449.248 2.632 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)c(C)c1 ZINC000035452658 525044474 /nfs/dbraw/zinc/04/44/74/525044474.db2.gz OGXJMUHFRLLSIG-OAHLLOKOSA-N 0 0 431.514 2.590 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1C ZINC000020487039 525046308 /nfs/dbraw/zinc/04/63/08/525046308.db2.gz CDOIKGUTXDGTGD-UHFFFAOYSA-N 0 0 429.542 2.817 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCCC2)c(OC)c1 ZINC000012197439 525063758 /nfs/dbraw/zinc/06/37/58/525063758.db2.gz NYPGQAJQPFEYTJ-QGZVFWFLSA-N 0 0 434.514 2.548 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1F ZINC000022000823 525064541 /nfs/dbraw/zinc/06/45/41/525064541.db2.gz WSRBSKXUMKSWGG-WHEQGISXSA-N 0 0 433.480 2.753 50 0 IFAARN C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)C1=O ZINC000058158182 525067258 /nfs/dbraw/zinc/06/72/58/525067258.db2.gz HEFDHHZHZVXYFZ-MRXNPFEDSA-N 0 0 436.512 2.531 50 0 IFAARN C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cc(-c3ccccc3)on2)C[C@@H](C)O1 ZINC000035590510 525075340 /nfs/dbraw/zinc/07/53/40/525075340.db2.gz GFSZOSHYKVOEGF-HZPDHXFCSA-N 0 0 447.499 2.525 50 0 IFAARN C[C@@H](NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc2c(c1)OCCO2 ZINC000012569100 525095637 /nfs/dbraw/zinc/09/56/37/525095637.db2.gz GHXPKBUCSXBAKB-OAHLLOKOSA-N 0 0 445.479 2.690 50 0 IFAARN C[C@@H](NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000022812130 525104517 /nfs/dbraw/zinc/10/45/17/525104517.db2.gz YQMIBMWGRBBANT-LJQANCHMSA-N 0 0 428.621 2.665 50 0 IFAARN Cc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)c(Br)c1 ZINC000015766731 525106053 /nfs/dbraw/zinc/10/60/53/525106053.db2.gz VRNGDMOMLYXZSL-UHFFFAOYSA-N 0 0 441.351 2.767 50 0 IFAARN Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(SC(F)(F)F)cc3)CC2)no1 ZINC000012743077 525140402 /nfs/dbraw/zinc/14/04/02/525140402.db2.gz WWFGWMVNZRUAIZ-UHFFFAOYSA-N 0 0 428.436 2.991 50 0 IFAARN Cc1ccccc1CN1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC1 ZINC000022818459 525144392 /nfs/dbraw/zinc/14/43/92/525144392.db2.gz AFKXSASWHKJTJF-UHFFFAOYSA-N 0 0 428.964 2.863 50 0 IFAARN Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nnc(SCC(N)=O)s2)c(C)c1 ZINC000022762119 525151103 /nfs/dbraw/zinc/15/11/03/525151103.db2.gz ALQFBAQAYQHPDW-SNVBAGLBSA-N 0 0 425.561 2.561 50 0 IFAARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)C1 ZINC000035586470 525168992 /nfs/dbraw/zinc/16/89/92/525168992.db2.gz SAFNFZZGUOGAOJ-ZETCQYMHSA-N 0 0 425.319 2.715 50 0 IFAARN COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)N2CCOCC2)cc1 ZINC000023107541 525178655 /nfs/dbraw/zinc/17/86/55/525178655.db2.gz KVPOBPHQPOZIEW-HXUWFJFHSA-N 0 0 431.920 2.785 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012698326 525193099 /nfs/dbraw/zinc/19/30/99/525193099.db2.gz NOBMKDJJIGOQND-MRXNPFEDSA-N 0 0 433.530 2.910 50 0 IFAARN COc1ccc([C@@H](NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c2ccccc2)cc1 ZINC000012817766 525193599 /nfs/dbraw/zinc/19/35/99/525193599.db2.gz NNSHEIKYVQUMOL-QHCPKHFHSA-N 0 0 429.476 2.994 50 0 IFAARN Cc1ccccc1N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(C)(=O)=O ZINC000021843124 525217304 /nfs/dbraw/zinc/21/73/04/525217304.db2.gz NSUWXUJNZPQJPV-XYOKQWHBSA-N 0 0 427.570 2.619 50 0 IFAARN CS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCCc3ccccc3)C2)cc1 ZINC000021707000 525217824 /nfs/dbraw/zinc/21/78/24/525217824.db2.gz DUNUQXATKNGMCR-HXUWFJFHSA-N 0 0 443.569 2.659 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000022285343 525243952 /nfs/dbraw/zinc/24/39/52/525243952.db2.gz JYZTWGJDXDYMDD-NRFANRHFSA-N 0 0 430.526 2.930 50 0 IFAARN Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(CC(=O)NC4CC4)CC3)s2)cc1 ZINC000033024834 525258903 /nfs/dbraw/zinc/25/89/03/525258903.db2.gz QRFCKSPQSKEMAK-UHFFFAOYSA-N 0 0 427.530 2.620 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)cc1C ZINC000012604784 525300084 /nfs/dbraw/zinc/30/00/84/525300084.db2.gz IBDBZMOUWHDFIW-UHFFFAOYSA-N 0 0 445.585 2.945 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCN3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000022612344 525305849 /nfs/dbraw/zinc/30/58/49/525305849.db2.gz KATQBGIUSQRNRM-QZTJIDSGSA-N 0 0 431.558 2.635 50 0 IFAARN Cc1cc(OC(F)F)ccc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000035395534 525357240 /nfs/dbraw/zinc/35/72/40/525357240.db2.gz KUZJMJJQHNBENR-UHFFFAOYSA-N 0 0 439.484 2.541 50 0 IFAARN COc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)nc2)N2CCOCC2)cc1OC ZINC000021199955 525359194 /nfs/dbraw/zinc/35/91/94/525359194.db2.gz HBYRENQBFOIKFA-INIZCTEOSA-N 0 0 439.434 2.921 50 0 IFAARN COc1ccc([C@H](NS(C)(=O)=O)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000012371242 525373301 /nfs/dbraw/zinc/37/33/01/525373301.db2.gz RZWNYZVIUAKMDP-FQEVSTJZSA-N 0 0 432.498 2.908 50 0 IFAARN COc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C(=O)NCC(C)C)c(OC)c1 ZINC000036060882 525422906 /nfs/dbraw/zinc/42/29/06/525422906.db2.gz LJQPQXVJRNWJDJ-NHCUHLMSSA-N 0 0 446.569 2.880 50 0 IFAARN Cc1[nH]c2ccc(C(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)cc2c1C ZINC000012886444 525425452 /nfs/dbraw/zinc/42/54/52/525425452.db2.gz FCMHRCLKCWPVGK-UHFFFAOYSA-N 0 0 427.526 2.736 50 0 IFAARN Cc1ccccc1[C@]1(CC(=O)N2CCCC[C@H]2CO)CC(=O)N(Cc2ccccc2)C1=O ZINC000011909151 525448418 /nfs/dbraw/zinc/44/84/18/525448418.db2.gz QYPRADZMHSPECT-LVXARBLLSA-N 0 0 434.536 2.955 50 0 IFAARN COc1ccc2c(CCNC(=O)CSc3nnnn3-c3ccccc3F)c[nH]c2c1 ZINC000012274208 525501433 /nfs/dbraw/zinc/50/14/33/525501433.db2.gz RZGBAARZUHZQCX-UHFFFAOYSA-N 0 0 426.477 2.742 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000015987240 525520633 /nfs/dbraw/zinc/52/06/33/525520633.db2.gz COEJPLOFJHFKOC-MRXNPFEDSA-N 0 0 447.532 2.678 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)N(C)C3CCCCC3)ccc2N1C(=O)C1CC1 ZINC000020529765 525522118 /nfs/dbraw/zinc/52/21/18/525522118.db2.gz HQDYNFQLNNEFLL-MRXNPFEDSA-N 0 0 447.601 2.834 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c(Cl)c1 ZINC000012924831 525522380 /nfs/dbraw/zinc/52/23/80/525522380.db2.gz KJGHYDMALCBJJE-UHFFFAOYSA-N 0 0 434.992 2.842 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)NCCc3cccs3)CC2)cc1 ZINC000012693823 525528462 /nfs/dbraw/zinc/52/84/62/525528462.db2.gz KLGPSTSQUQRWQZ-GOSISDBHSA-N 0 0 435.615 2.500 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)s1 ZINC000012769291 525530936 /nfs/dbraw/zinc/53/09/36/525530936.db2.gz GBRXDJKCHIJMSM-HXUWFJFHSA-N 0 0 447.626 2.802 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000024937827 525533288 /nfs/dbraw/zinc/53/32/88/525533288.db2.gz GMRXBGHUNRRTGO-QGZVFWFLSA-N 0 0 449.598 2.890 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000017960730 525537656 /nfs/dbraw/zinc/53/76/56/525537656.db2.gz ZVCNZTRSKBVGLC-FQEVSTJZSA-N 0 0 443.569 2.828 50 0 IFAARN C[C@@H]1Cn2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)c3c(Cl)ccc(c32)O1 ZINC000020532010 525541759 /nfs/dbraw/zinc/54/17/59/525541759.db2.gz PMVYXWOAVZMNTL-CYBMUJFWSA-N 0 0 441.871 2.627 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c(=S)n3-c3ccccc3)CC2)cc1 ZINC000012517605 525542269 /nfs/dbraw/zinc/54/22/69/525542269.db2.gz YQSPPMVFIMPJJY-UHFFFAOYSA-N 0 0 442.566 2.990 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 ZINC000017100726 525543066 /nfs/dbraw/zinc/54/30/66/525543066.db2.gz MDCYCSAOSYQEBX-UHFFFAOYSA-N 0 0 436.599 2.924 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccnc3Cl)CC2)c(C)c1 ZINC000014921499 525543119 /nfs/dbraw/zinc/54/31/19/525543119.db2.gz IDPCXVYUBDXAAE-INIZCTEOSA-N 0 0 436.965 2.685 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 ZINC000035421718 525546822 /nfs/dbraw/zinc/54/68/22/525546822.db2.gz XNGSYTQVOGQPHW-WOJBJXKFSA-N 0 0 429.586 2.610 50 0 IFAARN Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)N[C@H]3CCCC[C@H]3C)cc1CC2 ZINC000020510572 525588030 /nfs/dbraw/zinc/58/80/30/525588030.db2.gz MYQASAHYBCFGLD-QAPCUYQASA-N 0 0 440.544 2.717 50 0 IFAARN Cc1ccn(CC(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)n1 ZINC000012759710 525593296 /nfs/dbraw/zinc/59/32/96/525593296.db2.gz QLPRPIPZMASETE-UHFFFAOYSA-N 0 0 436.516 2.659 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3C(=O)NC3CC3)cc2)cc1C ZINC000021713168 525597537 /nfs/dbraw/zinc/59/75/37/525597537.db2.gz ICGMSPBQNXXAOA-NRFANRHFSA-N 0 0 441.553 2.987 50 0 IFAARN C[C@@H]1Oc2ccccc2N(CC(=O)N(C)CC(=O)Nc2ccccc2Br)C1=O ZINC000012882867 525613831 /nfs/dbraw/zinc/61/38/31/525613831.db2.gz AFIMGEKPISPDLT-ZDUSSCGKSA-N 0 0 446.301 2.660 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N3CCCCCC3)CC1)O[C@H](C)C(=O)N2 ZINC000032958909 525614208 /nfs/dbraw/zinc/61/42/08/525614208.db2.gz AHGCTUGWHIDRSG-MRXNPFEDSA-N 0 0 449.573 2.518 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc3cccc(F)c3)C1)OCC(=O)N2 ZINC000035378776 525616040 /nfs/dbraw/zinc/61/60/40/525616040.db2.gz WBIQUPQHEPFSTC-AWEZNQCLSA-N 0 0 447.488 2.504 50 0 IFAARN COc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3cc(C)n(C)n3)sc2c1 ZINC000022768204 525667480 /nfs/dbraw/zinc/66/74/80/525667480.db2.gz YXTDLOQUUSTGKJ-UHFFFAOYSA-N 0 0 429.546 2.716 50 0 IFAARN COc1ccc2oc(=O)cc(CN3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)c2c1 ZINC000020869441 525685071 /nfs/dbraw/zinc/68/50/71/525685071.db2.gz VUGJREAYRJYZHB-UHFFFAOYSA-N 0 0 446.459 2.866 50 0 IFAARN COc1cccc(-c2cc(C(=O)N(CCC(=O)N3CCCC3)C[C@@H]3CCCO3)no2)c1 ZINC000036002503 525700251 /nfs/dbraw/zinc/70/02/51/525700251.db2.gz FPTBFVSGOSZBBF-IBGZPJMESA-N 0 0 427.501 2.984 50 0 IFAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)NCCc2ccco2)c(C)n3C)c1 ZINC000035448662 525710692 /nfs/dbraw/zinc/71/06/92/525710692.db2.gz QRNMCYSWHOOXPO-UHFFFAOYSA-N 0 0 434.496 2.902 50 0 IFAARN COc1cccc(-c2ccc(=O)n(CCC(=O)NCCc3ccc(OC)c(OC)c3)n2)c1 ZINC000041254132 525712275 /nfs/dbraw/zinc/71/22/75/525712275.db2.gz MFBXRMABFBHDGN-UHFFFAOYSA-N 0 0 437.496 2.685 50 0 IFAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1CCN1CCOCC1 ZINC000021808455 525791478 /nfs/dbraw/zinc/79/14/78/525791478.db2.gz NKMFZGYPTWSKCT-QHCPKHFHSA-N 0 0 444.601 2.698 50 0 IFAARN Cc1c(NC(=O)c2cnn3cc(Br)cnc23)c(=O)n(-c2ccccc2)n1C ZINC000012846028 525865015 /nfs/dbraw/zinc/86/50/15/525865015.db2.gz KFTSXOOQQHYBBD-UHFFFAOYSA-N 0 0 427.262 2.542 50 0 IFAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)N1CCCCCC1 ZINC000012911507 525880545 /nfs/dbraw/zinc/88/05/45/525880545.db2.gz UEGMVYDDZAQTQY-INIZCTEOSA-N 0 0 440.537 2.561 50 0 IFAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)NC1CCCCC1 ZINC000021731845 525881312 /nfs/dbraw/zinc/88/13/12/525881312.db2.gz FXQUHQMOSZJZSL-HNNXBMFYSA-N 0 0 440.537 2.607 50 0 IFAARN C[C@H](OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245228221 525881942 /nfs/dbraw/zinc/88/19/42/525881942.db2.gz KRNGJMMSVZBNAO-WWGRRREGSA-N 0 0 425.323 2.806 50 0 IFAARN Cc1c(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2ccnn2C)cnn1C(F)F ZINC000020614451 525883789 /nfs/dbraw/zinc/88/37/89/525883789.db2.gz GTPQDJTYPXBFHO-UHFFFAOYSA-N 0 0 427.452 2.893 50 0 IFAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)N1CCCCCC1 ZINC000012911501 525885876 /nfs/dbraw/zinc/88/58/76/525885876.db2.gz UEGMVYDDZAQTQY-MRXNPFEDSA-N 0 0 440.537 2.561 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O ZINC000013128388 525892398 /nfs/dbraw/zinc/89/23/98/525892398.db2.gz IZRVOGUCJWOHCI-CLOONOSVSA-N 0 0 449.507 2.809 50 0 IFAARN C[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000021499850 525893015 /nfs/dbraw/zinc/89/30/15/525893015.db2.gz BZQGJBJLEWJQQY-GFCCVEGCSA-N 0 0 432.429 2.917 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O ZINC000012510336 525893379 /nfs/dbraw/zinc/89/33/79/525893379.db2.gz OKTFBXUXRPZSHV-QFIPXVFZSA-N 0 0 442.903 2.615 50 0 IFAARN COc1cccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)c1 ZINC000012458338 525894035 /nfs/dbraw/zinc/89/40/35/525894035.db2.gz HQPMWOAZEGWEKF-XMMPIXPASA-N 0 0 431.536 2.898 50 0 IFAARN C[C@@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)N1CCCc2ccccc21 ZINC000021833299 525895891 /nfs/dbraw/zinc/89/58/91/525895891.db2.gz XLNXUZOFJJEFRM-MRXNPFEDSA-N 0 0 428.510 2.751 50 0 IFAARN COc1cccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000015952796 525904530 /nfs/dbraw/zinc/90/45/30/525904530.db2.gz PZWLHOJVJVWZBZ-KRWDZBQOSA-N 0 0 427.478 2.631 50 0 IFAARN Cc1ccc(-n2nc(N3CCCN(S(=O)(=O)c4ccccc4C)CC3)ccc2=O)cc1 ZINC000033264844 525928294 /nfs/dbraw/zinc/92/82/94/525928294.db2.gz OMFAZFYOMJCQEE-UHFFFAOYSA-N 0 0 438.553 2.750 50 0 IFAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)Nc2ccc4c(c2)OCCO4)nc3C)cc1C ZINC000012228793 525934334 /nfs/dbraw/zinc/93/43/34/525934334.db2.gz UDGNDEVCRDKELV-UHFFFAOYSA-N 0 0 445.479 2.917 50 0 IFAARN Cc1cn2c(nc(C)c(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c2=O)s1 ZINC000020921781 525939377 /nfs/dbraw/zinc/93/93/77/525939377.db2.gz GDSMAVSCGGIBNO-UHFFFAOYSA-N 0 0 432.571 2.501 50 0 IFAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(n2cc(C(=O)N3CCCC3)nn2)CC1 ZINC000012097239 525943720 /nfs/dbraw/zinc/94/37/20/525943720.db2.gz ZWMAHQUNLMDLIG-HNNXBMFYSA-N 0 0 431.924 2.799 50 0 IFAARN COc1cccc(CN2C[C@@H](OCC3CC3)CN(C(=O)CCc3ccncc3)CC2=O)c1 ZINC000014741186 525958218 /nfs/dbraw/zinc/95/82/18/525958218.db2.gz FSUOQFSFQRDWJC-HSZRJFAPSA-N 0 0 437.540 2.689 50 0 IFAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCN(CCO)CC1)occ3C(C)(C)C ZINC000020624170 525961189 /nfs/dbraw/zinc/96/11/89/525961189.db2.gz GUVOFVAGEDHLKK-UHFFFAOYSA-N 0 0 426.513 2.824 50 0 IFAARN COc1cccc(CNC(=O)CCc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)c1 ZINC000021540475 525968603 /nfs/dbraw/zinc/96/86/03/525968603.db2.gz AZWYVXGFSDHALA-UHFFFAOYSA-N 0 0 431.496 2.755 50 0 IFAARN COc1cccc(CNC(=O)Cn2cnc3c4cc(Br)ccc4[nH]c3c2=O)c1 ZINC000035423627 525978051 /nfs/dbraw/zinc/97/80/51/525978051.db2.gz ZFHJQBHJWUZLEO-UHFFFAOYSA-N 0 0 441.285 2.965 50 0 IFAARN COc1cccc(CNC(=O)Cn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c1OC ZINC000020563124 525978456 /nfs/dbraw/zinc/97/84/56/525978456.db2.gz MDSLNGABEUSEOO-UHFFFAOYSA-N 0 0 447.495 2.533 50 0 IFAARN CSc1ccc(CNC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1 ZINC000032985034 525996667 /nfs/dbraw/zinc/99/66/67/525996667.db2.gz TZRKRYWTLARMSS-UHFFFAOYSA-N 0 0 427.574 2.568 50 0 IFAARN C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000023223032 526000211 /nfs/dbraw/zinc/00/02/11/526000211.db2.gz HUUCZBYUQIUSCO-AWEZNQCLSA-N 0 0 446.554 2.549 50 0 IFAARN C[C@H](C(=O)NC1CCCCC1)N1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2C ZINC000034793060 526030747 /nfs/dbraw/zinc/03/07/47/526030747.db2.gz LXKPPTAVUKFZOZ-BFUOFWGJSA-N 0 0 430.936 2.970 50 0 IFAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)cc3N2)cc1 ZINC000012468203 526036051 /nfs/dbraw/zinc/03/60/51/526036051.db2.gz KYRGRLBASAZZSZ-SJLPKXTDSA-N 0 0 437.466 2.914 50 0 IFAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCN(C(=O)C4CC4)CC3)C2=O)cc1C ZINC000012681858 526053789 /nfs/dbraw/zinc/05/37/89/526053789.db2.gz VKWWBVBBIPUAPK-SANMLTNESA-N 0 0 446.551 2.611 50 0 IFAARN C[C@@H](c1ccccc1)N1C(=O)[C@@H](C)NC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000036027172 526091404 /nfs/dbraw/zinc/09/14/04/526091404.db2.gz YHBCYEZYWQKPBP-SJORKVTESA-N 0 0 431.533 2.888 50 0 IFAARN C[C@H](c1ccccc1)N1C(=O)[C@@H](C)NC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000036027174 526096816 /nfs/dbraw/zinc/09/68/16/526096816.db2.gz YHBCYEZYWQKPBP-IAGOWNOFSA-N 0 0 431.533 2.888 50 0 IFAARN CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000021532182 526112034 /nfs/dbraw/zinc/11/20/34/526112034.db2.gz FFYBOOWYXXBEPL-UHFFFAOYSA-N 0 0 433.555 2.943 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)nn1-c1ccccc1 ZINC000022302937 526132925 /nfs/dbraw/zinc/13/29/25/526132925.db2.gz TZOGYXYGNDGCCW-IYBDPMFKSA-N 0 0 439.541 2.859 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nn1-c1ccccc1F ZINC000015586289 526133391 /nfs/dbraw/zinc/13/33/91/526133391.db2.gz BCXBFZMPWNSSLL-UHFFFAOYSA-N 0 0 435.864 2.989 50 0 IFAARN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1N1CCCCC1 ZINC000012554633 526145833 /nfs/dbraw/zinc/14/58/33/526145833.db2.gz BYDDFSGUCGCCTB-QGZVFWFLSA-N 0 0 430.574 2.783 50 0 IFAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)ccc12 ZINC000012296310 526147795 /nfs/dbraw/zinc/14/77/95/526147795.db2.gz HUTWVQWLANZGSN-INIZCTEOSA-N 0 0 447.491 2.825 50 0 IFAARN Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000012773063 526157458 /nfs/dbraw/zinc/15/74/58/526157458.db2.gz ABAPSNDFSUJOPA-UHFFFAOYSA-N 0 0 438.665 2.958 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O ZINC000012800041 526166437 /nfs/dbraw/zinc/16/64/37/526166437.db2.gz LKVXSMHXCQNTCR-UHFFFAOYSA-N 0 0 435.322 2.557 50 0 IFAARN COc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1 ZINC000016960381 526166819 /nfs/dbraw/zinc/16/68/19/526166819.db2.gz JWNOCTGSLGNXBZ-UHFFFAOYSA-N 0 0 439.472 2.903 50 0 IFAARN COc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 ZINC000035442908 526175683 /nfs/dbraw/zinc/17/56/83/526175683.db2.gz YUCRWFNHSPAFNJ-UHFFFAOYSA-N 0 0 431.558 2.764 50 0 IFAARN C[C@@H](c1nnc(SCC(=O)N2CCc3ccccc32)n1C)N1C(=O)COc2ccccc21 ZINC000015019111 526182789 /nfs/dbraw/zinc/18/27/89/526182789.db2.gz MWVVZNAJONNUJO-HNNXBMFYSA-N 0 0 449.536 2.983 50 0 IFAARN Cc1cc(C(=O)CSc2nc(=O)n([C@H]3CCS(=O)(=O)C3)c3c2CCC3)ccc1F ZINC000021800776 526214091 /nfs/dbraw/zinc/21/40/91/526214091.db2.gz BJKUHIWAYMULRF-AWEZNQCLSA-N 0 0 436.530 2.514 50 0 IFAARN Cc1cc(C(=O)CSc2nc(=O)n([C@@H]3CCS(=O)(=O)C3)c3c2CCC3)ccc1F ZINC000021800773 526214357 /nfs/dbraw/zinc/21/43/57/526214357.db2.gz BJKUHIWAYMULRF-CQSZACIVSA-N 0 0 436.530 2.514 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(Cc2ccccc2F)n1N ZINC000021108807 526218971 /nfs/dbraw/zinc/21/89/71/526218971.db2.gz DNODSUOMZKZAPJ-CYBMUJFWSA-N 0 0 440.504 2.578 50 0 IFAARN CSc1nn(CN2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c(=S)s1 ZINC000012869922 526225792 /nfs/dbraw/zinc/22/57/92/526225792.db2.gz OEKNIBAVSZIDCJ-UHFFFAOYSA-N 0 0 430.646 2.977 50 0 IFAARN Cc1ccc(C(=O)Nc2cnn(-c3ccc(C(=O)NC[C@H]4COCCO4)cc3)c2)c(C)c1 ZINC000012150476 526228680 /nfs/dbraw/zinc/22/86/80/526228680.db2.gz GAUFWFSIFBDUHG-NRFANRHFSA-N 0 0 434.496 2.887 50 0 IFAARN Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3ccc(F)cc3Cl)c(=O)n(C)c2n1 ZINC000012445586 526242924 /nfs/dbraw/zinc/24/29/24/526242924.db2.gz RPSWPAMROUGIML-UHFFFAOYSA-N 0 0 444.894 2.871 50 0 IFAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)NCC2(N3CCOCC3)CCCCC2)c1 ZINC000022090806 526257825 /nfs/dbraw/zinc/25/78/25/526257825.db2.gz RLEYSZQGYKCNCG-UHFFFAOYSA-N 0 0 444.605 2.523 50 0 IFAARN O=C(NCCCc1ccccc1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000033292258 526279052 /nfs/dbraw/zinc/27/90/52/526279052.db2.gz DBMDWTXXRCARSD-UHFFFAOYSA-N 0 0 440.525 2.884 50 0 IFAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)N3CCN(CC(=O)N(C)C)CC3)cc12 ZINC000035344075 526289251 /nfs/dbraw/zinc/28/92/51/526289251.db2.gz VMFDSGWHWAHFDN-UHFFFAOYSA-N 0 0 439.585 2.609 50 0 IFAARN O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)cnc1N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000035397825 526354572 /nfs/dbraw/zinc/35/45/72/526354572.db2.gz GBSVHYJWCUMBDM-KRWDZBQOSA-N 0 0 444.557 2.893 50 0 IFAARN Cc1nnc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1Cc1ccccc1 ZINC000012600982 526378068 /nfs/dbraw/zinc/37/80/68/526378068.db2.gz GQSVTHRYHALCLY-UHFFFAOYSA-N 0 0 441.582 2.773 50 0 IFAARN O=C(CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccs3)ccc21)N1CCCC1 ZINC000035398904 526382743 /nfs/dbraw/zinc/38/27/43/526382743.db2.gz AVBJBSWONQUHCM-UHFFFAOYSA-N 0 0 447.582 2.518 50 0 IFAARN Cc1csc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)n1 ZINC000012407529 526383058 /nfs/dbraw/zinc/38/30/58/526383058.db2.gz PUJFSQJARLMMTN-QGZVFWFLSA-N 0 0 426.542 2.990 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012891619 526403742 /nfs/dbraw/zinc/40/37/42/526403742.db2.gz OUMHJJKJDVHFDD-UHFFFAOYSA-N 0 0 443.352 2.987 50 0 IFAARN Cc1nnc2ccc(N3CCC(C(=O)N4CCN(c5cccc(Cl)c5)CC4)CC3)nn12 ZINC000020732385 526414312 /nfs/dbraw/zinc/41/43/12/526414312.db2.gz OMJDGALTSUQHOP-UHFFFAOYSA-N 0 0 439.951 2.651 50 0 IFAARN O=C(OCN1C(=O)c2ccccc2C1=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000033480728 526420510 /nfs/dbraw/zinc/42/05/10/526420510.db2.gz ZYDNIRDVDUHLGL-CPNJWEJPSA-N 0 0 441.403 2.728 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023559478 526433628 /nfs/dbraw/zinc/43/36/28/526433628.db2.gz LJZATWXEVVCBNP-UHFFFAOYSA-N 0 0 446.429 2.825 50 0 IFAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015591192 526442713 /nfs/dbraw/zinc/44/27/13/526442713.db2.gz WRMIWUSJXUXCTJ-UHFFFAOYSA-N 0 0 446.960 2.508 50 0 IFAARN O=C(NCCc1cn2ccccc2n1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000012602196 526451169 /nfs/dbraw/zinc/45/11/69/526451169.db2.gz SMISJQSQOQMAFY-UHFFFAOYSA-N 0 0 432.933 2.745 50 0 IFAARN O=C(CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccccc2Cl)on1)N1CCOCC1 ZINC000036013657 526475717 /nfs/dbraw/zinc/47/57/17/526475717.db2.gz GKWJUDLQSFYGQC-MRXNPFEDSA-N 0 0 447.919 2.865 50 0 IFAARN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000015859646 526492840 /nfs/dbraw/zinc/49/28/40/526492840.db2.gz JDDGDRPLPGGULX-FQEVSTJZSA-N 0 0 435.480 2.916 50 0 IFAARN O=C(NC[C@@H](c1ccsc1)N1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000022766656 526493912 /nfs/dbraw/zinc/49/39/12/526493912.db2.gz PLTWEHNHDHDYIZ-INIZCTEOSA-N 0 0 427.448 2.895 50 0 IFAARN O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000015859897 526494940 /nfs/dbraw/zinc/49/49/40/526494940.db2.gz QDADSJGLZDZOHA-HNNXBMFYSA-N 0 0 447.285 2.952 50 0 IFAARN Cc1noc(C)c1CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423368 526495697 /nfs/dbraw/zinc/49/56/97/526495697.db2.gz ARMUAAYEWNSKRM-UHFFFAOYSA-N 0 0 431.452 2.868 50 0 IFAARN O=C(CCNC(=O)c1ccc(Cl)cc1)NCC(=O)Nc1ccccc1Br ZINC000012924813 526504015 /nfs/dbraw/zinc/50/40/15/526504015.db2.gz UIJJVTBPDGXTKY-UHFFFAOYSA-N 0 0 438.709 2.977 50 0 IFAARN O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000016649822 526520310 /nfs/dbraw/zinc/52/03/10/526520310.db2.gz ZOXRJSKYKQNJNO-GJZGRUSLSA-N 0 0 435.373 2.830 50 0 IFAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1 ZINC000012590505 526523696 /nfs/dbraw/zinc/52/36/96/526523696.db2.gz HMTSBOMCNVHRGL-UHFFFAOYSA-N 0 0 440.544 2.641 50 0 IFAARN O=C([C@H]1CCC(=O)N(CCc2cccc(F)c2)C1)N1CCCN(Cc2cccnc2)CC1 ZINC000012319196 526532077 /nfs/dbraw/zinc/53/20/77/526532077.db2.gz SJHDPKXEDJHFMI-QFIPXVFZSA-N 0 0 438.547 2.736 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccccc2Br)CC1 ZINC000012790437 526550414 /nfs/dbraw/zinc/55/04/14/526550414.db2.gz LKHPNHFHQHIKRQ-UHFFFAOYSA-N 0 0 442.335 2.591 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012850796 526551589 /nfs/dbraw/zinc/55/15/89/526551589.db2.gz FFXHBQJHUGPIKW-HNNXBMFYSA-N 0 0 431.436 2.780 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000012573261 526554514 /nfs/dbraw/zinc/55/45/14/526554514.db2.gz QPABWLVOTGMAAQ-LBPRGKRZSA-N 0 0 445.526 2.973 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCCCC4)C3)c(C)s2)no1 ZINC000035426103 526562008 /nfs/dbraw/zinc/56/20/08/526562008.db2.gz TXXBRYBMGSMAJC-OAHLLOKOSA-N 0 0 438.575 2.828 50 0 IFAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)NCc4ccco4)CC3)c2)no1 ZINC000033086664 526565881 /nfs/dbraw/zinc/56/58/81/526565881.db2.gz LIWVOCFTOJZECS-UHFFFAOYSA-N 0 0 444.513 2.664 50 0 IFAARN O=C(CC[C@H]1CCCN(C(=O)c2cnn3cccnc23)C1)NCc1ccc(F)c(F)c1 ZINC000012026820 526569796 /nfs/dbraw/zinc/56/97/96/526569796.db2.gz XCMJYDGBNVTZSL-OAHLLOKOSA-N 0 0 427.455 2.956 50 0 IFAARN O=C(NC[C@H](c1cccnc1)N1CCc2ccccc21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000020486019 526581076 /nfs/dbraw/zinc/58/10/76/526581076.db2.gz VJUMNEAVGOZUAQ-HXUWFJFHSA-N 0 0 430.464 2.669 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)c2)no1 ZINC000035457603 526623036 /nfs/dbraw/zinc/62/30/36/526623036.db2.gz YMOPDQUHFCJRTG-UHFFFAOYSA-N 0 0 438.575 2.766 50 0 IFAARN O=C(CCc1nc(CS(=O)(=O)c2ccccc2)no1)NCCc1ccc(Cl)cc1 ZINC000033062685 526650792 /nfs/dbraw/zinc/65/07/92/526650792.db2.gz HLKPZVCGWZKADI-UHFFFAOYSA-N 0 0 433.917 2.988 50 0 IFAARN O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000022484523 526683324 /nfs/dbraw/zinc/68/33/24/526683324.db2.gz FTGYHDPXKZBXPD-FGZHOGPDSA-N 0 0 448.567 2.930 50 0 IFAARN O=C(CCn1cnc2ccccc21)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 ZINC000012317852 526683679 /nfs/dbraw/zinc/68/36/79/526683679.db2.gz MAQCKONMUIJWOI-INIZCTEOSA-N 0 0 432.571 2.705 50 0 IFAARN O=C(c1ccc(N2CCCCS2(=O)=O)cc1Cl)N1CCN(c2ccccn2)CC1 ZINC000012194768 526699518 /nfs/dbraw/zinc/69/95/18/526699518.db2.gz NUPOCGUYENKWIV-UHFFFAOYSA-N 0 0 434.949 2.627 50 0 IFAARN O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCCC1 ZINC000021031327 526707350 /nfs/dbraw/zinc/70/73/50/526707350.db2.gz KRDUUDMSJRIUIC-UHFFFAOYSA-N 0 0 433.574 2.589 50 0 IFAARN O=C(CN1C(=O)COc2ccc(C(=O)N3CCCC3)cc21)NCc1ccccc1Cl ZINC000035376748 526708589 /nfs/dbraw/zinc/70/85/89/526708589.db2.gz WXAQFDPISRUVAU-UHFFFAOYSA-N 0 0 427.888 2.618 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000095369481 526716554 /nfs/dbraw/zinc/71/65/54/526716554.db2.gz KKDMISMDIBDVSH-OLMNPRSZSA-N 0 0 448.361 2.567 50 0 IFAARN O=C(NCc1cccc(NC(=O)C2CC2)c1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000012757563 526721104 /nfs/dbraw/zinc/72/11/04/526721104.db2.gz MHXYZWLHBRAVFJ-IBGZPJMESA-N 0 0 428.558 2.969 50 0 IFAARN O=C(c1ccc2c(c1)NC(=O)CO2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000023995731 526724659 /nfs/dbraw/zinc/72/46/59/526724659.db2.gz XKDHWEAPEAUGGW-UHFFFAOYSA-N 0 0 436.331 2.800 50 0 IFAARN O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000011945136 526728813 /nfs/dbraw/zinc/72/88/13/526728813.db2.gz OVIIYDKMDREOKM-ZDUSSCGKSA-N 0 0 431.495 2.704 50 0 IFAARN O=C(CN1CCCN(Cc2cccc(Cl)c2)S1(=O)=O)NCCCc1ccccc1 ZINC000020996641 526744863 /nfs/dbraw/zinc/74/48/63/526744863.db2.gz MSEVWNVYHRBYMT-UHFFFAOYSA-N 0 0 435.977 2.842 50 0 IFAARN O=C(CN1CCCN(Cc2ccccc2F)S1(=O)=O)NCc1ccccc1Cl ZINC000035477752 526745294 /nfs/dbraw/zinc/74/52/94/526745294.db2.gz PYFKRWHNIVSEEB-UHFFFAOYSA-N 0 0 425.913 2.548 50 0 IFAARN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cc(=O)[nH]c2ccccc21 ZINC000022372018 526760247 /nfs/dbraw/zinc/76/02/47/526760247.db2.gz DFMHPBLGFQCOTK-UHFFFAOYSA-N 0 0 425.510 2.633 50 0 IFAARN O=C(CN1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1)Nc1cccc(F)c1 ZINC000012616056 526761462 /nfs/dbraw/zinc/76/14/62/526761462.db2.gz OZLISNLAICWFQC-UHFFFAOYSA-N 0 0 443.504 2.653 50 0 IFAARN O=C(NCc1cccnc1)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000012664661 526765775 /nfs/dbraw/zinc/76/57/75/526765775.db2.gz KYQVHRZPGOQRRW-UHFFFAOYSA-N 0 0 441.491 2.790 50 0 IFAARN O=C(CN1CCN(CC(=O)Nc2ccccc2N2CCCC2)CC1)Nc1cccc(F)c1 ZINC000022808965 526771329 /nfs/dbraw/zinc/77/13/29/526771329.db2.gz IYFPIULUFSBCIT-UHFFFAOYSA-N 0 0 439.535 2.621 50 0 IFAARN O=C(CN1CCN(Cc2ccco2)CC1)Nc1cccc(I)c1 ZINC000022915228 526776358 /nfs/dbraw/zinc/77/63/58/526776358.db2.gz OCGIBXNPGQAYNI-UHFFFAOYSA-N 0 0 425.270 2.641 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000035395514 526781142 /nfs/dbraw/zinc/78/11/42/526781142.db2.gz RLBCQERASQJODO-UHFFFAOYSA-N 0 0 449.476 2.592 50 0 IFAARN O=C(CN1CCN(c2ccccc2O)CC1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000022240697 526783692 /nfs/dbraw/zinc/78/36/92/526783692.db2.gz KTWVRYJILTXIFX-LJQANCHMSA-N 0 0 448.445 2.821 50 0 IFAARN Cc1oc2nc(SCC(=O)N3CCNC3=O)nc(NC(=O)c3ccccc3)c2c1C ZINC000012765550 526790961 /nfs/dbraw/zinc/79/09/61/526790961.db2.gz YUYOGXCVFYEEHP-UHFFFAOYSA-N 0 0 425.470 2.736 50 0 IFAARN O=C(CN1CCc2ccccc2C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000035414179 526812984 /nfs/dbraw/zinc/81/29/84/526812984.db2.gz CQHQRKGNKFEJDQ-UHFFFAOYSA-N 0 0 449.576 2.731 50 0 IFAARN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(N3CCOCC3)nc2)cs1 ZINC000040132284 526815003 /nfs/dbraw/zinc/81/50/03/526815003.db2.gz IUJZZYFDEIHWRZ-UHFFFAOYSA-N 0 0 427.486 2.710 50 0 IFAARN O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000012537148 526818372 /nfs/dbraw/zinc/81/83/72/526818372.db2.gz AGIKBWMRPPDKJT-IBGZPJMESA-N 0 0 449.429 2.770 50 0 IFAARN Cc1nc(CCNC(=O)[C@H]2CSCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cs1 ZINC000033282346 526823600 /nfs/dbraw/zinc/82/36/00/526823600.db2.gz NAEKWSZSLKGFRM-OAHLLOKOSA-N 0 0 449.982 2.667 50 0 IFAARN O=C(CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@@H]2C1=O)Nc1ccncc1 ZINC000035445782 526824904 /nfs/dbraw/zinc/82/49/04/526824904.db2.gz JYGAKQXWXVJVFB-HXUWFJFHSA-N 0 0 433.512 2.662 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000040926785 526829985 /nfs/dbraw/zinc/82/99/85/526829985.db2.gz FXPIHSHUJXIJAG-UHFFFAOYSA-N 0 0 449.511 2.526 50 0 IFAARN O=C(CNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1)NC[C@@H](O)c1ccccc1 ZINC000012389259 526837161 /nfs/dbraw/zinc/83/71/61/526837161.db2.gz FBEFJQHZDPZOQS-HXUWFJFHSA-N 0 0 426.904 2.739 50 0 IFAARN O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000021875850 526850847 /nfs/dbraw/zinc/85/08/47/526850847.db2.gz QJESEXXXDOHRDT-UHFFFAOYSA-N 0 0 433.839 2.901 50 0 IFAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2ccccn21)c1cccs1 ZINC000021927241 526864200 /nfs/dbraw/zinc/86/42/00/526864200.db2.gz NUEOWLSCGJCUDY-SFHVURJKSA-N 0 0 444.520 2.930 50 0 IFAARN Cc1nc(CNC(=O)[C@H]2CSCN2S(=O)(=O)c2ccc(C(C)C)cc2)cs1 ZINC000021708173 526884726 /nfs/dbraw/zinc/88/47/26/526884726.db2.gz FLSXVYAUBISJPI-QGZVFWFLSA-N 0 0 425.601 2.955 50 0 IFAARN O=C(CNc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012781039 526896784 /nfs/dbraw/zinc/89/67/84/526896784.db2.gz ALMPBTFTFKEUHG-UHFFFAOYSA-N 0 0 427.501 2.924 50 0 IFAARN O=C(COC(=O)CCc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012451975 526907633 /nfs/dbraw/zinc/90/76/33/526907633.db2.gz RTWPXWKVDCOWPT-UHFFFAOYSA-N 0 0 428.832 2.764 50 0 IFAARN NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2 ZINC000033653421 526925574 /nfs/dbraw/zinc/92/55/74/526925574.db2.gz UGABDTYSWYXQQX-ZROIWOOFSA-N 0 0 445.431 2.802 50 0 IFAARN O=C(c1ncoc1-c1ccccc1C(=O)N1CCCCC1)N1CCC2(CC1)OCCO2 ZINC000035460743 526925797 /nfs/dbraw/zinc/92/57/97/526925797.db2.gz QEPLQBHKUDEHBW-UHFFFAOYSA-N 0 0 425.485 2.947 50 0 IFAARN O=C(COc1c(F)c(F)c(F)c(F)c1F)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 ZINC000022659858 526944347 /nfs/dbraw/zinc/94/43/47/526944347.db2.gz SJCAJPQGGUDNJH-LBPRGKRZSA-N 0 0 426.341 2.729 50 0 IFAARN O=C(COc1ccc(Br)cc1Cl)N1CC(=O)NC(=O)C12CCCCC2 ZINC000012896324 526948036 /nfs/dbraw/zinc/94/80/36/526948036.db2.gz ZBYHDOHGQYCSOR-UHFFFAOYSA-N 0 0 429.698 2.669 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCO[C@@H](CN2CCN(c3ccccc3)CC2)C1 ZINC000034667060 526952113 /nfs/dbraw/zinc/95/21/13/526952113.db2.gz CXVJDXBOKUUQRB-QFIPXVFZSA-N 0 0 429.948 2.768 50 0 IFAARN O=C(COc1ccc(F)cc1)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000035534568 526958918 /nfs/dbraw/zinc/95/89/18/526958918.db2.gz ATTBXEGMVUZFJD-UHFFFAOYSA-N 0 0 442.878 2.753 50 0 IFAARN O=C(N[C@H](CN1CCOCC1)c1ccccc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000022202566 526993823 /nfs/dbraw/zinc/99/38/23/526993823.db2.gz USWYXXFJQCTYPQ-HXUWFJFHSA-N 0 0 427.570 2.790 50 0 IFAARN O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)NC1CCCCC1 ZINC000022807535 527002480 /nfs/dbraw/zinc/00/24/80/527002480.db2.gz TXMBPUXNDPFKFF-UHFFFAOYSA-N 0 0 439.556 2.785 50 0 IFAARN O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)NCc1ccccc1 ZINC000022807551 527003063 /nfs/dbraw/zinc/00/30/63/527003063.db2.gz ZLZSZNMSNXBPIH-UHFFFAOYSA-N 0 0 447.535 2.653 50 0 IFAARN O=C(COc1ncnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012581574 527003224 /nfs/dbraw/zinc/00/32/24/527003224.db2.gz QYMOAJXTIPUJJB-UHFFFAOYSA-N 0 0 426.498 2.822 50 0 IFAARN O=C1CS(=O)(=O)[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)N1c1ccc(F)cc1 ZINC000020577201 527015565 /nfs/dbraw/zinc/01/55/65/527015565.db2.gz AVLMOMXENPPIME-HSZRJFAPSA-N 0 0 436.464 2.987 50 0 IFAARN Cn1c(=O)c2cc(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)cnc2n(C)c1=O ZINC000012778376 527025950 /nfs/dbraw/zinc/02/59/50/527025950.db2.gz WRMMLRKFGBZDPV-UHFFFAOYSA-N 0 0 441.900 2.585 50 0 IFAARN O=C1N(CN2CCOCC2)c2ccccc2[C@]12OC[C@@H](COc1ccc(Cl)cc1)O2 ZINC000020494801 527037403 /nfs/dbraw/zinc/03/74/03/527037403.db2.gz HSRQKNLJNNFPDB-XMSQKQJNSA-N 0 0 430.888 2.624 50 0 IFAARN O=C(CSc1nn2c(nnc(Cc3ccccc3)c2=O)s1)N1CCc2ccccc21 ZINC000021782595 527075183 /nfs/dbraw/zinc/07/51/83/527075183.db2.gz NVQKKMZZBMSJHX-UHFFFAOYSA-N 0 0 435.534 2.818 50 0 IFAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)NC(=O)NC1CC1 ZINC000021462569 527075208 /nfs/dbraw/zinc/07/52/08/527075208.db2.gz NAMJSUFBTUDSOI-CQSZACIVSA-N 0 0 440.529 2.686 50 0 IFAARN O=C(CSc1nnc(-c2cccnc2)o1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000008862287 527081206 /nfs/dbraw/zinc/08/12/06/527081206.db2.gz CRVPKGZDQZLLPI-MRXNPFEDSA-N 0 0 436.559 2.572 50 0 IFAARN O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000035369361 527087931 /nfs/dbraw/zinc/08/79/31/527087931.db2.gz OJSCANUVCDCQSX-DVSDUFGPSA-N 0 0 425.847 2.910 50 0 IFAARN O=C(CSc1nnnn1-c1cccnc1)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000012376474 527094246 /nfs/dbraw/zinc/09/42/46/527094246.db2.gz REDMETWXUUWBMU-UHFFFAOYSA-N 0 0 445.508 2.718 50 0 IFAARN Cn1c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCCCC4)c3)cc2n(C)c1=O ZINC000012428058 527102381 /nfs/dbraw/zinc/10/23/81/527102381.db2.gz LZUZHWKYJVOVHL-UHFFFAOYSA-N 0 0 442.541 2.694 50 0 IFAARN Cc1nc2cc(NC(=O)CCc3nc4cc(S(=O)(=O)N(C)C)ccc4n3C)ccc2o1 ZINC000015596589 527125177 /nfs/dbraw/zinc/12/51/77/527125177.db2.gz HCCQDULAJSLYJR-UHFFFAOYSA-N 0 0 441.513 2.845 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cc(Cl)c2c(c1)OCCO2 ZINC000021006387 527129703 /nfs/dbraw/zinc/12/97/03/527129703.db2.gz WWYZXPCNLSEGIZ-UHFFFAOYSA-N 0 0 438.889 2.854 50 0 IFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)NCc1ccc(F)cc1 ZINC000020935862 527137353 /nfs/dbraw/zinc/13/73/53/527137353.db2.gz XZOJPPSOHYKPFG-UHFFFAOYSA-N 0 0 443.431 2.635 50 0 IFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000020560518 527137393 /nfs/dbraw/zinc/13/73/93/527137393.db2.gz RMGKONOGLDANBW-UHFFFAOYSA-N 0 0 429.404 2.957 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1ccc2c(c1)OCO2 ZINC000012744805 527152901 /nfs/dbraw/zinc/15/29/01/527152901.db2.gz MVNASUKPYIHISD-NRFANRHFSA-N 0 0 431.492 2.575 50 0 IFAARN O=C(Nc1ccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1)c1ccccn1 ZINC000032932302 527161365 /nfs/dbraw/zinc/16/13/65/527161365.db2.gz SGTWNMZWPXUPQZ-SFHVURJKSA-N 0 0 439.493 2.756 50 0 IFAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCCc1ccccc1 ZINC000012233073 527180338 /nfs/dbraw/zinc/18/03/38/527180338.db2.gz FUHOKFUVUHUIIE-SFHVURJKSA-N 0 0 431.521 2.978 50 0 IFAARN O=C(C[C@]1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O)N1CCC[C@@H](CO)C1 ZINC000012245768 527188512 /nfs/dbraw/zinc/18/85/12/527188512.db2.gz ZGHMUISCBYQPBB-CJFMBICVSA-N 0 0 426.557 2.885 50 0 IFAARN Cc1nc2sc3c(c2c(=O)n1NC(=O)Cn1cnc2ccccc2c1=O)CCCCC3 ZINC000012680595 527207142 /nfs/dbraw/zinc/20/71/42/527207142.db2.gz FHAIXZRSLKVQQU-UHFFFAOYSA-N 0 0 435.509 2.516 50 0 IFAARN O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccccc1Br ZINC000012756458 527231087 /nfs/dbraw/zinc/23/10/87/527231087.db2.gz DPYMDUVMXWDSKS-UHFFFAOYSA-N 0 0 425.348 2.760 50 0 IFAARN O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(Br)c1 ZINC000012852744 527240523 /nfs/dbraw/zinc/24/05/23/527240523.db2.gz ZJCWHCWCQKXBEA-GOSISDBHSA-N 0 0 425.348 2.801 50 0 IFAARN O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1ccccc1Br ZINC000012914940 527240657 /nfs/dbraw/zinc/24/06/57/527240657.db2.gz CUWAPKMFFSSVAO-QGZVFWFLSA-N 0 0 425.348 2.801 50 0 IFAARN O=S(=O)(c1ccc(-c2nn3c(nnc3-c3ccccc3)s2)cc1)N1CCOCC1 ZINC000012274132 527267613 /nfs/dbraw/zinc/26/76/13/527267613.db2.gz UVSBLRDNHHPKRK-UHFFFAOYSA-N 0 0 427.511 2.541 50 0 IFAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cn2ncsc2=S)CC1 ZINC000012927402 527270940 /nfs/dbraw/zinc/27/09/40/527270940.db2.gz JZQHZBIUDQXYSU-UHFFFAOYSA-N 0 0 425.388 2.945 50 0 IFAARN O=C(Cc1ccccc1)N1CCN(c2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000021884424 527279108 /nfs/dbraw/zinc/27/91/08/527279108.db2.gz CCNQUBNPKPELEX-UHFFFAOYSA-N 0 0 431.521 2.709 50 0 IFAARN Cc1ncc(CO)c2cc(C(=O)NC3=C[C@@H]4OCO[C@H]4C=C3)/c(=N/c3ccccc3)oc12 ZINC000020617621 527282158 /nfs/dbraw/zinc/28/21/58/527282158.db2.gz VVTOPNAYOHOVPI-DNGLHTMXSA-N 0 0 431.448 2.786 50 0 IFAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2cc(Cl)ccc12 ZINC000012867417 527290019 /nfs/dbraw/zinc/29/00/19/527290019.db2.gz HRISFIBIHGMLLM-UHFFFAOYSA-N 0 0 436.896 2.634 50 0 IFAARN NS(=O)(=O)c1cc(C(=O)Nc2ccc(I)cc2)ccc1Cl ZINC000015501902 527305272 /nfs/dbraw/zinc/30/52/72/527305272.db2.gz VIYILWKJMAFPOT-UHFFFAOYSA-N 0 0 436.658 2.844 50 0 IFAARN O=S1(=O)CC[C@@H](N2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)C1 ZINC000012697945 527308694 /nfs/dbraw/zinc/30/86/94/527308694.db2.gz YWUHZYADRBGVSP-MRXNPFEDSA-N 0 0 432.546 2.807 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cc(Br)ccc2F)cc1 ZINC000015589871 527309002 /nfs/dbraw/zinc/30/90/02/527309002.db2.gz UUAQGPIKINYRLJ-FPYGCLRLSA-N 0 0 427.295 2.608 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2csc(-c3cc4ccccc4[nH]3)n2)cc1 ZINC000035598441 527310459 /nfs/dbraw/zinc/31/04/59/527310459.db2.gz YMISLPZMICSNSL-UHFFFAOYSA-N 0 0 426.523 2.911 50 0 IFAARN NS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(-c2cccc(Br)c2)no1 ZINC000012561600 527319060 /nfs/dbraw/zinc/31/90/60/527319060.db2.gz HFCBSWXZEVXCLS-UHFFFAOYSA-N 0 0 435.303 2.709 50 0 IFAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 ZINC000012409937 527331577 /nfs/dbraw/zinc/33/15/77/527331577.db2.gz YHWOLFVWGOOIBR-ZDUSSCGKSA-N 0 0 435.406 2.844 50 0 IFAARN O=C(Cc1n[nH]c(=O)c2ccccc12)Nn1cnc2scc(-c3cccs3)c2c1=O ZINC000013113236 527339677 /nfs/dbraw/zinc/33/96/77/527339677.db2.gz ATUBUBMWXMQGBR-UHFFFAOYSA-N 0 0 435.490 2.736 50 0 IFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)NCCc1ccc(Cl)cc1 ZINC000035449997 527349825 /nfs/dbraw/zinc/34/98/25/527349825.db2.gz BYVYJDFKMNEIRF-UHFFFAOYSA-N 0 0 448.910 2.619 50 0 IFAARN O=C(Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21)NC[C@H]1CCCO1 ZINC000035371892 527359294 /nfs/dbraw/zinc/35/92/94/527359294.db2.gz RPVGLHBJVKPBKN-GOSISDBHSA-N 0 0 434.471 2.834 50 0 IFAARN O=C(Cn1c2sc3c(c2c2nc(-c4cccnc4)nn2c1=O)CCC3)NCc1ccco1 ZINC000012389820 527362596 /nfs/dbraw/zinc/36/25/96/527362596.db2.gz NXABTAXSWNVLEZ-UHFFFAOYSA-N 0 0 446.492 2.566 50 0 IFAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccco4)nn2c1=O)CCC3)NCc1ccco1 ZINC000012389613 527362642 /nfs/dbraw/zinc/36/26/42/527362642.db2.gz FCFZUXVWVIGPQG-UHFFFAOYSA-N 0 0 435.465 2.764 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1n[nH]c(=O)c2ccccc21 ZINC000016044241 527370818 /nfs/dbraw/zinc/37/08/18/527370818.db2.gz KMNVZAHVFQQUBG-UHFFFAOYSA-N 0 0 426.498 2.740 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cnc2sccn2c1=O ZINC000012692234 527371323 /nfs/dbraw/zinc/37/13/23/527371323.db2.gz YSUGUDMQBPVGST-UHFFFAOYSA-N 0 0 432.527 2.573 50 0 IFAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCS[C@H]1c1ccccc1F ZINC000012617674 527398493 /nfs/dbraw/zinc/39/84/93/527398493.db2.gz OXMKGRITRZTHMO-QFIPXVFZSA-N 0 0 435.484 2.996 50 0 IFAARN O=C(Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O)NCc1ccc2c(c1)OCO2 ZINC000033300128 527398901 /nfs/dbraw/zinc/39/89/01/527398901.db2.gz BLBKWLLGBHORSH-UHFFFAOYSA-N 0 0 438.440 2.704 50 0 IFAARN O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)s1 ZINC000033263380 527400887 /nfs/dbraw/zinc/40/08/87/527400887.db2.gz GRQBOUZXSBGLCK-QGZVFWFLSA-N 0 0 449.536 2.959 50 0 IFAARN O=C(Cn1nnc(-c2ccccc2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012427204 527429732 /nfs/dbraw/zinc/42/97/32/527429732.db2.gz XRMKEDTZGDLHMH-UHFFFAOYSA-N 0 0 432.406 2.834 50 0 IFAARN Nc1c(N(Cc2ccco2)C(=O)CCc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000012904558 527434596 /nfs/dbraw/zinc/43/45/96/527434596.db2.gz CFSARQFPGQFYEA-UHFFFAOYSA-N 0 0 444.491 2.926 50 0 IFAARN O=c1[nH]c(CN2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)nc2cc(Cl)ccc12 ZINC000015924457 527437993 /nfs/dbraw/zinc/43/79/93/527437993.db2.gz SWVGFORMUIBORT-MDWZMJQESA-N 0 0 444.944 2.695 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1F ZINC000012629531 527452691 /nfs/dbraw/zinc/45/26/91/527452691.db2.gz YITSHIDIJUQKEM-FQEVSTJZSA-N 0 0 442.516 2.863 50 0 IFAARN O=C(NC1CCCC1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000035807639 527508555 /nfs/dbraw/zinc/50/85/55/527508555.db2.gz SAPRKDGLPXUFSO-BJKOFHAPSA-N 0 0 430.552 2.969 50 0 IFAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000012729474 527515653 /nfs/dbraw/zinc/51/56/53/527515653.db2.gz XZYNGUWINVDRAD-ZDUSSCGKSA-N 0 0 434.905 2.926 50 0 IFAARN Cc1nn(-c2ccc(-c3ccc(C)c(C)c3)nn2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000033308198 527519378 /nfs/dbraw/zinc/51/93/78/527519378.db2.gz NKEGPRTYHYILLU-UHFFFAOYSA-N 0 0 427.530 2.584 50 0 IFAARN O=C(NC1CCCCCCC1)C1CCC(CNc2c(=O)c(=O)c2N2CCOCC2)CC1 ZINC000021166402 527520591 /nfs/dbraw/zinc/52/05/91/527520591.db2.gz GYZREAWOEHWQIR-UHFFFAOYSA-N 0 0 431.577 2.567 50 0 IFAARN O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000012545145 527531717 /nfs/dbraw/zinc/53/17/17/527531717.db2.gz KTPQPEZRWDZWSE-UHFFFAOYSA-N 0 0 428.396 2.557 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012797250 527538252 /nfs/dbraw/zinc/53/82/52/527538252.db2.gz QFCUJBBACFSOBM-UHFFFAOYSA-N 0 0 442.516 2.775 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000022413399 527538354 /nfs/dbraw/zinc/53/83/54/527538354.db2.gz OAEYZSUGRUWMJR-IBGZPJMESA-N 0 0 438.553 2.923 50 0 IFAARN Cn1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c1-c1ccccc1OC2 ZINC000020484875 527542373 /nfs/dbraw/zinc/54/23/73/527542373.db2.gz VKQCLSJSPRQLRI-UHFFFAOYSA-N 0 0 432.480 2.666 50 0 IFAARN Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000020674140 527556325 /nfs/dbraw/zinc/55/63/25/527556325.db2.gz WYAOJYGAEOQBMD-JTQLQIEISA-N 0 0 437.287 2.916 50 0 IFAARN O=C(/C=C/c1ccc(Cl)s1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000022327564 527609192 /nfs/dbraw/zinc/60/91/92/527609192.db2.gz ICYLSEXOMPFTFK-SOFGYWHQSA-N 0 0 426.947 2.752 50 0 IFAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1cccs1)c1ccc(C)cc1 ZINC000021533623 527655627 /nfs/dbraw/zinc/65/56/27/527655627.db2.gz CIHIMNUANCJYKV-UHFFFAOYSA-N 0 0 432.571 2.919 50 0 IFAARN O=C(/C=C\c1ccc2c(c1)OCO2)N1CCN(C(=O)/C=C\c2ccc3c(c2)OCO3)CC1 ZINC000033335525 527657067 /nfs/dbraw/zinc/65/70/67/527657067.db2.gz XSSVSFCKPZNHNG-VHOZIDCHSA-N 0 0 434.448 2.541 50 0 IFAARN O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000020720146 527657068 /nfs/dbraw/zinc/65/70/68/527657068.db2.gz LMYDZORLJUCMDX-OAQYLSRUSA-N 0 0 428.439 2.828 50 0 IFAARN O[C@@H](COc1ccc(Br)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022791597 527659891 /nfs/dbraw/zinc/65/98/91/527659891.db2.gz VKMTVMBBLOHOTQ-GOSISDBHSA-N 0 0 449.345 2.735 50 0 IFAARN O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCSC[C@@H]12 ZINC000035907894 527671386 /nfs/dbraw/zinc/67/13/86/527671386.db2.gz MSFHIFDTGPGSFL-MJGOQNOKSA-N 0 0 443.535 2.638 50 0 IFAARN O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000020684718 527672500 /nfs/dbraw/zinc/67/25/00/527672500.db2.gz DGZPHTDZOAGPCQ-UHFFFAOYSA-N 0 0 440.949 2.500 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000012845527 527673211 /nfs/dbraw/zinc/67/32/11/527673211.db2.gz LGNZOCCREPMYEY-ZWKOTPCHSA-N 0 0 437.466 2.996 50 0 IFAARN Cc1nn(C)c2nc(C)cc(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)c12 ZINC000014899287 527683464 /nfs/dbraw/zinc/68/34/64/527683464.db2.gz OXNBTVSNUOFRMZ-UHFFFAOYSA-N 0 0 434.544 2.598 50 0 IFAARN CC(C)S(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000009707430 535103042 /nfs/dbraw/zinc/10/30/42/535103042.db2.gz IDAJGQWSBSEJSI-UHFFFAOYSA-N 0 0 426.542 2.567 50 0 IFAARN CCN(CC)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000010401475 535436605 /nfs/dbraw/zinc/43/66/05/535436605.db2.gz OEKNJBBAWMRHSI-UHFFFAOYSA-N 0 0 430.526 2.853 50 0 IFAARN CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)c2cccs2)n(C)c(=O)n3C)CC1 ZINC000009561418 535603567 /nfs/dbraw/zinc/60/35/67/535603567.db2.gz AECLRXBOTJDETH-UHFFFAOYSA-N 0 0 442.541 2.970 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccccc2)c1 ZINC000009630996 535633053 /nfs/dbraw/zinc/63/30/53/535633053.db2.gz WDMXVAQSOJAIOT-UHFFFAOYSA-N 0 0 447.557 2.571 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(F)c2)c1 ZINC000013098874 535633283 /nfs/dbraw/zinc/63/32/83/535633283.db2.gz XZLZCDWBWZACHH-UHFFFAOYSA-N 0 0 435.521 2.945 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccccc2F)c1 ZINC000008687784 535633907 /nfs/dbraw/zinc/63/39/07/535633907.db2.gz MKSVJFKHLCXGMT-UHFFFAOYSA-N 0 0 449.548 2.874 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2F)c1 ZINC000009983879 535633967 /nfs/dbraw/zinc/63/39/67/535633967.db2.gz QYOCPSHCKDARSV-UHFFFAOYSA-N 0 0 435.521 2.945 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2cc(C)cc(C)c2)[C@](C)(C(=O)NC2CCCCC2)C1 ZINC000008590744 535656195 /nfs/dbraw/zinc/65/61/95/535656195.db2.gz NODYNEDBZKQWCS-QFIPXVFZSA-N 0 0 435.590 2.509 50 0 IFAARN CCOC(=O)c1ccc(N2CN=c3s/c(=C\c4cccc(Cl)c4)c(=O)n3C2)cc1 ZINC000002240557 535692697 /nfs/dbraw/zinc/69/26/97/535692697.db2.gz FAHLCTDKCWIJAP-WQRHYEAKSA-N 0 0 427.913 2.624 50 0 IFAARN CNC(=O)[C@H]1CN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)c2ccccc2O1 ZINC000013114248 536397887 /nfs/dbraw/zinc/39/78/87/536397887.db2.gz UOLRLHBXHHATMZ-OAQYLSRUSA-N 0 0 440.459 2.540 50 0 IFAARN COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000009284772 536559801 /nfs/dbraw/zinc/55/98/01/536559801.db2.gz KLAJAFAXNPZWRM-HNNXBMFYSA-N 0 0 440.529 2.627 50 0 IFAARN COCCCNC(=O)N1CCN(c2nnc(C)c3c(C)n(-c4ccc(C)cc4)nc32)CC1 ZINC000009642538 536575020 /nfs/dbraw/zinc/57/50/20/536575020.db2.gz LFLZNPMNPHHKKM-UHFFFAOYSA-N 0 0 437.548 2.609 50 0 IFAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 ZINC000004090972 536582280 /nfs/dbraw/zinc/58/22/80/536582280.db2.gz PENOYUJZFQLLOZ-LFYBBSHMSA-N 0 0 438.553 2.890 50 0 IFAARN COc1ccc(/C=C/C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000010640790 536594926 /nfs/dbraw/zinc/59/49/26/536594926.db2.gz NANUREKFCMWKAE-ONNFQVAWSA-N 0 0 428.460 2.748 50 0 IFAARN COc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2F)c4=O)cc1 ZINC000009210811 536707896 /nfs/dbraw/zinc/70/78/96/536707896.db2.gz ARSLEFRKURPQHN-OAHLLOKOSA-N 0 0 449.486 2.881 50 0 IFAARN COC(=O)c1cnc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)s1 ZINC000009469770 536833669 /nfs/dbraw/zinc/83/36/69/536833669.db2.gz AGPPTGAIUQBHNR-UHFFFAOYSA-N 0 0 434.499 2.663 50 0 IFAARN COc1cc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc(Cl)c1OC ZINC000016964599 536890143 /nfs/dbraw/zinc/89/01/43/536890143.db2.gz PTAKRWRMZFFOME-IBGZPJMESA-N 0 0 446.887 2.624 50 0 IFAARN COc1ccccc1N1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 ZINC000011613624 537065549 /nfs/dbraw/zinc/06/55/49/537065549.db2.gz TWLFRCSCVHFLEJ-INIZCTEOSA-N 0 0 440.569 2.516 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)CC1 ZINC000009862238 537065699 /nfs/dbraw/zinc/06/56/99/537065699.db2.gz ZRTFFYUYKIXTOP-OAHLLOKOSA-N 0 0 449.602 2.579 50 0 IFAARN COc1cccc(N2CCN(Cc3nc(N)nc(N4CCCc5ccccc54)n3)CC2)c1 ZINC000001419213 537123943 /nfs/dbraw/zinc/12/39/43/537123943.db2.gz DRBZYDQLNLYGTC-UHFFFAOYSA-N 0 0 431.544 2.869 50 0 IFAARN COc1ccc(Cl)cc1N(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccccc1 ZINC000000621922 555511109 /nfs/dbraw/zinc/51/11/09/555511109.db2.gz AZUOEGKUUDXTPE-MRXNPFEDSA-N 0 0 438.933 2.839 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000627384 555513156 /nfs/dbraw/zinc/51/31/56/555513156.db2.gz MJWRRXDSLOSKDR-UBXANZILSA-N 0 0 434.517 2.725 50 0 IFAARN Cn1c2ccc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2n(C)c1=O ZINC000000641915 555518706 /nfs/dbraw/zinc/51/87/06/555518706.db2.gz WXCKQKJOHABGKO-OQLLNIDSSA-N 0 0 441.285 2.732 50 0 IFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3F)C2)cc1 ZINC000000645106 555520179 /nfs/dbraw/zinc/52/01/79/555520179.db2.gz GJQVPMNSUYCZAY-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000000686841 555540045 /nfs/dbraw/zinc/54/00/45/555540045.db2.gz KJMZFWFEXPZXHQ-UHFFFAOYSA-N 0 0 428.894 2.625 50 0 IFAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Br)c1O ZINC000000706413 555544945 /nfs/dbraw/zinc/54/49/45/555544945.db2.gz KPZLXCIQQVWELB-NHYWBVRUSA-N 0 0 441.278 2.513 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000000759200 555554135 /nfs/dbraw/zinc/55/41/35/555554135.db2.gz ZAJLSEUBSNVJEO-LUDQZLGDSA-N 0 0 434.517 2.807 50 0 IFAARN COc1ccc(C(=O)N2CC3(C)CN(C(=O)c4ccc(OC)cc4)CC(C)(C2)C3=O)cc1 ZINC000000785118 555556143 /nfs/dbraw/zinc/55/61/43/555556143.db2.gz DTOCSANSBFGDOC-UHFFFAOYSA-N 0 0 436.508 2.897 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1 ZINC000000789184 555556674 /nfs/dbraw/zinc/55/66/74/555556674.db2.gz VATFIJFIISRHDA-UHFFFAOYSA-N 0 0 437.345 2.561 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc2c(c1)OCO2 ZINC000000807297 555559994 /nfs/dbraw/zinc/55/99/94/555559994.db2.gz WMTFACHPQOGPQZ-UHFFFAOYSA-N 0 0 440.477 2.911 50 0 IFAARN COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000869490 555574959 /nfs/dbraw/zinc/57/49/59/555574959.db2.gz RYKMPMOBXFDEEB-SFHVURJKSA-N 0 0 448.541 2.503 50 0 IFAARN COc1cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC ZINC000000881691 555577763 /nfs/dbraw/zinc/57/77/63/555577763.db2.gz OYJBONAPHJWCIG-UHFFFAOYSA-N 0 0 431.514 2.676 50 0 IFAARN CCOc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(C)cc1 ZINC000000889089 555579491 /nfs/dbraw/zinc/57/94/91/555579491.db2.gz RYZGWZYAAJCICU-SFHVURJKSA-N 0 0 432.542 2.884 50 0 IFAARN O=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000000899525 555580850 /nfs/dbraw/zinc/58/08/50/555580850.db2.gz XLZWHEMAVWTRON-UHFFFAOYSA-N 0 0 434.514 2.674 50 0 IFAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(OC)cc2OC)c1 ZINC000000909904 555582566 /nfs/dbraw/zinc/58/25/66/555582566.db2.gz VOHJKQMCMRGWHH-FQEVSTJZSA-N 0 0 427.457 2.988 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccccc1F ZINC000000911632 555582585 /nfs/dbraw/zinc/58/25/85/555582585.db2.gz JISMPRASKKKLGF-QMJOVRGKSA-N 0 0 428.510 2.999 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000009664874 555585624 /nfs/dbraw/zinc/58/56/24/555585624.db2.gz IFRJPJBLDSGTHY-UHFFFAOYSA-N 0 0 432.420 2.982 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC000000983538 555594245 /nfs/dbraw/zinc/59/42/45/555594245.db2.gz OQUQEFCEPGURGW-UHFFFAOYSA-N 0 0 434.514 2.958 50 0 IFAARN COc1ccc(CC(=O)NCc2nnc(SCC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000001061225 555616332 /nfs/dbraw/zinc/61/63/32/555616332.db2.gz QJKCHXVOPQUUBU-UHFFFAOYSA-N 0 0 440.525 2.666 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1C(F)(F)F ZINC000001063686 555617236 /nfs/dbraw/zinc/61/72/36/555617236.db2.gz SNIIFDZVFCOAKL-UHFFFAOYSA-N 0 0 444.431 2.744 50 0 IFAARN CCOC(=O)c1sc(NC(=O)Cn2cnc3ccccc3c2=O)c(C(=O)OCC)c1C ZINC000001071716 555621399 /nfs/dbraw/zinc/62/13/99/555621399.db2.gz HNGFLUQMRMKJEZ-UHFFFAOYSA-N 0 0 443.481 2.759 50 0 IFAARN CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3c(F)cccc3Cl)C2)c1 ZINC000001077203 555624572 /nfs/dbraw/zinc/62/45/72/555624572.db2.gz PAYROJSEWNYIAD-INIZCTEOSA-N 0 0 445.925 2.961 50 0 IFAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001080729 555625930 /nfs/dbraw/zinc/62/59/30/555625930.db2.gz VMXPKINUOWOAFI-UHFFFAOYSA-N 0 0 437.521 2.946 50 0 IFAARN NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)CC1 ZINC000001081006 555625932 /nfs/dbraw/zinc/62/59/32/555625932.db2.gz OPNXKQYSIVHRIP-UHFFFAOYSA-N 0 0 435.459 2.601 50 0 IFAARN Cc1ccc(S(=O)(=O)CCC(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)cc1 ZINC000009672668 555628175 /nfs/dbraw/zinc/62/81/75/555628175.db2.gz UVYSWQJUGSNURU-UHFFFAOYSA-N 0 0 441.513 2.721 50 0 IFAARN CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)sc2c1CCCC2 ZINC000001101118 555628731 /nfs/dbraw/zinc/62/87/31/555628731.db2.gz GCYKCDUVYWTTJG-UHFFFAOYSA-N 0 0 448.522 2.587 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)cc1 ZINC000001108572 555630238 /nfs/dbraw/zinc/63/02/38/555630238.db2.gz VJQGOBNEODUFJO-HNNXBMFYSA-N 0 0 434.514 2.958 50 0 IFAARN CC12CN(S(=O)(=O)c3ccccc3)CC(C)(CN(S(=O)(=O)c3ccccc3)C1)C2 ZINC000001114109 555633413 /nfs/dbraw/zinc/63/34/13/555633413.db2.gz QEMQLFTYCJDUTL-UHFFFAOYSA-N 0 0 434.583 2.798 50 0 IFAARN CN(CC(=O)Nc1ccc(I)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000001120832 555637671 /nfs/dbraw/zinc/63/76/71/555637671.db2.gz ZKPOUGGAHKGCMI-UHFFFAOYSA-N 0 0 448.257 2.690 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 ZINC000001127277 555641665 /nfs/dbraw/zinc/64/16/65/555641665.db2.gz QXDXQVQGJJQEFJ-CHWSQXEVSA-N 0 0 433.915 2.757 50 0 IFAARN CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)S(C)(=O)=O ZINC000001148665 555654894 /nfs/dbraw/zinc/65/48/94/555654894.db2.gz RHCPAZKLJRYCGD-UHFFFAOYSA-N 0 0 447.557 2.876 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000001151255 555656401 /nfs/dbraw/zinc/65/64/01/555656401.db2.gz UQPBPOQTPMLDCK-JKALPCAWSA-N 0 0 438.505 2.788 50 0 IFAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Cl)N(NC(=O)c2cccc(F)c2)C1=S ZINC000001182378 555672200 /nfs/dbraw/zinc/67/22/00/555672200.db2.gz UEEDTDPTNAMYCF-MRXNPFEDSA-N 0 0 448.907 2.970 50 0 IFAARN Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000009718137 555676672 /nfs/dbraw/zinc/67/66/72/555676672.db2.gz RJDOVVYDIQOBCF-UHFFFAOYSA-N 0 0 447.369 2.979 50 0 IFAARN O=C(CSc1nnnn1-c1ccccc1)Nc1cc2c(cc1Br)OCCO2 ZINC000001198512 555677647 /nfs/dbraw/zinc/67/76/47/555677647.db2.gz MPLRDWFHBMREIX-UHFFFAOYSA-N 0 0 448.302 2.927 50 0 IFAARN Cc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 ZINC000001200893 555678508 /nfs/dbraw/zinc/67/85/08/555678508.db2.gz BMGKBBBTDIEZKT-UHFFFAOYSA-N 0 0 447.329 2.886 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(I)cc2)cc1 ZINC000001213991 555683349 /nfs/dbraw/zinc/68/33/49/555683349.db2.gz KCDYRKOSDVITRD-UHFFFAOYSA-N 0 0 430.267 2.794 50 0 IFAARN COc1cc(/C=C(\NC(C)=O)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC(C)=O ZINC000001232610 555686870 /nfs/dbraw/zinc/68/68/70/555686870.db2.gz OZLKRNRFDXXLJY-ODLFYWEKSA-N 0 0 425.441 2.695 50 0 IFAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OC)cc2)N(Cc2ccccc2)C1=S ZINC000001421200 555695630 /nfs/dbraw/zinc/69/56/30/555695630.db2.gz CZFPONVBPBSHBI-SFHVURJKSA-N 0 0 425.510 2.820 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ncccc3C(F)(F)F)CC2)cc1 ZINC000071887879 555699617 /nfs/dbraw/zinc/69/96/17/555699617.db2.gz KQZICYAPUIPBTH-UHFFFAOYSA-N 0 0 428.436 2.603 50 0 IFAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)cc2)CC1=O ZINC000001461412 555700520 /nfs/dbraw/zinc/70/05/20/555700520.db2.gz ZQUHIZNGLHHKTL-ZDUSSCGKSA-N 0 0 442.855 2.961 50 0 IFAARN O=C(NCCS(=O)(=O)Cc1cc2cccc3c2n(c1=O)CCC3)c1c(F)cccc1F ZINC000001741404 555711772 /nfs/dbraw/zinc/71/17/72/555711772.db2.gz XUEJTWWWLRBWSU-UHFFFAOYSA-N 0 0 446.475 2.571 50 0 IFAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000010425179 555714959 /nfs/dbraw/zinc/71/49/59/555714959.db2.gz QIMVJGLERLQZEA-UHFFFAOYSA-N 0 0 429.908 2.819 50 0 IFAARN O=S(=O)(c1ccccc1)N1CCCCC[C@H]1C1CCN(Cc2nnnn2C2CC2)CC1 ZINC000071889339 555723043 /nfs/dbraw/zinc/72/30/43/555723043.db2.gz VEUXCIXGOMDMMA-NRFANRHFSA-N 0 0 444.605 2.854 50 0 IFAARN C[C@H]1CC(=O)NCCN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000071889435 555727031 /nfs/dbraw/zinc/72/70/31/555727031.db2.gz RLHNRCQPNXGCNV-INIZCTEOSA-N 0 0 437.569 2.905 50 0 IFAARN CS(=O)(=O)c1ccc(-c2nnc(C3(c4ccc5c(c4)OCO5)CCOCC3)o2)cc1 ZINC000071889930 555738392 /nfs/dbraw/zinc/73/83/92/555738392.db2.gz VXNAQNBIUNMTAP-UHFFFAOYSA-N 0 0 428.466 2.965 50 0 IFAARN O=C(NCCSCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000002146440 555749124 /nfs/dbraw/zinc/74/91/24/555749124.db2.gz QNGAYZMQCUDONI-UHFFFAOYSA-N 0 0 444.962 2.617 50 0 IFAARN COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)cc1OC ZINC000002170343 555751809 /nfs/dbraw/zinc/75/18/09/555751809.db2.gz NSTCZLTVWRNLOG-UHFFFAOYSA-N 0 0 438.571 2.687 50 0 IFAARN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OC(C)C ZINC000002169356 555751875 /nfs/dbraw/zinc/75/18/75/555751875.db2.gz FJLQNIFSIIAISA-LDADJPATSA-N 0 0 434.514 2.768 50 0 IFAARN COc1ccc(-n2c3nnc(SCC(N)=O)n3c3sc4c(c3c2=O)CCCC4)cc1 ZINC000002275804 555764758 /nfs/dbraw/zinc/76/47/58/555764758.db2.gz PGRUMLOITLCQTJ-UHFFFAOYSA-N 0 0 441.538 2.560 50 0 IFAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2N)cc1 ZINC000002369084 555773027 /nfs/dbraw/zinc/77/30/27/555773027.db2.gz PMWRPTIJXNLIMU-UHFFFAOYSA-N 0 0 429.502 2.806 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)CC1 ZINC000002463938 555783125 /nfs/dbraw/zinc/78/31/25/555783125.db2.gz RBOCIHOBCOAUFZ-UHFFFAOYSA-N 0 0 443.301 2.885 50 0 IFAARN CCN1C(=O)N[C@H](c2cc(Br)c(O)c(OC)c2)C(C(=O)OCCOC)=C1C ZINC000002478304 555783463 /nfs/dbraw/zinc/78/34/63/555783463.db2.gz BGBWBKSTIRYUKV-OAHLLOKOSA-N 0 0 443.294 2.713 50 0 IFAARN COc1ccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N3CCN(C)CC3)CC2)cc1 ZINC000034675336 555794029 /nfs/dbraw/zinc/79/40/29/555794029.db2.gz TVLWZZVFDJKSQV-UHFFFAOYSA-N 0 0 436.556 2.806 50 0 IFAARN CN1CCN(c2nc3c(c(Oc4ccc(F)cc4)n2)CN(C(=O)c2ccco2)CC3)CC1 ZINC000034676648 555794756 /nfs/dbraw/zinc/79/47/56/555794756.db2.gz SUBIIKAULSQKPD-UHFFFAOYSA-N 0 0 437.475 2.951 50 0 IFAARN Cc1ccc(F)c(NC(=O)c2coc(CN3CCN(C[C@@H](O)COCC(C)C)CC3)n2)c1 ZINC000034677331 555795798 /nfs/dbraw/zinc/79/57/98/555795798.db2.gz DNFUPCGGEGSPPR-GOSISDBHSA-N 0 0 448.539 2.526 50 0 IFAARN Cc1ccc(C(=O)N(CC2CC2)C[C@H]2CN(C[C@H](O)COc3ccccc3)CCO2)cc1 ZINC000034691686 555804611 /nfs/dbraw/zinc/80/46/11/555804611.db2.gz PHWDLVHMODSJGV-UKILVPOCSA-N 0 0 438.568 2.988 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2ccc(F)cc2)n(-c2ccc(Cl)cc2)c1=O ZINC000034693127 555805820 /nfs/dbraw/zinc/80/58/20/555805820.db2.gz UAPZSXBDSLNZLN-UHFFFAOYSA-N 0 0 428.851 2.836 50 0 IFAARN O=c1c2c(ncn2Cc2ccccc2F)n(-c2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000034693095 555805827 /nfs/dbraw/zinc/80/58/27/555805827.db2.gz AMRDKFKGQBCMBF-GOSISDBHSA-N 0 0 438.434 2.854 50 0 IFAARN CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccccc1OC ZINC000034693563 555808046 /nfs/dbraw/zinc/80/80/46/555808046.db2.gz BUCFHRUBBCBGFI-INIZCTEOSA-N 0 0 448.479 2.530 50 0 IFAARN O=c1c2c(ncn2Cc2c(F)cccc2F)n(-c2ccccc2)c(=O)n1C[C@@H]1CCCO1 ZINC000034693949 555808569 /nfs/dbraw/zinc/80/85/69/555808569.db2.gz MQFHKWVIGKBXMC-INIZCTEOSA-N 0 0 438.434 2.854 50 0 IFAARN O=c1c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2ccccc2)c(=O)n1C[C@H]1CCCO1 ZINC000034693954 555808945 /nfs/dbraw/zinc/80/89/45/555808945.db2.gz XNXAPKKGNIYJSL-QGZVFWFLSA-N 0 0 438.434 2.854 50 0 IFAARN COCC(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccc(C)cc4)n32)C[C@H]1C ZINC000034700676 555820940 /nfs/dbraw/zinc/82/09/40/555820940.db2.gz VNCWFCPNCZIWIZ-QGZVFWFLSA-N 0 0 430.512 2.936 50 0 IFAARN C[C@H](CNC(=O)c1ccc2nc(N)sc2c1)NC(=O)c1ccc2nc(N)sc2c1 ZINC000002797309 555823018 /nfs/dbraw/zinc/82/30/18/555823018.db2.gz QWKGBJRXUYKNHA-SECBINFHSA-N 0 0 426.527 2.619 50 0 IFAARN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(OC)c1 ZINC000002830535 555831693 /nfs/dbraw/zinc/83/16/93/555831693.db2.gz KCHICQUITDROPJ-YVLHZVERSA-N 0 0 444.484 2.986 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000002838741 555834413 /nfs/dbraw/zinc/83/44/13/555834413.db2.gz LWJQKZPNZBKHLN-UHFFFAOYSA-N 0 0 430.404 2.881 50 0 IFAARN COC(=O)c1cc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)ccc1Cl ZINC000002850864 555839259 /nfs/dbraw/zinc/83/92/59/555839259.db2.gz MOFUXZMLLKFFBM-UHFFFAOYSA-N 0 0 426.878 2.540 50 0 IFAARN CCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000002852479 555839886 /nfs/dbraw/zinc/83/98/86/555839886.db2.gz SKEMOGWFGQGWPX-UHFFFAOYSA-N 0 0 433.530 2.630 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1 ZINC000002854566 555841067 /nfs/dbraw/zinc/84/10/67/555841067.db2.gz PQCNKBGDMYMXOV-NSHDSACASA-N 0 0 430.267 2.597 50 0 IFAARN COc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000002857653 555842764 /nfs/dbraw/zinc/84/27/64/555842764.db2.gz OYLSDCCTLYNVFC-UHFFFAOYSA-N 0 0 439.534 2.546 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1C ZINC000002861853 555845158 /nfs/dbraw/zinc/84/51/58/555845158.db2.gz WLMQTIYQLGDXNY-UHFFFAOYSA-N 0 0 435.893 2.731 50 0 IFAARN CN(CC(=O)Nc1cccc(I)c1)S(=O)(=O)c1ccccc1 ZINC000002866859 555847810 /nfs/dbraw/zinc/84/78/10/555847810.db2.gz WATFZHASMCHKPO-UHFFFAOYSA-N 0 0 430.267 2.550 50 0 IFAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000002866916 555847830 /nfs/dbraw/zinc/84/78/30/555847830.db2.gz FHFOOGKQDJFVIQ-UHFFFAOYSA-N 0 0 428.514 2.794 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(I)c2)c1 ZINC000002868450 555848469 /nfs/dbraw/zinc/84/84/69/555848469.db2.gz PZCGHQSDISYZSU-UHFFFAOYSA-N 0 0 430.267 2.794 50 0 IFAARN COc1ccc(OCCSc2nnc(CCNC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000002870599 555849370 /nfs/dbraw/zinc/84/93/70/555849370.db2.gz RRGNMTNOCAZBLU-UHFFFAOYSA-N 0 0 442.541 2.976 50 0 IFAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2C)c1C ZINC000002873571 555850667 /nfs/dbraw/zinc/85/06/67/555850667.db2.gz DFBXAFZTDQFFIV-UHFFFAOYSA-N 0 0 429.542 2.750 50 0 IFAARN COC(=O)COc1ccc(NC(=O)COc2ccc(I)cc2)cc1 ZINC000002874731 555851724 /nfs/dbraw/zinc/85/17/24/555851724.db2.gz GQACYVSTXQFTQD-UHFFFAOYSA-N 0 0 441.221 2.861 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)N(C)C[C@H](O)Cn1cc(C=O)c2ccccc21 ZINC000002882147 555855953 /nfs/dbraw/zinc/85/59/53/555855953.db2.gz VKOMXZQIUFIZIG-INIZCTEOSA-N 0 0 436.917 2.797 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(NC(C)=O)s1)CCC2 ZINC000002884943 555857522 /nfs/dbraw/zinc/85/75/22/555857522.db2.gz RKPAOKRUJDJWOU-UHFFFAOYSA-N 0 0 426.545 2.954 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(OC)ccc3OC)C2)cc1 ZINC000002886512 555858338 /nfs/dbraw/zinc/85/83/38/555858338.db2.gz BIXJDBCDTLXFKP-OAHLLOKOSA-N 0 0 434.514 2.752 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000010546755 555876979 /nfs/dbraw/zinc/87/69/79/555876979.db2.gz DDQCFWHRUOAMOX-GOSISDBHSA-N 0 0 426.542 2.674 50 0 IFAARN CC(C)COc1ccc(-c2nnc(CCC(=O)N3CC[NH+](C(C)C)CC3)c(=O)[n-]2)cc1 ZINC000034763986 555905730 /nfs/dbraw/zinc/90/57/30/555905730.db2.gz LJXKVHGHCCYWSX-UHFFFAOYSA-N 0 0 427.549 2.764 50 0 IFAARN O=C(NCc1ccccn1)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O ZINC000034810783 555908417 /nfs/dbraw/zinc/90/84/17/555908417.db2.gz KBVZHDNQVWLOTA-UHFFFAOYSA-N 0 0 429.402 2.883 50 0 IFAARN COCCN1CCN(C(=O)c2nc(CCc3ccccc3)n(-c3ccccc3C)n2)CC1 ZINC000034911934 555925519 /nfs/dbraw/zinc/92/55/19/555925519.db2.gz ISPJBESQYPUXDW-UHFFFAOYSA-N 0 0 433.556 2.765 50 0 IFAARN CC(C)C(=O)N1CCC2(CC1)OC[C@H](C(=O)N1CCC(C)CC1)N2C(=O)c1ccccc1 ZINC000034920444 555931209 /nfs/dbraw/zinc/93/12/09/555931209.db2.gz TVHJZBMOYRZTEJ-OAQYLSRUSA-N 0 0 441.572 2.761 50 0 IFAARN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000003565886 555939791 /nfs/dbraw/zinc/93/97/91/555939791.db2.gz MVQTUANIUIZSIM-UHFFFAOYSA-N 0 0 428.869 2.761 50 0 IFAARN COCCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003630553 555941737 /nfs/dbraw/zinc/94/17/37/555941737.db2.gz AEJXNKVZRLLROL-FCHUYYIVSA-N 0 0 442.512 2.776 50 0 IFAARN COc1ccc2nc(NC(=O)CCNS(=O)(=O)c3cccc4nsnc43)sc2c1 ZINC000003665283 555945151 /nfs/dbraw/zinc/94/51/51/555945151.db2.gz BRAWIXGELWSWGM-UHFFFAOYSA-N 0 0 449.539 2.617 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)CC1 ZINC000004001775 555952487 /nfs/dbraw/zinc/95/24/87/555952487.db2.gz WQNDIRUMUDOFHT-UHFFFAOYSA-N 0 0 431.514 2.710 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](C(=O)NCc1cccnc1)[C@H](c1cccnc1)N(C)C2=O ZINC000004057633 555956019 /nfs/dbraw/zinc/95/60/19/555956019.db2.gz WXAKPQFTPJVJMF-YADHBBJMSA-N 0 0 432.480 2.721 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NC[C@@H]1CCCO1 ZINC000004196219 555975372 /nfs/dbraw/zinc/97/53/72/555975372.db2.gz RNCYDAXJMHNPDJ-HNNXBMFYSA-N 0 0 430.954 2.625 50 0 IFAARN COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)c1 ZINC000004436161 555994994 /nfs/dbraw/zinc/99/49/94/555994994.db2.gz JMHKDCTWTYLZNH-ZDUSSCGKSA-N 0 0 432.527 2.739 50 0 IFAARN O=C(COC(=O)c1sccc1S(=O)(=O)N1CCCCC1)Nc1c(F)cccc1F ZINC000010569458 556072962 /nfs/dbraw/zinc/07/29/62/556072962.db2.gz AWENLSCFNHLKKL-UHFFFAOYSA-N 0 0 444.481 2.996 50 0 IFAARN O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1ccc2c[nH]nc2c1 ZINC000006460186 556089634 /nfs/dbraw/zinc/08/96/34/556089634.db2.gz WPNDDXUPNUBTPM-UHFFFAOYSA-N 0 0 432.469 2.984 50 0 IFAARN CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Cl)cc32)CC1 ZINC000006492100 556091791 /nfs/dbraw/zinc/09/17/91/556091791.db2.gz IFKBEFPQEZBSBY-UHFFFAOYSA-N 0 0 430.917 2.668 50 0 IFAARN CCOC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@@H]1c1ccccc1Cl ZINC000006544910 556093774 /nfs/dbraw/zinc/09/37/74/556093774.db2.gz MEEYKWWKAAHSRV-GWCFXTLKSA-N 0 0 436.917 2.909 50 0 IFAARN CCOC(=O)[C@H](C)Oc1cccc2c1ccn(CC(=O)NCc1ccc(F)cc1)c2=O ZINC000002712352 556125652 /nfs/dbraw/zinc/12/56/52/556125652.db2.gz BGAAFMPMYBBQHT-HNNXBMFYSA-N 0 0 426.444 2.787 50 0 IFAARN COc1ccccc1-n1c(=O)c2c(nc1SCC(=O)Nc1nnc(C)s1)CCS2 ZINC000002719811 556126024 /nfs/dbraw/zinc/12/60/24/556126024.db2.gz CSZGPJWKOHCPKJ-UHFFFAOYSA-N 0 0 447.567 2.780 50 0 aggregator IFAARN O=C(CS(=O)(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCOCC1 ZINC000002722272 556128009 /nfs/dbraw/zinc/12/80/09/556128009.db2.gz XEQLEJOYFXRZGE-UHFFFAOYSA-N 0 0 432.929 2.976 50 0 IFAARN COC(=O)c1ccnn1CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1 ZINC000002740466 556132841 /nfs/dbraw/zinc/13/28/41/556132841.db2.gz BAHFUXBHAXDUFX-UHFFFAOYSA-N 0 0 444.904 2.680 50 0 IFAARN Cc1c(Br)c(C(F)F)nn1CC(=O)NCCn1cc(Br)cn1 ZINC000002781541 556138122 /nfs/dbraw/zinc/13/81/22/556138122.db2.gz ROFJDZXZYBLPFL-UHFFFAOYSA-N 0 0 441.074 2.667 50 0 IFAARN CCn1cc(NC(=O)CCn2cc(Br)c(C)n2)c(C(=O)NCc2ccco2)n1 ZINC000002805023 556143304 /nfs/dbraw/zinc/14/33/04/556143304.db2.gz XDWBVVNNOOYHGK-UHFFFAOYSA-N 0 0 449.309 2.722 50 0 IFAARN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 ZINC000008269566 556155601 /nfs/dbraw/zinc/15/56/01/556155601.db2.gz BWJVBODOTWUTSO-OAHLLOKOSA-N 0 0 425.485 2.835 50 0 IFAARN CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3cccc(OC)c3)CC2=O)cc1 ZINC000008383899 556159710 /nfs/dbraw/zinc/15/97/10/556159710.db2.gz KQAXOMJKMAJWFS-QGZVFWFLSA-N 0 0 425.437 2.651 50 0 IFAARN CC1=C(C(=O)OCCOC(C)C)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000008396099 556163302 /nfs/dbraw/zinc/16/33/02/556163302.db2.gz DJJJYBSLHSBJDE-MRXNPFEDSA-N 0 0 441.278 2.774 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008430356 556170277 /nfs/dbraw/zinc/17/02/77/556170277.db2.gz LLVXHVYLNNWMIL-UHFFFAOYSA-N 0 0 432.586 2.779 50 0 IFAARN COc1ccc(CNC(=O)CSc2nnc(NC(=O)COc3ccccc3)s2)cc1 ZINC000008438393 556174329 /nfs/dbraw/zinc/17/43/29/556174329.db2.gz ZTAYIKNBQJVDIS-UHFFFAOYSA-N 0 0 444.538 2.973 50 0 IFAARN CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000008443450 556178379 /nfs/dbraw/zinc/17/83/79/556178379.db2.gz CBUOVBLYVDWZGQ-CQSZACIVSA-N 0 0 429.292 2.712 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccn3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000008451316 556182270 /nfs/dbraw/zinc/18/22/70/556182270.db2.gz METOQEBONMBLPG-UBXANZILSA-N 0 0 433.533 2.927 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000008454207 556185046 /nfs/dbraw/zinc/18/50/46/556185046.db2.gz UYQOSASERNJBGQ-GTENMVSRSA-N 0 0 441.578 2.815 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2cccnc21 ZINC000008604933 556191624 /nfs/dbraw/zinc/19/16/24/556191624.db2.gz FOANTBHKWTUUCQ-UHFFFAOYSA-N 0 0 440.843 2.500 50 0 IFAARN COc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1 ZINC000008604900 556191665 /nfs/dbraw/zinc/19/16/65/556191665.db2.gz WHKMMPYVAZVFKB-UHFFFAOYSA-N 0 0 448.454 2.701 50 0 IFAARN Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)cc1OCC(=O)NC1CCCCC1 ZINC000008670707 556198273 /nfs/dbraw/zinc/19/82/73/556198273.db2.gz DMORMVRLLXPVOL-MRXNPFEDSA-N 0 0 444.981 2.933 50 0 IFAARN CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1=O ZINC000008844349 556226848 /nfs/dbraw/zinc/22/68/48/556226848.db2.gz AEDMQEZOVGYYPV-GOSISDBHSA-N 0 0 437.521 2.514 50 0 IFAARN CCOc1ccc(CN2c3ccccc3[C@@]3(SC(NC(C)=O)=NN3C(C)=O)C2=O)cc1 ZINC000008843717 556226861 /nfs/dbraw/zinc/22/68/61/556226861.db2.gz WMSLQGPXOIKTDN-JOCHJYFZSA-N 0 0 438.509 2.787 50 0 IFAARN COC(=O)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1 ZINC000008915372 556232494 /nfs/dbraw/zinc/23/24/94/556232494.db2.gz WJJKXBNBEFDEDD-VCBZYWHSSA-N 0 0 440.349 2.716 50 0 IFAARN COc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc(OC)c1OC ZINC000009124099 556248142 /nfs/dbraw/zinc/24/81/42/556248142.db2.gz JOSWFHDRWBQQCX-NRFANRHFSA-N 0 0 439.468 2.736 50 0 IFAARN O=C(NCCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009184095 556250253 /nfs/dbraw/zinc/25/02/53/556250253.db2.gz XMTWSZZUXFWIRN-HNNXBMFYSA-N 0 0 448.545 2.590 50 0 IFAARN Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O ZINC000009190883 556252920 /nfs/dbraw/zinc/25/29/20/556252920.db2.gz RHUHEXGPKCHPRC-KRWDZBQOSA-N 0 0 427.526 2.771 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009190991 556253159 /nfs/dbraw/zinc/25/31/59/556253159.db2.gz ZXKWFMGEAAUGDU-UHFFFAOYSA-N 0 0 445.541 2.945 50 0 IFAARN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000009191168 556253809 /nfs/dbraw/zinc/25/38/09/556253809.db2.gz HAQUIHMLJIJNFQ-HOTGVXAUSA-N 0 0 445.541 2.764 50 0 IFAARN O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009226871 556260691 /nfs/dbraw/zinc/26/06/91/556260691.db2.gz FKPAWTULVQXZKU-UHFFFAOYSA-N 0 0 429.498 2.798 50 0 IFAARN COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)Nc2cccc(Cl)c2)c1 ZINC000009237415 556264513 /nfs/dbraw/zinc/26/45/13/556264513.db2.gz IJTPCSBOHGJHDM-QGZVFWFLSA-N 0 0 446.891 2.718 50 0 IFAARN Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCc2ccccc21 ZINC000009263331 556270205 /nfs/dbraw/zinc/27/02/05/556270205.db2.gz NOCPGQMSARSCHV-UHFFFAOYSA-N 0 0 425.489 2.566 50 0 IFAARN CCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000009288703 556273359 /nfs/dbraw/zinc/27/33/59/556273359.db2.gz RBQOKRHOIGYNKU-OAHLLOKOSA-N 0 0 433.505 2.896 50 0 IFAARN CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 ZINC000009288788 556273473 /nfs/dbraw/zinc/27/34/73/556273473.db2.gz FZCDRDGMSDZIAD-INIZCTEOSA-N 0 0 445.541 2.765 50 0 IFAARN O=S(=O)(c1nc(-c2ccccc2F)oc1N1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000013687698 556277409 /nfs/dbraw/zinc/27/74/09/556277409.db2.gz XODGCCLVIWBOLI-UHFFFAOYSA-N 0 0 446.456 2.921 50 0 IFAARN COc1ccc2[nH]c(C(=O)N[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc2c1OC ZINC000013690905 556280476 /nfs/dbraw/zinc/28/04/76/556280476.db2.gz IWPHATCOYKFHCI-LBPRGKRZSA-N 0 0 425.441 2.713 50 0 IFAARN CC(C)N1C(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2OCc2ccccc2)C1=O ZINC000013692316 556282077 /nfs/dbraw/zinc/28/20/77/556282077.db2.gz QUUBSASSOJPLST-UHFFFAOYSA-N 0 0 431.514 2.693 50 0 IFAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000097637766 556284055 /nfs/dbraw/zinc/28/40/55/556284055.db2.gz OGILSLWVJZSOHK-LEWJYISDSA-N 0 0 442.487 2.558 50 0 IFAARN CC[C@@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N(c1ccccc1)S(C)(=O)=O ZINC000013711292 556284143 /nfs/dbraw/zinc/28/41/43/556284143.db2.gz SBNATTBOHHNXCI-IBGZPJMESA-N 0 0 442.541 2.668 50 0 IFAARN COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1OC ZINC000009380299 556287227 /nfs/dbraw/zinc/28/72/27/556287227.db2.gz SAKMJRLYVPELEG-BXWFABGCSA-N 0 0 442.365 2.947 50 0 IFAARN CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc(F)c1 ZINC000009392361 556287506 /nfs/dbraw/zinc/28/75/06/556287506.db2.gz OBWJVBAFUXNTDX-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN O=C(Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c1=O)N1CCOCC1 ZINC000013719427 556288664 /nfs/dbraw/zinc/28/86/64/556288664.db2.gz FZQOKAUSQZAZCR-UHFFFAOYSA-N 0 0 436.493 2.614 50 0 IFAARN O=S1(=O)C[C@H]2N=C(SCCCOc3ccccc3)N(c3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000013720757 556289723 /nfs/dbraw/zinc/28/97/23/556289723.db2.gz QFZOQAOCVZSNJP-QZTJIDSGSA-N 0 0 446.550 2.959 50 0 IFAARN CN1C(=O)CN(c2ccc(S(=O)(=O)N3CCCC3)cc2OCc2ccccc2F)C1=O ZINC000013722293 556290883 /nfs/dbraw/zinc/29/08/83/556290883.db2.gz ODVQGNCFAZJDBU-UHFFFAOYSA-N 0 0 447.488 2.588 50 0 IFAARN CC(C)[C@@]1(C)NC(c2nc3ccccc3cc2C(=O)N2CCC3(CC2)OCCO3)=NC1=O ZINC000013729707 556294732 /nfs/dbraw/zinc/29/47/32/556294732.db2.gz ILEABXXYFFKJAZ-HSZRJFAPSA-N 0 0 436.512 2.505 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000009525816 556296086 /nfs/dbraw/zinc/29/60/86/556296086.db2.gz LAXAPXIUHBVJAJ-UHFFFAOYSA-N 0 0 432.498 2.608 50 0 IFAARN Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c1 ZINC000009525913 556296687 /nfs/dbraw/zinc/29/66/87/556296687.db2.gz MJLVZOFWBOGLQW-MRXNPFEDSA-N 0 0 443.887 2.632 50 0 IFAARN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 ZINC000009526000 556296704 /nfs/dbraw/zinc/29/67/04/556296704.db2.gz XJVYCAZMRQBWST-KRWDZBQOSA-N 0 0 436.464 2.874 50 0 IFAARN CC(C)N1C(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2OCc2ccccc2F)C1=O ZINC000013735863 556297453 /nfs/dbraw/zinc/29/74/53/556297453.db2.gz YPSOIUGOVDSTLX-UHFFFAOYSA-N 0 0 449.504 2.832 50 0 IFAARN CCn1c(CC(=O)Nc2nccs2)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 ZINC000009583097 556301068 /nfs/dbraw/zinc/30/10/68/556301068.db2.gz PMDBYRKAKHOBQP-SNVBAGLBSA-N 0 0 437.576 2.820 50 0 IFAARN C[C@H]1CCc2c(sc3ncn(CC(=O)NC[C@H]4COc5ccccc5O4)c(=O)c32)C1 ZINC000032736386 556306212 /nfs/dbraw/zinc/30/62/12/556306212.db2.gz WXYDNHADYYXZDK-KBPBESRZSA-N 0 0 425.510 2.539 50 0 IFAARN COc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032736711 556306883 /nfs/dbraw/zinc/30/68/83/556306883.db2.gz FLJFUHOPKKKNAG-CQSZACIVSA-N 0 0 443.481 2.681 50 0 IFAARN COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1C[C@@H]1CCCO1 ZINC000009830423 556311007 /nfs/dbraw/zinc/31/10/07/556311007.db2.gz SNOILDGZAASXAS-AWEZNQCLSA-N 0 0 426.498 2.710 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCCCCC2)C1 ZINC000009830760 556311632 /nfs/dbraw/zinc/31/16/32/556311632.db2.gz IGNRJLOUTFIRBH-CALCHBBNSA-N 0 0 449.573 2.664 50 0 IFAARN CC1CCN(C(=O)Cn2c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3oc2=O)CC1 ZINC000009830781 556311642 /nfs/dbraw/zinc/31/16/42/556311642.db2.gz SZHGPTJCKAKDSZ-IAGOWNOFSA-N 0 0 449.573 2.520 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c2ncccc2c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000009830922 556311878 /nfs/dbraw/zinc/31/18/78/556311878.db2.gz RRBBOFGRVQVBOE-UHFFFAOYSA-N 0 0 444.491 2.952 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2cccnc21 ZINC000009830935 556311959 /nfs/dbraw/zinc/31/19/59/556311959.db2.gz MDRWSJRLUBQMMQ-UHFFFAOYSA-N 0 0 448.454 2.783 50 0 IFAARN COc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 ZINC000009830953 556311966 /nfs/dbraw/zinc/31/19/66/556311966.db2.gz JHEYOEKXQKVKBZ-UHFFFAOYSA-N 0 0 430.464 2.562 50 0 IFAARN COc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3ccc(C)cc3)c2=O)cc1 ZINC000009831007 556312310 /nfs/dbraw/zinc/31/23/10/556312310.db2.gz NESXFGMKAGYHTI-UHFFFAOYSA-N 0 0 430.464 2.562 50 0 IFAARN Cc1nc(SCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(C(N)=O)c(C)c1C ZINC000032752693 556313529 /nfs/dbraw/zinc/31/35/29/556313529.db2.gz RGVPFOSXGUXIEY-UHFFFAOYSA-N 0 0 437.529 2.825 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OC ZINC000009856721 556314258 /nfs/dbraw/zinc/31/42/58/556314258.db2.gz VIBCTXVOIMVBOU-NRFANRHFSA-N 0 0 444.484 2.582 50 0 IFAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(F)cc1 ZINC000032744968 556314539 /nfs/dbraw/zinc/31/45/39/556314539.db2.gz OZYIMSHRKWNGHA-NRFANRHFSA-N 0 0 433.549 2.889 50 0 IFAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 ZINC000032745452 556315308 /nfs/dbraw/zinc/31/53/08/556315308.db2.gz DXKBUZNGROZARD-UHFFFAOYSA-N 0 0 433.461 2.511 50 0 IFAARN CCOc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000013841355 556317882 /nfs/dbraw/zinc/31/78/82/556317882.db2.gz MTOJCRGXCJBKDI-UHFFFAOYSA-N 0 0 435.571 2.797 50 0 IFAARN C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000032759351 556319095 /nfs/dbraw/zinc/31/90/95/556319095.db2.gz GPZYNFKEXAJXFN-HNNXBMFYSA-N 0 0 439.940 2.663 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)cc1OC ZINC000065059566 556319703 /nfs/dbraw/zinc/31/97/03/556319703.db2.gz OSRCIJAJCIOWAQ-JOCHJYFZSA-N 0 0 432.542 2.811 50 0 IFAARN CCCCNC(=O)CN1CCN(CC(=O)c2cc(C)n(Cc3cccs3)c2C)CC1 ZINC000032759642 556320154 /nfs/dbraw/zinc/32/01/54/556320154.db2.gz KUCWUUHIQFMUTB-UHFFFAOYSA-N 0 0 430.618 2.931 50 0 IFAARN CCc1nn2c(nc(CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)cc2=O)s1 ZINC000032759943 556320190 /nfs/dbraw/zinc/32/01/90/556320190.db2.gz QSWZYGOAGBXKJV-UHFFFAOYSA-N 0 0 438.479 2.840 50 0 IFAARN O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000032760753 556321460 /nfs/dbraw/zinc/32/14/60/556321460.db2.gz GJGDQKPNTRZCLF-FQEVSTJZSA-N 0 0 425.916 2.929 50 0 IFAARN COc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)NC(C)(C)C)n2C)C(C)C)cc1 ZINC000013858109 556321618 /nfs/dbraw/zinc/32/16/18/556321618.db2.gz GFKFWOVAGRTRML-KRWDZBQOSA-N 0 0 433.578 2.958 50 0 IFAARN COc1ccc(CN(C)C(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 ZINC000013858196 556322059 /nfs/dbraw/zinc/32/20/59/556322059.db2.gz FEHZXNZLIZWLMH-UHFFFAOYSA-N 0 0 441.347 2.882 50 0 IFAARN O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000010076286 556325055 /nfs/dbraw/zinc/32/50/55/556325055.db2.gz PUCHOUPQRPKMFN-UHFFFAOYSA-N 0 0 436.555 2.710 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)NC(=O)N[C@@H]1c1ccco1 ZINC000032776519 556326518 /nfs/dbraw/zinc/32/65/18/556326518.db2.gz INWAIPXFPOTPSH-FUHWJXTLSA-N 0 0 446.843 2.651 50 0 IFAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2N(C)C)cc1 ZINC000013893538 556327817 /nfs/dbraw/zinc/32/78/17/556327817.db2.gz SKSLYUVPTZQWPF-SFHVURJKSA-N 0 0 428.514 2.511 50 0 IFAARN O=C(NCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000013894038 556328273 /nfs/dbraw/zinc/32/82/73/556328273.db2.gz KOYMJEVSOMMNOV-UHFFFAOYSA-N 0 0 449.338 2.506 50 0 IFAARN COc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O ZINC000013893805 556328361 /nfs/dbraw/zinc/32/83/61/556328361.db2.gz ZRHAXJDSOFMINL-UHFFFAOYSA-N 0 0 441.399 2.755 50 0 IFAARN COc1ccc([C@H]2c3c(-c4ccc(OC)c(OC)c4)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010297098 556330161 /nfs/dbraw/zinc/33/01/61/556330161.db2.gz DVKICZDRHONFLL-IBGZPJMESA-N 0 0 433.428 2.556 50 0 IFAARN CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1 ZINC000032764758 556331928 /nfs/dbraw/zinc/33/19/28/556331928.db2.gz KPBGOBZNEQBAEE-UHFFFAOYSA-N 0 0 447.557 2.937 50 0 IFAARN NC(=O)CCN(C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000032768999 556333509 /nfs/dbraw/zinc/33/35/09/556333509.db2.gz BNQYUJYRSSKKBJ-LJQANCHMSA-N 0 0 427.476 2.642 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)C(C)C)cc1 ZINC000032769070 556333992 /nfs/dbraw/zinc/33/39/92/556333992.db2.gz WEVKJWUCKBEFBM-JOCHJYFZSA-N 0 0 443.569 2.741 50 0 IFAARN CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(Br)s1 ZINC000008694313 556340493 /nfs/dbraw/zinc/34/04/93/556340493.db2.gz FGLPPEJNDKWGHU-OEUWWYETSA-N 0 0 433.320 2.677 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)/C(=C\c2cccc(OC)c2OC)n2ccccc2=O)C1 ZINC000013944039 556340986 /nfs/dbraw/zinc/34/09/86/556340986.db2.gz WVQCLEZSTWIQFP-CMAIMYMYSA-N 0 0 440.496 2.665 50 0 IFAARN O=c1[nH]c(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)nc2ccccc21 ZINC000013945004 556342324 /nfs/dbraw/zinc/34/23/24/556342324.db2.gz YWCJJGVPUCAAJL-UHFFFAOYSA-N 0 0 434.525 2.628 50 0 IFAARN C[C@@H](Sc1nnc(CN2CCOCC2)n1-c1ccccc1)C(=O)Nc1nccs1 ZINC000013945811 556343005 /nfs/dbraw/zinc/34/30/05/556343005.db2.gz SUMBHVSOGHNTAN-CQSZACIVSA-N 0 0 430.559 2.675 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc(C)c(F)c2F)cc1C ZINC000011662674 556343895 /nfs/dbraw/zinc/34/38/95/556343895.db2.gz OYRBVRAVWYBJHW-GOSISDBHSA-N 0 0 431.483 2.597 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1 ZINC000013992406 556353175 /nfs/dbraw/zinc/35/31/75/556353175.db2.gz MDAFYYXTWKZXSZ-UHFFFAOYSA-N 0 0 443.503 2.731 50 0 IFAARN COCc1c(C(=O)NCCc2ccncc2)cnn1-c1nccc(-c2ccccc2OC)n1 ZINC000011786342 556353448 /nfs/dbraw/zinc/35/34/48/556353448.db2.gz SYZHJCNJOJMWDU-UHFFFAOYSA-N 0 0 444.495 2.852 50 0 IFAARN COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)N(Cc1ccccc1)C[C@@H]1CCC(=O)N1)C2 ZINC000011786608 556353553 /nfs/dbraw/zinc/35/35/53/556353553.db2.gz CBPADZFLWWKSJX-RXVVDRJESA-N 0 0 437.540 2.586 50 0 IFAARN C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000011788194 556354554 /nfs/dbraw/zinc/35/45/54/556354554.db2.gz WMHPQSNKHSKAFM-INIZCTEOSA-N 0 0 441.482 2.871 50 0 IFAARN C[C@H](NC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1)c1ccccc1 ZINC000011816434 556359143 /nfs/dbraw/zinc/35/91/43/556359143.db2.gz LSXDFXHFVHPNFM-KRWDZBQOSA-N 0 0 431.558 2.827 50 0 IFAARN Cc1ccnn1-c1ccc(C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 ZINC000014066376 556359237 /nfs/dbraw/zinc/35/92/37/556359237.db2.gz BXXKUOUBJPNDRX-FQEVSTJZSA-N 0 0 441.557 2.626 50 0 IFAARN CCn1c(SCC(=O)N2CCN(C(=O)C3CC3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000014083455 556363290 /nfs/dbraw/zinc/36/32/90/556363290.db2.gz HLWHRZLNSNHWES-UHFFFAOYSA-N 0 0 433.965 2.791 50 0 IFAARN Cc1ccc(-c2cc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c3ccccc3n2)o1 ZINC000014083494 556363312 /nfs/dbraw/zinc/36/33/12/556363312.db2.gz ZFVFAHUSKFPYHD-KRWDZBQOSA-N 0 0 439.537 2.748 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000032797292 556363961 /nfs/dbraw/zinc/36/39/61/556363961.db2.gz JCCHWKQYPNDVJS-AWEZNQCLSA-N 0 0 446.901 2.926 50 0 IFAARN Cc1cc(C)c(NC(=O)CNC(=O)CNC(=O)c2ccccc2Br)c(C)c1 ZINC000014084121 556364039 /nfs/dbraw/zinc/36/40/39/556364039.db2.gz FARKRDDGBQTTKP-UHFFFAOYSA-N 0 0 432.318 2.859 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)NCCNC(=O)c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000032803050 556365398 /nfs/dbraw/zinc/36/53/98/556365398.db2.gz RLRLMBFCXUBQGS-UHFFFAOYSA-N 0 0 446.910 2.943 50 0 IFAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 ZINC000014094702 556366561 /nfs/dbraw/zinc/36/65/61/556366561.db2.gz RAVULOIOQTWILU-HSZRJFAPSA-N 0 0 440.475 2.713 50 0 IFAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F ZINC000011859225 556367785 /nfs/dbraw/zinc/36/77/85/556367785.db2.gz KYIWLCVIVOVHDH-WDMOLILDSA-N 0 0 425.201 2.575 50 0 IFAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000011858317 556367899 /nfs/dbraw/zinc/36/78/99/556367899.db2.gz CLEMFYZXSFCTMS-UHFFFAOYSA-N 0 0 434.417 2.573 50 0 IFAARN Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC000011870796 556369039 /nfs/dbraw/zinc/36/90/39/556369039.db2.gz WVCSYTUACGTPIO-ISKFKSNPSA-N 0 0 432.528 2.967 50 0 IFAARN COc1ccc(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)c(C)c1 ZINC000011873815 556370261 /nfs/dbraw/zinc/37/02/61/556370261.db2.gz BCOVBXTUARXATQ-AWEZNQCLSA-N 0 0 425.938 2.983 50 0 IFAARN O=C(NCc1nnc2n1CCC2)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000011878813 556371333 /nfs/dbraw/zinc/37/13/33/556371333.db2.gz GUVTVXXOCNFLQG-SFHVURJKSA-N 0 0 443.555 2.703 50 0 IFAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CN(c2ccccc2C)S(C)(=O)=O)c(C)c1 ZINC000014119121 556371486 /nfs/dbraw/zinc/37/14/86/556371486.db2.gz VUUZNZRBZCWUFJ-UHFFFAOYSA-N 0 0 431.558 2.783 50 0 IFAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 ZINC000014128940 556373798 /nfs/dbraw/zinc/37/37/98/556373798.db2.gz YXNYPCSBJRIYCT-JTQLQIEISA-N 0 0 435.980 2.512 50 0 IFAARN Cc1ccccc1[C@@]1(CC(=O)N2CCCC[C@@H]2CO)CC(=O)N(Cc2ccccc2)C1=O ZINC000011909148 556374256 /nfs/dbraw/zinc/37/42/56/556374256.db2.gz QYPRADZMHSPECT-QFQXNSOFSA-N 0 0 434.536 2.955 50 0 IFAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000014136792 556375460 /nfs/dbraw/zinc/37/54/60/556375460.db2.gz OGWYVQXAGZNCQQ-GJZGRUSLSA-N 0 0 431.514 2.695 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000014162053 556378683 /nfs/dbraw/zinc/37/86/83/556378683.db2.gz SXEOVLNXWCYPKW-HXUWFJFHSA-N 0 0 449.294 2.759 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000014166748 556379857 /nfs/dbraw/zinc/37/98/57/556379857.db2.gz HVEZLMIIDFMJFE-DEOSSOPVSA-N 0 0 432.480 2.536 50 0 IFAARN C[C@@H](Cn1cccn1)C(=O)N1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000011956021 556380644 /nfs/dbraw/zinc/38/06/44/556380644.db2.gz CTRYDAYZKCHHRC-KRWDZBQOSA-N 0 0 426.517 2.948 50 0 IFAARN O=C(C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)N1CCCC[C@@H]1CO ZINC000011964338 556381447 /nfs/dbraw/zinc/38/14/47/556381447.db2.gz STAHAKFEWOPUFQ-WZONZLPQSA-N 0 0 426.538 2.709 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ncnc3sccc32)C1=O ZINC000014170713 556381609 /nfs/dbraw/zinc/38/16/09/556381609.db2.gz VNGZQOAXNZBBSV-IBGZPJMESA-N 0 0 427.511 2.672 50 0 IFAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000014181051 556382554 /nfs/dbraw/zinc/38/25/54/556382554.db2.gz VCKZOTHLMKUFHP-UHFFFAOYSA-N 0 0 436.468 2.751 50 0 IFAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccccc2-c2ccccc2)c(=O)[nH]c1=O ZINC000014180972 556382596 /nfs/dbraw/zinc/38/25/96/556382596.db2.gz YBSYRCOSSYFLMI-UHFFFAOYSA-N 0 0 436.512 2.879 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000014184571 556384546 /nfs/dbraw/zinc/38/45/46/556384546.db2.gz OJHBUMBRUZEMID-KRWDZBQOSA-N 0 0 429.904 2.770 50 0 IFAARN COc1ccc(C(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c2ccc(OC)cc2)cc1 ZINC000014197305 556388866 /nfs/dbraw/zinc/38/88/66/556388866.db2.gz AQDVWZPNVMAVAN-DEOSSOPVSA-N 0 0 437.496 2.630 50 0 IFAARN O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000014198290 556389723 /nfs/dbraw/zinc/38/97/23/556389723.db2.gz FBWWOIXTHJWKOI-HSZRJFAPSA-N 0 0 432.476 2.729 50 0 IFAARN O=C(CCn1cnc2ccccc2c1=O)Nc1cc2c(cc1Br)OCCO2 ZINC000014198347 556389752 /nfs/dbraw/zinc/38/97/52/556389752.db2.gz DPRZWYBFZMAGIY-UHFFFAOYSA-N 0 0 430.258 2.959 50 0 IFAARN CC[C@H](C)C(=O)N1CCC([C@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 ZINC000012035953 556389788 /nfs/dbraw/zinc/38/97/88/556389788.db2.gz VUVOYCWYNHDHQQ-WNSKOXEYSA-N 0 0 431.533 2.799 50 0 IFAARN C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(-n2cncn2)cc1 ZINC000014198967 556389983 /nfs/dbraw/zinc/38/99/83/556389983.db2.gz QCLBAZPGSZQEBJ-QGZVFWFLSA-N 0 0 449.536 2.918 50 0 IFAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014200573 556391027 /nfs/dbraw/zinc/39/10/27/556391027.db2.gz DAAZYDZNFQCUHP-GJZGRUSLSA-N 0 0 444.586 2.960 50 0 IFAARN COCCCC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(OC)c(C)c2C)CC1 ZINC000012049970 556392112 /nfs/dbraw/zinc/39/21/12/556392112.db2.gz XXXKJQXEWPXNGP-JOCHJYFZSA-N 0 0 445.604 2.668 50 0 IFAARN CC(C)CN1C[C@@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1=O ZINC000032809356 556394058 /nfs/dbraw/zinc/39/40/58/556394058.db2.gz DPTHHTYPWQZNFK-HNNXBMFYSA-N 0 0 426.344 2.782 50 0 IFAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1Cc1ccccn1 ZINC000032809659 556394432 /nfs/dbraw/zinc/39/44/32/556394432.db2.gz JOFXIHZAJBWRGP-UHFFFAOYSA-N 0 0 438.553 2.695 50 0 IFAARN O=C(c1cccc(OC(F)F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000014229327 556396412 /nfs/dbraw/zinc/39/64/12/556396412.db2.gz NKBCWXBOXLFCTM-UHFFFAOYSA-N 0 0 436.480 2.923 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000014233802 556398832 /nfs/dbraw/zinc/39/88/32/556398832.db2.gz PKSNHCBRZWQYJY-QFBILLFUSA-N 0 0 437.496 2.872 50 0 IFAARN C[C@@H](OC(=O)c1csc(-c2ccccc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000014236956 556399741 /nfs/dbraw/zinc/39/97/41/556399741.db2.gz XMCCSAVAELEPCK-GFCCVEGCSA-N 0 0 431.495 2.642 50 0 IFAARN CCn1c(=O)c(C(=O)CN2CCC[C@H]2c2cccs2)c(N)n(Cc2ccccc2)c1=O ZINC000014240912 556401568 /nfs/dbraw/zinc/40/15/68/556401568.db2.gz HRLSOFHTHVEXSR-KRWDZBQOSA-N 0 0 438.553 2.742 50 0 IFAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1cccs1 ZINC000014241097 556401604 /nfs/dbraw/zinc/40/16/04/556401604.db2.gz DEDXCQNVINJZEO-UHFFFAOYSA-N 0 0 432.976 2.959 50 0 IFAARN C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000014242201 556402606 /nfs/dbraw/zinc/40/26/06/556402606.db2.gz HZXFTRMLWJWNDX-MGPLVRAMSA-N 0 0 439.453 2.871 50 0 IFAARN O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000014242839 556403427 /nfs/dbraw/zinc/40/34/27/556403427.db2.gz UCNPYFGLLLNOFJ-HXUWFJFHSA-N 0 0 428.510 2.648 50 0 IFAARN COc1ccccc1CN1C[C@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)CCC1=O ZINC000012429240 556404257 /nfs/dbraw/zinc/40/42/57/556404257.db2.gz PKTYAIKJBMMFPF-HXUWFJFHSA-N 0 0 435.524 2.877 50 0 IFAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000014244773 556404335 /nfs/dbraw/zinc/40/43/35/556404335.db2.gz VSWSSNIDSRZNBA-UHFFFAOYSA-N 0 0 428.510 2.943 50 0 IFAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(C(=O)c2cccs2)CC1 ZINC000014244626 556404369 /nfs/dbraw/zinc/40/43/69/556404369.db2.gz PPQMALTYRBYWHX-SFHVURJKSA-N 0 0 441.553 2.641 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nnnn2C2CCCC2)cc1 ZINC000014247835 556407505 /nfs/dbraw/zinc/40/75/05/556407505.db2.gz CIJIIUKPCAGLNA-ZDUSSCGKSA-N 0 0 438.579 2.594 50 0 IFAARN COc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c1 ZINC000014251404 556409083 /nfs/dbraw/zinc/40/90/83/556409083.db2.gz WKGXINIJIRNMLU-FQEVSTJZSA-N 0 0 446.301 2.541 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@H](O)COc2cccc3ccccc32)C1=O ZINC000014252299 556409549 /nfs/dbraw/zinc/40/95/49/556409549.db2.gz KSUHBKILNBSIML-AVRWGWEMSA-N 0 0 448.475 2.818 50 0 IFAARN CC[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccccc1 ZINC000014255095 556410662 /nfs/dbraw/zinc/41/06/62/556410662.db2.gz OXWMTMXPMNSDSY-KRWDZBQOSA-N 0 0 432.542 2.640 50 0 IFAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1 ZINC000032826775 556411108 /nfs/dbraw/zinc/41/11/08/556411108.db2.gz UIXQOWDRSUKPDS-UHFFFAOYSA-N 0 0 425.411 2.979 50 0 IFAARN O=C(Nc1ccc(N2CCCCC2)nc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000032826796 556411141 /nfs/dbraw/zinc/41/11/41/556411141.db2.gz SLACCTBFTFRJIE-UHFFFAOYSA-N 0 0 429.546 2.506 50 0 IFAARN Cn1c(=O)c2cc(C(=O)Nc3ccccc3N3CCc4ccccc43)cnc2n(C)c1=O ZINC000032827445 556411450 /nfs/dbraw/zinc/41/14/50/556411450.db2.gz QJMQOEBJXPXJTL-UHFFFAOYSA-N 0 0 427.464 2.579 50 0 IFAARN CC(C)(C)NC(=O)NC(=O)COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000004371952 556412046 /nfs/dbraw/zinc/41/20/46/556412046.db2.gz PGULMORFOFALEM-SFHVURJKSA-N 0 0 425.485 2.715 50 0 IFAARN O=C(c1ccc2c(c1)NC(=O)CS2)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000014421717 556415569 /nfs/dbraw/zinc/41/55/69/556415569.db2.gz FMBCFYFGTVFMPM-UHFFFAOYSA-N 0 0 441.538 2.800 50 0 IFAARN CCCNC(=O)[C@@H]1CN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc2O1 ZINC000032678562 556415906 /nfs/dbraw/zinc/41/59/06/556415906.db2.gz GVLZTTFCNMKQRR-QFIPXVFZSA-N 0 0 448.523 2.724 50 0 IFAARN COc1ccc(CC(=O)N2CCCc3cc(C)ccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000014423313 556415963 /nfs/dbraw/zinc/41/59/63/556415963.db2.gz LNQTYRFEIOTLDY-UHFFFAOYSA-N 0 0 444.553 2.546 50 0 IFAARN O=C(NCCc1ccccn1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000032676095 556415975 /nfs/dbraw/zinc/41/59/75/556415975.db2.gz VHQISLXTJHTGNN-UHFFFAOYSA-N 0 0 427.570 2.720 50 0 IFAARN O=c1c(Cl)c(N2CCC3(CC2)OCCO3)cnn1CCOc1ccc(Cl)cc1 ZINC000032829567 556416108 /nfs/dbraw/zinc/41/61/08/556416108.db2.gz BJEHCMZQPIDJKP-UHFFFAOYSA-N 0 0 426.300 2.972 50 0 IFAARN O=C(CCNC(=O)c1ccc(F)cc1F)NCC(=O)Nc1ccccc1Br ZINC000012940132 556416513 /nfs/dbraw/zinc/41/65/13/556416513.db2.gz JVASCXYIFQTSSR-UHFFFAOYSA-N 0 0 440.244 2.602 50 0 IFAARN COc1cccc([C@@]2(C)NC(=O)N(C[C@H](O)COc3ccc(Br)cc3)C2=O)c1 ZINC000012942733 556417290 /nfs/dbraw/zinc/41/72/90/556417290.db2.gz NBAASMAHDVNFBZ-MGPUTAFESA-N 0 0 449.301 2.665 50 0 IFAARN CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000032833621 556417953 /nfs/dbraw/zinc/41/79/53/556417953.db2.gz PWDODSKMLZQDNW-UHFFFAOYSA-N 0 0 427.442 2.787 50 0 IFAARN CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1CN1CCC[C@H](C(N)=O)C1 ZINC000032836043 556418144 /nfs/dbraw/zinc/41/81/44/556418144.db2.gz QMSVLIUFCJGZPQ-KRWDZBQOSA-N 0 0 449.621 2.564 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000022932683 556418583 /nfs/dbraw/zinc/41/85/83/556418583.db2.gz VOPDEDZYKIRZLZ-SJLPKXTDSA-N 0 0 440.510 2.956 50 0 IFAARN C[NH+]1CCN(c2ccc(NC(=O)c3nn(-c4ccccc4C(F)(F)F)cc3[O-])cn2)CC1 ZINC000014521138 556419802 /nfs/dbraw/zinc/41/98/02/556419802.db2.gz TWIWCSXSWWZOHB-UHFFFAOYSA-N 0 0 446.433 2.996 50 0 IFAARN O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012975124 556420873 /nfs/dbraw/zinc/42/08/73/556420873.db2.gz AFJUKSLDRXDDJQ-UHFFFAOYSA-N 0 0 436.917 2.648 50 0 IFAARN CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1c(F)cccc1Cl ZINC000012975137 556421046 /nfs/dbraw/zinc/42/10/46/556421046.db2.gz QAYSMBOLGBEGSZ-GOSISDBHSA-N 0 0 439.940 2.953 50 0 IFAARN COc1cccc(CO[C@H]2CN(C(=O)c3c[nH]cn3)CC(=O)N(CCc3ccccc3)C2)c1 ZINC000014533075 556421578 /nfs/dbraw/zinc/42/15/78/556421578.db2.gz ZZQKTVMERAIOGI-JOCHJYFZSA-N 0 0 448.523 2.531 50 0 IFAARN CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)[C@@H]2COc3ccccc3C2)CC1=O ZINC000014533098 556421662 /nfs/dbraw/zinc/42/16/62/556421662.db2.gz JDYLOOBSIMBIJG-FCHUYYIVSA-N 0 0 437.540 2.545 50 0 IFAARN Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)n2)cc1 ZINC000012976060 556421842 /nfs/dbraw/zinc/42/18/42/556421842.db2.gz QJZUCHZQBYYDID-UHFFFAOYSA-N 0 0 434.468 2.830 50 0 IFAARN Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N2C1 ZINC000014533277 556421864 /nfs/dbraw/zinc/42/18/64/556421864.db2.gz BVJKEKFBYVJVHY-WDSOQIARSA-N 0 0 444.894 2.620 50 0 IFAARN Cc1ccn(CCC(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3cccc(F)c3)C2)n1 ZINC000014534241 556422501 /nfs/dbraw/zinc/42/25/01/556422501.db2.gz GGRCFJUMPJJOFO-OAQYLSRUSA-N 0 0 430.524 2.633 50 0 IFAARN CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)c2coc3c2C(=O)CCC3)CC1=O ZINC000014534636 556422818 /nfs/dbraw/zinc/42/28/18/556422818.db2.gz GRKHOISGYFYPFG-GOSISDBHSA-N 0 0 439.512 2.719 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000012980600 556424190 /nfs/dbraw/zinc/42/41/90/556424190.db2.gz LVSNORZOJQGVOU-UHFFFAOYSA-N 0 0 431.334 2.857 50 0 IFAARN CC(C)c1cc(C(=O)N2CC(=O)N(Cc3cccnc3)C[C@H](OCc3ccccc3)C2)[nH]n1 ZINC000014538499 556424395 /nfs/dbraw/zinc/42/43/95/556424395.db2.gz FVNZQOCJZSKHTE-NRFANRHFSA-N 0 0 447.539 2.998 50 0 IFAARN CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)CCC(=O)c2ccccc2)CC1=O ZINC000014538551 556424638 /nfs/dbraw/zinc/42/46/38/556424638.db2.gz YGLJUWHDFCEJAC-QFIPXVFZSA-N 0 0 437.540 2.957 50 0 IFAARN CCOc1ccc(NCc2cc(=O)n3ccsc3n2)cc1S(=O)(=O)N1CCCCC1 ZINC000032679661 556425071 /nfs/dbraw/zinc/42/50/71/556425071.db2.gz HWWQKFBVPIPOGX-UHFFFAOYSA-N 0 0 448.570 2.941 50 0 IFAARN Cc1nc(CN2C[C@@H](OCc3ccccn3)CN(C(=O)[C@H]3CC=CCC3)CC2=O)cs1 ZINC000014541664 556425813 /nfs/dbraw/zinc/42/58/13/556425813.db2.gz FBJDRBFETQRYLF-GHTZIAJQSA-N 0 0 440.569 2.959 50 0 IFAARN CC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000012984735 556426005 /nfs/dbraw/zinc/42/60/05/556426005.db2.gz CNTDERBHFFKEEB-UHFFFAOYSA-N 0 0 435.933 2.882 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000012985441 556426489 /nfs/dbraw/zinc/42/64/89/556426489.db2.gz YGYNRCWHDJXQOE-FQEVSTJZSA-N 0 0 428.554 2.894 50 0 IFAARN COc1ccccc1N1CCN(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)CC1 ZINC000032843790 556428933 /nfs/dbraw/zinc/42/89/33/556428933.db2.gz IAWIACCGFICMBH-IBGZPJMESA-N 0 0 430.574 2.662 50 0 IFAARN CCn1c2ccccc2n(CC(=O)NCC(=O)Nc2ccc(Br)cc2C)c1=O ZINC000012993537 556429383 /nfs/dbraw/zinc/42/93/83/556429383.db2.gz PMSLUPTWILBGNT-UHFFFAOYSA-N 0 0 445.317 2.649 50 0 IFAARN O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012993530 556429395 /nfs/dbraw/zinc/42/93/95/556429395.db2.gz NUZQTSOXOJKBHE-UHFFFAOYSA-N 0 0 430.917 2.672 50 0 IFAARN CCn1c2ccccc2n(CC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1=O ZINC000032847991 556430672 /nfs/dbraw/zinc/43/06/72/556430672.db2.gz QJVFBKWJFGQQGG-UHFFFAOYSA-N 0 0 447.461 2.976 50 0 IFAARN CS(=O)(=O)NC1CCN(CC(=O)Nc2ccccc2SCc2ccccc2)CC1 ZINC000012998529 556432286 /nfs/dbraw/zinc/43/22/86/556432286.db2.gz BVNRGDVAGKMHCG-UHFFFAOYSA-N 0 0 433.599 2.931 50 0 IFAARN O=C(Nc1ccc(I)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000013001052 556433106 /nfs/dbraw/zinc/43/31/06/556433106.db2.gz CWHVUOWCORNRQA-UHFFFAOYSA-N 0 0 442.278 2.984 50 0 IFAARN COc1ccc([C@H]2CCCN2c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c(OC)c1 ZINC000032856023 556433386 /nfs/dbraw/zinc/43/33/86/556433386.db2.gz BCLYVHXLZLDPAR-QGZVFWFLSA-N 0 0 439.555 2.852 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000032856053 556433683 /nfs/dbraw/zinc/43/36/83/556433683.db2.gz IECLJYXZLMTDLE-RUZDIDTESA-N 0 0 446.507 2.691 50 0 IFAARN CCCCN(C(=O)COC(=O)c1ccc2c3c(cccc31)CC2)[C@H]1CCS(=O)(=O)C1 ZINC000014703023 556433865 /nfs/dbraw/zinc/43/38/65/556433865.db2.gz BAALADWPQJUFSR-SFHVURJKSA-N 0 0 429.538 2.911 50 0 IFAARN O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000032857872 556434142 /nfs/dbraw/zinc/43/41/42/556434142.db2.gz PBJBRDBQAQPFHY-UHFFFAOYSA-N 0 0 442.431 2.560 50 0 IFAARN CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CCS(=O)(=O)C2 ZINC000014709398 556435098 /nfs/dbraw/zinc/43/50/98/556435098.db2.gz RWKYRCCJCCOFBU-UHFFFAOYSA-N 0 0 427.475 2.552 50 0 IFAARN O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000014705838 556435183 /nfs/dbraw/zinc/43/51/83/556435183.db2.gz GXNALKAGDOHEHT-OAQYLSRUSA-N 0 0 438.480 2.932 50 0 IFAARN Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000014731272 556436710 /nfs/dbraw/zinc/43/67/10/556436710.db2.gz UFRDUEOICGQXMD-UHFFFAOYSA-N 0 0 438.495 2.665 50 0 IFAARN CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1ccc[n+]([O-])c1)CC2 ZINC000014742478 556439386 /nfs/dbraw/zinc/43/93/86/556439386.db2.gz IWVCOQPZVRIYCQ-UHFFFAOYSA-N 0 0 434.496 2.525 50 0 IFAARN Cc1ccc(NC(=O)CN2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000013031646 556442930 /nfs/dbraw/zinc/44/29/30/556442930.db2.gz ZVLFFMCQUKCUDU-SFHVURJKSA-N 0 0 449.598 2.853 50 0 IFAARN Cc1ccc(NC(=O)CN2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000013031644 556443024 /nfs/dbraw/zinc/44/30/24/556443024.db2.gz ZVLFFMCQUKCUDU-GOSISDBHSA-N 0 0 449.598 2.853 50 0 IFAARN O=S(=O)(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(F)cc1Cl ZINC000028058975 556443193 /nfs/dbraw/zinc/44/31/93/556443193.db2.gz MAERUIZDVDYNSQ-UHFFFAOYSA-N 0 0 438.955 2.804 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)c1C ZINC000013038993 556444758 /nfs/dbraw/zinc/44/47/58/556444758.db2.gz RHHARKFGKDBQIR-OAHLLOKOSA-N 0 0 442.468 2.596 50 0 IFAARN COc1ccccc1COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000013039240 556445091 /nfs/dbraw/zinc/44/50/91/556445091.db2.gz MTOWAVNLMOTEFK-UHFFFAOYSA-N 0 0 431.514 2.508 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004547072 556445161 /nfs/dbraw/zinc/44/51/61/556445161.db2.gz QZHIYGGERXDICJ-GXSYWRQXSA-N 0 0 426.557 3.000 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC=C(c4ccccc4)CC3)CC2)cc1 ZINC000013040364 556446316 /nfs/dbraw/zinc/44/63/16/556446316.db2.gz AKHFAYWITYKUDS-UHFFFAOYSA-N 0 0 439.581 2.617 50 0 IFAARN C[C@@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1CCCc2ccccc21 ZINC000032860349 556447209 /nfs/dbraw/zinc/44/72/09/556447209.db2.gz FMPRJSSESWYPKG-MRXNPFEDSA-N 0 0 428.510 2.751 50 0 IFAARN CCCCn1c2nc(CCC(=O)NCc3ccc(C)cc3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000013041598 556447931 /nfs/dbraw/zinc/44/79/31/556447931.db2.gz SCIGDQMGIZYJGV-UHFFFAOYSA-N 0 0 439.560 2.900 50 0 IFAARN CC(C)N(C(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(C)C ZINC000013056461 556448749 /nfs/dbraw/zinc/44/87/49/556448749.db2.gz PRFOVWCLPZAJGO-UHFFFAOYSA-N 0 0 435.512 2.657 50 0 IFAARN COCCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000032868727 556449256 /nfs/dbraw/zinc/44/92/56/556449256.db2.gz SIKICURJKFGFEM-HNNXBMFYSA-N 0 0 444.509 2.829 50 0 IFAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccccc1I ZINC000028327659 556452405 /nfs/dbraw/zinc/45/24/05/556452405.db2.gz NJMPUUWCXBZCGS-NSHDSACASA-N 0 0 444.294 2.772 50 0 IFAARN CCC(=O)[C@H]1CCCN(C(=O)CC[C@@]2(Cc3ccc(OC)c(OC)c3)CCC(=O)N2)C1 ZINC000014879576 556452823 /nfs/dbraw/zinc/45/28/23/556452823.db2.gz QBVFVJBCVSLFFZ-MHECFPHRSA-N 0 0 430.545 2.893 50 0 IFAARN CCn1c(-c2ccco2)nn(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1=S ZINC000013069555 556452883 /nfs/dbraw/zinc/45/28/83/556452883.db2.gz IKRYUBKWBHXHRJ-UHFFFAOYSA-N 0 0 447.586 2.966 50 0 IFAARN CC(C)C[C@H](C(=O)OCC(=O)N1CCC(c2ccccc2)=N1)N1C(=O)c2ccccc2C1=O ZINC000013070943 556453433 /nfs/dbraw/zinc/45/34/33/556453433.db2.gz PAMZZAHADWIZMV-OAQYLSRUSA-N 0 0 447.491 2.877 50 0 IFAARN Cn1c(-c2ccccc2)nn(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1=S ZINC000013071862 556453683 /nfs/dbraw/zinc/45/36/83/556453683.db2.gz JDJXGCMGCIMNPE-UHFFFAOYSA-N 0 0 447.561 2.721 50 0 IFAARN CC1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)oc2=S)CC1 ZINC000013072665 556454022 /nfs/dbraw/zinc/45/40/22/556454022.db2.gz YTKCQJVUTKLKBE-UHFFFAOYSA-N 0 0 438.575 2.583 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000013074733 556454966 /nfs/dbraw/zinc/45/49/66/556454966.db2.gz LGQGCXZJFSVCGX-UHFFFAOYSA-N 0 0 441.889 2.905 50 0 IFAARN CSCC[C@H](C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)N1C(=O)c2ccccc2C1=O ZINC000028471964 556455407 /nfs/dbraw/zinc/45/54/07/556455407.db2.gz LQCUFJLJUWXCSI-WTLGNFPFSA-N 0 0 446.569 2.888 50 0 IFAARN Cc1ccc2nc(CN3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)cn2c1 ZINC000013096163 556456897 /nfs/dbraw/zinc/45/68/97/556456897.db2.gz PHQVACFIVUJKHH-UHFFFAOYSA-N 0 0 449.374 2.912 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)nc1 ZINC000032869554 556457563 /nfs/dbraw/zinc/45/75/63/556457563.db2.gz GHVJHZUZCVWPLD-UHFFFAOYSA-N 0 0 438.981 2.623 50 0 IFAARN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013097279 556457878 /nfs/dbraw/zinc/45/78/78/556457878.db2.gz IGHKKTQMLJVTOO-RBUKOAKNSA-N 0 0 427.570 2.500 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000013097463 556458359 /nfs/dbraw/zinc/45/83/59/556458359.db2.gz XZBLJWJQAXVKNZ-OAHLLOKOSA-N 0 0 444.509 2.995 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000014909856 556458399 /nfs/dbraw/zinc/45/83/99/556458399.db2.gz XFGOURVTAYZVOK-GOSISDBHSA-N 0 0 445.585 2.525 50 0 IFAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CNC(=O)C1CCOCC1)CC2 ZINC000072277415 556458508 /nfs/dbraw/zinc/45/85/08/556458508.db2.gz GRCSLEQFBRVRPQ-JOCHJYFZSA-N 0 0 444.553 2.782 50 0 IFAARN CN(C)C(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000013097838 556458526 /nfs/dbraw/zinc/45/85/26/556458526.db2.gz RFHHQVVDULZVDM-UHFFFAOYSA-N 0 0 445.324 2.717 50 0 IFAARN O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1Cl ZINC000013097835 556458576 /nfs/dbraw/zinc/45/85/76/556458576.db2.gz JTYDTEYRCUNMBU-UHFFFAOYSA-N 0 0 449.287 2.983 50 0 IFAARN CCc1ccc(N2C[C@@H](C(=O)NCc3nnc4ccc(C(F)(F)F)cn43)CC2=O)cc1 ZINC000028719499 556459517 /nfs/dbraw/zinc/45/95/17/556459517.db2.gz IUWCGMQBJBCPJK-AWEZNQCLSA-N 0 0 431.418 2.980 50 0 IFAARN CC(C)C[C@H](C(=O)N1CCC(c2nnc3ccccn32)CC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000028736123 556460092 /nfs/dbraw/zinc/46/00/92/556460092.db2.gz JIOWSVRWVNPHDT-HSALFYBXSA-N 0 0 449.555 2.801 50 0 IFAARN O=C(CNC(=O)c1cccc(Br)c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000028736778 556460104 /nfs/dbraw/zinc/46/01/04/556460104.db2.gz VDBMFNJKKQJGCY-UHFFFAOYSA-N 0 0 442.317 2.628 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N3CCCCCC3)CC1)O[C@@H](C)C(=O)N2 ZINC000032958908 556461320 /nfs/dbraw/zinc/46/13/20/556461320.db2.gz AHGCTUGWHIDRSG-INIZCTEOSA-N 0 0 449.573 2.518 50 0 IFAARN COc1ccc(NC(=O)c2cccc3cccnc32)cc1S(=O)(=O)N1CCOCC1 ZINC000013108024 556461653 /nfs/dbraw/zinc/46/16/53/556461653.db2.gz AFOJREYPYXVLTM-UHFFFAOYSA-N 0 0 427.482 2.517 50 0 IFAARN COc1ccc(N[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cc1S(=O)(=O)N(C)C ZINC000028853260 556462810 /nfs/dbraw/zinc/46/28/10/556462810.db2.gz AMWZGYVZGGMAMO-CQSZACIVSA-N 0 0 445.541 2.538 50 0 IFAARN O=C(CCn1cc(Br)ccc1=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000072281727 556463032 /nfs/dbraw/zinc/46/30/32/556463032.db2.gz SWBMEFFXMOFIPH-HNNXBMFYSA-N 0 0 432.318 2.878 50 0 IFAARN CCOC(=O)CCNC(=O)N1CCC[C@@](Cc2ccc(F)cc2F)(C(=O)OCC)C1 ZINC000014958375 556463160 /nfs/dbraw/zinc/46/31/60/556463160.db2.gz KSMJPAMVDDGKNQ-NRFANRHFSA-N 0 0 426.460 2.815 50 0 IFAARN Cc1cc(NC(=O)[C@H](Sc2nnc(C3CC3)n2CCC(N)=O)c2ccccc2)no1 ZINC000028910401 556463732 /nfs/dbraw/zinc/46/37/32/556463732.db2.gz DZHIKXDHYVQSGP-QGZVFWFLSA-N 0 0 426.502 2.799 50 0 IFAARN Cc1cc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2CCC(N)=O)c2ccccc2)no1 ZINC000028910396 556463837 /nfs/dbraw/zinc/46/38/37/556463837.db2.gz DZHIKXDHYVQSGP-KRWDZBQOSA-N 0 0 426.502 2.799 50 0 IFAARN CCC(=O)N(c1nnc(SCC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)s1)C1CC1 ZINC000013112784 556465913 /nfs/dbraw/zinc/46/59/13/556465913.db2.gz MGMOKNSNUPJCEK-UHFFFAOYSA-N 0 0 448.530 2.621 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c(OC)c1 ZINC000029067731 556466299 /nfs/dbraw/zinc/46/62/99/556466299.db2.gz VHZMRKBOVCRCCD-KSSFIOAISA-N 0 0 436.505 2.873 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 ZINC000013114617 556467144 /nfs/dbraw/zinc/46/71/44/556467144.db2.gz RSFIPZBYBNHYLQ-UHFFFAOYSA-N 0 0 441.962 2.882 50 0 IFAARN COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)C2=C(C)OCCO2)CC1 ZINC000014972179 556467263 /nfs/dbraw/zinc/46/72/63/556467263.db2.gz FGMNLWVNQJBFOT-UHFFFAOYSA-N 0 0 426.473 2.586 50 0 IFAARN NC(=O)Cn1c(CSc2nnc(C3CC3)n2Cc2ccccc2)nc2ccccc2c1=O ZINC000013115829 556468321 /nfs/dbraw/zinc/46/83/21/556468321.db2.gz DFHVTKUBQPTERF-UHFFFAOYSA-N 0 0 446.536 2.691 50 0 IFAARN CCOC(=O)c1ccsc1NC(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000029144074 556468426 /nfs/dbraw/zinc/46/84/26/556468426.db2.gz MBYWTAQPADBULW-UHFFFAOYSA-N 0 0 431.562 2.907 50 0 IFAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c(C)n1Cc1cccs1 ZINC000013116088 556468588 /nfs/dbraw/zinc/46/85/88/556468588.db2.gz SRCRPHPVXHKQCB-UHFFFAOYSA-N 0 0 425.466 2.981 50 0 IFAARN CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@H](c3c(F)cccc3Cl)N(C)C)ccc21 ZINC000013116912 556468916 /nfs/dbraw/zinc/46/89/16/556468916.db2.gz BTPLMGXJZZYTJY-QGZVFWFLSA-N 0 0 432.883 2.535 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2c3ccccc3nc3c2C[C@@H](C)CC3)C[C@H](C)O1 ZINC000029184547 556469558 /nfs/dbraw/zinc/46/95/58/556469558.db2.gz BTCQWFSEEYQFFK-YESZJQIVSA-N 0 0 445.585 2.528 50 0 IFAARN O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000029232425 556470601 /nfs/dbraw/zinc/47/06/01/556470601.db2.gz FOBFNGBAIHDYSH-RTWAWAEBSA-N 0 0 438.528 2.530 50 0 IFAARN CCCn1c2nc(C(C)C)nc(SCCC(=O)NC3CCCCC3)c2c(=O)n(C)c1=O ZINC000032870897 556471292 /nfs/dbraw/zinc/47/12/92/556471292.db2.gz WHGPYYJSQOTILS-UHFFFAOYSA-N 0 0 447.605 2.955 50 0 IFAARN COCCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000029268577 556471323 /nfs/dbraw/zinc/47/13/23/556471323.db2.gz OYXPHUFLPVGWBZ-UHFFFAOYSA-N 0 0 442.541 2.507 50 0 IFAARN O=C(COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)N1CCc2ccccc2C1 ZINC000011047827 556471609 /nfs/dbraw/zinc/47/16/09/556471609.db2.gz SOGQEXUWRAIUTQ-UHFFFAOYSA-N 0 0 442.537 2.603 50 0 IFAARN COc1ccc(S(=O)(=O)NCCNC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 ZINC000029322458 556472400 /nfs/dbraw/zinc/47/24/00/556472400.db2.gz RNZRCUGWZLYMEM-UHFFFAOYSA-N 0 0 445.463 2.534 50 0 IFAARN C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013120673 556472595 /nfs/dbraw/zinc/47/25/95/556472595.db2.gz UEHKUSLXRHGRAU-OAHLLOKOSA-N 0 0 449.602 2.908 50 0 IFAARN CCCN1CCN(C(=O)[C@H]2Cc3nc(NC(=O)c4cccs4)sc3C(=O)C2)CC1 ZINC000014987802 556473242 /nfs/dbraw/zinc/47/32/42/556473242.db2.gz CSDRDMCVWHHVSS-ZDUSSCGKSA-N 0 0 432.571 2.756 50 0 IFAARN O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)N(Cc1ccccc1F)C1CC1 ZINC000013121047 556473532 /nfs/dbraw/zinc/47/35/32/556473532.db2.gz DXFKLKGXENMJBT-UHFFFAOYSA-N 0 0 427.476 2.998 50 0 IFAARN CCc1ccc([C@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2cccs2)cc1 ZINC000029429320 556475016 /nfs/dbraw/zinc/47/50/16/556475016.db2.gz SUDPVTDDXQNGSX-IBGZPJMESA-N 0 0 434.521 2.776 50 0 IFAARN Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cnn1-c1cccc(C)c1 ZINC000029462273 556475777 /nfs/dbraw/zinc/47/57/77/556475777.db2.gz FVFGDABVBSMPMT-UHFFFAOYSA-N 0 0 440.525 2.762 50 0 IFAARN O=C(CCSc1ccc(S(=O)(=O)N2CCOCC2)cn1)Nc1ccc2c(c1)CCC2 ZINC000032871185 556476138 /nfs/dbraw/zinc/47/61/38/556476138.db2.gz WIIFISXNELABBW-UHFFFAOYSA-N 0 0 447.582 2.712 50 0 IFAARN CC[C@H](C)[C@H](NC1CCN(c2ccc(C(=O)N3CCN(CC)CC3)cc2)CC1)C(=O)OC ZINC000014994497 556476898 /nfs/dbraw/zinc/47/68/98/556476898.db2.gz GAQVPNZQWIHBIW-CVDCTZTESA-N 0 0 444.620 2.610 50 0 IFAARN NC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000013128021 556477121 /nfs/dbraw/zinc/47/71/21/556477121.db2.gz OUDUUEKWKHFMLR-OAHLLOKOSA-N 0 0 449.964 2.804 50 0 IFAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)N3CC[C@@H](C)Sc4ccccc43)C2=O)cc1 ZINC000013128574 556477802 /nfs/dbraw/zinc/47/78/02/556477802.db2.gz JVFYWISVQVZRPR-CQSZACIVSA-N 0 0 439.493 2.908 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nnnn1CCc1cccs1)CC2 ZINC000029556687 556477896 /nfs/dbraw/zinc/47/78/96/556477896.db2.gz BQJMPIAMUBOQQB-UHFFFAOYSA-N 0 0 445.570 2.672 50 0 IFAARN NC(=O)C1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CC1 ZINC000015002751 556480410 /nfs/dbraw/zinc/48/04/10/556480410.db2.gz INMMQFYBJKGBPK-UHFFFAOYSA-N 0 0 442.523 2.643 50 0 IFAARN COc1ccccc1N1C[C@H](C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)CC1=O ZINC000013133826 556481341 /nfs/dbraw/zinc/48/13/41/556481341.db2.gz LNGUHJDOQGOSFL-OAHLLOKOSA-N 0 0 448.483 2.611 50 0 IFAARN COc1ccccc1N1C[C@@H](C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)CC1=O ZINC000013133825 556481397 /nfs/dbraw/zinc/48/13/97/556481397.db2.gz LNGUHJDOQGOSFL-HNNXBMFYSA-N 0 0 448.483 2.611 50 0 IFAARN O=C(CSc1nnc(Cc2ccccc2)o1)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000013134041 556481781 /nfs/dbraw/zinc/48/17/81/556481781.db2.gz URIBGNCOTCYBJL-UHFFFAOYSA-N 0 0 436.415 2.925 50 0 IFAARN O=C(c1ccc(Br)cc1F)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000029834202 556483785 /nfs/dbraw/zinc/48/37/85/556483785.db2.gz TXBFQXPLZDUPRC-UHFFFAOYSA-N 0 0 445.292 2.554 50 0 IFAARN COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000029864680 556484526 /nfs/dbraw/zinc/48/45/26/556484526.db2.gz SEGUEZXNIKDWDO-UHFFFAOYSA-N 0 0 436.917 2.689 50 0 IFAARN C[C@@H](c1nnc(SCC(=O)Nc2ccccc2O)n1C)N1C(=O)COc2ccccc21 ZINC000015019121 556487449 /nfs/dbraw/zinc/48/74/49/556487449.db2.gz UTZULAKGGPTOAP-ZDUSSCGKSA-N 0 0 439.497 2.738 50 0 IFAARN COc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCOCC2)cc1 ZINC000029993398 556488541 /nfs/dbraw/zinc/48/85/41/556488541.db2.gz KGOYATRMTQLMTA-OFNKIYASSA-N 0 0 437.540 2.546 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccnc(N2CCCC2)c1 ZINC000030012638 556489252 /nfs/dbraw/zinc/48/92/52/556489252.db2.gz GBYJXUSCMURLRK-UHFFFAOYSA-N 0 0 442.585 2.715 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCC2 ZINC000013148298 556489688 /nfs/dbraw/zinc/48/96/88/556489688.db2.gz VESFLNJPFDGEBI-CYBMUJFWSA-N 0 0 436.555 2.980 50 0 IFAARN CN(C)c1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cn1 ZINC000030117660 556490729 /nfs/dbraw/zinc/49/07/29/556490729.db2.gz BFURNGLUSZZQDC-UHFFFAOYSA-N 0 0 439.335 2.603 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000030174535 556491316 /nfs/dbraw/zinc/49/13/16/556491316.db2.gz KOUYXSCKZVGVLO-CYBMUJFWSA-N 0 0 436.262 2.528 50 0 IFAARN O=C(NCc1ccc(Cn2ccnc2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000030220861 556491678 /nfs/dbraw/zinc/49/16/78/556491678.db2.gz SNWHMLVWNDJLJB-UHFFFAOYSA-N 0 0 444.582 2.710 50 0 IFAARN CCN(C[C@@H]1CCCO1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000015065086 556492375 /nfs/dbraw/zinc/49/23/75/556492375.db2.gz UKAMZWZBCFSQKV-KRWDZBQOSA-N 0 0 444.981 2.784 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@](C)(c3cc4ccccc4o3)C1=O)OCO2 ZINC000030345796 556492888 /nfs/dbraw/zinc/49/28/88/556492888.db2.gz SBKINOJKSJJSJZ-HSZRJFAPSA-N 0 0 449.419 2.770 50 0 IFAARN O=C(Cn1c2ccccc2nc1SC(F)F)NCc1cccnc1N1CCOCC1 ZINC000030311430 556492985 /nfs/dbraw/zinc/49/29/85/556492985.db2.gz MVGAEHAWDRWYAP-UHFFFAOYSA-N 0 0 433.484 2.899 50 0 IFAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000013163588 556493955 /nfs/dbraw/zinc/49/39/55/556493955.db2.gz KJXIRKBALBNSBW-QKFKETGDSA-N 0 0 439.468 2.651 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000030479881 556495186 /nfs/dbraw/zinc/49/51/86/556495186.db2.gz BFNSNCJJDVIJDP-UHFFFAOYSA-N 0 0 447.582 2.950 50 0 IFAARN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CN2C(=O)CSC2=O)C1 ZINC000015071758 556496641 /nfs/dbraw/zinc/49/66/41/556496641.db2.gz GNVKHSDXLYRLKI-HXUWFJFHSA-N 0 0 438.933 2.750 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000011068527 556497009 /nfs/dbraw/zinc/49/70/09/556497009.db2.gz LCKUFXJVNHQJMO-GFCCVEGCSA-N 0 0 434.418 2.738 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCn4c5ccccc5nc43)C2)s1 ZINC000030661992 556501031 /nfs/dbraw/zinc/50/10/31/556501031.db2.gz IIRLUCAZMWXIFC-HNNXBMFYSA-N 0 0 430.555 2.854 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCn2c3ccccc3nc21 ZINC000030661338 556501073 /nfs/dbraw/zinc/50/10/73/556501073.db2.gz COQBWCZHAPLYPG-UHFFFAOYSA-N 0 0 446.479 2.762 50 0 IFAARN CN1CCN(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1 ZINC000013425445 556505614 /nfs/dbraw/zinc/50/56/14/556505614.db2.gz VYLLMKKOISMOLN-UHFFFAOYSA-N 0 0 429.443 2.672 50 0 IFAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCNC(=O)c2ccsc2)CC1 ZINC000032882120 556508505 /nfs/dbraw/zinc/50/85/05/556508505.db2.gz CYUBHJJQIIDQGL-LJQANCHMSA-N 0 0 449.960 2.580 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)c1 ZINC000013495685 556509129 /nfs/dbraw/zinc/50/91/29/556509129.db2.gz JNJJCRXZITXGME-UHFFFAOYSA-N 0 0 431.514 2.755 50 0 IFAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000032883039 556509597 /nfs/dbraw/zinc/50/95/97/556509597.db2.gz AFPPPAIAOIQHAZ-UHFFFAOYSA-N 0 0 428.464 2.784 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C)c2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000032889185 556511715 /nfs/dbraw/zinc/51/17/15/556511715.db2.gz XNCTWAUSUWSCOR-VLIAUNLRSA-N 0 0 434.514 2.604 50 0 IFAARN COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O ZINC000013532931 556512652 /nfs/dbraw/zinc/51/26/52/556512652.db2.gz NZMOMACAYKXTPC-UHFFFAOYSA-N 0 0 435.402 2.857 50 0 IFAARN Cc1cc(=O)c(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)nn1-c1ccc(Cl)cc1 ZINC000030876919 556514237 /nfs/dbraw/zinc/51/42/37/556514237.db2.gz LGQCPFBLRGNNFC-UHFFFAOYSA-N 0 0 440.887 2.822 50 0 IFAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000032895613 556515199 /nfs/dbraw/zinc/51/51/99/556515199.db2.gz RYMPTARTYBKJGT-HUUCEWRRSA-N 0 0 440.997 2.987 50 0 IFAARN COc1ccc(CN(C)[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1OC ZINC000015298089 556516478 /nfs/dbraw/zinc/51/64/78/556516478.db2.gz LTTBTXVKVDATDH-LBPRGKRZSA-N 0 0 439.434 2.696 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000030943617 556516613 /nfs/dbraw/zinc/51/66/13/556516613.db2.gz WKWCLBMNPZTOQJ-SFHVURJKSA-N 0 0 437.905 2.854 50 0 IFAARN CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000030942627 556516654 /nfs/dbraw/zinc/51/66/54/556516654.db2.gz DSKSTDZVDJSFFY-IBGZPJMESA-N 0 0 445.541 2.771 50 0 IFAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)no1 ZINC000032898908 556517112 /nfs/dbraw/zinc/51/71/12/556517112.db2.gz OSHMANZWQYIQBN-CQSZACIVSA-N 0 0 431.514 2.870 50 0 IFAARN O=C(Cc1cccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000015316245 556518905 /nfs/dbraw/zinc/51/89/05/556518905.db2.gz CMYOISRXJJHFCT-UHFFFAOYSA-N 0 0 435.571 2.550 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000013566300 556519106 /nfs/dbraw/zinc/51/91/06/556519106.db2.gz VAACTKVUDNIEAJ-UHFFFAOYSA-N 0 0 431.514 2.837 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000015321773 556521011 /nfs/dbraw/zinc/52/10/11/556521011.db2.gz ROAPKHTXSCRELL-UHFFFAOYSA-N 0 0 427.457 2.666 50 0 IFAARN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000013568384 556521264 /nfs/dbraw/zinc/52/12/64/556521264.db2.gz JDSPCTPAMAXXMN-UHFFFAOYSA-N 0 0 433.555 2.547 50 0 IFAARN Cc1ccc(/C=C2\SC(=O)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000013573584 556523727 /nfs/dbraw/zinc/52/37/27/556523727.db2.gz XSRYDZWLLDURSQ-ATVHPVEESA-N 0 0 445.522 2.708 50 0 IFAARN COc1cc2c(cc1OC)CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)CC2 ZINC000013573517 556523752 /nfs/dbraw/zinc/52/37/52/556523752.db2.gz HASFYLVAANDRTB-UHFFFAOYSA-N 0 0 427.892 2.935 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@H]4c2cccc(O)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000013573750 556523994 /nfs/dbraw/zinc/52/39/94/556523994.db2.gz ZVKWZBOZIZDKEE-QFIPXVFZSA-N 0 0 433.464 2.540 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@@H]4c2cccc(O)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000013573754 556524040 /nfs/dbraw/zinc/52/40/40/556524040.db2.gz ZVKWZBOZIZDKEE-JOCHJYFZSA-N 0 0 433.464 2.540 50 0 IFAARN COc1ccc2cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCCO)c(Cl)nc2c1 ZINC000013576335 556526266 /nfs/dbraw/zinc/52/62/66/556526266.db2.gz MSFZOZGUBGLPRC-UNOMPAQXSA-N 0 0 425.872 2.776 50 0 IFAARN COc1ccc(CN(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000013577107 556526735 /nfs/dbraw/zinc/52/67/35/556526735.db2.gz RDHGPTMNXYTOSW-UHFFFAOYSA-N 0 0 440.477 2.662 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCC3=O)cc2)c1 ZINC000015421371 556527053 /nfs/dbraw/zinc/52/70/53/556527053.db2.gz LAIYRSQPOVDRDW-UHFFFAOYSA-N 0 0 429.542 2.847 50 0 IFAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CN(C)C[C@@H]1COc2ccccc2O1 ZINC000015447081 556528496 /nfs/dbraw/zinc/52/84/96/556528496.db2.gz YENRKHQNXZDTPI-MRXNPFEDSA-N 0 0 444.557 2.756 50 0 IFAARN COC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CCCCC1 ZINC000032900520 556529488 /nfs/dbraw/zinc/52/94/88/556529488.db2.gz GZOKHACHFHEPRT-IAGOWNOFSA-N 0 0 436.574 2.959 50 0 IFAARN O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCC[C@@H](C(F)(F)F)C1 ZINC000032721289 556531740 /nfs/dbraw/zinc/53/17/40/556531740.db2.gz CJHWLTSEXMFDQN-GFCCVEGCSA-N 0 0 440.871 2.775 50 0 IFAARN CCCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c12 ZINC000013607541 556533314 /nfs/dbraw/zinc/53/33/14/556533314.db2.gz PKAFMNGRPDYQKC-UHFFFAOYSA-N 0 0 430.482 2.719 50 0 IFAARN CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCc2ccccc2)c1=O)COC(C)(C)C3 ZINC000013607634 556533608 /nfs/dbraw/zinc/53/36/08/556533608.db2.gz MTQUESAFENRREH-UHFFFAOYSA-N 0 0 442.537 2.882 50 0 IFAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCc1cc(=O)n(C)c(=O)n1C ZINC000032901230 556534461 /nfs/dbraw/zinc/53/44/61/556534461.db2.gz HWQYMJUKQPIQJG-UHFFFAOYSA-N 0 0 439.415 2.892 50 0 IFAARN O=C(Nc1ccc(O)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000013623925 556536584 /nfs/dbraw/zinc/53/65/84/556536584.db2.gz FZWIMWNARPJVMD-INIZCTEOSA-N 0 0 443.525 2.558 50 0 IFAARN COc1cc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC ZINC000015598564 556536792 /nfs/dbraw/zinc/53/67/92/556536792.db2.gz VRXGGTDLRHANMC-UHFFFAOYSA-N 0 0 426.466 2.549 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 ZINC000015615355 556538361 /nfs/dbraw/zinc/53/83/61/556538361.db2.gz XOXMVQCSZFWZNQ-GOSISDBHSA-N 0 0 430.526 2.927 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cc(C)nc3onc(-c4ccc5c(c4)OCO5)c32)CC1 ZINC000013641257 556542256 /nfs/dbraw/zinc/54/22/56/556542256.db2.gz SDIXPOFOUHMXKG-UHFFFAOYSA-N 0 0 438.440 2.841 50 0 IFAARN CCOC(=O)[C@@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@@H](C)CC ZINC000072303257 556546997 /nfs/dbraw/zinc/54/69/97/556546997.db2.gz ZIIXXBUBSGENLK-GTNSWQLSSA-N 0 0 437.587 2.801 50 0 IFAARN CC(C)(C)OC(=O)CCCCCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000072303187 556547251 /nfs/dbraw/zinc/54/72/51/556547251.db2.gz RYKHAVNPYUAOEF-MRXNPFEDSA-N 0 0 432.517 2.829 50 0 IFAARN CCOCCCNC(=O)[C@H]1CCCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726107 556547395 /nfs/dbraw/zinc/54/73/95/556547395.db2.gz NSFQKXBIECTZGD-KRWDZBQOSA-N 0 0 432.521 2.509 50 0 IFAARN CCOCCCNC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726105 556547514 /nfs/dbraw/zinc/54/75/14/556547514.db2.gz NSFQKXBIECTZGD-QGZVFWFLSA-N 0 0 432.521 2.509 50 0 IFAARN O=C(CSc1nncn1-c1cccc(Cl)c1)N1CCN(Cc2ccccn2)CC1 ZINC000032823281 556547834 /nfs/dbraw/zinc/54/78/34/556547834.db2.gz FTDOSSOQDRKRPD-UHFFFAOYSA-N 0 0 428.949 2.752 50 0 IFAARN O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000072303419 556547867 /nfs/dbraw/zinc/54/78/67/556547867.db2.gz NAMZTELOQCIQSF-CQSZACIVSA-N 0 0 439.419 2.700 50 0 IFAARN Cc1oc(C2CCN([C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)nc1-c1ccccc1 ZINC000072304921 556548857 /nfs/dbraw/zinc/54/88/57/556548857.db2.gz BJHWLLRTXKBNFS-UZLBHIALSA-N 0 0 445.585 2.863 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000072305465 556552944 /nfs/dbraw/zinc/55/29/44/556552944.db2.gz NCAAZENFRVDNRA-QGZVFWFLSA-N 0 0 439.578 2.799 50 0 IFAARN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)c(OC)c1 ZINC000015822704 556554021 /nfs/dbraw/zinc/55/40/21/556554021.db2.gz DUIDBFPWYGJGEV-UHFFFAOYSA-N 0 0 428.894 2.771 50 0 IFAARN COc1ccccc1CNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000015823216 556554248 /nfs/dbraw/zinc/55/42/48/556554248.db2.gz USAZSKOUMYNBFU-UHFFFAOYSA-N 0 0 427.320 2.540 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCOCC3)c2C)cc1 ZINC000013678342 556555534 /nfs/dbraw/zinc/55/55/34/556555534.db2.gz QFTUOCXTGHRTKL-UHFFFAOYSA-N 0 0 431.558 2.556 50 0 IFAARN O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000015859893 556558416 /nfs/dbraw/zinc/55/84/16/556558416.db2.gz YMGOBJJFILQFIY-HNNXBMFYSA-N 0 0 447.285 2.952 50 0 IFAARN O=C(CSc1ccc(C(=O)N2CCCC2)cn1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000032907194 556558693 /nfs/dbraw/zinc/55/86/93/556558693.db2.gz OFSJMLHMQWZDMJ-UHFFFAOYSA-N 0 0 442.497 2.529 50 0 IFAARN C[C@@H](SCCN1C(=O)c2ccccc2S1(=O)=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000011097770 556559766 /nfs/dbraw/zinc/55/97/66/556559766.db2.gz FWIWRQIHHBENNT-LLVKDONJSA-N 0 0 426.466 2.870 50 0 IFAARN O=C(CCSc1nncn1Cc1ccco1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000032907135 556561602 /nfs/dbraw/zinc/56/16/02/556561602.db2.gz ATIDRGGLIITEBM-UHFFFAOYSA-N 0 0 429.458 2.521 50 0 IFAARN COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NCCc2c[nH]c4ccccc24)[C@@H]3C1=O ZINC000015894285 556561925 /nfs/dbraw/zinc/56/19/25/556561925.db2.gz IKGLSQKPYQOTPN-ZGXDEKTJSA-N 0 0 443.503 2.822 50 0 IFAARN COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NCCc2c[nH]c4ccccc24)[C@H]3C1=O ZINC000015894287 556561950 /nfs/dbraw/zinc/56/19/50/556561950.db2.gz IKGLSQKPYQOTPN-QTZVNIFKSA-N 0 0 443.503 2.822 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC(=O)Nc2ccccc21 ZINC000015912336 556563069 /nfs/dbraw/zinc/56/30/69/556563069.db2.gz SAGYYIYGCRSRQC-UHFFFAOYSA-N 0 0 427.526 2.779 50 0 IFAARN COc1cc(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)cc(OC)c1OC ZINC000015913100 556563121 /nfs/dbraw/zinc/56/31/21/556563121.db2.gz HJCUFBZVAHKVCU-UHFFFAOYSA-N 0 0 442.921 2.797 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CCOCC1 ZINC000015919214 556563619 /nfs/dbraw/zinc/56/36/19/556563619.db2.gz PITSVUIDEIBSPA-UHFFFAOYSA-N 0 0 444.431 2.744 50 0 IFAARN O=C(CN1CCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1)NCc1ccccc1 ZINC000032907714 556563688 /nfs/dbraw/zinc/56/36/88/556563688.db2.gz CTNUNKKNTSTJQM-UHFFFAOYSA-N 0 0 443.551 2.565 50 0 IFAARN CCOC(=O)c1c(C)[n-]n2c1nc(CN(CC[NH+](CC)CC)Cc1ccccc1)cc2=O ZINC000072308256 556565866 /nfs/dbraw/zinc/56/58/66/556565866.db2.gz ZZUSVLSBODKCGR-UHFFFAOYSA-N 0 0 439.560 2.852 50 0 IFAARN CSc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 ZINC000015967842 556569687 /nfs/dbraw/zinc/56/96/87/556569687.db2.gz KCSUJLUMFXXGAD-UHFFFAOYSA-N 0 0 433.599 2.617 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccccc2)cc1OC ZINC000000857049 556573348 /nfs/dbraw/zinc/57/33/48/556573348.db2.gz OPSPXLQJFFAWLT-UHFFFAOYSA-N 0 0 444.509 2.804 50 0 IFAARN O=C(CN1CCN(C(=O)c2cccc(OC(F)F)c2)CC1)Nc1ccc(F)cc1F ZINC000032909541 556573870 /nfs/dbraw/zinc/57/38/70/556573870.db2.gz YJYAVLAOTYSZMJ-UHFFFAOYSA-N 0 0 425.382 2.963 50 0 IFAARN CCN1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000019639108 556576127 /nfs/dbraw/zinc/57/61/27/556576127.db2.gz UCHHSIMKTWLFSI-UHFFFAOYSA-N 0 0 443.613 2.967 50 0 IFAARN CCc1cccc(C)c1NC(=O)CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000072311099 556577269 /nfs/dbraw/zinc/57/72/69/556577269.db2.gz KAQGPBTXRUKIBR-UHFFFAOYSA-N 0 0 444.532 2.817 50 0 IFAARN CCOC(=O)c1sc(C)c2c1nnn(CC(=O)c1ccc(Br)cc1)c2=O ZINC000002941129 556578579 /nfs/dbraw/zinc/57/85/79/556578579.db2.gz BRUHXNJUORQVFL-UHFFFAOYSA-N 0 0 436.287 2.984 50 0 aggregator IFAARN CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000016046351 556580168 /nfs/dbraw/zinc/58/01/68/556580168.db2.gz QPJKCESZTHCZNX-XMMPIXPASA-N 0 0 437.496 2.662 50 0 IFAARN C[C@@H](NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1)C12CC3CC(CC(C3)C1)C2 ZINC000016050698 556581093 /nfs/dbraw/zinc/58/10/93/556581093.db2.gz QSKRVUNJERYGKA-XSXQVXRUSA-N 0 0 434.558 2.936 50 0 IFAARN CN(c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032911174 556582177 /nfs/dbraw/zinc/58/21/77/556582177.db2.gz RNSLGMIMAOMROE-SFHVURJKSA-N 0 0 438.933 2.839 50 0 IFAARN COc1cc(C=O)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000016092466 556582473 /nfs/dbraw/zinc/58/24/73/556582473.db2.gz WSIGFKQKSZAOEL-UHFFFAOYSA-N 0 0 428.260 2.996 50 0 IFAARN Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC000016103206 556582976 /nfs/dbraw/zinc/58/29/76/556582976.db2.gz DCZOQJFKSYAJMB-UHFFFAOYSA-N 0 0 430.574 2.729 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CS(=O)(=O)C[C@@H]1CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000238899988 556583442 /nfs/dbraw/zinc/58/34/42/556583442.db2.gz HNRQDGHEHSFNCZ-ROMHJBHXSA-N 0 0 426.623 2.817 50 0 IFAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC2(C(N)=O)CCOCC2)cc1 ZINC000032911544 556584865 /nfs/dbraw/zinc/58/48/65/556584865.db2.gz RZOYPNIPUUZHIZ-UHFFFAOYSA-N 0 0 434.496 2.560 50 0 IFAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1C ZINC000016145507 556585605 /nfs/dbraw/zinc/58/56/05/556585605.db2.gz OJZZEYJITPFOFY-UHFFFAOYSA-N 0 0 429.542 2.928 50 0 IFAARN CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016187621 556587652 /nfs/dbraw/zinc/58/76/52/556587652.db2.gz SYBDVVWEAGUUBV-UHFFFAOYSA-N 0 0 437.565 2.805 50 0 IFAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000036107564 556593173 /nfs/dbraw/zinc/59/31/73/556593173.db2.gz CUYLCQSGTRDVDH-HNNXBMFYSA-N 0 0 437.949 2.682 50 0 IFAARN COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000036370371 556597290 /nfs/dbraw/zinc/59/72/90/556597290.db2.gz QEOXTINKVUWOCT-UHFFFAOYSA-N 0 0 431.558 2.565 50 0 IFAARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OCC)c(OCC(N)=O)cc2Cl)NC(=O)N1 ZINC000016362020 556602906 /nfs/dbraw/zinc/60/29/06/556602906.db2.gz GOZZTSWBHFWXJD-SFHVURJKSA-N 0 0 439.896 2.574 50 0 IFAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032983995 556603292 /nfs/dbraw/zinc/60/32/92/556603292.db2.gz NIUZAZFAORQYKR-FNMPFJKNSA-N 0 0 432.885 2.629 50 0 IFAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983589 556603477 /nfs/dbraw/zinc/60/34/77/556603477.db2.gz RZUAMJCAIJFHPZ-FNMPFJKNSA-N 0 0 432.885 2.629 50 0 IFAARN O=C(COC(=O)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1)Nc1ccccc1 ZINC000032986886 556606754 /nfs/dbraw/zinc/60/67/54/556606754.db2.gz MWRKXDLCFQJEAR-NRFANRHFSA-N 0 0 437.477 2.885 50 0 IFAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(I)ccc1OCC ZINC000016447701 556608076 /nfs/dbraw/zinc/60/80/76/556608076.db2.gz TWGFEPGHBCPNEU-CQSZACIVSA-N 0 0 430.242 2.881 50 0 IFAARN O=S1(=O)CC[C@@H](c2nnc(C3(c4ccc(Br)cc4)CCOCC3)o2)C1 ZINC000072273536 556609531 /nfs/dbraw/zinc/60/95/31/556609531.db2.gz OYOVGDIQICJLIR-GFCCVEGCSA-N 0 0 427.320 2.831 50 0 IFAARN CN1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)CC1 ZINC000038206999 556612423 /nfs/dbraw/zinc/61/24/23/556612423.db2.gz VXTRFHPIUXAXML-CXAGYDPISA-N 0 0 437.422 2.660 50 0 IFAARN CCC(CC)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 ZINC000032915566 556612769 /nfs/dbraw/zinc/61/27/69/556612769.db2.gz CVMOWRBXDNNUKH-JOCHJYFZSA-N 0 0 443.569 2.714 50 0 IFAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000038530876 556613371 /nfs/dbraw/zinc/61/33/71/556613371.db2.gz KKLAGFRCNQRHNM-UHFFFAOYSA-N 0 0 441.479 2.607 50 0 IFAARN O=S(=O)(CCCNS(=O)(=O)c1ccccc1Br)Cc1ccccc1 ZINC000032916429 556615285 /nfs/dbraw/zinc/61/52/85/556615285.db2.gz YITYYJFQLMCPKI-UHFFFAOYSA-N 0 0 432.361 2.733 50 0 IFAARN Cc1cccc(C2N=NC(=S)N2CC(=O)NCCCS(=O)(=O)Cc2ccccc2)c1 ZINC000032916662 556615633 /nfs/dbraw/zinc/61/56/33/556615633.db2.gz UROCZYPDMZDEEY-UHFFFAOYSA-N 0 0 444.582 2.664 50 0 IFAARN COc1ccc(-n2nnnc2-c2cnc(N3[C@H](C)COC[C@@H]3C)nc2C(F)(F)F)cc1 ZINC000016609664 556617301 /nfs/dbraw/zinc/61/73/01/556617301.db2.gz QXRBDLBKKRKMFF-TXEJJXNPSA-N 0 0 435.410 2.760 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000033658602 556619269 /nfs/dbraw/zinc/61/92/69/556619269.db2.gz KCFDDYOQGIYOIQ-UHFFFAOYSA-N 0 0 426.498 2.593 50 0 IFAARN CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1)S(C)(=O)=O ZINC000016651538 556620616 /nfs/dbraw/zinc/62/06/16/556620616.db2.gz TXECDNZZNHZAIA-SFHVURJKSA-N 0 0 445.541 2.634 50 0 IFAARN Cc1ccc(-c2nnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCO4)n2C)cc1 ZINC000016668865 556621570 /nfs/dbraw/zinc/62/15/70/556621570.db2.gz NEDYUNJDIALGHZ-UHFFFAOYSA-N 0 0 425.470 2.960 50 0 IFAARN COC(=O)Cn1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc21 ZINC000033728423 556626788 /nfs/dbraw/zinc/62/67/88/556626788.db2.gz GIYYATHUFLERCZ-ODLFYWEKSA-N 0 0 446.463 2.654 50 0 IFAARN O=C(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000016694744 556628235 /nfs/dbraw/zinc/62/82/35/556628235.db2.gz BWDBTDBHLFBGNX-UHFFFAOYSA-N 0 0 425.441 2.841 50 0 IFAARN CCOC(=O)CN(C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccoc1 ZINC000039437066 556628717 /nfs/dbraw/zinc/62/87/17/556628717.db2.gz ZNTLDUDRDZUVBP-UHFFFAOYSA-N 0 0 431.470 2.923 50 0 IFAARN COC(=O)C[C@@H]1C(=O)NCCN1Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000039468557 556629211 /nfs/dbraw/zinc/62/92/11/556629211.db2.gz GEHSCXFFVBGPDM-OAQYLSRUSA-N 0 0 434.496 2.743 50 0 IFAARN CN(CCOc1ccc(Cl)cc1)CC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000016699263 556629239 /nfs/dbraw/zinc/62/92/39/556629239.db2.gz GLXQWIMSGBEWFJ-UHFFFAOYSA-N 0 0 431.964 2.799 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)s1 ZINC000016708843 556630089 /nfs/dbraw/zinc/63/00/89/556630089.db2.gz JJSWKMOUDNKZFL-UHFFFAOYSA-N 0 0 438.962 2.990 50 0 IFAARN CCOc1ccccc1/C=c1\sc2nc(=O)c(Cc3ccc(Cl)cc3)nn2c1=O ZINC000016735594 556633075 /nfs/dbraw/zinc/63/30/75/556633075.db2.gz ZSGUVVALLKLZSA-PDGQHHTCSA-N 0 0 425.897 2.702 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N[C@@H](C)c3ccccn3)c2=O)cc1 ZINC000097938469 556634985 /nfs/dbraw/zinc/63/49/85/556634985.db2.gz UENWBCBTPVEDEX-KRWDZBQOSA-N 0 0 440.525 2.538 50 0 IFAARN COc1ccc(C)cc1NC(=O)[C@H](C)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719740 556644772 /nfs/dbraw/zinc/64/47/72/556644772.db2.gz RKAPSZHRCQMJNR-HNNXBMFYSA-N 0 0 437.587 2.835 50 0 IFAARN Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3F)CC2)n1 ZINC000016843452 556646595 /nfs/dbraw/zinc/64/65/95/556646595.db2.gz CSCYRVYYAYSXPK-UHFFFAOYSA-N 0 0 448.545 2.900 50 0 IFAARN Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000016843462 556646623 /nfs/dbraw/zinc/64/66/23/556646623.db2.gz NVSRWSQBRXINFQ-UHFFFAOYSA-N 0 0 430.555 2.761 50 0 IFAARN Cc1ccc(-c2cc3c4nn(CC(=O)NCc5ccccc5)c(=O)n4ccn3n2)cc1C ZINC000038487228 556648237 /nfs/dbraw/zinc/64/82/37/556648237.db2.gz YFFXSSQVCYWETI-UHFFFAOYSA-N 0 0 426.480 2.744 50 0 IFAARN O=c1ccc(-c2cccnc2)nn1CCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000011743900 556649854 /nfs/dbraw/zinc/64/98/54/556649854.db2.gz PIWQVZLXMDMAQR-UHFFFAOYSA-N 0 0 425.297 2.591 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2c(C)oc3c2C2=NCCN2C=N3)cc1 ZINC000100696138 556650742 /nfs/dbraw/zinc/65/07/42/556650742.db2.gz ZZYXRXYENRZBSM-UHFFFAOYSA-N 0 0 429.502 2.606 50 0 IFAARN O=C(NCCCc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000011752853 556651109 /nfs/dbraw/zinc/65/11/09/556651109.db2.gz MROQFJBKECKWDI-UHFFFAOYSA-N 0 0 432.571 2.774 50 0 IFAARN O=C(c1ccccc1Br)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000016964212 556651382 /nfs/dbraw/zinc/65/13/82/556651382.db2.gz FPWBDLWIALDGDY-GOSISDBHSA-N 0 0 431.286 2.716 50 0 IFAARN CCN(CC)S(=O)(=O)N1CCN(Cc2csc(Nc3ccccc3F)n2)CC1 ZINC000032925307 556652724 /nfs/dbraw/zinc/65/27/24/556652724.db2.gz FYPZLPXRLQBAHI-UHFFFAOYSA-N 0 0 427.571 2.730 50 0 IFAARN COc1ccccc1OCCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1OC ZINC000032999722 556653158 /nfs/dbraw/zinc/65/31/58/556653158.db2.gz OCCBDNMEKNDKBW-QGZVFWFLSA-N 0 0 432.542 2.751 50 0 IFAARN COc1ccccc1OCCNC(=O)[C@H](CCSC)NC(=O)c1ccccc1OC ZINC000032999723 556653205 /nfs/dbraw/zinc/65/32/05/556653205.db2.gz OCCBDNMEKNDKBW-KRWDZBQOSA-N 0 0 432.542 2.751 50 0 IFAARN CN1OC[C@H](S(=O)(=O)NC[C@H]2CCCO2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000248018174 556657447 /nfs/dbraw/zinc/65/74/47/556657447.db2.gz DSRILZFVIGYOHB-FSSWDIPSSA-N 0 0 432.542 2.651 50 0 IFAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1cnn(C)c1C ZINC000017094499 556657597 /nfs/dbraw/zinc/65/75/97/556657597.db2.gz LZFVQNRSTWOJQM-KRWDZBQOSA-N 0 0 425.518 2.978 50 0 IFAARN O=C([O-])[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1 ZINC000248029135 556657730 /nfs/dbraw/zinc/65/77/30/556657730.db2.gz NTLOSRFHIIJIAF-UJFGGOPNSA-N 0 0 449.551 2.566 50 0 IFAARN C[C@H]1CCc2c(sc(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)c2C(N)=O)C1 ZINC000017097051 556660995 /nfs/dbraw/zinc/66/09/95/556660995.db2.gz MZJKNLUNFCMKCI-AWEZNQCLSA-N 0 0 430.549 2.872 50 0 IFAARN Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000011858118 556663197 /nfs/dbraw/zinc/66/31/97/556663197.db2.gz KNQWAXGDMOIHFR-UHFFFAOYSA-N 0 0 448.444 2.881 50 0 IFAARN CCOc1cc2[nH]c(=O)n(CCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2cc1OCC ZINC000004598125 556664403 /nfs/dbraw/zinc/66/44/03/556664403.db2.gz GZSOLRYZYCKZRE-YQQAZPJKSA-N 0 0 431.533 2.818 50 0 IFAARN CCOC(=O)[C@H](CCc1ccccc1)N(C(=O)C(F)(F)F)[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000044559717 556667001 /nfs/dbraw/zinc/66/70/01/556667001.db2.gz QKGKAQLXEOARHX-HOTGVXAUSA-N 0 0 432.439 2.524 50 0 IFAARN COc1ccc(NC(=O)CSc2nn3c(nnc(C(C)(C)C)c3=O)s2)cc1OC ZINC000017112844 556667801 /nfs/dbraw/zinc/66/78/01/556667801.db2.gz QKTYCIZZHFRVEH-UHFFFAOYSA-N 0 0 435.531 2.592 50 0 IFAARN C[C@@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000017134305 556669077 /nfs/dbraw/zinc/66/90/77/556669077.db2.gz FONRJIHZFIQBQY-CYBMUJFWSA-N 0 0 430.482 2.899 50 0 IFAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000011904995 556670979 /nfs/dbraw/zinc/67/09/79/556670979.db2.gz ZTHPQTBHLUJARV-GFCCVEGCSA-N 0 0 428.919 2.762 50 0 IFAARN CCc1cccc(CC)c1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C ZINC000011906023 556671255 /nfs/dbraw/zinc/67/12/55/556671255.db2.gz TYILKHRSYJIWAE-UHFFFAOYSA-N 0 0 436.555 2.987 50 0 IFAARN C[C@H](C(=O)N1CCc2ccccc21)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000032929935 556673115 /nfs/dbraw/zinc/67/31/15/556673115.db2.gz UHVODCXEKQTCOM-QGZVFWFLSA-N 0 0 426.538 2.815 50 0 IFAARN COc1cccc(C(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000011914211 556673615 /nfs/dbraw/zinc/67/36/15/556673615.db2.gz PARSELTXEHVGGY-ZDUSSCGKSA-N 0 0 428.304 2.880 50 0 IFAARN COc1ccc(Cl)cc1CC(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000032937022 556679055 /nfs/dbraw/zinc/67/90/55/556679055.db2.gz KNJKESURRLVACL-IBGZPJMESA-N 0 0 446.931 2.882 50 0 IFAARN COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCc1ccccc1Cl ZINC000012004622 556680235 /nfs/dbraw/zinc/68/02/35/556680235.db2.gz RNZOHKRNLLAECZ-UHFFFAOYSA-N 0 0 444.962 2.757 50 0 IFAARN COc1cccc(CCNC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)c1 ZINC000012006085 556680509 /nfs/dbraw/zinc/68/05/09/556680509.db2.gz VLUKKETUBDUNIG-CYBMUJFWSA-N 0 0 436.917 2.634 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1 ZINC000033326512 556682491 /nfs/dbraw/zinc/68/24/91/556682491.db2.gz FJUOSANGWWBRNN-HNNXBMFYSA-N 0 0 426.541 2.846 50 0 IFAARN CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021071 556685305 /nfs/dbraw/zinc/68/53/05/556685305.db2.gz TZVYNRIBSSQFMC-MRXNPFEDSA-N 0 0 443.525 2.619 50 0 IFAARN Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021055 556685359 /nfs/dbraw/zinc/68/53/59/556685359.db2.gz SSQCWWCMLOZWIV-MRXNPFEDSA-N 0 0 443.525 2.674 50 0 IFAARN C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000010635267 556686396 /nfs/dbraw/zinc/68/63/96/556686396.db2.gz SPBIBWHKZIVCPK-NSHDSACASA-N 0 0 433.386 2.814 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c1 ZINC000046005244 556689346 /nfs/dbraw/zinc/68/93/46/556689346.db2.gz KDWJZHRZRWBSOP-UHFFFAOYSA-N 0 0 430.420 2.733 50 0 IFAARN CCOc1ccc(-n2ccn3c(C[C@H](C)CC(=O)NCc4ccco4)nnc3c2=O)cc1 ZINC000046005649 556689824 /nfs/dbraw/zinc/68/98/24/556689824.db2.gz ZCFHJVAIBUCULF-INIZCTEOSA-N 0 0 435.484 2.757 50 0 IFAARN COc1cccc(CNC(=O)C[C@H](C)Cc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)c1 ZINC000046005629 556689828 /nfs/dbraw/zinc/68/98/28/556689828.db2.gz WBASTSKBQVFDTB-MRXNPFEDSA-N 0 0 449.486 2.913 50 0 IFAARN CCn1c(-c2ccc(Cl)cc2)nn(CN2CCCN3CCN(CC)C(=O)[C@@H]23)c1=S ZINC000032937597 556690276 /nfs/dbraw/zinc/69/02/76/556690276.db2.gz JJJZDZUTWNRUOI-GOSISDBHSA-N 0 0 434.997 2.908 50 0 IFAARN O=C(N[C@@H](CO)c1ccccc1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000252484279 556690277 /nfs/dbraw/zinc/69/02/77/556690277.db2.gz FTOCKSWYRGPOOT-GUYCJALGSA-N 0 0 443.301 2.528 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)NC3CCCCCCC3)C2=O)cc1OC ZINC000252527793 556690525 /nfs/dbraw/zinc/69/05/25/556690525.db2.gz DJFPEHHOGPSEFA-GOSISDBHSA-N 0 0 431.533 2.990 50 0 IFAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCC3(OCCO)CCOCC3)c12 ZINC000252490470 556690561 /nfs/dbraw/zinc/69/05/61/556690561.db2.gz KULKUSVQZDZOLG-UHFFFAOYSA-N 0 0 430.549 2.660 50 0 IFAARN CCOC(=O)N1CCN(C(=O)Cc2c(C)nc3nc(-c4cccc(C)c4)nn3c2C)CC1 ZINC000046023859 556691188 /nfs/dbraw/zinc/69/11/88/556691188.db2.gz WXTKDTUWLSLMCK-UHFFFAOYSA-N 0 0 436.516 2.560 50 0 IFAARN Cc1cc(-c2csc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)n2)c(F)cc1F ZINC000072313250 556693244 /nfs/dbraw/zinc/69/32/44/556693244.db2.gz DHVFISUWJORGAF-UHFFFAOYSA-N 0 0 443.435 2.595 50 0 IFAARN O=C(Nc1cccc(F)c1)c1nnc(C(=O)N2CCC(C(=O)NC3CCCC3)CC2)s1 ZINC000033024551 556695944 /nfs/dbraw/zinc/69/59/44/556695944.db2.gz AMAPRPRBXOYRIL-UHFFFAOYSA-N 0 0 445.520 2.841 50 0 IFAARN CCCNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033024829 556697729 /nfs/dbraw/zinc/69/77/29/556697729.db2.gz MQBGBSYRESVUPN-UHFFFAOYSA-N 0 0 429.546 2.867 50 0 IFAARN Cc1cccn2c(CN3CCCN(C=O)CC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000013596115 556700776 /nfs/dbraw/zinc/70/07/76/556700776.db2.gz QQRJVCVDIXZTOC-UHFFFAOYSA-N 0 0 433.556 2.622 50 0 IFAARN C[C@H]1CCCN(C(=O)c2ccc(N3CC[NH2+]CC3)c([N-]S(=O)(=O)c3cccs3)c2)C1 ZINC000033033301 556714162 /nfs/dbraw/zinc/71/41/62/556714162.db2.gz WGJONMNWBKEKAC-INIZCTEOSA-N 0 0 448.614 2.831 50 0 IFAARN O=C(c1cn(CCC2CCCCC2)nn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019223105 556716085 /nfs/dbraw/zinc/71/60/85/556716085.db2.gz BXZBZEXVPOZDRR-UHFFFAOYSA-N 0 0 425.533 2.935 50 0 IFAARN Cc1nc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cs1 ZINC000019229076 556717872 /nfs/dbraw/zinc/71/78/72/556717872.db2.gz GTYBLCVPELPGKR-GOSISDBHSA-N 0 0 428.558 2.603 50 0 IFAARN COc1ccc(C(=O)OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)c(OC)c1 ZINC000011133255 556718391 /nfs/dbraw/zinc/71/83/91/556718391.db2.gz SCURWYPNUOIIOJ-OAHLLOKOSA-N 0 0 435.498 2.521 50 0 IFAARN COc1ccc2c(c1)occ(Oc1ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc1)c2=O ZINC000013729082 556721464 /nfs/dbraw/zinc/72/14/64/556721464.db2.gz NJXCCHWGLCVKTD-AWEZNQCLSA-N 0 0 429.450 2.511 50 0 IFAARN O=C(Nc1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc1)c1ccc2c(c1)OCO2 ZINC000072324891 556722405 /nfs/dbraw/zinc/72/24/05/556722405.db2.gz DYLIYAJFFYEOJF-WBVHZDCISA-N 0 0 430.464 2.848 50 0 IFAARN CC(C)Cc1nnc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 ZINC000061717623 556723970 /nfs/dbraw/zinc/72/39/70/556723970.db2.gz GVYMQQOMQOIWNF-AWEZNQCLSA-N 0 0 434.541 2.735 50 0 IFAARN COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NC[C@H]3COc4ccccc4O3)n2)c1 ZINC000061718151 556724355 /nfs/dbraw/zinc/72/43/55/556724355.db2.gz WZAWTOYQOUNEKW-AWEZNQCLSA-N 0 0 443.843 2.670 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000061718153 556724369 /nfs/dbraw/zinc/72/43/69/556724369.db2.gz JZWBPQNWXJBWFA-UHFFFAOYSA-N 0 0 429.908 2.769 50 0 IFAARN Cc1c(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000019286884 556727974 /nfs/dbraw/zinc/72/79/74/556727974.db2.gz IQCSEZKQDIQIHX-FMIVXFBMSA-N 0 0 445.567 2.754 50 0 IFAARN CCc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019288078 556728422 /nfs/dbraw/zinc/72/84/22/556728422.db2.gz BFOKXAWZZQOWRH-UHFFFAOYSA-N 0 0 428.964 2.775 50 0 IFAARN O=C(COc1ccc(I)cc1)OCC(=O)N1CCc2ccccc21 ZINC000072331028 556728702 /nfs/dbraw/zinc/72/87/02/556728702.db2.gz ASSAAEAPNHYNBT-UHFFFAOYSA-N 0 0 437.233 2.803 50 0 IFAARN C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000071328986 556730722 /nfs/dbraw/zinc/73/07/22/556730722.db2.gz BDULLGRGDPJOLM-OAHLLOKOSA-N 0 0 443.577 2.840 50 0 IFAARN CCOc1ccc(NC(=O)[C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000005203905 556731266 /nfs/dbraw/zinc/73/12/66/556731266.db2.gz SBEYBASCBZDENP-HOTGVXAUSA-N 0 0 425.485 2.590 50 0 IFAARN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1coc(-c2ccccc2)n1 ZINC000170639034 556732854 /nfs/dbraw/zinc/73/28/54/556732854.db2.gz OXTFKSPNVGMMEG-IBGZPJMESA-N 0 0 438.509 2.721 50 0 IFAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 ZINC000055061085 556733656 /nfs/dbraw/zinc/73/36/56/556733656.db2.gz CXGCCZWQAIGIOV-JOCHJYFZSA-N 0 0 436.487 2.830 50 0 IFAARN COc1cc(Br)c(CC(=O)O[C@@H](C)C(=O)NCc2ccco2)cc1OC ZINC000019298792 556734767 /nfs/dbraw/zinc/73/47/67/556734767.db2.gz RILVPLCDXKLGEF-NSHDSACASA-N 0 0 426.263 2.850 50 0 IFAARN O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1cc(F)cc(F)c1)CC2 ZINC000019300378 556735072 /nfs/dbraw/zinc/73/50/72/556735072.db2.gz HOSWHKURGWUXDZ-UHFFFAOYSA-N 0 0 443.473 2.655 50 0 IFAARN c1ccc(CNc2nc3nonc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000055226257 556738340 /nfs/dbraw/zinc/73/83/40/556738340.db2.gz QKTPKRWSFKXVQZ-UHFFFAOYSA-N 0 0 445.483 2.676 50 0 IFAARN O=C(CN1CCN(Cc2ccc(F)cc2Cl)S1(=O)=O)NCCCc1ccccc1 ZINC000033045367 556742256 /nfs/dbraw/zinc/74/22/56/556742256.db2.gz WIVFKZPZRWLRBF-UHFFFAOYSA-N 0 0 439.940 2.591 50 0 IFAARN COc1cc(C)ccc1S(=O)(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000013799608 556742809 /nfs/dbraw/zinc/74/28/09/556742809.db2.gz NBIFXKSFMIIEMH-UHFFFAOYSA-N 0 0 431.489 2.735 50 0 IFAARN CC(C)Cn1c(SCC(=O)N[C@H]2CCOc3ccccc32)nnc1N1CCOCC1 ZINC000019353604 556744958 /nfs/dbraw/zinc/74/49/58/556744958.db2.gz SIMCGFTUCOEXEC-KRWDZBQOSA-N 0 0 431.562 2.503 50 0 IFAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000033048951 556746169 /nfs/dbraw/zinc/74/61/69/556746169.db2.gz CURKCBNQOXGPNZ-UHFFFAOYSA-N 0 0 425.492 2.807 50 0 IFAARN COc1ccc(OC)c(N2CCCn3c4c(nc32)n(C)c(=O)n(CCC(C)C)c4=O)c1 ZINC000005252014 556747418 /nfs/dbraw/zinc/74/74/18/556747418.db2.gz SLIDBNCPIVZPLZ-UHFFFAOYSA-N 0 0 427.505 2.502 50 0 IFAARN O=C(NCC(O)(c1cccs1)c1cccs1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000090617652 556747969 /nfs/dbraw/zinc/74/79/69/556747969.db2.gz BIYWQHTZYAQZPR-UHFFFAOYSA-N 0 0 430.507 2.572 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3cnc4cc(OC)ccc4c3)C2=O)cc1 ZINC000206230440 556748730 /nfs/dbraw/zinc/74/87/30/556748730.db2.gz WUOWKAKGGKFAOE-OAQYLSRUSA-N 0 0 448.479 2.744 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3c(C)nn(C(C)C)c3C)C2=O)cc1 ZINC000206234910 556748897 /nfs/dbraw/zinc/74/88/97/556748897.db2.gz PURQXKQYTVCKKF-GOSISDBHSA-N 0 0 427.505 2.581 50 0 IFAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4c(c3)C(=O)N3CCC[C@@H]3C(=O)N4)ccc12 ZINC000206251105 556749690 /nfs/dbraw/zinc/74/96/90/556749690.db2.gz BKPQSPSXXZZMBL-LJQANCHMSA-N 0 0 447.447 2.676 50 0 IFAARN O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)NCCN1CCOCC1 ZINC000019374036 556750655 /nfs/dbraw/zinc/75/06/55/556750655.db2.gz VYAJKNAQASQCSS-UHFFFAOYSA-N 0 0 426.464 2.703 50 0 IFAARN COc1cccc(C[C@H](C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)n2nnnc2C)c1 ZINC000058014119 556753357 /nfs/dbraw/zinc/75/33/57/556753357.db2.gz ADYOACDIOTUKFS-SIKLNZKXSA-N 0 0 448.527 2.651 50 0 IFAARN COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000011160901 556753510 /nfs/dbraw/zinc/75/35/10/556753510.db2.gz CURWPSQJINOHLT-UHFFFAOYSA-N 0 0 429.425 2.620 50 0 IFAARN NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000058022956 556754431 /nfs/dbraw/zinc/75/44/31/556754431.db2.gz UICYSBXMPDHHAG-QHCPKHFHSA-N 0 0 432.476 2.920 50 0 IFAARN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000058029255 556754814 /nfs/dbraw/zinc/75/48/14/556754814.db2.gz MDUKUFPZHWRMFO-FQEVSTJZSA-N 0 0 432.542 2.767 50 0 IFAARN O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCN(CCOc2ccccc2)CC1 ZINC000058086204 556757302 /nfs/dbraw/zinc/75/73/02/556757302.db2.gz CRTGBTBLRPOSSP-UHFFFAOYSA-N 0 0 433.512 2.520 50 0 IFAARN COc1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cc1OC1CCCC1 ZINC000058091034 556757614 /nfs/dbraw/zinc/75/76/14/556757614.db2.gz KWRUZXOAEZMJFA-FXAWDEMLSA-N 0 0 433.549 2.875 50 0 IFAARN COc1cc(OC)c(CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000058152552 556762228 /nfs/dbraw/zinc/76/22/28/556762228.db2.gz GEWNIVWCCSRQOV-UHFFFAOYSA-N 0 0 442.921 2.639 50 0 IFAARN COc1ccc(N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)c3ncccc23)cc1 ZINC000058155925 556762490 /nfs/dbraw/zinc/76/24/90/556762490.db2.gz PTBQEADJHLVEHW-QGZVFWFLSA-N 0 0 446.550 2.934 50 0 IFAARN O=c1oc2cc(Cl)ccc2n1CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000058160780 556764713 /nfs/dbraw/zinc/76/47/13/556764713.db2.gz RBQXRPJTVLPGPW-UHFFFAOYSA-N 0 0 439.896 2.741 50 0 IFAARN Cc1nc(-c2cccc(NC(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cs1 ZINC000058166529 556766790 /nfs/dbraw/zinc/76/67/90/556766790.db2.gz GIGOMAOORFSWGM-OKILXGFUSA-N 0 0 438.575 2.679 50 0 IFAARN O=C(NCCc1cc(F)cc2c1OCOC2)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000058166980 556766970 /nfs/dbraw/zinc/76/69/70/556766970.db2.gz FPIUKBVSBLJWBD-UHFFFAOYSA-N 0 0 427.432 2.705 50 0 IFAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000058170553 556767982 /nfs/dbraw/zinc/76/79/82/556767982.db2.gz KTRJQNKRYDSJDA-LJQANCHMSA-N 0 0 444.539 2.728 50 0 IFAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000019471693 556768121 /nfs/dbraw/zinc/76/81/21/556768121.db2.gz QPCUUESIGWRBJD-OAHLLOKOSA-N 0 0 446.550 2.856 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)c2)C[C@H](C)O1 ZINC000058196605 556770477 /nfs/dbraw/zinc/77/04/77/556770477.db2.gz MQTRKODKGKIYAR-QKLQHJQFSA-N 0 0 448.589 2.526 50 0 IFAARN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1 ZINC000058203077 556771521 /nfs/dbraw/zinc/77/15/21/556771521.db2.gz XXJGSXQBWQYVSI-FUHWJXTLSA-N 0 0 437.606 2.711 50 0 IFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1cc(-c2ccccc2)on1 ZINC000058225942 556773774 /nfs/dbraw/zinc/77/37/74/556773774.db2.gz KADAIMRMDOWZDT-UHFFFAOYSA-N 0 0 442.422 2.837 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000058243962 556774841 /nfs/dbraw/zinc/77/48/41/556774841.db2.gz BSRGKQQLMXMWMG-UHFFFAOYSA-N 0 0 437.452 2.551 50 0 IFAARN COc1cc(Br)c(S(=O)(=O)NCc2cccc3c2OCCO3)cc1OC ZINC000058265537 556776445 /nfs/dbraw/zinc/77/64/45/556776445.db2.gz IERJAQNZAOCYLL-UHFFFAOYSA-N 0 0 444.303 2.716 50 0 IFAARN CC(C)[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1nc(-c2cccnc2)no1 ZINC000058277637 556777027 /nfs/dbraw/zinc/77/70/27/556777027.db2.gz UASLOHAFSWCJBV-BQFCYCMXSA-N 0 0 425.489 2.510 50 0 IFAARN Cc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)sc2nc(C3CC3)nc(C)c12 ZINC000058312961 556780097 /nfs/dbraw/zinc/78/00/97/556780097.db2.gz JAKXGQZEVUEUAS-CVEARBPZSA-N 0 0 448.614 2.567 50 0 IFAARN Cc1nc2ccccc2nc1CS(=O)(=O)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000058379657 556784327 /nfs/dbraw/zinc/78/43/27/556784327.db2.gz AENUCVWCEXPYEQ-WBVHZDCISA-N 0 0 425.510 2.882 50 0 IFAARN O=C(CCn1ncc(=O)c2ccccc21)Nc1cc2c(cc1Br)OCCO2 ZINC000058381751 556784489 /nfs/dbraw/zinc/78/44/89/556784489.db2.gz AHFVLIHVYBEZQB-UHFFFAOYSA-N 0 0 430.258 2.959 50 0 IFAARN O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000058403078 556785628 /nfs/dbraw/zinc/78/56/28/556785628.db2.gz XZJCJEVZFAEKST-MSOLQXFVSA-N 0 0 429.473 2.564 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000058441660 556789215 /nfs/dbraw/zinc/78/92/15/556789215.db2.gz JNQKBVZTZVQWAL-APWZRJJASA-N 0 0 433.911 2.694 50 0 IFAARN COc1cc(C(=O)O[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)ccc1OCC(N)=O ZINC000058613102 556790650 /nfs/dbraw/zinc/79/06/50/556790650.db2.gz BXZREHZKWRKKBE-LBPRGKRZSA-N 0 0 429.404 2.975 50 0 IFAARN COc1ccc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1OC ZINC000058626615 556790710 /nfs/dbraw/zinc/79/07/10/556790710.db2.gz SQRMFZHOTCNYGO-UHFFFAOYSA-N 0 0 426.391 2.891 50 0 IFAARN COC(=O)c1cc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)oc1C ZINC000058744334 556791519 /nfs/dbraw/zinc/79/15/19/556791519.db2.gz KEOVJVSORHNVCX-LBPRGKRZSA-N 0 0 435.274 2.806 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2ccccc2C(=O)NC2CC2)cc1 ZINC000011183485 556792580 /nfs/dbraw/zinc/79/25/80/556792580.db2.gz KUAXRKZPKBLOQX-UHFFFAOYSA-N 0 0 444.557 2.660 50 0 IFAARN CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(OC[C@H]2CCCO2)c(OC)c1 ZINC000058953585 556793401 /nfs/dbraw/zinc/79/34/01/556793401.db2.gz RPIAZVSOEOPMDJ-QGZVFWFLSA-N 0 0 433.526 2.977 50 0 IFAARN O=C(Cn1nnc(-c2ccc(Br)cc2)n1)Nc1ccccc1C(=O)NC1CC1 ZINC000019535447 556793937 /nfs/dbraw/zinc/79/39/37/556793937.db2.gz XVGWMFGDXYVDQM-UHFFFAOYSA-N 0 0 441.289 2.634 50 0 IFAARN C[C@@H]1CCc2c(sc3nc(Cn4c(C(F)(F)F)ccc(C(N)=O)c4=O)nc(N)c32)C1 ZINC000059124467 556795019 /nfs/dbraw/zinc/79/50/19/556795019.db2.gz VVEZQUADLIALRO-MRVPVSSYSA-N 0 0 437.447 2.726 50 0 IFAARN COC(=O)CN(Cc1ccccc1Cl)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000059327025 556797947 /nfs/dbraw/zinc/79/79/47/556797947.db2.gz RFBBEZDPJDUQEI-LJQANCHMSA-N 0 0 428.916 2.933 50 0 IFAARN CC(C)COc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)NCCCO)cc1 ZINC000002090510 556798651 /nfs/dbraw/zinc/79/86/51/556798651.db2.gz LYQRQKVUVBGPIQ-UDWIEESQSA-N 0 0 440.496 2.720 50 0 IFAARN O=c1/c(=C/c2ccccc2Br)sc2nc(=O)c(Cc3ccc(F)cc3)nn12 ZINC000002373591 556799382 /nfs/dbraw/zinc/79/93/82/556799382.db2.gz DHVRWMISSUPMTQ-YBEGLDIGSA-N 0 0 444.285 2.551 50 0 IFAARN COC(=O)c1cc(NC(=O)COC(=O)c2cc(C)nc3ccccc32)cc(C(=O)OC)c1 ZINC000002629848 556801080 /nfs/dbraw/zinc/80/10/80/556801080.db2.gz HWIDURMORVRSIL-UHFFFAOYSA-N 0 0 436.420 2.912 50 0 IFAARN COCCn1ccc2c1cccc2NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000072402188 556802035 /nfs/dbraw/zinc/80/20/35/556802035.db2.gz KCMQAHZYBJKHGC-UHFFFAOYSA-N 0 0 435.528 2.750 50 0 IFAARN O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000002654387 556802557 /nfs/dbraw/zinc/80/25/57/556802557.db2.gz LGOOPNRCFUZDHI-UHFFFAOYSA-N 0 0 428.539 2.906 50 0 IFAARN Cc1noc([C@@H]2CCCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)C2)n1 ZINC000059589080 556802881 /nfs/dbraw/zinc/80/28/81/556802881.db2.gz CLMDDVLKPJOZKG-IEBWSBKVSA-N 0 0 434.562 2.786 50 0 IFAARN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)cc1 ZINC000059749707 556803974 /nfs/dbraw/zinc/80/39/74/556803974.db2.gz RHJORXGGORQXGH-MRXNPFEDSA-N 0 0 438.594 2.876 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000003202992 556804429 /nfs/dbraw/zinc/80/44/29/556804429.db2.gz ZQFWTDMRWLGKDW-UHFFFAOYSA-N 0 0 430.954 2.786 50 0 IFAARN CCN(CC)[C@@H](CNS(=O)(=O)c1cccc(-n2cnnn2)c1)c1ccccc1Cl ZINC000060062056 556805989 /nfs/dbraw/zinc/80/59/89/556805989.db2.gz CFJFFGRZBKXKGD-IBGZPJMESA-N 0 0 434.953 2.677 50 0 IFAARN COc1ccc(-c2cnc(CN3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)o2)cc1 ZINC000060105749 556806505 /nfs/dbraw/zinc/80/65/05/556806505.db2.gz CTJWEXZXUXSMBU-JOCHJYFZSA-N 0 0 435.480 2.977 50 0 IFAARN COc1ccccc1CNS(=O)(=O)c1cc(-c2n[nH]cc2C(=O)N2CCCC2)oc1C ZINC000097940839 556811595 /nfs/dbraw/zinc/81/15/95/556811595.db2.gz MDWJCICNUSHRSB-UHFFFAOYSA-N 0 0 444.513 2.701 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)cc1OC ZINC000097943865 556814570 /nfs/dbraw/zinc/81/45/70/556814570.db2.gz QMXCOJAYTOIIIJ-DEOSSOPVSA-N 0 0 437.496 2.739 50 0 IFAARN Cc1cccc(-n2nnnc2SCC(=O)NC(=O)c2ccccc2Br)c1 ZINC000003428751 556815169 /nfs/dbraw/zinc/81/51/69/556815169.db2.gz DAERETXUVROTNG-UHFFFAOYSA-N 0 0 432.303 2.782 50 0 IFAARN CCC[C@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000003433759 556815552 /nfs/dbraw/zinc/81/55/52/556815552.db2.gz PCSFJKLTFVAJGT-KRWDZBQOSA-N 0 0 444.553 2.895 50 0 IFAARN CCOC(=O)c1noc2nc(C)n([C@@H](CC)C(=O)NCCc3ccc(Cl)cc3)c(=O)c12 ZINC000033059580 556815916 /nfs/dbraw/zinc/81/59/16/556815916.db2.gz ZKMZMFJOTDRFHA-HNNXBMFYSA-N 0 0 446.891 2.833 50 0 IFAARN CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000003471681 556816580 /nfs/dbraw/zinc/81/65/80/556816580.db2.gz XZJWOLFNJBUJJX-UHFFFAOYSA-N 0 0 438.436 2.853 50 0 IFAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000003511380 556817183 /nfs/dbraw/zinc/81/71/83/556817183.db2.gz PKIHJQFVUYJVQK-HNNXBMFYSA-N 0 0 432.498 2.664 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Br)cc1 ZINC000003540539 556817398 /nfs/dbraw/zinc/81/73/98/556817398.db2.gz NXFMTIXZXZXGLL-LBPRGKRZSA-N 0 0 426.336 2.556 50 0 IFAARN O=C(c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004003622 556818108 /nfs/dbraw/zinc/81/81/08/556818108.db2.gz LIQVUJFGXUVFQB-UHFFFAOYSA-N 0 0 444.466 2.781 50 0 IFAARN C[C@@H](Cc1ccco1)NC(=O)CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000033063056 556818517 /nfs/dbraw/zinc/81/85/17/556818517.db2.gz VMIJKEXVAQTHEU-ZDUSSCGKSA-N 0 0 437.905 2.970 50 0 IFAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)ccn3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000072402967 556819256 /nfs/dbraw/zinc/81/92/56/556819256.db2.gz YAOYOHNSEAHFOY-MRXNPFEDSA-N 0 0 426.498 2.874 50 0 IFAARN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000063156429 556819750 /nfs/dbraw/zinc/81/97/50/556819750.db2.gz XROXFLLRWPGQCP-UHFFFAOYSA-N 0 0 433.512 2.810 50 0 IFAARN O=C(NCCn1nc(-c2cccnc2)n(C2CC2)c1=O)c1ccc(OC(F)(F)F)cc1 ZINC000206638465 556823390 /nfs/dbraw/zinc/82/33/90/556823390.db2.gz SYKNEBBDMKKFET-UHFFFAOYSA-N 0 0 433.390 2.770 50 0 IFAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(F)c(F)c3)ccn12)NCc1ccc(F)cc1 ZINC000064591564 556825408 /nfs/dbraw/zinc/82/54/08/556825408.db2.gz JBVLXDOJVXQWQI-UHFFFAOYSA-N 0 0 441.413 2.937 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CN3CCc4cc(OC)c(OC)cc4C3)n2)cc1OC ZINC000072403557 556825722 /nfs/dbraw/zinc/82/57/22/556825722.db2.gz VMFHJPUUGXRYGS-UHFFFAOYSA-N 0 0 437.496 2.961 50 0 IFAARN CCOc1ccc(CC(=O)N2CCCN([C@@H]3CCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000097945168 556826530 /nfs/dbraw/zinc/82/65/30/556826530.db2.gz KMSAXWWPFQFPHS-XMMPIXPASA-N 0 0 435.568 2.963 50 0 IFAARN Cn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000064893745 556828669 /nfs/dbraw/zinc/82/86/69/556828669.db2.gz VUHFFYGZQORLHB-UHFFFAOYSA-N 0 0 437.422 2.502 50 0 IFAARN COc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1S(=O)(=O)N(C)C ZINC000019603682 556831087 /nfs/dbraw/zinc/83/10/87/556831087.db2.gz KSWPYSQWSRCRNH-UHFFFAOYSA-N 0 0 426.878 2.622 50 0 IFAARN COc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1NS(C)(=O)=O ZINC000022993666 556832616 /nfs/dbraw/zinc/83/26/16/556832616.db2.gz YLGDQCSUUGCBMB-UHFFFAOYSA-N 0 0 426.498 2.993 50 0 IFAARN COc1cc(/C=C/C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC ZINC000019631694 556832791 /nfs/dbraw/zinc/83/27/91/556832791.db2.gz YBIGHDUGYKSZHF-FNORWQNLSA-N 0 0 440.496 2.799 50 0 IFAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 ZINC000065362228 556834214 /nfs/dbraw/zinc/83/42/14/556834214.db2.gz HJIDCAIRVCFYPW-SFHVURJKSA-N 0 0 434.500 2.680 50 0 IFAARN COc1cc(CN(C(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1 ZINC000022996806 556839117 /nfs/dbraw/zinc/83/91/17/556839117.db2.gz MHESHMQGACQFRJ-UHFFFAOYSA-N 0 0 447.557 2.571 50 0 IFAARN Cc1ccc(C)c(OC[C@@H](O)CN2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1 ZINC000096635231 556839758 /nfs/dbraw/zinc/83/97/58/556839758.db2.gz VNMKNJDAFOZNEX-DTSIOAQHSA-N 0 0 430.570 2.661 50 0 IFAARN CCn1cc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCCCC4)c(C(=O)NCCOC)n1 ZINC000019646456 556840427 /nfs/dbraw/zinc/84/04/27/556840427.db2.gz IYCJHKHRXIWPMU-UHFFFAOYSA-N 0 0 447.586 2.971 50 0 IFAARN COc1cc2ncn(CCCC(=O)O[C@@H]3CCC[C@H]3n3cccn3)c(=O)c2cc1OC ZINC000062639880 556841413 /nfs/dbraw/zinc/84/14/13/556841413.db2.gz PWOAGBHEDHPIOJ-QZTJIDSGSA-N 0 0 426.473 2.727 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)ncn2)n1 ZINC000067612357 556844004 /nfs/dbraw/zinc/84/40/04/556844004.db2.gz KCQGIWTVTINKJG-UHFFFAOYSA-N 0 0 426.908 2.660 50 0 IFAARN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000067772879 556846725 /nfs/dbraw/zinc/84/67/25/556846725.db2.gz LNXNBRJEYGOPPC-AWEZNQCLSA-N 0 0 426.496 2.967 50 0 IFAARN O=C(NCC(F)(F)F)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21 ZINC000060392418 556847737 /nfs/dbraw/zinc/84/77/37/556847737.db2.gz FKQIZXGASDUHHZ-UHFFFAOYSA-N 0 0 443.378 2.760 50 0 IFAARN CC(C)C[C@H](NC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)OC(C)(C)C)C(N)=O ZINC000068605637 556849075 /nfs/dbraw/zinc/84/90/75/556849075.db2.gz LLTBESZDWJXUAR-PKOBYXMFSA-N 0 0 428.533 2.846 50 0 IFAARN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000008878366 556851880 /nfs/dbraw/zinc/85/18/80/556851880.db2.gz YYOKINWHIOKPNX-DOTOQJQBSA-N 0 0 429.542 2.517 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)cc1 ZINC000033072318 556852247 /nfs/dbraw/zinc/85/22/47/556852247.db2.gz LQYCFAFOLCGBOD-UHFFFAOYSA-N 0 0 443.525 2.674 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 ZINC000008936953 556853069 /nfs/dbraw/zinc/85/30/69/556853069.db2.gz ZLMNOZSBTRANAG-JLTOFOAXSA-N 0 0 448.466 2.976 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)ccc1F ZINC000008945994 556853255 /nfs/dbraw/zinc/85/32/55/556853255.db2.gz WZVURDYLOHFOTM-UHFFFAOYSA-N 0 0 449.504 2.746 50 0 IFAARN Cc1cccc(C(=O)Nc2ccc(N3CCN(CC(=O)NC(C)C)CC3)c(C(=O)[O-])c2)c1 ZINC000033078762 556853929 /nfs/dbraw/zinc/85/39/29/556853929.db2.gz UMXVYYJOKMGECH-UHFFFAOYSA-N 0 0 438.528 2.592 50 0 IFAARN O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008983343 556854600 /nfs/dbraw/zinc/85/46/00/556854600.db2.gz IAKQIKGHLUQXRK-UHFFFAOYSA-N 0 0 435.933 2.883 50 0 IFAARN CCOC(=O)[C@@H](C)NC(=O)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106620 556859332 /nfs/dbraw/zinc/85/93/32/556859332.db2.gz WDJYIFGXSWBGJT-GOSISDBHSA-N 0 0 435.528 2.868 50 0 IFAARN CCOC(=O)[C@H](C)NC(=O)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106621 556859342 /nfs/dbraw/zinc/85/93/42/556859342.db2.gz WDJYIFGXSWBGJT-SFHVURJKSA-N 0 0 435.528 2.868 50 0 IFAARN CCOC(=O)[C@@H](C)NC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033113083 556859704 /nfs/dbraw/zinc/85/97/04/556859704.db2.gz GYJBLXWMOXDAGV-CHWSQXEVSA-N 0 0 449.508 2.770 50 0 IFAARN COc1ccc(-n2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)ccc2=O)cc1 ZINC000033128360 556865562 /nfs/dbraw/zinc/86/55/62/556865562.db2.gz NDHVJSDICLEHBB-UHFFFAOYSA-N 0 0 427.482 2.989 50 0 IFAARN COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(OC)c(OC)c1)CC3 ZINC000033129308 556868466 /nfs/dbraw/zinc/86/84/66/556868466.db2.gz QLMUBKXCHOFYCT-UHFFFAOYSA-N 0 0 437.496 2.859 50 0 IFAARN NNc1nc2sc3c(c2c(=O)n1C(=O)c1ccccc1)CCN(Cc1ccccc1)C3 ZINC000019708527 556869276 /nfs/dbraw/zinc/86/92/76/556869276.db2.gz JELHBWLKAHTOEH-UHFFFAOYSA-N 0 0 431.521 2.990 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cscn2)c1 ZINC000033138974 556872913 /nfs/dbraw/zinc/87/29/13/556872913.db2.gz UJHRVIOSFQMNJS-IBGZPJMESA-N 0 0 429.567 2.966 50 0 IFAARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000011226377 556875503 /nfs/dbraw/zinc/87/55/03/556875503.db2.gz QIWKGSWVJZCFGT-UHFFFAOYSA-N 0 0 428.432 2.656 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccccc2Cl)c1=O ZINC000033140939 556876792 /nfs/dbraw/zinc/87/67/92/556876792.db2.gz OOFKCASACBTYMU-UHFFFAOYSA-N 0 0 447.948 2.922 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000033141034 556877206 /nfs/dbraw/zinc/87/72/06/556877206.db2.gz LGIBSOSDIDQCCZ-UHFFFAOYSA-N 0 0 445.520 2.798 50 0 IFAARN O=C(CCc1nc2ccccc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O)NC1CC1 ZINC000033141637 556877907 /nfs/dbraw/zinc/87/79/07/556877907.db2.gz PMOOSNHCRZONOA-UHFFFAOYSA-N 0 0 426.423 2.525 50 0 IFAARN Cc1ccccc1[C@]1(CC(=O)N2CCN(Cc3ccccc3)CC2)CC(=O)N(C2CC2)C1=O ZINC000019740294 556880349 /nfs/dbraw/zinc/88/03/49/556880349.db2.gz WZWBQWYZHKFJQC-MHZLTWQESA-N 0 0 445.563 2.889 50 0 IFAARN Nc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000033171873 556882676 /nfs/dbraw/zinc/88/26/76/556882676.db2.gz BARMHWREWIXNFL-UHFFFAOYSA-N 0 0 444.900 2.967 50 0 IFAARN CCOC(=O)N1CCN(C(=O)C2CCN(c3ncnc4c5ccccc5oc43)CC2)CC1 ZINC000033169567 556884690 /nfs/dbraw/zinc/88/46/90/556884690.db2.gz XPIGTMAHRIHRKE-UHFFFAOYSA-N 0 0 437.500 2.893 50 0 IFAARN O=C(NCc1cccs1)c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000033170026 556885169 /nfs/dbraw/zinc/88/51/69/556885169.db2.gz ZXMMQBQLWWNBOT-UHFFFAOYSA-N 0 0 432.527 2.903 50 0 IFAARN COCCCNC(=O)[C@H](O[C@H](C(=O)NCCCOC)c1ccccc1)c1ccccc1 ZINC000071769661 556887816 /nfs/dbraw/zinc/88/78/16/556887816.db2.gz DSGZECHHOYTDCO-SZPZYZBQSA-N 0 0 428.529 2.791 50 0 IFAARN O=C(Cc1ccc(F)cc1)N[C@H](O)C(Br)(Br)Br ZINC000071770027 556888050 /nfs/dbraw/zinc/88/80/50/556888050.db2.gz GZVYHATUMCSMNO-SECBINFHSA-N 0 0 433.897 2.641 50 0 IFAARN COCCCNC(=O)C1CCN(c2ccc3nnc(-c4ccccc4Cl)n3n2)CC1 ZINC000033260333 556897065 /nfs/dbraw/zinc/89/70/65/556897065.db2.gz LEBKGCBMEQZPCC-UHFFFAOYSA-N 0 0 428.924 2.814 50 0 IFAARN O=C(NCc1cccnc1)C1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 ZINC000033260338 556897195 /nfs/dbraw/zinc/89/71/95/556897195.db2.gz QBAXKTBEAZUUOT-UHFFFAOYSA-N 0 0 431.475 2.858 50 0 IFAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000072115439 556897946 /nfs/dbraw/zinc/89/79/46/556897946.db2.gz UKHDSRATBJZCEP-UHFFFAOYSA-N 0 0 436.438 2.686 50 0 IFAARN CN1CCN(c2cc(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)ncn2)CC1 ZINC000072119250 556898424 /nfs/dbraw/zinc/89/84/24/556898424.db2.gz YFPMDNISJKMKDD-UHFFFAOYSA-N 0 0 449.481 2.601 50 0 IFAARN Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)nn2)nc1 ZINC000072139287 556899298 /nfs/dbraw/zinc/89/92/98/556899298.db2.gz ZPELFDIBLJRAIM-UHFFFAOYSA-N 0 0 428.493 2.574 50 0 IFAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)CC2)cc1 ZINC000033262061 556900227 /nfs/dbraw/zinc/90/02/27/556900227.db2.gz NEMCOZRUCCJTAT-UHFFFAOYSA-N 0 0 428.514 2.695 50 0 IFAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)CC2)cc1 ZINC000033262047 556900328 /nfs/dbraw/zinc/90/03/28/556900328.db2.gz POBQABQVPIZLFI-UHFFFAOYSA-N 0 0 430.486 2.718 50 0 IFAARN Cc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)nnn3C(C)C)cc1 ZINC000033262930 556900941 /nfs/dbraw/zinc/90/09/41/556900941.db2.gz PNLJNNOLDKEIJY-OAQYLSRUSA-N 0 0 441.557 2.790 50 0 IFAARN CC1CCN(C(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccccc4)s3)C2)CC1 ZINC000033263397 556901503 /nfs/dbraw/zinc/90/15/03/556901503.db2.gz FNRIFXJOIPTHMS-INIZCTEOSA-N 0 0 441.557 2.901 50 0 IFAARN Cc1cc(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn32)nn1C ZINC000019794556 556915831 /nfs/dbraw/zinc/91/58/31/556915831.db2.gz ISXKCHPICNIEAJ-GASCZTMLSA-N 0 0 430.940 2.569 50 0 IFAARN CCN1C(=O)[C@@H](CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)N(CC)C1=O ZINC000019831846 556927079 /nfs/dbraw/zinc/92/70/79/556927079.db2.gz DZZGDINALYXFNO-JOCHJYFZSA-N 0 0 448.567 2.983 50 0 IFAARN COc1ccc(C(=O)N2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)cc1OC ZINC000019832210 556927327 /nfs/dbraw/zinc/92/73/27/556927327.db2.gz HYSUHQPOGZONNW-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN Cc1ccsc1/C=C(\NC(=O)c1ccc(C)cc1)C(=O)NCCCN1CCOCC1 ZINC000019879623 556936550 /nfs/dbraw/zinc/93/65/50/556936550.db2.gz LOZMLXMNJWVBHE-SILNSSARSA-N 0 0 427.570 2.974 50 0 IFAARN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 ZINC000019891990 556939527 /nfs/dbraw/zinc/93/95/27/556939527.db2.gz SEVVRRRLBPTNBY-SFTDATJTSA-N 0 0 442.512 2.934 50 0 IFAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000019894131 556939976 /nfs/dbraw/zinc/93/99/76/556939976.db2.gz JKKTTWYHKIQCJE-UXHICEINSA-N 0 0 428.485 2.688 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019899315 556941277 /nfs/dbraw/zinc/94/12/77/556941277.db2.gz DGISNPUJBNAOBM-UHFFFAOYSA-N 0 0 429.586 2.650 50 0 IFAARN COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(OC)cc1Br ZINC000019909324 556942807 /nfs/dbraw/zinc/94/28/07/556942807.db2.gz DMHKCDCSPKIVON-UHFFFAOYSA-N 0 0 425.304 2.917 50 0 IFAARN O=C(CSC1=NCCS1)Nc1cccc(NC(=O)CSC2=NCCS2)n1 ZINC000019911171 556943164 /nfs/dbraw/zinc/94/31/64/556943164.db2.gz ZYEVFKKEIISDQW-UHFFFAOYSA-N 0 0 427.602 2.631 50 0 IFAARN Cc1cc(C)n(-c2ccc(NCCNS(=O)(=O)c3cc(Cl)ccc3Cl)nn2)n1 ZINC000019924126 556944184 /nfs/dbraw/zinc/94/41/84/556944184.db2.gz LYIVGUBWOKRQQO-UHFFFAOYSA-N 0 0 441.344 2.976 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)cc1Cl ZINC000072441295 556973041 /nfs/dbraw/zinc/97/30/41/556973041.db2.gz HEFFLVOWGKVBFE-UHFFFAOYSA-N 0 0 427.896 2.987 50 0 IFAARN Cc1ccnc(Nc2ccc(N3CCN(C(=O)Cn4cnc5ccccc54)CC3)nn2)c1 ZINC000072446943 556973429 /nfs/dbraw/zinc/97/34/29/556973429.db2.gz IUJSUDYNQBJPJC-UHFFFAOYSA-N 0 0 428.500 2.622 50 0 IFAARN Cc1ncn(-c2cc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nc(C)n2)c1C ZINC000072446837 556973483 /nfs/dbraw/zinc/97/34/83/556973483.db2.gz QPCMRMCTXOQTCF-UHFFFAOYSA-N 0 0 446.964 2.752 50 0 IFAARN COc1ccc(-c2nc3c(c(=O)[nH]2)CCN(S(=O)(=O)c2ccc4c(c2)CCC4)C3)cc1 ZINC000097112728 556989545 /nfs/dbraw/zinc/98/95/45/556989545.db2.gz JUHYZLCXVINHAX-UHFFFAOYSA-N 0 0 437.521 2.681 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ncccc3-c3nnc(C(C)C)o3)CC2)cc1 ZINC000097125849 556991446 /nfs/dbraw/zinc/99/14/46/556991446.db2.gz YRBLATFXXDDYNZ-UHFFFAOYSA-N 0 0 443.529 2.775 50 0 IFAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CS2 ZINC000023078585 556996114 /nfs/dbraw/zinc/99/61/14/556996114.db2.gz BQPONQOFTKTVRG-QAPCUYQASA-N 0 0 429.464 2.935 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020214347 556999316 /nfs/dbraw/zinc/99/93/16/556999316.db2.gz QVFLRMQUGQHQFD-HSZRJFAPSA-N 0 0 434.540 2.988 50 0 IFAARN COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2C)N2CCOCC2)cc1 ZINC000023107514 557002215 /nfs/dbraw/zinc/00/22/15/557002215.db2.gz PUGMYBUXRAZDQS-FQEVSTJZSA-N 0 0 431.920 2.785 50 0 IFAARN COc1ccc(CNC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCOCC2)cc1 ZINC000023107630 557002446 /nfs/dbraw/zinc/00/24/46/557002446.db2.gz OBZUKWBATPPPST-XMMPIXPASA-N 0 0 447.535 2.654 50 0 IFAARN COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NC3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000020267402 557004770 /nfs/dbraw/zinc/00/47/70/557004770.db2.gz XRDVHBWCYCRJRE-OQKWZONESA-N 0 0 448.523 2.806 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3ccccc3F)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020283526 557005350 /nfs/dbraw/zinc/00/53/50/557005350.db2.gz RLDDOENZNMXSGH-JOCHJYFZSA-N 0 0 438.503 2.819 50 0 IFAARN CCn1c(SCC(=O)NCCc2ccccc2)nc2sc3c(c2c1=O)CCN(C)C3 ZINC000020291291 557005618 /nfs/dbraw/zinc/00/56/18/557005618.db2.gz CVXKZFZOXXAXPZ-UHFFFAOYSA-N 0 0 442.610 2.917 50 0 IFAARN O=S(=O)(c1ccc(Br)s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020291373 557005818 /nfs/dbraw/zinc/00/58/18/557005818.db2.gz LLEWJCQJNRCKQA-UHFFFAOYSA-N 0 0 445.360 2.746 50 0 IFAARN COc1cc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)cc(OC)c1 ZINC000023126607 557007058 /nfs/dbraw/zinc/00/70/58/557007058.db2.gz HFRAPTQLXNIQOL-UHFFFAOYSA-N 0 0 443.529 2.972 50 0 IFAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2F)N1CCN1CCOCC1 ZINC000020310781 557007331 /nfs/dbraw/zinc/00/73/31/557007331.db2.gz DQRICBVBOOVQGT-FQEVSTJZSA-N 0 0 426.419 2.949 50 0 IFAARN COc1ccccc1CNC(=O)CCn1cnc2c3cc(OC)c(OC)cc3[nH]c2c1=O ZINC000023125779 557007349 /nfs/dbraw/zinc/00/73/49/557007349.db2.gz VVXRWCFNLMPPNI-UHFFFAOYSA-N 0 0 436.468 2.610 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3c4cc(OC)c(OC)cc4[nH]c3c2=O)c(OC)c1 ZINC000023125971 557007736 /nfs/dbraw/zinc/00/77/36/557007736.db2.gz QLCSKXMPUSXJBJ-UHFFFAOYSA-N 0 0 438.440 2.551 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccccc1OC ZINC000020345190 557008701 /nfs/dbraw/zinc/00/87/01/557008701.db2.gz OVVQMBGGIOMCJR-UHFFFAOYSA-N 0 0 431.448 2.699 50 0 IFAARN Cc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4cc(F)cc(F)c4)c3=O)n2)cc1 ZINC000045971192 557013934 /nfs/dbraw/zinc/01/39/34/557013934.db2.gz RAJFMPOWEUZKOE-UHFFFAOYSA-N 0 0 435.394 2.721 50 0 IFAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)NC3CCCC3)c2n1 ZINC000045994780 557014821 /nfs/dbraw/zinc/01/48/21/557014821.db2.gz MWPNAABJHATEPE-UHFFFAOYSA-N 0 0 425.510 2.597 50 0 IFAARN COc1cc2c(cc1OC)CN(C[C@H](O)COc1ccc3c(C)cc(=O)oc3c1)CC2 ZINC000020426927 557015861 /nfs/dbraw/zinc/01/58/61/557015861.db2.gz FVSCOYXHVFTUGN-SFHVURJKSA-N 0 0 425.481 2.917 50 0 IFAARN CSc1nn(CC(=O)Nc2cccc(C(C)=O)c2)c(N)c1S(=O)(=O)c1ccccc1 ZINC000045986730 557016077 /nfs/dbraw/zinc/01/60/77/557016077.db2.gz KPJSDAZSZXSNNW-UHFFFAOYSA-N 0 0 444.538 2.861 50 0 IFAARN C[C@H](CO)Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020437939 557016901 /nfs/dbraw/zinc/01/69/01/557016901.db2.gz IYPVZFJEAKGERD-GFCCVEGCSA-N 0 0 429.546 2.720 50 0 IFAARN O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023135395 557018569 /nfs/dbraw/zinc/01/85/69/557018569.db2.gz CUYOIIGXISMQPH-UHFFFAOYSA-N 0 0 448.475 2.906 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccn(CC)c3=O)n2C)cc1 ZINC000023136355 557018838 /nfs/dbraw/zinc/01/88/38/557018838.db2.gz AKDBQXQWRUGUAW-UHFFFAOYSA-N 0 0 441.513 2.571 50 0 IFAARN Cn1nc(-c2ccccc2)c2c1nc(OCC(=O)N1CCN(C)CC1)cc2C(F)(F)F ZINC000046017239 557020428 /nfs/dbraw/zinc/02/04/28/557020428.db2.gz RXYXVXSJYSMCQI-UHFFFAOYSA-N 0 0 433.434 2.807 50 0 IFAARN CNC(=O)Cc1csc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3F)n2)n1 ZINC000023138333 557021250 /nfs/dbraw/zinc/02/12/50/557021250.db2.gz FNFJXHXDZXCTDF-UHFFFAOYSA-N 0 0 447.517 2.540 50 0 IFAARN CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000010734024 557022030 /nfs/dbraw/zinc/02/20/30/557022030.db2.gz JNFIJTYTEKFJSR-MRXNPFEDSA-N 0 0 431.510 2.698 50 0 IFAARN CCCOc1ccc(OCCOC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000010734382 557022104 /nfs/dbraw/zinc/02/21/04/557022104.db2.gz MXOLZRXMYYZCCP-UHFFFAOYSA-N 0 0 449.525 2.732 50 0 IFAARN COc1ccccc1N1CCN(c2nnc(SCC(=O)NCc3ccco3)s2)CC1 ZINC000023139922 557022765 /nfs/dbraw/zinc/02/27/65/557022765.db2.gz OJSHLIPXEXDUGJ-UHFFFAOYSA-N 0 0 445.570 2.875 50 0 IFAARN O=C(CCc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010744256 557023366 /nfs/dbraw/zinc/02/33/66/557023366.db2.gz JQQFYOYBAUZOOZ-UHFFFAOYSA-N 0 0 442.946 2.596 50 0 IFAARN CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCSCC1 ZINC000046027628 557023529 /nfs/dbraw/zinc/02/35/29/557023529.db2.gz RXZXKYPOMGZLAS-UHFFFAOYSA-N 0 0 433.599 2.626 50 0 IFAARN CCc1ccc2c(COC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)cc(=O)oc2c1 ZINC000010745519 557023509 /nfs/dbraw/zinc/02/35/09/557023509.db2.gz NSNCSIFCYVKSCE-LFVRLGFBSA-N 0 0 426.469 2.899 50 0 IFAARN CCc1ccc2c(COC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)cc(=O)oc2c1 ZINC000010745506 557023578 /nfs/dbraw/zinc/02/35/78/557023578.db2.gz NSNCSIFCYVKSCE-PSLXWICFSA-N 0 0 426.469 2.899 50 0 IFAARN COc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)n2C[C@H]2CCCO2)cc1Cl ZINC000046031481 557024304 /nfs/dbraw/zinc/02/43/04/557024304.db2.gz JUQKEVQNVCSXTM-GFCCVEGCSA-N 0 0 449.920 2.691 50 0 IFAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)c1ccc(Br)s1)C2=O ZINC000010758017 557024650 /nfs/dbraw/zinc/02/46/50/557024650.db2.gz SCYBWPOVJFHQOD-DYZYQPBXSA-N 0 0 443.319 2.737 50 0 IFAARN Cc1cccc(-c2nn3c(nc(CN4CCN(C(=O)c5ccco5)CC4)cc3=O)s2)c1 ZINC000046031690 557024691 /nfs/dbraw/zinc/02/46/91/557024691.db2.gz IUFNSPQJXPQOHD-UHFFFAOYSA-N 0 0 435.509 2.677 50 0 IFAARN C[C@@H](OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccccc21 ZINC000010762397 557025338 /nfs/dbraw/zinc/02/53/38/557025338.db2.gz METCLUOCTPUFBM-CQSZACIVSA-N 0 0 443.477 2.918 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)c1C ZINC000046046244 557025715 /nfs/dbraw/zinc/02/57/15/557025715.db2.gz FALBNZCKYMRLRJ-UHFFFAOYSA-N 0 0 449.592 2.911 50 0 IFAARN COc1cccc(-c2csc(CN3CCN(S(=O)(=O)c4c(C)noc4C)CC3)n2)c1 ZINC000023145050 557026453 /nfs/dbraw/zinc/02/64/53/557026453.db2.gz DREUBCJNYVZANA-UHFFFAOYSA-N 0 0 448.570 2.930 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 ZINC000023145067 557026723 /nfs/dbraw/zinc/02/67/23/557026723.db2.gz QAXNVDSYUJXLQC-UHFFFAOYSA-N 0 0 447.538 2.681 50 0 IFAARN CNC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000010785811 557026736 /nfs/dbraw/zinc/02/67/36/557026736.db2.gz INNGTUZYKFULLR-CYBMUJFWSA-N 0 0 441.600 2.968 50 0 IFAARN C[C@H](Sc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)C(=O)NCc1cccs1 ZINC000046047317 557028022 /nfs/dbraw/zinc/02/80/22/557028022.db2.gz LYDMVSGXJBBKKW-LBPRGKRZSA-N 0 0 429.502 2.878 50 0 IFAARN COc1ccccc1-n1ccn2c(S[C@H](C)C(=O)NCc3cccs3)nnc2c1=O ZINC000046047115 557028040 /nfs/dbraw/zinc/02/80/40/557028040.db2.gz TZKJQBATDZBYMV-CYBMUJFWSA-N 0 0 441.538 2.747 50 0 IFAARN COc1ccccc1-n1ccn2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nnc2c1=O ZINC000046047041 557028078 /nfs/dbraw/zinc/02/80/78/557028078.db2.gz JFCICKOFIGONMM-UHFFFAOYSA-N 0 0 449.492 2.822 50 0 IFAARN Cn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000032946591 557032446 /nfs/dbraw/zinc/03/24/46/557032446.db2.gz OFGPYLTVWXBYSD-UHFFFAOYSA-N 0 0 442.469 2.553 50 0 IFAARN Cc1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000010833991 557032971 /nfs/dbraw/zinc/03/29/71/557032971.db2.gz VBJAHEBXTBTRCU-CQSZACIVSA-N 0 0 441.347 2.978 50 0 IFAARN Cc1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1Br ZINC000010834521 557032998 /nfs/dbraw/zinc/03/29/98/557032998.db2.gz YFVNERUVQSCPMC-OAHLLOKOSA-N 0 0 441.347 2.978 50 0 IFAARN CC(C)(C)OC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000010843335 557034598 /nfs/dbraw/zinc/03/45/98/557034598.db2.gz SDFQGOGASJKNMY-UHFFFAOYSA-N 0 0 440.338 2.648 50 0 IFAARN O=C(Nc1ccccc1F)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O ZINC000017190863 557035968 /nfs/dbraw/zinc/03/59/68/557035968.db2.gz GOMGEFTYMNMBIA-UHFFFAOYSA-N 0 0 426.448 2.823 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C[C@H](C)O1 ZINC000017247363 557041764 /nfs/dbraw/zinc/04/17/64/557041764.db2.gz QFALVAPNWLUXLE-BETUJISGSA-N 0 0 448.526 2.848 50 0 IFAARN CC(C)c1noc(CN2CCN(Cc3nc(N)nc(Nc4ccc(Cl)cc4)n3)CC2)n1 ZINC000023186060 557044602 /nfs/dbraw/zinc/04/46/02/557044602.db2.gz VNTAGOHPNGEPCR-UHFFFAOYSA-N 0 0 443.943 2.675 50 0 IFAARN O=C(NCc1cccnc1-n1cncn1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000048234637 557046085 /nfs/dbraw/zinc/04/60/85/557046085.db2.gz RLJANKMSVAQLJZ-HNNXBMFYSA-N 0 0 431.422 2.609 50 0 IFAARN COc1cc(C)ccc1OS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000048234492 557046153 /nfs/dbraw/zinc/04/61/53/557046153.db2.gz CINWZNDNBYGEGF-UHFFFAOYSA-N 0 0 428.260 2.865 50 0 IFAARN Cc1cccc(-c2noc(CS(=O)(=O)[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n2)c1 ZINC000048235404 557046909 /nfs/dbraw/zinc/04/69/09/557046909.db2.gz RMVSZITWYVHCSB-AWEZNQCLSA-N 0 0 443.481 2.758 50 0 IFAARN Cc1oc(C(=O)Nc2cccc(CN3CCOC3=O)c2)cc1S(=O)(=O)N1CCCC1 ZINC000048235289 557046923 /nfs/dbraw/zinc/04/69/23/557046923.db2.gz OCGFZWPQAVRNJL-UHFFFAOYSA-N 0 0 433.486 2.577 50 0 IFAARN COc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1S(=O)(=O)N(C)C ZINC000048249372 557048607 /nfs/dbraw/zinc/04/86/07/557048607.db2.gz VDNRDQNBVXOTEC-UHFFFAOYSA-N 0 0 446.573 2.651 50 0 IFAARN CCCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1=NCCS1 ZINC000048263595 557050143 /nfs/dbraw/zinc/05/01/43/557050143.db2.gz WSDACQJPUOTKFC-OAHLLOKOSA-N 0 0 427.567 2.958 50 0 IFAARN Cn1nnnc1-c1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000048265139 557050827 /nfs/dbraw/zinc/05/08/27/557050827.db2.gz ZCSHIFNUMKWGIM-UHFFFAOYSA-N 0 0 432.410 2.645 50 0 IFAARN CCOC(=O)[C@@H](C)NC(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033273114 557051170 /nfs/dbraw/zinc/05/11/70/557051170.db2.gz UIPUTHAQOSPCJE-CYBMUJFWSA-N 0 0 431.518 2.631 50 0 IFAARN Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)cn2)n1 ZINC000048250469 557051579 /nfs/dbraw/zinc/05/15/79/557051579.db2.gz ZUCIBMLPCJDGNN-UHFFFAOYSA-N 0 0 439.541 2.526 50 0 IFAARN CN(CCc1noc(C(=O)NCc2ccccc2)n1)C(=O)COc1ccc(Cl)cc1 ZINC000033273356 557051564 /nfs/dbraw/zinc/05/15/64/557051564.db2.gz OHCYECRCFGHRMM-UHFFFAOYSA-N 0 0 428.876 2.733 50 0 IFAARN O=C(NCc1cccnc1N1CCOCC1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000048253683 557052609 /nfs/dbraw/zinc/05/26/09/557052609.db2.gz DTQNINBJKGLHHB-QGZVFWFLSA-N 0 0 449.477 2.865 50 0 IFAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)CN1CCN(C)CC1)CCC2 ZINC000022939033 557053283 /nfs/dbraw/zinc/05/32/83/557053283.db2.gz DZHZKOQIYIHUBB-UHFFFAOYSA-N 0 0 428.558 2.684 50 0 IFAARN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000022938305 557053293 /nfs/dbraw/zinc/05/32/93/557053293.db2.gz DGMARPYRGNLGJY-UHFFFAOYSA-N 0 0 436.512 2.719 50 0 IFAARN CCc1ccc(OC[C@@H](O)CN2CCN(C[C@H](O)COc3ccc(CC)cc3)CC2)cc1 ZINC000022942670 557053871 /nfs/dbraw/zinc/05/38/71/557053871.db2.gz BOLVXGMIEUNXPG-ZEQRLZLVSA-N 0 0 442.600 2.609 50 0 IFAARN Cc1nc(SCC(=O)N(CCC(N)=O)Cc2ccccc2)n(C[C@@H]2CCCO2)c1C ZINC000022955080 557054398 /nfs/dbraw/zinc/05/43/98/557054398.db2.gz ZUMSCHPPWSLPJA-IBGZPJMESA-N 0 0 430.574 2.675 50 0 IFAARN Cc1ccc(OC[C@@H](O)CN2CCN(C[C@H](O)COc3ccc(C)c(C)c3)CC2)cc1C ZINC000022942686 557054524 /nfs/dbraw/zinc/05/45/24/557054524.db2.gz IBBXPASVZXULQY-ZEQRLZLVSA-N 0 0 442.600 2.717 50 0 IFAARN COc1ccc(CN(Cc2csc(-c3ncccn3)n2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000048290188 557055123 /nfs/dbraw/zinc/05/51/23/557055123.db2.gz QAIWLOIHNZOJEA-QGZVFWFLSA-N 0 0 430.555 2.798 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)cc1 ZINC000033275913 557055781 /nfs/dbraw/zinc/05/57/81/557055781.db2.gz PHZLWPXWFRYALL-UHFFFAOYSA-N 0 0 430.530 2.541 50 0 IFAARN C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000048277845 557056711 /nfs/dbraw/zinc/05/67/11/557056711.db2.gz CXUODXGUASQVCX-MRXNPFEDSA-N 0 0 430.530 2.644 50 0 IFAARN C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000023005223 557057145 /nfs/dbraw/zinc/05/71/45/557057145.db2.gz ADVXLZLJEQWCMK-MRXNPFEDSA-N 0 0 428.920 2.512 50 0 IFAARN O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000048278062 557057198 /nfs/dbraw/zinc/05/71/98/557057198.db2.gz ZSNKMRDZUIGRFE-UHFFFAOYSA-N 0 0 444.557 2.956 50 0 IFAARN CCOC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 ZINC000023012741 557057417 /nfs/dbraw/zinc/05/74/17/557057417.db2.gz BWZBKWUWDRCDEE-UHFFFAOYSA-N 0 0 426.473 2.778 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000023013807 557057843 /nfs/dbraw/zinc/05/78/43/557057843.db2.gz NNJCWCLQLPXKPE-UHFFFAOYSA-N 0 0 447.532 2.892 50 0 IFAARN Cc1oc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000048285650 557057931 /nfs/dbraw/zinc/05/79/31/557057931.db2.gz YRIGJUDKPTXJDJ-UHFFFAOYSA-N 0 0 442.497 2.684 50 0 IFAARN COc1ccc(NC(=O)CSc2ccc(N3CCC(C(=O)NC4CC4)CC3)nn2)cc1 ZINC000033277144 557058251 /nfs/dbraw/zinc/05/82/51/557058251.db2.gz KEYHZSHQKUMDMI-UHFFFAOYSA-N 0 0 441.557 2.711 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000048286347 557058468 /nfs/dbraw/zinc/05/84/68/557058468.db2.gz AGKHMJSRVDKRHV-HUUCEWRRSA-N 0 0 428.510 2.532 50 0 IFAARN CCN(CC(=O)NC(C)C)C(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000023043572 557059390 /nfs/dbraw/zinc/05/93/90/557059390.db2.gz MTXWYTMUEGYGGX-UHFFFAOYSA-N 0 0 426.542 2.807 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cc(C)ccn4)C3)c2)no1 ZINC000033279211 557059863 /nfs/dbraw/zinc/05/98/63/557059863.db2.gz UFEKNCPGWXJTDX-CQSZACIVSA-N 0 0 447.542 2.849 50 0 IFAARN O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Br)s1 ZINC000017333578 557060605 /nfs/dbraw/zinc/06/06/05/557060605.db2.gz BTOMMSISBBDBIM-UHFFFAOYSA-N 0 0 431.377 2.821 50 0 IFAARN CCOc1cc(Br)c(CC(=O)N2CCN(c3ncccn3)CC2)cc1OCC ZINC000017339433 557061069 /nfs/dbraw/zinc/06/10/69/557061069.db2.gz ARCAAQXTHHKGIP-UHFFFAOYSA-N 0 0 449.349 2.928 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4nccs4)C3)c2)no1 ZINC000033279117 557061092 /nfs/dbraw/zinc/06/10/92/557061092.db2.gz AFBJYANGAOJBIG-LLVKDONJSA-N 0 0 439.544 2.602 50 0 IFAARN COc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000023075286 557061743 /nfs/dbraw/zinc/06/17/43/557061743.db2.gz VQGUMAQLTLTIRM-UHFFFAOYSA-N 0 0 428.470 2.782 50 0 IFAARN O=C(Nc1cccc(-c2nnco2)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000023075390 557061820 /nfs/dbraw/zinc/06/18/20/557061820.db2.gz FYPMAJCBCYOIOT-HNNXBMFYSA-N 0 0 430.461 2.915 50 0 IFAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)NCc3cccnc3N3CCOCC3)c2)n1 ZINC000048300769 557062390 /nfs/dbraw/zinc/06/23/90/557062390.db2.gz MCWXKQKNVIVRLL-UHFFFAOYSA-N 0 0 434.500 2.553 50 0 IFAARN CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000023080102 557062706 /nfs/dbraw/zinc/06/27/06/557062706.db2.gz AAFNJJFCERTDST-UHFFFAOYSA-N 0 0 426.469 2.677 50 0 IFAARN CCOC(=O)c1sc(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)nc1C ZINC000023095809 557063172 /nfs/dbraw/zinc/06/31/72/557063172.db2.gz YDOSUZGLYQOTDY-JXMROGBWSA-N 0 0 428.558 2.898 50 0 IFAARN Cc1cccc(CN2CCN(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)c1 ZINC000023105564 557063445 /nfs/dbraw/zinc/06/34/45/557063445.db2.gz KTKUNOKUGJUQJJ-OAQYLSRUSA-N 0 0 428.602 2.957 50 0 IFAARN CCCOc1ncccc1CNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000048302633 557063928 /nfs/dbraw/zinc/06/39/28/557063928.db2.gz JQRUHHHJIAXMHV-IAGOWNOFSA-N 0 0 447.557 2.598 50 0 IFAARN CCCOc1ncccc1CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000048302634 557063944 /nfs/dbraw/zinc/06/39/44/557063944.db2.gz JQRUHHHJIAXMHV-IRXDYDNUSA-N 0 0 447.557 2.598 50 0 IFAARN Cc1nccn1-c1cc(CNC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)ccn1 ZINC000048314793 557064724 /nfs/dbraw/zinc/06/47/24/557064724.db2.gz NATOFZIYOPPXMH-HSALFYBXSA-N 0 0 435.528 2.558 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1N1CCOCC1 ZINC000048314639 557064754 /nfs/dbraw/zinc/06/47/54/557064754.db2.gz UTVBFEULTSQCJP-UHFFFAOYSA-N 0 0 441.347 2.773 50 0 IFAARN CCc1noc(Cn2cnc3c4ccccc4n(CC(=O)NC4CCCCC4)c3c2=O)n1 ZINC000033280935 557066800 /nfs/dbraw/zinc/06/68/00/557066800.db2.gz OALJUXRJDINTGF-UHFFFAOYSA-N 0 0 434.500 2.794 50 0 IFAARN CCCn1c2nc(C)n(CCOC)c2c(=O)n(Cc2ccc(Br)cc2)c1=O ZINC000010883231 557067580 /nfs/dbraw/zinc/06/75/80/557067580.db2.gz RIWWZSVBGITASH-UHFFFAOYSA-N 0 0 435.322 2.535 50 0 IFAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc(CN4CCOC4=O)c3)CC2)c(C)o1 ZINC000048333399 557068032 /nfs/dbraw/zinc/06/80/32/557068032.db2.gz GEFYAJZUOOQSAE-UHFFFAOYSA-N 0 0 426.473 2.839 50 0 IFAARN CNC(=O)[C@H]1CN(C(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2O1 ZINC000023174911 557070463 /nfs/dbraw/zinc/07/04/63/557070463.db2.gz XRZRJJKAHISQPI-HJFDCUHHSA-N 0 0 439.556 2.639 50 0 IFAARN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048353932 557072324 /nfs/dbraw/zinc/07/23/24/557072324.db2.gz GTJKZIDLYKXLON-WIYYLYMNSA-N 0 0 448.995 2.757 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000048354778 557072634 /nfs/dbraw/zinc/07/26/34/557072634.db2.gz VLNGPEQLJOGPIG-IIAWOOMASA-N 0 0 438.956 2.869 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cn1 ZINC000048354928 557073560 /nfs/dbraw/zinc/07/35/60/557073560.db2.gz JONHUDRCGJPTMI-UHFFFAOYSA-N 0 0 425.510 2.780 50 0 IFAARN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000048355364 557073936 /nfs/dbraw/zinc/07/39/36/557073936.db2.gz UXWLXVJIZXLQAX-UHFFFAOYSA-N 0 0 430.505 2.859 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1 ZINC000023222502 557074231 /nfs/dbraw/zinc/07/42/31/557074231.db2.gz HIEQBEZQEHERJJ-INIZCTEOSA-N 0 0 445.475 2.877 50 0 IFAARN COc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)c1OC ZINC000023221201 557074251 /nfs/dbraw/zinc/07/42/51/557074251.db2.gz VAVAIEYYMRQRCS-LBPRGKRZSA-N 0 0 437.470 2.512 50 0 IFAARN Cc1ccc(-c2nsc3c2ncn(CC(=O)NCc2ccc4c(c2)OCO4)c3=O)cc1 ZINC000033300069 557078614 /nfs/dbraw/zinc/07/86/14/557078614.db2.gz BQTYFGYZWQZAQF-UHFFFAOYSA-N 0 0 434.477 2.874 50 0 IFAARN O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1CN1CCN(CCOc2ccccc2)CC1 ZINC000023258023 557080198 /nfs/dbraw/zinc/08/01/98/557080198.db2.gz JBODALILMHIUFN-SANMLTNESA-N 0 0 448.567 2.814 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2CCc3[nH]c4ccc(Cl)cc4c(=O)c3C2)cc1 ZINC000048988425 557083020 /nfs/dbraw/zinc/08/30/20/557083020.db2.gz LGRWIFHLFPMBNM-UHFFFAOYSA-N 0 0 425.872 2.965 50 0 IFAARN Cc1cc(C(=O)COC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)s1 ZINC000023327860 557084458 /nfs/dbraw/zinc/08/44/58/557084458.db2.gz UWSUSAVMDDVRJA-QFIPXVFZSA-N 0 0 426.494 2.874 50 0 IFAARN O=C(c1ccccc1F)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023358486 557087067 /nfs/dbraw/zinc/08/70/67/557087067.db2.gz ULTCKAFSQYGLIX-LJQANCHMSA-N 0 0 425.504 2.977 50 0 IFAARN O=C(Cn1nc2c3sc(N4CCCC4)nc3ncn2c1=O)Nc1ccc(Cl)cc1F ZINC000033309150 557090647 /nfs/dbraw/zinc/09/06/47/557090647.db2.gz ADMUJQPOSJCCMR-UHFFFAOYSA-N 0 0 447.883 2.532 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)c3cnn4c3nccc4-c3ccncc3)CC2)cc1 ZINC000049002959 557090768 /nfs/dbraw/zinc/09/07/68/557090768.db2.gz FFTQHTZJGPBQTM-UHFFFAOYSA-N 0 0 426.480 2.956 50 0 IFAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000023444974 557092421 /nfs/dbraw/zinc/09/24/21/557092421.db2.gz VEUOAZDKGYGPOI-UHFFFAOYSA-N 0 0 441.915 2.620 50 0 IFAARN CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1 ZINC000033310208 557093615 /nfs/dbraw/zinc/09/36/15/557093615.db2.gz IPYXKWOPOOMMLW-VQIMIIECSA-N 0 0 431.537 2.757 50 0 IFAARN O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000017529612 557094550 /nfs/dbraw/zinc/09/45/50/557094550.db2.gz HLESFNCQOJIQJE-HXUWFJFHSA-N 0 0 428.510 2.648 50 0 IFAARN CN(C)C(=O)[C@H](OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccccc1 ZINC000017480965 557094561 /nfs/dbraw/zinc/09/45/61/557094561.db2.gz LPLYAUKVAFJPRA-OAHLLOKOSA-N 0 0 431.297 2.627 50 0 IFAARN O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)Nc1nc(-c2cccnc2)cs1 ZINC000049389519 557095037 /nfs/dbraw/zinc/09/50/37/557095037.db2.gz DPEZFELKTWUWLU-UHFFFAOYSA-N 0 0 437.481 2.857 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c(N4C[C@H](C)C[C@@H](C)C4)nccn3c2=O)c(Cl)c1 ZINC000049400283 557095901 /nfs/dbraw/zinc/09/59/01/557095901.db2.gz OZLPQZVJTDJHBS-HUUCEWRRSA-N 0 0 428.924 2.974 50 0 IFAARN Cc1ccccc1N1CCN(C(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)CC1 ZINC000033312759 557096425 /nfs/dbraw/zinc/09/64/25/557096425.db2.gz JBRSCYNJUCJYMA-AREMUKBSSA-N 0 0 446.595 2.865 50 0 IFAARN CN(C)C(=O)[C@@H]1c2ccccc2CCN1CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000033312740 557097158 /nfs/dbraw/zinc/09/71/58/557097158.db2.gz IDXTYNZWYMAIIV-QHCPKHFHSA-N 0 0 440.975 2.676 50 0 IFAARN COC(=O)C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)cc1 ZINC000017588297 557099078 /nfs/dbraw/zinc/09/90/78/557099078.db2.gz BXPUBAJBJDCSIN-SFHVURJKSA-N 0 0 436.917 2.815 50 0 IFAARN O=C(CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)c1c[nH]c2ccccc21 ZINC000011338154 557100575 /nfs/dbraw/zinc/10/05/75/557100575.db2.gz DYCHZZBEXNXSJK-HNNXBMFYSA-N 0 0 427.530 2.750 50 0 IFAARN COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC ZINC000049405894 557100988 /nfs/dbraw/zinc/10/09/88/557100988.db2.gz FORAJEAAVVWKFR-UHFFFAOYSA-N 0 0 449.511 2.628 50 0 IFAARN O=C(NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1)c1ccc(F)c(F)c1 ZINC000049406135 557101236 /nfs/dbraw/zinc/10/12/36/557101236.db2.gz YQUMHEARLCWORP-UHFFFAOYSA-N 0 0 429.402 2.719 50 0 IFAARN Cc1cc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@@H]4C2=O)no1 ZINC000085420759 557101614 /nfs/dbraw/zinc/10/16/14/557101614.db2.gz HIRQDSRUPIDXSW-MCNSXXNHSA-N 0 0 434.279 2.893 50 0 IFAARN CCOc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(OC)cc4)CC3)nn2)cc1 ZINC000049406524 557101844 /nfs/dbraw/zinc/10/18/44/557101844.db2.gz LNIGHWNRRWSAKU-UHFFFAOYSA-N 0 0 449.511 2.709 50 0 IFAARN C[C@@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000017598908 557102505 /nfs/dbraw/zinc/10/25/05/557102505.db2.gz CAJDKTOMMYALFT-SNVBAGLBSA-N 0 0 430.288 2.974 50 0 IFAARN COC(=O)c1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc3nncn3c2)o1 ZINC000049408454 557103350 /nfs/dbraw/zinc/10/33/50/557103350.db2.gz OKIXZLCDAASYFI-UHFFFAOYSA-N 0 0 430.417 2.644 50 0 IFAARN O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)Nc1ccc(F)c(Cl)c1 ZINC000049409265 557104318 /nfs/dbraw/zinc/10/43/18/557104318.db2.gz SWTYZNYQGZDGJD-UHFFFAOYSA-N 0 0 441.912 2.844 50 0 IFAARN O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1cc(Br)cs1 ZINC000585147623 557105423 /nfs/dbraw/zinc/10/54/23/557105423.db2.gz IAYKKORROZINKV-UHFFFAOYSA-N 0 0 442.360 2.974 50 0 IFAARN COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(F)ccc2N3C)cc(OC)c1OC ZINC000049410042 557105572 /nfs/dbraw/zinc/10/55/72/557105572.db2.gz CXUIZCIQLRPYJG-UHFFFAOYSA-N 0 0 443.475 2.664 50 0 IFAARN COc1cccc([C@]2(C)NC(=O)N(CN3CCC(C(=O)N4CCCCCC4)CC3)C2=O)c1 ZINC000023674943 557105664 /nfs/dbraw/zinc/10/56/64/557105664.db2.gz WJYWGVCFODVQCM-DEOSSOPVSA-N 0 0 442.560 2.534 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3cn(-c4cc(N5CCCCC5)ncn4)cn3)CC2)c1 ZINC000049411177 557106115 /nfs/dbraw/zinc/10/61/15/557106115.db2.gz UJELXVJYUGWJBC-UHFFFAOYSA-N 0 0 431.544 2.923 50 0 IFAARN Cc1ccc(N2CN(CC(=O)NCc3ccc(F)cc3)S(=O)(=O)c3cccnc32)cc1 ZINC000049411461 557106602 /nfs/dbraw/zinc/10/66/02/557106602.db2.gz MWCQVJMTCWAFOX-UHFFFAOYSA-N 0 0 440.500 2.945 50 0 IFAARN CN(C(=O)CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)c1ccccc1 ZINC000049411532 557106904 /nfs/dbraw/zinc/10/69/04/557106904.db2.gz STWRPWZTDUCCNR-UHFFFAOYSA-N 0 0 426.473 2.984 50 0 IFAARN Cc1ccc(-c2nc3n(n2)c(=O)c2c(n3CC(=O)N3CCc4ccccc4C3)CCC2)cc1 ZINC000033324788 557106894 /nfs/dbraw/zinc/10/68/94/557106894.db2.gz DMKMZUOTMLYOPM-UHFFFAOYSA-N 0 0 439.519 2.940 50 0 IFAARN COc1ccccc1CCNC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000033325372 557107531 /nfs/dbraw/zinc/10/75/31/557107531.db2.gz TUMHMJIHMZJFKR-INIZCTEOSA-N 0 0 445.566 2.952 50 0 IFAARN O=C(CSc1nnc2c(=O)n(Cc3ccc(F)cc3)ccn12)NCc1cccs1 ZINC000049421437 557108146 /nfs/dbraw/zinc/10/81/46/557108146.db2.gz MSUOBPXATKPFTM-UHFFFAOYSA-N 0 0 429.502 2.548 50 0 IFAARN Cc1nc(C)c(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)o2)s1 ZINC000049449863 557109528 /nfs/dbraw/zinc/10/95/28/557109528.db2.gz VDHQNHQVKADXRS-LLVKDONJSA-N 0 0 439.544 2.663 50 0 IFAARN CSCC[C@@H](NC(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 ZINC000409414842 557110038 /nfs/dbraw/zinc/11/00/38/557110038.db2.gz POXGVPCUSCHJNK-MSOLQXFVSA-N 0 0 437.525 2.988 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)COc1coc(CN3CCCCC3)cc1=O)CC2 ZINC000049543654 557110485 /nfs/dbraw/zinc/11/04/85/557110485.db2.gz VGWCXJKEMIUARB-UHFFFAOYSA-N 0 0 442.512 2.607 50 0 IFAARN O=C(NCCCOc1ccccc1F)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000011355067 557110486 /nfs/dbraw/zinc/11/04/86/557110486.db2.gz YTSPBNGYTGTIGG-UHFFFAOYSA-N 0 0 438.496 2.951 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O ZINC000049550062 557113014 /nfs/dbraw/zinc/11/30/14/557113014.db2.gz JOPXRIOXPOCWPL-QHCPKHFHSA-N 0 0 441.487 2.964 50 0 IFAARN Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011361931 557113645 /nfs/dbraw/zinc/11/36/45/557113645.db2.gz WPIHZBGALOBBMI-UHFFFAOYSA-N 0 0 446.467 2.862 50 0 IFAARN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023762467 557114988 /nfs/dbraw/zinc/11/49/88/557114988.db2.gz OMUHBCWIUKAVTK-VWLOTQADSA-N 0 0 435.568 2.649 50 0 IFAARN COc1ccc2c(c1)CCC[C@]21NC(=O)N(CN(C)CCOc2ccc(F)cc2)C1=O ZINC000049581084 557116241 /nfs/dbraw/zinc/11/62/41/557116241.db2.gz UWJWNPUFMRQCMV-QHCPKHFHSA-N 0 0 427.476 2.886 50 0 IFAARN O=S(=O)(c1cccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)c1)N1CCOCC1 ZINC000049581366 557116313 /nfs/dbraw/zinc/11/63/13/557116313.db2.gz JSTKZBOEXNTUEA-UHFFFAOYSA-N 0 0 449.536 2.805 50 0 IFAARN O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NCCc1c[nH]cn1 ZINC000033332017 557116557 /nfs/dbraw/zinc/11/65/57/557116557.db2.gz SQVSREKTLBGMLU-UHFFFAOYSA-N 0 0 442.317 2.879 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049590074 557116654 /nfs/dbraw/zinc/11/66/54/557116654.db2.gz HHLQNIOTTMCJBQ-LJQANCHMSA-N 0 0 447.539 2.797 50 0 IFAARN C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1=O ZINC000023804804 557116858 /nfs/dbraw/zinc/11/68/58/557116858.db2.gz DKUCXXWOLGDBII-WMZHIEFXSA-N 0 0 433.552 2.875 50 0 IFAARN COCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000033332124 557116957 /nfs/dbraw/zinc/11/69/57/557116957.db2.gz VVGWRMFVFIWUQY-HSZRJFAPSA-N 0 0 429.517 2.578 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2)C1 ZINC000049694049 557117888 /nfs/dbraw/zinc/11/78/88/557117888.db2.gz QWMZQYCCTBBJJI-MLFXKNMZSA-N 0 0 432.546 2.863 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000049693999 557117948 /nfs/dbraw/zinc/11/79/48/557117948.db2.gz ZSYSWLASVLNMKZ-ZJBRJIHHSA-N 0 0 446.573 2.793 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)c2cccc(C)c2)C1 ZINC000049694047 557117988 /nfs/dbraw/zinc/11/79/88/557117988.db2.gz KWSNLEZRZUTLIT-YLZCUGDYSA-N 0 0 446.573 2.887 50 0 IFAARN COc1cc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc(OC)c1Br ZINC000014900396 557119160 /nfs/dbraw/zinc/11/91/60/557119160.db2.gz JPQXSPJHCPTPAR-UHFFFAOYSA-N 0 0 440.338 2.830 50 0 IFAARN CC(C)Cn1nc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c2ccccc2c1=O ZINC000023845202 557119958 /nfs/dbraw/zinc/11/99/58/557119958.db2.gz MEWAAOAQDGLNHK-QFIPXVFZSA-N 0 0 434.540 2.856 50 0 IFAARN CSc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000023235760 557120372 /nfs/dbraw/zinc/12/03/72/557120372.db2.gz QWCYDHBNEAXBHE-QGZVFWFLSA-N 0 0 434.539 2.972 50 0 IFAARN COc1ccc(CCNC(=O)CCCCCn2c(=O)[nH]c3ccsc3c2=O)cc1OC ZINC000004790175 557120573 /nfs/dbraw/zinc/12/05/73/557120573.db2.gz ZKZLPFKIVGBORJ-UHFFFAOYSA-N 0 0 445.541 2.688 50 0 IFAARN CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3ccccc3Br)cc2)CC1 ZINC000023862698 557120977 /nfs/dbraw/zinc/12/09/77/557120977.db2.gz QKWLTSYDHMZRRL-UHFFFAOYSA-N 0 0 439.331 2.885 50 0 IFAARN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000023866189 557121529 /nfs/dbraw/zinc/12/15/29/557121529.db2.gz VUJQSNIDUDCEKS-UHFFFAOYSA-N 0 0 430.508 2.948 50 0 IFAARN COc1cccc(CNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)c1 ZINC000004791713 557124430 /nfs/dbraw/zinc/12/44/30/557124430.db2.gz LWMRLGYHLPTJGJ-UHFFFAOYSA-N 0 0 446.301 2.558 50 0 IFAARN CCCCCn1c(=O)[nH]c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1=O ZINC000004791208 557124869 /nfs/dbraw/zinc/12/48/69/557124869.db2.gz GUQHFSIHXYLSEF-UHFFFAOYSA-N 0 0 439.512 2.870 50 0 IFAARN CCN(Cc1nnc(C(=O)NCc2ccccc2)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023908677 557125232 /nfs/dbraw/zinc/12/52/32/557125232.db2.gz MZJBOOKRDBQPSB-UHFFFAOYSA-N 0 0 434.525 2.727 50 0 IFAARN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(Cc1ccco1)Cc1ccccc1 ZINC000024716769 557126290 /nfs/dbraw/zinc/12/62/90/557126290.db2.gz VHUCVXBONRRRMX-UHFFFAOYSA-N 0 0 425.510 2.519 50 0 IFAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)cc1F ZINC000011375689 557129514 /nfs/dbraw/zinc/12/95/14/557129514.db2.gz MUODTSRFRQKODY-DOTOQJQBSA-N 0 0 449.552 2.861 50 0 IFAARN COc1cc(OC)cc([C@@H](NC(=O)c2cc(S(C)(=O)=O)ccc2C)c2nccn2C)c1 ZINC000024022658 557131965 /nfs/dbraw/zinc/13/19/65/557131965.db2.gz VSXQZZNFBAWPKM-HXUWFJFHSA-N 0 0 443.525 2.669 50 0 IFAARN COc1cc(OC)cc([C@@H](NC(=O)CSc2nc(C)cc(C)n2)c2nccn2C)c1 ZINC000024021680 557131976 /nfs/dbraw/zinc/13/19/76/557131976.db2.gz GYVKTVWQVVHLFH-LJQANCHMSA-N 0 0 427.530 2.842 50 0 IFAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024029090 557132246 /nfs/dbraw/zinc/13/22/46/557132246.db2.gz JYUREEKBNWIBOS-UHFFFAOYSA-N 0 0 440.506 2.678 50 0 IFAARN C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000023248678 557133578 /nfs/dbraw/zinc/13/35/78/557133578.db2.gz SPXPQXZKOQRHRD-GFCCVEGCSA-N 0 0 432.874 2.582 50 0 IFAARN Cc1ccc2[nH]c(SCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3N(C)C)nc2c1 ZINC000024760013 557135308 /nfs/dbraw/zinc/13/53/08/557135308.db2.gz YIXPTOZNMHIZOD-UHFFFAOYSA-N 0 0 447.586 2.918 50 0 IFAARN O=C(CNc1cc2c(cc1Cl)OCCO2)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000010940756 557138376 /nfs/dbraw/zinc/13/83/76/557138376.db2.gz LGXQEHAUDKDIAJ-HNNXBMFYSA-N 0 0 436.917 2.743 50 0 IFAARN CC(C)NC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccco1 ZINC000011426937 557146388 /nfs/dbraw/zinc/14/63/88/557146388.db2.gz OQPXRPMGFKRGOH-GJZGRUSLSA-N 0 0 434.566 2.728 50 0 IFAARN O=C([C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000024457843 557147413 /nfs/dbraw/zinc/14/74/13/557147413.db2.gz VYXYHLMHJWBYKI-UXHICEINSA-N 0 0 429.524 2.977 50 0 IFAARN O=C(NCCCOCC1CC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000024479435 557147948 /nfs/dbraw/zinc/14/79/48/557147948.db2.gz KCCKRLDBBUUNCE-UHFFFAOYSA-N 0 0 446.525 2.805 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(Cc2ccco2)Cc2ccco2)C1=O ZINC000024809607 557149584 /nfs/dbraw/zinc/14/95/84/557149584.db2.gz HLQRRALGCKZXPR-HSZRJFAPSA-N 0 0 436.468 2.763 50 0 IFAARN Nc1nc(CN2CCN(C(=O)c3cccc(Br)c3)CC2)nc2ccccc12 ZINC000024527271 557150166 /nfs/dbraw/zinc/15/01/66/557150166.db2.gz ODHGLOHLMSUAFK-UHFFFAOYSA-N 0 0 426.318 2.933 50 0 IFAARN O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000585148078 557151062 /nfs/dbraw/zinc/15/10/62/557151062.db2.gz GMQSZYSVJZBXPD-HXUWFJFHSA-N 0 0 433.464 2.862 50 0 IFAARN Cc1cnc(C(=O)OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)cn1 ZINC000011480856 557152186 /nfs/dbraw/zinc/15/21/86/557152186.db2.gz OOODOUCMBGYIPE-UHFFFAOYSA-N 0 0 446.529 2.534 50 0 IFAARN CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606628 557153085 /nfs/dbraw/zinc/15/30/85/557153085.db2.gz WMZQPQPGXLORAL-HNNXBMFYSA-N 0 0 435.571 2.926 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)N1CCC(C)CC1 ZINC000011488229 557153094 /nfs/dbraw/zinc/15/30/94/557153094.db2.gz WQWZDSBOCTYZAO-QAPCUYQASA-N 0 0 444.981 2.833 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 ZINC000024609307 557154386 /nfs/dbraw/zinc/15/43/86/557154386.db2.gz RDPQKVKKXXQTMX-UHFFFAOYSA-N 0 0 430.570 2.904 50 0 IFAARN NC(=O)NC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC000011517691 557156798 /nfs/dbraw/zinc/15/67/98/557156798.db2.gz QPCJDAAAXYHUSL-UHFFFAOYSA-N 0 0 447.426 2.637 50 0 IFAARN CCCN1c2ccccc2[C@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)C1=O ZINC000095476701 557157483 /nfs/dbraw/zinc/15/74/83/557157483.db2.gz KGVMCFJKFHWNSB-QFIPXVFZSA-N 0 0 428.456 2.881 50 0 IFAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000024681475 557158417 /nfs/dbraw/zinc/15/84/17/557158417.db2.gz SOBNMUUQFXUNJF-LJQANCHMSA-N 0 0 430.530 2.875 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1 ZINC000024689611 557158764 /nfs/dbraw/zinc/15/87/64/557158764.db2.gz VLMTXLMMDULJNX-UHFFFAOYSA-N 0 0 442.541 2.846 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000043983684 557160684 /nfs/dbraw/zinc/16/06/84/557160684.db2.gz KODMVMIMKLCXNX-UHFFFAOYSA-N 0 0 430.526 2.878 50 0 IFAARN COc1cc(OC)nc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)n1 ZINC000011541029 557161033 /nfs/dbraw/zinc/16/10/33/557161033.db2.gz QWTRKGGWERPQOU-UHFFFAOYSA-N 0 0 432.531 2.803 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cccc(OCc3ccc(F)cc3)c2)NC(=O)NC1 ZINC000024746677 557161437 /nfs/dbraw/zinc/16/14/37/557161437.db2.gz FYZFGCCGRRBVSD-UHFFFAOYSA-N 0 0 428.416 2.692 50 0 IFAARN CCOc1ccc(NC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)N(CC)CC ZINC000011547367 557162075 /nfs/dbraw/zinc/16/20/75/557162075.db2.gz GMMLQGXNVVXHCD-UHFFFAOYSA-N 0 0 439.559 2.546 50 0 IFAARN C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)N1CC(=O)Nc2ccccc21 ZINC000024753426 557162584 /nfs/dbraw/zinc/16/25/84/557162584.db2.gz NZWLAFQQXBGREO-WHEQGISXSA-N 0 0 437.477 2.532 50 0 IFAARN CC(C)[C@H](CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)N1CCOCC1 ZINC000024758418 557163664 /nfs/dbraw/zinc/16/36/64/557163664.db2.gz QYPDCIZKPHNWTB-QFIPXVFZSA-N 0 0 425.529 2.682 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc(C(=O)OC)c1 ZINC000024833630 557166112 /nfs/dbraw/zinc/16/61/12/557166112.db2.gz JNHSUINKRLMLQF-INIZCTEOSA-N 0 0 430.482 2.955 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(=O)n(CCC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000024836569 557166505 /nfs/dbraw/zinc/16/65/05/557166505.db2.gz MJWOOWGYWIYJIF-UHFFFAOYSA-N 0 0 425.510 2.794 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCc1nc2ccccc2o1 ZINC000024775883 557166689 /nfs/dbraw/zinc/16/66/89/557166689.db2.gz DQFQUDUZTZFDGQ-MRXNPFEDSA-N 0 0 430.530 2.592 50 0 IFAARN O=C(CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)Nc1ccc(F)c(F)c1F ZINC000024812259 557168301 /nfs/dbraw/zinc/16/83/01/557168301.db2.gz QQILXDKBYRTWRN-NSHDSACASA-N 0 0 425.432 2.773 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000024858288 557169714 /nfs/dbraw/zinc/16/97/14/557169714.db2.gz VQZUGSLWBGDXGO-FQEVSTJZSA-N 0 0 434.514 2.798 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000024834464 557171579 /nfs/dbraw/zinc/17/15/79/557171579.db2.gz YVTJHVVDIBKJHW-INIZCTEOSA-N 0 0 445.541 2.717 50 0 IFAARN O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000000780766 557176047 /nfs/dbraw/zinc/17/60/47/557176047.db2.gz TUYRVTQKGVBZSK-QGZVFWFLSA-N 0 0 440.924 2.965 50 0 IFAARN C[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(S(C)(=O)=O)cc1 ZINC000010966434 557176229 /nfs/dbraw/zinc/17/62/29/557176229.db2.gz UCSGXUFKPTVNQL-AWEZNQCLSA-N 0 0 441.505 2.941 50 0 IFAARN C[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(S(C)(=O)=O)cc1 ZINC000010966445 557176285 /nfs/dbraw/zinc/17/62/85/557176285.db2.gz UCSGXUFKPTVNQL-CQSZACIVSA-N 0 0 441.505 2.941 50 0 IFAARN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)OCC(=O)c1ccc2c(c1)OCO2 ZINC000024882119 557176574 /nfs/dbraw/zinc/17/65/74/557176574.db2.gz UMNFDERVYXKMRJ-UHFFFAOYSA-N 0 0 433.482 2.840 50 0 IFAARN O=C(NCc1nc2ccccc2s1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000024925203 557179824 /nfs/dbraw/zinc/17/98/24/557179824.db2.gz DDUCEXXNEKDAEI-OAHLLOKOSA-N 0 0 431.539 2.684 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCn3c(C)nc4ccccc43)C2)s1 ZINC000024928485 557180458 /nfs/dbraw/zinc/18/04/58/557180458.db2.gz VGBPKVMZDFCEQU-KRWDZBQOSA-N 0 0 446.598 2.932 50 0 IFAARN Cn1c2c(c(=O)n(C)c1=O)n(CCCc1ccccc1)c1nnc(-c3ccc(F)cc3)n12 ZINC000010969740 557181030 /nfs/dbraw/zinc/18/10/30/557181030.db2.gz VXDXKRYJJDTFCV-UHFFFAOYSA-N 0 0 432.459 2.520 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc([C@@H]4CCCO4)o3)cc2)C1 ZINC000010970722 557182069 /nfs/dbraw/zinc/18/20/69/557182069.db2.gz LZDURJFBXFJCPQ-CPUCHLNUSA-N 0 0 434.518 2.840 50 0 IFAARN Cc1ccc(Cn2c3nnc(-c4ccc(Cl)cc4)n3c3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000010968825 557183095 /nfs/dbraw/zinc/18/30/95/557183095.db2.gz TUIMOSGTLIMMLX-UHFFFAOYSA-N 0 0 434.887 2.759 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)c1 ZINC000024968802 557183390 /nfs/dbraw/zinc/18/33/90/557183390.db2.gz LCJXHRFQJCISML-UHFFFAOYSA-N 0 0 445.522 2.931 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC ZINC000096211455 557183591 /nfs/dbraw/zinc/18/35/91/557183591.db2.gz OBUZLHDSOKDIAS-PMACEKPBSA-N 0 0 444.503 2.851 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccccc2Cl)cc1 ZINC000000785659 557185457 /nfs/dbraw/zinc/18/54/57/557185457.db2.gz OKSLXQQZAOCSTI-UHFFFAOYSA-N 0 0 449.960 2.568 50 0 IFAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CNc2ccc(-n3cnnn3)cc2)cc1 ZINC000024983262 557185608 /nfs/dbraw/zinc/18/56/08/557185608.db2.gz ZDAUMPZGZSOIPC-UHFFFAOYSA-N 0 0 443.467 2.974 50 0 IFAARN C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000024984756 557185857 /nfs/dbraw/zinc/18/58/57/557185857.db2.gz UHVMLKFNIWZAAX-BEFAXECRSA-N 0 0 430.530 2.777 50 0 IFAARN COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1c(Cl)cccc1Cl ZINC000024985629 557186478 /nfs/dbraw/zinc/18/64/78/557186478.db2.gz DMDPKWGVWFHMSZ-BMIGLBTASA-N 0 0 433.313 2.694 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C)c1 ZINC000009327522 557186706 /nfs/dbraw/zinc/18/67/06/557186706.db2.gz WMOUTZFPIPYWRA-UHFFFAOYSA-N 0 0 436.497 2.534 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ncccc1C)n2C ZINC000024989081 557187051 /nfs/dbraw/zinc/18/70/51/557187051.db2.gz IWHKYXFAYGMFSX-UHFFFAOYSA-N 0 0 429.546 2.879 50 0 IFAARN CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000025008885 557189078 /nfs/dbraw/zinc/18/90/78/557189078.db2.gz UTUGLQNQWBKQIG-UHFFFAOYSA-N 0 0 436.480 2.745 50 0 IFAARN CC1CCN(Cc2csc(NC(=O)c3ccc(CCNS(C)(=O)=O)s3)n2)CC1 ZINC000025011602 557189329 /nfs/dbraw/zinc/18/93/29/557189329.db2.gz YKOFJPBLNPDMTN-UHFFFAOYSA-N 0 0 442.632 2.781 50 0 IFAARN Cn1c2ccccc2sc1=NC(=O)CSCC(=O)N1CCN(c2ccccc2)CC1 ZINC000100825446 557189532 /nfs/dbraw/zinc/18/95/32/557189532.db2.gz PUYZNEDLRMGDIA-FCQUAONHSA-N 0 0 440.594 2.749 50 0 IFAARN COC(=O)c1occc1COC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000025025477 557189723 /nfs/dbraw/zinc/18/97/23/557189723.db2.gz DSGALRMZCYSCKR-UHFFFAOYSA-N 0 0 436.269 2.785 50 0 IFAARN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025047472 557190621 /nfs/dbraw/zinc/19/06/21/557190621.db2.gz CYBXZHWEESUWPK-QGZVFWFLSA-N 0 0 433.549 2.616 50 0 IFAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC(C)(C)c1noc(C(C)(C)C)n1)C2=O ZINC000060211191 557194922 /nfs/dbraw/zinc/19/49/22/557194922.db2.gz QIWAUTYWKSJSSY-WHEQGISXSA-N 0 0 433.553 2.855 50 0 IFAARN CCOC(=O)Cn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)/C=C/c1ccccc1 ZINC000100877367 557195654 /nfs/dbraw/zinc/19/56/54/557195654.db2.gz YMFMDCQMXQAEEH-QYBKTFOTSA-N 0 0 444.534 2.810 50 0 IFAARN COCCn1c2ccc(S(C)(=O)=O)cc2sc1=NC(=O)c1ccc(C(C)=O)cc1 ZINC000100872779 557195760 /nfs/dbraw/zinc/19/57/60/557195760.db2.gz HKKIDSXLADNFIK-MRCUWXFGSA-N 0 0 432.523 2.696 50 0 IFAARN COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000100876068 557197594 /nfs/dbraw/zinc/19/75/94/557197594.db2.gz JAJSKCQUDDCXRT-FCQUAONHSA-N 0 0 437.477 2.579 50 0 IFAARN Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1 ZINC000218419035 557198255 /nfs/dbraw/zinc/19/82/55/557198255.db2.gz PZSVYVZMUOAVFG-INIZCTEOSA-N 0 0 445.449 2.769 50 0 IFAARN Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1 ZINC000218419112 557198398 /nfs/dbraw/zinc/19/83/98/557198398.db2.gz PZSVYVZMUOAVFG-MRXNPFEDSA-N 0 0 445.449 2.769 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc(Cn2ccnc2)c1 ZINC000025169875 557198407 /nfs/dbraw/zinc/19/84/07/557198407.db2.gz XSUMOJYCGZIHJL-UHFFFAOYSA-N 0 0 430.555 2.959 50 0 IFAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 ZINC000025175588 557198679 /nfs/dbraw/zinc/19/86/79/557198679.db2.gz FBFXDWTWMRTXSL-LJQANCHMSA-N 0 0 440.887 2.739 50 0 IFAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCc1nc(-c2cccs2)no1 ZINC000025188694 557199478 /nfs/dbraw/zinc/19/94/78/557199478.db2.gz JOFSPIVDQLIPPU-UHFFFAOYSA-N 0 0 442.497 2.993 50 0 IFAARN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(C)(=O)=O ZINC000000793287 557200338 /nfs/dbraw/zinc/20/03/38/557200338.db2.gz UVOYJGAVMQCMIZ-UHFFFAOYSA-N 0 0 445.541 2.644 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccnc(N2CCOCC2)c1)c1ccccc1 ZINC000025290416 557202662 /nfs/dbraw/zinc/20/26/62/557202662.db2.gz VAPICHTUTSYZMB-QHCPKHFHSA-N 0 0 444.535 2.576 50 0 IFAARN O=S(=O)(Cc1ccc(F)cc1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000025371281 557206242 /nfs/dbraw/zinc/20/62/42/557206242.db2.gz OOXJBEISPTUJAU-UHFFFAOYSA-N 0 0 438.546 2.893 50 0 IFAARN O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000025404479 557208667 /nfs/dbraw/zinc/20/86/67/557208667.db2.gz JTJFBKDWNPUZLH-XMMPIXPASA-N 0 0 446.503 2.766 50 0 IFAARN Cc1cc2oc(=O)cc(CN3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c2cc1C ZINC000025404620 557208748 /nfs/dbraw/zinc/20/87/48/557208748.db2.gz QOEGHHPWTIFKRG-QHCPKHFHSA-N 0 0 434.492 2.894 50 0 IFAARN COc1ccc(CCNC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)cc1OC ZINC000011613629 557209507 /nfs/dbraw/zinc/20/95/07/557209507.db2.gz NDMFLWSZOKAIOC-OAHLLOKOSA-N 0 0 429.542 2.535 50 0 IFAARN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cn1 ZINC000010990791 557210395 /nfs/dbraw/zinc/21/03/95/557210395.db2.gz REYBKIYEOPUZAG-UHFFFAOYSA-N 0 0 437.521 2.767 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1C ZINC000010985002 557210714 /nfs/dbraw/zinc/21/07/14/557210714.db2.gz ANGWGGOOHZXCAG-AWEZNQCLSA-N 0 0 441.509 2.648 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(OC)nc3)cc2)cc1 ZINC000010989990 557211894 /nfs/dbraw/zinc/21/18/94/557211894.db2.gz VOYZZTGHRMCVKF-UHFFFAOYSA-N 0 0 427.482 2.830 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)cc1 ZINC000169770606 557212143 /nfs/dbraw/zinc/21/21/43/557212143.db2.gz BHITUJWRQGBSAP-UHFFFAOYSA-N 0 0 440.475 2.796 50 0 IFAARN O=C(Nc1ccc(-n2cccn2)cc1)c1nc(N2CCOCC2)ncc1Br ZINC000072243424 557213405 /nfs/dbraw/zinc/21/34/05/557213405.db2.gz BTLFSKNKMULVKG-UHFFFAOYSA-N 0 0 429.278 2.514 50 0 IFAARN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)CC3 ZINC000025543390 557213746 /nfs/dbraw/zinc/21/37/46/557213746.db2.gz ULFNXXIUYFEPFF-UHFFFAOYSA-N 0 0 439.537 2.696 50 0 IFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1csc(-c2ccccc2)n1 ZINC000025540746 557213753 /nfs/dbraw/zinc/21/37/53/557213753.db2.gz NYZXOGCYAONLSG-UHFFFAOYSA-N 0 0 442.493 2.967 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)OCc2nc3ccccc3c(C)c2C(=O)OC)c1 ZINC000025606004 557218710 /nfs/dbraw/zinc/21/87/10/557218710.db2.gz CARRTGDKVSXPRM-UHFFFAOYSA-N 0 0 428.466 2.595 50 0 IFAARN CCn1c2ccccc2n(CCC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1=O ZINC000025638392 557220380 /nfs/dbraw/zinc/22/03/80/557220380.db2.gz QYGXATIUJCTTBJ-JOCHJYFZSA-N 0 0 440.519 2.542 50 0 IFAARN O=C(CSc1n[nH]c(-c2cccs2)n1)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000025685669 557222018 /nfs/dbraw/zinc/22/20/18/557222018.db2.gz ZTSXRFXMWBTRCL-INIZCTEOSA-N 0 0 429.571 2.643 50 0 IFAARN CC(C)(C)NC(=O)CN1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000025688367 557222050 /nfs/dbraw/zinc/22/20/50/557222050.db2.gz ONWSBMOHYQRRFK-UHFFFAOYSA-N 0 0 446.773 2.540 50 0 IFAARN Cc1c(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cnn1-c1ccc(Cl)cc1 ZINC000025775220 557225536 /nfs/dbraw/zinc/22/55/36/557225536.db2.gz BTUTUEKVAKMMDM-UHFFFAOYSA-N 0 0 435.889 2.717 50 0 IFAARN CCOC(=O)CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 ZINC000025869732 557229178 /nfs/dbraw/zinc/22/91/78/557229178.db2.gz YDIFTJOYRRRFMZ-UHFFFAOYSA-N 0 0 425.551 2.599 50 0 IFAARN CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)[C@@H](c2ccccc2)C1 ZINC000018030310 557229675 /nfs/dbraw/zinc/22/96/75/557229675.db2.gz TUPXLMWYCKYIEY-OAQYLSRUSA-N 0 0 445.560 2.742 50 0 IFAARN O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000247812568 557230316 /nfs/dbraw/zinc/23/03/16/557230316.db2.gz BDSKBRPHWHGMNR-FGTMMUONSA-N 0 0 433.574 2.567 50 0 IFAARN O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000247812574 557230353 /nfs/dbraw/zinc/23/03/53/557230353.db2.gz BDSKBRPHWHGMNR-OKZBNKHCSA-N 0 0 433.574 2.567 50 0 IFAARN O=C(CCCNC(=O)c1ccco1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025920099 557230419 /nfs/dbraw/zinc/23/04/19/557230419.db2.gz QERGQQVGKYTTKU-UHFFFAOYSA-N 0 0 426.469 2.682 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc1ccccc1N1CCCCC1 ZINC000024391962 557230890 /nfs/dbraw/zinc/23/08/90/557230890.db2.gz RSZSTBABONWKQV-INIZCTEOSA-N 0 0 434.562 2.607 50 0 IFAARN O=C(c1c(F)cccc1F)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O ZINC000011694106 557233234 /nfs/dbraw/zinc/23/32/34/557233234.db2.gz DIQCWGIUNGXJHA-UHFFFAOYSA-N 0 0 429.423 2.570 50 0 IFAARN CC(C)C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1C(=O)c2ccccc2C1=O ZINC000018049648 557233500 /nfs/dbraw/zinc/23/35/00/557233500.db2.gz UVCWNYHOJLLLAX-INIZCTEOSA-N 0 0 447.413 2.870 50 0 IFAARN C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(-n2ccnc2)cc1 ZINC000018047755 557233605 /nfs/dbraw/zinc/23/36/05/557233605.db2.gz JTUQMRDRBAHHMX-WMZOPIPTSA-N 0 0 432.480 2.874 50 0 IFAARN CNS(=O)(=O)c1ccc(CCC(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000026115431 557234833 /nfs/dbraw/zinc/23/48/33/557234833.db2.gz XEAGXYKWTFNHCZ-UHFFFAOYSA-N 0 0 425.890 2.695 50 0 IFAARN O=C(NCCc1cccc(Cl)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000018105682 557237185 /nfs/dbraw/zinc/23/71/85/557237185.db2.gz YAGMJBRAZVKJGY-UHFFFAOYSA-N 0 0 431.945 2.860 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@H](C(N)=O)c3ccccc3)cc2)cc1 ZINC000026218670 557237398 /nfs/dbraw/zinc/23/73/98/557237398.db2.gz LBEIYNFBUXMDTM-FQEVSTJZSA-N 0 0 440.477 2.879 50 0 IFAARN O=C(COC(=O)c1ccc(Cn2cccn2)cc1)N1CCN(Cc2ccccc2F)CC1 ZINC000069950829 557237936 /nfs/dbraw/zinc/23/79/36/557237936.db2.gz WKROOPTUQSMMTO-UHFFFAOYSA-N 0 0 436.487 2.572 50 0 IFAARN O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000100037037 557238497 /nfs/dbraw/zinc/23/84/97/557238497.db2.gz USZSDFMFBFKRGA-IBGZPJMESA-N 0 0 428.330 2.899 50 0 IFAARN CN1c2ccccc2N(C2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)S1(=O)=O ZINC000390829175 557242548 /nfs/dbraw/zinc/24/25/48/557242548.db2.gz DEKSPXLYSMXIJZ-UHFFFAOYSA-N 0 0 439.493 2.599 50 0 IFAARN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000026526914 557243223 /nfs/dbraw/zinc/24/32/23/557243223.db2.gz CTKONFMKZLPOFQ-UHFFFAOYSA-N 0 0 435.889 2.725 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCCn1ccnc1 ZINC000604404137 557246880 /nfs/dbraw/zinc/24/68/80/557246880.db2.gz KCDUCFRQSKWOOA-HSZRJFAPSA-N 0 0 443.507 2.985 50 0 IFAARN COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(Nc4cccc(OC)c4)CC3)C2=O)cc1 ZINC000100209968 557247706 /nfs/dbraw/zinc/24/77/06/557247706.db2.gz BLBPLMJXFGFVHR-NRFANRHFSA-N 0 0 437.496 2.690 50 0 IFAARN CC1=C(C(=O)OC(C)C)C(c2ccc(OCC(N)=O)cc2)C(C(=O)OC(C)C)=C(C)N1 ZINC000026770715 557247737 /nfs/dbraw/zinc/24/77/37/557247737.db2.gz PZAPAMJLYOMUIO-UHFFFAOYSA-N 0 0 430.501 2.689 50 0 IFAARN O=C(NCCN1CCOCC1)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000026771074 557247807 /nfs/dbraw/zinc/24/78/07/557247807.db2.gz YDHRVCGJXOVLIU-UHFFFAOYSA-N 0 0 430.210 2.612 50 0 IFAARN Cc1cc([C@H](C)NS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)c(C)s1 ZINC000026834099 557249522 /nfs/dbraw/zinc/24/95/22/557249522.db2.gz JOBQDIYXKDGOMJ-ZDUSSCGKSA-N 0 0 434.580 2.805 50 0 IFAARN C[C@H](OC(=O)CCN1C(=O)COc2ccccc21)C(=O)NCCc1c[nH]c2ccccc12 ZINC000026858577 557249769 /nfs/dbraw/zinc/24/97/69/557249769.db2.gz HXXBHOIBWDASBD-INIZCTEOSA-N 0 0 435.480 2.574 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CCCn1c2ccccc2oc1=O ZINC000026889898 557250130 /nfs/dbraw/zinc/25/01/30/557250130.db2.gz GKTRZYJIVRFKBC-UHFFFAOYSA-N 0 0 445.497 2.920 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000026935087 557251806 /nfs/dbraw/zinc/25/18/06/557251806.db2.gz FMCFXKKVYFCUHO-GOSISDBHSA-N 0 0 431.533 2.707 50 0 IFAARN NS(=O)(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000018211644 557252162 /nfs/dbraw/zinc/25/21/62/557252162.db2.gz UGRNAMCLIKFIJF-JQBYJRRVSA-N 0 0 430.485 2.731 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(C(=O)OC)c1 ZINC000018219527 557252245 /nfs/dbraw/zinc/25/22/45/557252245.db2.gz NWIBQVMWTSOPOW-AWEZNQCLSA-N 0 0 428.441 2.818 50 0 IFAARN CS(=O)(=O)Nc1cccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000018216127 557252628 /nfs/dbraw/zinc/25/26/28/557252628.db2.gz CZVRAZIJDYMWGZ-UHFFFAOYSA-N 0 0 436.843 2.967 50 0 IFAARN CCOc1ccc(OCCNC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000018242751 557253269 /nfs/dbraw/zinc/25/32/69/557253269.db2.gz BQOVELIZMCAYNL-UHFFFAOYSA-N 0 0 435.406 2.953 50 0 IFAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390829412 557253456 /nfs/dbraw/zinc/25/34/56/557253456.db2.gz DZNSNAQZYXDXMY-VLIAUNLRSA-N 0 0 435.473 2.710 50 0 IFAARN CCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 ZINC000018281227 557254979 /nfs/dbraw/zinc/25/49/79/557254979.db2.gz LXWXMYJLHQNTFH-XMMPIXPASA-N 0 0 434.496 2.501 50 0 IFAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1 ZINC000018287026 557255885 /nfs/dbraw/zinc/25/58/85/557255885.db2.gz PGVYIIWDSOEZLN-CYBMUJFWSA-N 0 0 431.470 2.914 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000812355 557256606 /nfs/dbraw/zinc/25/66/06/557256606.db2.gz HURTYKMCFNUMJD-UHFFFAOYSA-N 0 0 429.473 2.741 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000027119652 557257268 /nfs/dbraw/zinc/25/72/68/557257268.db2.gz MYEVAVCPCCFHFJ-UHFFFAOYSA-N 0 0 434.945 2.925 50 0 IFAARN Cc1cc(=O)c(C(=O)N2CCN(c3nccs3)CC2)nn1-c1ccccc1C(F)(F)F ZINC000027133532 557257428 /nfs/dbraw/zinc/25/74/28/557257428.db2.gz ADXVDJYGIMGFOQ-UHFFFAOYSA-N 0 0 449.458 2.979 50 0 IFAARN O=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000027200678 557258492 /nfs/dbraw/zinc/25/84/92/557258492.db2.gz CKZLMBTYIGTMRB-UHFFFAOYSA-N 0 0 445.285 2.874 50 0 IFAARN CC(=O)N[C@@H](CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1)c1ccccc1 ZINC000027285048 557259659 /nfs/dbraw/zinc/25/96/59/557259659.db2.gz SGFJJTWBCXCULW-UGKGYDQZSA-N 0 0 448.523 2.698 50 0 IFAARN CC(=O)N[C@H](CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1)c1ccccc1 ZINC000027285065 557259697 /nfs/dbraw/zinc/25/96/97/557259697.db2.gz SGFJJTWBCXCULW-DENIHFKCSA-N 0 0 448.523 2.698 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000101125881 557261340 /nfs/dbraw/zinc/26/13/40/557261340.db2.gz IBNDXLOODJGBRG-IEBWSBKVSA-N 0 0 441.871 2.954 50 0 IFAARN CN(C)C(=O)c1cccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000027480586 557262861 /nfs/dbraw/zinc/26/28/61/557262861.db2.gz KQPHUZFQAXXFLD-UHFFFAOYSA-N 0 0 449.477 2.953 50 0 IFAARN COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000100568718 557265032 /nfs/dbraw/zinc/26/50/32/557265032.db2.gz TZZHJDOQGNSIJL-LJQANCHMSA-N 0 0 427.888 2.581 50 0 IFAARN CCCn1ccnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000027574402 557266140 /nfs/dbraw/zinc/26/61/40/557266140.db2.gz GEMGSABAAYUSAJ-UHFFFAOYSA-N 0 0 449.023 2.633 50 0 IFAARN CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)c1 ZINC000027663135 557269451 /nfs/dbraw/zinc/26/94/51/557269451.db2.gz SGBCQGZUEPXYGX-AWEZNQCLSA-N 0 0 448.566 2.805 50 0 IFAARN COc1ccc(C(O)=C2[C@@H](c3ccc(O)c(OC)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000027664401 557270333 /nfs/dbraw/zinc/27/03/33/557270333.db2.gz MFKHXFHMYVBDGS-FCEWJHQRSA-N 0 0 440.374 2.513 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCc2cccnc2)c1 ZINC000027682863 557271665 /nfs/dbraw/zinc/27/16/65/557271665.db2.gz DKXYVMHVVOIPNQ-UHFFFAOYSA-N 0 0 426.336 2.805 50 0 IFAARN CCOC(=O)C1=C(Cn2cnc3ccc(Cl)cc3c2=O)NC(=O)N[C@@H]1c1ccco1 ZINC000027734358 557271884 /nfs/dbraw/zinc/27/18/84/557271884.db2.gz QUYSDOCEMUOGKH-QGZVFWFLSA-N 0 0 428.832 2.514 50 0 IFAARN COc1ccc(N2C(=O)[N-]C(=O)C(=C(NCC[NH+]3CCCCC3)c3ccccc3)C2=O)cc1 ZINC000101355022 557275417 /nfs/dbraw/zinc/27/54/17/557275417.db2.gz NDRJJOJDXVCWCS-DQRAZIAOSA-N 0 0 448.523 2.765 50 0 IFAARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Br)cc2)cc1 ZINC000100816684 557276675 /nfs/dbraw/zinc/27/66/75/557276675.db2.gz OCXOEGZKKXKHMB-OTWHNJEPSA-N 0 0 442.313 2.993 50 0 IFAARN CSCC[C@@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101416824 557284927 /nfs/dbraw/zinc/28/49/27/557284927.db2.gz VATMIQDCCLIWDR-OTWHNJEPSA-N 0 0 443.569 2.814 50 0 IFAARN CCOC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)C(=O)[C@@H]1COC(C)(C)CC1=N2 ZINC000101288355 557285820 /nfs/dbraw/zinc/28/58/20/557285820.db2.gz RRJSXEGKEFQWHH-CQSZACIVSA-N 0 0 441.509 2.972 50 0 IFAARN COc1ccccc1CNC(=O)C1CCC(CNc2c(=O)c(=O)c2N2CCCCC2)CC1 ZINC000101624787 557292798 /nfs/dbraw/zinc/29/27/98/557292798.db2.gz UUHDPWUUQXWCDP-UHFFFAOYSA-N 0 0 439.556 2.816 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@H]3C)cc1OC ZINC000101664678 557293452 /nfs/dbraw/zinc/29/34/52/557293452.db2.gz OALNPBFLJYAQDV-AWEZNQCLSA-N 0 0 430.526 2.621 50 0 IFAARN CN(C)[C@@H](CNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000101703656 557294143 /nfs/dbraw/zinc/29/41/43/557294143.db2.gz TVSMCRVHIJCDOC-FQEVSTJZSA-N 0 0 438.959 2.977 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000101716821 557294634 /nfs/dbraw/zinc/29/46/34/557294634.db2.gz NBGBHYQDHLNULT-HUUCEWRRSA-N 0 0 427.328 2.880 50 0 IFAARN COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)cc1Cl ZINC000011666382 557298067 /nfs/dbraw/zinc/29/80/67/557298067.db2.gz QLSXKQYJZPCCEH-UHFFFAOYSA-N 0 0 427.823 2.998 50 0 IFAARN COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(Cl)cc4)cc3c2=O)c(OC)c1 ZINC000011666398 557298109 /nfs/dbraw/zinc/29/81/09/557298109.db2.gz NYGJCNLUHPOIPH-UHFFFAOYSA-N 0 0 439.859 2.867 50 0 IFAARN COc1cc(NC(=O)Cn2ncn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc(OC)c1 ZINC000011666418 557299389 /nfs/dbraw/zinc/29/93/89/557299389.db2.gz UOESVJAHRHDKKL-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN Cc1cc(Br)ccc1SCC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000014122065 557306181 /nfs/dbraw/zinc/30/61/81/557306181.db2.gz VFXJYWNFMHHMRR-UHFFFAOYSA-N 0 0 428.396 2.518 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)N[C@@H]1c1ccc(O)cc1 ZINC000084520970 557309454 /nfs/dbraw/zinc/30/94/54/557309454.db2.gz UGWXCSWOPVXWNJ-HXUWFJFHSA-N 0 0 444.509 2.654 50 0 IFAARN O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000102129782 557313399 /nfs/dbraw/zinc/31/33/99/557313399.db2.gz SWMCYBFPVVOCCC-GJZGRUSLSA-N 0 0 425.268 2.816 50 0 IFAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C)CC3)N2[C@H]1c1ccccc1F ZINC000103235520 557313998 /nfs/dbraw/zinc/31/39/98/557313998.db2.gz ROBJKIWIAVZUHR-FQEVSTJZSA-N 0 0 444.532 2.738 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NC[C@@H]1CCCc2ccccc21 ZINC000032764681 557315243 /nfs/dbraw/zinc/31/52/43/557315243.db2.gz ADURXVVVMILNDX-KRWDZBQOSA-N 0 0 434.583 2.548 50 0 IFAARN COc1cc(C)c(CN2CCN(CN3C(=O)NC4(CCCCCC4)C3=O)CC2)cc1OC ZINC000032784152 557315912 /nfs/dbraw/zinc/31/59/12/557315912.db2.gz FLYLOLBBBJRBHJ-UHFFFAOYSA-N 0 0 444.576 2.732 50 0 IFAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NCc1cccnc1 ZINC000102288394 557317474 /nfs/dbraw/zinc/31/74/74/557317474.db2.gz OLQBTDCNZUIRBH-OALUTQOASA-N 0 0 427.526 2.544 50 0 IFAARN COCCNC(=O)CSc1ccccc1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000014201752 557317618 /nfs/dbraw/zinc/31/76/18/557317618.db2.gz NKHAJACOVXWOPU-UHFFFAOYSA-N 0 0 433.599 2.561 50 0 IFAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)NCc3ccco3)cc1)c2=O ZINC000032959273 557319205 /nfs/dbraw/zinc/31/92/05/557319205.db2.gz KVGFFNVHPBMAFQ-UHFFFAOYSA-N 0 0 435.461 2.984 50 0 IFAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000102380775 557319847 /nfs/dbraw/zinc/31/98/47/557319847.db2.gz UPNNNTPTZMAHQX-CHWSQXEVSA-N 0 0 431.905 2.509 50 0 IFAARN Cc1ccc(Cl)c(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1Cl ZINC000102396630 557320657 /nfs/dbraw/zinc/32/06/57/557320657.db2.gz QZUZMKDCPQFRDE-RYUDHWBXSA-N 0 0 427.284 2.959 50 0 IFAARN COc1ccccc1CNC(=O)COCc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000032987456 557321845 /nfs/dbraw/zinc/32/18/45/557321845.db2.gz JJCJBLBRXZADKY-UHFFFAOYSA-N 0 0 426.498 2.940 50 0 IFAARN Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)Nc4nccs4)CC3)c2)no1 ZINC000033086501 557322260 /nfs/dbraw/zinc/32/22/60/557322260.db2.gz MSFATMGKPPYOSU-UHFFFAOYSA-N 0 0 433.515 2.541 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN2CCN(Cc3c(C)cc(C)cc3C)S2(=O)=O)c1 ZINC000033045402 557322810 /nfs/dbraw/zinc/32/28/10/557322810.db2.gz NPNSASOHAXKLKT-UHFFFAOYSA-N 0 0 447.557 2.630 50 0 IFAARN COC(=O)CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1C ZINC000014250667 557330197 /nfs/dbraw/zinc/33/01/97/557330197.db2.gz NJNLWFWOYXVCFC-KRWDZBQOSA-N 0 0 436.505 2.793 50 0 IFAARN Cc1cccc(Cn2c(SCC(=O)Nc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000000839523 557337297 /nfs/dbraw/zinc/33/72/97/557337297.db2.gz KOYQXZFCQRYOCP-UHFFFAOYSA-N 0 0 435.509 2.511 50 0 IFAARN O=C(/C=C\c1ccco1)N1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000033410787 557338771 /nfs/dbraw/zinc/33/87/71/557338771.db2.gz MTIRFOKLWNTEMU-KTKRTIGZSA-N 0 0 429.476 2.886 50 0 IFAARN COc1ccccc1C(=O)N1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)CC1 ZINC000023461822 557361210 /nfs/dbraw/zinc/36/12/10/557361210.db2.gz WSTMDKSYMCTRQQ-UHFFFAOYSA-N 0 0 442.523 2.995 50 0 IFAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000023462553 557361585 /nfs/dbraw/zinc/36/15/85/557361585.db2.gz MUMPFHJMEMJZBE-UHFFFAOYSA-N 0 0 444.495 2.851 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C[C@H](c3ccc(Br)cc3)C(C(=O)[C@H]3CO3)=N2)cc1 ZINC000102674773 557363220 /nfs/dbraw/zinc/36/32/20/557363220.db2.gz ZIMLEDCHIJAGIL-IAGOWNOFSA-N 0 0 449.326 2.870 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)CC1 ZINC000100200102 557366231 /nfs/dbraw/zinc/36/62/31/557366231.db2.gz JBNAIMHITWLFDJ-RTBURBONSA-N 0 0 435.480 2.557 50 0 IFAARN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000023875209 557377423 /nfs/dbraw/zinc/37/74/23/557377423.db2.gz IFZPTAWDKQSRJU-UHFFFAOYSA-N 0 0 442.512 2.978 50 0 IFAARN COc1cc(CN(C)C(=O)CSCC(=O)Nc2cc(C)on2)ccc1OC(F)F ZINC000023984194 557390253 /nfs/dbraw/zinc/39/02/53/557390253.db2.gz ZRQYVBUXHQYDNH-UHFFFAOYSA-N 0 0 429.445 2.923 50 0 IFAARN COC(=O)c1ccoc1COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000024037413 557392140 /nfs/dbraw/zinc/39/21/40/557392140.db2.gz HVGFLEXIBXSNLB-INIZCTEOSA-N 0 0 429.878 2.766 50 0 IFAARN CCc1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)s1 ZINC000011694559 557392618 /nfs/dbraw/zinc/39/26/18/557392618.db2.gz LZHFRSYGRSGIDM-UHFFFAOYSA-N 0 0 447.517 2.912 50 0 IFAARN COCCCNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000011696096 557393869 /nfs/dbraw/zinc/39/38/69/557393869.db2.gz UUVKYJWOQKBXMG-KRWDZBQOSA-N 0 0 442.541 2.533 50 0 IFAARN Cc1cc(OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c2c(C)c(C)c(=O)oc2c1 ZINC000072400317 557394202 /nfs/dbraw/zinc/39/42/02/557394202.db2.gz ZKHYCOUAGHYZRV-QGZVFWFLSA-N 0 0 435.542 2.769 50 0 IFAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1nnc(C)s1 ZINC000013956102 557397889 /nfs/dbraw/zinc/39/78/89/557397889.db2.gz KUUGSTLJXNZQSN-UHFFFAOYSA-N 0 0 445.574 2.987 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000102897521 557411100 /nfs/dbraw/zinc/41/11/00/557411100.db2.gz VZFPLWKQYVFYNR-IYBDPMFKSA-N 0 0 445.317 2.808 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000102897524 557411137 /nfs/dbraw/zinc/41/11/37/557411137.db2.gz VZFPLWKQYVFYNR-HZPDHXFCSA-N 0 0 445.317 2.808 50 0 IFAARN COc1ccc(NC(=O)c2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)cc1 ZINC000014105577 557424425 /nfs/dbraw/zinc/42/44/25/557424425.db2.gz PPSIFTOJGSWSJP-UHFFFAOYSA-N 0 0 431.514 2.558 50 0 IFAARN C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000103266920 557432598 /nfs/dbraw/zinc/43/25/98/557432598.db2.gz XSUFDSFPXMQTHC-FPMFFAJLSA-N 0 0 425.466 2.817 50 0 IFAARN COc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccccc4)c3=O)n2)cc1OC ZINC000064998807 557435833 /nfs/dbraw/zinc/43/58/33/557435833.db2.gz GWGBCGQKFLECCJ-UHFFFAOYSA-N 0 0 446.463 2.899 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)NC(=O)COC(=O)c2ccccc2SCC(=O)N(C)C)[C@H]1C ZINC000103439583 557437175 /nfs/dbraw/zinc/43/71/75/557437175.db2.gz GIRBUONXRWSUBU-VYDXJSESSA-N 0 0 449.573 2.674 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 ZINC000103513627 557438068 /nfs/dbraw/zinc/43/80/68/557438068.db2.gz LETHFPKVHTZPFC-WTGUMLROSA-N 0 0 435.867 2.946 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@@H]3C=CC=NN23)cc1OC ZINC000103514087 557438073 /nfs/dbraw/zinc/43/80/73/557438073.db2.gz BNNMIWVCBDLINX-UPZYVNNASA-N 0 0 445.475 2.609 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCSCc1ccc(Br)s1 ZINC000103512086 557438148 /nfs/dbraw/zinc/43/81/48/557438148.db2.gz RQGQEWRNCMWWOC-CHWSQXEVSA-N 0 0 443.388 2.811 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCC[C@H](C)C4)C3)cc2C[C@H]1C ZINC000103712591 557440752 /nfs/dbraw/zinc/44/07/52/557440752.db2.gz FJGWATLDWQXNBH-SCTDSRPQSA-N 0 0 447.601 2.643 50 0 IFAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000104001083 557448610 /nfs/dbraw/zinc/44/86/10/557448610.db2.gz JWUHDINBJVAKMJ-IAGOWNOFSA-N 0 0 436.464 2.714 50 0 IFAARN COc1cccc(CN(C[C@H](O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000104128672 557450936 /nfs/dbraw/zinc/45/09/36/557450936.db2.gz CHLXXYQDTALRRI-OALUTQOASA-N 0 0 439.961 2.778 50 0 IFAARN COCCn1c2ncccc2nc1[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000097078229 557453110 /nfs/dbraw/zinc/45/31/10/557453110.db2.gz ODIJBSHIHRQQJK-SFHVURJKSA-N 0 0 426.542 2.745 50 0 IFAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)NCc2ccco2)cc1 ZINC000051316551 557464379 /nfs/dbraw/zinc/46/43/79/557464379.db2.gz MUPKFERIMCEQBL-UHFFFAOYSA-N 0 0 425.470 2.509 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000104942029 557466038 /nfs/dbraw/zinc/46/60/38/557466038.db2.gz ARVLAYXAHPFTEU-VGOFRKELSA-N 0 0 442.560 2.533 50 0 IFAARN Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)ncn3n2)c1 ZINC000051317042 557466385 /nfs/dbraw/zinc/46/63/85/557466385.db2.gz OHSUFPRQPMFERG-UHFFFAOYSA-N 0 0 431.452 2.585 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(COc2ccc(C)cc2C)n1N ZINC000018372585 557500044 /nfs/dbraw/zinc/50/00/44/557500044.db2.gz QNMIQBARMBHSKO-OAHLLOKOSA-N 0 0 429.550 2.657 50 0 IFAARN Cc1cc(C(=O)COC(=O)c2csc(S(N)(=O)=O)c2)c(C)n1Cc1cccs1 ZINC000018387734 557509057 /nfs/dbraw/zinc/50/90/57/557509057.db2.gz OTURODGMSIKILM-UHFFFAOYSA-N 0 0 438.552 2.963 50 0 IFAARN CCn1c(CN2CCOCC2)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000019852468 557509322 /nfs/dbraw/zinc/50/93/22/557509322.db2.gz KLCMUBFNCDAKQA-UHFFFAOYSA-N 0 0 425.352 2.868 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)o1 ZINC000046776491 557512696 /nfs/dbraw/zinc/51/26/96/557512696.db2.gz OHEYCELZTDDPAP-UHFFFAOYSA-N 0 0 448.522 2.818 50 0 IFAARN Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000024597674 557512994 /nfs/dbraw/zinc/51/29/94/557512994.db2.gz HCRWMVXEVKHQTR-KRWDZBQOSA-N 0 0 426.897 2.959 50 0 IFAARN CSc1nn(CC(=O)NC[C@H]2CCCO2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000046915157 557514034 /nfs/dbraw/zinc/51/40/34/557514034.db2.gz QDAUEXRYSMTZEQ-CQSZACIVSA-N 0 0 428.518 2.508 50 0 IFAARN CSc1nn(CC(=O)NC[C@@H]2CCCO2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000046915153 557514044 /nfs/dbraw/zinc/51/40/44/557514044.db2.gz QDAUEXRYSMTZEQ-AWEZNQCLSA-N 0 0 428.518 2.508 50 0 IFAARN COc1cc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1O ZINC000106213791 557523322 /nfs/dbraw/zinc/52/33/22/557523322.db2.gz WCMOOBPRZMZNNB-RLFYNMQTSA-N 0 0 426.416 2.670 50 0 IFAARN O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031353 557524187 /nfs/dbraw/zinc/52/41/87/557524187.db2.gz IEQSXGBERDQXLS-AWEZNQCLSA-N 0 0 431.894 2.692 50 0 IFAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012029724 557524879 /nfs/dbraw/zinc/52/48/79/557524879.db2.gz ICPANZQJNLVBOC-CQSZACIVSA-N 0 0 431.894 2.692 50 0 IFAARN CC(C)Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012029771 557524939 /nfs/dbraw/zinc/52/49/39/557524939.db2.gz CJDZNSGUVUZSMR-QGZVFWFLSA-N 0 0 437.539 2.687 50 0 IFAARN O=C(NCCn1ncc2c1ncn(Cc1ccccc1F)c2=O)c1ccc(Cl)cc1 ZINC000012071555 557526564 /nfs/dbraw/zinc/52/65/64/557526564.db2.gz TTYRRHSHBOSQFJ-UHFFFAOYSA-N 0 0 425.851 2.864 50 0 IFAARN O=C(Cc1cccs1)NCCn1ncc2c1ncn(Cc1cccc(Cl)c1)c2=O ZINC000012071472 557526574 /nfs/dbraw/zinc/52/65/74/557526574.db2.gz BYXLTWBTGMESRN-UHFFFAOYSA-N 0 0 427.917 2.715 50 0 IFAARN CCOc1ccc(CC(=O)NCCn2ncc3c2ncn(Cc2ccccc2F)c3=O)cc1 ZINC000012071606 557526635 /nfs/dbraw/zinc/52/66/35/557526635.db2.gz YLQZSARMEZDWEE-UHFFFAOYSA-N 0 0 449.486 2.538 50 0 IFAARN O=C(NCCn1ncc2c1ncn(Cc1ccccc1F)c2=O)c1cc2ccccc2o1 ZINC000012071627 557526843 /nfs/dbraw/zinc/52/68/43/557526843.db2.gz XKEQGGSBKSEZJG-UHFFFAOYSA-N 0 0 431.427 2.957 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)cc1)O[C@@H](C)C(=O)N2 ZINC000106324839 557528188 /nfs/dbraw/zinc/52/81/88/557528188.db2.gz UDEJZKSQDKFBPF-GUYCJALGSA-N 0 0 447.488 2.645 50 0 IFAARN C[C@]1(C2CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccncc2)C1=O ZINC000012184513 557528493 /nfs/dbraw/zinc/52/84/93/557528493.db2.gz ZWDLXNRPLAJSIU-HSZRJFAPSA-N 0 0 442.466 2.652 50 0 IFAARN COc1ccccc1NC(=O)c1nnsc1NC(=O)N1CCN(c2ccccn2)CC1 ZINC000025184205 557529078 /nfs/dbraw/zinc/52/90/78/557529078.db2.gz VCDSNHXYLLXJFR-UHFFFAOYSA-N 0 0 439.501 2.548 50 0 IFAARN CCOC(=O)c1csc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2ccccc2)n1 ZINC000025186281 557529308 /nfs/dbraw/zinc/52/93/08/557529308.db2.gz GMSVUETZESTEQY-UHFFFAOYSA-N 0 0 425.514 2.560 50 0 IFAARN Cc1ccc2c(c1)c(=O)n(-c1ccccc1F)c(=O)n2[C@@H](C)C(=O)NCc1cccnc1 ZINC000106513755 557529579 /nfs/dbraw/zinc/52/95/79/557529579.db2.gz GBFVVLXKDZTOJF-INIZCTEOSA-N 0 0 432.455 2.872 50 0 IFAARN COc1ccc([C@@H]2[C@@H](S(=O)(=O)NCC3CC3)CON2C)cc1OCc1ccccc1 ZINC000106610851 557530418 /nfs/dbraw/zinc/53/04/18/557530418.db2.gz CQFZEABZDVSLNV-FCHUYYIVSA-N 0 0 432.542 2.890 50 0 IFAARN O=C(Nc1nnc2n1NC(=O)C(CC(=O)c1ccccc1)N2)Nc1ccc(Cl)cc1 ZINC000198718266 557531346 /nfs/dbraw/zinc/53/13/46/557531346.db2.gz SRUIFABGZASVEX-MRXNPFEDSA-N 0 0 425.836 2.797 50 0 IFAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O ZINC000044840679 557539311 /nfs/dbraw/zinc/53/93/11/557539311.db2.gz ODNOSMXDRKVZQW-AWEZNQCLSA-N 0 0 441.484 2.799 50 0 IFAARN C[C@H]1CN([C@H](CNC(=O)C2(N3CCOCC3)CCC2)c2c(F)cccc2Cl)CCO1 ZINC000108156927 557541812 /nfs/dbraw/zinc/54/18/12/557541812.db2.gz YZVVCKDWANFVSW-QFBILLFUSA-N 0 0 439.959 2.612 50 0 IFAARN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)C1 ZINC000108174580 557541997 /nfs/dbraw/zinc/54/19/97/557541997.db2.gz AFJRDKZSKWDLSA-UAOJZALGSA-N 0 0 428.485 2.951 50 0 IFAARN CSCC[C@@H](NC(=O)[C@@H]1CCCN(c2nc(C)cc(C)n2)C1)c1nnc2ccccn21 ZINC000108514028 557542935 /nfs/dbraw/zinc/54/29/35/557542935.db2.gz FIROJLYMDIRMDX-QZTJIDSGSA-N 0 0 439.589 2.963 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CN1CCN(Cc3ccccn3)CC1)CCCC2 ZINC000045606352 557544373 /nfs/dbraw/zinc/54/43/73/557544373.db2.gz JSUFXIBXTKCBAD-UHFFFAOYSA-N 0 0 428.558 2.565 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(=O)c2cc(-c3cccs3)nn21 ZINC000045925870 557550403 /nfs/dbraw/zinc/55/04/03/557550403.db2.gz BFGFRLDAKBRQDI-UHFFFAOYSA-N 0 0 441.494 2.664 50 0 IFAARN COc1cc(C(=O)Nc2cc(-n3cnnn3)ccc2N2CCCCC2)cc(OC)c1OC ZINC000045961257 557555038 /nfs/dbraw/zinc/55/50/38/557555038.db2.gz NKPYWJVJDTYRGV-UHFFFAOYSA-N 0 0 438.488 2.931 50 0 IFAARN COc1ccc(-c2nn3c(nc(CNC(=O)COc4ccc(F)cc4)cc3=O)s2)cc1 ZINC000045961497 557555333 /nfs/dbraw/zinc/55/53/33/557555333.db2.gz JWUAFKMEIVJDOB-UHFFFAOYSA-N 0 0 440.456 2.661 50 0 IFAARN Cc1[nH]c(C(=O)N2CCC(CC(=O)NC[C@@H]3CCCO3)CC2)c(C)c1C(=O)OC(C)C ZINC000045974024 557556032 /nfs/dbraw/zinc/55/60/32/557556032.db2.gz KBDHFELUXMIXMJ-SFHVURJKSA-N 0 0 433.549 2.734 50 0 IFAARN O=c1c2nnn(Cc3ccc(F)cc3)c2ncn1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000045971015 557558499 /nfs/dbraw/zinc/55/84/99/557558499.db2.gz NJSDKKBVLPDUIR-UHFFFAOYSA-N 0 0 437.822 2.927 50 0 IFAARN COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000606422506 557636042 /nfs/dbraw/zinc/63/60/42/557636042.db2.gz ZTIUOWDLRRZASR-UHFFFAOYSA-N 0 0 445.472 2.778 50 0 IFAARN O=C(Nc1cccc(CNC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)c1)C1CC1 ZINC000040052220 557686366 /nfs/dbraw/zinc/68/63/66/557686366.db2.gz CNARWEJYXLWHCE-WOJBJXKFSA-N 0 0 441.528 2.633 50 0 IFAARN COCCS(=O)(=O)c1ccc(C(=O)N2CCC(O)(Cc3cccc(C)c3)CC2)cc1 ZINC000225433115 557722522 /nfs/dbraw/zinc/72/25/22/557722522.db2.gz OCLZVIFEOZUZGF-UHFFFAOYSA-N 0 0 431.554 2.625 50 0 IFAARN Cn1cc(C(=O)OCc2ccc(Br)cc2COC(=O)c2cnn(C)c2)cn1 ZINC000225466085 557726106 /nfs/dbraw/zinc/72/61/06/557726106.db2.gz WGXRDSULKUQKGU-UHFFFAOYSA-N 0 0 433.262 2.630 50 0 IFAARN CNC(=O)C[C@@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 ZINC000225475629 557727246 /nfs/dbraw/zinc/72/72/46/557727246.db2.gz HVHQUZPISXSISF-ZWKOTPCHSA-N 0 0 444.329 2.796 50 0 IFAARN C[C@@H](CCC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000225496674 557730153 /nfs/dbraw/zinc/73/01/53/557730153.db2.gz YJTLVQVMOJLAEW-ZFWWWQNUSA-N 0 0 440.566 2.752 50 0 IFAARN CN1C(=O)C[C@@H](NC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)C1=O ZINC000225523551 557735517 /nfs/dbraw/zinc/73/55/17/557735517.db2.gz WHFPWMYWFXUOHU-OAHLLOKOSA-N 0 0 434.374 2.837 50 0 IFAARN Cc1nn(C)c(C)c1Cc1nc(-c2cccn3c(I)cnc23)no1 ZINC000225555107 557741633 /nfs/dbraw/zinc/74/16/33/557741633.db2.gz CMDNLOVFKACDNY-UHFFFAOYSA-N 0 0 434.241 2.930 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C(C)C)cc1 ZINC000029317274 557748690 /nfs/dbraw/zinc/74/86/90/557748690.db2.gz NYDZFCRQVUNKMA-NRFANRHFSA-N 0 0 441.503 2.573 50 0 IFAARN COc1ccc(-c2nc(CS(=O)(=O)c3nnc(C4CC4)n3Cc3ccco3)no2)cc1 ZINC000225684551 557763226 /nfs/dbraw/zinc/76/32/26/557763226.db2.gz AZMDDQZRIGBQGY-UHFFFAOYSA-N 0 0 441.469 2.829 50 0 IFAARN COc1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000041024852 557805676 /nfs/dbraw/zinc/80/56/76/557805676.db2.gz HNBJTMGRXPXXKM-QGZVFWFLSA-N 0 0 441.509 2.936 50 0 IFAARN C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2 ZINC000210829934 557806975 /nfs/dbraw/zinc/80/69/75/557806975.db2.gz SPDQRCUBFSRAFI-DOMZBBRYSA-N 0 0 443.857 2.858 50 0 in-vitro IFAARN O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000229631776 557832799 /nfs/dbraw/zinc/83/27/99/557832799.db2.gz XVFQESNBXYQSTJ-CFNVJGFXSA-N 0 0 428.488 2.934 50 0 IFAARN CCOc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)cc1C ZINC000230513085 557835270 /nfs/dbraw/zinc/83/52/70/557835270.db2.gz IXFLQNKKADOSMQ-UHFFFAOYSA-N 0 0 432.542 2.937 50 0 IFAARN COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000870155 557841215 /nfs/dbraw/zinc/84/12/15/557841215.db2.gz BJWVCVVFJQFLGN-UHFFFAOYSA-N 0 0 448.541 2.920 50 0 IFAARN COc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000871753 557845513 /nfs/dbraw/zinc/84/55/13/557845513.db2.gz OKICGNRWZRGOFU-UHFFFAOYSA-N 0 0 434.514 2.530 50 0 IFAARN CC(C)c1c(N2CCC[C@@H](C3OCCO3)C2)ncnc1N1CCC[C@@H](C2OCCO2)C1 ZINC000240465977 557845529 /nfs/dbraw/zinc/84/55/29/557845529.db2.gz GBVQHZUJGOAMRU-QZTJIDSGSA-N 0 0 432.565 2.779 50 0 IFAARN O=C(NCc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000242302277 557847533 /nfs/dbraw/zinc/84/75/33/557847533.db2.gz YRAAKJZIRSWGGY-INIZCTEOSA-N 0 0 429.325 2.699 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000886325 557855566 /nfs/dbraw/zinc/85/55/66/557855566.db2.gz KGQGUKWFHBSXKX-GOSISDBHSA-N 0 0 448.541 2.503 50 0 IFAARN CC(=O)N1CCc2cc(NC(=O)CSc3nnnn3-c3ccc(Cl)cc3)ccc21 ZINC000018709580 557855628 /nfs/dbraw/zinc/85/56/28/557855628.db2.gz PAIRUFJRLRNLII-UHFFFAOYSA-N 0 0 428.905 2.956 50 0 IFAARN O=C(Nc1cc(I)cc(I)c1)[C@H]1CCOC1 ZINC000253423168 569266880 /nfs/dbraw/zinc/26/68/80/569266880.db2.gz STCTYCCIFLNZGE-ZETCQYMHSA-N 0 0 443.022 2.871 50 0 IFAARN CC(=O)c1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 ZINC000001049648 562920194 /nfs/dbraw/zinc/92/01/94/562920194.db2.gz FOTXEOULZFGNOE-UHFFFAOYSA-N 0 0 443.525 2.530 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)O[C@H]1CSC[C@@H]1NC(=O)c1ccccc1 ZINC000001070904 562920235 /nfs/dbraw/zinc/92/02/35/562920235.db2.gz RAJPRPMKDJYCLH-OALUTQOASA-N 0 0 438.505 2.520 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(C)[nH]c(=O)[nH]c2=O)o1 ZINC000001899654 562925302 /nfs/dbraw/zinc/92/53/02/562925302.db2.gz CUPZBCDMDRUQLS-SKDRFNHKSA-N 0 0 425.511 2.659 50 0 IFAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC4)CC(=O)N23)cc1 ZINC000002122714 562925962 /nfs/dbraw/zinc/92/59/62/562925962.db2.gz FMGUJKLXQXGZDI-NZQKXSOJSA-N 0 0 429.476 2.802 50 0 IFAARN COc1cc(-c2noc(CCCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc(OC)c1OC ZINC000002197253 562926164 /nfs/dbraw/zinc/92/61/64/562926164.db2.gz IZQPTACQHDAFHQ-UHFFFAOYSA-N 0 0 440.456 2.823 50 0 IFAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O ZINC000002619717 562928518 /nfs/dbraw/zinc/92/85/18/562928518.db2.gz PRDHHTFXDFITPU-HXUWFJFHSA-N 0 0 428.286 2.805 50 0 IFAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O ZINC000002619718 562928524 /nfs/dbraw/zinc/92/85/24/562928524.db2.gz PRDHHTFXDFITPU-FQEVSTJZSA-N 0 0 428.286 2.805 50 0 IFAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O ZINC000002625231 562928657 /nfs/dbraw/zinc/92/86/57/562928657.db2.gz YQPAJSRACGQPAL-HXUWFJFHSA-N 0 0 445.269 2.870 50 0 IFAARN COC[C@H](C)n1c(SCC(=O)NC(=O)Cc2ccccc2)nc2ccccc2c1=O ZINC000002628346 562928775 /nfs/dbraw/zinc/92/87/75/562928775.db2.gz DOJBMILZXLGWJQ-HNNXBMFYSA-N 0 0 425.510 2.582 50 0 IFAARN COC(=O)c1cc(COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)oc1C ZINC000002637871 562929023 /nfs/dbraw/zinc/92/90/23/562929023.db2.gz BYQZTUCVKZAUMT-UHFFFAOYSA-N 0 0 437.470 2.525 50 0 IFAARN CC(C)CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 ZINC000002652885 562929407 /nfs/dbraw/zinc/92/94/07/562929407.db2.gz UQFZNILIHVLHIK-UHFFFAOYSA-N 0 0 438.575 2.776 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 ZINC000002889315 562930442 /nfs/dbraw/zinc/93/04/42/562930442.db2.gz NBFOIWUHSGFVNS-LLVKDONJSA-N 0 0 435.571 2.506 50 0 IFAARN COCCCNC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000002938798 562930872 /nfs/dbraw/zinc/93/08/72/562930872.db2.gz BWLRXQMEYHILOY-IBGZPJMESA-N 0 0 440.949 2.911 50 0 IFAARN CCOc1cc2[nH]c(=O)n(CCCC(=O)N(C)Cc3ccccc3)c(=O)c2cc1OCC ZINC000002952446 562931094 /nfs/dbraw/zinc/93/10/94/562931094.db2.gz RWFZBQNEHYWYBU-UHFFFAOYSA-N 0 0 439.512 2.926 50 0 IFAARN CC1CCN(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3Cl)CC2)CC1 ZINC000003060408 562932392 /nfs/dbraw/zinc/93/23/92/562932392.db2.gz AFDLYVOVJSFPIL-UHFFFAOYSA-N 0 0 431.961 2.784 50 0 IFAARN NC(=O)C1CCN(C(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1 ZINC000003061871 562932426 /nfs/dbraw/zinc/93/24/26/562932426.db2.gz SLVOBDYJIHVATI-UHFFFAOYSA-N 0 0 445.324 2.898 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000003216204 562932865 /nfs/dbraw/zinc/93/28/65/562932865.db2.gz FVOMCIWXZIXYHF-ZIAGYGMSSA-N 0 0 445.379 2.588 50 0 IFAARN Cc1c(NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000003277460 562933586 /nfs/dbraw/zinc/93/35/86/562933586.db2.gz WEVZYOPCADSQFO-UHFFFAOYSA-N 0 0 440.525 2.521 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000003286105 562933728 /nfs/dbraw/zinc/93/37/28/562933728.db2.gz VZGPFGZGWLYXIF-FQEVSTJZSA-N 0 0 446.887 2.683 50 0 IFAARN COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)sc2c1 ZINC000003309464 562934010 /nfs/dbraw/zinc/93/40/10/562934010.db2.gz GRPFFRUWJFDTTI-UHFFFAOYSA-N 0 0 433.511 2.578 50 0 IFAARN COc1ccc(CC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1OC ZINC000003314205 562934067 /nfs/dbraw/zinc/93/40/67/562934067.db2.gz NLIJLSIIYDVJOZ-UHFFFAOYSA-N 0 0 433.258 2.760 50 0 IFAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)NC1CCCCC1 ZINC000003317801 562934131 /nfs/dbraw/zinc/93/41/31/562934131.db2.gz OFCINMMMXAVXGD-UHFFFAOYSA-N 0 0 428.938 2.730 50 0 IFAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)/C=C/c2cnc3ccccc3n2)c1 ZINC000003389784 562935098 /nfs/dbraw/zinc/93/50/98/562935098.db2.gz PDMWXKRHYCUUNX-RMKNXTFCSA-N 0 0 445.884 2.882 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c1C ZINC000003416467 562935447 /nfs/dbraw/zinc/93/54/47/562935447.db2.gz CWJXHHJGZSZOHY-UHFFFAOYSA-N 0 0 439.468 2.886 50 0 IFAARN CSc1nn(-c2ccc(C(=O)OCC(=O)NC(=O)NC(C)C)cc2)c(=S)s1 ZINC000003441680 562935884 /nfs/dbraw/zinc/93/58/84/562935884.db2.gz SYCMTBGUDZPHJQ-UHFFFAOYSA-N 0 0 426.545 2.776 50 0 IFAARN CSc1nn(-c2ccc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)cc2)c(=S)s1 ZINC000003441669 562935909 /nfs/dbraw/zinc/93/59/09/562935909.db2.gz KOZIEZFIGHRRBR-LLVKDONJSA-N 0 0 426.545 2.761 50 0 IFAARN O=C(CSc1nnc(Nc2ccccc2)s1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000003447463 562935970 /nfs/dbraw/zinc/93/59/70/562935970.db2.gz FDQMSWBRSJYYJL-UHFFFAOYSA-N 0 0 432.531 2.660 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1NC(=O)c1ccco1 ZINC000003486534 562936205 /nfs/dbraw/zinc/93/62/05/562936205.db2.gz RHRRCPYTMHAMDY-UHFFFAOYSA-N 0 0 427.438 2.796 50 0 IFAARN COc1ccccc1CNC(=O)COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000003528870 562936358 /nfs/dbraw/zinc/93/63/58/562936358.db2.gz GRXYNOSZRMNHSA-UHFFFAOYSA-N 0 0 435.480 2.605 50 0 IFAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000003554415 562936417 /nfs/dbraw/zinc/93/64/17/562936417.db2.gz DBOVDDBYSUDFAU-UHFFFAOYSA-N 0 0 444.553 2.873 50 0 IFAARN COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)cc1OC ZINC000003610766 562936744 /nfs/dbraw/zinc/93/67/44/562936744.db2.gz AJXCTFPXGXWOFS-RUZDIDTESA-N 0 0 447.491 2.940 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 ZINC000004101946 562941930 /nfs/dbraw/zinc/94/19/30/562941930.db2.gz FYXTXRVUAMTCLK-UHFFFAOYSA-N 0 0 437.543 2.676 50 0 IFAARN CC[C@H](Sc1ncccc1C(=O)OCCN1CCCC1=O)C(=O)NCc1ccco1 ZINC000004035824 562941203 /nfs/dbraw/zinc/94/12/03/562941203.db2.gz DPZUDUVBAJIZFJ-KRWDZBQOSA-N 0 0 431.514 2.641 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000004035684 562941227 /nfs/dbraw/zinc/94/12/27/562941227.db2.gz LKIVVHXRUQIQSS-UHFFFAOYSA-N 0 0 439.512 2.555 50 0 IFAARN CCn1c(=O)cc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21 ZINC000004101291 562941857 /nfs/dbraw/zinc/94/18/57/562941857.db2.gz ZCLSSFKAYWXDHY-UHFFFAOYSA-N 0 0 425.510 2.691 50 0 IFAARN Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)N1CCC2(CC1)OCCO2 ZINC000004110779 562942045 /nfs/dbraw/zinc/94/20/45/562942045.db2.gz CEEQDMSKHRZVHK-GDLZYMKVSA-N 0 0 438.933 2.918 50 0 IFAARN Cc1cccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)c1 ZINC000004119266 562942164 /nfs/dbraw/zinc/94/21/64/562942164.db2.gz GKLXFONPVGNEDW-QGZVFWFLSA-N 0 0 444.582 2.759 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCc1nc2ccccc2s1 ZINC000004195438 562942638 /nfs/dbraw/zinc/94/26/38/562942638.db2.gz QJHCRQKVOCZVDC-UHFFFAOYSA-N 0 0 446.550 2.993 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 ZINC000006142765 562946286 /nfs/dbraw/zinc/94/62/86/562946286.db2.gz IYAZMFOEKBYHFM-YWZLYKJASA-N 0 0 442.603 2.854 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCCc1ccccn1 ZINC000006165994 562946449 /nfs/dbraw/zinc/94/64/49/562946449.db2.gz VZBQDNPBMPSBCT-UHFFFAOYSA-N 0 0 437.521 2.814 50 0 IFAARN O=C(/C=C/c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000006244401 562946650 /nfs/dbraw/zinc/94/66/50/562946650.db2.gz KDBMWACETLRQAS-FMIVXFBMSA-N 0 0 425.485 2.920 50 0 IFAARN Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3c[nH]cn3)CC2)ccc1Br ZINC000006493411 562946887 /nfs/dbraw/zinc/94/68/87/562946887.db2.gz NRTFVRSOGWORDD-UHFFFAOYSA-N 0 0 427.324 2.520 50 0 IFAARN Cn1cccc1Cc1nnc(SCC(=O)NC[C@@H]2CCCO2)n1-c1ccc(F)cc1 ZINC000006577336 562947532 /nfs/dbraw/zinc/94/75/32/562947532.db2.gz VSPDCSSRROXDMQ-SFHVURJKSA-N 0 0 429.521 2.723 50 0 IFAARN CCOc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000006577303 562947568 /nfs/dbraw/zinc/94/75/68/562947568.db2.gz LUPAZAFRDZAWAD-UHFFFAOYSA-N 0 0 436.515 2.981 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)CC1 ZINC000006577478 562947654 /nfs/dbraw/zinc/94/76/54/562947654.db2.gz PRRVIDLMWMIZGF-UHFFFAOYSA-N 0 0 434.514 2.913 50 0 aggregator IFAARN CCOC(=O)[C@H]1CCCN(C(=O)CCCn2nc(C)n3c4ccsc4cc3c2=O)C1 ZINC000006577477 562947666 /nfs/dbraw/zinc/94/76/66/562947666.db2.gz GELIBRHFHJLZLU-HNNXBMFYSA-N 0 0 430.530 2.601 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000006578009 562948011 /nfs/dbraw/zinc/94/80/11/562948011.db2.gz GSVRLSOJYQWDHX-FQEVSTJZSA-N 0 0 444.509 2.730 50 0 IFAARN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000006821419 562948463 /nfs/dbraw/zinc/94/84/63/562948463.db2.gz DNMISKGVNCVSCQ-ORYQWCPZSA-N 0 0 442.512 2.934 50 0 IFAARN CCN1CCN(C(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc2Cl)CC1 ZINC000008315687 562949158 /nfs/dbraw/zinc/94/91/58/562949158.db2.gz FVXFWTLQBCZYEH-IYBDPMFKSA-N 0 0 427.998 2.784 50 0 IFAARN Cc1cccc(OCC(=O)Nc2nnc(S(=O)(=O)N3CCc4ccccc43)s2)c1 ZINC000008588027 562950595 /nfs/dbraw/zinc/95/05/95/562950595.db2.gz RMPOLIVOXVWPNQ-UHFFFAOYSA-N 0 0 430.511 2.615 50 0 IFAARN COc1cc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1Cl ZINC000008588302 562950703 /nfs/dbraw/zinc/95/07/03/562950703.db2.gz BRTBOXOKUNMCTA-UHFFFAOYSA-N 0 0 427.910 2.733 50 0 IFAARN COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1CC(=O)N1CCCC1)n2C ZINC000008592016 562952216 /nfs/dbraw/zinc/95/22/16/562952216.db2.gz BJQVGXDZVRYZHM-UHFFFAOYSA-N 0 0 446.507 2.584 50 0 IFAARN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000008593631 562952826 /nfs/dbraw/zinc/95/28/26/562952826.db2.gz BYPXMOKEJLKEKS-UHFFFAOYSA-N 0 0 430.486 2.579 50 0 IFAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2)C1 ZINC000008595445 562953492 /nfs/dbraw/zinc/95/34/92/562953492.db2.gz GNSZQWIFWYZZGZ-CYBMUJFWSA-N 0 0 441.351 2.828 50 0 IFAARN CCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(C)cc1)N2 ZINC000008596447 562953829 /nfs/dbraw/zinc/95/38/29/562953829.db2.gz RSXJJYOCJIUFBG-HXUWFJFHSA-N 0 0 429.542 2.873 50 0 IFAARN CC(C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(F)cc1)N2 ZINC000008596783 562953909 /nfs/dbraw/zinc/95/39/09/562953909.db2.gz NADZRMYFLKSKGT-FQEVSTJZSA-N 0 0 447.532 2.949 50 0 IFAARN CCn1cc(C(=O)NCCc2ccc(C)cc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000008597105 562953932 /nfs/dbraw/zinc/95/39/32/562953932.db2.gz AVMWAVWXPFGWFO-UHFFFAOYSA-N 0 0 441.553 2.553 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)Nc1ccc(F)cc1F ZINC000008600907 562955175 /nfs/dbraw/zinc/95/51/75/562955175.db2.gz JVWJGFOFRXNFBO-UHFFFAOYSA-N 0 0 449.479 2.571 50 0 IFAARN O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1 ZINC000008601242 562955231 /nfs/dbraw/zinc/95/52/31/562955231.db2.gz UKBPGRQPMPFJCS-LJQANCHMSA-N 0 0 428.535 2.696 50 0 IFAARN O=C(NCc1ccccc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008601323 562955281 /nfs/dbraw/zinc/95/52/81/562955281.db2.gz UAPCAFPPBONTHK-IBGZPJMESA-N 0 0 446.912 2.881 50 0 IFAARN O=C(NCc1ccccc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008601324 562955301 /nfs/dbraw/zinc/95/53/01/562955301.db2.gz UAPCAFPPBONTHK-LJQANCHMSA-N 0 0 446.912 2.881 50 0 IFAARN Cc1cc(NC(=O)CSc2ncc(C(=O)Nc3ccc(C)c(C)c3)c(=O)n2C)no1 ZINC000008601486 562955345 /nfs/dbraw/zinc/95/53/45/562955345.db2.gz SFQLYHFNUYTAMW-UHFFFAOYSA-N 0 0 427.486 2.677 50 0 IFAARN Cc1ccc(N2C[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2=O)cc1 ZINC000008601595 562955493 /nfs/dbraw/zinc/95/54/93/562955493.db2.gz QOABZWJLENHQDB-LJQANCHMSA-N 0 0 441.553 2.705 50 0 IFAARN Cc1cccc(C(=O)NCC(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1 ZINC000008605486 562956754 /nfs/dbraw/zinc/95/67/54/562956754.db2.gz LPNMWBKWUSASFD-UHFFFAOYSA-N 0 0 440.525 2.980 50 0 IFAARN COc1cc(CN(C(=O)c2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000008612522 562959259 /nfs/dbraw/zinc/95/92/59/562959259.db2.gz PTCFVEYCJLOAAI-SFHVURJKSA-N 0 0 433.526 2.850 50 0 IFAARN COc1ccc(NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)c(OC)c1 ZINC000008614247 562959560 /nfs/dbraw/zinc/95/95/60/562959560.db2.gz KJRAXEBKWNWMGM-UHFFFAOYSA-N 0 0 436.468 2.717 50 0 IFAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000008634895 562960071 /nfs/dbraw/zinc/96/00/71/562960071.db2.gz ZPKSKZJSYGAGGV-LJQANCHMSA-N 0 0 431.242 2.828 50 0 IFAARN CCc1ccccc1Nc1nc(N)nc(COC(=O)CCS(=O)(=O)c2ccccc2)n1 ZINC000008639047 562960117 /nfs/dbraw/zinc/96/01/17/562960117.db2.gz CCKOCCLRJWLXTA-UHFFFAOYSA-N 0 0 441.513 2.667 50 0 IFAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000008666138 562960453 /nfs/dbraw/zinc/96/04/53/562960453.db2.gz DHGZULLJAAUTSF-QGZVFWFLSA-N 0 0 430.526 2.849 50 0 IFAARN CCCCCCn1c2ccccc2nc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000008670766 562960791 /nfs/dbraw/zinc/96/07/91/562960791.db2.gz JIGNOZFREQGVOQ-UHFFFAOYSA-N 0 0 429.546 2.571 50 0 IFAARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000008670787 562960796 /nfs/dbraw/zinc/96/07/96/562960796.db2.gz FJCGBIVYBXEJJO-QGZVFWFLSA-N 0 0 429.567 2.674 50 0 IFAARN O=C(COc1ccc(F)cc1)Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1 ZINC000008831460 562965048 /nfs/dbraw/zinc/96/50/48/562965048.db2.gz TUZVMLWKAZFTDM-UHFFFAOYSA-N 0 0 443.485 2.995 50 0 IFAARN O=C(COc1ccccc1F)Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1 ZINC000008831456 562965054 /nfs/dbraw/zinc/96/50/54/562965054.db2.gz JLPMLLQQKLNGRG-UHFFFAOYSA-N 0 0 443.485 2.995 50 0 IFAARN Cc1cccc(N2C[C@H](C(=O)Nc3nnc(SCCC4OCCO4)s3)CC2=O)c1 ZINC000008905429 562965930 /nfs/dbraw/zinc/96/59/30/562965930.db2.gz QVSIXXWQMPYBRZ-CYBMUJFWSA-N 0 0 434.543 2.693 50 0 IFAARN COC(=O)c1sc2nc(C)nc(SCC(=O)Nc3sccc3C(N)=O)c2c1C ZINC000009120168 562967392 /nfs/dbraw/zinc/96/73/92/562967392.db2.gz VVJWUEQHFIAQDN-UHFFFAOYSA-N 0 0 436.540 2.986 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1c(F)cccc1Cl ZINC000009187474 562968036 /nfs/dbraw/zinc/96/80/36/562968036.db2.gz IIRDXZCQOLILEO-HEVOHVLSSA-N 0 0 447.919 2.870 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C ZINC000009263754 562968593 /nfs/dbraw/zinc/96/85/93/562968593.db2.gz QRIOQCYKMNASDV-GJZGRUSLSA-N 0 0 431.562 2.792 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)cc1 ZINC000009262005 562968599 /nfs/dbraw/zinc/96/85/99/562968599.db2.gz NICZUBHVXKBFDS-UHFFFAOYSA-N 0 0 429.477 2.875 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)cc2C[C@@H]1C ZINC000009396977 562969916 /nfs/dbraw/zinc/96/99/16/562969916.db2.gz MWQCKZUFRYJCPX-SJORKVTESA-N 0 0 447.601 2.643 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2C[C@H]1C ZINC000009396953 562969919 /nfs/dbraw/zinc/96/99/19/562969919.db2.gz MCEQXUDYUWVRQT-MRXNPFEDSA-N 0 0 447.601 2.834 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)cc2C[C@H]1C ZINC000009396979 562970016 /nfs/dbraw/zinc/97/00/16/562970016.db2.gz MWQCKZUFRYJCPX-IAGOWNOFSA-N 0 0 447.601 2.643 50 0 IFAARN COc1cccc(-c2nc3c([nH]c(=O)n3-c3cccc(Cl)c3)c(C(N)=O)n2)c1OC ZINC000009407955 562970193 /nfs/dbraw/zinc/97/01/93/562970193.db2.gz PICQMQGAWWXGCJ-UHFFFAOYSA-N 0 0 425.832 2.545 50 0 IFAARN Cc1cccc(C(=O)Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)c1 ZINC000009430010 562970600 /nfs/dbraw/zinc/97/06/00/562970600.db2.gz PKLCDNRZSFEVJU-HXUWFJFHSA-N 0 0 446.507 2.809 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)cc1 ZINC000009430728 562970630 /nfs/dbraw/zinc/97/06/30/562970630.db2.gz VHOOHCNVWNHBLN-INIZCTEOSA-N 0 0 441.509 2.576 50 0 IFAARN CC[C@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)CC1 ZINC000009430585 562970639 /nfs/dbraw/zinc/97/06/39/562970639.db2.gz IMFJUFRISYECDQ-HEZAVNPASA-N 0 0 449.617 2.984 50 0 IFAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1C ZINC000009432346 562970687 /nfs/dbraw/zinc/97/06/87/562970687.db2.gz GWNWQEMYHLBFIK-UHFFFAOYSA-N 0 0 443.525 2.674 50 0 IFAARN CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc(Br)o2)cc1OC ZINC000009440728 562971135 /nfs/dbraw/zinc/97/11/35/562971135.db2.gz JXNZMYYYWOLWRK-UHFFFAOYSA-N 0 0 425.279 2.838 50 0 IFAARN CN1C(=O)N(C)C(=O)C2(Cc3cc(NC(=O)c4ccccc4)ccc3N3CCC[C@@H]32)C1=O ZINC000009434002 562971005 /nfs/dbraw/zinc/97/10/05/562971005.db2.gz MQQKZEMUHBMNKB-LJQANCHMSA-N 0 0 432.480 2.501 50 0 IFAARN COC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000009441030 562971178 /nfs/dbraw/zinc/97/11/78/562971178.db2.gz NXDQSKXGRIETPF-GFCCVEGCSA-N 0 0 448.522 2.708 50 0 IFAARN COc1cccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1OC ZINC000009465771 562971643 /nfs/dbraw/zinc/97/16/43/562971643.db2.gz OYZULHZIUALEOE-UHFFFAOYSA-N 0 0 438.571 2.825 50 0 IFAARN O=C(CN1CCCSc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009469753 562971804 /nfs/dbraw/zinc/97/18/04/562971804.db2.gz CMPCHBUBVWOBHP-UHFFFAOYSA-N 0 0 431.583 2.522 50 0 IFAARN COc1ccc(NC(=O)CN(C)C(=O)[C@H](CCSC)NC(=O)c2ccccc2)cc1 ZINC000009492185 562972044 /nfs/dbraw/zinc/97/20/44/562972044.db2.gz JDUAKAGCPYLCDJ-IBGZPJMESA-N 0 0 429.542 2.644 50 0 IFAARN O=C(Cc1ccccc1F)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009491924 562972074 /nfs/dbraw/zinc/97/20/74/562972074.db2.gz UMCCLIFIWJEGMZ-UHFFFAOYSA-N 0 0 447.532 2.628 50 0 IFAARN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000009507651 562972478 /nfs/dbraw/zinc/97/24/78/562972478.db2.gz ZYOQVMHGSCPOCA-OAHLLOKOSA-N 0 0 449.960 2.751 50 0 IFAARN CCc1ccccc1NC(=O)CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009508402 562972551 /nfs/dbraw/zinc/97/25/51/562972551.db2.gz WDOJAYAGCQMZSJ-UHFFFAOYSA-N 0 0 441.509 2.689 50 0 IFAARN COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)C(C)(C)C)cc(OC)c1OC ZINC000009561737 562973206 /nfs/dbraw/zinc/97/32/06/562973206.db2.gz SYOKQBCHXVCHMS-AWEZNQCLSA-N 0 0 441.546 2.722 50 0 IFAARN CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000009599623 562973834 /nfs/dbraw/zinc/97/38/34/562973834.db2.gz JZDUSKPCVBDDMP-QGZVFWFLSA-N 0 0 442.497 2.788 50 0 IFAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 ZINC000009660383 562974807 /nfs/dbraw/zinc/97/48/07/562974807.db2.gz VLQWUJBXPFAUME-KRWDZBQOSA-N 0 0 448.527 2.825 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1cccc(C)c1 ZINC000009761754 562976639 /nfs/dbraw/zinc/97/66/39/562976639.db2.gz OEDWXLXCDCALQC-UHFFFAOYSA-N 0 0 425.416 2.874 50 0 IFAARN COc1ccccc1NC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000009775699 562976686 /nfs/dbraw/zinc/97/66/86/562976686.db2.gz ZVSQSURCFWPZEH-UHFFFAOYSA-N 0 0 428.514 2.619 50 0 IFAARN Nc1c(N(Cc2ccco2)C(=O)c2ccccc2F)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000009797226 562976975 /nfs/dbraw/zinc/97/69/75/562976975.db2.gz ZIFGQQKMOUMCRA-UHFFFAOYSA-N 0 0 434.427 2.746 50 0 IFAARN Nc1c(N(Cc2ccco2)C(=O)c2ccc(F)cc2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000009796526 562977034 /nfs/dbraw/zinc/97/70/34/562977034.db2.gz KVNFCMPANJYSOM-UHFFFAOYSA-N 0 0 434.427 2.746 50 0 IFAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 ZINC000009867373 562977630 /nfs/dbraw/zinc/97/76/30/562977630.db2.gz QXJWVNOYHBIIGV-HOYKHHGWSA-N 0 0 437.496 2.533 50 0 IFAARN CCN(C(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1 ZINC000009962339 562978088 /nfs/dbraw/zinc/97/80/88/562978088.db2.gz KUUIGIKDESMTJO-INIZCTEOSA-N 0 0 435.571 2.636 50 0 IFAARN Cc1nonc1CN(C)C(=O)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000012075499 562980719 /nfs/dbraw/zinc/98/07/19/562980719.db2.gz LJHWWHQWJRSZMS-UHFFFAOYSA-N 0 0 435.484 2.729 50 0 IFAARN CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc3c(c1)OCCO3)CCO2 ZINC000012079926 562980786 /nfs/dbraw/zinc/98/07/86/562980786.db2.gz XTWYUWTXHNFZKX-OAQYLSRUSA-N 0 0 437.540 2.563 50 0 IFAARN CCN(CC)C(=O)C[S@@](=O)CC(=O)Nc1cc(OCCOC)c(Cl)cc1Cl ZINC000012858665 562983227 /nfs/dbraw/zinc/98/32/27/562983227.db2.gz BWWJKXIATKJVFK-HHHXNRCGSA-N 0 0 439.361 2.574 50 0 IFAARN CC(C)[C@@H](C(=O)NC[C@H]1CCCO1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012876617 562983393 /nfs/dbraw/zinc/98/33/93/562983393.db2.gz BJLNUBUORVZSKO-YIEPVFBUSA-N 0 0 438.528 2.523 50 0 IFAARN COC(CNC(=O)C[C@H]1C(=O)N(Cc2ccccc2)[C@@H](C)c2nc3ccccc3n21)OC ZINC000013118709 562984553 /nfs/dbraw/zinc/98/45/53/562984553.db2.gz HFPLPEXBLXLDHB-JXFKEZNVSA-N 0 0 436.512 2.806 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2)C1 ZINC000013123597 562984723 /nfs/dbraw/zinc/98/47/23/562984723.db2.gz ZSYSWLASVLNMKZ-ZUUKECRQSA-N 0 0 446.573 2.793 50 0 IFAARN C[C@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(C)c1ccccc1 ZINC000015940839 563019426 /nfs/dbraw/zinc/01/94/26/563019426.db2.gz IUGURFJSCJHJMW-INIZCTEOSA-N 0 0 426.494 2.713 50 0 IFAARN CCCOc1ccc(CNC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)cc1 ZINC000015942035 563019558 /nfs/dbraw/zinc/01/95/58/563019558.db2.gz XXTGWAJAWCWWTF-UHFFFAOYSA-N 0 0 443.573 2.987 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCc3ccc(Cl)cc3)ccc21 ZINC000015943259 563019951 /nfs/dbraw/zinc/01/99/51/563019951.db2.gz POGISXBAKFNRFY-UHFFFAOYSA-N 0 0 434.945 2.772 50 0 IFAARN CCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2c1=O ZINC000015951865 563020317 /nfs/dbraw/zinc/02/03/17/563020317.db2.gz OJILLOYRFBDUDR-IYBDPMFKSA-N 0 0 433.574 2.735 50 0 IFAARN CCc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)no1 ZINC000019147154 563022477 /nfs/dbraw/zinc/02/24/77/563022477.db2.gz BWFZEOUTQMEPDQ-SFHVURJKSA-N 0 0 425.533 2.613 50 0 IFAARN CCOc1ccc2nc(N3CCC(C(=O)NCCCN4CCOCC4)CC3)sc2c1 ZINC000020383381 563024624 /nfs/dbraw/zinc/02/46/24/563024624.db2.gz LSRWPSMBUZSQHM-UHFFFAOYSA-N 0 0 432.590 2.750 50 0 IFAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCCN4CCOCC4)C3)sc2c1 ZINC000020383502 563024644 /nfs/dbraw/zinc/02/46/44/563024644.db2.gz HDRNUPWKOWZRSH-KRWDZBQOSA-N 0 0 432.590 2.750 50 0 IFAARN CN1CCN(C(=O)Cn2ncc3c4ccccc4n(Cc4ccc(Cl)cc4)c3c2=O)CC1 ZINC000020415850 563024835 /nfs/dbraw/zinc/02/48/35/563024835.db2.gz XTYITRSUPZQBSN-UHFFFAOYSA-N 0 0 449.942 2.827 50 0 IFAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]21C ZINC000033746065 563084681 /nfs/dbraw/zinc/08/46/81/563084681.db2.gz OGDQCSZNJSAJKD-OXZGKQAISA-N 0 0 436.520 2.691 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)cc1OC ZINC000036384580 563094395 /nfs/dbraw/zinc/09/43/95/563094395.db2.gz BEHWMNCIXMOXJO-UHFFFAOYSA-N 0 0 438.521 2.618 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c(OC)n1 ZINC000055153053 563142364 /nfs/dbraw/zinc/14/23/64/563142364.db2.gz IMHLVXLVMJRSGR-KRWDZBQOSA-N 0 0 428.508 2.665 50 0 IFAARN COc1ccccc1NC(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O ZINC000056949810 563143011 /nfs/dbraw/zinc/14/30/11/563143011.db2.gz FSQKPHLSOUAQEG-UHFFFAOYSA-N 0 0 449.507 2.988 50 0 IFAARN O=C(COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O)NC1CCCCC1 ZINC000056949825 563143013 /nfs/dbraw/zinc/14/30/13/563143013.db2.gz LISDJWCXJKPHMF-UHFFFAOYSA-N 0 0 443.519 2.929 50 0 IFAARN O=C(Cc1ccc(Cl)cc1)NCCn1ncc2c1ncn(Cc1ccccc1F)c2=O ZINC000012071608 568625220 /nfs/dbraw/zinc/62/52/20/568625220.db2.gz XTXPWWTZMLLPHL-UHFFFAOYSA-N 0 0 439.878 2.793 50 0 IFAARN COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(OC(F)F)cc2)cc1OC ZINC000019006086 568632026 /nfs/dbraw/zinc/63/20/26/568632026.db2.gz RDYWMQQTWHBDAV-UHFFFAOYSA-N 0 0 430.429 2.612 50 0 IFAARN COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl ZINC000019006100 568632027 /nfs/dbraw/zinc/63/20/27/568632027.db2.gz BMMDSPGGELSWSG-UHFFFAOYSA-N 0 0 428.894 2.673 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc2nsnc21 ZINC000019078469 568638500 /nfs/dbraw/zinc/63/85/00/568638500.db2.gz CVIVZHXPOYNPNI-MRXNPFEDSA-N 0 0 444.538 2.725 50 0 IFAARN CCN(CC)C(=O)Cn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O ZINC000000937715 568639270 /nfs/dbraw/zinc/63/92/70/568639270.db2.gz NQANMPFIBUYYNG-UHFFFAOYSA-N 0 0 428.514 2.896 50 0 IFAARN O=c1c(Cl)c(N2CCN(C[C@@H]3CCCO3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000015115643 568644780 /nfs/dbraw/zinc/64/47/80/568644780.db2.gz KGRAXBBYAKANIB-AWEZNQCLSA-N 0 0 443.857 2.601 50 0 IFAARN CCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1CC ZINC000000977059 568648295 /nfs/dbraw/zinc/64/82/95/568648295.db2.gz DUHSNZULAFRKIE-UHFFFAOYSA-N 0 0 438.575 2.795 50 0 IFAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2)n1 ZINC000025344344 568654372 /nfs/dbraw/zinc/65/43/72/568654372.db2.gz KARJXZPNGJWXOV-UHFFFAOYSA-N 0 0 438.553 2.777 50 0 IFAARN CC(=O)N(C[C@@H](O)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000001070444 568654994 /nfs/dbraw/zinc/65/49/94/568654994.db2.gz SDVHDVJKYTZOBK-QZTJIDSGSA-N 0 0 431.286 2.663 50 0 IFAARN CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000015176861 568731861 /nfs/dbraw/zinc/73/18/61/568731861.db2.gz PRCFCRYOQLOXRH-UHFFFAOYSA-N 0 0 438.933 2.941 50 0 IFAARN COCC(=O)N1C[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C[C@@H](c2ccc(F)c(C)c2)C1 ZINC000034715221 568732589 /nfs/dbraw/zinc/73/25/89/568732589.db2.gz NMJFGGWAFZFEKQ-MOPGFXCFSA-N 0 0 442.487 2.758 50 0 IFAARN COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000063376215 568739536 /nfs/dbraw/zinc/73/95/36/568739536.db2.gz UZTJEDVSAVRYMP-ROUUACIJSA-N 0 0 438.908 2.502 50 0 IFAARN O=C(COc1ccccc1)N1CCC(CNC(=O)C(=O)Nc2ccccc2Cl)CC1 ZINC000043941737 568743692 /nfs/dbraw/zinc/74/36/92/568743692.db2.gz FUYKNMACMZLKKM-UHFFFAOYSA-N 0 0 429.904 2.712 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(Br)cc2)c1 ZINC000003248447 568743699 /nfs/dbraw/zinc/74/36/99/568743699.db2.gz IZFHQXWSNJPKKF-UHFFFAOYSA-N 0 0 426.288 2.739 50 0 IFAARN COc1ccccc1NC(=O)N1CCC(CNC(=O)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000043943674 568744020 /nfs/dbraw/zinc/74/40/20/568744020.db2.gz GWZWXOJRNBQXRG-KRWDZBQOSA-N 0 0 438.528 2.933 50 0 IFAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)c1ccccc1 ZINC000003264842 568744249 /nfs/dbraw/zinc/74/42/49/568744249.db2.gz ZOXHOEKWQQNSSQ-UHFFFAOYSA-N 0 0 445.522 2.733 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)NCC1CCN(C(=O)c2cccnc2SC)CC1 ZINC000043960211 568744398 /nfs/dbraw/zinc/74/43/98/568744398.db2.gz JDXPMINKFUWKKC-UHFFFAOYSA-N 0 0 449.598 2.951 50 0 IFAARN COC(=O)c1ccc(-c2cc(-c3ccc(OC)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000003277059 568744791 /nfs/dbraw/zinc/74/47/91/568744791.db2.gz XKUSHLHHZDGXAX-UHFFFAOYSA-N 0 0 431.448 2.761 50 0 IFAARN COc1cc(OC)c(-c2cc(-c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000003306894 568745777 /nfs/dbraw/zinc/74/57/77/568745777.db2.gz RRYMWYVCGLLSSD-UHFFFAOYSA-N 0 0 433.464 2.992 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)c(C)c1 ZINC000003321135 568745995 /nfs/dbraw/zinc/74/59/95/568745995.db2.gz OVMMLBHBEHVVOR-SFHVURJKSA-N 0 0 434.489 2.778 50 0 IFAARN COC(=O)c1sc2[nH]c(CN3CCN(c4ccc(C(C)=O)cc4)CC3)nc(=O)c2c1C ZINC000003343596 568746753 /nfs/dbraw/zinc/74/67/53/568746753.db2.gz DIXNNAFOCSCNCD-UHFFFAOYSA-N 0 0 440.525 2.604 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000003346984 568746800 /nfs/dbraw/zinc/74/68/00/568746800.db2.gz VMMMPBRSASJKFA-SFHVURJKSA-N 0 0 426.469 2.508 50 0 IFAARN COc1ccccc1NC(=O)COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000003393553 568748479 /nfs/dbraw/zinc/74/84/79/568748479.db2.gz DPZBLFMFIVIRJQ-VGSWGCGISA-N 0 0 444.484 2.907 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003426683 568748873 /nfs/dbraw/zinc/74/88/73/568748873.db2.gz FBJWUADHRXBRTF-UHFFFAOYSA-N 0 0 430.404 2.751 50 0 IFAARN CC(C)CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000003431531 568749148 /nfs/dbraw/zinc/74/91/48/568749148.db2.gz WBNGLGGGGFVJLX-MRXNPFEDSA-N 0 0 430.526 2.756 50 0 IFAARN COc1cccc(Cn2nnc3c2ncn(Cc2nc(-c4cccc(Cl)c4)no2)c3=O)c1 ZINC000044166548 568749275 /nfs/dbraw/zinc/74/92/75/568749275.db2.gz ZAAOMIPEDZHKDE-UHFFFAOYSA-N 0 0 449.858 2.797 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000044606409 568754645 /nfs/dbraw/zinc/75/46/45/568754645.db2.gz OYPZRUFXBRMDHW-UHFFFAOYSA-N 0 0 435.340 2.699 50 0 IFAARN CN(Cc1nccn1C)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O ZINC000299764225 568756262 /nfs/dbraw/zinc/75/62/62/568756262.db2.gz QVHDYGPVLMHUDN-NRFANRHFSA-N 0 0 448.445 2.647 50 0 IFAARN CN(C[C@H]1CCCCO1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299766769 568756397 /nfs/dbraw/zinc/75/63/97/568756397.db2.gz HEYBRJJMVCSUPM-BWKNWUBXSA-N 0 0 435.524 2.696 50 0 IFAARN COc1ccc(C(=O)CCC(=O)NC[C@H]2CCC3(CCN(C(=O)C4CC4)CC3)O2)cc1 ZINC000299768470 568756421 /nfs/dbraw/zinc/75/64/21/568756421.db2.gz VKVVLYAIFRITDK-HXUWFJFHSA-N 0 0 428.529 2.725 50 0 IFAARN Cc1nonc1CN(C)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O ZINC000299770143 568756648 /nfs/dbraw/zinc/75/66/48/568756648.db2.gz ZKAZNUTXJNWRJZ-HSZRJFAPSA-N 0 0 442.491 2.895 50 0 IFAARN O=C(CC[C@@]1(Cc2ccccc2)CCC(=O)N1)N1CCN(C(=O)c2cccs2)CC1 ZINC000299783453 568757200 /nfs/dbraw/zinc/75/72/00/568757200.db2.gz YNSAQEFJASHFHO-HSZRJFAPSA-N 0 0 425.554 2.704 50 0 IFAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)N4CCCN(C(C)=O)CC4)C3)nc(C)c2c1 ZINC000299784263 568757241 /nfs/dbraw/zinc/75/72/41/568757241.db2.gz HMAKAFPATWOYMX-LJQANCHMSA-N 0 0 439.560 2.634 50 0 IFAARN COCCNC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)C1 ZINC000299787023 568757554 /nfs/dbraw/zinc/75/75/54/568757554.db2.gz RCYRRVXKVDMGKK-QGZVFWFLSA-N 0 0 439.487 2.601 50 0 IFAARN O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000263585067 568758853 /nfs/dbraw/zinc/75/88/53/568758853.db2.gz DTPJARADYYAORN-MJGOQNOKSA-N 0 0 438.487 2.807 50 0 IFAARN O=C(CCn1nnc2ccccc2c1=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000031893053 568759480 /nfs/dbraw/zinc/75/94/80/568759480.db2.gz GJBSJALTLUFISK-IBGZPJMESA-N 0 0 443.910 2.927 50 0 IFAARN CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000263586257 568759493 /nfs/dbraw/zinc/75/94/93/568759493.db2.gz RULUKYAAVRBAJH-FCHUYYIVSA-N 0 0 447.535 2.989 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(c3ccccc3Cl)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000015402563 568762003 /nfs/dbraw/zinc/76/20/03/568762003.db2.gz BFPGTTFEWOXYJQ-HXUWFJFHSA-N 0 0 444.919 2.926 50 0 IFAARN Cc1ccc(OCC(=O)N2CCN(Cc3nnn4c3CO[C@H](c3ccccc3)C4)CC2)cc1 ZINC000263615437 568776012 /nfs/dbraw/zinc/77/60/12/568776012.db2.gz CKBXJQSCKXKCBO-DEOSSOPVSA-N 0 0 447.539 2.581 50 0 IFAARN Cc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccccc5)no4)c3C2=O)c(C)c1 ZINC000263615258 568776017 /nfs/dbraw/zinc/77/60/17/568776017.db2.gz BLJCLCPKCFLEDJ-UHFFFAOYSA-N 0 0 443.467 2.706 50 0 IFAARN CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(N)=O)CC1 ZINC000263616643 568776796 /nfs/dbraw/zinc/77/67/96/568776796.db2.gz JWYJICFPOAQIHU-UHFFFAOYSA-N 0 0 436.555 2.786 50 0 IFAARN CCOc1ccccc1N1CCN(C(=O)c2nnn3cc(-c4ccccc4)[nH]c(=O)c23)CC1 ZINC000263618030 568777428 /nfs/dbraw/zinc/77/74/28/568777428.db2.gz QXKSXOOCFGTSHC-UHFFFAOYSA-N 0 0 444.495 2.858 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000263618081 568778022 /nfs/dbraw/zinc/77/80/22/568778022.db2.gz RDVHHWVHYONEEP-NRFANRHFSA-N 0 0 437.475 2.660 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O ZINC000263618394 568778176 /nfs/dbraw/zinc/77/81/76/568778176.db2.gz STLFIMGSQKDUKH-GOSISDBHSA-N 0 0 430.508 2.793 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O ZINC000263618395 568778212 /nfs/dbraw/zinc/77/82/12/568778212.db2.gz STLFIMGSQKDUKH-SFHVURJKSA-N 0 0 430.508 2.793 50 0 IFAARN O=C(c1ncn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCC(C(=O)N2CCCC2)CC1 ZINC000263618184 568778228 /nfs/dbraw/zinc/77/82/28/568778228.db2.gz RRCHCHYJTVYBNL-HXUWFJFHSA-N 0 0 426.492 2.768 50 0 IFAARN CC(NC1CC[NH+](Cc2ccccc2)CC1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000001292420 568778449 /nfs/dbraw/zinc/77/84/49/568778449.db2.gz GZKHBDYXZKMDPO-RELWKKBWSA-N 0 0 432.524 2.793 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc2c(c1)OCO2 ZINC000032123956 568781711 /nfs/dbraw/zinc/78/17/11/568781711.db2.gz BNRCGFXRASFFRO-AVRDEDQJSA-N 0 0 448.479 2.580 50 0 IFAARN CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)CC1 ZINC000004143877 568781928 /nfs/dbraw/zinc/78/19/28/568781928.db2.gz YXAMUPZTXUTTFO-HNNXBMFYSA-N 0 0 430.835 2.762 50 0 IFAARN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2N2CCCN12 ZINC000019171462 568782347 /nfs/dbraw/zinc/78/23/47/568782347.db2.gz PMSDETNOPBQOLI-OTWHNJEPSA-N 0 0 442.313 2.993 50 0 IFAARN COC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(O)c(Cc3ccccc3)n21 ZINC000001399029 568785680 /nfs/dbraw/zinc/78/56/80/568785680.db2.gz XXEFJTQZCLGDOQ-INIZCTEOSA-N 0 0 439.493 2.811 50 0 IFAARN COCCNS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 ZINC000223236312 568786554 /nfs/dbraw/zinc/78/65/54/568786554.db2.gz DGILEEZKSQJTQA-UHFFFAOYSA-N 0 0 433.461 2.799 50 0 IFAARN COCCNS(=O)(=O)Cc1cccc(NC(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)c1 ZINC000223238813 568786560 /nfs/dbraw/zinc/78/65/60/568786560.db2.gz ZKVUGSVBMDEGAV-UHFFFAOYSA-N 0 0 445.541 2.625 50 0 IFAARN NS(=O)(=O)c1ccc(CCn2ccc(O)c(Cc3c(F)cccc3Cl)c2=O)cc1 ZINC000001405645 568786805 /nfs/dbraw/zinc/78/68/05/568786805.db2.gz UQGPQKYZUUVVMY-UHFFFAOYSA-N 0 0 436.892 2.827 50 0 IFAARN CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](CC)O3)c1 ZINC000046056203 568787094 /nfs/dbraw/zinc/78/70/94/568787094.db2.gz KMWBTSKYEISSCW-SFHVURJKSA-N 0 0 445.541 2.926 50 0 IFAARN COc1ccc(NC(=O)CN(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001418831 568791022 /nfs/dbraw/zinc/79/10/22/568791022.db2.gz HRUMDHLWSAURPY-UHFFFAOYSA-N 0 0 430.468 2.502 50 0 IFAARN Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cs2)no1 ZINC000016661502 568791593 /nfs/dbraw/zinc/79/15/93/568791593.db2.gz JPFCHQXTTGDQNB-UHFFFAOYSA-N 0 0 432.527 2.808 50 0 IFAARN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)C2)cc1 ZINC000084155164 568795265 /nfs/dbraw/zinc/79/52/65/568795265.db2.gz UQNFOLXNWUIOPG-OALUTQOASA-N 0 0 438.528 2.997 50 0 IFAARN CN(Cc1ccc[nH]1)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C ZINC000084311107 568796925 /nfs/dbraw/zinc/79/69/25/568796925.db2.gz SBDBTVRIWDQZDT-UHFFFAOYSA-N 0 0 443.573 2.667 50 0 IFAARN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000084392966 568797757 /nfs/dbraw/zinc/79/77/57/568797757.db2.gz WIQONHNUKBCYRP-OAHLLOKOSA-N 0 0 437.677 2.548 50 0 IFAARN CC(C)CC(=O)NCCC(=O)OCCC(C)CCOC(=O)CCNC(=O)CC(C)C ZINC000084456652 568798085 /nfs/dbraw/zinc/79/80/85/568798085.db2.gz RKQOQHBNDYXVSI-UHFFFAOYSA-N 0 0 428.570 2.594 50 0 IFAARN Nn1c(SCCn2cnc3ccccc3c2=O)nnc1-c1ccc(OC(F)F)cc1 ZINC000084587446 568798964 /nfs/dbraw/zinc/79/89/64/568798964.db2.gz YZCZAGAYPGRXJF-UHFFFAOYSA-N 0 0 430.440 2.763 50 0 IFAARN C[C@@H](CN1CCCC1=O)NC(=O)c1cccn1-c1cccc(I)c1 ZINC000084638260 568799444 /nfs/dbraw/zinc/79/94/44/568799444.db2.gz DROJLLLTFAGXDD-ZDUSSCGKSA-N 0 0 437.281 2.823 50 0 IFAARN CC1(C)Cc2cccc(OCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c2O1 ZINC000084673817 568799673 /nfs/dbraw/zinc/79/96/73/568799673.db2.gz RKAJALZNJYAVGV-IEZWGBDMSA-N 0 0 433.574 2.621 50 0 IFAARN CCS(=O)(=O)N1CCC(NC(=O)CSc2ccc(Br)cc2C)CC1 ZINC000025952784 568800033 /nfs/dbraw/zinc/80/00/33/568800033.db2.gz PJRUEQZUZLMKGG-UHFFFAOYSA-N 0 0 435.409 2.780 50 0 IFAARN CC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1noc(-c2cccc(Br)c2)n1 ZINC000084734878 568800484 /nfs/dbraw/zinc/80/04/84/568800484.db2.gz NSNPMGRPIOILCV-FZMZJTMJSA-N 0 0 442.335 2.891 50 0 IFAARN CCCCN(C)c1ccc(NC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)cc1 ZINC000084744355 568800812 /nfs/dbraw/zinc/80/08/12/568800812.db2.gz JMVFRROKFQHLAU-UHFFFAOYSA-N 0 0 448.518 2.797 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3cccc(C(=O)OC)c3)n2)cc1 ZINC000084746646 568800887 /nfs/dbraw/zinc/80/08/87/568800887.db2.gz CSHLDAXYDQYSKG-UHFFFAOYSA-N 0 0 437.456 2.722 50 0 IFAARN CCCc1ccc([C@@H](C)N(CC(N)=O)CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 ZINC000084758991 568801160 /nfs/dbraw/zinc/80/11/60/568801160.db2.gz JKBGAEPSDGGEKZ-OAHLLOKOSA-N 0 0 449.548 2.669 50 0 IFAARN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000015677806 568805022 /nfs/dbraw/zinc/80/50/22/568805022.db2.gz XQVVGBPCEVHFCF-GOSISDBHSA-N 0 0 449.548 2.934 50 0 IFAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)c3ccc(F)cc3)C2)cc1 ZINC000015677803 568805027 /nfs/dbraw/zinc/80/50/27/568805027.db2.gz DJYFEJUZOPAPBE-SFHVURJKSA-N 0 0 449.548 2.934 50 0 IFAARN O=C(NCc1ccccc1Br)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000015677832 568805048 /nfs/dbraw/zinc/80/50/48/568805048.db2.gz UEKJUQZIVQEPQD-MRXNPFEDSA-N 0 0 444.395 2.508 50 0 IFAARN CCc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000015680153 568805807 /nfs/dbraw/zinc/80/58/07/568805807.db2.gz GRKSZUDWUOWJBZ-HSZRJFAPSA-N 0 0 449.617 2.845 50 0 IFAARN O=C(COc1ccc(Br)cc1F)N1CCN(c2cc(Cl)ncn2)CC1 ZINC000078879542 568811574 /nfs/dbraw/zinc/81/15/74/568811574.db2.gz LBZVCJVOVHIBPH-UHFFFAOYSA-N 0 0 429.677 2.759 50 0 IFAARN C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N1CCc2ccccc2C1 ZINC000015726823 568812458 /nfs/dbraw/zinc/81/24/58/568812458.db2.gz HFAULTVPCLRJNG-AWEZNQCLSA-N 0 0 430.551 2.726 50 0 IFAARN COc1ccc(CCn2c(-c3ccccc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000001444033 568812875 /nfs/dbraw/zinc/81/28/75/568812875.db2.gz FDSWPOIKTIGTOE-UHFFFAOYSA-N 0 0 429.480 2.605 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1OC ZINC000015730651 568814105 /nfs/dbraw/zinc/81/41/05/568814105.db2.gz LPCDHBCNSUSYHS-CYBMUJFWSA-N 0 0 436.555 2.905 50 0 IFAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCCN3CCc4ccccc4C3)ccc2S1 ZINC000015730956 568814325 /nfs/dbraw/zinc/81/43/25/568814325.db2.gz FCEHDWLLBKAIHF-OAHLLOKOSA-N 0 0 431.583 2.846 50 0 IFAARN CCCCc1nn2c(nc(COC(=O)c3cc(OC)c(OC)c(OC)c3)cc2=O)s1 ZINC000015734091 568815683 /nfs/dbraw/zinc/81/56/83/568815683.db2.gz QKDUAGVJLWKJGA-UHFFFAOYSA-N 0 0 433.486 2.876 50 0 IFAARN C=C1C(NCC(=O)NCc2ccc(OC)cc2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000015735703 568816890 /nfs/dbraw/zinc/81/68/90/568816890.db2.gz JXTVAHFGXYOVNV-UHFFFAOYSA-N 0 0 427.526 2.637 50 0 IFAARN C[C@H]1CN(C(=O)c2ccc3c(c2)OCCO3)[C@@H](C)CN1C(=O)c1ccc2c(c1)OCCO2 ZINC000001459091 568819400 /nfs/dbraw/zinc/81/94/00/568819400.db2.gz ZMXWDHVUZDHASS-HOTGVXAUSA-N 0 0 438.480 2.604 50 0 IFAARN O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000015766747 568821584 /nfs/dbraw/zinc/82/15/84/568821584.db2.gz CXHOCXNRQRIFRK-UHFFFAOYSA-N 0 0 430.574 2.539 50 0 IFAARN O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccc(-c2ccno2)cc1 ZINC000015768002 568821975 /nfs/dbraw/zinc/82/19/75/568821975.db2.gz JVEXPEITXZTPEN-UHFFFAOYSA-N 0 0 449.492 2.928 50 0 IFAARN O=C(CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O)NCc1ccc(F)cc1 ZINC000015770617 568822360 /nfs/dbraw/zinc/82/23/60/568822360.db2.gz WIEVNURXGJWZJL-UHFFFAOYSA-N 0 0 425.913 2.548 50 0 IFAARN O=C(Nc1cccc(Cl)c1)N1CCC(N2CCN(Cc3ccccn3)C(=O)C2=O)CC1 ZINC000015774598 568823258 /nfs/dbraw/zinc/82/32/58/568823258.db2.gz MJRYOQZPPQNQRF-UHFFFAOYSA-N 0 0 441.919 2.602 50 0 IFAARN CCOCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(Cl)ccc2C)n(C)c1=O ZINC000006089654 568823316 /nfs/dbraw/zinc/82/33/16/568823316.db2.gz KJCHFQOTHGBLAW-CYBMUJFWSA-N 0 0 431.924 2.683 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NC1CCCCCCC1 ZINC000015775506 568823438 /nfs/dbraw/zinc/82/34/38/568823438.db2.gz JBTVAHZBQPKSNL-QFIPXVFZSA-N 0 0 447.601 2.978 50 0 IFAARN CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000001480286 568824358 /nfs/dbraw/zinc/82/43/58/568824358.db2.gz MIBPKHXZZADDNP-MRXNPFEDSA-N 0 0 447.513 2.912 50 0 IFAARN COc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000015780585 568825289 /nfs/dbraw/zinc/82/52/89/568825289.db2.gz ZHQCNFOUFDNCNS-UHFFFAOYSA-N 0 0 448.516 2.796 50 0 IFAARN Cc1onc2c1c(C)nn(CCC(=O)N1CCN(c3cc(Cl)ccc3C)CC1)c2=O ZINC000085602494 568827223 /nfs/dbraw/zinc/82/72/23/568827223.db2.gz GGPDDIYBQKPXJQ-UHFFFAOYSA-N 0 0 429.908 2.702 50 0 IFAARN COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(ccn3C)c2)C1 ZINC000015784417 568827431 /nfs/dbraw/zinc/82/74/31/568827431.db2.gz ODRPDVTYEXPLHC-LJQANCHMSA-N 0 0 441.553 2.904 50 0 IFAARN Cc1onc2c1c(C)nn(CCCC(=O)N1CCN(c3cccc(Cl)c3)CC1)c2=O ZINC000085613721 568828039 /nfs/dbraw/zinc/82/80/39/568828039.db2.gz DGLIJVBHPWVHAO-UHFFFAOYSA-N 0 0 429.908 2.784 50 0 IFAARN O=C(Cn1cc(I)cn1)NCCCn1ncc2c1cccc2Cl ZINC000223438890 568828259 /nfs/dbraw/zinc/82/82/59/568828259.db2.gz ACVDFBIWJVWLOB-UHFFFAOYSA-N 0 0 443.676 2.697 50 0 IFAARN Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000013583101 568828303 /nfs/dbraw/zinc/82/83/03/568828303.db2.gz VSOHOXJZLLSELR-UHFFFAOYSA-N 0 0 427.570 2.738 50 0 IFAARN Cc1ccc(CNC(=O)CCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000085644858 568829631 /nfs/dbraw/zinc/82/96/31/568829631.db2.gz RIJBLCCUUGGAKV-UHFFFAOYSA-N 0 0 441.557 2.621 50 0 IFAARN Cc1ccccc1NC(=O)CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000085644890 568829699 /nfs/dbraw/zinc/82/96/99/568829699.db2.gz AHUKHVPEWXPMFB-UHFFFAOYSA-N 0 0 427.530 2.943 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)N(C)Cc1ccccc1 ZINC000085648473 568830552 /nfs/dbraw/zinc/83/05/52/568830552.db2.gz ZRWZXTCWGJLBOQ-UHFFFAOYSA-N 0 0 443.573 2.901 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)NCc1ccccc1 ZINC000085648469 568830627 /nfs/dbraw/zinc/83/06/27/568830627.db2.gz JWEGFSUGZGEPFA-UHFFFAOYSA-N 0 0 429.546 2.558 50 0 IFAARN O=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccccc1F ZINC000085651901 568831644 /nfs/dbraw/zinc/83/16/44/568831644.db2.gz YFTIQZKZVMVAMB-UHFFFAOYSA-N 0 0 435.502 2.625 50 0 IFAARN Cc1ccc(NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3sc2=O)nc1 ZINC000085653485 568832232 /nfs/dbraw/zinc/83/22/32/568832232.db2.gz RNISRLUSQASFLK-UHFFFAOYSA-N 0 0 446.554 2.580 50 0 IFAARN COc1ccc(CC(=O)N2CCN(c3ccc(=O)n(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000085654660 568833563 /nfs/dbraw/zinc/83/35/63/568833563.db2.gz ALRPPWRMDYAHOR-UHFFFAOYSA-N 0 0 438.915 2.786 50 0 IFAARN CCC(=O)c1ccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020419254 568837042 /nfs/dbraw/zinc/83/70/42/568837042.db2.gz YJLKRMZRFBULRE-HXUWFJFHSA-N 0 0 426.513 2.566 50 0 IFAARN COc1ccc(CN2CCN(Cc3cnc(N4CCCC4)s3)C[C@H]2CCO)c(F)c1 ZINC000104524884 568837496 /nfs/dbraw/zinc/83/74/96/568837496.db2.gz RIKMDOISFCLXKS-GOSISDBHSA-N 0 0 434.581 2.960 50 0 IFAARN Cc1ccc(CNc2nn3c(nc(C)c(CCC(=O)Nc4cc(C)ccn4)c3=O)[nH]2)cc1 ZINC000101835005 568838994 /nfs/dbraw/zinc/83/89/94/568838994.db2.gz IETAUSGUJQNADU-UHFFFAOYSA-N 0 0 431.500 2.921 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(Cl)c1C)OCC(=O)N2 ZINC000015822284 568840042 /nfs/dbraw/zinc/84/00/42/568840042.db2.gz FIGVTABJIFRRRP-UHFFFAOYSA-N 0 0 437.905 2.547 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)ccc21 ZINC000015823372 568840148 /nfs/dbraw/zinc/84/01/48/568840148.db2.gz RCQLPGNGEPRGER-LJQANCHMSA-N 0 0 447.601 2.835 50 0 IFAARN O=C(c1ccc(Cl)cc1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000015824923 568840538 /nfs/dbraw/zinc/84/05/38/568840538.db2.gz ALFGGAFGOZEVAB-UHFFFAOYSA-N 0 0 437.866 2.965 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)OC ZINC000025691966 568842574 /nfs/dbraw/zinc/84/25/74/568842574.db2.gz YAMQCWSSFXUFGP-CZAAIQMYSA-N 0 0 442.512 2.934 50 0 IFAARN Cc1nc2ccccn2c(=O)c1Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1C ZINC000015859281 568846919 /nfs/dbraw/zinc/84/69/19/568846919.db2.gz CVRKDLWNFPTGRR-HNNXBMFYSA-N 0 0 434.525 2.842 50 0 IFAARN CCn1c(CCC(=O)Nc2nc3ccccc3[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000006153600 568847811 /nfs/dbraw/zinc/84/78/11/568847811.db2.gz RXDNAGRCMPLCBI-UHFFFAOYSA-N 0 0 440.529 2.754 50 0 IFAARN C[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000015863953 568849525 /nfs/dbraw/zinc/84/95/25/568849525.db2.gz SPBWSFLISVLKJO-CQSZACIVSA-N 0 0 430.486 2.995 50 0 IFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(C)cc1C ZINC000015866062 568850648 /nfs/dbraw/zinc/85/06/48/568850648.db2.gz JOFCFZDFMRZKDH-UHFFFAOYSA-N 0 0 435.546 2.835 50 0 IFAARN O=C(NCc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000015866117 568850691 /nfs/dbraw/zinc/85/06/91/568850691.db2.gz GYXFNFVQQKJSNT-UHFFFAOYSA-N 0 0 438.347 2.561 50 0 IFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)Nc1cc(C)ccc1C ZINC000015866061 568850739 /nfs/dbraw/zinc/85/07/39/568850739.db2.gz IBQOIUXZQYYPGK-UHFFFAOYSA-N 0 0 435.546 2.835 50 0 IFAARN O=C(CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n21)Nc1ccc2c(c1)OCCO2 ZINC000015881771 568856134 /nfs/dbraw/zinc/85/61/34/568856134.db2.gz HNODJGVDOXQPAV-UHFFFAOYSA-N 0 0 435.465 2.999 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1F ZINC000015882167 568856695 /nfs/dbraw/zinc/85/66/95/568856695.db2.gz JTEQPDPZCNMXLY-UHFFFAOYSA-N 0 0 444.488 2.929 50 0 IFAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1ccc(Br)cc1 ZINC000015883824 568857726 /nfs/dbraw/zinc/85/77/26/568857726.db2.gz ZSCZXKGYTCZRTM-UHFFFAOYSA-N 0 0 436.331 2.833 50 0 IFAARN Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc4c(c3)OCCO4)nn2)cc1 ZINC000015884233 568858124 /nfs/dbraw/zinc/85/81/24/568858124.db2.gz VADHPYKQHYYDMO-UHFFFAOYSA-N 0 0 427.482 2.581 50 0 IFAARN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015957617 568860118 /nfs/dbraw/zinc/86/01/18/568860118.db2.gz YEKCMHBJLZXNNH-IMIIHFCZSA-N 0 0 443.503 2.883 50 0 IFAARN CN1c2ccccc2N(C2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)S1(=O)=O ZINC000575414122 568860831 /nfs/dbraw/zinc/86/08/31/568860831.db2.gz LJFNDFXBHCTGLF-UHFFFAOYSA-N 0 0 437.525 2.883 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000575414931 568862447 /nfs/dbraw/zinc/86/24/47/568862447.db2.gz RFIVEQUNGZJGKT-QZTJIDSGSA-N 0 0 440.537 2.913 50 0 IFAARN C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)CC(=O)Nc1ccccc1Cl ZINC000012937176 568866031 /nfs/dbraw/zinc/86/60/31/568866031.db2.gz GWMPSFYAVDPKRB-SFHVURJKSA-N 0 0 428.964 2.943 50 0 IFAARN COc1ccc(C(=O)Oc2coc(CSc3nnc(NC(C)=O)s3)cc2=O)cc1 ZINC000016047721 568869137 /nfs/dbraw/zinc/86/91/37/568869137.db2.gz XRRCYGVRAZAIHP-UHFFFAOYSA-N 0 0 433.467 2.970 50 0 IFAARN O=CN(CCc1c[nH]c2ccccc12)C1(C(=O)NCCCn2ccnc2)CCSCC1 ZINC000575443862 568869480 /nfs/dbraw/zinc/86/94/80/568869480.db2.gz ODFPXSDBIFIHBF-UHFFFAOYSA-N 0 0 439.585 2.838 50 0 IFAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000016084425 568869887 /nfs/dbraw/zinc/86/98/87/568869887.db2.gz VMHJLVLVJCWRDE-SFHVURJKSA-N 0 0 435.498 2.564 50 0 IFAARN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1cnc2n(c1=O)CCS2 ZINC000016111743 568870794 /nfs/dbraw/zinc/87/07/94/568870794.db2.gz LBZRIMANLXUXNM-UHFFFAOYSA-N 0 0 436.868 2.938 50 0 IFAARN COc1cc(OC)c(N2C[C@H](C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2=O)cc1Cl ZINC000012947360 568871470 /nfs/dbraw/zinc/87/14/70/568871470.db2.gz VJVNPXBLBSXRGV-SNVBAGLBSA-N 0 0 430.848 2.518 50 0 IFAARN CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(OC)cc1 ZINC000012948742 568871637 /nfs/dbraw/zinc/87/16/37/568871637.db2.gz ZLLHVPKENDLIIQ-INIZCTEOSA-N 0 0 427.320 2.986 50 0 IFAARN Cc1cccc(N2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccccc3F)C(C)C)CC2)c1 ZINC000016280328 568875461 /nfs/dbraw/zinc/87/54/61/568875461.db2.gz MGHFGSARSNGSBM-NRFANRHFSA-N 0 0 433.549 2.786 50 0 IFAARN Cn1cc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000026263805 568875916 /nfs/dbraw/zinc/87/59/16/568875916.db2.gz ODBPDVZHCMCABV-UHFFFAOYSA-N 0 0 445.522 2.619 50 0 IFAARN CCOCCCn1c(C)cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C ZINC000006195378 568876868 /nfs/dbraw/zinc/87/68/68/568876868.db2.gz NMUYHSIYILVKLA-UHFFFAOYSA-N 0 0 447.898 2.725 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3cc(C)nc(C)n3)C2)c(C)c1 ZINC000575610270 568878986 /nfs/dbraw/zinc/87/89/86/568878986.db2.gz VCCZJUOUKYSDIU-GOSISDBHSA-N 0 0 432.546 2.982 50 0 IFAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccsc3)o2)c1 ZINC000575611848 568879171 /nfs/dbraw/zinc/87/91/71/568879171.db2.gz YJDQJNQZNMXMCS-CQSZACIVSA-N 0 0 437.495 2.815 50 0 IFAARN CN1c2ccc(F)cc2N(CCNC(=O)c2cccc(OC(F)(F)F)c2)S1(=O)=O ZINC000575611980 568879457 /nfs/dbraw/zinc/87/94/57/568879457.db2.gz JMZKRZYJXKLDTO-UHFFFAOYSA-N 0 0 433.383 2.655 50 0 IFAARN Cc1nc(N2CCC(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)n1 ZINC000575614552 568879960 /nfs/dbraw/zinc/87/99/60/568879960.db2.gz WKTYKSVIEBNODU-LLVKDONJSA-N 0 0 431.459 2.802 50 0 IFAARN C[C@@H]1CN(c2ccc(C(=O)N3CSC[C@H]3C(=O)NCc3ccccc3)cn2)C[C@H](C)O1 ZINC000024670470 568880293 /nfs/dbraw/zinc/88/02/93/568880293.db2.gz JSNMWVGMJWYROF-QKLQHJQFSA-N 0 0 440.569 2.527 50 0 IFAARN CN(C)S(=O)(=O)N1CCC(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000575615088 568881040 /nfs/dbraw/zinc/88/10/40/568881040.db2.gz FKBCAKFDSSZBAI-UHFFFAOYSA-N 0 0 427.998 2.786 50 0 IFAARN Cn1c(=O)n(C2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)nc1C(F)(F)F ZINC000575615015 568881166 /nfs/dbraw/zinc/88/11/66/568881166.db2.gz LWKAPYPNUPGVSQ-UHFFFAOYSA-N 0 0 426.424 2.530 50 0 IFAARN O=c1c2ccccc2ncn1[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000575617683 568881880 /nfs/dbraw/zinc/88/18/80/568881880.db2.gz QIHNVRNLAFCTBW-SFHVURJKSA-N 0 0 435.509 2.608 50 0 IFAARN O=C(NCc1nccnc1-c1ccsc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000575618250 568882116 /nfs/dbraw/zinc/88/21/16/568882116.db2.gz FZQVIAPVFNBNJK-UHFFFAOYSA-N 0 0 428.539 2.920 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 ZINC000575618421 568882124 /nfs/dbraw/zinc/88/21/24/568882124.db2.gz VNKBIKLTTAYCJO-RDTXWAMCSA-N 0 0 436.530 2.629 50 0 IFAARN O=c1c2cccnc2ncn1C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000575618220 568882163 /nfs/dbraw/zinc/88/21/63/568882163.db2.gz UGSSZOZUOBGYGI-UHFFFAOYSA-N 0 0 438.431 2.836 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575618835 568882282 /nfs/dbraw/zinc/88/22/82/568882282.db2.gz WNUXRWZXXFKGNG-QGZVFWFLSA-N 0 0 429.546 2.817 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCc3ccc(C)cc3)c(O)c2c1 ZINC000006296566 568882380 /nfs/dbraw/zinc/88/23/80/568882380.db2.gz OREHXLLVYSQDJL-UHFFFAOYSA-N 0 0 427.526 2.797 50 0 IFAARN COc1ccc(-c2nc(CCNC(=O)Cn3nc(C4CC4)ccc3=O)cs2)cc1OC ZINC000575620356 568883029 /nfs/dbraw/zinc/88/30/29/568883029.db2.gz QAHVWJCPFNHAIJ-UHFFFAOYSA-N 0 0 440.525 2.620 50 0 IFAARN CCOc1ccc(-c2nc(SCc3cccnc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000009517538 568883550 /nfs/dbraw/zinc/88/35/50/568883550.db2.gz JNMOFUDDNXQIRR-UHFFFAOYSA-N 0 0 435.509 2.780 50 0 IFAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102440349 568885014 /nfs/dbraw/zinc/88/50/14/568885014.db2.gz UUHSOXZKAZAKHG-OKILXGFUSA-N 0 0 434.514 2.940 50 0 IFAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)[C@@H]2c2cccs2)cc1 ZINC000229659629 568886803 /nfs/dbraw/zinc/88/68/03/568886803.db2.gz FETRFZDGWQDFIA-RIFZZMRRSA-N 0 0 432.567 2.844 50 0 IFAARN COc1ccccc1S(=O)(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 ZINC000090558868 568887818 /nfs/dbraw/zinc/88/78/18/568887818.db2.gz MMNJLHPRPYNOEE-UHFFFAOYSA-N 0 0 441.513 2.529 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000090592091 568888717 /nfs/dbraw/zinc/88/87/17/568888717.db2.gz LKHOZPAWSDICBZ-MRXNPFEDSA-N 0 0 448.932 2.951 50 0 IFAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cccnc1N1CCCC1 ZINC000012972518 568889271 /nfs/dbraw/zinc/88/92/71/568889271.db2.gz KKCYNQXPPNQLLL-UHFFFAOYSA-N 0 0 430.892 2.589 50 0 IFAARN COc1ccc(CN(C)C(=O)CNS(=O)(=O)c2ccccc2Br)cc1F ZINC000012972993 568889291 /nfs/dbraw/zinc/88/92/91/568889291.db2.gz SDFWYUOWWXYKNP-UHFFFAOYSA-N 0 0 445.310 2.534 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NCc3cc(-c4ccccn4)n(C)n3)n(C)n2)c1 ZINC000090607169 568889687 /nfs/dbraw/zinc/88/96/87/568889687.db2.gz CXEBLFHWXWONPO-UHFFFAOYSA-N 0 0 432.484 2.830 50 0 IFAARN COc1ccc(CCNC(=O)[C@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)cc1OC ZINC000090609674 568891616 /nfs/dbraw/zinc/89/16/16/568891616.db2.gz ICEINTNQLSHHQR-OAHLLOKOSA-N 0 0 431.558 2.639 50 0 IFAARN Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCN(c3ccc(Cl)c(Cl)c3)CC1)CS2 ZINC000090609612 568891629 /nfs/dbraw/zinc/89/16/29/568891629.db2.gz KIGKLNBDLNSMLM-CYBMUJFWSA-N 0 0 439.368 2.929 50 0 IFAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000012979991 568892045 /nfs/dbraw/zinc/89/20/45/568892045.db2.gz CGHKCJCDQHRCDL-MHECFPHRSA-N 0 0 437.496 2.532 50 0 IFAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000012979987 568892091 /nfs/dbraw/zinc/89/20/91/568892091.db2.gz CGHKCJCDQHRCDL-UUOWRZLLSA-N 0 0 437.496 2.532 50 0 IFAARN O=C(OCN1C(=O)c2ccccc2C1=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000016043839 568894312 /nfs/dbraw/zinc/89/43/12/568894312.db2.gz ZYDNIRDVDUHLGL-UYRXBGFRSA-N 0 0 441.403 2.728 50 0 IFAARN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3C)cc2)C1 ZINC000012982536 568894913 /nfs/dbraw/zinc/89/49/13/568894913.db2.gz IUMINFAGMIIDSV-GOSISDBHSA-N 0 0 430.526 2.750 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000013001692 568898091 /nfs/dbraw/zinc/89/80/91/568898091.db2.gz FAGRAIPOSPDGCZ-UHFFFAOYSA-N 0 0 434.461 2.707 50 0 IFAARN O=C(c1ccc[nH]c1=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000013004604 568899004 /nfs/dbraw/zinc/89/90/04/568899004.db2.gz UINWPQKVGVIKSP-UHFFFAOYSA-N 0 0 429.542 2.569 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl ZINC000013007828 568899481 /nfs/dbraw/zinc/89/94/81/568899481.db2.gz YWLZWGBINRWHEH-KRWDZBQOSA-N 0 0 434.945 2.996 50 0 IFAARN O=C(COC(=O)c1ccc(OC(F)F)cc1)NCC1(N2CCOCC2)CCCCC1 ZINC000013010906 568900119 /nfs/dbraw/zinc/90/01/19/568900119.db2.gz GEWJJBLAPVUASR-UHFFFAOYSA-N 0 0 426.460 2.596 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 ZINC000013010677 568900164 /nfs/dbraw/zinc/90/01/64/568900164.db2.gz BWRDEPHLCNANPS-GOSISDBHSA-N 0 0 443.569 2.793 50 0 IFAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCCCCCC(C)C)cc2)CC1 ZINC000013012249 568901051 /nfs/dbraw/zinc/90/10/51/568901051.db2.gz XUDLUCWJQSHTPT-UHFFFAOYSA-N 0 0 437.606 2.876 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cccc(Br)c1 ZINC000013021934 568902214 /nfs/dbraw/zinc/90/22/14/568902214.db2.gz UKSUUIRIAMZITE-INIZCTEOSA-N 0 0 440.363 2.894 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cccc(Br)c1 ZINC000013021932 568902324 /nfs/dbraw/zinc/90/23/24/568902324.db2.gz UKSUUIRIAMZITE-MRXNPFEDSA-N 0 0 440.363 2.894 50 0 IFAARN O=c1cc(CN2CCc3ccccc3C2)oc(CN2CCN(CC(F)(F)F)CC2)c1O ZINC000253407117 568903096 /nfs/dbraw/zinc/90/30/96/568903096.db2.gz JOAWUWCCNKIKNX-UHFFFAOYSA-N 0 0 437.462 2.584 50 0 IFAARN O=C(C[C@H](c1coc2ccccc2c1=O)c1cc2c(cc1O)OCO2)NCCn1cccn1 ZINC000524729618 568903844 /nfs/dbraw/zinc/90/38/44/568903844.db2.gz AMGUTQLTSQFDOZ-INIZCTEOSA-N 0 0 447.447 2.762 50 0 IFAARN COCCOC(=O)c1sc2ncn([C@@H](C)C(=O)OCc3ccccc3)c(=O)c2c1C ZINC000001784807 568907506 /nfs/dbraw/zinc/90/75/06/568907506.db2.gz BYBCWANZWSMDIJ-AWEZNQCLSA-N 0 0 430.482 2.874 50 0 IFAARN CCOc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2S(C)(=O)=O)c1 ZINC000089269931 568909965 /nfs/dbraw/zinc/90/99/65/568909965.db2.gz OXKXYFRLOJPYHM-IBGZPJMESA-N 0 0 437.543 2.568 50 0 IFAARN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)NC(=O)NCc2ccco2)[C@H]2CCCC[C@@H]12 ZINC000241587903 568912374 /nfs/dbraw/zinc/91/23/74/568912374.db2.gz OYBLANNHSRRSGN-HNULKUCHSA-N 0 0 432.565 2.789 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]2c2cccs2)C1=O ZINC000242302349 568912726 /nfs/dbraw/zinc/91/27/26/568912726.db2.gz YRQLMNONXCGWBO-HTAPYJJXSA-N 0 0 426.542 2.860 50 0 IFAARN CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@H](C(=O)Oc3ccc(Br)cc3)[C@@H]2O1 ZINC000245225875 568912936 /nfs/dbraw/zinc/91/29/36/568912936.db2.gz WLZITUKKHHQEKY-SSZWKKLZSA-N 0 0 429.263 2.751 50 0 IFAARN COc1ccc(OC[C@@H](O)CN(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245229481 568913044 /nfs/dbraw/zinc/91/30/44/568913044.db2.gz YWOCTZSRUMJIJE-ROUUACIJSA-N 0 0 439.961 2.778 50 0 IFAARN COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000245242142 568913183 /nfs/dbraw/zinc/91/31/83/568913183.db2.gz CKQHOCFSFLTMIJ-RTXPOLOASA-N 0 0 437.883 2.780 50 0 IFAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)N3CCCCCC3)CC2)cc1 ZINC000245257001 568914209 /nfs/dbraw/zinc/91/42/09/568914209.db2.gz VNLLBJQDKFFWIE-MXVIHJGJSA-N 0 0 449.617 2.599 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(-c4cccs4)[nH]c3=S)CC2)cc1 ZINC000013074312 568916382 /nfs/dbraw/zinc/91/63/82/568916382.db2.gz IEXUIBWIPMJLAX-UHFFFAOYSA-N 0 0 435.600 2.942 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)cc1S(N)(=O)=O ZINC000026902497 568924252 /nfs/dbraw/zinc/92/42/52/568924252.db2.gz BPTITJJUUFRCOT-QGZVFWFLSA-N 0 0 443.550 2.684 50 0 IFAARN COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000089466028 568925920 /nfs/dbraw/zinc/92/59/20/568925920.db2.gz ASPFJHDSWURXHV-UHFFFAOYSA-N 0 0 444.431 2.987 50 0 IFAARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3cccc(O)c3)nc(N3CCOCC3)n2)cc1 ZINC000252641544 568926526 /nfs/dbraw/zinc/92/65/26/568926526.db2.gz ZEPNMIIXKXLDSN-UHFFFAOYSA-N 0 0 436.432 2.512 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CC(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000089512654 568927996 /nfs/dbraw/zinc/92/79/96/568927996.db2.gz QHTUVFSNBIRVTQ-UHFFFAOYSA-N 0 0 437.562 2.571 50 0 IFAARN CCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000006512699 568928359 /nfs/dbraw/zinc/92/83/59/568928359.db2.gz GURWHCYGHHMDPS-UHFFFAOYSA-N 0 0 442.921 2.697 50 0 IFAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc32)no1 ZINC000064450586 568928639 /nfs/dbraw/zinc/92/86/39/568928639.db2.gz JCUSSLCRVIDUID-UHFFFAOYSA-N 0 0 428.470 2.721 50 0 IFAARN CCc1ccc(-c2nc3sc(N4CCN(CC(N)=O)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064451978 568929294 /nfs/dbraw/zinc/92/92/94/568929294.db2.gz QATPDYARGJZMNW-UHFFFAOYSA-N 0 0 441.605 2.838 50 0 IFAARN CSc1nc(C)c(CCC(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c(C)n1 ZINC000089525988 568930750 /nfs/dbraw/zinc/93/07/50/568930750.db2.gz YOMRZMWGNOQBNZ-AWEZNQCLSA-N 0 0 430.538 2.820 50 0 IFAARN CSc1nc(C)c(CCC(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c(C)n1 ZINC000089525994 568930764 /nfs/dbraw/zinc/93/07/64/568930764.db2.gz YOMRZMWGNOQBNZ-CQSZACIVSA-N 0 0 430.538 2.820 50 0 IFAARN Cn1nc(C(=O)N2CCCCC2)c2c1CCN(C(=O)CCC(=O)NC1CCCCCC1)C2 ZINC000064565491 568932499 /nfs/dbraw/zinc/93/24/99/568932499.db2.gz XSRYYRDLOQSWLI-UHFFFAOYSA-N 0 0 443.592 2.550 50 0 IFAARN CCCNC(=O)NC1CCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)CC1 ZINC000064579278 568934230 /nfs/dbraw/zinc/93/42/30/568934230.db2.gz VHAUWRDRYWOPLU-UHFFFAOYSA-N 0 0 434.544 2.826 50 0 IFAARN CCOc1ccccc1NC(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C ZINC000064590925 568935492 /nfs/dbraw/zinc/93/54/92/568935492.db2.gz WPRJEFXWCSAULI-UHFFFAOYSA-N 0 0 425.489 2.756 50 0 IFAARN COc1ccccc1-n1ccn2c(SCC(=O)NCc3ccc(C)cc3)nnc2c1=O ZINC000064593067 568935793 /nfs/dbraw/zinc/93/57/93/568935793.db2.gz PTBSYLGEBVXMFQ-UHFFFAOYSA-N 0 0 435.509 2.606 50 0 IFAARN COc1ccc(CNC(=O)CSc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1 ZINC000064593601 568936019 /nfs/dbraw/zinc/93/60/19/568936019.db2.gz XWPRVINFRPPYBA-UHFFFAOYSA-N 0 0 449.536 2.914 50 0 IFAARN COc1cccc(-n2ccn3c(SCC(=O)Nc4ccccc4OC)nnc3c2=O)c1 ZINC000064593666 568936119 /nfs/dbraw/zinc/93/61/19/568936119.db2.gz LBZYJCIJYWLGJQ-UHFFFAOYSA-N 0 0 437.481 2.628 50 0 IFAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000089544377 568936938 /nfs/dbraw/zinc/93/69/38/568936938.db2.gz AHLNKDMDVAYJLB-DEOSSOPVSA-N 0 0 431.496 2.598 50 0 IFAARN COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000089568858 568937846 /nfs/dbraw/zinc/93/78/46/568937846.db2.gz OGVSKBKOFHZSKT-UHFFFAOYSA-N 0 0 431.558 2.565 50 0 IFAARN COc1ccccc1Nc1ncccc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 ZINC000016695828 568938931 /nfs/dbraw/zinc/93/89/31/568938931.db2.gz XQKJVNSSOXZKCL-UHFFFAOYSA-N 0 0 443.481 2.717 50 0 IFAARN CCOC(=O)CNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000064611652 568941627 /nfs/dbraw/zinc/94/16/27/568941627.db2.gz OENVCMHLLTUPSF-HNNXBMFYSA-N 0 0 440.525 2.547 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035991665 568941780 /nfs/dbraw/zinc/94/17/80/568941780.db2.gz PAPJJDQASXCGHV-JXFKEZNVSA-N 0 0 447.507 2.614 50 0 IFAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1)C(=O)CC ZINC000036016513 568941986 /nfs/dbraw/zinc/94/19/86/568941986.db2.gz SFIUCRMZWMESQZ-UHFFFAOYSA-N 0 0 431.581 2.904 50 0 IFAARN CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)NC(C)C ZINC000036083326 568947067 /nfs/dbraw/zinc/94/70/67/568947067.db2.gz WDBREXXBPJEVIW-UHFFFAOYSA-N 0 0 442.539 2.761 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036085599 568947623 /nfs/dbraw/zinc/94/76/23/568947623.db2.gz FDEQHXUKLNFRMA-CYBMUJFWSA-N 0 0 430.867 2.763 50 0 IFAARN C[C@@H](c1ccccc1)n1c(=O)c(C(=O)NCc2ccco2)nn(-c2ccccc2F)c1=O ZINC000036085369 568947948 /nfs/dbraw/zinc/94/79/48/568947948.db2.gz ZNXAKJCFHBDTMS-HNNXBMFYSA-N 0 0 434.427 2.666 50 0 IFAARN O=C(NC1CC1)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036085748 568948098 /nfs/dbraw/zinc/94/80/98/568948098.db2.gz CPHOFALKJQSCQL-UHFFFAOYSA-N 0 0 431.279 2.642 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036085770 568948246 /nfs/dbraw/zinc/94/82/46/568948246.db2.gz YYNJZUOVIZUPAS-CYBMUJFWSA-N 0 0 430.867 2.763 50 0 IFAARN C[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O)c1ccccc1 ZINC000036085891 568948304 /nfs/dbraw/zinc/94/83/04/568948304.db2.gz LXPOBAMXGAJEMO-GOSISDBHSA-N 0 0 426.476 2.934 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036085788 568948320 /nfs/dbraw/zinc/94/83/20/568948320.db2.gz MNWYVLXRSPGXOF-CQSZACIVSA-N 0 0 442.903 2.633 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCC(C)C)c(=O)n(Cc3ccccc3Cl)c2=O)cc1 ZINC000036086766 568949145 /nfs/dbraw/zinc/94/91/45/568949145.db2.gz AHHNZPNGGBPOLY-UHFFFAOYSA-N 0 0 426.904 2.790 50 0 IFAARN CCN(CC)C(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086782 568949235 /nfs/dbraw/zinc/94/92/35/568949235.db2.gz YJTCDFLZXXOIAF-UHFFFAOYSA-N 0 0 426.904 2.886 50 0 IFAARN O=C1CN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]2c3ccccc3CCN12 ZINC000036108757 568953736 /nfs/dbraw/zinc/95/37/36/568953736.db2.gz DMUNHYVBFISOQX-CYBMUJFWSA-N 0 0 427.345 2.641 50 0 IFAARN O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2nccnc21)Nc1cccc2ccccc21 ZINC000064775342 568954527 /nfs/dbraw/zinc/95/45/27/568954527.db2.gz JLJZCMMGYQUMSL-UHFFFAOYSA-N 0 0 437.459 2.793 50 0 IFAARN Cn1ncc2c3ccccc3n(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2c1=O ZINC000064775805 568954944 /nfs/dbraw/zinc/95/49/44/568954944.db2.gz JUTHUBLJIJBZEP-UHFFFAOYSA-N 0 0 435.915 2.890 50 0 IFAARN COc1ccc(CCNC(=O)[C@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)c(OC)c1 ZINC000064776068 568955118 /nfs/dbraw/zinc/95/51/18/568955118.db2.gz VOLJSXYWSJPCFF-HNNXBMFYSA-N 0 0 434.496 2.825 50 0 IFAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C1CC1 ZINC000036117361 568955783 /nfs/dbraw/zinc/95/57/83/568955783.db2.gz ZYRBYJOKIBBELM-FQEVSTJZSA-N 0 0 444.553 2.899 50 0 IFAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccc(Cl)cc1)N1CCOCC1 ZINC000064792871 568959444 /nfs/dbraw/zinc/95/94/44/568959444.db2.gz UZBMVMGZNFYXNF-HXUWFJFHSA-N 0 0 436.903 2.636 50 0 IFAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)NC[C@@H]2CCCO2)n1C1CC1 ZINC000064794078 568959895 /nfs/dbraw/zinc/95/98/95/568959895.db2.gz VRSGAPGLFZIXLG-LBPRGKRZSA-N 0 0 430.559 2.859 50 0 IFAARN NC(=O)COc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064798073 568960383 /nfs/dbraw/zinc/96/03/83/568960383.db2.gz SEFLYCRMPSGOMK-INIZCTEOSA-N 0 0 442.518 2.919 50 0 IFAARN COc1ccc(NC(=O)CSc2nc3cnn(C)c3c(=O)n2Cc2ccccc2)cc1 ZINC000064817041 568964319 /nfs/dbraw/zinc/96/43/19/568964319.db2.gz CCJSUJSBPKWERC-UHFFFAOYSA-N 0 0 435.509 2.918 50 0 IFAARN O=C(Cn1nc(N2CCN(c3ccc(F)cc3)CC2)ccc1=O)Nc1ccc(F)c(F)c1 ZINC000064818161 568964642 /nfs/dbraw/zinc/96/46/42/568964642.db2.gz HDQVWEZKADUYIB-UHFFFAOYSA-N 0 0 443.429 2.626 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccccc1C ZINC000064817629 568964847 /nfs/dbraw/zinc/96/48/47/568964847.db2.gz NGOZIJGXRAGQHT-UHFFFAOYSA-N 0 0 431.496 2.683 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cc(F)ccc1C ZINC000064817644 568964896 /nfs/dbraw/zinc/96/48/96/568964896.db2.gz NBNGANHXROONCW-UHFFFAOYSA-N 0 0 449.486 2.823 50 0 IFAARN COCCNC(=O)[C@]1(C)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccc(Cl)cc1 ZINC000064816319 568965062 /nfs/dbraw/zinc/96/50/62/568965062.db2.gz MZKIJOQWYUWHBU-NRFANRHFSA-N 0 0 428.876 2.978 50 0 IFAARN O=C(NCc1ccco1)c1ccc2c(c1)nc(N1CCOCC1)n(-c1cccc(F)c1)c2=O ZINC000064819271 568966190 /nfs/dbraw/zinc/96/61/90/568966190.db2.gz HLAKZVOBRWEUEF-UHFFFAOYSA-N 0 0 448.454 2.884 50 0 IFAARN CCOc1ccc(C(=O)N2CCC(N3CCN(Cc4ccccc4)C(=O)C3=O)CC2)cc1 ZINC000064835337 568968736 /nfs/dbraw/zinc/96/87/36/568968736.db2.gz ZACCIMLBCIKTRM-UHFFFAOYSA-N 0 0 435.524 2.561 50 0 IFAARN CCOc1ccccc1CNC(=O)c1cc(=O)nc2sc(N3CCCCCC3)nn21 ZINC000064836639 568969393 /nfs/dbraw/zinc/96/93/93/568969393.db2.gz JAPLGBHOAFDUCC-UHFFFAOYSA-N 0 0 427.530 2.860 50 0 IFAARN CCOc1ccc(CNC(=O)c2cc(=O)nc3sc(N4CCC[C@H](C)C4)nn32)cc1 ZINC000064836912 568969594 /nfs/dbraw/zinc/96/95/94/568969594.db2.gz JGLHQZDVDRBQST-AWEZNQCLSA-N 0 0 427.530 2.716 50 0 IFAARN CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 ZINC000064846550 568972087 /nfs/dbraw/zinc/97/20/87/568972087.db2.gz JHMCCFWVOUQPJX-QGZVFWFLSA-N 0 0 435.590 2.835 50 0 IFAARN CNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O ZINC000064859296 568972470 /nfs/dbraw/zinc/97/24/70/568972470.db2.gz IFOQFZVPFCRSLM-OWEKAKITSA-N 0 0 437.964 2.856 50 0 in-vitro IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@H](O)COC(C)(C)C ZINC000036204958 568972944 /nfs/dbraw/zinc/97/29/44/568972944.db2.gz HEHFMHOLFIAESE-CABCVRRESA-N 0 0 437.606 2.734 50 0 IFAARN COCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036208633 568973578 /nfs/dbraw/zinc/97/35/78/568973578.db2.gz OGZPUHUINHUHLV-NRFANRHFSA-N 0 0 431.577 2.531 50 0 IFAARN COCCNC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036208634 568973580 /nfs/dbraw/zinc/97/35/80/568973580.db2.gz OGZPUHUINHUHLV-OAQYLSRUSA-N 0 0 431.577 2.531 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000036210604 568974994 /nfs/dbraw/zinc/97/49/94/568974994.db2.gz TZMZOUVUKIHWLM-QFIPXVFZSA-N 0 0 441.572 2.845 50 0 IFAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(OC)cc2OC)c2ccccc2N1 ZINC000064869182 568975607 /nfs/dbraw/zinc/97/56/07/568975607.db2.gz NORALRRTWWZHLS-UHFFFAOYSA-N 0 0 425.441 2.548 50 0 IFAARN Cc1ccc(C(=O)N[C@H](C(=O)NC2CC2)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000036213228 568976791 /nfs/dbraw/zinc/97/67/91/568976791.db2.gz DHMRSAHCEQZPQD-FQEVSTJZSA-N 0 0 425.554 2.986 50 0 IFAARN CCN(CC)C(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccco2)CC1 ZINC000036210908 568976887 /nfs/dbraw/zinc/97/68/87/568976887.db2.gz GEKKFEHXRJZYTF-OAQYLSRUSA-N 0 0 441.528 2.807 50 0 IFAARN COc1cccc(C(=O)N[C@H](C(=O)NCc2ccco2)C2CCN(C(=O)C(C)C)CC2)c1 ZINC000036211034 568976913 /nfs/dbraw/zinc/97/69/13/568976913.db2.gz BDFLFICDVALABZ-NRFANRHFSA-N 0 0 441.528 2.598 50 0 IFAARN CCN(CC)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccco2)CC1 ZINC000036210909 568976950 /nfs/dbraw/zinc/97/69/50/568976950.db2.gz GEKKFEHXRJZYTF-NRFANRHFSA-N 0 0 441.528 2.807 50 0 IFAARN CC(C)c1nnc2c(=O)n(CC(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3n21 ZINC000064871751 568977949 /nfs/dbraw/zinc/97/79/49/568977949.db2.gz SESUJNIZEDOAJH-UHFFFAOYSA-N 0 0 448.502 2.656 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)c(F)c1 ZINC000036227626 568978607 /nfs/dbraw/zinc/97/86/07/568978607.db2.gz SOSSZDQDGSAJRC-UHFFFAOYSA-N 0 0 429.876 2.563 50 0 IFAARN Cc1cc(C)cc(NC(=O)Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3nccnc32)c1 ZINC000064887568 568978950 /nfs/dbraw/zinc/97/89/50/568978950.db2.gz GYCXXPJMVBDPOU-UHFFFAOYSA-N 0 0 449.898 2.910 50 0 IFAARN CC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000064888583 568979664 /nfs/dbraw/zinc/97/96/64/568979664.db2.gz UJHSFFTVGYMXQK-HXUWFJFHSA-N 0 0 425.460 2.616 50 0 IFAARN Cc1cccc(CNC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000064888891 568979696 /nfs/dbraw/zinc/97/96/96/568979696.db2.gz LKNIUPZMLSRKGR-UHFFFAOYSA-N 0 0 426.542 2.836 50 0 IFAARN Cc1cccc(CNC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 ZINC000064889267 568979923 /nfs/dbraw/zinc/97/99/23/568979923.db2.gz QVZFZCQGENUJRY-UHFFFAOYSA-N 0 0 441.557 2.621 50 0 IFAARN Cc1nc(-c2ccc(N3CCN(C(=O)[C@@H](NC(=O)c4ccco4)C(C)C)CC3)cc2)no1 ZINC000064889439 568980073 /nfs/dbraw/zinc/98/00/73/568980073.db2.gz WICOWBZWHWUBNR-FQEVSTJZSA-N 0 0 437.500 2.741 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)NCc1ccc(OC)cc1 ZINC000064889043 568980106 /nfs/dbraw/zinc/98/01/06/568980106.db2.gz HZLKPBXDRUUVNM-UHFFFAOYSA-N 0 0 444.557 2.782 50 0 IFAARN Cc1cccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)c1C ZINC000064889161 568980247 /nfs/dbraw/zinc/98/02/47/568980247.db2.gz YSINCIZPKJYZGL-UHFFFAOYSA-N 0 0 427.530 2.861 50 0 IFAARN Cc1cc(C)cc(NC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000064889198 568980279 /nfs/dbraw/zinc/98/02/79/568980279.db2.gz OAMKNFJOWXIWAZ-UHFFFAOYSA-N 0 0 427.530 2.861 50 0 IFAARN O=C(CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccccc1Cl ZINC000064889154 568980312 /nfs/dbraw/zinc/98/03/12/568980312.db2.gz FUTCVWBKUKFYDY-UHFFFAOYSA-N 0 0 433.921 2.898 50 0 IFAARN Cc1nc2cc(-c3noc(CNS(=O)(=O)c4ccccc4)n3)ccc2n(C(C)C)c1=O ZINC000064890370 568981285 /nfs/dbraw/zinc/98/12/85/568981285.db2.gz DUKDNGOBFRPDMM-UHFFFAOYSA-N 0 0 439.497 2.814 50 0 IFAARN O=C(NC[C@@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036253822 568984522 /nfs/dbraw/zinc/98/45/22/568984522.db2.gz ZLSWCIKJHSEKMZ-GHTZIAJQSA-N 0 0 433.980 2.952 50 0 IFAARN COCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036251530 568984623 /nfs/dbraw/zinc/98/46/23/568984623.db2.gz VDKLHPXRUWNRKM-LJQANCHMSA-N 0 0 441.494 2.785 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000036255535 568985074 /nfs/dbraw/zinc/98/50/74/568985074.db2.gz XMGNEUJPHODLHT-HSZRJFAPSA-N 0 0 439.556 2.964 50 0 IFAARN COc1ccc(CCNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000036255538 568985084 /nfs/dbraw/zinc/98/50/84/568985084.db2.gz XMGNEUJPHODLHT-QHCPKHFHSA-N 0 0 439.556 2.964 50 0 IFAARN CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2)c1ccccc1 ZINC000064920775 568985419 /nfs/dbraw/zinc/98/54/19/568985419.db2.gz KEVIQKDHLAQLCC-SFHVURJKSA-N 0 0 443.525 2.532 50 0 IFAARN CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2)c1ccccc1 ZINC000064920777 568985444 /nfs/dbraw/zinc/98/54/44/568985444.db2.gz KEVIQKDHLAQLCC-GOSISDBHSA-N 0 0 443.525 2.532 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)NC1CCCCCC1)O[C@H](C)C(=O)N2 ZINC000064920960 568985648 /nfs/dbraw/zinc/98/56/48/568985648.db2.gz HHJNTSREHYADLE-QAPCUYQASA-N 0 0 449.573 2.707 50 0 IFAARN Cc1c(S(=O)(=O)N2CCCC2)cc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)n1C ZINC000064922473 568985977 /nfs/dbraw/zinc/98/59/77/568985977.db2.gz NGCUZVNQJKRLFZ-UHFFFAOYSA-N 0 0 444.601 2.697 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4cccc(F)c4)n3)C2)cc1 ZINC000064928527 568987612 /nfs/dbraw/zinc/98/76/12/568987612.db2.gz SYHJNRBQOLKEKX-GOSISDBHSA-N 0 0 436.487 2.913 50 0 IFAARN Cc1c(S(=O)(=O)N2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)cnn1C(F)F ZINC000064929188 568988019 /nfs/dbraw/zinc/98/80/19/568988019.db2.gz ZCSYBSHLXBFLDQ-UHFFFAOYSA-N 0 0 448.499 2.863 50 0 IFAARN CCOC(=O)CNC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000064930459 568988887 /nfs/dbraw/zinc/98/88/87/568988887.db2.gz AZCVZMZOBJALIS-ZDUSSCGKSA-N 0 0 437.909 2.853 50 0 IFAARN CCOCCCNC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000064930779 568989311 /nfs/dbraw/zinc/98/93/11/568989311.db2.gz VHPDIRFKMZFAHZ-AWEZNQCLSA-N 0 0 447.517 2.792 50 0 IFAARN O=S(=O)(c1ccccc1)N1CCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000019373659 568989511 /nfs/dbraw/zinc/98/95/11/568989511.db2.gz YPOOPFMMCRYDPB-NRFANRHFSA-N 0 0 426.538 2.586 50 0 IFAARN CCCn1c(=O)c2sc3ncccc3c2n(CC(=O)NCCCc2ccccc2)c1=O ZINC000064942381 568991435 /nfs/dbraw/zinc/99/14/35/568991435.db2.gz UAEWZRWMKDOFLP-UHFFFAOYSA-N 0 0 436.537 2.932 50 0 IFAARN Cc1nn(C)c(C)c1CNC(=O)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681183 568991746 /nfs/dbraw/zinc/99/17/46/568991746.db2.gz VDXDDZHLTWQQAH-UHFFFAOYSA-N 0 0 440.507 2.978 50 0 IFAARN Cc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000064943421 568992513 /nfs/dbraw/zinc/99/25/13/568992513.db2.gz HNJJUIFXSTZWOY-UHFFFAOYSA-N 0 0 425.510 2.948 50 0 IFAARN COc1ccccc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(C(C)C)cc2)ccc1=O ZINC000064943867 568993098 /nfs/dbraw/zinc/99/30/98/568993098.db2.gz DYYUMKJABPQUMJ-UHFFFAOYSA-N 0 0 441.509 2.847 50 0 IFAARN Cc1nc(Cn2c(=O)oc3cc(S(=O)(=O)Nc4ccc(F)cc4Cl)ccc32)no1 ZINC000064946865 568993922 /nfs/dbraw/zinc/99/39/22/568993922.db2.gz VMOSUAIGJSXGRV-UHFFFAOYSA-N 0 0 438.824 2.928 50 0 IFAARN CCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cn(C(C)C)cn2)CC1 ZINC000064957740 568999086 /nfs/dbraw/zinc/99/90/86/568999086.db2.gz HBQCDHQKXTWSOT-UHFFFAOYSA-N 0 0 434.562 2.580 50 0 IFAARN COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(OC)c1 ZINC000064957605 568999108 /nfs/dbraw/zinc/99/91/08/568999108.db2.gz UONPLYIFFWHUFL-UHFFFAOYSA-N 0 0 436.534 2.521 50 0 IFAARN O=C(NCCn1nnc2cc(C(=O)N3CCCCC3)ccc21)Nc1ccc2c(c1)OCO2 ZINC000064956900 568999305 /nfs/dbraw/zinc/99/93/05/568999305.db2.gz RHRGDZSJBWZYGT-UHFFFAOYSA-N 0 0 436.472 2.608 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)cc1 ZINC000064958218 568999343 /nfs/dbraw/zinc/99/93/43/568999343.db2.gz XKXWTCNJDYZZMR-QGZVFWFLSA-N 0 0 448.545 2.680 50 0 IFAARN O=C(Nc1ccc(NC(=O)[C@H]2Nc3ccc(Cl)cc3S(=O)(=O)N2)cc1)c1ccco1 ZINC000064960099 569000220 /nfs/dbraw/zinc/00/02/20/569000220.db2.gz SMGPTYZDEACIHE-KRWDZBQOSA-N 0 0 446.872 2.854 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000064963936 569000807 /nfs/dbraw/zinc/00/08/07/569000807.db2.gz UPYJELWFNNBMOG-IBGZPJMESA-N 0 0 444.509 2.799 50 0 IFAARN Cc1ccc2c(=O)c(C(=O)N3CCCC3)cn(CC(=O)Nc3ccc(F)c(F)c3)c2n1 ZINC000064963756 569000830 /nfs/dbraw/zinc/00/08/30/569000830.db2.gz ZTOMVMOTOVHHGD-UHFFFAOYSA-N 0 0 426.423 2.858 50 0 IFAARN CCOc1ccc(-n2c3nc(-c4ccccc4OC)nc(C(N)=O)c3n(CC)c2=O)cc1 ZINC000064965826 569001010 /nfs/dbraw/zinc/00/10/10/569001010.db2.gz LGTVBEOQLVGDRY-UHFFFAOYSA-N 0 0 433.468 2.775 50 0 IFAARN Cc1ccc(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3N3CCCC[C@H]3C2=O)nc1 ZINC000064966722 569001524 /nfs/dbraw/zinc/00/15/24/569001524.db2.gz OBLYFVZWODTXJU-FQEVSTJZSA-N 0 0 447.539 2.970 50 0 IFAARN CC(=O)c1ccc(NC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@H]3C2=O)cc1 ZINC000064966634 569001622 /nfs/dbraw/zinc/00/16/22/569001622.db2.gz ONYBBPWAAOGBLR-NRFANRHFSA-N 0 0 448.523 2.935 50 0 IFAARN CCOC(=O)c1c(C)c(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)n(CC)c1C ZINC000064970514 569076218 /nfs/dbraw/zinc/07/62/18/569076218.db2.gz PKIUOAXAVDMOMT-UHFFFAOYSA-N 0 0 429.517 2.812 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)c(OC)c1 ZINC000064970773 569076339 /nfs/dbraw/zinc/07/63/39/569076339.db2.gz GOLPGGUPQNBOKO-UHFFFAOYSA-N 0 0 447.495 2.533 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)CC1 ZINC000064976521 569077167 /nfs/dbraw/zinc/07/71/67/569077167.db2.gz WIEGYOCGEZFSGX-UHFFFAOYSA-N 0 0 448.976 2.658 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)c1 ZINC000064977610 569077506 /nfs/dbraw/zinc/07/75/06/569077506.db2.gz LNOFJFSZSGPYJU-UHFFFAOYSA-N 0 0 447.499 2.983 50 0 IFAARN COc1cc(NC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)cc(OC)c1 ZINC000064977608 569077520 /nfs/dbraw/zinc/07/75/20/569077520.db2.gz LQRSVBHRALCPMI-UHFFFAOYSA-N 0 0 435.488 2.824 50 0 IFAARN COc1cc(NC(=O)c2nc3ccccc3nc2N2CCN(C)CC2)cc(OC)c1OC ZINC000064979297 569078214 /nfs/dbraw/zinc/07/82/14/569078214.db2.gz NXYAHCXNPJAUBO-UHFFFAOYSA-N 0 0 437.500 2.660 50 0 IFAARN Cc1ccc(C2=NN(C(=O)CN3CCC(C(N)=O)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036342645 569079433 /nfs/dbraw/zinc/07/94/33/569079433.db2.gz BSTRGAWOOJDNGY-OAQYLSRUSA-N 0 0 448.523 2.599 50 0 IFAARN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCN(C)CC2)c(OC)c1 ZINC000036343211 569079595 /nfs/dbraw/zinc/07/95/95/569079595.db2.gz VBQDISHIQCDOHR-JOCHJYFZSA-N 0 0 440.519 2.768 50 0 IFAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCN(C)CC2)c(OC)c1 ZINC000036344192 569080034 /nfs/dbraw/zinc/08/00/34/569080034.db2.gz ZVHILCKGTRMXLW-QFIPXVFZSA-N 0 0 440.519 2.768 50 0 IFAARN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CCN(C)CC2)c(OC)c1 ZINC000036343402 569080500 /nfs/dbraw/zinc/08/05/00/569080500.db2.gz HAJXWULZWQOHFX-HSZRJFAPSA-N 0 0 436.556 2.937 50 0 IFAARN COc1ccccc1[C@H]1CC(c2cccc(C)c2)=NN1C(=O)CN1CCN(C(C)=O)CC1 ZINC000036345322 569080625 /nfs/dbraw/zinc/08/06/25/569080625.db2.gz SFUPZFSHTXVPAE-HSZRJFAPSA-N 0 0 434.540 2.845 50 0 IFAARN CCN(CC)C(=O)[C@@H](NC(=O)CC(C)C)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036347073 569081516 /nfs/dbraw/zinc/08/15/16/569081516.db2.gz BVTXBNYQFIPQAM-QFIPXVFZSA-N 0 0 445.560 2.667 50 0 IFAARN COc1cccc(N2CCN(C(=O)c3cnn4c3ncc3c4CC(C)(C)CC3=O)CC2)c1 ZINC000064987408 569082473 /nfs/dbraw/zinc/08/24/73/569082473.db2.gz SSIMHWIYULKMNL-UHFFFAOYSA-N 0 0 433.512 2.855 50 0 IFAARN CCOc1ccccc1C(=O)NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000064991225 569083583 /nfs/dbraw/zinc/08/35/83/569083583.db2.gz KLXGDSBHVXBASW-UHFFFAOYSA-N 0 0 426.454 2.848 50 0 IFAARN Cc1ccc(CNC(=O)NCc2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000064991509 569084622 /nfs/dbraw/zinc/08/46/22/569084622.db2.gz GSGILRXASCZCMI-UHFFFAOYSA-N 0 0 425.470 2.827 50 0 IFAARN O=C(NC[C@H](c1ccccc1)N1CCCC1)C1=C(c2ccccc2)S(=O)(=O)CCO1 ZINC000036358442 569084993 /nfs/dbraw/zinc/08/49/93/569084993.db2.gz AMHDWJMJAROPGY-HXUWFJFHSA-N 0 0 426.538 2.754 50 0 IFAARN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1=C(c2ccccc2)S(=O)(=O)CCO1 ZINC000036358441 569085054 /nfs/dbraw/zinc/08/50/54/569085054.db2.gz AMHDWJMJAROPGY-FQEVSTJZSA-N 0 0 426.538 2.754 50 0 IFAARN CC(C)CNC(=O)COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O ZINC000036359463 569085765 /nfs/dbraw/zinc/08/57/65/569085765.db2.gz UCWDOZWDEFTUED-UHFFFAOYSA-N 0 0 433.936 2.766 50 0 IFAARN CC[C@H](C)N(C(=O)COC(=O)c1csc2c1CC[C@H](C)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000006838784 569085793 /nfs/dbraw/zinc/08/57/93/569085793.db2.gz TYKILEMHHKDAHO-SOUVJXGZSA-N 0 0 427.588 2.844 50 0 IFAARN CCOCCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000064999632 569086188 /nfs/dbraw/zinc/08/61/88/569086188.db2.gz NZXPIKGTMBIOSF-UHFFFAOYSA-N 0 0 438.571 2.592 50 0 IFAARN O=C(Cc1noc(C(=O)NCc2ccc3c(c2)OCO3)n1)Nc1cccc(C(F)(F)F)c1 ZINC000036364792 569086672 /nfs/dbraw/zinc/08/66/72/569086672.db2.gz KRAMCEKLTHEXTE-UHFFFAOYSA-N 0 0 448.357 2.928 50 0 IFAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000036365576 569086783 /nfs/dbraw/zinc/08/67/83/569086783.db2.gz KIQMSNWDUVIFJU-FQEVSTJZSA-N 0 0 436.516 2.890 50 0 IFAARN Cc1cc(=O)oc2cc(OCC(=O)N3CCN(Cc4ccncc4)CC3)c(Cl)cc12 ZINC000036366701 569087273 /nfs/dbraw/zinc/08/72/73/569087273.db2.gz DCNHVOZOSXXZEB-UHFFFAOYSA-N 0 0 427.888 2.873 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)NCCC2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000065007450 569087583 /nfs/dbraw/zinc/08/75/83/569087583.db2.gz JGGSLSQXQLJUFI-UHFFFAOYSA-N 0 0 432.542 2.925 50 0 IFAARN Cc1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000065009352 569087907 /nfs/dbraw/zinc/08/79/07/569087907.db2.gz VQAKSJIKFHUFCY-UHFFFAOYSA-N 0 0 429.590 2.624 50 0 IFAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NCc3cccnc3)c2oc1C(=O)N1CCOCC1 ZINC000065010744 569088340 /nfs/dbraw/zinc/08/83/40/569088340.db2.gz VJYIDAOXXYDTLC-UHFFFAOYSA-N 0 0 443.525 2.704 50 0 IFAARN COc1cc(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc(OC)c1OC ZINC000065023100 569089216 /nfs/dbraw/zinc/08/92/16/569089216.db2.gz FECGNNFNJHNFFG-UHFFFAOYSA-N 0 0 439.468 2.893 50 0 IFAARN O=C(NCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccccc1Cl ZINC000065029845 569091383 /nfs/dbraw/zinc/09/13/83/569091383.db2.gz ANNKDJLBAVVTTF-UHFFFAOYSA-N 0 0 448.936 2.691 50 0 IFAARN COc1cc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)cc(OC)c1OC ZINC000169749861 569091966 /nfs/dbraw/zinc/09/19/66/569091966.db2.gz SAKWERAIALNLQW-UHFFFAOYSA-N 0 0 440.500 2.897 50 0 IFAARN COC(=O)c1cc(OCC(=O)NCc2ccc(F)cc2)c2cc(OC)c(OC)cc2n1 ZINC000065033493 569091969 /nfs/dbraw/zinc/09/19/69/569091969.db2.gz CBOKVKHMPVNDHF-UHFFFAOYSA-N 0 0 428.416 2.873 50 0 IFAARN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000036382467 569092674 /nfs/dbraw/zinc/09/26/74/569092674.db2.gz MXDLDUWRLWADJC-DHIUTWEWSA-N 0 0 437.540 2.580 50 0 IFAARN CN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)c1ccccc1 ZINC000036384705 569092900 /nfs/dbraw/zinc/09/29/00/569092900.db2.gz ODDSOHSVHDHYLL-UHFFFAOYSA-N 0 0 429.586 2.953 50 0 IFAARN CN(C(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000036385517 569092963 /nfs/dbraw/zinc/09/29/63/569092963.db2.gz UZULHUAHTPYPNA-HSZRJFAPSA-N 0 0 441.597 2.670 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccc(F)c(F)c1 ZINC000169752373 569093133 /nfs/dbraw/zinc/09/31/33/569093133.db2.gz SBXFNOQKKMTHDB-UHFFFAOYSA-N 0 0 428.370 2.711 50 0 IFAARN C[C@H]1CN(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000036387081 569093175 /nfs/dbraw/zinc/09/31/75/569093175.db2.gz LMHRIBWDLVJGHZ-QWRGUYRKSA-N 0 0 443.875 2.583 50 0 IFAARN O=C(c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2)N1CCN(c2ccccc2)CC1 ZINC000169759614 569094282 /nfs/dbraw/zinc/09/42/82/569094282.db2.gz QROYDONBAFKXCG-HSZRJFAPSA-N 0 0 432.480 2.846 50 0 IFAARN CCOc1ccc(NC(=O)Cn2c(=O)c3cnc(-c4ccc(C)cc4)nc3n(C)c2=O)cc1 ZINC000065057173 569095084 /nfs/dbraw/zinc/09/50/84/569095084.db2.gz PFLMDQMNZWTNRA-UHFFFAOYSA-N 0 0 445.479 2.503 50 0 IFAARN CCn1c(=O)n(CC(=O)NCc2cccc(Cl)c2)c(=O)c2cnc(-c3ccccc3)nc21 ZINC000065057301 569095130 /nfs/dbraw/zinc/09/51/30/569095130.db2.gz NBUXEKFAWUKGCW-UHFFFAOYSA-N 0 0 449.898 2.610 50 0 IFAARN CCn1c(=O)n(CC(=O)NCCC2=CCCCC2)c(=O)c2cnc(-c3ccccc3)nc21 ZINC000065057236 569095156 /nfs/dbraw/zinc/09/51/56/569095156.db2.gz ATDFBAWWWXUDGZ-UHFFFAOYSA-N 0 0 433.512 2.647 50 0 IFAARN O=C(CN1C2=C(C(=O)OC2)[C@@H](c2ccccc2Cl)NC1=O)NCc1ccc(F)cc1 ZINC000169764769 569096623 /nfs/dbraw/zinc/09/66/23/569096623.db2.gz NZZVFCYIRYXWHQ-LJQANCHMSA-N 0 0 429.835 2.673 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CN2C(=O)C(c3ccccc3)=NC23CCCC3)CC1 ZINC000169765507 569096786 /nfs/dbraw/zinc/09/67/86/569096786.db2.gz LTJQSTHQVZBECJ-UHFFFAOYSA-N 0 0 446.551 2.946 50 0 IFAARN CCN1CCN(C(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062253 569096822 /nfs/dbraw/zinc/09/68/22/569096822.db2.gz DYZPKGOCRSAXKG-AWEZNQCLSA-N 0 0 434.027 2.602 50 0 IFAARN CCN1CCN(C(=O)[C@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062255 569097060 /nfs/dbraw/zinc/09/70/60/569097060.db2.gz DYZPKGOCRSAXKG-CQSZACIVSA-N 0 0 434.027 2.602 50 0 IFAARN Nc1nc(CN2CCc3cc(S(N)(=O)=O)ccc32)nc2sc3c(c21)CCCCC3 ZINC000036392899 569098289 /nfs/dbraw/zinc/09/82/89/569098289.db2.gz VHZIBSNXXWGXQJ-UHFFFAOYSA-N 0 0 429.571 2.753 50 0 IFAARN COc1cccc(CNC(=O)NCCn2nnc3cc(C(=O)N4CCCCC4)ccc32)c1 ZINC000065075519 569099600 /nfs/dbraw/zinc/09/96/00/569099600.db2.gz JETVKAYYOMIRQT-UHFFFAOYSA-N 0 0 436.516 2.565 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)NCCn2nnc3cc(C(=O)NC(C)C)ccc32)cc1 ZINC000065075631 569099644 /nfs/dbraw/zinc/09/96/44/569099644.db2.gz ZSPQQAMDBWHRJM-UHFFFAOYSA-N 0 0 438.488 2.568 50 0 IFAARN CC(C)n1c2ccc(S(=O)(=O)N3CCN(C(=O)CCC4CCCC4)CC3)cc2oc1=O ZINC000065075889 569099878 /nfs/dbraw/zinc/09/98/78/569099878.db2.gz OMKCHIMXDPIGPQ-UHFFFAOYSA-N 0 0 449.573 2.979 50 0 IFAARN O=C(CCn1nnc2cc(-c3noc(/C=C/c4cccs4)n3)ccc21)N1CCOCC1 ZINC000065076093 569100031 /nfs/dbraw/zinc/10/00/31/569100031.db2.gz VOHDTOFTLOTCAX-GQCTYLIASA-N 0 0 436.497 2.962 50 0 IFAARN COc1ccccc1CNC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077419 569100287 /nfs/dbraw/zinc/10/02/87/569100287.db2.gz KHBSQICZFPWAEI-AWEZNQCLSA-N 0 0 448.566 2.998 50 0 IFAARN C[C@H]1CSc2ccc(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)cc2NC1=O ZINC000065078327 569100484 /nfs/dbraw/zinc/10/04/84/569100484.db2.gz YQKRPBGSHFDCIQ-ZDUSSCGKSA-N 0 0 436.530 2.986 50 0 IFAARN COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c1 ZINC000065077954 569100717 /nfs/dbraw/zinc/10/07/17/569100717.db2.gz PDVXHTBKQTYSOS-CQSZACIVSA-N 0 0 448.566 2.998 50 0 IFAARN Cc1cc(C)cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000036398682 569101478 /nfs/dbraw/zinc/10/14/78/569101478.db2.gz GOAWGXGAFGROAA-UHFFFAOYSA-N 0 0 427.570 2.737 50 0 IFAARN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000036398834 569101617 /nfs/dbraw/zinc/10/16/17/569101617.db2.gz MCQPKOPPHLQIDX-ZNMIVQPWSA-N 0 0 434.027 2.601 50 0 IFAARN COc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1OC ZINC000169775669 569101810 /nfs/dbraw/zinc/10/18/10/569101810.db2.gz KKVHTZFCOMGIOU-UHFFFAOYSA-N 0 0 436.443 2.749 50 0 IFAARN O=C(c1nnn(-c2ccccc2Cl)c1-c1ccncc1)N1CCN(c2ncccn2)CC1 ZINC000065083126 569102155 /nfs/dbraw/zinc/10/21/55/569102155.db2.gz JXQCTYHZZSFNDJ-UHFFFAOYSA-N 0 0 446.902 2.735 50 0 IFAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(N(C)C)c4)ccn3n2)c1 ZINC000169777092 569102250 /nfs/dbraw/zinc/10/22/50/569102250.db2.gz ASWLYISVCBQOAG-UHFFFAOYSA-N 0 0 431.496 2.668 50 0 IFAARN CCOC(=O)N1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn32)CC1 ZINC000169777116 569102451 /nfs/dbraw/zinc/10/24/51/569102451.db2.gz WDZWFCXTBMVHIR-UHFFFAOYSA-N 0 0 433.472 2.720 50 0 IFAARN Cn1c2ccc(S(=O)(=O)N3CCC(CC(=O)Nc4ccccc4)CC3)cc2oc1=O ZINC000065085880 569103164 /nfs/dbraw/zinc/10/31/64/569103164.db2.gz IAODLKKXBPHUJO-UHFFFAOYSA-N 0 0 429.498 2.561 50 0 IFAARN CN(C(=O)CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1)C1CCCCC1 ZINC000065085781 569103202 /nfs/dbraw/zinc/10/32/02/569103202.db2.gz XBMSHKKLNXVQKJ-UHFFFAOYSA-N 0 0 449.573 2.713 50 0 IFAARN COc1cccc(CNS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)c1 ZINC000065097427 569103773 /nfs/dbraw/zinc/10/37/73/569103773.db2.gz NGGULXUNARCXSD-UHFFFAOYSA-N 0 0 448.526 2.521 50 0 IFAARN O=C(c1nnc(-c2csc(S(=O)(=O)NCCc3ccccc3)c2)o1)N1CCCC1 ZINC000065098819 569104400 /nfs/dbraw/zinc/10/44/00/569104400.db2.gz DAWLRROLTQGGIM-UHFFFAOYSA-N 0 0 432.527 2.555 50 0 IFAARN COc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4cccc(C)c4)c(=O)n3c2)cc1 ZINC000065100166 569105211 /nfs/dbraw/zinc/10/52/11/569105211.db2.gz OKFBWVOYBSCUKF-UHFFFAOYSA-N 0 0 431.452 2.704 50 0 IFAARN CCCNC(=O)CCc1nc2ccccc2n(CC(=O)NCc2ccccc2Cl)c1=O ZINC000065101498 569105392 /nfs/dbraw/zinc/10/53/92/569105392.db2.gz NIQUTIAJLQKGAK-UHFFFAOYSA-N 0 0 440.931 2.825 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)Nc4ccccc4C)c(=O)n3c2)cc1 ZINC000065100334 569105478 /nfs/dbraw/zinc/10/54/78/569105478.db2.gz RHMHCSXWLKWAKC-UHFFFAOYSA-N 0 0 429.480 2.682 50 0 IFAARN CCSc1nc2c(s1)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)NCc1ccco1 ZINC000065100702 569105545 /nfs/dbraw/zinc/10/55/45/569105545.db2.gz UXWUKPATIRGQBL-UHFFFAOYSA-N 0 0 442.522 2.630 50 0 IFAARN CSc1nc2c(s1)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)NCc1ccccc1 ZINC000065100441 569105591 /nfs/dbraw/zinc/10/55/91/569105591.db2.gz NBHAHNAERNUFJN-UHFFFAOYSA-N 0 0 438.534 2.647 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)Nc4cccc(C)c4)c(=O)n3c2)cc1 ZINC000065100371 569105622 /nfs/dbraw/zinc/10/56/22/569105622.db2.gz LZKVLYCVCWBARR-UHFFFAOYSA-N 0 0 429.480 2.682 50 0 IFAARN COc1cccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NCC(C)C)c2=O)c1 ZINC000065101632 569105825 /nfs/dbraw/zinc/10/58/25/569105825.db2.gz MGBLYUCHUPEOFW-UHFFFAOYSA-N 0 0 436.512 2.749 50 0 IFAARN COc1cc(NS(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)cc(OC)c1 ZINC000065115118 569106610 /nfs/dbraw/zinc/10/66/10/569106610.db2.gz SLQVCKCHFOGCMW-UHFFFAOYSA-N 0 0 431.470 2.882 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)c2nc(CCS(=O)(=O)c3ccc(F)cc3)no2)cc1 ZINC000065117588 569107659 /nfs/dbraw/zinc/10/76/59/569107659.db2.gz JFHVSNAMSKNSKV-UHFFFAOYSA-N 0 0 447.488 2.942 50 0 IFAARN CCOc1ccc(CNC(=O)c2nc(CCS(=O)(=O)c3ccc(C)cc3)no2)cc1 ZINC000065117379 569107667 /nfs/dbraw/zinc/10/76/67/569107667.db2.gz JWGHQSUQFCJJRE-UHFFFAOYSA-N 0 0 429.498 2.723 50 0 IFAARN CC[C@@H](NC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1)c1ccc(OC)cc1 ZINC000065113994 569108593 /nfs/dbraw/zinc/10/85/93/569108593.db2.gz UHBYZAJIUCTSQB-GOSISDBHSA-N 0 0 444.513 2.877 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)c2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1 ZINC000065114024 569108702 /nfs/dbraw/zinc/10/87/02/569108702.db2.gz JFRRBILIICCKEW-UHFFFAOYSA-N 0 0 444.513 2.704 50 0 IFAARN CC1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)CC1 ZINC000169794613 569109050 /nfs/dbraw/zinc/10/90/50/569109050.db2.gz TXLPZYBQBWHSCW-JCCCHCCOSA-N 0 0 449.573 2.502 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1)Nc1cccc(F)c1 ZINC000065131761 569109583 /nfs/dbraw/zinc/10/95/83/569109583.db2.gz UOASJVZEHVUZIJ-AWEZNQCLSA-N 0 0 429.521 2.842 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)nn1)Nc1cc(F)cc(F)c1 ZINC000065131872 569109713 /nfs/dbraw/zinc/10/97/13/569109713.db2.gz JYLOHHNACLOSRP-CYBMUJFWSA-N 0 0 447.511 2.981 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)nn1)Nc1ccc(F)c(F)c1 ZINC000065131809 569109715 /nfs/dbraw/zinc/10/97/15/569109715.db2.gz HSDQZJULSHKEDT-CYBMUJFWSA-N 0 0 447.511 2.981 50 0 IFAARN Cc1ccc(N2CCN(C(=O)c3ccc(CN4CCN(C(C)C)C(=O)C4=O)cc3)CC2)cc1 ZINC000065129927 569110148 /nfs/dbraw/zinc/11/01/48/569110148.db2.gz VSZJCAIHDWZMKU-UHFFFAOYSA-N 0 0 448.567 2.537 50 0 IFAARN O=C(CN1CCN(C(=O)COCc2nc3ccccc3s2)CC1)Nc1cccc(F)c1 ZINC000036447659 569110784 /nfs/dbraw/zinc/11/07/84/569110784.db2.gz UKXQTVSWELTYIO-UHFFFAOYSA-N 0 0 442.516 2.735 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nccn3c2=O)c1 ZINC000065150659 569111219 /nfs/dbraw/zinc/11/12/19/569111219.db2.gz YXOSJIFWAMITFZ-UHFFFAOYSA-N 0 0 447.451 2.807 50 0 IFAARN COc1cccc(CNC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)c1 ZINC000065150857 569111431 /nfs/dbraw/zinc/11/14/31/569111431.db2.gz OKLYTEJUNJXKFD-UHFFFAOYSA-N 0 0 433.468 2.625 50 0 IFAARN Cn1cc(C(=O)Nc2ccc(Br)cc2)c(S(=O)(=O)N2CCCCCC2)n1 ZINC000065152569 569111889 /nfs/dbraw/zinc/11/18/89/569111889.db2.gz ZCYFPEXIYSEYCO-UHFFFAOYSA-N 0 0 441.351 3.000 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(F)cc4)ncc3C2)cc1 ZINC000065169187 569112706 /nfs/dbraw/zinc/11/27/06/569112706.db2.gz FKSFKXYRNQUKTL-UHFFFAOYSA-N 0 0 426.473 2.988 50 0 IFAARN O=C(COc1ccccc1)N1CCC(COc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000065180044 569113612 /nfs/dbraw/zinc/11/36/12/569113612.db2.gz CYOGBZOUOXGMJD-UHFFFAOYSA-N 0 0 438.524 2.855 50 0 IFAARN CCCc1noc(CN2N=C(C(=O)N3CCCCCC3)S(=O)(=O)c3ccc(C)cc32)n1 ZINC000065183351 569113826 /nfs/dbraw/zinc/11/38/26/569113826.db2.gz MPMOHDBMEWLJMA-UHFFFAOYSA-N 0 0 445.545 2.841 50 0 IFAARN CCOC(=O)[C@@H](CC)N1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc21 ZINC000065183348 569113833 /nfs/dbraw/zinc/11/38/33/569113833.db2.gz NSJXMCHIAGPAIH-MRXNPFEDSA-N 0 0 435.546 2.647 50 0 IFAARN Cc1cccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3cc(Cl)ccc32)c1 ZINC000065183397 569113854 /nfs/dbraw/zinc/11/38/54/569113854.db2.gz DBCDVJUKQBNIOU-UHFFFAOYSA-N 0 0 433.917 2.615 50 0 IFAARN COc1ccc(CNC(=O)C2=NN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)cc1 ZINC000065183455 569113862 /nfs/dbraw/zinc/11/38/62/569113862.db2.gz HSFZQDGRYYLNBH-UHFFFAOYSA-N 0 0 436.493 2.954 50 0 IFAARN O=C(CCn1ccn2nc(-c3ccccc3Cl)cc2c1=O)N1CCC2(CC1)OCCO2 ZINC000065184255 569114100 /nfs/dbraw/zinc/11/41/00/569114100.db2.gz HOAPDCRYZFWMLP-UHFFFAOYSA-N 0 0 442.903 2.572 50 0 IFAARN O=C(Cn1c2csnc2c(=O)n(Cc2ccccc2F)c1=O)NCCC1=CCCCC1 ZINC000065184929 569114120 /nfs/dbraw/zinc/11/41/20/569114120.db2.gz YJNYLJQLGLZFLV-UHFFFAOYSA-N 0 0 442.516 2.814 50 0 IFAARN COC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc3nnc(C)n3c2)o1 ZINC000065198902 569114906 /nfs/dbraw/zinc/11/49/06/569114906.db2.gz HSVLXILTQFQOOA-UHFFFAOYSA-N 0 0 426.454 2.813 50 0 IFAARN COc1ccc(-n2nc(C(=O)N3CCN(c4ccc(C)cc4)CC3)c(=O)cc2OC)cc1 ZINC000065198354 569114908 /nfs/dbraw/zinc/11/49/08/569114908.db2.gz ZGBBITBVCDBJBZ-UHFFFAOYSA-N 0 0 434.496 2.521 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)N[C@@H](C)c4ccc(F)cc4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197174 569115961 /nfs/dbraw/zinc/11/59/61/569115961.db2.gz UUYJUFYLMMZKPI-AWEZNQCLSA-N 0 0 448.454 2.723 50 0 IFAARN O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)c1ccc(Cl)nc1 ZINC000065202930 569115968 /nfs/dbraw/zinc/11/59/68/569115968.db2.gz SHPZJRXKBYAJNF-UHFFFAOYSA-N 0 0 425.851 2.864 50 0 IFAARN COc1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccc(C)cc2)cc1F ZINC000065197154 569116006 /nfs/dbraw/zinc/11/60/06/569116006.db2.gz ICCPTROLBDKUAT-UHFFFAOYSA-N 0 0 434.427 2.793 50 0 IFAARN COc1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccc(C)cc2)c(OC)c1 ZINC000065197140 569116027 /nfs/dbraw/zinc/11/60/27/569116027.db2.gz VBGWCNGRKAKVOC-UHFFFAOYSA-N 0 0 446.463 2.662 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2csc(N3CCN(c4ccccc4)CC3)n2)CC1 ZINC000065211470 569116436 /nfs/dbraw/zinc/11/64/36/569116436.db2.gz NFJTVDXWHUVZSV-UHFFFAOYSA-N 0 0 428.558 2.885 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)Nc3ccccc3C)c2=O)cc1 ZINC000065212606 569116872 /nfs/dbraw/zinc/11/68/72/569116872.db2.gz WIELBDOROLNBHT-UHFFFAOYSA-N 0 0 441.509 2.913 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C[C@H]3CN(C(=O)/C=C/c4cccc(Cl)c4)C[C@@H](C2)O3)cc1 ZINC000065225085 569117719 /nfs/dbraw/zinc/11/77/19/569117719.db2.gz WSALJWQWMMLKHB-BZIUOUAGSA-N 0 0 446.956 2.962 50 0 IFAARN CCOc1ccccc1NC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@H](C1)O2 ZINC000065225163 569117812 /nfs/dbraw/zinc/11/78/12/569117812.db2.gz BWZJTDXKKLMODQ-HDICACEKSA-N 0 0 445.541 2.700 50 0 IFAARN Cc1cc(C)c(CNC(=O)C2CCN(c3cncnc3N3CCN(C)CC3)CC2)c(C)c1 ZINC000065226909 569118012 /nfs/dbraw/zinc/11/80/12/569118012.db2.gz PXKGRJMZZCMZOI-UHFFFAOYSA-N 0 0 436.604 2.686 50 0 IFAARN O=C(NCc1ccc(C(F)(F)F)cc1)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226700 569118033 /nfs/dbraw/zinc/11/80/33/569118033.db2.gz QUPODMQYVGJCKI-UHFFFAOYSA-N 0 0 449.477 2.865 50 0 IFAARN COc1ccc(NC(=O)C2CCN(c3cncnc3N3CCN(C)CC3)CC2)cc1Cl ZINC000065226844 569118054 /nfs/dbraw/zinc/11/80/54/569118054.db2.gz NXOQYGDOCYBCGB-UHFFFAOYSA-N 0 0 444.967 2.746 50 0 IFAARN CCN1c2ccccc2C(=O)NC12CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000065235110 569119261 /nfs/dbraw/zinc/11/92/61/569119261.db2.gz YVQLWDAWPRTVIH-UHFFFAOYSA-N 0 0 439.512 2.915 50 0 IFAARN COc1cc2c(cc(C(=O)N[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)c(OC)c1 ZINC000036585564 569119913 /nfs/dbraw/zinc/11/99/13/569119913.db2.gz AMOKSUONWVETGK-GFCCVEGCSA-N 0 0 425.441 2.681 50 0 IFAARN C=C1C(N2CCC(NC(=O)Cc3cccnc3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239198 569120050 /nfs/dbraw/zinc/12/00/50/569120050.db2.gz GXQQTZLZPNAQGL-UHFFFAOYSA-N 0 0 438.553 2.686 50 0 IFAARN C=C1C(N2CCC(NC(=O)Cc3cccnc3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239169 569120097 /nfs/dbraw/zinc/12/00/97/569120097.db2.gz VKTLCCAJDDMCBR-UHFFFAOYSA-N 0 0 442.516 2.517 50 0 IFAARN C=C1C(N2CCC(NC(=O)COc3ccccc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239140 569120105 /nfs/dbraw/zinc/12/01/05/569120105.db2.gz RXOWSLKIMPQVBE-UHFFFAOYSA-N 0 0 439.537 2.819 50 0 IFAARN C=C1C(N2CCCN(C(=O)c3ccccn3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239398 569120451 /nfs/dbraw/zinc/12/04/51/569120451.db2.gz KAOYVMGYCLWPIL-UHFFFAOYSA-N 0 0 428.489 2.542 50 0 IFAARN C=C1C(N2CCCN(C(=O)c3ccccn3)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239539 569120646 /nfs/dbraw/zinc/12/06/46/569120646.db2.gz IKYLZQSPRAZCJC-UHFFFAOYSA-N 0 0 438.553 2.965 50 0 IFAARN COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1F ZINC000036589840 569121139 /nfs/dbraw/zinc/12/11/39/569121139.db2.gz VSTHLZSUYUJKEL-RFAUZJTJSA-N 0 0 425.258 2.530 50 0 IFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(-c4nnc(C5CC5)o4)co3)CC2)cc1 ZINC000065246632 569121898 /nfs/dbraw/zinc/12/18/98/569121898.db2.gz ABWDDDBLEVANJQ-UHFFFAOYSA-N 0 0 442.497 2.921 50 0 IFAARN Cc1nc(-c2noc(-c3ccncc3)n2)cn1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000065250340 569122179 /nfs/dbraw/zinc/12/21/79/569122179.db2.gz NPMVEJWYAWVFFJ-UHFFFAOYSA-N 0 0 447.474 2.791 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)NC4CCCCC4)c3)nc2)C1 ZINC000065254334 569122555 /nfs/dbraw/zinc/12/25/55/569122555.db2.gz GMIGJEXBNMDOTP-INIZCTEOSA-N 0 0 431.562 2.750 50 0 IFAARN CC1CCN(C(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cn3)cn2)CC1 ZINC000065254353 569122682 /nfs/dbraw/zinc/12/26/82/569122682.db2.gz ZPVPJXJLDRPQQW-KRWDZBQOSA-N 0 0 431.562 2.560 50 0 IFAARN CCS(=O)(=O)N1CCN(c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)n2)CC1 ZINC000036613958 569123936 /nfs/dbraw/zinc/12/39/36/569123936.db2.gz RIXUKYFPRORVSQ-UHFFFAOYSA-N 0 0 442.488 2.570 50 0 IFAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(C)c1 ZINC000036623054 569126725 /nfs/dbraw/zinc/12/67/25/569126725.db2.gz LGUGGUDJKJIYMW-UHFFFAOYSA-N 0 0 428.533 2.606 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000524733083 569126887 /nfs/dbraw/zinc/12/68/87/569126887.db2.gz RRQSDKQBRNZHRR-UXHICEINSA-N 0 0 432.480 2.811 50 0 IFAARN O=C(COC(=O)CNC(=O)NCc1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000036625915 569126969 /nfs/dbraw/zinc/12/69/69/569126969.db2.gz NQJYGQDYIUABGS-UHFFFAOYSA-N 0 0 441.818 2.923 50 0 IFAARN Cc1n[nH]c(C)c1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000524733855 569128008 /nfs/dbraw/zinc/12/80/08/569128008.db2.gz VZKYNGQGBPSALE-QFIPXVFZSA-N 0 0 429.480 2.848 50 0 IFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCCCc1nnc2ccccn21 ZINC000524733970 569128040 /nfs/dbraw/zinc/12/80/40/569128040.db2.gz JOKQDAOFKWKLEE-UQJUWTFNSA-N 0 0 433.512 2.668 50 0 IFAARN CCNc1cc(N2CCC(CCC(=O)NC3CCN(C(=O)OCC)CC3)CC2)ncn1 ZINC000065274256 569128339 /nfs/dbraw/zinc/12/83/39/569128339.db2.gz PFBJBZXVGZCJOD-UHFFFAOYSA-N 0 0 432.569 2.642 50 0 IFAARN C=C1C(N2CCCN(S(=O)(=O)CCC)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065272005 569128834 /nfs/dbraw/zinc/12/88/34/569128834.db2.gz RQXVEMKMBDYIHB-UHFFFAOYSA-N 0 0 445.994 2.560 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)cc1OC ZINC000065272724 569129039 /nfs/dbraw/zinc/12/90/39/569129039.db2.gz RVXXIZHMYXNRRK-CQSZACIVSA-N 0 0 430.526 2.981 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2ccc(Cl)cc2)CC3)CC1 ZINC000065273346 569129353 /nfs/dbraw/zinc/12/93/53/569129353.db2.gz VCLXIYRHHSFOOL-MRXNPFEDSA-N 0 0 432.977 2.886 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)c1 ZINC000065273325 569129380 /nfs/dbraw/zinc/12/93/80/569129380.db2.gz UBNHQXLZCPHNMY-HNNXBMFYSA-N 0 0 444.557 2.572 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC3)CC1 ZINC000065273369 569129506 /nfs/dbraw/zinc/12/95/06/569129506.db2.gz SBJLHDUFXKKABO-HNNXBMFYSA-N 0 0 434.512 2.511 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2ccc(F)cc2F)CC3)CC1 ZINC000065273366 569129527 /nfs/dbraw/zinc/12/95/27/569129527.db2.gz PEEPWYKDJAUEEQ-CQSZACIVSA-N 0 0 434.512 2.511 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCCc2cccs2)CC3)CC1 ZINC000065273554 569129709 /nfs/dbraw/zinc/12/97/09/569129709.db2.gz OVOPHOVRWMLXIZ-OAHLLOKOSA-N 0 0 432.615 2.727 50 0 IFAARN CCC(=O)N1CC[C@](CC)(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000065292018 569130518 /nfs/dbraw/zinc/13/05/18/569130518.db2.gz BWUQISMCURXXMW-IBGZPJMESA-N 0 0 447.523 2.803 50 0 IFAARN CCn1c2cnccc2nc(N2CCN(C(=O)COc3ccc(Cl)cc3C)CC2)c1=O ZINC000065292730 569130700 /nfs/dbraw/zinc/13/07/00/569130700.db2.gz JXADRZXNEUSNOD-UHFFFAOYSA-N 0 0 441.919 2.501 50 0 IFAARN CC(C)Cn1c2cnccc2nc(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)c1=O ZINC000065292849 569130849 /nfs/dbraw/zinc/13/08/49/569130849.db2.gz BYQWRTMRGKEIMI-UHFFFAOYSA-N 0 0 438.507 2.618 50 0 IFAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000065295375 569131308 /nfs/dbraw/zinc/13/13/08/569131308.db2.gz ZEJDWWFAKLASTN-UHFFFAOYSA-N 0 0 431.475 2.931 50 0 IFAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1)NC1CCCCCC1 ZINC000065295352 569131357 /nfs/dbraw/zinc/13/13/57/569131357.db2.gz XICZVBRLLACMEW-UHFFFAOYSA-N 0 0 433.560 2.992 50 0 IFAARN COc1cc(NC(=O)Cn2ncc3c2ncnc3N2CCC(C)CC2)cc(OC)c1OC ZINC000065295547 569131454 /nfs/dbraw/zinc/13/14/54/569131454.db2.gz JPTLHHDGDATBBQ-UHFFFAOYSA-N 0 0 440.504 2.727 50 0 IFAARN Cc1ccc(F)cc1NC(=O)Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1 ZINC000065295692 569131490 /nfs/dbraw/zinc/13/14/90/569131490.db2.gz LVVZJWPCAHLIKR-UHFFFAOYSA-N 0 0 446.490 2.634 50 0 IFAARN CC(=O)Nc1nsc(N2CCC(C(=O)N3CCN(c4cc(C)ccc4C)CC3)CC2)n1 ZINC000065307663 569132494 /nfs/dbraw/zinc/13/24/94/569132494.db2.gz IGCUKXKGPLNRAV-UHFFFAOYSA-N 0 0 442.589 2.679 50 0 IFAARN Cc1ccc(Nc2nc(C)cc3nn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)n32)cc1 ZINC000065307806 569132522 /nfs/dbraw/zinc/13/25/22/569132522.db2.gz OWNVPGZXZOEBFG-UHFFFAOYSA-N 0 0 432.440 2.619 50 0 IFAARN CCCCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CC1 ZINC000036686401 569132849 /nfs/dbraw/zinc/13/28/49/569132849.db2.gz ASBIUKQXHNUCES-UHFFFAOYSA-N 0 0 428.581 2.810 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)n2c2ccsc2c1=O ZINC000065305318 569133123 /nfs/dbraw/zinc/13/31/23/569133123.db2.gz GMXJVTGUDZODBP-UHFFFAOYSA-N 0 0 431.905 2.965 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccccc3CC)c(=O)n2c2ccsc2c1=O ZINC000065305311 569133145 /nfs/dbraw/zinc/13/31/45/569133145.db2.gz LKIKHEVMDRFCIM-UHFFFAOYSA-N 0 0 425.514 2.874 50 0 IFAARN COc1ccc(CNC(=O)CN2c3ccc(Cl)cc3C(=O)N3CCC[C@H]3C2=O)cc1 ZINC000065306886 569133488 /nfs/dbraw/zinc/13/34/88/569133488.db2.gz FDQBGDUEQFEQOG-IBGZPJMESA-N 0 0 427.888 2.616 50 0 IFAARN CCc1nnc2nc(N3CCN(C(=O)Cc4ccccc4Br)CC3)cc(C)n12 ZINC000065311852 569133660 /nfs/dbraw/zinc/13/36/60/569133660.db2.gz RMPFYTKOMNYRKJ-UHFFFAOYSA-N 0 0 443.349 2.649 50 0 IFAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)CC1 ZINC000065315303 569134008 /nfs/dbraw/zinc/13/40/08/569134008.db2.gz ZULGDXSFETZWLM-UHFFFAOYSA-N 0 0 445.564 2.767 50 0 IFAARN O=C(NCc1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000065319160 569134646 /nfs/dbraw/zinc/13/46/46/569134646.db2.gz BCIVLAIOCLYTIA-UHFFFAOYSA-N 0 0 444.488 2.980 50 0 IFAARN O=C(Nc1cc2ccccc2oc1=O)c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000036708444 569135854 /nfs/dbraw/zinc/13/58/54/569135854.db2.gz XJMPDZZPQWNVRG-AWEZNQCLSA-N 0 0 439.449 2.861 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000036716755 569136941 /nfs/dbraw/zinc/13/69/41/569136941.db2.gz XLZVRRLHLQYHCK-QHCPKHFHSA-N 0 0 437.521 2.858 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H](c2ccccc2)c2ccccn2)c1 ZINC000036716756 569136965 /nfs/dbraw/zinc/13/69/65/569136965.db2.gz XLZVRRLHLQYHCK-HSZRJFAPSA-N 0 0 437.521 2.858 50 0 IFAARN COc1cccc(-c2n[nH]cc2C(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)c1 ZINC000238893661 569137705 /nfs/dbraw/zinc/13/77/05/569137705.db2.gz QVQIQLGZWANYJF-UHFFFAOYSA-N 0 0 445.479 2.978 50 0 IFAARN CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]2O1 ZINC000239297289 569138795 /nfs/dbraw/zinc/13/87/95/569138795.db2.gz DYPWYALADNLMHN-SSZWKKLZSA-N 0 0 433.379 2.920 50 0 IFAARN O=C(c1ccc(Oc2cccc(Br)c2)nc1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000065534020 569139429 /nfs/dbraw/zinc/13/94/29/569139429.db2.gz XOOAAXJEULHAOP-OAHLLOKOSA-N 0 0 430.258 2.656 50 0 IFAARN O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N[C@@H]1CCC[C@H]1Cc1ccco1 ZINC000139261365 569140032 /nfs/dbraw/zinc/14/00/32/569140032.db2.gz AUDRWADRXKYILE-CTAFRAEOSA-N 0 0 437.540 2.695 50 0 IFAARN C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)N(C)C ZINC000037115300 569140084 /nfs/dbraw/zinc/14/00/84/569140084.db2.gz IUSYRKCHBSKKJD-CYBMUJFWSA-N 0 0 436.917 2.725 50 0 IFAARN Cc1cccn2cc(CC(=O)N3CCN([C@@H]4CCCN(Cc5ccccc5)C4=O)CC3)nc12 ZINC000170593335 569141108 /nfs/dbraw/zinc/14/11/08/569141108.db2.gz ZSKLCLWCXHEQRS-HSZRJFAPSA-N 0 0 445.567 2.521 50 0 IFAARN CCOc1ccc(-c2cn(C3CN(C(=O)c4cc(-n5ccnc5C)ccn4)C3)nn2)cc1 ZINC000170593249 569141185 /nfs/dbraw/zinc/14/11/85/569141185.db2.gz ORINOGFXVXKMNH-UHFFFAOYSA-N 0 0 429.484 2.930 50 0 IFAARN Cc1sc2nc(CS[C@@H](C)C(=O)NCc3nnc(C4CCC4)n3C)[nH]c(=O)c2c1C ZINC000170594428 569141383 /nfs/dbraw/zinc/14/13/83/569141383.db2.gz WIPBUFZTJRUZMD-LBPRGKRZSA-N 0 0 446.602 2.936 50 0 IFAARN CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000170596856 569141889 /nfs/dbraw/zinc/14/18/89/569141889.db2.gz MBRLCTOYRQEFIV-WBVHZDCISA-N 0 0 439.478 2.960 50 0 IFAARN O=C(C[NH+]1CCC(n2cc([N-]S(=O)(=O)C(F)F)cn2)CC1)NC1CCCCCCC1 ZINC000170598203 569142242 /nfs/dbraw/zinc/14/22/42/569142242.db2.gz HGSMGFBTCYUZAN-UHFFFAOYSA-N 0 0 447.552 2.713 50 0 IFAARN O=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)N1CCO[C@@]2(CCOC2)C1 ZINC000170597567 569142248 /nfs/dbraw/zinc/14/22/48/569142248.db2.gz RKPMVCORLJITEW-FQEVSTJZSA-N 0 0 436.917 2.772 50 0 IFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@H](OCc2csc(C)n2)C1 ZINC000170599086 569142495 /nfs/dbraw/zinc/14/24/95/569142495.db2.gz ZOACDGPORQIKFI-GHTZIAJQSA-N 0 0 426.542 2.798 50 0 IFAARN C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000170599614 569142588 /nfs/dbraw/zinc/14/25/88/569142588.db2.gz OUBGTUUQYNXPCG-QRVBRYPASA-N 0 0 439.597 2.994 50 0 IFAARN C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000170599616 569142628 /nfs/dbraw/zinc/14/26/28/569142628.db2.gz OUBGTUUQYNXPCG-GUDVDZBRSA-N 0 0 439.597 2.994 50 0 IFAARN Cc1ccc([C@](O)(Cc2nc(CNS(=O)(=O)c3ccc(F)cc3)no2)C(F)(F)F)o1 ZINC000170601608 569142930 /nfs/dbraw/zinc/14/29/30/569142930.db2.gz VRVBGCBSDQVHOO-MRXNPFEDSA-N 0 0 449.382 2.581 50 0 IFAARN CN(CCCC(=O)Nc1cn(Cc2ccccc2)nn1)S(=O)(=O)c1ccc(F)cc1 ZINC000170601499 569143005 /nfs/dbraw/zinc/14/30/05/569143005.db2.gz KPKWCOCLZPWAHT-UHFFFAOYSA-N 0 0 431.493 2.505 50 0 IFAARN CC(=O)N1CCN(Cc2ccccc2NC(=O)CN2CCOc3ccc(Cl)cc32)CC1 ZINC000170602422 569143313 /nfs/dbraw/zinc/14/33/13/569143313.db2.gz MMWOTLCGBHBOCW-UHFFFAOYSA-N 0 0 442.947 2.842 50 0 IFAARN C[C@@](O)(CNc1cc(NC[C@@](C)(O)c2ccsc2)n2ncnc2n1)c1ccsc1 ZINC000170603437 569143543 /nfs/dbraw/zinc/14/35/43/569143543.db2.gz DLOIWHRBXODWAC-RTBURBONSA-N 0 0 430.559 2.887 50 0 IFAARN CN(C)C(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1 ZINC000170603620 569143550 /nfs/dbraw/zinc/14/35/50/569143550.db2.gz PSAZOZRTSUWDFN-ZWKOTPCHSA-N 0 0 443.352 2.974 50 0 IFAARN NC(=O)[C@@H]1CCCN1Cc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000170617479 569147341 /nfs/dbraw/zinc/14/73/41/569147341.db2.gz HSEWTOPHMURUHS-KRWDZBQOSA-N 0 0 427.448 2.956 50 0 IFAARN CC(C)(C)c1ccccc1S(=O)(=O)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000170619824 569147512 /nfs/dbraw/zinc/14/75/12/569147512.db2.gz VSZWRJSIPKXVCJ-KRWDZBQOSA-N 0 0 427.526 2.857 50 0 IFAARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(O[C@H]4CCCC[C@@H]4O)cc3)ccc21 ZINC000170631709 569148861 /nfs/dbraw/zinc/14/88/61/569148861.db2.gz VROWYJDNUSLDEY-SFTDATJTSA-N 0 0 430.526 2.943 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000009761663 569149084 /nfs/dbraw/zinc/14/90/84/569149084.db2.gz UHRMPLIGXJNFRO-UHFFFAOYSA-N 0 0 432.429 2.624 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OS(=O)(=O)c1ccc(C)cc1 ZINC000009761591 569149116 /nfs/dbraw/zinc/14/91/16/569149116.db2.gz ZUDRCLKCZFWOHB-UHFFFAOYSA-N 0 0 432.429 2.624 50 0 IFAARN CN(C)C(=O)c1nnn(-c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)n1 ZINC000071000103 569149260 /nfs/dbraw/zinc/14/92/60/569149260.db2.gz YTJSJRPCUYQDQH-UHFFFAOYSA-N 0 0 435.271 2.688 50 0 IFAARN NS(=O)(=O)c1cc(C(=O)OCc2cc3c(cc2Br)OCO3)ccc1Cl ZINC000009869616 569149305 /nfs/dbraw/zinc/14/93/05/569149305.db2.gz RDMDETBTDBOYNL-UHFFFAOYSA-N 0 0 448.678 2.836 50 0 IFAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc(N)n[nH]2)cc1OC ZINC000009908781 569150553 /nfs/dbraw/zinc/15/05/53/569150553.db2.gz CEJIDNAFNJDKEJ-CYBMUJFWSA-N 0 0 444.542 2.936 50 0 IFAARN COc1cc(OC)c([C@H]2CC(=O)Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000071283094 569150620 /nfs/dbraw/zinc/15/06/20/569150620.db2.gz KIUVYIQACJUHDL-TZMCWYRMSA-N 0 0 435.502 2.701 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)CC1 ZINC000071283226 569150706 /nfs/dbraw/zinc/15/07/06/569150706.db2.gz LVDOGAMXYSGAJX-UHFFFAOYSA-N 0 0 438.915 2.921 50 0 IFAARN COc1cccc(NC(=O)C[C@H](C[NH+]2CCN(c3ccccc3OC)CC2)C(=O)[O-])c1 ZINC000071285535 569150927 /nfs/dbraw/zinc/15/09/27/569150927.db2.gz DXJOSQKFPPDYEF-QGZVFWFLSA-N 0 0 427.501 2.555 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000009955830 569151248 /nfs/dbraw/zinc/15/12/48/569151248.db2.gz RUGAZAJAZXKDKO-INIZCTEOSA-N 0 0 442.541 2.758 50 0 IFAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3F)C3CC3)C2=O)cc1 ZINC000009996064 569151388 /nfs/dbraw/zinc/15/13/88/569151388.db2.gz DEMNVDQXPVIMHO-QHCPKHFHSA-N 0 0 425.460 2.793 50 0 IFAARN Cc1cc(C)c(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)cc1C ZINC000010024011 569151405 /nfs/dbraw/zinc/15/14/05/569151405.db2.gz FMAFUTOEQLTFSY-UHFFFAOYSA-N 0 0 430.526 2.757 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000010059995 569152385 /nfs/dbraw/zinc/15/23/85/569152385.db2.gz VBTGZWHKGKCUEM-LLVKDONJSA-N 0 0 428.894 2.671 50 0 IFAARN COc1cccc(CNC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)c1 ZINC000010220807 569153024 /nfs/dbraw/zinc/15/30/24/569153024.db2.gz CSJFWMHIEGLWGY-UHFFFAOYSA-N 0 0 428.286 2.998 50 0 IFAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 ZINC000010217329 569153262 /nfs/dbraw/zinc/15/32/62/569153262.db2.gz WZZVAIJKGIJDDY-UHFFFAOYSA-N 0 0 449.554 2.832 50 0 IFAARN Cc1cc(C)c(CNC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(=O)[nH]1 ZINC000010459365 569154782 /nfs/dbraw/zinc/15/47/82/569154782.db2.gz HNMHOTVULYDOBU-UHFFFAOYSA-N 0 0 431.558 2.875 50 0 IFAARN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1cccc(Cl)n1 ZINC000013572537 569155664 /nfs/dbraw/zinc/15/56/64/569155664.db2.gz NHNSVEGLUJJAHX-OLZOCXBDSA-N 0 0 434.974 2.973 50 0 IFAARN COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)c3cc(C)no3)nc21 ZINC000013595955 569156274 /nfs/dbraw/zinc/15/62/74/569156274.db2.gz HIRLNSZNSNYNDT-UHFFFAOYSA-N 0 0 432.502 2.589 50 0 IFAARN CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)nc1-c1ccccc1 ZINC000013790068 569157032 /nfs/dbraw/zinc/15/70/32/569157032.db2.gz FVWAOEXBZGMAPI-CQSZACIVSA-N 0 0 437.543 2.597 50 0 IFAARN COc1ccc(NC(=O)[C@@H](OC(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2)cc1 ZINC000014172344 569157930 /nfs/dbraw/zinc/15/79/30/569157930.db2.gz IUCGITZAASMIPQ-FQEVSTJZSA-N 0 0 446.525 2.590 50 0 IFAARN COC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000014187403 569158022 /nfs/dbraw/zinc/15/80/22/569158022.db2.gz AITNBWFAPUWPOE-UHFFFAOYSA-N 0 0 441.141 2.785 50 0 IFAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O ZINC000014197869 569158082 /nfs/dbraw/zinc/15/80/82/569158082.db2.gz JYQZFQMWDNECMO-DEOSSOPVSA-N 0 0 434.496 2.693 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1 ZINC000014405343 569159034 /nfs/dbraw/zinc/15/90/34/569159034.db2.gz WGYZIOKYVRMCLT-LJQANCHMSA-N 0 0 428.489 2.519 50 0 IFAARN CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1nnc(Cc2cccc3ccccc32)n1N ZINC000014557707 569159351 /nfs/dbraw/zinc/15/93/51/569159351.db2.gz JINURWRFDTUWIK-CQSZACIVSA-N 0 0 426.546 2.698 50 0 IFAARN Cc1cc2ncn(C[C@@H](O)CNC(=O)CCC(=O)c3ccc4c(c3)OCCO4)c2cc1C ZINC000089609008 569159826 /nfs/dbraw/zinc/15/98/26/569159826.db2.gz IKQPDKSGTMTUFD-SFHVURJKSA-N 0 0 437.496 2.565 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)cc1 ZINC000089638901 569160300 /nfs/dbraw/zinc/16/03/00/569160300.db2.gz SEMPLDRWBSVZLC-UHFFFAOYSA-N 0 0 441.553 2.808 50 0 IFAARN Cc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000089651197 569160495 /nfs/dbraw/zinc/16/04/95/569160495.db2.gz MZCUCXXOGFPYEU-UHFFFAOYSA-N 0 0 440.525 2.669 50 0 IFAARN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000089669150 569161151 /nfs/dbraw/zinc/16/11/51/569161151.db2.gz HYLUSFAUFBQDJC-OFVILXPXSA-N 0 0 435.524 2.778 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N ZINC000089688813 569161285 /nfs/dbraw/zinc/16/12/85/569161285.db2.gz ZUMCQLVACJGGSR-UHFFFAOYSA-N 0 0 444.948 2.776 50 0 IFAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Br)o1 ZINC000089769867 569162530 /nfs/dbraw/zinc/16/25/30/569162530.db2.gz SOSKFFQHRVTWPR-UHFFFAOYSA-N 0 0 449.710 2.969 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)COc2ccccc2)CC3)ccc1F ZINC000016837445 569162626 /nfs/dbraw/zinc/16/26/26/569162626.db2.gz GVPYHZWRJAXVRU-UHFFFAOYSA-N 0 0 448.516 2.553 50 0 IFAARN CCCCC(=O)N1CCN(C(=O)c2cn(CC)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000016838967 569162875 /nfs/dbraw/zinc/16/28/75/569162875.db2.gz DFEAKZQYSWBUQO-UHFFFAOYSA-N 0 0 435.528 2.633 50 0 IFAARN COc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(F)ccc3OC)nn2)cc1 ZINC000016838944 569162889 /nfs/dbraw/zinc/16/28/89/569162889.db2.gz RNYAIBQAXLCKLD-UHFFFAOYSA-N 0 0 433.461 2.657 50 0 IFAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000016838902 569162898 /nfs/dbraw/zinc/16/28/98/569162898.db2.gz AFYDRIQNPXELLJ-UHFFFAOYSA-N 0 0 426.542 2.851 50 0 IFAARN CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(Cc3ccccn3)CC2)c1 ZINC000016839146 569163018 /nfs/dbraw/zinc/16/30/18/569163018.db2.gz SEOOOHYIPQCKEA-UHFFFAOYSA-N 0 0 442.523 2.512 50 0 IFAARN Nc1nc(SCC(=O)NCc2ccc(F)cc2)ncc1S(=O)(=O)c1cccs1 ZINC000016842500 569163483 /nfs/dbraw/zinc/16/34/83/569163483.db2.gz ACZPKQPNRHATCC-UHFFFAOYSA-N 0 0 438.531 2.501 50 0 IFAARN COc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(Cl)cc4)c3=O)n2)cc1 ZINC000016842361 569163495 /nfs/dbraw/zinc/16/34/95/569163495.db2.gz OAWYABGSKGCCGH-UHFFFAOYSA-N 0 0 449.858 2.797 50 0 IFAARN O=C(NCc1ccco1)c1sccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000016844725 569163813 /nfs/dbraw/zinc/16/38/13/569163813.db2.gz LHENYXDWEALABP-UHFFFAOYSA-N 0 0 449.529 2.921 50 0 IFAARN O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)N1CCN(c2ncccn2)CC1 ZINC000016849257 569164579 /nfs/dbraw/zinc/16/45/79/569164579.db2.gz NMAALPOJMIAGSA-UHFFFAOYSA-N 0 0 443.577 2.669 50 0 IFAARN CS(=O)(=O)N1CCN(C(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)CC1 ZINC000016850117 569164604 /nfs/dbraw/zinc/16/46/04/569164604.db2.gz COAROQLLCBFTBO-UHFFFAOYSA-N 0 0 448.492 2.552 50 0 IFAARN CS(=O)(=O)c1ccc(Nc2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 ZINC000016850378 569164618 /nfs/dbraw/zinc/16/46/18/569164618.db2.gz VMXXQBGVSUENNK-UHFFFAOYSA-N 0 0 445.522 2.878 50 0 IFAARN COC(=O)c1cc(-c2ccc(OC)c(C)c2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000016850597 569164713 /nfs/dbraw/zinc/16/47/13/569164713.db2.gz LVRZNYLDQBKGGN-HNNXBMFYSA-N 0 0 429.498 2.870 50 0 IFAARN COC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000016850588 569164761 /nfs/dbraw/zinc/16/47/61/569164761.db2.gz WVGKBHWDKMPTKZ-MRXNPFEDSA-N 0 0 442.497 2.511 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)CCc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)c1 ZINC000016851314 569165031 /nfs/dbraw/zinc/16/50/31/569165031.db2.gz IMAZGKMCQAUOQG-UHFFFAOYSA-N 0 0 425.470 2.613 50 0 IFAARN O=C(CNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)Nc1ccc(F)c(F)c1F ZINC000089836609 569165376 /nfs/dbraw/zinc/16/53/76/569165376.db2.gz YXZVNZUMVVOPCR-INIZCTEOSA-N 0 0 435.402 2.960 50 0 IFAARN COCCn1c(SCC(=O)NCCc2ccccc2)nc2c3ccccc3[nH]c2c1=O ZINC000016942780 569166780 /nfs/dbraw/zinc/16/67/80/569166780.db2.gz LSISSWJAPXGGHM-UHFFFAOYSA-N 0 0 436.537 2.975 50 0 IFAARN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3)nc2O)cc1 ZINC000016954600 569167505 /nfs/dbraw/zinc/16/75/05/569167505.db2.gz AVIIKXLIGJBTFE-UHFFFAOYSA-N 0 0 449.485 2.894 50 0 IFAARN COc1ccc(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)cc1 ZINC000016954914 569167554 /nfs/dbraw/zinc/16/75/54/569167554.db2.gz HPOCHIBPZYYAMP-OAHLLOKOSA-N 0 0 448.526 2.989 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCSC[C@@H]3CCO)ccc2Cl)C1 ZINC000089929825 569167981 /nfs/dbraw/zinc/16/79/81/569167981.db2.gz YWQPFIFRIUSSQQ-HOCLYGCPSA-N 0 0 447.022 2.701 50 0 IFAARN COc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3cccs3)nn12 ZINC000016973530 569168533 /nfs/dbraw/zinc/16/85/33/569168533.db2.gz FMKKRIZQQFNNNX-UHFFFAOYSA-N 0 0 427.511 2.825 50 0 IFAARN COc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3ccccc3F)nn12 ZINC000016973523 569168577 /nfs/dbraw/zinc/16/85/77/569168577.db2.gz YHMBSHPDJBOEKF-UHFFFAOYSA-N 0 0 439.472 2.903 50 0 IFAARN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C)no2)c(OC)c1 ZINC000089960387 569169107 /nfs/dbraw/zinc/16/91/07/569169107.db2.gz PUORCWLPQBBRAK-HNNXBMFYSA-N 0 0 443.547 2.669 50 0 IFAARN CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000089977469 569169372 /nfs/dbraw/zinc/16/93/72/569169372.db2.gz NLPMHIVIYRKUEX-LJQANCHMSA-N 0 0 446.910 2.824 50 0 IFAARN COc1c2ccc(C(=O)N3CCC[C@@H](S(=O)(=O)c4ccc(F)cc4)C3)cc2nn1C ZINC000207983511 569170066 /nfs/dbraw/zinc/17/00/66/569170066.db2.gz ADSSYKFDKJCGHE-QGZVFWFLSA-N 0 0 431.489 2.800 50 0 IFAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000017041313 569171521 /nfs/dbraw/zinc/17/15/21/569171521.db2.gz GGEFSAUJQVWZNZ-FQEVSTJZSA-N 0 0 444.484 2.675 50 0 IFAARN COc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)c(OC)c1 ZINC000017051762 569171903 /nfs/dbraw/zinc/17/19/03/569171903.db2.gz CDHLVDNWXOHIKZ-UHFFFAOYSA-N 0 0 429.498 2.827 50 0 IFAARN Cc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccccc2C(F)(F)F)c3=O)cc1 ZINC000017052354 569171975 /nfs/dbraw/zinc/17/19/75/569171975.db2.gz OQOBDCVYVHXMQE-UHFFFAOYSA-N 0 0 428.374 2.943 50 0 IFAARN Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1C ZINC000017052485 569171984 /nfs/dbraw/zinc/17/19/84/569171984.db2.gz OJEDWIKSXGGCOH-UHFFFAOYSA-N 0 0 431.475 2.929 50 0 IFAARN Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)c2ccccc2)c1 ZINC000017135593 569174360 /nfs/dbraw/zinc/17/43/60/569174360.db2.gz BDUCRAYANJJSIF-UHFFFAOYSA-N 0 0 433.493 2.518 50 0 IFAARN O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCN(c2cccc(Cl)c2)CC1 ZINC000017149974 569174838 /nfs/dbraw/zinc/17/48/38/569174838.db2.gz QETPKDNRGSKLPY-INIZCTEOSA-N 0 0 430.961 2.771 50 0 IFAARN NC(=O)c1ccsc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000017170247 569175404 /nfs/dbraw/zinc/17/54/04/569175404.db2.gz XIGVENMIBLXLNU-JTQLQIEISA-N 0 0 433.964 2.744 50 0 IFAARN O=C(NCCc1csc2nc(-c3cccs3)nn12)C(=O)Nc1ccc2c(c1)OCO2 ZINC000017170208 569175407 /nfs/dbraw/zinc/17/54/07/569175407.db2.gz VPMACAIHBRRXFT-UHFFFAOYSA-N 0 0 441.494 2.545 50 0 IFAARN O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000170635446 569176420 /nfs/dbraw/zinc/17/64/20/569176420.db2.gz IPJULFGCTBZTNR-KBXCAEBGSA-N 0 0 425.872 2.537 50 0 IFAARN CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000170636599 569178113 /nfs/dbraw/zinc/17/81/13/569178113.db2.gz MKLVKBUBLCQRRR-VUCTXSBTSA-N 0 0 427.314 2.980 50 0 IFAARN O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000170637031 569178330 /nfs/dbraw/zinc/17/83/30/569178330.db2.gz JLQSSKAGTRDQKL-HZPDHXFCSA-N 0 0 425.963 2.692 50 0 IFAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N32)cc(OC)c1OC ZINC000002093785 569179090 /nfs/dbraw/zinc/17/90/90/569179090.db2.gz HDSPLXCEIFWXMZ-VGOFRKELSA-N 0 0 435.480 2.508 50 0 IFAARN COc1ccc(C)cc1CN1CCN(CN2C(=O)N[C@@]3(C2=O)[C@H](C)CCC[C@@H]3C)CC1 ZINC000252457617 569184287 /nfs/dbraw/zinc/18/42/87/569184287.db2.gz XDFPZLPFHSBSES-HROJSSOGSA-N 0 0 428.577 2.825 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2ccncc2)cs1 ZINC000009703979 569184467 /nfs/dbraw/zinc/18/44/67/569184467.db2.gz ALVJOOPREFZKGF-UHFFFAOYSA-N 0 0 444.538 2.787 50 0 IFAARN O=C([C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)N1CCN(c2ccccn2)CC1 ZINC000252461698 569184536 /nfs/dbraw/zinc/18/45/36/569184536.db2.gz NLZQAQLBKPPACK-MXVIHJGJSA-N 0 0 431.540 2.947 50 0 IFAARN CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1NC(=O)Cc1csc2nccn12 ZINC000252478982 569186201 /nfs/dbraw/zinc/18/62/01/569186201.db2.gz AYRFGBCXYZDJPU-UHFFFAOYSA-N 0 0 443.529 2.832 50 0 IFAARN Cc1csc(CCNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)n1 ZINC000524733431 569188704 /nfs/dbraw/zinc/18/87/04/569188704.db2.gz RFIDEAYIVKHWSV-OAQYLSRUSA-N 0 0 432.505 2.925 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)n2)cc1 ZINC000524733433 569188717 /nfs/dbraw/zinc/18/87/17/569188717.db2.gz RFIFEWSAFWBPFS-HXUWFJFHSA-N 0 0 435.480 2.740 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000252511765 569188924 /nfs/dbraw/zinc/18/89/24/569188924.db2.gz KKDMISMDIBDVSH-ZTFGCOKTSA-N 0 0 448.361 2.567 50 0 IFAARN C[C@H](C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000252516342 569189190 /nfs/dbraw/zinc/18/91/90/569189190.db2.gz SCZFTINAQACSSV-VQHPVUNQSA-N 0 0 433.549 2.741 50 0 IFAARN Cc1ccc([C@H](NC(=O)CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)c2cccs2)cc1 ZINC000252533186 569189669 /nfs/dbraw/zinc/18/96/69/569189669.db2.gz GEWAGGQZAPNZEM-MUNRUJSPSA-N 0 0 442.610 2.801 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3nc(C)c(C)s3)C2=O)cc1OC ZINC000252551904 569191068 /nfs/dbraw/zinc/19/10/68/569191068.db2.gz UKODLASTLTXOLP-OAHLLOKOSA-N 0 0 446.529 2.863 50 0 IFAARN CCCN(C)C(=O)Cn1c2cc(Cl)ccc2c(=O)n(-c2cccc(C(C)=O)c2)c1=O ZINC000037399321 569194392 /nfs/dbraw/zinc/19/43/92/569194392.db2.gz NJMIXGONRFCNRB-UHFFFAOYSA-N 0 0 427.888 2.877 50 0 IFAARN CC(=O)c1ccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)N3CCCC3)c2=O)cc1 ZINC000037399315 569194397 /nfs/dbraw/zinc/19/43/97/569194397.db2.gz XZNUSDIHSBPPAC-UHFFFAOYSA-N 0 0 425.872 2.631 50 0 IFAARN CC[C@H](C)NC(=O)Cn1c2cc(Cl)ccc2c(=O)n(-c2cccc(C(C)=O)c2)c1=O ZINC000037399461 569194547 /nfs/dbraw/zinc/19/45/47/569194547.db2.gz DLXUPZXIIBPMOF-ZDUSSCGKSA-N 0 0 427.888 2.923 50 0 IFAARN COCC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000037400221 569194803 /nfs/dbraw/zinc/19/48/03/569194803.db2.gz SKKOYJZRAFIJPW-GOSISDBHSA-N 0 0 437.489 2.747 50 0 IFAARN CC[C@@H](C(=O)NCCOC)n1c2cc(Cl)ccc2c(=O)n(-c2cccc(C)c2)c1=O ZINC000037403440 569194942 /nfs/dbraw/zinc/19/49/42/569194942.db2.gz FHEBBEQXYRFVRX-SFHVURJKSA-N 0 0 429.904 2.828 50 0 IFAARN O=C(/N=c1\sccn1Cc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000037428166 569196014 /nfs/dbraw/zinc/19/60/14/569196014.db2.gz SCZJOARWQWHGDM-GYHWCHFESA-N 0 0 425.485 2.951 50 0 IFAARN C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCCOc1ccccc1 ZINC000037503514 569197825 /nfs/dbraw/zinc/19/78/25/569197825.db2.gz WEFOLVTZWYTPIB-PXAZEXFGSA-N 0 0 448.324 2.643 50 0 IFAARN C[C@@H](C(=O)NC1CC1)N1C(=O)COc2ccc(C(=O)COc3ccc(F)c(F)c3)cc21 ZINC000037511458 569197941 /nfs/dbraw/zinc/19/79/41/569197941.db2.gz SNYUBLIWWSWFBZ-LBPRGKRZSA-N 0 0 430.407 2.619 50 0 IFAARN Cc1ccc(F)c(OCC(=O)c2ccc3c(c2)N(CC(=O)NCC2CC2)C(=O)CO3)c1 ZINC000037512343 569198032 /nfs/dbraw/zinc/19/80/32/569198032.db2.gz CEFJPGLQMCHKDH-UHFFFAOYSA-N 0 0 426.444 2.647 50 0 IFAARN CCCCNC(=O)N1C[C@H](C(=O)N2CCN(C(C)=O)CC2)CC[C@H]1c1ccc(F)cc1 ZINC000037546182 569200130 /nfs/dbraw/zinc/20/01/30/569200130.db2.gz HQABTSSRMNNXSF-CTNGQTDRSA-N 0 0 432.540 2.779 50 0 IFAARN Cc1ccc(CN2CCCn3nc(C(=O)NCCC(=O)NCCC(C)C)cc3C2=O)cc1 ZINC000037578825 569201522 /nfs/dbraw/zinc/20/15/22/569201522.db2.gz JEDZYIAALJWWHJ-UHFFFAOYSA-N 0 0 439.560 2.520 50 0 IFAARN C[C@H]1CCC[C@H](C)N1C(=O)CSCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000007813545 569204349 /nfs/dbraw/zinc/20/43/49/569204349.db2.gz RYMYTVITZIESEU-IRXDYDNUSA-N 0 0 426.604 2.730 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccsc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252666122 569209582 /nfs/dbraw/zinc/20/95/82/569209582.db2.gz AOLOQUAMUKJSGU-GOSISDBHSA-N 0 0 428.510 2.999 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(C)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000252667742 569209672 /nfs/dbraw/zinc/20/96/72/569209672.db2.gz DJXDJULZVXVKIT-NRFANRHFSA-N 0 0 435.549 2.754 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000252667743 569209687 /nfs/dbraw/zinc/20/96/87/569209687.db2.gz DJXDJULZVXVKIT-OAQYLSRUSA-N 0 0 435.549 2.754 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252668502 569209699 /nfs/dbraw/zinc/20/96/99/569209699.db2.gz FFNOISLMCFDMHP-HXUWFJFHSA-N 0 0 438.480 2.643 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252675832 569210277 /nfs/dbraw/zinc/21/02/77/569210277.db2.gz VFLXYRPQTHFWTK-HXUWFJFHSA-N 0 0 438.505 2.708 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3O)c(=O)n2[C@H]1c1cccs1 ZINC000252677552 569210504 /nfs/dbraw/zinc/21/05/04/569210504.db2.gz ZCDRLYKQKVPDRA-SFHVURJKSA-N 0 0 426.519 2.565 50 0 IFAARN CCOC(=O)CNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O ZINC000002809788 569212867 /nfs/dbraw/zinc/21/28/67/569212867.db2.gz MOHVPJKIAAIYKP-UHFFFAOYSA-N 0 0 430.888 2.939 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC)c(OC)c2)CS(=O)(=O)C3)cc1 ZINC000003009423 569212946 /nfs/dbraw/zinc/21/29/46/569212946.db2.gz OBMVDEOYLUHLPG-UHFFFAOYSA-N 0 0 443.481 2.579 50 0 IFAARN COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)(=O)C3)cc1OC ZINC000003009328 569212984 /nfs/dbraw/zinc/21/29/84/569212984.db2.gz MAKZLAGABJIGAM-UHFFFAOYSA-N 0 0 445.472 2.638 50 0 IFAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(OC)c(OC)c3)N2C1=O ZINC000002246773 569214529 /nfs/dbraw/zinc/21/45/29/569214529.db2.gz HZXWPYLZVMCYFR-WMZOPIPTSA-N 0 0 434.514 2.932 50 0 IFAARN COCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002249151 569214693 /nfs/dbraw/zinc/21/46/93/569214693.db2.gz FTKVMFSCDJHADG-UHFFFAOYSA-N 0 0 433.468 2.710 50 0 IFAARN COCCCNC(=O)c1c(N)n(-c2ccc(OC)cc2OC)c2nc3ccccc3nc21 ZINC000002258191 569215464 /nfs/dbraw/zinc/21/54/64/569215464.db2.gz OWXFNODVXFYXFK-UHFFFAOYSA-N 0 0 435.484 2.939 50 0 IFAARN CCOc1ccc(CCNC(=O)c2c(N)n(N)c3nc4ccccc4nc32)cc1OCC ZINC000002255286 569216814 /nfs/dbraw/zinc/21/68/14/569216814.db2.gz BETNCTNANUDMQK-UHFFFAOYSA-N 0 0 434.500 2.650 50 0 IFAARN O=C1[C@@H]2CC[C@@]3(Br)C(=O)[C@@]4(Br)CC[C@]1(Br)[C@H]4[C@H]23 ZINC000071786604 569258630 /nfs/dbraw/zinc/25/86/30/569258630.db2.gz ZUTQDYLILJFSLV-GHNBXFNSSA-N 0 0 426.930 2.989 50 0 IFAARN COc1ccc(NC(=O)C[C@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c(OC)c1 ZINC000253394905 569264556 /nfs/dbraw/zinc/26/45/56/569264556.db2.gz VKMYFIGQOHADPZ-LJQANCHMSA-N 0 0 436.468 2.881 50 0 IFAARN COC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)OC(C)(C)C ZINC000114730491 569264986 /nfs/dbraw/zinc/26/49/86/569264986.db2.gz JZWGAKDJDOFGPF-LBPRGKRZSA-N 0 0 427.397 2.524 50 0 IFAARN O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000253403943 569265125 /nfs/dbraw/zinc/26/51/25/569265125.db2.gz QRHIWZHFLVYVJD-HXUWFJFHSA-N 0 0 449.598 2.584 50 0 IFAARN COc1ccc(CCNC(=O)CC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000253409218 569265621 /nfs/dbraw/zinc/26/56/21/569265621.db2.gz LNYGMOMYRWIMTN-UHFFFAOYSA-N 0 0 428.529 2.828 50 0 IFAARN O=C(NCCc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253425248 569267193 /nfs/dbraw/zinc/26/71/93/569267193.db2.gz BXPYSODVYVSYGT-QGZVFWFLSA-N 0 0 443.352 2.742 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253425166 569267211 /nfs/dbraw/zinc/26/72/11/569267211.db2.gz BDQUILWEWSSRLK-QGZVFWFLSA-N 0 0 443.352 2.742 50 0 IFAARN O=C(NCc1cccc(Cl)c1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253427890 569267510 /nfs/dbraw/zinc/26/75/10/569267510.db2.gz OLNFOEKJUXQRLL-MRXNPFEDSA-N 0 0 429.325 2.699 50 0 IFAARN Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccc2c(c1)OCO2 ZINC000002291636 569268032 /nfs/dbraw/zinc/26/80/32/569268032.db2.gz ZHBLQLBTDUIMSC-OAHLLOKOSA-N 0 0 445.479 2.853 50 0 IFAARN CCN1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccc(OC)cc3)c2C(N)=O)C1 ZINC000002316335 569272469 /nfs/dbraw/zinc/27/24/69/569272469.db2.gz FLMMKCODCCPEDB-RMKNXTFCSA-N 0 0 444.582 2.760 50 0 IFAARN COc1cccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c1 ZINC000002346710 569281099 /nfs/dbraw/zinc/28/10/99/569281099.db2.gz RXQQDMVTKMBERB-UHFFFAOYSA-N 0 0 438.538 2.974 50 0 IFAARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccccc1OCc1ccccc1F ZINC000253471004 569282596 /nfs/dbraw/zinc/28/25/96/569282596.db2.gz JVJXIJAVHIVKPE-MRXNPFEDSA-N 0 0 441.459 2.534 50 0 IFAARN O=C(NCCn1nc(-c2ccco2)ccc1=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000253472450 569282828 /nfs/dbraw/zinc/28/28/28/569282828.db2.gz MNDULSVIMHRJSJ-UHFFFAOYSA-N 0 0 444.875 2.540 50 0 IFAARN Cc1ccc(NC(=O)C[C@H]2Cc3c(=O)[nH]c(=O)n(Cc4ccccc4)c3NC2=O)cc1C ZINC000253537596 569284167 /nfs/dbraw/zinc/28/41/67/569284167.db2.gz SPBXVLBNKPGCCH-QGZVFWFLSA-N 0 0 432.480 2.754 50 0 IFAARN COC(=O)C1=CNC(=O)C([C@H](CC(N)=O)c2ccc(OCCc3ccccc3)cc2)C1=O ZINC000253623885 569284587 /nfs/dbraw/zinc/28/45/87/569284587.db2.gz RZGYRXXCYQBLDN-GOSISDBHSA-N 0 0 436.464 2.908 50 0 IFAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2N)cc1 ZINC000002378743 569289661 /nfs/dbraw/zinc/28/96/61/569289661.db2.gz DECKTJAGAPOZOS-UHFFFAOYSA-N 0 0 426.502 2.747 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCc1cn2cc(C)ccc2n1 ZINC000008778624 569290514 /nfs/dbraw/zinc/29/05/14/569290514.db2.gz SHCBBXWHRNINIE-MQDFFIGUSA-N 0 0 448.932 2.917 50 0 IFAARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(Cl)ccc1OC ZINC000225353982 569292825 /nfs/dbraw/zinc/29/28/25/569292825.db2.gz VOQOJYNVSFIOQW-ZFWWWQNUSA-N 0 0 443.880 2.871 50 0 IFAARN NC(=O)COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002412300 569301081 /nfs/dbraw/zinc/30/10/81/569301081.db2.gz KILNZYGDDZZDDL-NRFANRHFSA-N 0 0 430.416 2.996 50 0 IFAARN Cc1cccc2c(C)cc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc12 ZINC000013018554 569307238 /nfs/dbraw/zinc/30/72/38/569307238.db2.gz QOPAEOQYHVEKOV-UHFFFAOYSA-N 0 0 429.567 2.950 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1 ZINC000013030252 569307493 /nfs/dbraw/zinc/30/74/93/569307493.db2.gz XUNCFJHGKFAVOG-UHFFFAOYSA-N 0 0 428.510 2.622 50 0 IFAARN CCn1c(CCC(=O)Nc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000013042374 569308249 /nfs/dbraw/zinc/30/82/49/569308249.db2.gz MCZVBISQTDYKMO-UHFFFAOYSA-N 0 0 442.541 2.648 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)NCc2ccco2)c1 ZINC000013097959 569309811 /nfs/dbraw/zinc/30/98/11/569309811.db2.gz RCFSGEUJTOEUMA-UHFFFAOYSA-N 0 0 445.522 2.588 50 0 IFAARN CCc1cccc(-n2nnnc2N2CCN(C(=O)Nc3ccc(OC)cc3OC)CC2)c1 ZINC000013349752 569313233 /nfs/dbraw/zinc/31/32/33/569313233.db2.gz XAVOLBNBTYLWBF-UHFFFAOYSA-N 0 0 437.504 2.596 50 0 IFAARN CN(C)C(=O)c1cc(S(=O)(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cn1C ZINC000328594078 569317629 /nfs/dbraw/zinc/31/76/29/569317629.db2.gz NXQQLENVZJDHPE-AWEZNQCLSA-N 0 0 448.570 2.711 50 0 IFAARN O=C(Nc1cc(Br)ccc1-n1cccn1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000078719781 569318563 /nfs/dbraw/zinc/31/85/63/569318563.db2.gz QNTAVIIIKYIAJP-JTQLQIEISA-N 0 0 431.212 2.984 50 0 IFAARN C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O ZINC000019354026 569318829 /nfs/dbraw/zinc/31/88/29/569318829.db2.gz SBRAVKULPDOEPI-QFIPXVFZSA-N 0 0 426.423 2.572 50 0 IFAARN CC(C)[C@H](Sc1nccn1Cc1ccccn1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000078808595 569319187 /nfs/dbraw/zinc/31/91/87/569319187.db2.gz GXWYMBWQSGEHHT-IBGZPJMESA-N 0 0 437.573 2.582 50 0 IFAARN CCOCCOc1ccc(S(=O)(=O)N[C@@H](c2noc(C)n2)c2ccccc2OC)cc1 ZINC000078808805 569319193 /nfs/dbraw/zinc/31/91/93/569319193.db2.gz JQFPTYNKJAPCKC-HXUWFJFHSA-N 0 0 447.513 2.870 50 0 IFAARN COc1ccc(CN(C(=O)COC(=O)c2cn(C)c3nc(C)ccc3c2=O)C2CC2)cc1 ZINC000078813123 569319212 /nfs/dbraw/zinc/31/92/12/569319212.db2.gz DFUGFFHWWMYULA-UHFFFAOYSA-N 0 0 435.480 2.599 50 0 IFAARN CCOc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)OC)ccc1OCC(=O)N1CCCCC1 ZINC000078869313 569319549 /nfs/dbraw/zinc/31/95/49/569319549.db2.gz SYMOHWGCVKWTJE-ZWKOTPCHSA-N 0 0 432.517 2.548 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3cccn3C)CC2)cc1 ZINC000078877627 569319885 /nfs/dbraw/zinc/31/98/85/569319885.db2.gz RXNBVOBFHITIEX-SFHVURJKSA-N 0 0 447.601 2.962 50 0 IFAARN O=C(NCC1(O)CCC2(CC1)OCCO2)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000078968603 569320735 /nfs/dbraw/zinc/32/07/35/569320735.db2.gz DKPHZOHBRNDEAP-MRXNPFEDSA-N 0 0 429.300 2.651 50 0 IFAARN CN(C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000078970270 569321004 /nfs/dbraw/zinc/32/10/04/569321004.db2.gz TVOVFUMLBFCUFG-BJJXKVORSA-N 0 0 440.787 2.740 50 0 IFAARN CC1(C)CN=C(N2CCN([C@@H](C(N)=O)c3ccc(Br)cc3F)CC2)S1 ZINC000078969374 569321038 /nfs/dbraw/zinc/32/10/38/569321038.db2.gz LTENUPKXHGWQHC-CQSZACIVSA-N 0 0 429.359 2.614 50 0 IFAARN Cc1ccc(Br)cc1S(=O)(=O)N1CCCc2c1cccc2S(N)(=O)=O ZINC000079001725 569321819 /nfs/dbraw/zinc/32/18/19/569321819.db2.gz XOBBKTYUPBZSER-UHFFFAOYSA-N 0 0 445.360 2.546 50 0 IFAARN C[C@@H](CO)N1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2Br)CC1 ZINC000079016386 569322122 /nfs/dbraw/zinc/32/21/22/569322122.db2.gz PEVZOJZDZCOPIT-RYUDHWBXSA-N 0 0 449.187 2.537 50 0 IFAARN CCS(=O)(=O)c1ccc(S(=O)(=O)NCCc2nc3ccccc3n2C(F)F)cc1 ZINC000079017743 569322137 /nfs/dbraw/zinc/32/21/37/569322137.db2.gz QLCOJHDQSPZUKK-UHFFFAOYSA-N 0 0 443.497 2.746 50 0 IFAARN COc1cc(NC2CCN(CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc(OC)c1 ZINC000079025644 569322727 /nfs/dbraw/zinc/32/27/27/569322727.db2.gz OHIRDJRIRPLWGE-HRAATJIYSA-N 0 0 432.565 2.985 50 0 IFAARN COc1ccc(CN2C[C@@H](C(=O)N[C@H](C)c3noc(Cc4ccccc4)n3)CC2=O)cc1 ZINC000079024933 569322858 /nfs/dbraw/zinc/32/28/58/569322858.db2.gz KYVLJVZEZRNCPW-APWZRJJASA-N 0 0 434.496 2.895 50 0 IFAARN COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)ccn1 ZINC000079045778 569323112 /nfs/dbraw/zinc/32/31/12/569323112.db2.gz FBUHYXQLVUFDFI-UHFFFAOYSA-N 0 0 425.466 2.946 50 0 IFAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000079070962 569324601 /nfs/dbraw/zinc/32/46/01/569324601.db2.gz JFDJESVOILXRPG-SFHVURJKSA-N 0 0 440.544 2.639 50 0 IFAARN COC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C ZINC000079072356 569324605 /nfs/dbraw/zinc/32/46/05/569324605.db2.gz DIWVGHYOBDFRGF-LSDHHAIUSA-N 0 0 432.546 2.681 50 0 IFAARN CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000079098561 569325412 /nfs/dbraw/zinc/32/54/12/569325412.db2.gz GCHTWIYCYACSIH-MOPGFXCFSA-N 0 0 438.613 2.521 50 0 IFAARN Nn1c(SCCC(=O)Nc2cccc(Br)c2)nnc1C1CCOCC1 ZINC000079107324 569325866 /nfs/dbraw/zinc/32/58/66/569325866.db2.gz WXOOKRZHUITAKP-UHFFFAOYSA-N 0 0 426.340 2.769 50 0 IFAARN O=C(Nc1cccc(N2CCNC2=O)c1)N[C@H]1CCS(=O)(=O)c2ccc(Cl)cc21 ZINC000079107224 569325938 /nfs/dbraw/zinc/32/59/38/569325938.db2.gz KWEULOSGZZSUCK-INIZCTEOSA-N 0 0 434.905 2.910 50 0 IFAARN CCn1c2ccccc2n(CC(=O)N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)c1=O ZINC000079111527 569326225 /nfs/dbraw/zinc/32/62/25/569326225.db2.gz WGEXWPDEFJDDLD-QGZVFWFLSA-N 0 0 438.528 2.943 50 0 IFAARN O=C(OCn1nnc2ccccc2c1=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000079183124 569327824 /nfs/dbraw/zinc/32/78/24/569327824.db2.gz KHDIPRASSOBSKM-QZTJIDSGSA-N 0 0 432.480 2.688 50 0 IFAARN COc1ccc2cnn(CC(=O)Nc3nnc(C4CCCCC4)s3)c(=O)c2c1OC ZINC000079495274 569331423 /nfs/dbraw/zinc/33/14/23/569331423.db2.gz NHQHVOWXEXCGIS-UHFFFAOYSA-N 0 0 429.502 2.952 50 0 IFAARN Cc1c(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(=O)n(-c2ccccc2)n1C ZINC000019990518 569332332 /nfs/dbraw/zinc/33/23/32/569332332.db2.gz FLVQDAHRGIDASV-UHFFFAOYSA-N 0 0 426.860 2.502 50 0 IFAARN CCc1cccc2c(C=C3NC(=S)N(CC)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c21 ZINC000020058671 569332987 /nfs/dbraw/zinc/33/29/87/569332987.db2.gz ZZPSCVJTYFKSFD-HPKGMJOESA-N 0 0 440.569 2.988 50 0 IFAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(C)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104398 569334114 /nfs/dbraw/zinc/33/41/14/569334114.db2.gz LGYXRJGYTPHVFD-ISKFKSNPSA-N 0 0 437.540 2.962 50 0 IFAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(C)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104400 569334154 /nfs/dbraw/zinc/33/41/54/569334154.db2.gz LGYXRJGYTPHVFD-VWNXMTODSA-N 0 0 437.540 2.962 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(SC)c(S(=O)(=O)c3ccccc3)c2N)cc1 ZINC000020132772 569335417 /nfs/dbraw/zinc/33/54/17/569335417.db2.gz QFSNSWBXSUAZQD-UHFFFAOYSA-N 0 0 432.527 2.667 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000020154488 569353513 /nfs/dbraw/zinc/35/35/13/569353513.db2.gz ZYVGBUYLAAEJCT-HNNXBMFYSA-N 0 0 448.932 2.636 50 0 IFAARN COc1cccc([C@@H](c2c([O-])[nH]c(=O)[nH]c2=O)[N@H+](Cc2ccccc2)C(C)C)c1OC ZINC000020156023 569353710 /nfs/dbraw/zinc/35/37/10/569353710.db2.gz YIWBPKPYPQNAAI-IBGZPJMESA-N 0 0 425.485 2.786 50 0 IFAARN CCc1ncnc(O[C@@H]2CCN(C(=O)c3cn(CC)c4nc(C)ccc4c3=O)C2)c1F ZINC000390829222 569354104 /nfs/dbraw/zinc/35/41/04/569354104.db2.gz XMLQVMJZWBHVIO-CQSZACIVSA-N 0 0 425.464 2.510 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 ZINC000020181906 569355402 /nfs/dbraw/zinc/35/54/02/569355402.db2.gz SHGZQBXMBYTOSP-UHFFFAOYSA-N 0 0 435.502 2.508 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)N(C)Cc3ccccc3)C(C)C)ccc21 ZINC000020231849 569357105 /nfs/dbraw/zinc/35/71/05/569357105.db2.gz JQAFUOCCXXUNCD-QFIPXVFZSA-N 0 0 443.569 2.557 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(F)c(Cl)c3)ccc21 ZINC000020233196 569357111 /nfs/dbraw/zinc/35/71/11/569357111.db2.gz QBOOPGSSBMFMST-UHFFFAOYSA-N 0 0 439.896 2.695 50 0 IFAARN CCOC(=O)c1sc2nc(SCC(=O)Nc3cccc(C)c3)n(N)c(=O)c2c1C ZINC000020237727 569357465 /nfs/dbraw/zinc/35/74/65/569357465.db2.gz QCNSSRGZEBOHRI-UHFFFAOYSA-N 0 0 432.527 2.696 50 0 IFAARN COC(=O)c1sc2nc(SCC(=O)Nc3ccc(C)c(C)c3)n(N)c(=O)c2c1C ZINC000020237689 569357474 /nfs/dbraw/zinc/35/74/74/569357474.db2.gz CXEVNFGWOXWNDM-UHFFFAOYSA-N 0 0 432.527 2.614 50 0 IFAARN CCN1c2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2[S@@](=O)c2ccccc2C1=O ZINC000020242863 569358302 /nfs/dbraw/zinc/35/83/02/569358302.db2.gz XCNJBOJIHJLIRS-WJOKGBTCSA-N 0 0 440.521 2.813 50 0 IFAARN CCOC(CNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2(=O)=O)OCC ZINC000020242966 569358339 /nfs/dbraw/zinc/35/83/39/569358339.db2.gz FSLMPSCKRIAPIH-UHFFFAOYSA-N 0 0 446.525 2.628 50 0 IFAARN Cc1ccc(CCNC(=O)[C@@H](NS(=O)(=O)c2cccc3nsnc32)C(C)C)cc1 ZINC000020280939 569358750 /nfs/dbraw/zinc/35/87/50/569358750.db2.gz QBVFSPHGHWXING-SFHVURJKSA-N 0 0 432.571 2.662 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281404 569358762 /nfs/dbraw/zinc/35/87/62/569358762.db2.gz XIXYMMHAJJTPLN-DYVFJYSZSA-N 0 0 428.539 2.822 50 0 IFAARN Cc1cccc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000020284485 569358863 /nfs/dbraw/zinc/35/88/63/569358863.db2.gz GPUIRFXSTJTBIB-KRWDZBQOSA-N 0 0 431.514 2.772 50 0 IFAARN CCOc1ccc(NC(=O)c2ccnc(N3CCC(C(=O)N4CCOCC4)CC3)c2)cc1 ZINC000020319959 569360133 /nfs/dbraw/zinc/36/01/33/569360133.db2.gz RPGCGWMLCVYRPG-UHFFFAOYSA-N 0 0 438.528 2.808 50 0 IFAARN Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000095350294 569361792 /nfs/dbraw/zinc/36/17/92/569361792.db2.gz LVYUUNDQJAITQM-IAGOWNOFSA-N 0 0 446.529 2.691 50 0 IFAARN Cc1sc2nc(CN3CCN(C(=O)COc4cccc(C)c4)CC3)[nH]c(=O)c2c1C ZINC000095351312 569362043 /nfs/dbraw/zinc/36/20/43/569362043.db2.gz ZKTJSPAYPIIGTP-UHFFFAOYSA-N 0 0 426.542 2.633 50 0 IFAARN NC(=O)[C@@H]1CCN(C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)C1 ZINC000095360821 569362259 /nfs/dbraw/zinc/36/22/59/569362259.db2.gz OMPBPXWLPOXAEO-GFCCVEGCSA-N 0 0 434.265 2.788 50 0 IFAARN CC(C)(C)c1cc(NC(=O)N[C@H]2CCN(c3ccccc3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000095389702 569363326 /nfs/dbraw/zinc/36/33/26/569363326.db2.gz ZQUVKIIYWGMZLP-FUHWJXTLSA-N 0 0 445.589 2.941 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4nccn43)CC2)c1 ZINC000095401366 569363991 /nfs/dbraw/zinc/36/39/91/569363991.db2.gz YEJCQJSXJODBHX-UHFFFAOYSA-N 0 0 426.498 2.576 50 0 IFAARN O=C([C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020414934 569364300 /nfs/dbraw/zinc/36/43/00/569364300.db2.gz BEESUNCPFLPQOX-HXUWFJFHSA-N 0 0 436.585 2.890 50 0 IFAARN CN(Cc1ccc(Br)cc1)C(=O)C(=O)Nc1ccn(Cc2ccccn2)n1 ZINC000095412668 569365326 /nfs/dbraw/zinc/36/53/26/569365326.db2.gz ASQDHCHNUWMDCY-UHFFFAOYSA-N 0 0 428.290 2.686 50 0 IFAARN CC(C)C(=O)NC[C@H]1CCCN(C(=O)C[S@](=O)Cc2ccc(Br)cc2)C1 ZINC000095435221 569366472 /nfs/dbraw/zinc/36/64/72/569366472.db2.gz UOTIAQRGCTWGER-DXPJPUQTSA-N 0 0 443.407 2.709 50 0 IFAARN C[C@H]1CCc2c(sc3ncnc(N[C@H](Cc4ccccc4)C(=O)NCCC(N)=O)c32)C1 ZINC000095443211 569366825 /nfs/dbraw/zinc/36/68/25/569366825.db2.gz KIIUGZNGHBOIFD-WMLDXEAASA-N 0 0 437.569 2.831 50 0 IFAARN C[C@@H]1CCc2c(sc3ncnc(N[C@H](Cc4ccccc4)C(=O)NCCC(N)=O)c32)C1 ZINC000095443210 569366859 /nfs/dbraw/zinc/36/68/59/569366859.db2.gz KIIUGZNGHBOIFD-RHSMWYFYSA-N 0 0 437.569 2.831 50 0 IFAARN O=C(N[C@@H]1CCCC[C@H]1CO)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000095443385 569366865 /nfs/dbraw/zinc/36/68/65/569366865.db2.gz FGVWWODJKOEKSN-RBBKRZOGSA-N 0 0 430.570 2.908 50 0 IFAARN COC(=O)C[C@H](NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000095444717 569367074 /nfs/dbraw/zinc/36/70/74/569367074.db2.gz OAESVXWOSAQUBG-INIZCTEOSA-N 0 0 434.489 2.601 50 0 IFAARN COc1ccc(NC(=O)CN(CC(F)(F)F)C2CCCC2)cc1S(=O)(=O)N(C)C ZINC000095445093 569367091 /nfs/dbraw/zinc/36/70/91/569367091.db2.gz FFEHJYOAUJDVPW-UHFFFAOYSA-N 0 0 437.484 2.691 50 0 IFAARN COC(=O)[C@@H](CN1C(=O)c2ccccc2C1=O)N(C)Cc1ccc(SC)c(OC)c1 ZINC000095447661 569367519 /nfs/dbraw/zinc/36/75/19/569367519.db2.gz FXSVYXXUEBXQKV-QGZVFWFLSA-N 0 0 428.510 2.687 50 0 IFAARN C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC000095454650 569368408 /nfs/dbraw/zinc/36/84/08/569368408.db2.gz LSTGZMIGYBXFES-DZGCQCFKSA-N 0 0 426.510 2.733 50 0 IFAARN O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000095456439 569368866 /nfs/dbraw/zinc/36/88/66/569368866.db2.gz WATFFVFYPJIFJR-VWLOTQADSA-N 0 0 430.552 2.912 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000095458867 569369180 /nfs/dbraw/zinc/36/91/80/569369180.db2.gz JCUBZQOWAFXNRG-VQTJNVASSA-N 0 0 429.536 2.831 50 0 IFAARN COc1ccc(COCCNC(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)cc1 ZINC000095458875 569369213 /nfs/dbraw/zinc/36/92/13/569369213.db2.gz AUAQDYFVDWNBNS-QFIPXVFZSA-N 0 0 444.528 2.800 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000095458865 569369240 /nfs/dbraw/zinc/36/92/40/569369240.db2.gz JCUBZQOWAFXNRG-WOJBJXKFSA-N 0 0 429.536 2.831 50 0 IFAARN O=C(NCc1ccccc1Cn1cccn1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000095460709 569369796 /nfs/dbraw/zinc/36/97/96/569369796.db2.gz ONBGBKCQEDLWCC-UHFFFAOYSA-N 0 0 443.504 2.833 50 0 IFAARN Cc1c(C(=O)N(C)[C@@H](C(N)=O)c2cccc(Br)c2)cnn1-c1ccccn1 ZINC000095462403 569370079 /nfs/dbraw/zinc/37/00/79/569370079.db2.gz GCFYGRSHRJWJST-QGZVFWFLSA-N 0 0 428.290 2.637 50 0 IFAARN CCOc1cc(CNc2ccc(N3CCNC(=O)C3)nc2)cc(Br)c1OC ZINC000095462143 569370181 /nfs/dbraw/zinc/37/01/81/569370181.db2.gz GWIOASHNVHQHQH-UHFFFAOYSA-N 0 0 435.322 2.800 50 0 IFAARN COc1cccc([C@@H]2[C@H](C(=O)N[C@H](C)C(=O)NCc3ccccc3)CC(=O)N2C2CC2)c1 ZINC000095463666 569370316 /nfs/dbraw/zinc/37/03/16/569370316.db2.gz OOKYKCHLJIJJKX-FQQGMQMYSA-N 0 0 435.524 2.568 50 0 IFAARN Cc1nc([C@@H]2CN(C(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)CCO2)no1 ZINC000095468234 569371227 /nfs/dbraw/zinc/37/12/27/569371227.db2.gz MIRULILNGMTEDB-HIFRSBDPSA-N 0 0 425.411 2.608 50 0 IFAARN NC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)nc1 ZINC000095469893 569371682 /nfs/dbraw/zinc/37/16/82/569371682.db2.gz ZAEHGOHBGWOMNW-UHFFFAOYSA-N 0 0 441.841 2.613 50 0 IFAARN C[C@@H]1CCc2ccccc2N1C(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000095469837 569371687 /nfs/dbraw/zinc/37/16/87/569371687.db2.gz OCTJFHOEEAHIPX-LJQANCHMSA-N 0 0 427.570 2.502 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(-c4cccnc4)cs3)C2=O)cc1 ZINC000095472331 569372118 /nfs/dbraw/zinc/37/21/18/569372118.db2.gz ISKVUWMXNWCBHH-INIZCTEOSA-N 0 0 437.481 2.663 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NC3CCCCCC3)C2=O)cc1OC ZINC000095473773 569372507 /nfs/dbraw/zinc/37/25/07/569372507.db2.gz NRPXZDNQZPPZPM-GOSISDBHSA-N 0 0 431.533 2.990 50 0 IFAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095475641 569372797 /nfs/dbraw/zinc/37/27/97/569372797.db2.gz RPUSFIQCDSBMLH-MRXNPFEDSA-N 0 0 447.417 2.539 50 0 IFAARN COc1ccc([C@H]2[C@@H](C(=O)NCCc3c[nH]cn3)c3ccccc3C(=O)N2C)cc1OC ZINC000095478926 569373670 /nfs/dbraw/zinc/37/36/70/569373670.db2.gz NYPGTDDIHZHTMF-VXKWHMMOSA-N 0 0 434.496 2.696 50 0 IFAARN Cc1sc2nc(CN3CCN(C(=O)c4cnn(C(C)(C)C)c4)CC3)[nH]c(=O)c2c1C ZINC000095938995 569375214 /nfs/dbraw/zinc/37/52/14/569375214.db2.gz KBTOCWJJJSLETQ-UHFFFAOYSA-N 0 0 428.562 2.511 50 0 IFAARN Cc1nc2ccccc2n(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1=O ZINC000095943754 569375693 /nfs/dbraw/zinc/37/56/93/569375693.db2.gz XZWOONJBYRWPRG-UHFFFAOYSA-N 0 0 429.395 2.841 50 0 IFAARN CC(C)c1noc(CCCNC(=O)CCc2ncc(-c3ccc(S(C)(=O)=O)cc3)o2)n1 ZINC000095946542 569376085 /nfs/dbraw/zinc/37/60/85/569376085.db2.gz AOKYJVKJDSWOMZ-UHFFFAOYSA-N 0 0 446.529 2.933 50 0 IFAARN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000095947356 569376374 /nfs/dbraw/zinc/37/63/74/569376374.db2.gz XZZGFXWXDOKQLG-ZDUSSCGKSA-N 0 0 433.438 2.531 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)[C@@H](C)O)cc1 ZINC000095951862 569376676 /nfs/dbraw/zinc/37/66/76/569376676.db2.gz YIVYELVXCKKTMQ-UTKZUKDTSA-N 0 0 432.586 2.979 50 0 IFAARN Cn1ncc2c1ncnc2N1CCN(CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000095949726 569376691 /nfs/dbraw/zinc/37/66/91/569376691.db2.gz WEAWEMLKKARRSU-MUUNZHRXSA-N 0 0 439.372 2.600 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)[C@H](C)O)cc1 ZINC000095951865 569376696 /nfs/dbraw/zinc/37/66/96/569376696.db2.gz YIVYELVXCKKTMQ-LAUBAEHRSA-N 0 0 432.586 2.979 50 0 IFAARN CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCN(c2ncccn2)CC1 ZINC000095976775 569377590 /nfs/dbraw/zinc/37/75/90/569377590.db2.gz PQZLVIGBIBGBDI-UHFFFAOYSA-N 0 0 427.530 2.636 50 0 IFAARN CS(=O)(=O)CCn1cccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1=O ZINC000095976531 569377611 /nfs/dbraw/zinc/37/76/11/569377611.db2.gz VBPPYBCZBHBEJG-UHFFFAOYSA-N 0 0 437.930 2.922 50 0 IFAARN CC(=O)N1CCN(Cc2ccc(NC(=O)[C@H](CC(C)C)N3CCCCC3=O)cc2)CC1 ZINC000095991544 569378134 /nfs/dbraw/zinc/37/81/34/569378134.db2.gz SZAQIBOXWJVZBI-QFIPXVFZSA-N 0 0 428.577 2.716 50 0 IFAARN Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCC[C@H](n3nccc3C(F)(F)F)C2)c1C ZINC000095995486 569378591 /nfs/dbraw/zinc/37/85/91/569378591.db2.gz FTWQNFGNAIRBCR-ZDUSSCGKSA-N 0 0 430.452 2.643 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)COC(=O)C(C)(C)C(=O)OCC(=O)N1CCCC[C@@H]1CC ZINC000095995795 569378798 /nfs/dbraw/zinc/37/87/98/569378798.db2.gz GVSRLJZBJIDXEA-HDICACEKSA-N 0 0 438.565 2.681 50 0 IFAARN CC[C@H]1CCCCN1C(=O)COC(=O)C(C)(C)C(=O)OCC(=O)N1CCCC[C@@H]1CC ZINC000095995796 569378831 /nfs/dbraw/zinc/37/88/31/569378831.db2.gz GVSRLJZBJIDXEA-ROUUACIJSA-N 0 0 438.565 2.681 50 0 IFAARN CCN1CCN(C(=O)Cc2ccc(NC(=O)/C=C\c3ccc(C(=O)OC)cc3)cc2)CC1 ZINC000096055637 569381081 /nfs/dbraw/zinc/38/10/81/569381081.db2.gz XRHULZJAIMAOFE-JYRVWZFOSA-N 0 0 435.524 2.832 50 0 IFAARN COc1cc(NC(=O)N2C[C@H]3C[C@@H]2[C@@H](NS(=O)(=O)c2ccccc2)C3)cc(OC)c1 ZINC000096095716 569381110 /nfs/dbraw/zinc/38/11/10/569381110.db2.gz AUXRBJYYVFIPRV-VOBQZIQPSA-N 0 0 431.514 2.677 50 0 IFAARN CSc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 ZINC000096103278 569381932 /nfs/dbraw/zinc/38/19/32/569381932.db2.gz FMRINIVWBHZBLL-LJQANCHMSA-N 0 0 427.526 2.714 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(C(C)(C)C)cs3)C2=O)cc1OC ZINC000096117058 569384022 /nfs/dbraw/zinc/38/40/22/569384022.db2.gz DRUMJUWJBIUXOS-ZDUSSCGKSA-N 0 0 446.529 2.907 50 0 IFAARN CC(C)C[C@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)c1nnc2ccccn21 ZINC000096117511 569384052 /nfs/dbraw/zinc/38/40/52/569384052.db2.gz QKEGTPZJUFTKKY-IBGZPJMESA-N 0 0 434.475 2.996 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1OC ZINC000096117828 569384271 /nfs/dbraw/zinc/38/42/71/569384271.db2.gz GHPHVOWZCYDPCL-ZDUSSCGKSA-N 0 0 437.374 2.570 50 0 IFAARN O=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000096119121 569384698 /nfs/dbraw/zinc/38/46/98/569384698.db2.gz XIIZCPDIHYDLLT-UHFFFAOYSA-N 0 0 427.892 2.642 50 0 IFAARN O=C1CCc2cc(S(=O)(=O)NCC3(c4cccs4)CCOCC3)cc3c2N1CC3 ZINC000096119230 569384719 /nfs/dbraw/zinc/38/47/19/569384719.db2.gz QPKAYAOYNPUXDC-UHFFFAOYSA-N 0 0 432.567 2.610 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCC(Oc2cccnn2)CC1 ZINC000096119326 569384721 /nfs/dbraw/zinc/38/47/21/569384721.db2.gz VSXHUSXKLSSCBI-CQSZACIVSA-N 0 0 445.317 2.662 50 0 IFAARN O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc(Br)cs1 ZINC000096120531 569384917 /nfs/dbraw/zinc/38/49/17/569384917.db2.gz CRUWCWPGCRQAKS-UHFFFAOYSA-N 0 0 444.376 2.736 50 0 IFAARN COC(=O)c1sccc1S(=O)(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2 ZINC000096121518 569385068 /nfs/dbraw/zinc/38/50/68/569385068.db2.gz XESHHQHLJLCAJT-UHFFFAOYSA-N 0 0 446.554 2.651 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)Cn3ccc4ccc(N5CCOCC5)nc43)CC2)c1 ZINC000096124803 569385629 /nfs/dbraw/zinc/38/56/29/569385629.db2.gz METJLUAWBJQAIR-UHFFFAOYSA-N 0 0 433.556 2.839 50 0 IFAARN COCCn1c(C[C@@H]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)nc2cccnc21 ZINC000096125067 569385652 /nfs/dbraw/zinc/38/56/52/569385652.db2.gz AIZOBFXEMQULAZ-AWEZNQCLSA-N 0 0 436.484 2.609 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@H](C)NC(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC000096210623 569386419 /nfs/dbraw/zinc/38/64/19/569386419.db2.gz LIXBAAAIUMHHIR-ZDUSSCGKSA-N 0 0 433.892 2.915 50 0 IFAARN COCCn1c(CN(CC(C)C)C(C)=O)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000096211176 569386564 /nfs/dbraw/zinc/38/65/64/569386564.db2.gz FBQDDZWHGVLZFO-UHFFFAOYSA-N 0 0 425.526 2.647 50 0 IFAARN COc1cc([C@H]2CN(C(=O)C(C)C)C[C@@H]2C(=O)NCc2ccccn2)cc(OC)c1OC ZINC000096211401 569386740 /nfs/dbraw/zinc/38/67/40/569386740.db2.gz AOKDKYOGEIXDDQ-MOPGFXCFSA-N 0 0 441.528 2.622 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000096231733 569387555 /nfs/dbraw/zinc/38/75/55/569387555.db2.gz AXQPAZWAWISEDI-SFHVURJKSA-N 0 0 445.903 2.644 50 0 IFAARN CSCC[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2[nH]1 ZINC000096231780 569387624 /nfs/dbraw/zinc/38/76/24/569387624.db2.gz BELSOEIQAWNJJJ-IBGZPJMESA-N 0 0 425.558 2.999 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1ccc2ccc(Cl)cc21 ZINC000096232676 569387875 /nfs/dbraw/zinc/38/78/75/569387875.db2.gz CAMJXVNPBWRSOB-KRWDZBQOSA-N 0 0 428.876 2.905 50 0 IFAARN CCOC(=O)/C=C\c1ccc(NC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1 ZINC000096257555 569388035 /nfs/dbraw/zinc/38/80/35/569388035.db2.gz GASWUZURCIAPIN-TWGQIWQCSA-N 0 0 439.516 2.670 50 0 IFAARN COc1cc(-c2noc(CCNS(=O)(=O)c3ccc(C)cc3)n2)cc(OC)c1OC ZINC000096277795 569388839 /nfs/dbraw/zinc/38/88/39/569388839.db2.gz KMIXZMGLMQFYJX-UHFFFAOYSA-N 0 0 433.486 2.592 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000096306048 569392192 /nfs/dbraw/zinc/39/21/92/569392192.db2.gz LFGJJGSBVDOBSX-UHFFFAOYSA-N 0 0 431.452 2.624 50 0 IFAARN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000096315859 569392717 /nfs/dbraw/zinc/39/27/17/569392717.db2.gz ZPVWLOUUMFVEKC-ZBTAVZRMSA-N 0 0 429.586 2.755 50 0 IFAARN Cc1ccc2c(c1)c(=O)n(-c1cccc(C)c1C)c(=O)n2CC(=O)NCc1ccccn1 ZINC000096318233 569393772 /nfs/dbraw/zinc/39/37/72/569393772.db2.gz QVGBJBRSUAMEFG-UHFFFAOYSA-N 0 0 428.492 2.789 50 0 IFAARN CCCn1c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccccc5)C4)n3)cc2[nH]c(=O)c1=O ZINC000096321517 569394096 /nfs/dbraw/zinc/39/40/96/569394096.db2.gz CJVNAPNTMSLNBL-OAHLLOKOSA-N 0 0 431.452 2.670 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3oc2=O)no1 ZINC000096322095 569394351 /nfs/dbraw/zinc/39/43/51/569394351.db2.gz ZKLLPEYNDWCBGK-UHFFFAOYSA-N 0 0 448.888 2.720 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)N4c5ccccc5C[C@H]4C)cc3oc2=O)no1 ZINC000096322128 569394374 /nfs/dbraw/zinc/39/43/74/569394374.db2.gz XADNDQYUPCOXFU-CYBMUJFWSA-N 0 0 440.481 2.728 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)N(CC)Cc4ccccc4)cc3oc2=O)no1 ZINC000096322129 569394380 /nfs/dbraw/zinc/39/43/80/569394380.db2.gz FMJHIKYBOPDSBG-UHFFFAOYSA-N 0 0 442.497 2.799 50 0 IFAARN COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccccc5F)c(=O)n4ccn3n2)cc1 ZINC000096322595 569394799 /nfs/dbraw/zinc/39/47/99/569394799.db2.gz PSJGTZCZCMVYQQ-UHFFFAOYSA-N 0 0 432.415 2.597 50 0 IFAARN Cc1ccc(C)c(-c2cc3c4nn(CC(=O)NCc5ccc(F)cc5)c(=O)n4ccn3n2)c1 ZINC000096322588 569394820 /nfs/dbraw/zinc/39/48/20/569394820.db2.gz AVJFCXLULGXLDK-UHFFFAOYSA-N 0 0 444.470 2.883 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1 ZINC000096323226 569395106 /nfs/dbraw/zinc/39/51/06/569395106.db2.gz MUTWWYVTNLUIQN-UHFFFAOYSA-N 0 0 430.574 2.571 50 0 IFAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1C ZINC000096323355 569395200 /nfs/dbraw/zinc/39/52/00/569395200.db2.gz JJJZKBYRDGHOEX-UHFFFAOYSA-N 0 0 444.479 2.685 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000096323399 569395252 /nfs/dbraw/zinc/39/52/52/569395252.db2.gz GAPNKXAVLCEWHU-UHFFFAOYSA-N 0 0 426.489 2.506 50 0 IFAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3)ccc21)N1CCCC1 ZINC000096324041 569395717 /nfs/dbraw/zinc/39/57/17/569395717.db2.gz HVFLUTQZDVALTQ-UHFFFAOYSA-N 0 0 445.566 2.554 50 0 IFAARN CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCCCC1 ZINC000096324047 569395724 /nfs/dbraw/zinc/39/57/24/569395724.db2.gz LCANUGMCHVIALA-CQSZACIVSA-N 0 0 425.576 2.542 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000096324698 569396012 /nfs/dbraw/zinc/39/60/12/569396012.db2.gz UCJJOCPEXGSMHV-UHFFFAOYSA-N 0 0 433.468 2.734 50 0 IFAARN COc1ccc(CC(=O)N2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)cc1Cl ZINC000096324868 569396061 /nfs/dbraw/zinc/39/60/61/569396061.db2.gz CAKKOHMDIZQOIG-UHFFFAOYSA-N 0 0 439.903 2.661 50 0 IFAARN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000096324923 569396162 /nfs/dbraw/zinc/39/61/62/569396162.db2.gz LVSWRRRQTMPZBP-UHFFFAOYSA-N 0 0 440.301 2.832 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(C(=O)COc2ccc(Cl)cc2)CC3)n1C ZINC000096332603 569396533 /nfs/dbraw/zinc/39/65/33/569396533.db2.gz DLOUJUGEPGODNE-UHFFFAOYSA-N 0 0 446.964 2.945 50 0 IFAARN COC(=O)c1nc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)sc1-c1ccc(F)cc1 ZINC000096344971 569397021 /nfs/dbraw/zinc/39/70/21/569397021.db2.gz PQBGVQYDLXKFTF-UHFFFAOYSA-N 0 0 446.460 2.539 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)N(c3n[nH]c4cccc(F)c43)C1)CC2 ZINC000096345412 569397132 /nfs/dbraw/zinc/39/71/32/569397132.db2.gz RFUMHEJDQFUJLK-HNNXBMFYSA-N 0 0 438.459 2.657 50 0 IFAARN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000096357232 569397381 /nfs/dbraw/zinc/39/73/81/569397381.db2.gz YCDWQEOTPWSNDG-CQSZACIVSA-N 0 0 436.553 2.944 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000096358520 569397559 /nfs/dbraw/zinc/39/75/59/569397559.db2.gz XCUIXNCGOHXLTK-UHFFFAOYSA-N 0 0 448.932 2.946 50 0 IFAARN CC(=O)NCc1csc([C@@H]2CCCN(S(=O)(=O)Cc3cc(F)cc(F)c3)C2)n1 ZINC000096372838 569397917 /nfs/dbraw/zinc/39/79/17/569397917.db2.gz OUGPXCUXSFAUKM-CQSZACIVSA-N 0 0 429.514 2.767 50 0 IFAARN CC(=O)NCc1csc(C2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)n1 ZINC000096372671 569397956 /nfs/dbraw/zinc/39/79/56/569397956.db2.gz XOPQCOKKJIKAGP-UHFFFAOYSA-N 0 0 429.514 2.767 50 0 IFAARN CN(C)c1ccc(C(=O)NCCn2c3ncccc3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000096386047 569398338 /nfs/dbraw/zinc/39/83/38/569398338.db2.gz JCUIMXRYDSFXKP-UHFFFAOYSA-N 0 0 433.487 2.881 50 0 IFAARN O=C(NCCCN1CCCC1=O)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000096386320 569398455 /nfs/dbraw/zinc/39/84/55/569398455.db2.gz BOTBBBVCTHXQDR-UHFFFAOYSA-N 0 0 447.992 2.865 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(c3cnc4nccnc4c3)C2)CC1 ZINC000096387208 569398891 /nfs/dbraw/zinc/39/88/91/569398891.db2.gz ZBYAUQSNMNFBIK-GOSISDBHSA-N 0 0 432.528 2.599 50 0 IFAARN CCCN1CCN(C(=O)CSc2nc3ccc(NS(=O)(=O)CC)cc3s2)CC1 ZINC000096399572 569400130 /nfs/dbraw/zinc/40/01/30/569400130.db2.gz UPBREWQJJPAYNJ-UHFFFAOYSA-N 0 0 442.632 2.704 50 0 IFAARN O=C(c1cncc(Br)c1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096596261 569402120 /nfs/dbraw/zinc/40/21/20/569402120.db2.gz HFWXUHPBIYHPMH-WDZFZDKYSA-N 0 0 436.331 2.603 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccc(F)cc1)=NN3C/C=C\c1ccccc1 ZINC000096936083 569402662 /nfs/dbraw/zinc/40/26/62/569402662.db2.gz NYGJNQYFZXAEJF-TWGQIWQCSA-N 0 0 444.470 2.511 50 0 IFAARN CCCC[C@H](CC)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000096997129 569402839 /nfs/dbraw/zinc/40/28/39/569402839.db2.gz AIIOBDAUANPUFH-PKOBYXMFSA-N 0 0 425.595 2.548 50 0 IFAARN COc1ccccc1CCC(=O)N1CCCN([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097161348 569403229 /nfs/dbraw/zinc/40/32/29/569403229.db2.gz VVOATMITRPXKNN-HSZRJFAPSA-N 0 0 435.568 2.963 50 0 IFAARN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000002469268 569403914 /nfs/dbraw/zinc/40/39/14/569403914.db2.gz FLLSHKJEILEWQZ-FUHWJXTLSA-N 0 0 440.525 2.817 50 0 IFAARN COc1cccc(C(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)[nH]n3)CC2)c1OC ZINC000225563626 569404482 /nfs/dbraw/zinc/40/44/82/569404482.db2.gz FOSLORRFXOVLMB-UHFFFAOYSA-N 0 0 440.422 2.739 50 0 IFAARN COc1nn(C)cc1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1 ZINC000225561949 569404528 /nfs/dbraw/zinc/40/45/28/569404528.db2.gz VDWURUVVMCYHHR-UHFFFAOYSA-N 0 0 426.452 2.563 50 0 IFAARN Cc1cc(F)ccc1S(=O)(=O)N1CCC(c2cc(C(=O)NCC(F)(F)F)[nH]n2)CC1 ZINC000225565210 569404612 /nfs/dbraw/zinc/40/46/12/569404612.db2.gz OIUVDJWGELEKRK-UHFFFAOYSA-N 0 0 448.442 2.718 50 0 IFAARN CCN(CC)C(=O)Cn1cnc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(C)c2c1=O ZINC000002477367 569404621 /nfs/dbraw/zinc/40/46/21/569404621.db2.gz NIVORTRTIXTRRW-UHFFFAOYSA-N 0 0 442.497 2.616 50 0 IFAARN CC(C)(C)C(=O)Cn1c2ccsc2c(=O)n(CCCC(=O)NCc2ccco2)c1=O ZINC000002498315 569405699 /nfs/dbraw/zinc/40/56/99/569405699.db2.gz JHLWIYMWIIMHSZ-UHFFFAOYSA-N 0 0 431.514 2.530 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)sc2c1 ZINC000002502893 569406073 /nfs/dbraw/zinc/40/60/73/569406073.db2.gz PCVZICMQIQRIPC-UHFFFAOYSA-N 0 0 443.506 2.715 50 0 IFAARN C[C@@H](O)c1ccc(C2(CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)CCCC2)s1 ZINC000225685485 569407014 /nfs/dbraw/zinc/40/70/14/569407014.db2.gz SRNOWLHUIXQHCB-CQSZACIVSA-N 0 0 430.526 2.775 50 0 IFAARN COc1ccc(CCC(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)cc1OCc1ccccc1 ZINC000225700938 569407265 /nfs/dbraw/zinc/40/72/65/569407265.db2.gz HZWMFJVHFOZVHJ-LJQANCHMSA-N 0 0 438.480 2.787 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)C1 ZINC000225729152 569407549 /nfs/dbraw/zinc/40/75/49/569407549.db2.gz QIRWJKHZHGDCRB-CQSZACIVSA-N 0 0 443.470 2.791 50 0 IFAARN COc1ccccc1-c1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)[nH]n1 ZINC000225759125 569408157 /nfs/dbraw/zinc/40/81/57/569408157.db2.gz OPQCWPYQNLHCLA-UHFFFAOYSA-N 0 0 445.479 2.566 50 0 IFAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 ZINC000225762143 569408368 /nfs/dbraw/zinc/40/83/68/569408368.db2.gz CDDPAVRYHPVDRR-UHFFFAOYSA-N 0 0 439.472 2.758 50 0 IFAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000028337766 569409719 /nfs/dbraw/zinc/40/97/19/569409719.db2.gz LKXMMZSRCHQMET-UTPRNQHHSA-N 0 0 436.917 2.991 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c1C ZINC000002644847 569414007 /nfs/dbraw/zinc/41/40/07/569414007.db2.gz FYZKLMVZTAXUEQ-HSZRJFAPSA-N 0 0 425.485 2.934 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)NCCc1ccc(Cl)cc1 ZINC000002645223 569414160 /nfs/dbraw/zinc/41/41/60/569414160.db2.gz LTCDGFVJFACMOJ-UHFFFAOYSA-N 0 0 425.872 2.512 50 0 IFAARN COc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1 ZINC000002649862 569414638 /nfs/dbraw/zinc/41/46/38/569414638.db2.gz KMCARZDEUSLZQH-UHFFFAOYSA-N 0 0 448.526 2.523 50 0 IFAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)Nc2cccnc2Cl)c1 ZINC000002651368 569414873 /nfs/dbraw/zinc/41/48/73/569414873.db2.gz RGRSLAPGGFZNEH-UHFFFAOYSA-N 0 0 432.893 2.602 50 0 IFAARN Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1Cl ZINC000002652032 569414984 /nfs/dbraw/zinc/41/49/84/569414984.db2.gz ZTSNLAVQLDPKNL-UHFFFAOYSA-N 0 0 446.312 2.743 50 0 IFAARN CN(C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 ZINC000002653024 569415120 /nfs/dbraw/zinc/41/51/20/569415120.db2.gz PFJAFBVYRXGCAV-UHFFFAOYSA-N 0 0 428.466 2.578 50 0 IFAARN Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000002654208 569415215 /nfs/dbraw/zinc/41/52/15/569415215.db2.gz WREXZOWPXCIVLV-UHFFFAOYSA-N 0 0 443.525 2.853 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccccc2C)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000002693794 569417155 /nfs/dbraw/zinc/41/71/55/569417155.db2.gz IMPVFKXOLVONFW-RTBURBONSA-N 0 0 445.566 2.717 50 0 IFAARN COCCn1c(Cc2cccn2C)nnc1SCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000002713832 569417876 /nfs/dbraw/zinc/41/78/76/569417876.db2.gz MEFBETHFWHZQIU-UHFFFAOYSA-N 0 0 445.545 2.602 50 0 IFAARN COCCn1c(Cc2cccn2C)nnc1SCC(=O)Nc1cc(OC)ccc1OC ZINC000002713829 569417897 /nfs/dbraw/zinc/41/78/97/569417897.db2.gz ISJRJZPIUCVLIH-UHFFFAOYSA-N 0 0 445.545 2.602 50 0 IFAARN COc1cc(NC(=O)c2nc3ncccn3n2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002808256 569422748 /nfs/dbraw/zinc/42/27/48/569422748.db2.gz SQPXMZXLKXDTPC-UHFFFAOYSA-N 0 0 443.872 2.871 50 0 IFAARN CCS(=O)(=O)N1CCC[C@@H](C2N=NC(=S)N2c2cnn(Cc3ccc(C)cc3)c2)C1 ZINC000002808588 569422753 /nfs/dbraw/zinc/42/27/53/569422753.db2.gz XRHKVESLQPDNTD-QGZVFWFLSA-N 0 0 446.602 2.638 50 0 IFAARN CCc1ccc(-n2c(N)c3c(C)nnc-3nc2S[C@@H](CC)C(=O)NCCOC)cc1 ZINC000002927175 569425784 /nfs/dbraw/zinc/42/57/84/569425784.db2.gz WXDKGGBIVQVAEL-INIZCTEOSA-N 0 0 428.562 2.732 50 0 IFAARN CCCNC(=O)Cn1cnc2sc(C(=O)Nc3ccc(OCC)cc3)c(C)c2c1=O ZINC000002937429 569426248 /nfs/dbraw/zinc/42/62/48/569426248.db2.gz FIYDLBVXMRURJI-UHFFFAOYSA-N 0 0 428.514 2.944 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H](C)n2c3ccccc3c3nc(=O)cc(C)n32)cc1OC ZINC000002947840 569427053 /nfs/dbraw/zinc/42/70/53/569427053.db2.gz KISZXXAPTKLLQH-MRXNPFEDSA-N 0 0 434.496 2.895 50 0 IFAARN CCn1c(CN(C)Cc2cccc(OC)c2OC)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000057292094 569430416 /nfs/dbraw/zinc/43/04/16/569430416.db2.gz MQSCOCJTVOLJCP-UHFFFAOYSA-N 0 0 446.573 2.956 50 0 IFAARN CCOc1cc2[nH]c(=O)n(CCCC(=O)N[C@@H]3CCCC[C@@H]3C)c(=O)c2cc1OCC ZINC000002952464 569432274 /nfs/dbraw/zinc/43/22/74/569432274.db2.gz VJWGCNOXOUDWEZ-DOTOQJQBSA-N 0 0 431.533 2.962 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000057415936 569434195 /nfs/dbraw/zinc/43/41/95/569434195.db2.gz WWJULIHYIDGKKU-HXUWFJFHSA-N 0 0 426.542 2.660 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCC(C)C)c2=O)cc1 ZINC000057426690 569434663 /nfs/dbraw/zinc/43/46/63/569434663.db2.gz RCOKQXGBEWUEBB-UHFFFAOYSA-N 0 0 428.514 2.868 50 0 IFAARN CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O ZINC000057427289 569434785 /nfs/dbraw/zinc/43/47/85/569434785.db2.gz ZTRCUPXWZSNFLH-UHFFFAOYSA-N 0 0 447.513 2.689 50 0 IFAARN CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCCCC3)c2=O)cc1 ZINC000057428125 569434809 /nfs/dbraw/zinc/43/48/09/569434809.db2.gz XQDWYUXCUFIHCN-UHFFFAOYSA-N 0 0 427.526 2.684 50 0 IFAARN CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccccc3)c2=O)c1 ZINC000057428044 569434818 /nfs/dbraw/zinc/43/48/18/569434818.db2.gz XSCGJLWZHFQYAA-UHFFFAOYSA-N 0 0 449.532 2.988 50 0 IFAARN COc1cccc(NC(=O)Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)c1 ZINC000057429130 569435039 /nfs/dbraw/zinc/43/50/39/569435039.db2.gz XVVRJTHVADXLLT-UHFFFAOYSA-N 0 0 442.435 2.860 50 0 IFAARN O=C(CN1CCN(c2nccs2)CC1)Nc1cccc(I)c1 ZINC000057466843 569435507 /nfs/dbraw/zinc/43/55/07/569435507.db2.gz ZGNOGTJMUVXECZ-UHFFFAOYSA-N 0 0 428.299 2.508 50 0 IFAARN COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2F)cc1OC ZINC000003020526 569435941 /nfs/dbraw/zinc/43/59/41/569435941.db2.gz NQFOVFLVBWGMCD-UHFFFAOYSA-N 0 0 436.505 2.600 50 0 IFAARN Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1 ZINC000003021831 569435999 /nfs/dbraw/zinc/43/59/99/569435999.db2.gz DBGQCDOZSQGYLP-UHFFFAOYSA-N 0 0 434.489 2.914 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000003025018 569436236 /nfs/dbraw/zinc/43/62/36/569436236.db2.gz UJRJNDBIKDYEFB-UHFFFAOYSA-N 0 0 428.869 2.761 50 0 IFAARN COc1ccc(CNC(=O)Cn2cnc3c(cnn3-c3cc(Cl)ccc3C)c2=O)cc1 ZINC000057486476 569436503 /nfs/dbraw/zinc/43/65/03/569436503.db2.gz WOSYGKCVGVDNMZ-UHFFFAOYSA-N 0 0 437.887 2.869 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2cccc(C)c2)c1=O ZINC000057490016 569437072 /nfs/dbraw/zinc/43/70/72/569437072.db2.gz UNQQMBNZURNSJW-UHFFFAOYSA-N 0 0 449.488 2.948 50 0 IFAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NCCCc2ccccc2)c1=O ZINC000057490852 569437273 /nfs/dbraw/zinc/43/72/73/569437273.db2.gz JGLOSWIISBJYDL-UHFFFAOYSA-N 0 0 449.532 2.972 50 0 IFAARN CCCCNC(=O)Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O ZINC000057504457 569438150 /nfs/dbraw/zinc/43/81/50/569438150.db2.gz KJHOBKFRVAEMTM-UHFFFAOYSA-N 0 0 426.864 2.783 50 0 IFAARN CC1CCN(C(=O)Cn2nc3c(-c4nc(-c5cccc(F)c5)no4)cccn3c2=O)CC1 ZINC000057504186 569438160 /nfs/dbraw/zinc/43/81/60/569438160.db2.gz QCHBPQXWKDBFNQ-UHFFFAOYSA-N 0 0 436.447 2.611 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)cc(C)nc2N2CCc3ccccc3C2)cc1OC ZINC000057506563 569438272 /nfs/dbraw/zinc/43/82/72/569438272.db2.gz RIQDTOQVEUTUDS-UHFFFAOYSA-N 0 0 434.496 2.770 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000029895885 569438279 /nfs/dbraw/zinc/43/82/79/569438279.db2.gz ABTFJPFKUPWCKH-NSHDSACASA-N 0 0 430.404 2.798 50 0 IFAARN COc1ccc(C)cc1NC(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 ZINC000057520311 569438768 /nfs/dbraw/zinc/43/87/68/569438768.db2.gz RJIXXAXEAYAGCM-UHFFFAOYSA-N 0 0 438.513 2.602 50 0 IFAARN CCCc1nnc2c(=O)n(CC(=O)Nc3cccc(C(=O)OCC)c3)c3ccccc3n12 ZINC000057522657 569438978 /nfs/dbraw/zinc/43/89/78/569438978.db2.gz OBTZJUULYADTKB-UHFFFAOYSA-N 0 0 433.468 2.812 50 0 IFAARN CCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000057522039 569439005 /nfs/dbraw/zinc/43/90/05/569439005.db2.gz MQJFFAPKDFSUFC-UHFFFAOYSA-N 0 0 432.502 2.810 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@H]1[C@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000230138338 569439190 /nfs/dbraw/zinc/43/91/90/569439190.db2.gz OCMPGTANAGIBQD-GGAORHGYSA-N 0 0 447.514 2.808 50 0 IFAARN CCOC(=O)[C@@H]1[C@@H](c2c(OC)ccc3ccccc32)NC(=S)N[C@]1(O)C(F)(F)F ZINC000057531351 569439451 /nfs/dbraw/zinc/43/94/51/569439451.db2.gz SAOWSHFBPDQXGO-HDMKZQKVSA-N 0 0 428.432 2.797 50 0 IFAARN Cc1cccc(N2CCN(Cc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)c1C ZINC000057679918 569440841 /nfs/dbraw/zinc/44/08/41/569440841.db2.gz LHQRRHRNYVGFDI-UHFFFAOYSA-N 0 0 429.586 2.647 50 0 IFAARN O=C(CNc1ccccc1I)NC(=O)NCCc1cccs1 ZINC000030286363 569441445 /nfs/dbraw/zinc/44/14/45/569441445.db2.gz ALRLNGRMECTZQY-UHFFFAOYSA-N 0 0 429.283 2.833 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@@H]1CCCc2ccccc21 ZINC000003235070 569442406 /nfs/dbraw/zinc/44/24/06/569442406.db2.gz RXYLSMLEEICBEB-JOCHJYFZSA-N 0 0 428.554 2.834 50 0 IFAARN COc1cc(/C=C/C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc(OC)c1OC ZINC000030481732 569442788 /nfs/dbraw/zinc/44/27/88/569442788.db2.gz ULNSOKXSCLITQW-SNAWJCMRSA-N 0 0 430.423 2.643 50 0 IFAARN COc1ccc(CCNC(=O)COC(=O)c2ccccc2I)cc1 ZINC000003265251 569443382 /nfs/dbraw/zinc/44/33/82/569443382.db2.gz QSCDOLFZGHFRDT-UHFFFAOYSA-N 0 0 439.249 2.816 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000003278996 569443785 /nfs/dbraw/zinc/44/37/85/569443785.db2.gz MNEUQHOOHFMSNF-UHFFFAOYSA-N 0 0 440.481 2.963 50 0 IFAARN Cc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)c(O)c1 ZINC000057988036 569444017 /nfs/dbraw/zinc/44/40/17/569444017.db2.gz XNKQPHMOILXSSW-HXUWFJFHSA-N 0 0 434.514 2.804 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O ZINC000003287372 569444190 /nfs/dbraw/zinc/44/41/90/569444190.db2.gz CGXRVUIDAJDESQ-HXUWFJFHSA-N 0 0 431.395 2.890 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)N1CCOCC1 ZINC000003292944 569444505 /nfs/dbraw/zinc/44/45/05/569444505.db2.gz YXKOFMGHNKVPKP-UHFFFAOYSA-N 0 0 447.463 2.938 50 0 IFAARN C/C=C/c1ccc(OC[C@H](O)Cn2cnc3cc(OC)c(OC)cc3c2=O)c(OC)c1 ZINC000058010425 569444817 /nfs/dbraw/zinc/44/48/17/569444817.db2.gz HRCWOYBVCDNWJV-SQRWCISFSA-N 0 0 426.469 2.895 50 0 IFAARN O=C(COC(=O)COc1ccc(I)cc1)NCc1ccc(F)cc1 ZINC000003300528 569445005 /nfs/dbraw/zinc/44/50/05/569445005.db2.gz JTOTVVULKMDZLP-UHFFFAOYSA-N 0 0 443.212 2.669 50 0 IFAARN Cn1c(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc2c1c1ccccc1[nH]c2=O ZINC000058049204 569445946 /nfs/dbraw/zinc/44/59/46/569445946.db2.gz ZLQVYLIODQTBAJ-UHFFFAOYSA-N 0 0 447.514 2.711 50 0 IFAARN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)OCC(=O)NCC(F)(F)F)c1 ZINC000003322711 569446016 /nfs/dbraw/zinc/44/60/16/569446016.db2.gz FMBPHRXDPXAUPS-UHFFFAOYSA-N 0 0 448.394 2.770 50 0 IFAARN COc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)c1 ZINC000003337570 569446723 /nfs/dbraw/zinc/44/67/23/569446723.db2.gz ATOIZPYDVJWYLG-UHFFFAOYSA-N 0 0 447.509 2.918 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)C(C)(C)C ZINC000003342248 569446913 /nfs/dbraw/zinc/44/69/13/569446913.db2.gz IMNIUWNKNUUMKT-HNNXBMFYSA-N 0 0 434.352 2.910 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc2nsnc21 ZINC000058133306 569448353 /nfs/dbraw/zinc/44/83/53/569448353.db2.gz LOWJYABTNXZVPL-UHFFFAOYSA-N 0 0 432.527 2.883 50 0 IFAARN O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1F ZINC000058136183 569448374 /nfs/dbraw/zinc/44/83/74/569448374.db2.gz ZJASHYVUUBXVHF-QHCPKHFHSA-N 0 0 447.514 2.839 50 0 IFAARN COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000003373339 569448535 /nfs/dbraw/zinc/44/85/35/569448535.db2.gz ZZEOFVBYKWFDHF-UHFFFAOYSA-N 0 0 448.431 2.558 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CCc2ccccc2C1 ZINC000003373254 569448543 /nfs/dbraw/zinc/44/85/43/569448543.db2.gz YQISFWOGHFWUDG-UHFFFAOYSA-N 0 0 444.443 2.818 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1OC ZINC000003373163 569448579 /nfs/dbraw/zinc/44/85/79/569448579.db2.gz DOBYUKZPDKZKDP-UHFFFAOYSA-N 0 0 447.948 2.781 50 0 IFAARN COC(=O)c1c(C)nsc1NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000058162846 569449362 /nfs/dbraw/zinc/44/93/62/569449362.db2.gz OGWYOFYLDRZYJG-UHFFFAOYSA-N 0 0 448.936 2.889 50 0 IFAARN CCc1cccc2c(C(=O)COC(=O)[C@H]3Cc4ccccc4CN3S(C)(=O)=O)c[nH]c21 ZINC000003441701 569451281 /nfs/dbraw/zinc/45/12/81/569451281.db2.gz AOPBIJLYHJAQFW-HXUWFJFHSA-N 0 0 440.521 2.843 50 0 IFAARN Cc1cc2nnc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)n2c2ccccc12 ZINC000003444925 569451364 /nfs/dbraw/zinc/45/13/64/569451364.db2.gz VGXOZPWIIVEWBJ-UHFFFAOYSA-N 0 0 438.513 2.569 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccccc1OCC ZINC000003497163 569452659 /nfs/dbraw/zinc/45/26/59/569452659.db2.gz XEWWYZDPFQEGBD-UHFFFAOYSA-N 0 0 427.486 2.969 50 0 IFAARN CNC(=O)NC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F ZINC000003495893 569452674 /nfs/dbraw/zinc/45/26/74/569452674.db2.gz VBHHGNGXWJOSRY-UHFFFAOYSA-N 0 0 438.843 2.865 50 0 IFAARN CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003496873 569452677 /nfs/dbraw/zinc/45/26/77/569452677.db2.gz RDRCCXUKRRQFOF-CYBMUJFWSA-N 0 0 427.486 2.952 50 0 IFAARN COc1ccc(S(=O)(=O)NCCNC(=O)NCc2ccc3cc(OC)ccc3c2)cc1 ZINC000031034241 569452719 /nfs/dbraw/zinc/45/27/19/569452719.db2.gz UNXIKKPMRSJTNY-UHFFFAOYSA-N 0 0 443.525 2.635 50 0 IFAARN O=C(CCNC(=O)c1ccc(Br)cc1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000031035320 569452735 /nfs/dbraw/zinc/45/27/35/569452735.db2.gz SCPXUYNRQJIZTN-UHFFFAOYSA-N 0 0 448.317 2.583 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)nc3nc(C(F)(F)F)nn3c1C)CC2 ZINC000031035911 569452737 /nfs/dbraw/zinc/45/27/37/569452737.db2.gz VGXAZNMSXOFEKZ-UHFFFAOYSA-N 0 0 449.433 2.905 50 0 IFAARN CCN(C(=O)CSc1ncnc2sc3c(c21)CC[C@H](C)C3)[C@@H]1CCS(=O)(=O)C1 ZINC000003502799 569452852 /nfs/dbraw/zinc/45/28/52/569452852.db2.gz JLHZYHRJSXRUHR-QWHCGFSZSA-N 0 0 439.628 2.944 50 0 IFAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003519987 569453169 /nfs/dbraw/zinc/45/31/69/569453169.db2.gz HKMGSNLTBWWGHF-UHFFFAOYSA-N 0 0 437.481 2.888 50 0 IFAARN CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000003522793 569453296 /nfs/dbraw/zinc/45/32/96/569453296.db2.gz FJCIGRJQTHTZKQ-ZDUSSCGKSA-N 0 0 428.489 2.910 50 0 IFAARN Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)n1C ZINC000003533174 569453459 /nfs/dbraw/zinc/45/34/59/569453459.db2.gz HSRRRNYUZLZMPU-UHFFFAOYSA-N 0 0 430.482 2.753 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c1C ZINC000003542529 569453596 /nfs/dbraw/zinc/45/35/96/569453596.db2.gz KAGIFFKITHLTPH-UHFFFAOYSA-N 0 0 448.273 2.936 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)COc3cccc(F)c3)CC2)c1C ZINC000003557032 569453912 /nfs/dbraw/zinc/45/39/12/569453912.db2.gz UUZGMZDTSFEAIS-UHFFFAOYSA-N 0 0 434.533 2.971 50 0 IFAARN O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(CSc3nc[nH]n3)cc2)CC1 ZINC000031192091 569454615 /nfs/dbraw/zinc/45/46/15/569454615.db2.gz BAWGSHFJGIEMDW-UHFFFAOYSA-N 0 0 425.489 2.834 50 0 IFAARN COc1ccc(Br)c(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c1 ZINC000031207701 569454776 /nfs/dbraw/zinc/45/47/76/569454776.db2.gz ZSMUCKBPRYSIRC-OAHLLOKOSA-N 0 0 438.366 2.617 50 0 IFAARN CNC(=O)c1ccc(CN(C)c2cnn(-c3ccccc3C(=O)OC)c(=O)c2Cl)cc1 ZINC000058603095 569456513 /nfs/dbraw/zinc/45/65/13/569456513.db2.gz YAKKQQQWQDOSDB-UHFFFAOYSA-N 0 0 440.887 2.669 50 0 IFAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1=O)C2=O ZINC000031495857 569456548 /nfs/dbraw/zinc/45/65/48/569456548.db2.gz TXDZFLLPGZMCMP-IQMFZBJNSA-N 0 0 426.517 2.889 50 0 IFAARN O=C(NCCN1CCN(c2ccccc2)CC1)c1ccccc1I ZINC000031539077 569456723 /nfs/dbraw/zinc/45/67/23/569456723.db2.gz PLGAOVDGSDRWKP-UHFFFAOYSA-N 0 0 435.309 2.843 50 0 IFAARN CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H](C)c3cnn(-c4ccc(F)cc4)c3C)ccc21 ZINC000031562529 569456782 /nfs/dbraw/zinc/45/67/82/569456782.db2.gz XOWOQNDKBWTIMP-ZDUSSCGKSA-N 0 0 435.459 2.834 50 0 IFAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000008397374 569463242 /nfs/dbraw/zinc/46/32/42/569463242.db2.gz BZWBPYBIYIFVTB-UHFFFAOYSA-N 0 0 435.354 2.689 50 0 IFAARN CCOC(=O)C1=C(Cn2cnc3ccc(Cl)cc3c2=O)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000031741101 569457190 /nfs/dbraw/zinc/45/71/90/569457190.db2.gz GIHZXSITMGLTLA-SFHVURJKSA-N 0 0 442.859 2.823 50 0 IFAARN COc1ccc(CN2CC(=O)N(c3ccc(C)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000031773747 569457272 /nfs/dbraw/zinc/45/72/72/569457272.db2.gz PKQHNPZYQOMASI-VQTJNVASSA-N 0 0 434.945 2.671 50 0 IFAARN COc1ccc(OC)c2c1CN(CN1C(=O)C(=O)c3c1cccc3Br)C[C@@H]2O ZINC000031783590 569457359 /nfs/dbraw/zinc/45/73/59/569457359.db2.gz FQXRYNLEQYYZRT-AWEZNQCLSA-N 0 0 447.285 2.502 50 0 IFAARN C[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)c1nc(N)nc(N(C)C)n1 ZINC000031804986 569457526 /nfs/dbraw/zinc/45/75/26/569457526.db2.gz GIUUPJMFIKHCKX-SECBINFHSA-N 0 0 443.924 2.861 50 0 IFAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1cccnc1N1CCOCC1 ZINC000032017515 569458833 /nfs/dbraw/zinc/45/88/33/569458833.db2.gz QZZKPHUKRLERFI-UHFFFAOYSA-N 0 0 444.944 2.833 50 0 IFAARN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000032094960 569459841 /nfs/dbraw/zinc/45/98/41/569459841.db2.gz OPGLOLYUTULGIH-ZHRRBRCNSA-N 0 0 437.496 2.590 50 0 IFAARN Cc1cc(C)c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1C ZINC000059248387 569460555 /nfs/dbraw/zinc/46/05/55/569460555.db2.gz ZSDLLPXVZFWYSI-QFIPXVFZSA-N 0 0 428.510 2.665 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@@H]3C=CC=NN23)cc1 ZINC000229679574 569461335 /nfs/dbraw/zinc/46/13/35/569461335.db2.gz LETHFPKVHTZPFC-NMLBUPMWSA-N 0 0 435.867 2.946 50 0 IFAARN C[C@H]1Cn2c3c(nc2N(C2CCCCC2)C1)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000004249352 569461336 /nfs/dbraw/zinc/46/13/36/569461336.db2.gz BRUJHRLMIRZXIG-OAHLLOKOSA-N 0 0 425.508 2.873 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C ZINC000008025595 569462058 /nfs/dbraw/zinc/46/20/58/569462058.db2.gz WTLWRIRPALTTLI-UHFFFAOYSA-N 0 0 429.586 2.937 50 0 IFAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000008025709 569462087 /nfs/dbraw/zinc/46/20/87/569462087.db2.gz YANIVSKPLRBUGX-KRWDZBQOSA-N 0 0 427.570 2.566 50 0 IFAARN CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000008308399 569462532 /nfs/dbraw/zinc/46/25/32/569462532.db2.gz MNJXJHIAUKZVPT-UHFFFAOYSA-N 0 0 427.570 2.778 50 0 IFAARN O=c1c2nnn(Cc3ccc(Cl)cc3)c2ncn1Cc1nc(-c2ccc(F)cc2)no1 ZINC000038486750 569462776 /nfs/dbraw/zinc/46/27/76/569462776.db2.gz YDNHJJOMGHAJFN-UHFFFAOYSA-N 0 0 437.822 2.927 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)c1 ZINC000038486456 569462811 /nfs/dbraw/zinc/46/28/11/569462811.db2.gz OTQQRPUCFFXMJC-UHFFFAOYSA-N 0 0 439.497 2.640 50 0 IFAARN O=C(Cn1nc2c3cc(-c4ccc(Cl)cc4)nn3ccn2c1=O)NCc1ccccc1 ZINC000038487401 569462872 /nfs/dbraw/zinc/46/28/72/569462872.db2.gz SCLUOUCQKMSSID-UHFFFAOYSA-N 0 0 432.871 2.781 50 0 IFAARN COc1ccc(-c2nc(C)cc(=O)n2CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000067198507 569464474 /nfs/dbraw/zinc/46/44/74/569464474.db2.gz FFBBNXXSCWTFAI-UHFFFAOYSA-N 0 0 437.496 2.603 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204886 569464490 /nfs/dbraw/zinc/46/44/90/569464490.db2.gz AWVZXLSCUMSVIS-NRFANRHFSA-N 0 0 442.466 2.568 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204883 569464502 /nfs/dbraw/zinc/46/45/02/569464502.db2.gz AWVZXLSCUMSVIS-OAQYLSRUSA-N 0 0 442.466 2.568 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204955 569464566 /nfs/dbraw/zinc/46/45/66/569464566.db2.gz XGDJGRJGSRPMHZ-QFIPXVFZSA-N 0 0 438.503 2.737 50 0 IFAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2)c1=O ZINC000067205337 569464622 /nfs/dbraw/zinc/46/46/22/569464622.db2.gz ODYJQMDXJYIDLL-UHFFFAOYSA-N 0 0 435.505 2.598 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204958 569464627 /nfs/dbraw/zinc/46/46/27/569464627.db2.gz XGDJGRJGSRPMHZ-JOCHJYFZSA-N 0 0 438.503 2.737 50 0 IFAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)NC2CCCCC2)c1=O ZINC000067205343 569464630 /nfs/dbraw/zinc/46/46/30/569464630.db2.gz TUMNJECAHUFCPI-UHFFFAOYSA-N 0 0 427.526 2.731 50 0 IFAARN O=C(CNC(=O)c1ccccc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000067205954 569464663 /nfs/dbraw/zinc/46/46/63/569464663.db2.gz CGIVROWYCCQHOB-UHFFFAOYSA-N 0 0 434.452 2.601 50 0 IFAARN CCCN(CCC)C(=O)Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O ZINC000067208237 569464695 /nfs/dbraw/zinc/46/46/95/569464695.db2.gz XVAYPLAJMSUNAK-UHFFFAOYSA-N 0 0 432.322 2.969 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 ZINC000038632331 569465042 /nfs/dbraw/zinc/46/50/42/569465042.db2.gz WFRZFEFSDYNADN-OAQYLSRUSA-N 0 0 429.476 2.791 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 ZINC000038632329 569465049 /nfs/dbraw/zinc/46/50/49/569465049.db2.gz WFRZFEFSDYNADN-NRFANRHFSA-N 0 0 429.476 2.791 50 0 IFAARN CSc1ncccc1C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1 ZINC000038633254 569465052 /nfs/dbraw/zinc/46/50/52/569465052.db2.gz VKTBZPOCWMRUAQ-UHFFFAOYSA-N 0 0 447.582 2.765 50 0 IFAARN COC(=O)C1=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@]2(c2ccc(C)cc2)NN1 ZINC000008452321 569465109 /nfs/dbraw/zinc/46/51/09/569465109.db2.gz DEMYIHZNHIUYLU-MGPUTAFESA-N 0 0 432.263 2.819 50 0 IFAARN COc1cccc(CNC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)c1 ZINC000067225781 569465193 /nfs/dbraw/zinc/46/51/93/569465193.db2.gz HOPJLEKRMLDTRJ-UHFFFAOYSA-N 0 0 449.536 2.814 50 0 IFAARN CN(Cc1ccccc1)c1nc2ncn(CC(=O)NCc3ccc(F)cc3)c(=O)c2s1 ZINC000067225755 569465241 /nfs/dbraw/zinc/46/52/41/569465241.db2.gz LPNKQICALWSNSH-UHFFFAOYSA-N 0 0 437.500 2.945 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)N4CCCc5ccccc54)c(=O)n3c(C)n2)cc1 ZINC000067226518 569465290 /nfs/dbraw/zinc/46/52/90/569465290.db2.gz IPCLMSYDNLUWJT-UHFFFAOYSA-N 0 0 429.480 2.854 50 0 IFAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N1CCC(C(=O)OCC)CC1 ZINC000067238521 569465632 /nfs/dbraw/zinc/46/56/32/569465632.db2.gz ZKGSQDWCNCXHDN-UHFFFAOYSA-N 0 0 434.562 2.727 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2[C@H](C)CC)CC1 ZINC000067239288 569465708 /nfs/dbraw/zinc/46/57/08/569465708.db2.gz XCZMXNMQJNUMKC-CQSZACIVSA-N 0 0 449.577 2.833 50 0 IFAARN CCOc1ccccc1-n1ccn(CC(=O)Nc2cc(Cl)ccc2OC)c(=O)c1=O ZINC000067256787 569466101 /nfs/dbraw/zinc/46/61/01/569466101.db2.gz PVGDKQUHPGXBJY-UHFFFAOYSA-N 0 0 429.860 2.699 50 0 IFAARN O=c1nc2nc(NCc3ccc(F)cc3F)[nH]cc-2c(=O)n1-c1ccc2c(c1)OCO2 ZINC000067261563 569466537 /nfs/dbraw/zinc/46/65/37/569466537.db2.gz FNSHFFBSOXOUJC-UHFFFAOYSA-N 0 0 425.351 2.500 50 0 IFAARN O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000038695710 569466757 /nfs/dbraw/zinc/46/67/57/569466757.db2.gz HEULHYDDIWNFAW-CQSZACIVSA-N 0 0 433.917 2.872 50 0 IFAARN Cc1ccc(Nc2n[nH]nc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000067284524 569466820 /nfs/dbraw/zinc/46/68/20/569466820.db2.gz PVWOUGGZSPSXRA-UHFFFAOYSA-N 0 0 434.500 2.852 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000067287310 569467233 /nfs/dbraw/zinc/46/72/33/569467233.db2.gz LURVSZISXTYPFL-KUHUBIRLSA-N 0 0 449.935 2.786 50 0 IFAARN CSc1ccc([C@H]2NC(=O)N(CC(=O)N3CCc4ccccc43)C3=C2C(=O)OC3)cc1 ZINC000067288998 569467461 /nfs/dbraw/zinc/46/74/61/569467461.db2.gz FSMNGZBTSPRGAR-OAQYLSRUSA-N 0 0 435.505 2.875 50 0 IFAARN COc1cc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(F)cc2)cc(OC)c1 ZINC000067300959 569468258 /nfs/dbraw/zinc/46/82/58/569468258.db2.gz MSKJGLPFFJXQFV-UHFFFAOYSA-N 0 0 441.459 2.549 50 0 IFAARN Cc1nc(-c2cccc(F)c2)n(CC(=O)NCCc2ccc(Cl)cc2)c(=O)c1CCO ZINC000067316813 569468429 /nfs/dbraw/zinc/46/84/29/569468429.db2.gz PDEOFQFZCMYEPF-UHFFFAOYSA-N 0 0 443.906 2.905 50 0 IFAARN COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(OC)c(OC)c3)c2C)cc1 ZINC000067322873 569468728 /nfs/dbraw/zinc/46/87/28/569468728.db2.gz HEHIZIUKBGJBHR-UHFFFAOYSA-N 0 0 425.445 2.503 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)cc1 ZINC000067322779 569468734 /nfs/dbraw/zinc/46/87/34/569468734.db2.gz VGNNVPLGVBFQEY-UHFFFAOYSA-N 0 0 429.383 2.542 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3OC)c2C)cc1 ZINC000067323170 569468754 /nfs/dbraw/zinc/46/87/54/569468754.db2.gz WIFBNVXNELCXGC-UHFFFAOYSA-N 0 0 437.456 2.663 50 0 IFAARN Cc1cnc2n(c1=O)[C@H](CC(=O)OCc1cc(-c3ccc4c(c3)OCO4)on1)CS2 ZINC000038768193 569469013 /nfs/dbraw/zinc/46/90/13/569469013.db2.gz KPTNQTQHWSHECG-CQSZACIVSA-N 0 0 427.438 2.716 50 0 IFAARN O=C(c1ccccc1Cl)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000008599640 569469342 /nfs/dbraw/zinc/46/93/42/569469342.db2.gz ZKXSKARLNDKLLG-UHFFFAOYSA-N 0 0 443.906 2.955 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C1=O ZINC000008644297 569469632 /nfs/dbraw/zinc/46/96/32/569469632.db2.gz WLOPKGWPHOEJSA-NRFANRHFSA-N 0 0 429.498 2.947 50 0 IFAARN COc1ccc(Br)cc1CN(C)CC(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000008705901 569470399 /nfs/dbraw/zinc/47/03/99/569470399.db2.gz NTNOWTCXBFHAGT-UHFFFAOYSA-N 0 0 438.297 2.784 50 0 IFAARN CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2cccc(Br)c2)o1 ZINC000008707000 569470546 /nfs/dbraw/zinc/47/05/46/569470546.db2.gz DGRZEXAYEPISTL-UHFFFAOYSA-N 0 0 441.351 2.964 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000008720166 569471509 /nfs/dbraw/zinc/47/15/09/569471509.db2.gz RGWZXQZHAFRFHM-AVRWGWEMSA-N 0 0 445.523 2.993 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 ZINC000008720532 569471549 /nfs/dbraw/zinc/47/15/49/569471549.db2.gz NMQBIZNOZOJTPW-UHFFFAOYSA-N 0 0 425.510 2.633 50 0 IFAARN Cc1csc(NC(=O)CSc2nnc(N3CCOCC3)n2-c2ccccc2C)n1 ZINC000008721360 569471679 /nfs/dbraw/zinc/47/16/79/569471679.db2.gz PKOALSVMNGINHA-UHFFFAOYSA-N 0 0 430.559 2.908 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008723506 569471877 /nfs/dbraw/zinc/47/18/77/569471877.db2.gz WFKFFHNLSQPBAJ-ZDUSSCGKSA-N 0 0 431.539 2.972 50 0 IFAARN NC(=O)c1ccsc1NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000008724755 569472056 /nfs/dbraw/zinc/47/20/56/569472056.db2.gz CNUJUPFENWYQHY-UHFFFAOYSA-N 0 0 442.570 2.754 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C1 ZINC000008724951 569472073 /nfs/dbraw/zinc/47/20/73/569472073.db2.gz GLJXLQLEJALZBK-HUUCEWRRSA-N 0 0 429.952 2.613 50 0 IFAARN CNC(=O)CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000008725742 569472246 /nfs/dbraw/zinc/47/22/46/569472246.db2.gz CUIODROEVZWUOD-UHFFFAOYSA-N 0 0 430.313 2.612 50 0 IFAARN CNC(=O)c1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000008726394 569472299 /nfs/dbraw/zinc/47/22/99/569472299.db2.gz QVUCKGGEXGOYRT-UHFFFAOYSA-N 0 0 434.496 2.640 50 0 IFAARN Cc1csc(CC(=O)N2CCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)n1 ZINC000008728596 569472421 /nfs/dbraw/zinc/47/24/21/569472421.db2.gz QGUHXSUTNVTGTM-UHFFFAOYSA-N 0 0 438.509 2.824 50 0 IFAARN COC(=O)c1c(C)c2ccccc2nc1CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000008729027 569472462 /nfs/dbraw/zinc/47/24/62/569472462.db2.gz BAEMLRHCBHHNHC-CYBMUJFWSA-N 0 0 425.510 2.928 50 0 IFAARN CN(CCCC(=O)Nc1cccc(C(=O)NC2CC2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000008735782 569472653 /nfs/dbraw/zinc/47/26/53/569472653.db2.gz LHJDGJGTQPKXJW-UHFFFAOYSA-N 0 0 433.505 2.757 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2Br)cc1 ZINC000008748926 569473207 /nfs/dbraw/zinc/47/32/07/569473207.db2.gz XVBGMQLBINQLET-ZDUSSCGKSA-N 0 0 441.347 2.956 50 0 IFAARN Nc1cc(=O)[nH]c(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1 ZINC000008749012 569473217 /nfs/dbraw/zinc/47/32/17/569473217.db2.gz VELVNRNLRJQXPH-UHFFFAOYSA-N 0 0 430.511 2.510 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccccc2Br)cc1 ZINC000008748931 569473238 /nfs/dbraw/zinc/47/32/38/569473238.db2.gz XVBGMQLBINQLET-CYBMUJFWSA-N 0 0 441.347 2.956 50 0 IFAARN CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)C1=O ZINC000008752072 569473554 /nfs/dbraw/zinc/47/35/54/569473554.db2.gz KDSOKXDQDDTZKQ-APBUJDDRSA-N 0 0 449.558 2.767 50 0 IFAARN Cc1csc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 ZINC000008754415 569473810 /nfs/dbraw/zinc/47/38/10/569473810.db2.gz BRVKHTCYQCTKEL-UHFFFAOYSA-N 0 0 437.612 2.565 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1=O ZINC000008754749 569473844 /nfs/dbraw/zinc/47/38/44/569473844.db2.gz UQIUBLSZUPKZOD-RDPSFJRHSA-N 0 0 437.496 2.833 50 0 IFAARN COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000008764517 569474601 /nfs/dbraw/zinc/47/46/01/569474601.db2.gz VEPLTCGQKNHVBS-AWEZNQCLSA-N 0 0 443.500 2.816 50 0 IFAARN CC(=O)N[C@@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1cccc2ccccc21 ZINC000008765126 569474685 /nfs/dbraw/zinc/47/46/85/569474685.db2.gz QPPZFMUEXZZDBD-DJBJKVAOSA-N 0 0 435.476 2.923 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccncc1 ZINC000008765485 569474725 /nfs/dbraw/zinc/47/47/25/569474725.db2.gz KNVFGTPIWAXLLM-UHFFFAOYSA-N 0 0 441.491 2.790 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 ZINC000008772356 569475303 /nfs/dbraw/zinc/47/53/03/569475303.db2.gz WWIVNMYYXVGIMV-CPJLOUKISA-N 0 0 433.508 2.972 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(CNC(=O)NC(C)C)cc2)cc1 ZINC000008777271 569475384 /nfs/dbraw/zinc/47/53/84/569475384.db2.gz VJZYWKCZAMOSOX-UHFFFAOYSA-N 0 0 426.473 2.648 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCn1nc(C)cc1C ZINC000008778339 569475424 /nfs/dbraw/zinc/47/54/24/569475424.db2.gz TZPBLWDXTVPNPT-UHFFFAOYSA-N 0 0 448.589 2.893 50 0 IFAARN O=C(CSc1ccc2ccccc2c1)OCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000008778242 569475439 /nfs/dbraw/zinc/47/54/39/569475439.db2.gz ZAVVMTUFBRGVRN-GOSISDBHSA-N 0 0 433.551 2.653 50 0 IFAARN COCCCNC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008788769 569475854 /nfs/dbraw/zinc/47/58/54/569475854.db2.gz YKWPKKFJCDNUIB-CYFREDJKSA-N 0 0 440.544 2.771 50 0 IFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCO)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008789382 569475929 /nfs/dbraw/zinc/47/59/29/569475929.db2.gz HDIMTXPJVONEQX-SFHVURJKSA-N 0 0 442.512 2.657 50 0 IFAARN CCn1nc(C(=O)O[C@H](C)C(=O)Nc2cc(OC)ccc2OC)c2ccccc2c1=O ZINC000008806687 569476441 /nfs/dbraw/zinc/47/64/41/569476441.db2.gz QBASMCPSKBCGIP-CYBMUJFWSA-N 0 0 425.441 2.618 50 0 IFAARN Cc1sc2nc([C@@H](C)OC(=O)CCNS(=O)(=O)c3ccccc3)[nH]c(=O)c2c1C ZINC000008825330 569477351 /nfs/dbraw/zinc/47/73/51/569477351.db2.gz NRTIHPLAZJHZPQ-GFCCVEGCSA-N 0 0 435.527 2.574 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CSc2ccccc2)c1 ZINC000008825912 569477480 /nfs/dbraw/zinc/47/74/80/569477480.db2.gz AAZUFGFFGUKTNR-UHFFFAOYSA-N 0 0 442.946 2.864 50 0 IFAARN COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000008834616 569477963 /nfs/dbraw/zinc/47/79/63/569477963.db2.gz IGWQJQHKWBYSFN-UHFFFAOYSA-N 0 0 428.422 2.769 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cccc(Br)c1 ZINC000008848952 569479194 /nfs/dbraw/zinc/47/91/94/569479194.db2.gz MHJXYHNMJXEQDG-UHFFFAOYSA-N 0 0 443.319 2.726 50 0 IFAARN CCCCN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1c1ccccc1OC ZINC000008853227 569479573 /nfs/dbraw/zinc/47/95/73/569479573.db2.gz YNIZTRQYJKWCOQ-REWPJTCUSA-N 0 0 441.572 2.856 50 0 IFAARN Cc1cccc(NC(=O)CCCSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 ZINC000008862452 569480200 /nfs/dbraw/zinc/48/02/00/569480200.db2.gz SPKYACFOWANTKH-UHFFFAOYSA-N 0 0 435.571 2.922 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)Nc2nccs2)C(C)C)c1 ZINC000008878802 569481330 /nfs/dbraw/zinc/48/13/30/569481330.db2.gz NVCJVEWKSWBJJO-INIZCTEOSA-N 0 0 438.575 2.567 50 0 IFAARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)[C@H]4C2=O)cc1 ZINC000008879493 569481399 /nfs/dbraw/zinc/48/13/99/569481399.db2.gz NKGOUZCCDHHQKG-ZGDJDIHISA-N 0 0 436.464 2.638 50 0 IFAARN COc1ccc(Br)cc1C(=O)CCC(=O)OCC(=O)Nc1cc(C)on1 ZINC000039514717 569481630 /nfs/dbraw/zinc/48/16/30/569481630.db2.gz GJKVPDIQYCOWJJ-UHFFFAOYSA-N 0 0 425.235 2.899 50 0 IFAARN O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1ccccc1Br ZINC000039477161 569481685 /nfs/dbraw/zinc/48/16/85/569481685.db2.gz KWGPFGYBOMHPCJ-UHFFFAOYSA-N 0 0 431.242 2.898 50 0 IFAARN COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 ZINC000039655799 569481826 /nfs/dbraw/zinc/48/18/26/569481826.db2.gz RIEDCMYBZVJIMO-HXUWFJFHSA-N 0 0 440.452 2.506 50 0 IFAARN COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCCn1ccnc1)CO3 ZINC000039950524 569482090 /nfs/dbraw/zinc/48/20/90/569482090.db2.gz NGYHOOIKFZUCHN-UHFFFAOYSA-N 0 0 431.876 2.909 50 0 IFAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3F)o2)cc1 ZINC000039983780 569482301 /nfs/dbraw/zinc/48/23/01/569482301.db2.gz VAWPTLSCYRZNAB-CHWSQXEVSA-N 0 0 449.460 2.856 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N(C)Cc1ccsc1 ZINC000039990657 569482351 /nfs/dbraw/zinc/48/23/51/569482351.db2.gz PEYYYNQPTCKPEY-JOCHJYFZSA-N 0 0 437.569 2.682 50 0 IFAARN CS(=O)(=O)c1ccccc1C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000039995621 569482359 /nfs/dbraw/zinc/48/23/59/569482359.db2.gz UAUPHMGCIJICKP-UHFFFAOYSA-N 0 0 427.448 2.856 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000039996265 569482360 /nfs/dbraw/zinc/48/23/60/569482360.db2.gz YZIHPHTVRPWWAP-OLZOCXBDSA-N 0 0 444.431 2.943 50 0 IFAARN COC(=O)c1occc1COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000040017786 569482640 /nfs/dbraw/zinc/48/26/40/569482640.db2.gz VSMGVUMTTFEGRZ-UHFFFAOYSA-N 0 0 447.509 2.699 50 0 IFAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCC(=O)Nc2ccc(F)cc2)C1=O ZINC000008887283 569483200 /nfs/dbraw/zinc/48/32/00/569483200.db2.gz XGKZQJNTXVMVRA-DEOSSOPVSA-N 0 0 448.454 2.501 50 0 IFAARN COc1ccc(NC(=O)c2nnc(CN3CCN(c4ccccc4O)CC3)s2)cc1 ZINC000040052239 569484535 /nfs/dbraw/zinc/48/45/35/569484535.db2.gz UIKUESOSYJNZJJ-UHFFFAOYSA-N 0 0 425.514 2.827 50 0 IFAARN CCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000040057557 569484593 /nfs/dbraw/zinc/48/45/93/569484593.db2.gz OCMUNPVXHYOCLP-UHFFFAOYSA-N 0 0 429.498 2.632 50 0 IFAARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)C1(c2cccc(Cl)c2)CC1 ZINC000040059877 569484791 /nfs/dbraw/zinc/48/47/91/569484791.db2.gz UVPPSFUFJUGMPN-UHFFFAOYSA-N 0 0 434.945 2.709 50 0 IFAARN COCC(=O)Nc1ccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1 ZINC000040059984 569484831 /nfs/dbraw/zinc/48/48/31/569484831.db2.gz QKCKQKQCSXXLKP-UHFFFAOYSA-N 0 0 435.274 2.986 50 0 IFAARN COc1ccc2c(c1)sc1ncc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=O)n21 ZINC000008911950 569484986 /nfs/dbraw/zinc/48/49/86/569484986.db2.gz QIADEHCUNVZSEI-UHFFFAOYSA-N 0 0 439.493 2.908 50 0 IFAARN CCN(CC)CCCNc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000008912341 569485022 /nfs/dbraw/zinc/48/50/22/569485022.db2.gz QHRSQMUADOYAII-UHFFFAOYSA-N 0 0 445.632 2.832 50 0 IFAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)s1 ZINC000008912673 569485074 /nfs/dbraw/zinc/48/50/74/569485074.db2.gz JHONMELRRSHGCT-UHFFFAOYSA-N 0 0 431.562 2.528 50 0 IFAARN CC(C)NS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1 ZINC000040069402 569485336 /nfs/dbraw/zinc/48/53/36/569485336.db2.gz GDFFOBQQMJSEMB-KRWDZBQOSA-N 0 0 449.598 2.603 50 0 IFAARN CCOc1ccccc1C(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008915742 569485625 /nfs/dbraw/zinc/48/56/25/569485625.db2.gz QSRZEKUXGYTTPI-QGZVFWFLSA-N 0 0 433.526 2.932 50 0 IFAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)OCC(=O)c3ccc(F)c(F)c3)cc(C(C)C)nc21 ZINC000040072547 569485946 /nfs/dbraw/zinc/48/59/46/569485946.db2.gz HEZVSSXFGNLGHA-UHFFFAOYSA-N 0 0 445.422 2.936 50 0 IFAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008917274 569485988 /nfs/dbraw/zinc/48/59/88/569485988.db2.gz PQIFEDJTIOHOTE-FOIQADDNSA-N 0 0 439.489 2.924 50 0 IFAARN CC(C)c1c(C(=O)OCC(=O)NC(=O)NCCc2cccs2)cnn1-c1ccccn1 ZINC000040072815 569486029 /nfs/dbraw/zinc/48/60/29/569486029.db2.gz OUBNRJIVADTTKG-UHFFFAOYSA-N 0 0 441.513 2.678 50 0 IFAARN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000040087759 569486743 /nfs/dbraw/zinc/48/67/43/569486743.db2.gz OTMKCTMQIBBWTQ-ZDUSSCGKSA-N 0 0 425.507 2.669 50 0 IFAARN C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000040094776 569487508 /nfs/dbraw/zinc/48/75/08/569487508.db2.gz NLRPAGAFRLNOFH-MRXNPFEDSA-N 0 0 427.464 2.921 50 0 IFAARN Cc1csc2nc(C)c(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c(=O)n12 ZINC000008931836 569487596 /nfs/dbraw/zinc/48/75/96/569487596.db2.gz PQLQWFBFTWGJMH-UHFFFAOYSA-N 0 0 446.554 2.800 50 0 IFAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)NC[C@@H]1CCCO1 ZINC000008933358 569487799 /nfs/dbraw/zinc/48/77/99/569487799.db2.gz YGTKPJAGRBKYDZ-SFHVURJKSA-N 0 0 434.471 2.834 50 0 IFAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nn4c(nc(C)cc4=O)s3)C2)cc1 ZINC000008933805 569487868 /nfs/dbraw/zinc/48/78/68/569487868.db2.gz NFUFOAWIZMYYAW-QGZVFWFLSA-N 0 0 441.557 2.781 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 ZINC000008936947 569488098 /nfs/dbraw/zinc/48/80/98/569488098.db2.gz ZLMNOZSBTRANAG-VLIAUNLRSA-N 0 0 448.466 2.976 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000008936955 569488113 /nfs/dbraw/zinc/48/81/13/569488113.db2.gz BFLQCBGLACWIQK-QGZVFWFLSA-N 0 0 432.498 2.558 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000008936949 569488116 /nfs/dbraw/zinc/48/81/16/569488116.db2.gz BFLQCBGLACWIQK-KRWDZBQOSA-N 0 0 432.498 2.558 50 0 IFAARN O=C(Nc1cc2c(cc1Cl)OCCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000040104326 569488145 /nfs/dbraw/zinc/48/81/45/569488145.db2.gz XWTHAFBTLQSFRN-UHFFFAOYSA-N 0 0 437.905 2.650 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 ZINC000040106597 569488452 /nfs/dbraw/zinc/48/84/52/569488452.db2.gz VQZYQIFQEXKTJR-UHFFFAOYSA-N 0 0 442.497 2.971 50 0 IFAARN C[C@@]1(c2cccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)c2)NC(=O)NC1=O ZINC000040111143 569488781 /nfs/dbraw/zinc/48/87/81/569488781.db2.gz FQPOZEXBEMIQRG-NRFANRHFSA-N 0 0 426.860 2.774 50 0 IFAARN C[C@]1(c2cccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)c2)NC(=O)NC1=O ZINC000040111145 569488800 /nfs/dbraw/zinc/48/88/00/569488800.db2.gz FQPOZEXBEMIQRG-OAQYLSRUSA-N 0 0 426.860 2.774 50 0 IFAARN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000008944144 569488923 /nfs/dbraw/zinc/48/89/23/569488923.db2.gz GOMKVFLSDQZCGE-UHFFFAOYSA-N 0 0 430.508 2.848 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)n(C)c1 ZINC000040112441 569488960 /nfs/dbraw/zinc/48/89/60/569488960.db2.gz QCVNXQOWBJWVPQ-UHFFFAOYSA-N 0 0 428.514 2.667 50 0 IFAARN CCn1c(=O)c2cc(Br)ccc2nc1SCC(=O)NC[C@@H]1CCCO1 ZINC000008946037 569489086 /nfs/dbraw/zinc/48/90/86/569489086.db2.gz ZEYYGXDSICIVOS-LBPRGKRZSA-N 0 0 426.336 2.566 50 0 IFAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(NC(=O)Cn4cncn4)c3)c12 ZINC000040118866 569489357 /nfs/dbraw/zinc/48/93/57/569489357.db2.gz JUMWKMJUYVHHQF-UHFFFAOYSA-N 0 0 448.462 2.776 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000040120048 569489416 /nfs/dbraw/zinc/48/94/16/569489416.db2.gz YRQOHYOZADKXLU-HZPDHXFCSA-N 0 0 426.435 2.856 50 0 IFAARN O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1cccnc1Oc1ccccc1 ZINC000040121150 569489522 /nfs/dbraw/zinc/48/95/22/569489522.db2.gz DPIPBZBHULRPOI-UHFFFAOYSA-N 0 0 433.516 2.998 50 0 IFAARN O=C(NCc1ccc(N2CCCCC2)nc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000040121462 569489574 /nfs/dbraw/zinc/48/95/74/569489574.db2.gz LREUPOPXFFIVRH-NRFANRHFSA-N 0 0 442.585 2.932 50 0 IFAARN CCCN(CC(=O)NN1C(=O)N[C@](C)(CC)C1=O)[C@@H](C)c1ccccc1Br ZINC000040122953 569489669 /nfs/dbraw/zinc/48/96/69/569489669.db2.gz BIZRHAWLQIZJST-ORAYPTAESA-N 0 0 439.354 2.974 50 0 IFAARN CCOc1cccc2cc(C(=O)NCCn3nc(-c4cccs4)ccc3=O)c(=O)oc21 ZINC000008954865 569490091 /nfs/dbraw/zinc/49/00/91/569490091.db2.gz VFLWHAIZWFKUHC-UHFFFAOYSA-N 0 0 437.477 2.907 50 0 IFAARN O=C(CCNC(=O)NC1CCCCC1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000040134205 569490485 /nfs/dbraw/zinc/49/04/85/569490485.db2.gz VCWQVVFDEPMMIF-UHFFFAOYSA-N 0 0 436.516 2.505 50 0 IFAARN CC(=O)N[C@H](CC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1 ZINC000008965980 569491661 /nfs/dbraw/zinc/49/16/61/569491661.db2.gz PGFIWBJYRQGZIH-OAQYLSRUSA-N 0 0 441.509 2.964 50 0 IFAARN COc1cc(Br)c(CCNC(=O)[C@H](C)NC(=O)C2CCCC2)cc1OC ZINC000040144475 569492057 /nfs/dbraw/zinc/49/20/57/569492057.db2.gz ACWLTVPBWHJIEZ-LBPRGKRZSA-N 0 0 427.339 2.820 50 0 IFAARN C[C@@H]1CN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)o3)cc2F)C[C@@H](C)O1 ZINC000040145488 569492162 /nfs/dbraw/zinc/49/21/62/569492162.db2.gz NHGZRTHVBQWCPJ-CHWSQXEVSA-N 0 0 425.482 2.535 50 0 IFAARN CCC(C)(C)NS(=O)(=O)c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1 ZINC000040149430 569492475 /nfs/dbraw/zinc/49/24/75/569492475.db2.gz SXGSNZHVAQDUSS-UHFFFAOYSA-N 0 0 446.573 2.599 50 0 IFAARN C[C@H](C(=O)OCC(=O)N(C)Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000040150466 569493156 /nfs/dbraw/zinc/49/31/56/569493156.db2.gz WLHDXRDTHSIBPD-GFCCVEGCSA-N 0 0 445.871 2.982 50 0 IFAARN CCC(=O)c1ccc(OCC(=O)Nc2ccc(F)c(N3CCS(=O)(=O)CC3)c2)cc1 ZINC000040151768 569493337 /nfs/dbraw/zinc/49/33/37/569493337.db2.gz FDIZVEMSWCIXDJ-UHFFFAOYSA-N 0 0 434.489 2.671 50 0 IFAARN COc1ccc(CN2CCN(C(=O)CCCOCC(F)(F)F)CC2)c(OC)c1OC ZINC000040153050 569493526 /nfs/dbraw/zinc/49/35/26/569493526.db2.gz YXAXLXRMOJKRGD-UHFFFAOYSA-N 0 0 434.455 2.716 50 0 IFAARN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000040154303 569493730 /nfs/dbraw/zinc/49/37/30/569493730.db2.gz CIGJPHDZGFYAIO-HNNXBMFYSA-N 0 0 439.534 2.602 50 0 IFAARN Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000040155208 569493887 /nfs/dbraw/zinc/49/38/87/569493887.db2.gz WVJXZNNPOHOJEN-UHFFFAOYSA-N 0 0 426.454 2.921 50 0 IFAARN Cc1noc([C@@H]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)C2)n1 ZINC000040156236 569494088 /nfs/dbraw/zinc/49/40/88/569494088.db2.gz VTQVEILARUYBTG-LJQANCHMSA-N 0 0 446.573 2.802 50 0 IFAARN CC(C)(C)OC(=O)N1[C@@H](CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)COC1(C)C ZINC000040157831 569494385 /nfs/dbraw/zinc/49/43/85/569494385.db2.gz RKVIBYRGJTUSHT-QWHCGFSZSA-N 0 0 447.579 2.511 50 0 IFAARN Cc1cccc(OCCNC(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000040158450 569494577 /nfs/dbraw/zinc/49/45/77/569494577.db2.gz GCNKASPOLZVINI-UHFFFAOYSA-N 0 0 428.508 2.551 50 0 IFAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000040159117 569494644 /nfs/dbraw/zinc/49/46/44/569494644.db2.gz AYXMUKNHXZBMML-CHWSQXEVSA-N 0 0 440.905 2.586 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000040161254 569495120 /nfs/dbraw/zinc/49/51/20/569495120.db2.gz FHJMPBOOGWTJPU-MOPGFXCFSA-N 0 0 447.576 2.658 50 0 IFAARN Nc1[nH]c(=O)[nH]c(=O)c1-c1c(-c2ccc(C3CCCCC3)cc2)[nH]c2[nH]c(=O)[nH]c(=O)c21 ZINC000008992096 569495325 /nfs/dbraw/zinc/49/53/25/569495325.db2.gz RYIIHUBHCGHERW-UHFFFAOYSA-N 0 0 434.456 2.710 50 0 IFAARN COc1ccc(Cn2c(C)cn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1 ZINC000008996089 569495813 /nfs/dbraw/zinc/49/58/13/569495813.db2.gz TWQCBRRPIWGUIQ-UHFFFAOYSA-N 0 0 447.470 2.702 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2cccnc2c(=O)n(Cc2cccnc2)c1=O ZINC000009001263 569495937 /nfs/dbraw/zinc/49/59/37/569495937.db2.gz ISTPSMQQNKRZHR-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN CCc1cccc(CC)c1NC(=O)Cn1c2cccnc2c(=O)n(Cc2ccccn2)c1=O ZINC000009000991 569495973 /nfs/dbraw/zinc/49/59/73/569495973.db2.gz JUHNTKIFPISFNV-UHFFFAOYSA-N 0 0 443.507 2.765 50 0 IFAARN O=S(=O)(Cc1ccc(F)cc1)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1 ZINC000009005325 569496144 /nfs/dbraw/zinc/49/61/44/569496144.db2.gz IDMWGOQJSGXIJY-FQEVSTJZSA-N 0 0 434.514 2.855 50 0 IFAARN C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 ZINC000009012519 569496566 /nfs/dbraw/zinc/49/65/66/569496566.db2.gz ZITLIZLFZGDYLH-CQSZACIVSA-N 0 0 436.917 2.529 50 0 IFAARN COc1cccc(N2C[C@H](CNC(=O)c3ccnc(OCC4CCOCC4)c3)OC2=O)c1 ZINC000244950820 569496573 /nfs/dbraw/zinc/49/65/73/569496573.db2.gz FNJIUPAOIMROIF-FQEVSTJZSA-N 0 0 441.484 2.651 50 0 IFAARN C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000009012604 569496587 /nfs/dbraw/zinc/49/65/87/569496587.db2.gz QASJTJYSEODCGD-NSHDSACASA-N 0 0 446.312 2.627 50 0 IFAARN O=C(NCCn1ncc2c1ncn(Cc1cccc(F)c1)c2=O)c1cc2ccccc2o1 ZINC000009016732 569496849 /nfs/dbraw/zinc/49/68/49/569496849.db2.gz DKQNPKVKYJWSDR-UHFFFAOYSA-N 0 0 431.427 2.957 50 0 IFAARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000009019122 569496861 /nfs/dbraw/zinc/49/68/61/569496861.db2.gz WZUOVBDNXJGHMS-TVFCKZIOSA-N 0 0 427.382 2.581 50 0 IFAARN COc1ccc(CC(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)cc1OC ZINC000245020844 569496966 /nfs/dbraw/zinc/49/69/66/569496966.db2.gz MJZDRWYNLLBDEP-UHFFFAOYSA-N 0 0 437.496 2.706 50 0 IFAARN O=C1C[C@@H](CNS(=O)(=O)c2ccc(Br)cc2)CN1Cc1ccc(F)cc1 ZINC000009038189 569497374 /nfs/dbraw/zinc/49/73/74/569497374.db2.gz JFZAUNFFMVSGIT-AWEZNQCLSA-N 0 0 441.322 2.915 50 0 IFAARN Cc1cc(N2C[C@@H](C(=O)N3CCC[C@H](C4OCCO4)C3)CC2=O)ccc1Br ZINC000069232387 569497787 /nfs/dbraw/zinc/49/77/87/569497787.db2.gz LYXIZWWAUXWTRB-GJZGRUSLSA-N 0 0 437.334 2.722 50 0 IFAARN Cc1c(NC(=O)Cn2c(C)nc(-c3ccccc3)cc2=O)c(=O)n(-c2ccccc2)n1C ZINC000009045875 569498151 /nfs/dbraw/zinc/49/81/51/569498151.db2.gz UMCPCLDAOCCQOE-UHFFFAOYSA-N 0 0 429.480 2.655 50 0 IFAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000040312771 569498907 /nfs/dbraw/zinc/49/89/07/569498907.db2.gz GOXJFHIELMUNEL-HSZRJFAPSA-N 0 0 439.468 2.650 50 0 IFAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)C2=O)cc1 ZINC000009056605 569499076 /nfs/dbraw/zinc/49/90/76/569499076.db2.gz HHWKMPIFKLZHTK-HNNXBMFYSA-N 0 0 435.480 2.747 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)n1-c1ccccc1O ZINC000009059649 569499389 /nfs/dbraw/zinc/49/93/89/569499389.db2.gz UACBKKNKSGWVIE-DHZHZOJOSA-N 0 0 427.464 2.866 50 0 IFAARN O=C(NCc1ccccn1)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]13)O2 ZINC000009061285 569499605 /nfs/dbraw/zinc/49/96/05/569499605.db2.gz PZFATHDPBKJXOJ-NEYJZJCJSA-N 0 0 429.398 2.703 50 0 IFAARN COCc1c2ccccc2oc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000069291001 569499611 /nfs/dbraw/zinc/49/96/11/569499611.db2.gz MKSBOTZVWSXKMI-UHFFFAOYSA-N 0 0 428.510 2.867 50 0 IFAARN O=C(/C=C/c1cc(Br)ccc1F)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000069302404 569500183 /nfs/dbraw/zinc/50/01/83/569500183.db2.gz ZODJDBGZSFWDOU-DAFODLJHSA-N 0 0 425.298 2.699 50 0 IFAARN COc1ccc(NC(=O)CN2CCc3sccc3[C@H]2C2CC2)cc1S(=O)(=O)N(C)C ZINC000009076824 569500354 /nfs/dbraw/zinc/50/03/54/569500354.db2.gz DKIDRPRSKMAEIE-OAQYLSRUSA-N 0 0 449.598 2.955 50 0 IFAARN COc1ccc2cc([C@]3(C)NC(=O)N(Cc4nnnn4-c4ccccc4)C3=O)ccc2c1 ZINC000009076927 569500360 /nfs/dbraw/zinc/50/03/60/569500360.db2.gz AWZIZTZBPJFMEF-QHCPKHFHSA-N 0 0 428.452 2.791 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)N[C@H]3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 ZINC000245245406 569501127 /nfs/dbraw/zinc/50/11/27/569501127.db2.gz IXXNHPFDINBNPD-QINHECLXSA-N 0 0 447.601 2.690 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)N3c4ccccc4C[C@H]3C)cc2C[C@H]1C ZINC000245245763 569501245 /nfs/dbraw/zinc/50/12/45/569501245.db2.gz QTCUIUBPDZTCEV-HZPDHXFCSA-N 0 0 441.553 2.582 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)[C@H]1C ZINC000245257889 569501592 /nfs/dbraw/zinc/50/15/92/569501592.db2.gz GLRMJGOQVKNCDH-AUKGUFSJSA-N 0 0 435.615 2.850 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)[C@H]1C ZINC000245257890 569501622 /nfs/dbraw/zinc/50/16/22/569501622.db2.gz GLRMJGOQVKNCDH-CZAUZLFCSA-N 0 0 435.615 2.850 50 0 IFAARN COc1ccc(-n2c(-c3ccc(F)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1C ZINC000009108631 569501923 /nfs/dbraw/zinc/50/19/23/569501923.db2.gz GHJMFQYPGDSNKU-UHFFFAOYSA-N 0 0 433.443 2.799 50 0 IFAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000245284288 569502195 /nfs/dbraw/zinc/50/21/95/569502195.db2.gz RJEFWYDMCBHJSE-HBAYXTBCSA-N 0 0 432.517 2.774 50 0 IFAARN Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000009117125 569503042 /nfs/dbraw/zinc/50/30/42/569503042.db2.gz VKCDQMVKWXUWQJ-INIZCTEOSA-N 0 0 441.553 2.942 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)Nc3cccc(C)n3)C(C)C)cc2C[C@@H]1C ZINC000009118207 569503254 /nfs/dbraw/zinc/50/32/54/569503254.db2.gz HBOVVHUEZANIMY-YCRPNKLZSA-N 0 0 444.557 2.629 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000009120284 569503849 /nfs/dbraw/zinc/50/38/49/569503849.db2.gz MZMSAIJZJBAHCE-UHFFFAOYSA-N 0 0 434.448 2.934 50 0 IFAARN COc1ccccc1N1CCn2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C ZINC000009124147 569504303 /nfs/dbraw/zinc/50/43/03/569504303.db2.gz RHGKYCVQVDOWBZ-DHZHZOJOSA-N 0 0 429.480 2.770 50 0 IFAARN COc1cccc(N2CCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)c1 ZINC000009124617 569504335 /nfs/dbraw/zinc/50/43/35/569504335.db2.gz JAYPVRCNTGMEJG-UHFFFAOYSA-N 0 0 431.496 2.690 50 0 IFAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000009126277 569504883 /nfs/dbraw/zinc/50/48/83/569504883.db2.gz XZKKVDZEBCKMDO-QGZVFWFLSA-N 0 0 427.551 2.935 50 0 IFAARN O=c1c2ccccc2nnn1CSc1nnc(CN2CCCC2)n1Cc1ccccc1 ZINC000009126498 569504951 /nfs/dbraw/zinc/50/49/51/569504951.db2.gz UQRDSVFJMUJVJN-UHFFFAOYSA-N 0 0 433.541 2.777 50 0 IFAARN Cn1c2nc3n(cc(-c4ccc5ccccc5c4)n3C[C@@H]3CCCO3)c2c(=O)n(C)c1=O ZINC000009126716 569504956 /nfs/dbraw/zinc/50/49/56/569504956.db2.gz ABVQPXMVJPHEJM-SFHVURJKSA-N 0 0 429.480 2.686 50 0 IFAARN COc1ccc(OC)c(NC(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000009127395 569505168 /nfs/dbraw/zinc/50/51/68/569505168.db2.gz UWAOGDNCKDXCDO-UHFFFAOYSA-N 0 0 444.528 2.908 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2)CC1 ZINC000009127957 569505313 /nfs/dbraw/zinc/50/53/13/569505313.db2.gz AVDKRIWJMPNBOL-GOSISDBHSA-N 0 0 430.526 2.677 50 0 IFAARN CC(C)Oc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000009128927 569505537 /nfs/dbraw/zinc/50/55/37/569505537.db2.gz IYYZDYOLYXWFCR-AWEZNQCLSA-N 0 0 428.441 2.503 50 0 IFAARN COc1cc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc(OC)c1OC ZINC000009130225 569505948 /nfs/dbraw/zinc/50/59/48/569505948.db2.gz OWZPUWKVLGKURU-IBGZPJMESA-N 0 0 436.258 2.888 50 0 IFAARN O=C(Nc1cccnc1N1CCCC1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000069443564 569506583 /nfs/dbraw/zinc/50/65/83/569506583.db2.gz TYOVXLPTBCERPH-UHFFFAOYSA-N 0 0 435.575 2.718 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cccc(C(F)(F)F)c2)c1=O)Nc1ccc(F)cc1 ZINC000040477145 569506641 /nfs/dbraw/zinc/50/66/41/569506641.db2.gz DIWUOJPSKIREJB-UHFFFAOYSA-N 0 0 446.364 2.833 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O ZINC000040478096 569506691 /nfs/dbraw/zinc/50/66/91/569506691.db2.gz GKPGOQVUCULDDI-UHFFFAOYSA-N 0 0 444.829 2.915 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1ccc(Cl)cc1 ZINC000040478093 569506696 /nfs/dbraw/zinc/50/66/96/569506696.db2.gz IUAOWYKGDFHPNS-UHFFFAOYSA-N 0 0 430.802 2.607 50 0 IFAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2c(C)cccc2Cl)c3=O)c1 ZINC000040478175 569506704 /nfs/dbraw/zinc/50/67/04/569506704.db2.gz YMYQDUONIQTWIZ-UHFFFAOYSA-N 0 0 438.875 2.645 50 0 IFAARN CN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009134702 569507013 /nfs/dbraw/zinc/50/70/13/569507013.db2.gz CZBFUZQHLXMHKJ-INIZCTEOSA-N 0 0 430.555 2.751 50 0 IFAARN CCN(C(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(OC)cc1 ZINC000009151691 569507558 /nfs/dbraw/zinc/50/75/58/569507558.db2.gz DZEFKZDJHFVRFI-AWEZNQCLSA-N 0 0 432.498 2.632 50 0 IFAARN Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1N(C)C ZINC000009151680 569507567 /nfs/dbraw/zinc/50/75/67/569507567.db2.gz VPSBHALBQHICJW-CQSZACIVSA-N 0 0 431.514 2.583 50 0 IFAARN Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1N(C)C ZINC000009151681 569507572 /nfs/dbraw/zinc/50/75/72/569507572.db2.gz VPSBHALBQHICJW-AWEZNQCLSA-N 0 0 431.514 2.583 50 0 IFAARN CCOc1ccccc1NC(=O)C[C@@H](C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000009151814 569507604 /nfs/dbraw/zinc/50/76/04/569507604.db2.gz RAURZIFEWALXLV-CQSZACIVSA-N 0 0 432.498 2.916 50 0 IFAARN COc1ccc(C)cc1NC(=O)C[C@@H](C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000009151830 569507618 /nfs/dbraw/zinc/50/76/18/569507618.db2.gz RIVBQJWZJGKMOK-CQSZACIVSA-N 0 0 432.498 2.834 50 0 IFAARN COc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(N)n2)c1 ZINC000009152089 569507711 /nfs/dbraw/zinc/50/77/11/569507711.db2.gz XQHFPPOQNCEEFU-UHFFFAOYSA-N 0 0 430.511 2.631 50 0 IFAARN COc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccccc2)c(N)n1 ZINC000009152078 569507723 /nfs/dbraw/zinc/50/77/23/569507723.db2.gz VWAXWINWVYDGME-UHFFFAOYSA-N 0 0 430.511 2.631 50 0 IFAARN CCOc1ccc(CNS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)cc1OC ZINC000009153058 569507975 /nfs/dbraw/zinc/50/79/75/569507975.db2.gz YEYDBFCWZCRXMZ-UHFFFAOYSA-N 0 0 443.481 2.566 50 0 IFAARN Cc1cc(C(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)c(C)n1C1CC1 ZINC000009155592 569508304 /nfs/dbraw/zinc/50/83/04/569508304.db2.gz GGJGUSJPNPCRIZ-DEOSSOPVSA-N 0 0 435.480 2.775 50 0 IFAARN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2csc(-c3ncccn3)n2)CC1 ZINC000069582930 569508344 /nfs/dbraw/zinc/50/83/44/569508344.db2.gz WOHZDWMPRHQHKX-OAHLLOKOSA-N 0 0 426.521 2.884 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000009165312 569508761 /nfs/dbraw/zinc/50/87/61/569508761.db2.gz QSEVTXLYEHSMAG-AWEZNQCLSA-N 0 0 437.414 2.755 50 0 IFAARN COc1cccc2cc(-c3nnc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)o3)oc21 ZINC000009166769 569508893 /nfs/dbraw/zinc/50/88/93/569508893.db2.gz WFDBRFWTCDADFI-UHFFFAOYSA-N 0 0 442.453 2.994 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)c1 ZINC000009190126 569510516 /nfs/dbraw/zinc/51/05/16/569510516.db2.gz WUKMYDOOPORTFC-RHSMWYFYSA-N 0 0 431.562 2.792 50 0 IFAARN CCOCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)c(Cl)c1 ZINC000009190939 569510588 /nfs/dbraw/zinc/51/05/88/569510588.db2.gz CNIHRNDZKUUXPO-UHFFFAOYSA-N 0 0 440.331 2.627 50 0 IFAARN CNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1C ZINC000009192602 569510773 /nfs/dbraw/zinc/51/07/73/569510773.db2.gz JGVVJLWHASGGLE-UHFFFAOYSA-N 0 0 441.475 2.884 50 0 IFAARN Cn1c2ccccc2nc1SCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009202499 569511197 /nfs/dbraw/zinc/51/11/97/569511197.db2.gz RBZLIWPZPYARED-KRWDZBQOSA-N 0 0 429.567 2.881 50 0 IFAARN Cc1ccc(C(=O)N(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000009206700 569511403 /nfs/dbraw/zinc/51/14/03/569511403.db2.gz VLFXJVPUGITPSI-UHFFFAOYSA-N 0 0 439.493 2.810 50 0 IFAARN Cc1ccsc1CCNS(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1 ZINC000009211570 569511803 /nfs/dbraw/zinc/51/18/03/569511803.db2.gz QTYTWDKKYQLGNC-UHFFFAOYSA-N 0 0 441.534 2.769 50 0 IFAARN CC(=O)c1cccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000009211642 569511828 /nfs/dbraw/zinc/51/18/28/569511828.db2.gz TWDRTNKRIJGYCC-CQSZACIVSA-N 0 0 428.510 2.989 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3cccc4ncccc43)CC2)cc1 ZINC000009217011 569512247 /nfs/dbraw/zinc/51/22/47/569512247.db2.gz XHOUWVJXPCHHBT-UHFFFAOYSA-N 0 0 438.553 2.878 50 0 IFAARN COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cn1 ZINC000009221042 569512618 /nfs/dbraw/zinc/51/26/18/569512618.db2.gz OUKBLVXYMMKXKS-UHFFFAOYSA-N 0 0 432.546 2.862 50 0 IFAARN CCc1ccccc1N1C[C@H](C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000009222670 569512799 /nfs/dbraw/zinc/51/27/99/569512799.db2.gz FPLXZQINUWOZHA-RTWAWAEBSA-N 0 0 440.565 2.818 50 0 IFAARN COc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(Cl)ccc3C)c2N)c(OC)c1 ZINC000009226870 569513328 /nfs/dbraw/zinc/51/33/28/569513328.db2.gz DWXLZLQVIHHVOF-UHFFFAOYSA-N 0 0 444.879 2.730 50 0 IFAARN C=C1C(Nc2cc(C(=O)OC)cc(C(=O)OC)c2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000009228953 569513669 /nfs/dbraw/zinc/51/36/69/569513669.db2.gz SQCDYMCHMIFJMF-UHFFFAOYSA-N 0 0 432.429 2.984 50 0 IFAARN COc1cccc(-n2c(C)cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c1 ZINC000009242743 569514678 /nfs/dbraw/zinc/51/46/78/569514678.db2.gz ATBQPHVONZGSKA-UHFFFAOYSA-N 0 0 433.443 2.643 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(CCCO)c(=O)n3C)n1-c1ccc(Oc2ccccc2)cc1 ZINC000009243140 569514775 /nfs/dbraw/zinc/51/47/75/569514775.db2.gz RZWGMUQGDKTBMC-UHFFFAOYSA-N 0 0 445.479 2.622 50 0 IFAARN Cc1cc(C)n2c(nnc2SCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)n1 ZINC000009244623 569515100 /nfs/dbraw/zinc/51/51/00/569515100.db2.gz PDDYBDSLVNDGIQ-UHFFFAOYSA-N 0 0 425.923 2.529 50 0 IFAARN O=C(NCCCS(=O)(=O)Cc1ccccc1)Nc1ccccc1N1CCC(O)CC1 ZINC000069739697 569515791 /nfs/dbraw/zinc/51/57/91/569515791.db2.gz JGNAUBYTMXLAQQ-UHFFFAOYSA-N 0 0 431.558 2.774 50 0 IFAARN COc1ccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2ccc(F)cc2)cc1OC ZINC000009252628 569516013 /nfs/dbraw/zinc/51/60/13/569516013.db2.gz QOPYEIQRHGVGIV-UXHICEINSA-N 0 0 438.459 2.767 50 0 IFAARN Cc1oc(NC(=O)CSc2nnc(Cc3cccs3)n2C)c2c1c(C)n[nH]c2=O ZINC000009252513 569516040 /nfs/dbraw/zinc/51/60/40/569516040.db2.gz BUGSOFVWRHAERM-UHFFFAOYSA-N 0 0 430.515 2.645 50 0 IFAARN COc1cccc([C@@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1O ZINC000009253017 569516156 /nfs/dbraw/zinc/51/61/56/569516156.db2.gz NNUFKMDFFDQSQE-QFIPXVFZSA-N 0 0 433.464 2.540 50 0 IFAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)NCCc3ccc(O)cc3)C2=O)cc1OC ZINC000009253349 569516171 /nfs/dbraw/zinc/51/61/71/569516171.db2.gz FPKVSZTWBORSFI-UNOMPAQXSA-N 0 0 442.493 2.805 50 0 IFAARN CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCSc1ccccc1 ZINC000009253265 569516193 /nfs/dbraw/zinc/51/61/93/569516193.db2.gz BEBVMXYSLCDHGQ-KRWDZBQOSA-N 0 0 449.623 2.755 50 0 IFAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009253698 569516245 /nfs/dbraw/zinc/51/62/45/569516245.db2.gz OWOQGPCLSIRKEK-UHFFFAOYSA-N 0 0 439.497 2.618 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000009255887 569516641 /nfs/dbraw/zinc/51/66/41/569516641.db2.gz IZRVOGUCJWOHCI-UQBPGWFLSA-N 0 0 449.507 2.809 50 0 IFAARN CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(OC)cc1 ZINC000009260391 569516962 /nfs/dbraw/zinc/51/69/62/569516962.db2.gz IHNQCZLQPLTBGY-LJQANCHMSA-N 0 0 437.543 2.568 50 0 IFAARN Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000009261621 569516992 /nfs/dbraw/zinc/51/69/92/569516992.db2.gz HKHSGBNODIFNSV-UHFFFAOYSA-N 0 0 428.499 2.679 50 0 IFAARN Cc1csc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)n1 ZINC000009262422 569517037 /nfs/dbraw/zinc/51/70/37/569517037.db2.gz GEQFJCQVYFBXGD-NSHDSACASA-N 0 0 434.522 2.941 50 0 IFAARN Cc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)cc3C)n2C)s1 ZINC000009263977 569517270 /nfs/dbraw/zinc/51/72/70/569517270.db2.gz LAXISWQSQFDSHH-UHFFFAOYSA-N 0 0 431.547 2.504 50 0 IFAARN COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2cc(F)ccc2C)n1C ZINC000009263813 569517277 /nfs/dbraw/zinc/51/72/77/569517277.db2.gz SIQRYWPTHPVIAX-UHFFFAOYSA-N 0 0 443.504 2.932 50 0 IFAARN Cc1cc(C)cc(NC(=O)CN2C(=O)N(c3cc(C)cc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009269423 569517620 /nfs/dbraw/zinc/51/76/20/569517620.db2.gz MTCICKHHMFWEAV-LEWJYISDSA-N 0 0 441.553 2.967 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3cc(C)cc(C)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000009269346 569517628 /nfs/dbraw/zinc/51/76/28/569517628.db2.gz QLNGSRWZURGZTM-SFTDATJTSA-N 0 0 441.553 2.912 50 0 IFAARN O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000069808692 569519314 /nfs/dbraw/zinc/51/93/14/569519314.db2.gz CQQXUXKAPAMMCF-VQTJNVASSA-N 0 0 438.553 2.943 50 0 IFAARN CCn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nncs1 ZINC000009289831 569519583 /nfs/dbraw/zinc/51/95/83/569519583.db2.gz CINACKLXRAGZDM-UHFFFAOYSA-N 0 0 437.938 2.715 50 0 IFAARN Cc1nn(CCCC(=O)NCCCN2CCCC2=O)c(=O)c2c3ccccc3sc21 ZINC000009289615 569519587 /nfs/dbraw/zinc/51/95/87/569519587.db2.gz BXRUCKOKEUJJAU-UHFFFAOYSA-N 0 0 426.542 2.829 50 0 IFAARN C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2nncs2)n1C ZINC000009289776 569519611 /nfs/dbraw/zinc/51/96/11/569519611.db2.gz AQNDUYJZPJRYJG-SECBINFHSA-N 0 0 437.938 2.542 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(Cc2cccc4ccccc42)c(=O)n3C)n1C[C@H]1CCCO1 ZINC000009297192 569520544 /nfs/dbraw/zinc/52/05/44/569520544.db2.gz FRTPANRJIXXEHC-LJQANCHMSA-N 0 0 443.507 2.838 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000009300922 569520646 /nfs/dbraw/zinc/52/06/46/569520646.db2.gz RUQJGOJJHLZTNM-UHFFFAOYSA-N 0 0 435.546 2.993 50 0 IFAARN O=C(NCc1cccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009303118 569521010 /nfs/dbraw/zinc/52/10/10/569521010.db2.gz YPSGWGFGQRZWSP-MRXNPFEDSA-N 0 0 447.582 2.592 50 0 IFAARN O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009303946 569521124 /nfs/dbraw/zinc/52/11/24/569521124.db2.gz MZVWRUPUDMQSLC-MRXNPFEDSA-N 0 0 445.516 2.992 50 0 IFAARN Cc1ccc(NC(=O)CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1F ZINC000009306412 569521330 /nfs/dbraw/zinc/52/13/30/569521330.db2.gz FYBFOUCOGMDWLO-UHFFFAOYSA-N 0 0 447.532 2.680 50 0 IFAARN O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000009312061 569521870 /nfs/dbraw/zinc/52/18/70/569521870.db2.gz BABMWRRHLLUPOK-UHFFFAOYSA-N 0 0 444.487 2.555 50 0 IFAARN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1=O ZINC000009314103 569521997 /nfs/dbraw/zinc/52/19/97/569521997.db2.gz AZOVDZLOQOITMF-QHCPKHFHSA-N 0 0 434.452 2.647 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1OC ZINC000009314534 569522047 /nfs/dbraw/zinc/52/20/47/569522047.db2.gz DZUKRRLYMZGSEB-IBGZPJMESA-N 0 0 431.514 2.796 50 0 IFAARN CCN(CC(=O)NCc1cccs1)C(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000009315737 569522163 /nfs/dbraw/zinc/52/21/63/569522163.db2.gz JAOBNZORMAIVBR-UHFFFAOYSA-N 0 0 437.587 2.557 50 0 IFAARN O=C(CCSc1ccc(Cl)cc1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009335290 569523292 /nfs/dbraw/zinc/52/32/92/569523292.db2.gz CPYLVYXNVADGBW-UHFFFAOYSA-N 0 0 436.917 2.943 50 0 IFAARN CCOc1ccc2[nH]c(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)nc2c1 ZINC000009335171 569523295 /nfs/dbraw/zinc/52/32/95/569523295.db2.gz SUZIPLRAGAIAGY-UHFFFAOYSA-N 0 0 434.543 2.943 50 0 IFAARN NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000009336678 569523446 /nfs/dbraw/zinc/52/34/46/569523446.db2.gz ZCYGCPCUZYCOQY-IBGZPJMESA-N 0 0 426.904 2.544 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N ZINC000009337184 569523530 /nfs/dbraw/zinc/52/35/30/569523530.db2.gz SAZMAHUUQLUWQF-HNNXBMFYSA-N 0 0 425.268 2.633 50 0 IFAARN O=C(CN1CCN(C(=O)c2cnccn2)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000069948890 569525146 /nfs/dbraw/zinc/52/51/46/569525146.db2.gz MQKSDXYBHVFXDN-UHFFFAOYSA-N 0 0 439.535 2.735 50 0 IFAARN Cc1cc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)ccc1Br ZINC000009355919 569525313 /nfs/dbraw/zinc/52/53/13/569525313.db2.gz ZHACFDNXUJGUGY-UHFFFAOYSA-N 0 0 425.348 2.882 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccccc2)cc1 ZINC000009356547 569525577 /nfs/dbraw/zinc/52/55/77/569525577.db2.gz ZUNABEKNINWFPR-UHFFFAOYSA-N 0 0 439.537 2.988 50 0 IFAARN Cc1cccc(N2CCN(CCNC(=O)[C@@H]3CCCN3C(=O)C3CCCCC3)CC2)c1 ZINC000069968953 569525947 /nfs/dbraw/zinc/52/59/47/569525947.db2.gz CHMAPFUGIUZXOS-QHCPKHFHSA-N 0 0 426.605 2.805 50 0 IFAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)N1CCOCC1 ZINC000009365191 569526122 /nfs/dbraw/zinc/52/61/22/569526122.db2.gz GWRHEXSCYDJEAW-OAHLLOKOSA-N 0 0 427.530 2.556 50 0 IFAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccnc(OC3CCCC3)c1)C2=O ZINC000069981231 569526902 /nfs/dbraw/zinc/52/69/02/569526902.db2.gz AOENQPATVMMPHK-UHFFFAOYSA-N 0 0 428.533 2.910 50 0 IFAARN O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2ccccc2c1 ZINC000009373483 569527031 /nfs/dbraw/zinc/52/70/31/569527031.db2.gz GYWPUJJJVOQCGM-UHFFFAOYSA-N 0 0 432.523 2.662 50 0 IFAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnnn1Cc1cccs1 ZINC000009376133 569527279 /nfs/dbraw/zinc/52/72/79/569527279.db2.gz GBUASBYVGJNIKL-CQSZACIVSA-N 0 0 431.543 2.564 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccnn1Cc1ccccc1 ZINC000009376333 569527353 /nfs/dbraw/zinc/52/73/53/569527353.db2.gz VOVQYCLHBRORJN-UHFFFAOYSA-N 0 0 430.555 2.959 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000009378381 569527653 /nfs/dbraw/zinc/52/76/53/569527653.db2.gz FHLZDUSCHZMBMH-INIZCTEOSA-N 0 0 432.571 2.623 50 0 IFAARN O=C(CN1CCCSc2ccccc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009379309 569527685 /nfs/dbraw/zinc/52/76/85/569527685.db2.gz NHLIGVYICMKJLW-UHFFFAOYSA-N 0 0 449.573 2.661 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN=C1SCc1cccnc1 ZINC000009382459 569528271 /nfs/dbraw/zinc/52/82/71/569528271.db2.gz IZOBAYNIYPVXAE-UHFFFAOYSA-N 0 0 430.555 2.611 50 0 IFAARN CCOC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCN(C(C)=O)C2 ZINC000009383249 569528342 /nfs/dbraw/zinc/52/83/42/569528342.db2.gz FNMUZVLYRLJKQR-INIZCTEOSA-N 0 0 430.482 2.608 50 0 IFAARN COc1cccc2sc(N(CCN(C)C)C(=O)c3cccc(S(C)(=O)=O)c3)nc21 ZINC000009385961 569528436 /nfs/dbraw/zinc/52/84/36/569528436.db2.gz NLAQUEDNKMZQAZ-UHFFFAOYSA-N 0 0 433.555 2.917 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2ccc3ccccc3c2)C1=O ZINC000009385561 569528448 /nfs/dbraw/zinc/52/84/48/569528448.db2.gz QOGVWJXBUAJSRJ-RUZDIDTESA-N 0 0 444.491 2.544 50 0 IFAARN COc1cccc(NC(=O)COc2ccc(C(=O)NCc3nnc4ccccn43)cc2)c1 ZINC000009387251 569528499 /nfs/dbraw/zinc/52/84/99/569528499.db2.gz UFUPAHRENXDALY-UHFFFAOYSA-N 0 0 431.452 2.685 50 0 IFAARN CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1F ZINC000009392339 569529064 /nfs/dbraw/zinc/52/90/64/569529064.db2.gz RDOPHQVGTPBUTE-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccc(F)cc1 ZINC000009392270 569529075 /nfs/dbraw/zinc/52/90/75/569529075.db2.gz BMMCEWLHWSVUEY-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(F)cc3C)cc2C[C@@H]1C ZINC000009396926 569529232 /nfs/dbraw/zinc/52/92/32/569529232.db2.gz KGZFCKBOWVMPSJ-AWEZNQCLSA-N 0 0 433.505 2.691 50 0 IFAARN CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000009396899 569529238 /nfs/dbraw/zinc/52/92/38/569529238.db2.gz STJVNJAAENPEPG-CQSZACIVSA-N 0 0 447.582 2.965 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2F)s1 ZINC000009405074 569529740 /nfs/dbraw/zinc/52/97/40/569529740.db2.gz UMFDWDUVLIYNLU-UHFFFAOYSA-N 0 0 436.490 2.515 50 0 IFAARN CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)cn2C)s1 ZINC000009405443 569529899 /nfs/dbraw/zinc/52/98/99/569529899.db2.gz LYCYNFIBHSEFQD-UHFFFAOYSA-N 0 0 449.583 2.992 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2ccccc2Cl)c1=O)CCN3c1ccc(F)cc1 ZINC000009406703 569530118 /nfs/dbraw/zinc/53/01/18/569530118.db2.gz MNEXLQUIOGHEOU-UHFFFAOYSA-N 0 0 425.851 2.889 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2cccc(Cl)c2)c1=O)CCN3c1ccc(F)cc1 ZINC000009406704 569530137 /nfs/dbraw/zinc/53/01/37/569530137.db2.gz WLJHREKXPNNARC-UHFFFAOYSA-N 0 0 425.851 2.889 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1 ZINC000009407487 569530230 /nfs/dbraw/zinc/53/02/30/569530230.db2.gz APPHTLKRAQNASE-UHFFFAOYSA-N 0 0 448.479 2.877 50 0 IFAARN Cc1ccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)c(C)c1 ZINC000009408084 569530429 /nfs/dbraw/zinc/53/04/29/569530429.db2.gz SGRYVXAPAZLVPD-UHFFFAOYSA-N 0 0 429.498 2.635 50 0 IFAARN Cc1cccc(N(CC(=O)Nc2ccc(F)cc2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000009408205 569530516 /nfs/dbraw/zinc/53/05/16/569530516.db2.gz NXMWDCGLXBZRRH-ZWKOTPCHSA-N 0 0 433.530 2.848 50 0 IFAARN COc1ccc(N(CC(=O)Nc2cccc(C)c2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009408273 569530533 /nfs/dbraw/zinc/53/05/33/569530533.db2.gz SGENEIQKBHNWDQ-RBUKOAKNSA-N 0 0 445.566 2.717 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccccc2C)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009408270 569530537 /nfs/dbraw/zinc/53/05/37/569530537.db2.gz IMPVFKXOLVONFW-OALUTQOASA-N 0 0 445.566 2.717 50 0 IFAARN Cc1ccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c2ccccc2)cc1F ZINC000009408373 569530554 /nfs/dbraw/zinc/53/05/54/569530554.db2.gz XJDTWGXIOHLSRI-ZWKOTPCHSA-N 0 0 433.530 2.848 50 0 IFAARN CC(C)C[C@H](NC(=O)C[C@@H](CNC(=O)C1CC[NH2+]CC1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000009410512 569531381 /nfs/dbraw/zinc/53/13/81/569531381.db2.gz SZLAAKGRBNUUQR-HKUYNNGSSA-N 0 0 437.968 2.545 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1nc2ccc(F)cc2s1 ZINC000009412240 569531566 /nfs/dbraw/zinc/53/15/66/569531566.db2.gz IUDYDWKRUGGNHX-UHFFFAOYSA-N 0 0 437.474 2.514 50 0 IFAARN Nc1c(N(Cc2ccco2)C(=O)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000009413094 569531631 /nfs/dbraw/zinc/53/16/31/569531631.db2.gz OCTDPMBJCLGFGA-UHFFFAOYSA-N 0 0 430.464 2.536 50 0 IFAARN Cc1ccc(-n2nnc3c2ncn(CC(=O)N2CCC(Cc4ccccc4)CC2)c3=O)cc1 ZINC000009412747 569531681 /nfs/dbraw/zinc/53/16/81/569531681.db2.gz SXMAKNVRBKKRAS-UHFFFAOYSA-N 0 0 442.523 2.767 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)Nc1ccc(F)cc1F ZINC000009412702 569531684 /nfs/dbraw/zinc/53/16/84/569531684.db2.gz ZNITYFHWGHYDPJ-UHFFFAOYSA-N 0 0 430.802 2.607 50 0 IFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1=O ZINC000009413143 569531709 /nfs/dbraw/zinc/53/17/09/569531709.db2.gz UHTSLHQDLSVROY-LFVRLGFBSA-N 0 0 441.459 2.631 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N1CCS[C@H]1c1ccccc1F ZINC000009413882 569531902 /nfs/dbraw/zinc/53/19/02/569531902.db2.gz MLNWPNFLGJPVSV-SIKLNZKXSA-N 0 0 441.484 2.630 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCS[C@H]1c1ccccc1F ZINC000009413871 569531909 /nfs/dbraw/zinc/53/19/09/569531909.db2.gz MLNWPNFLGJPVSV-UGKGYDQZSA-N 0 0 441.484 2.630 50 0 IFAARN COCCn1c2ccccc2nc1SCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009415976 569532280 /nfs/dbraw/zinc/53/22/80/569532280.db2.gz WEXJKQCOTPJFCG-UHFFFAOYSA-N 0 0 447.582 2.996 50 0 IFAARN COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000009416430 569532312 /nfs/dbraw/zinc/53/23/12/569532312.db2.gz SKMKDNHNOBEKQT-ZDUSSCGKSA-N 0 0 427.486 2.621 50 0 IFAARN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(=O)n2ccsc2n1 ZINC000009417496 569532383 /nfs/dbraw/zinc/53/23/83/569532383.db2.gz USJPEFOEWYHEJW-QHCPKHFHSA-N 0 0 430.489 2.946 50 0 IFAARN O=c1/c(=C/c2cccc(Br)c2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12 ZINC000009424429 569533092 /nfs/dbraw/zinc/53/30/92/569533092.db2.gz ODPBZUBOXWEEQX-YBEGLDIGSA-N 0 0 444.285 2.551 50 0 IFAARN Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)cc1 ZINC000009430775 569533971 /nfs/dbraw/zinc/53/39/71/569533971.db2.gz MFYOKYYBNQHWRW-IBGZPJMESA-N 0 0 439.537 2.554 50 0 IFAARN COc1ccc(NC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3C)c(OC)c1 ZINC000009431272 569534091 /nfs/dbraw/zinc/53/40/91/569534091.db2.gz QXTHKDZLUXSSEL-UHFFFAOYSA-N 0 0 427.486 2.621 50 0 IFAARN Cc1c(C(=O)[O-])sc2c1c(=O)n(Cc1ccccc1)c(=O)n2CC[NH+]1CCCCC1 ZINC000009435256 569534833 /nfs/dbraw/zinc/53/48/33/569534833.db2.gz XFQGAWWKRHGWPF-UHFFFAOYSA-N 0 0 427.526 2.766 50 0 IFAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)NN3C(=O)c4ccccc4C3=O)cc2C1=O ZINC000009440061 569535118 /nfs/dbraw/zinc/53/51/18/569535118.db2.gz OQMWXDPPAKKZID-UHFFFAOYSA-N 0 0 425.400 2.737 50 0 IFAARN Cc1cccc(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000009441041 569535333 /nfs/dbraw/zinc/53/53/33/569535333.db2.gz LKGPTSPSVAUWCW-HNNXBMFYSA-N 0 0 432.567 2.950 50 0 IFAARN CCOc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009442191 569535473 /nfs/dbraw/zinc/53/54/73/569535473.db2.gz PQCLXEOTIBNQMP-UHFFFAOYSA-N 0 0 438.571 2.839 50 0 IFAARN COc1ccc(Cc2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)n2N)cc1OC ZINC000009442155 569535495 /nfs/dbraw/zinc/53/54/95/569535495.db2.gz KJVUKYFHZKNUFJ-SQWLQELKSA-N 0 0 433.578 2.633 50 0 IFAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000009448728 569536105 /nfs/dbraw/zinc/53/61/05/569536105.db2.gz FJGYXELPVKAFQK-PKTZIBPZSA-N 0 0 427.504 2.987 50 0 IFAARN COCCCn1c(C(=O)NCc2ccc(OC)cc2)cc2c1nc1c(C)cccn1c2=O ZINC000009449851 569536212 /nfs/dbraw/zinc/53/62/12/569536212.db2.gz BGUHYJQVVQUDHD-UHFFFAOYSA-N 0 0 434.496 2.933 50 0 IFAARN COc1ccc(-c2cc(-c3nnc(SCC(=O)NC4CCCCC4)n3N)n[nH]2)cc1 ZINC000009451349 569536381 /nfs/dbraw/zinc/53/63/81/569536381.db2.gz CNMZEAXEALYANO-UHFFFAOYSA-N 0 0 427.534 2.599 50 0 IFAARN COC(=O)[C@H](CC(C)C)NC(=O)CSc1n[nH]c(-c2cc(Cl)ccc2OC)n1 ZINC000009451418 569536421 /nfs/dbraw/zinc/53/64/21/569536421.db2.gz UPGHJCOWZRPGST-ZDUSSCGKSA-N 0 0 426.926 2.930 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)[C@H](c3ccco3)C2)cc1 ZINC000009453836 569536645 /nfs/dbraw/zinc/53/66/45/569536645.db2.gz PYYXPPVCAWMTRU-MBSDFSHPSA-N 0 0 436.468 2.686 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000009462010 569537180 /nfs/dbraw/zinc/53/71/80/569537180.db2.gz XIFXIGMZKSBZCG-KRWDZBQOSA-N 0 0 433.574 2.899 50 0 IFAARN CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 ZINC000009462715 569537297 /nfs/dbraw/zinc/53/72/97/569537297.db2.gz FBAJDKBKALTKHD-RDGPPVDQSA-N 0 0 438.281 2.917 50 0 IFAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCc1cn2cc(Cl)ccc2n1 ZINC000009463705 569537495 /nfs/dbraw/zinc/53/74/95/569537495.db2.gz HKZQIMCAWANHNX-UHFFFAOYSA-N 0 0 432.889 2.550 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1 ZINC000009465361 569537899 /nfs/dbraw/zinc/53/78/99/569537899.db2.gz VADABABTFMFPQM-QGZVFWFLSA-N 0 0 444.553 2.993 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000009467238 569538416 /nfs/dbraw/zinc/53/84/16/569538416.db2.gz WTSJVIKEIOTEOZ-UHFFFAOYSA-N 0 0 439.537 2.832 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCCCc1ccccc1)n2C ZINC000009467561 569538431 /nfs/dbraw/zinc/53/84/31/569538431.db2.gz ACGMWCZWQOENNL-UHFFFAOYSA-N 0 0 442.585 2.895 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000009467555 569538439 /nfs/dbraw/zinc/53/84/39/569538439.db2.gz VGFURWSEOLHSAI-NPMXOYFQSA-N 0 0 425.533 2.598 50 0 IFAARN CCCCCNc1nc2c(c(=O)n(Cc3ccc(Br)cc3)c(=O)n2C)n1C ZINC000009471406 569538973 /nfs/dbraw/zinc/53/89/73/569538973.db2.gz QIXKXYJRWYBVJD-UHFFFAOYSA-N 0 0 434.338 2.847 50 0 IFAARN COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1 ZINC000009483002 569539458 /nfs/dbraw/zinc/53/94/58/569539458.db2.gz HSKKIFLGHWMHMC-INIZCTEOSA-N 0 0 449.511 2.671 50 0 IFAARN Nn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1cc(-c2ccccc2)n[nH]1 ZINC000009487763 569539736 /nfs/dbraw/zinc/53/97/36/569539736.db2.gz NVFIAUOSYBMMLM-UHFFFAOYSA-N 0 0 426.893 2.828 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(NCc3ccccc3)s2)c1 ZINC000009491142 569540230 /nfs/dbraw/zinc/54/02/30/569540230.db2.gz AYWHRSKYFIQJFB-UHFFFAOYSA-N 0 0 435.556 2.528 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c1 ZINC000009491199 569540357 /nfs/dbraw/zinc/54/03/57/569540357.db2.gz MNPHKTDQWAFOQF-UHFFFAOYSA-N 0 0 447.344 2.528 50 0 IFAARN CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cccc(Br)c1 ZINC000009491523 569540397 /nfs/dbraw/zinc/54/03/97/569540397.db2.gz RAGVJHROAZGSAG-UHFFFAOYSA-N 0 0 429.311 2.915 50 0 IFAARN O=C(COc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009493295 569540717 /nfs/dbraw/zinc/54/07/17/569540717.db2.gz MYHCTQJDKPCLTI-UHFFFAOYSA-N 0 0 428.432 2.617 50 0 IFAARN CN(C(=O)c1cc(C2CC2)nc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009495113 569540968 /nfs/dbraw/zinc/54/09/68/569540968.db2.gz SUDNXOXUZATSRJ-UHFFFAOYSA-N 0 0 441.491 2.869 50 0 IFAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009495879 569541187 /nfs/dbraw/zinc/54/11/87/569541187.db2.gz GXDIUSUDHKHCBE-UHFFFAOYSA-N 0 0 433.464 2.739 50 0 IFAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3S[C@H]3CCS(=O)(=O)C3)cc2NC1=O ZINC000009496985 569541281 /nfs/dbraw/zinc/54/12/81/569541281.db2.gz FVTIFIZABXLVIS-OCCSQVGLSA-N 0 0 432.523 2.938 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(CNc2ncnc3c2cnn3-c2ccc(F)cc2)s1 ZINC000009498911 569541461 /nfs/dbraw/zinc/54/14/61/569541461.db2.gz DVJMJNDYTQEGPX-UHFFFAOYSA-N 0 0 432.506 2.879 50 0 IFAARN CCc1ccc(-c2nc(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n[nH]2)cc1 ZINC000009500501 569541539 /nfs/dbraw/zinc/54/15/39/569541539.db2.gz MREAZBOJFQSOOS-KRWDZBQOSA-N 0 0 436.603 2.798 50 0 IFAARN O=C(N[C@]1(C(F)(F)F)NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)c1ccccc1 ZINC000009510423 569542776 /nfs/dbraw/zinc/54/27/76/569542776.db2.gz PAAMENHQRHRYJB-FQEVSTJZSA-N 0 0 430.386 2.951 50 0 IFAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C2=O ZINC000009512428 569542974 /nfs/dbraw/zinc/54/29/74/569542974.db2.gz KUVXYLYSUNSDPR-WNSKOXEYSA-N 0 0 438.484 2.649 50 0 IFAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000009514263 569543187 /nfs/dbraw/zinc/54/31/87/569543187.db2.gz OVYNTCKBYXRCSR-XMMPIXPASA-N 0 0 439.487 2.966 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O ZINC000009516157 569543426 /nfs/dbraw/zinc/54/34/26/569543426.db2.gz VLCVSBBZNWKCNK-XMMPIXPASA-N 0 0 445.479 2.657 50 0 IFAARN O=C(c1cccs1)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC000009516314 569543443 /nfs/dbraw/zinc/54/34/43/569543443.db2.gz KABRWZZWTFDTBW-INIZCTEOSA-N 0 0 431.945 2.735 50 0 IFAARN CCCNC(=O)[C@H](C)NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000009516819 569543535 /nfs/dbraw/zinc/54/35/35/569543535.db2.gz XBDHEJJKBDFMKD-LBPRGKRZSA-N 0 0 441.912 2.924 50 0 IFAARN CCOc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1S(C)(=O)=O ZINC000009517133 569543576 /nfs/dbraw/zinc/54/35/76/569543576.db2.gz LUCOZOCCMPSAKG-SFHVURJKSA-N 0 0 437.543 2.568 50 0 IFAARN Cc1ccccc1-c1nc(SCC(=O)c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000009517494 569543627 /nfs/dbraw/zinc/54/36/27/569543627.db2.gz JRHBGDKJVVEUES-UHFFFAOYSA-N 0 0 432.505 2.978 50 0 IFAARN C[C@H]1Cn2c3c(nc2N(C2CCCCC2)C1)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000009519150 569544253 /nfs/dbraw/zinc/54/42/53/569544253.db2.gz HSGFLPVTDXWZAJ-OAHLLOKOSA-N 0 0 425.508 2.873 50 0 IFAARN CC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)NC3CCCC3)c3ccccc32)CC1 ZINC000009519885 569544363 /nfs/dbraw/zinc/54/43/63/569544363.db2.gz QJOIKZHPFQDBIG-UHFFFAOYSA-N 0 0 445.585 2.732 50 0 IFAARN CC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)N3CCCCC3)c3ccccc32)CC1 ZINC000009519847 569544365 /nfs/dbraw/zinc/54/43/65/569544365.db2.gz DSGVEYWGUFHZSD-UHFFFAOYSA-N 0 0 445.585 2.686 50 0 IFAARN COc1ccc(C2=NC3(CCN(CC(=O)Nc4cccc(Cl)c4)CC3)NC2=O)cc1 ZINC000009526784 569544475 /nfs/dbraw/zinc/54/44/75/569544475.db2.gz MNQKHLPRFGDVSD-UHFFFAOYSA-N 0 0 426.904 2.698 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)c1 ZINC000009526657 569544478 /nfs/dbraw/zinc/54/44/78/569544478.db2.gz PIRJXEZPXJMBNG-UHFFFAOYSA-N 0 0 427.888 2.909 50 0 IFAARN O=C(CN1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2)Nc1cc(F)ccc1F ZINC000009526832 569544572 /nfs/dbraw/zinc/54/45/72/569544572.db2.gz STHVMWYNQDCNLN-UHFFFAOYSA-N 0 0 432.858 2.968 50 0 IFAARN COc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(Cl)cc2)C(=O)N3)cc1 ZINC000009526839 569544578 /nfs/dbraw/zinc/54/45/78/569544578.db2.gz PMZYYKPVIPMGTI-UHFFFAOYSA-N 0 0 426.904 2.698 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2 ZINC000009526901 569544609 /nfs/dbraw/zinc/54/46/09/569544609.db2.gz CPYKQIBRWGBRDT-UHFFFAOYSA-N 0 0 444.894 2.837 50 0 IFAARN CCOc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)cc1OC ZINC000009528453 569544704 /nfs/dbraw/zinc/54/47/04/569544704.db2.gz HODVDFBYSAHEIP-GOSISDBHSA-N 0 0 426.560 2.775 50 0 IFAARN CCOc1cc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)ccc1OC ZINC000009528439 569544731 /nfs/dbraw/zinc/54/47/31/569544731.db2.gz SQAGIKIUOMWHGG-GOSISDBHSA-N 0 0 426.560 2.775 50 0 IFAARN COc1ccc(NC(=O)c2ccc(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1OC ZINC000009529881 569544946 /nfs/dbraw/zinc/54/49/46/569544946.db2.gz RHXRONGQDIXANE-MAUKXSAKSA-N 0 0 447.538 2.636 50 0 IFAARN O=C(NCCc1ccccc1Cl)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009529873 569544963 /nfs/dbraw/zinc/54/49/63/569544963.db2.gz KPGXVVZPLVPKJQ-ROUUACIJSA-N 0 0 449.985 2.993 50 0 IFAARN COc1cccc(NC(=O)CCNC(=O)N2CCN(C(=O)c3c[nH]c4ccccc43)CC2)c1 ZINC000009531213 569545114 /nfs/dbraw/zinc/54/51/14/569545114.db2.gz KZRWKCQZHQARLZ-UHFFFAOYSA-N 0 0 449.511 2.673 50 0 IFAARN COc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c1 ZINC000009531560 569545144 /nfs/dbraw/zinc/54/51/44/569545144.db2.gz HBSLWFJMPONUBT-INIZCTEOSA-N 0 0 449.511 2.671 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000009539793 569545670 /nfs/dbraw/zinc/54/56/70/569545670.db2.gz DNJLRCXYJNCJMA-UHFFFAOYSA-N 0 0 448.925 2.609 50 0 IFAARN CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1F ZINC000009540108 569545711 /nfs/dbraw/zinc/54/57/11/569545711.db2.gz YHBQJKRGUTXXDS-MRXNPFEDSA-N 0 0 440.518 2.636 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CN1C(=O)NC3(CCC(C)CC3)C1=O)CCC2 ZINC000009539941 569545754 /nfs/dbraw/zinc/54/57/54/569545754.db2.gz YDBGRJBTUJMRGH-UHFFFAOYSA-N 0 0 433.530 2.853 50 0 IFAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)sc2c1CCCC2 ZINC000009544494 569545950 /nfs/dbraw/zinc/54/59/50/569545950.db2.gz XRPKTINFFHXIST-GFCCVEGCSA-N 0 0 433.530 2.995 50 0 IFAARN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000009544828 569546011 /nfs/dbraw/zinc/54/60/11/569546011.db2.gz KFQVJKBVLJEJEN-UHFFFAOYSA-N 0 0 446.525 2.911 50 0 IFAARN COc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1S(=O)(=O)NC1CC1 ZINC000009549214 569546546 /nfs/dbraw/zinc/54/65/46/569546546.db2.gz JLDDOBYKNBIAHI-UHFFFAOYSA-N 0 0 427.526 2.911 50 0 IFAARN C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCc2nnc3ccccn32)c1)c1ccccc1 ZINC000009549707 569546585 /nfs/dbraw/zinc/54/65/85/569546585.db2.gz SKMFLUCOWGHIRW-MRXNPFEDSA-N 0 0 435.509 2.699 50 0 IFAARN O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000009549295 569546606 /nfs/dbraw/zinc/54/66/06/569546606.db2.gz CGJUZWRVBOLCGN-UHFFFAOYSA-N 0 0 441.443 2.809 50 0 IFAARN CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1 ZINC000009566872 569547403 /nfs/dbraw/zinc/54/74/03/569547403.db2.gz YYYLKFGEMAMMQG-CYBMUJFWSA-N 0 0 449.558 2.961 50 0 IFAARN CCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)nn1 ZINC000009572708 569547839 /nfs/dbraw/zinc/54/78/39/569547839.db2.gz MJQAUOKSSUDYBD-UHFFFAOYSA-N 0 0 433.511 2.747 50 0 IFAARN CCCn1c(N)c(N(CCOC)C(=O)c2cccc(Oc3ccccc3)c2)c(=O)[nH]c1=O ZINC000009575712 569547981 /nfs/dbraw/zinc/54/79/81/569547981.db2.gz LRTCDEOWYAMYCE-UHFFFAOYSA-N 0 0 438.484 2.614 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@H]1CCCc2ccccc21 ZINC000009575924 569547989 /nfs/dbraw/zinc/54/79/89/569547989.db2.gz QNHJKSFZMGHCFN-OALUTQOASA-N 0 0 435.480 2.810 50 0 IFAARN O=C([O-])[C@@H](NC(=O)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1 ZINC000009575853 569548015 /nfs/dbraw/zinc/54/80/15/569548015.db2.gz NTLOSRFHIIJIAF-ATDULFAZSA-N 0 0 449.551 2.566 50 0 IFAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O ZINC000009576806 569548113 /nfs/dbraw/zinc/54/81/13/569548113.db2.gz CYVBRLPVMVPAMD-RUZDIDTESA-N 0 0 430.508 2.783 50 0 IFAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O ZINC000009576801 569548124 /nfs/dbraw/zinc/54/81/24/569548124.db2.gz CYVBRLPVMVPAMD-VWLOTQADSA-N 0 0 430.508 2.783 50 0 IFAARN O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)NC1CCCCC1 ZINC000009578365 569548316 /nfs/dbraw/zinc/54/83/16/569548316.db2.gz DINLCIUUSPNOBN-UHFFFAOYSA-N 0 0 438.557 2.638 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000009578985 569548457 /nfs/dbraw/zinc/54/84/57/569548457.db2.gz DTBQAFMRVQZPHN-DEOSSOPVSA-N 0 0 429.480 2.821 50 0 IFAARN Cc1cc(C(=O)Nc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)s2)no1 ZINC000070634978 569548661 /nfs/dbraw/zinc/54/86/61/569548661.db2.gz SRTHEMWAAAOLQK-UHFFFAOYSA-N 0 0 444.542 2.528 50 0 IFAARN C[C@H]1CCCN(C(=O)COC(=O)c2cccnc2SCC(=O)N2CCC[C@H](C)C2)C1 ZINC000009583670 569549289 /nfs/dbraw/zinc/54/92/89/569549289.db2.gz CXKZLXSRDCMLMA-IRXDYDNUSA-N 0 0 433.574 2.848 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000009584849 569549459 /nfs/dbraw/zinc/54/94/59/569549459.db2.gz FLEFRSZRLROBIQ-IZHWHUGBSA-N 0 0 432.480 2.534 50 0 IFAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCO)n(-c2ccccc2)n1 ZINC000009587631 569549796 /nfs/dbraw/zinc/54/97/96/569549796.db2.gz UIPWKGAEFYHHFY-UHFFFAOYSA-N 0 0 435.509 2.614 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2c(C)noc2C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000009591581 569550172 /nfs/dbraw/zinc/55/01/72/569550172.db2.gz RTXUTDBEUVPDDZ-KRWDZBQOSA-N 0 0 433.848 2.973 50 0 IFAARN CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000009593951 569550518 /nfs/dbraw/zinc/55/05/18/569550518.db2.gz YUUTZSKWCNGSDC-HNNXBMFYSA-N 0 0 434.514 2.956 50 0 IFAARN Cc1sc2nc([C@H](C)OC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)[nH]c(=O)c2c1C ZINC000009594052 569550539 /nfs/dbraw/zinc/55/05/39/569550539.db2.gz FEVMRWFHKGQCGM-QMMMGPOBSA-N 0 0 441.918 2.820 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(C)cc2)c1=O ZINC000009598678 569551047 /nfs/dbraw/zinc/55/10/47/569551047.db2.gz XHHAWDUDKFBDGM-UHFFFAOYSA-N 0 0 449.488 2.948 50 0 IFAARN COc1cccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccc(C)cc3)c2=O)c1 ZINC000009598591 569551058 /nfs/dbraw/zinc/55/10/58/569551058.db2.gz UUHLQAQJUYZSMQ-UHFFFAOYSA-N 0 0 435.505 2.847 50 0 IFAARN O=C(Cn1c(=O)c2sccc2n(Cc2ccccc2F)c1=O)NCCc1ccccc1 ZINC000009598830 569551122 /nfs/dbraw/zinc/55/11/22/569551122.db2.gz WKGXHYNERJCXFI-UHFFFAOYSA-N 0 0 437.496 2.771 50 0 IFAARN O=C(CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1)NCc1ccccc1 ZINC000009599970 569551375 /nfs/dbraw/zinc/55/13/75/569551375.db2.gz NRTQRVFMSVSNQA-UHFFFAOYSA-N 0 0 428.495 2.928 50 0 IFAARN COc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)c1 ZINC000009601619 569551665 /nfs/dbraw/zinc/55/16/65/569551665.db2.gz OJDQGMXSCGEFFA-UHFFFAOYSA-N 0 0 426.860 2.936 50 0 IFAARN COc1ccc(COC(=O)C2C(C)=Nc3nnnn3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009608713 569552174 /nfs/dbraw/zinc/55/21/74/569552174.db2.gz JYPUYUIVGLPXOB-FQEVSTJZSA-N 0 0 437.456 2.731 50 0 IFAARN COc1ccc(Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1Br ZINC000009608669 569552216 /nfs/dbraw/zinc/55/22/16/569552216.db2.gz TZMMMFQSBXQHMS-UHFFFAOYSA-N 0 0 430.306 2.652 50 0 IFAARN COc1ccc(Br)cc1Cn1nnc(C(=O)NCCc2ccccc2)c1N ZINC000009608708 569552222 /nfs/dbraw/zinc/55/22/22/569552222.db2.gz RKHNYPLOGOCUHM-UHFFFAOYSA-N 0 0 430.306 2.652 50 0 IFAARN CCOC(=O)CNC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(Cl)cc1 ZINC000009611077 569552670 /nfs/dbraw/zinc/55/26/70/569552670.db2.gz SFQIIINWZAMIHT-UHFFFAOYSA-N 0 0 447.948 2.621 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c1 ZINC000009612451 569552863 /nfs/dbraw/zinc/55/28/63/569552863.db2.gz KVNIGUZPQCDIEU-UHFFFAOYSA-N 0 0 427.269 2.602 50 0 IFAARN CCCCn1c2ncn(CC(C)C)c2c(=O)n(CC(=O)NCc2ccc(Cl)cc2)c1=O ZINC000009612855 569552934 /nfs/dbraw/zinc/55/29/34/569552934.db2.gz MEVGDITYLJJJMA-UHFFFAOYSA-N 0 0 445.951 2.786 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cccnc2OCC)NC(=O)N[C@H]1c1ccccc1 ZINC000009630387 569553630 /nfs/dbraw/zinc/55/36/30/569553630.db2.gz LYWNBSVTOPLWCN-SFHVURJKSA-N 0 0 425.441 2.508 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncnc2ccccc21 ZINC000009631860 569553892 /nfs/dbraw/zinc/55/38/92/569553892.db2.gz SAGVMAPLXOTFMS-UHFFFAOYSA-N 0 0 432.527 2.620 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CSC(=S)N(CC)CC ZINC000009633412 569554251 /nfs/dbraw/zinc/55/42/51/569554251.db2.gz AAXVUHJIGWILPQ-UHFFFAOYSA-N 0 0 431.605 2.891 50 0 IFAARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCCC1 ZINC000009633844 569554346 /nfs/dbraw/zinc/55/43/46/569554346.db2.gz IVOHHIZPYAZLQM-INIZCTEOSA-N 0 0 449.573 2.599 50 0 IFAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000009634939 569554540 /nfs/dbraw/zinc/55/45/40/569554540.db2.gz QTGSGPCILRLPJV-OAHLLOKOSA-N 0 0 436.555 2.649 50 0 IFAARN O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009637360 569554800 /nfs/dbraw/zinc/55/48/00/569554800.db2.gz GDNGKJGGHNUPEN-LJQANCHMSA-N 0 0 431.489 2.744 50 0 IFAARN C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000009644517 569556023 /nfs/dbraw/zinc/55/60/23/569556023.db2.gz LXLNLBLKQDSJCM-NSHDSACASA-N 0 0 449.458 2.917 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(OC)cc3)n2C)CC1 ZINC000009645077 569556084 /nfs/dbraw/zinc/55/60/84/569556084.db2.gz BUOVQTHKJRXVMU-CQSZACIVSA-N 0 0 432.546 2.773 50 0 IFAARN Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)n2n1 ZINC000009647350 569556434 /nfs/dbraw/zinc/55/64/34/569556434.db2.gz VXFHPEZEGSNUKO-NVXWUHKLSA-N 0 0 444.582 2.797 50 0 IFAARN COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 ZINC000009660581 569556891 /nfs/dbraw/zinc/55/68/91/569556891.db2.gz SLHKUARILGDUNX-UHFFFAOYSA-N 0 0 430.464 2.562 50 0 IFAARN O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)Nc1ccc(F)cc1F ZINC000009660784 569556956 /nfs/dbraw/zinc/55/69/56/569556956.db2.gz IFTVPKPEWVCMEV-UHFFFAOYSA-N 0 0 446.429 2.629 50 0 IFAARN O=C(c1cc2ccccc2oc1=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000009661071 569556981 /nfs/dbraw/zinc/55/69/81/569556981.db2.gz QUTJKWWJNWRFFY-UHFFFAOYSA-N 0 0 431.448 2.520 50 0 IFAARN COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)NCCc2cccc(OC)c2)c1 ZINC000009661613 569557064 /nfs/dbraw/zinc/55/70/64/569557064.db2.gz LHYSFEJAAKAHTN-UHFFFAOYSA-N 0 0 446.507 2.766 50 0 IFAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)OCn1nnc2ccccc2c1=O ZINC000009662244 569557102 /nfs/dbraw/zinc/55/71/02/569557102.db2.gz VHIPAENEEVBGCQ-UHFFFAOYSA-N 0 0 442.431 2.522 50 0 IFAARN Cc1oc2cc(O[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 ZINC000009666036 569557639 /nfs/dbraw/zinc/55/76/39/569557639.db2.gz BMKTXQDWQOBCMN-NVXWUHKLSA-N 0 0 441.505 2.839 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000009668037 569557919 /nfs/dbraw/zinc/55/79/19/569557919.db2.gz WGBKPCTXBQBGBY-UHFFFAOYSA-N 0 0 447.532 2.581 50 0 IFAARN CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 ZINC000009670001 569558249 /nfs/dbraw/zinc/55/82/49/569558249.db2.gz RDXADCOMLIOFHK-LLVKDONJSA-N 0 0 435.527 2.818 50 0 IFAARN C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009671991 569558700 /nfs/dbraw/zinc/55/87/00/569558700.db2.gz ZBXRJIHPGDOENY-INIZCTEOSA-N 0 0 429.542 2.635 50 0 IFAARN Cc1cc(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2ccccc12 ZINC000009672699 569558840 /nfs/dbraw/zinc/55/88/40/569558840.db2.gz DKWCSEGHEGZSTA-IRXDYDNUSA-N 0 0 434.583 2.830 50 0 IFAARN CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000009675815 569559353 /nfs/dbraw/zinc/55/93/53/569559353.db2.gz BBPNKOSJWWYMRY-UHFFFAOYSA-N 0 0 429.542 2.966 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(Br)o3)CC2)cc1 ZINC000009676741 569559509 /nfs/dbraw/zinc/55/95/09/569559509.db2.gz VTCWZZDLVRHXAC-UHFFFAOYSA-N 0 0 443.319 2.634 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc4c(c3)OCO4)cc2C[C@@H]1C ZINC000009677061 569559530 /nfs/dbraw/zinc/55/95/30/569559530.db2.gz PRACCKCOZMFGIK-AWEZNQCLSA-N 0 0 444.509 2.905 50 0 IFAARN COc1ccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681752 569560254 /nfs/dbraw/zinc/56/02/54/569560254.db2.gz DFUBOQKSQIQAIL-KRWDZBQOSA-N 0 0 432.480 2.795 50 0 IFAARN COc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681754 569560271 /nfs/dbraw/zinc/56/02/71/569560271.db2.gz DFUBOQKSQIQAIL-QGZVFWFLSA-N 0 0 432.480 2.795 50 0 IFAARN CC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCCCC2)O3)cc1 ZINC000009683488 569560344 /nfs/dbraw/zinc/56/03/44/569560344.db2.gz VGYFUZAQYMVUAP-OAQYLSRUSA-N 0 0 444.509 2.842 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cc3c(C)nn(CC(C)C)c3s2)NC(=O)N[C@H]1C ZINC000009690601 569560974 /nfs/dbraw/zinc/56/09/74/569560974.db2.gz QLESZEAAIBTNAP-LBPRGKRZSA-N 0 0 434.518 2.738 50 0 IFAARN CCCN1CCc2c(sc(NC(=O)c3cccc(S(=O)(=O)CC)c3)c2C(N)=O)C1 ZINC000009707745 569561651 /nfs/dbraw/zinc/56/16/51/569561651.db2.gz BPJCAIFBRLTIPB-UHFFFAOYSA-N 0 0 435.571 2.661 50 0 IFAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009708715 569561945 /nfs/dbraw/zinc/56/19/45/569561945.db2.gz SBOJBRCXBZPAKR-LJQANCHMSA-N 0 0 433.464 2.910 50 0 IFAARN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 ZINC000009708719 569561969 /nfs/dbraw/zinc/56/19/69/569561969.db2.gz IRYATVAQTRIVLS-HXUWFJFHSA-N 0 0 433.464 2.925 50 0 IFAARN CC(=O)Cn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccc(C)cc2)n(C)c1=O ZINC000009713246 569562531 /nfs/dbraw/zinc/56/25/31/569562531.db2.gz JEOTTZVSBBTBMJ-UHFFFAOYSA-N 0 0 427.464 2.703 50 0 IFAARN CC(=O)Cn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccccc2C)n(C)c1=O ZINC000009713219 569562537 /nfs/dbraw/zinc/56/25/37/569562537.db2.gz OJNJQVDUWDQKOB-UHFFFAOYSA-N 0 0 427.464 2.703 50 0 IFAARN Cc1cc(C)cc(-n2c(-c3ccccc3)cn3c4c(nc32)n(C)c(=O)n(CCCO)c4=O)c1 ZINC000009713250 569562538 /nfs/dbraw/zinc/56/25/38/569562538.db2.gz XMDUQXZYKAFLCX-UHFFFAOYSA-N 0 0 443.507 2.805 50 0 IFAARN COCCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccccc2C)n(C)c1=O ZINC000009713210 569562543 /nfs/dbraw/zinc/56/25/43/569562543.db2.gz AABGOKIBSRHDKQ-UHFFFAOYSA-N 0 0 429.480 2.760 50 0 IFAARN CCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccc(OC)cc2OC)n(C)c1=O ZINC000009713328 569562593 /nfs/dbraw/zinc/56/25/93/569562593.db2.gz YYLJTPHWJGJWHU-UHFFFAOYSA-N 0 0 445.479 2.843 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(CSc1nnc(-c3cccc(OC)c3)n1C)[nH]c2=O ZINC000009716145 569563159 /nfs/dbraw/zinc/56/31/59/569563159.db2.gz VENKTHAQZNXJJJ-UHFFFAOYSA-N 0 0 437.481 2.806 50 0 IFAARN O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000070921335 569563295 /nfs/dbraw/zinc/56/32/95/569563295.db2.gz HBOQBYRZQBVPFW-UHFFFAOYSA-N 0 0 443.447 2.811 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)NCC3CCN(C(=O)c4ccncc4)CC3)CC2=O)cc1C ZINC000070926146 569563547 /nfs/dbraw/zinc/56/35/47/569563547.db2.gz RDZLEIAMPKTDSP-NRFANRHFSA-N 0 0 434.540 2.720 50 0 IFAARN COc1cc(/C=C/C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc(OC)c1OC ZINC000070927060 569563570 /nfs/dbraw/zinc/56/35/70/569563570.db2.gz ZQMSMYWVLYMQMW-VOTSOKGWSA-N 0 0 439.512 2.789 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009724370 569563738 /nfs/dbraw/zinc/56/37/38/569563738.db2.gz SPKMIQJRPBJIEN-UHFFFAOYSA-N 0 0 448.570 2.976 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NC[C@H](C)c4ccccc4)nc(C)n3n2)cc1 ZINC000009727920 569564057 /nfs/dbraw/zinc/56/40/57/569564057.db2.gz ZPKPQCVEKCULGT-INIZCTEOSA-N 0 0 431.496 2.795 50 0 IFAARN COc1cccc2cc(C(=O)NCC3CCN(S(=O)(=O)c4cccnc4)CC3)oc21 ZINC000070933467 569564157 /nfs/dbraw/zinc/56/41/57/569564157.db2.gz YPRGFNZXPRJBBI-UHFFFAOYSA-N 0 0 429.498 2.667 50 0 IFAARN O=C(Nc1ccccc1N1CCCC1=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000009730362 569564470 /nfs/dbraw/zinc/56/44/70/569564470.db2.gz LYRZQGBKSHDCOJ-OAHLLOKOSA-N 0 0 433.555 2.914 50 0 IFAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000009733745 569564757 /nfs/dbraw/zinc/56/47/57/569564757.db2.gz GWEUNFGQVWJZKB-CQSZACIVSA-N 0 0 441.550 2.811 50 0 IFAARN COc1cc(NC(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)cc(OC)c1OC ZINC000009737564 569564779 /nfs/dbraw/zinc/56/47/79/569564779.db2.gz SRQFEDGKYMYSDY-UHFFFAOYSA-N 0 0 427.457 2.859 50 0 IFAARN NC(=O)c1nc(-c2ccc(Cl)cc2Cl)nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 ZINC000009739506 569565010 /nfs/dbraw/zinc/56/50/10/569565010.db2.gz QVIDSZGDSNGSIR-UHFFFAOYSA-N 0 0 444.234 2.910 50 0 IFAARN COc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1S(=O)(=O)NC1CC1 ZINC000009745268 569565661 /nfs/dbraw/zinc/56/56/61/569565661.db2.gz WFBOYMGKOMIXDT-UHFFFAOYSA-N 0 0 429.498 2.515 50 0 IFAARN COc1ccc(NC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)cc1OC ZINC000009748882 569565965 /nfs/dbraw/zinc/56/59/65/569565965.db2.gz JNLCVJJYRAUGTB-UHFFFAOYSA-N 0 0 432.278 2.941 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OCC(=O)NCc1ccccc1 ZINC000009761853 569566319 /nfs/dbraw/zinc/56/63/19/569566319.db2.gz MFNIBTUEBFUZJG-UHFFFAOYSA-N 0 0 441.871 2.758 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)NCc1ccc(F)cc1 ZINC000009761857 569566367 /nfs/dbraw/zinc/56/63/67/569566367.db2.gz SJWPITPEAXILPL-UHFFFAOYSA-N 0 0 439.443 2.552 50 0 IFAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000009781743 569567616 /nfs/dbraw/zinc/56/76/16/569567616.db2.gz QRYVEDKTMXKLTG-FQEVSTJZSA-N 0 0 432.480 2.628 50 0 IFAARN Cc1ccc2c(COC(=O)CCCNC3=NS(=O)(=O)c4ccccc43)cc(=O)oc2c1 ZINC000009787302 569567960 /nfs/dbraw/zinc/56/79/60/569567960.db2.gz ZKXWOKQFWRSZFV-UHFFFAOYSA-N 0 0 440.477 2.664 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(NC[C@H]3CCCO3)s1)CCC2 ZINC000009789046 569567973 /nfs/dbraw/zinc/56/79/73/569567973.db2.gz QVLNGGWXYAZRJH-SECBINFHSA-N 0 0 439.588 2.509 50 0 IFAARN C[C@H](C(=O)NCCN1C(=O)CSC1=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009788827 569567984 /nfs/dbraw/zinc/56/79/84/569567984.db2.gz KWQZCSADZVRBAH-CYBMUJFWSA-N 0 0 432.571 2.676 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000009788916 569567999 /nfs/dbraw/zinc/56/79/99/569567999.db2.gz OJWLNWIUYHGBFF-UHFFFAOYSA-N 0 0 444.557 2.942 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000009789606 569568140 /nfs/dbraw/zinc/56/81/40/569568140.db2.gz UDVNLWASYOQGFO-UHFFFAOYSA-N 0 0 441.509 2.743 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009798842 569568544 /nfs/dbraw/zinc/56/85/44/569568544.db2.gz KNTODJNRNNOTJY-QGZVFWFLSA-N 0 0 432.498 2.558 50 0 IFAARN CCn1c2ccccc2c2nnc(SCC(=O)N[C@@H](Cc3ccccc3)C(=O)OC)nc21 ZINC000009805875 569568856 /nfs/dbraw/zinc/56/88/56/569568856.db2.gz IEZQCGYQPINWLW-KRWDZBQOSA-N 0 0 449.536 2.992 50 0 IFAARN COc1cc(C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000009806166 569568867 /nfs/dbraw/zinc/56/88/67/569568867.db2.gz XNSANHSZTMOTDZ-KRWDZBQOSA-N 0 0 448.541 2.604 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(F)c2)c(C)c1 ZINC000009806390 569568900 /nfs/dbraw/zinc/56/89/00/569568900.db2.gz GPRDQLYGIDAWKN-IBGZPJMESA-N 0 0 447.532 2.659 50 0 IFAARN CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000009807338 569568988 /nfs/dbraw/zinc/56/89/88/569568988.db2.gz HVFIHJIAHRGIPK-FQEVSTJZSA-N 0 0 443.569 2.774 50 0 IFAARN Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)c(C)n1C1CC1 ZINC000009814295 569569139 /nfs/dbraw/zinc/56/91/39/569569139.db2.gz MKTDGINEYUIGEN-UHFFFAOYSA-N 0 0 445.541 2.585 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 ZINC000009818307 569569333 /nfs/dbraw/zinc/56/93/33/569569333.db2.gz WPLDLABBWSEUBU-UHFFFAOYSA-N 0 0 443.554 2.582 50 0 IFAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)NC(=O)[C@H]1COc2ccccc2O1 ZINC000009819791 569569406 /nfs/dbraw/zinc/56/94/06/569569406.db2.gz UBTSHXMUWKPFQD-OAHLLOKOSA-N 0 0 442.522 2.916 50 0 IFAARN CC(C)c1ccc(OCC(=O)NCCn2ncc3c2ncn(Cc2ccccc2)c3=O)cc1 ZINC000009822667 569569573 /nfs/dbraw/zinc/56/95/73/569569573.db2.gz QHVOUTCGRZMSDL-UHFFFAOYSA-N 0 0 445.523 2.960 50 0 IFAARN CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)cc1OCC ZINC000009828367 569569749 /nfs/dbraw/zinc/56/97/49/569569749.db2.gz KPLXPRZWDARONI-UHFFFAOYSA-N 0 0 432.542 2.602 50 0 IFAARN CCc1nnc(NC(=O)CSc2nnc3ccc(-c4cccc(OC)c4)nn32)s1 ZINC000009829143 569569964 /nfs/dbraw/zinc/56/99/64/569569964.db2.gz FHXQUPWWRXUDJP-UHFFFAOYSA-N 0 0 427.515 2.945 50 0 IFAARN CCOc1ccc(-n2c(C)cn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1 ZINC000009829402 569570047 /nfs/dbraw/zinc/57/00/47/569570047.db2.gz KVVXGHSQVUYWKH-UHFFFAOYSA-N 0 0 429.480 2.894 50 0 IFAARN CCOCCCNC(=O)c1cnc2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1O ZINC000009833856 569570414 /nfs/dbraw/zinc/57/04/14/569570414.db2.gz XUFZPBSTODFFIV-UHFFFAOYSA-N 0 0 447.488 2.624 50 0 IFAARN CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1ccccc1 ZINC000009857878 569571673 /nfs/dbraw/zinc/57/16/73/569571673.db2.gz BNZPBBAODNVLIZ-UHFFFAOYSA-N 0 0 426.498 2.861 50 0 IFAARN CCOc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000009857544 569571678 /nfs/dbraw/zinc/57/16/78/569571678.db2.gz WWTFGCMGPOYVOZ-UHFFFAOYSA-N 0 0 438.875 2.727 50 0 IFAARN O=C(CSc1nnnn1-c1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000009868019 569572259 /nfs/dbraw/zinc/57/22/59/569572259.db2.gz DICQUAFWYYYJEO-UHFFFAOYSA-N 0 0 446.418 2.993 50 0 IFAARN NC(=O)c1ccc(N2CCCC2)c(NC(=O)CCNC(=O)CCC(=O)c2cccs2)c1 ZINC000009905818 569573059 /nfs/dbraw/zinc/57/30/59/569573059.db2.gz YTJAJGGWCWKGNU-UHFFFAOYSA-N 0 0 442.541 2.555 50 0 IFAARN C[C@H](NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000009913477 569573314 /nfs/dbraw/zinc/57/33/14/569573314.db2.gz LFFHNCGRGHIJDZ-INIZCTEOSA-N 0 0 437.521 2.608 50 0 IFAARN O=C(CNc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000009913254 569573350 /nfs/dbraw/zinc/57/33/50/569573350.db2.gz KDTKQCKDKRRASK-UHFFFAOYSA-N 0 0 431.514 2.683 50 0 IFAARN CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccccc1 ZINC000009920250 569573454 /nfs/dbraw/zinc/57/34/54/569573454.db2.gz MPHUOEJTXHCHJX-UHFFFAOYSA-N 0 0 448.589 2.725 50 0 IFAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000071279796 569573521 /nfs/dbraw/zinc/57/35/21/569573521.db2.gz FZRIUXRLGKDXKO-KGLIPLIRSA-N 0 0 435.502 2.701 50 0 IFAARN COc1ccccc1CNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000009936224 569573825 /nfs/dbraw/zinc/57/38/25/569573825.db2.gz YJSALCGFZZYCAN-UHFFFAOYSA-N 0 0 429.476 2.871 50 0 IFAARN O=C(Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009949190 569574224 /nfs/dbraw/zinc/57/42/24/569574224.db2.gz KFBFQZZUMHIKMM-OAQYLSRUSA-N 0 0 439.443 2.676 50 0 IFAARN CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000009949318 569574294 /nfs/dbraw/zinc/57/42/94/569574294.db2.gz QGEMHWHHGFXMSY-UHFFFAOYSA-N 0 0 438.513 2.919 50 0 IFAARN COc1ccccc1NC(=O)CN1C2=C(C(=O)OC2)[C@H](c2ccc(SC)cc2)NC1=O ZINC000071326800 569575041 /nfs/dbraw/zinc/57/50/41/569575041.db2.gz CPFLDDFNHOHFDM-FQEVSTJZSA-N 0 0 439.493 2.933 50 0 IFAARN COc1cc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3OC)c2C)cc(OC)c1 ZINC000071327265 569575240 /nfs/dbraw/zinc/57/52/40/569575240.db2.gz UNNVGODEUPWGEC-UHFFFAOYSA-N 0 0 425.445 2.503 50 0 IFAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)nnn1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000071327477 569575342 /nfs/dbraw/zinc/57/53/42/569575342.db2.gz AMRCDNVPUYJPLY-UHFFFAOYSA-N 0 0 441.875 2.846 50 0 IFAARN CCOC(=O)c1cnc(SCC(=O)OCc2cc(C(C)=O)ccc2OCC)nc1N ZINC000009960780 569575439 /nfs/dbraw/zinc/57/54/39/569575439.db2.gz YABGIVIBFDXXIE-UHFFFAOYSA-N 0 0 433.486 2.672 50 0 IFAARN O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1ccccc1F ZINC000071328418 569575517 /nfs/dbraw/zinc/57/55/17/569575517.db2.gz NIVYBNXTGZEUMY-UHFFFAOYSA-N 0 0 437.387 2.570 50 0 IFAARN CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000071328801 569575592 /nfs/dbraw/zinc/57/55/92/569575592.db2.gz SQUUKKPAXCRMNW-QGZVFWFLSA-N 0 0 439.516 2.506 50 0 IFAARN C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000071333725 569575676 /nfs/dbraw/zinc/57/56/76/569575676.db2.gz DUAGQMPOMINUTI-OAHLLOKOSA-N 0 0 428.562 2.666 50 0 IFAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000009980124 569576430 /nfs/dbraw/zinc/57/64/30/569576430.db2.gz AECQWYADVGEEMG-HNNXBMFYSA-N 0 0 436.555 2.649 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000009985006 569576648 /nfs/dbraw/zinc/57/66/48/569576648.db2.gz YXCQSDGBYHLQFL-FQEVSTJZSA-N 0 0 428.510 2.890 50 0 IFAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000010031440 569577324 /nfs/dbraw/zinc/57/73/24/569577324.db2.gz PQJPPWIGGYXTQD-KRWDZBQOSA-N 0 0 430.921 2.806 50 0 IFAARN O=S(=O)(c1cccc(-c2nnc(SCCO)n2-c2ccccc2)c1)N1CCCC1 ZINC000010034984 569577396 /nfs/dbraw/zinc/57/73/96/569577396.db2.gz TXNVPJDRKIDHFU-UHFFFAOYSA-N 0 0 430.555 2.803 50 0 IFAARN Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCCNc1ccc(Br)cc1 ZINC000010049430 569577502 /nfs/dbraw/zinc/57/75/02/569577502.db2.gz HTEVPZFXUWDNAY-UHFFFAOYSA-N 0 0 445.321 2.558 50 0 IFAARN CCN(Cc1nc(-c2ccc(C)cc2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010043902 569577510 /nfs/dbraw/zinc/57/75/10/569577510.db2.gz PUESJAVERHEVFZ-UHFFFAOYSA-N 0 0 432.484 2.552 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000010095352 569577754 /nfs/dbraw/zinc/57/77/54/569577754.db2.gz YRVHJCNTOYCVOS-UHFFFAOYSA-N 0 0 430.530 2.629 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)c(OC)c1 ZINC000010131829 569578030 /nfs/dbraw/zinc/57/80/30/569578030.db2.gz WLGABZRQELKFDJ-UHFFFAOYSA-N 0 0 425.441 2.583 50 0 IFAARN Cc1nn(C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 ZINC000010142239 569578102 /nfs/dbraw/zinc/57/81/02/569578102.db2.gz HQDSPYZLIPDPJG-UHFFFAOYSA-N 0 0 446.617 2.736 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O ZINC000010167002 569578286 /nfs/dbraw/zinc/57/82/86/569578286.db2.gz ZWNSKOZTFYHQOZ-UHFFFAOYSA-N 0 0 449.813 2.951 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000010173251 569578313 /nfs/dbraw/zinc/57/83/13/569578313.db2.gz NDOOMUHJLROTES-UHFFFAOYSA-N 0 0 444.557 2.662 50 0 IFAARN O=C(Nc1nnc(-c2ccco2)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187232 569578569 /nfs/dbraw/zinc/57/85/69/569578569.db2.gz GRKARWRIGLAKIL-VIFPVBQESA-N 0 0 428.879 2.836 50 0 IFAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000010209866 569578982 /nfs/dbraw/zinc/57/89/82/569578982.db2.gz ZVODDDFZBICPCS-CYBMUJFWSA-N 0 0 447.538 2.690 50 0 IFAARN COc1ccccc1[C@H](C)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000010213430 569579044 /nfs/dbraw/zinc/57/90/44/569579044.db2.gz LJYBNPVMCIEQQV-INIZCTEOSA-N 0 0 448.541 2.792 50 0 IFAARN Cc1cccc2sc(N3CCN(C(=O)Cc4ccc(S(C)(=O)=O)cc4)CC3)nc21 ZINC000010252860 569579917 /nfs/dbraw/zinc/57/99/17/569579917.db2.gz OLPVPAQZJWXDIX-UHFFFAOYSA-N 0 0 429.567 2.900 50 0 IFAARN O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCN(c2nccs2)CC1 ZINC000010270528 569580032 /nfs/dbraw/zinc/58/00/32/569580032.db2.gz VVAKNAFAPDTJQT-UHFFFAOYSA-N 0 0 448.595 2.646 50 0 IFAARN CC(=O)[C@@H](C)n1c(=O)c2c(nc3n2cc(C)n3-c2ccc(C(F)(F)F)cc2)n(C)c1=O ZINC000010271868 569580071 /nfs/dbraw/zinc/58/00/71/569580071.db2.gz QEDREHWDRYOOIK-LLVKDONJSA-N 0 0 433.390 2.616 50 0 IFAARN CC(=O)[C@H](C)n1c(=O)c2c(nc3n2cc(C)n3-c2ccc(C(F)(F)F)cc2)n(C)c1=O ZINC000010271867 569580095 /nfs/dbraw/zinc/58/00/95/569580095.db2.gz QEDREHWDRYOOIK-NSHDSACASA-N 0 0 433.390 2.616 50 0 IFAARN CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000010274120 569580341 /nfs/dbraw/zinc/58/03/41/569580341.db2.gz RPWVKUKURKRXSQ-OAHLLOKOSA-N 0 0 449.939 2.509 50 0 IFAARN Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCCC1 ZINC000010275791 569580425 /nfs/dbraw/zinc/58/04/25/569580425.db2.gz KTASAYHOHOJIGZ-GOSISDBHSA-N 0 0 430.526 2.739 50 0 IFAARN CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(OC)c(OC)c4)c3)c2)n1 ZINC000071768522 569580744 /nfs/dbraw/zinc/58/07/44/569580744.db2.gz SVKIITVCXIOYRS-UHFFFAOYSA-N 0 0 434.456 2.827 50 0 IFAARN O=C(COC(=O)c1ccc(-n2cccn2)cc1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000010349131 569581443 /nfs/dbraw/zinc/58/14/43/569581443.db2.gz AEZHUVNJDGGQQT-UHFFFAOYSA-N 0 0 435.408 2.664 50 0 IFAARN Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000010386669 569581821 /nfs/dbraw/zinc/58/18/21/569581821.db2.gz JTOYGRKJIPZZLY-UHFFFAOYSA-N 0 0 436.555 2.825 50 0 IFAARN O=C(CNC(=O)c1ccc(OC(F)F)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010446543 569582242 /nfs/dbraw/zinc/58/22/42/569582242.db2.gz PKAKGIMXMKKIER-UHFFFAOYSA-N 0 0 431.439 2.895 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000010455477 569582356 /nfs/dbraw/zinc/58/23/56/569582356.db2.gz LFJLKACUMVOTEJ-UHFFFAOYSA-N 0 0 447.296 2.753 50 0 IFAARN CCn1c2ccccc2n(CC(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)c1=O ZINC000010512938 569582643 /nfs/dbraw/zinc/58/26/43/569582643.db2.gz GGPISJHIMNCACC-UHFFFAOYSA-N 0 0 448.479 2.680 50 0 IFAARN O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1nc2ccccc2s1 ZINC000032073933 569583223 /nfs/dbraw/zinc/58/32/23/569583223.db2.gz PHUPWIAPYFNALQ-CYBMUJFWSA-N 0 0 426.473 2.933 50 0 IFAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000024975932 569583369 /nfs/dbraw/zinc/58/33/69/569583369.db2.gz LRXAWOVJMDFUNG-UHFFFAOYSA-N 0 0 428.392 2.998 50 0 IFAARN COC(=O)c1nc(NC(=O)c2nn(C)c(=O)c3ccccc32)sc1CCc1ccccc1 ZINC000072406310 569583775 /nfs/dbraw/zinc/58/37/75/569583775.db2.gz ZZXARODRIKJGEE-UHFFFAOYSA-N 0 0 448.504 3.214 50 0 IFAARN COCCn1cc(C(=O)Nc2nc(C(=O)OC)c(C(C)C)s2)c2ccccc2c1=O ZINC000095473422 569583917 /nfs/dbraw/zinc/58/39/17/569583917.db2.gz SIRGXVVVKZPBCT-UHFFFAOYSA-N 0 0 429.498 3.267 50 0 IFAARN CCOC(=O)c1sc(NC(=O)Cn2nc(-c3ccc(SC)cc3)ccc2=O)nc1C ZINC000071280883 569584388 /nfs/dbraw/zinc/58/43/88/569584388.db2.gz CCZNPSGMNUKTSP-UHFFFAOYSA-N 0 0 444.538 3.213 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)NCCC(=O)Nc3nc4ccccc4s3)CC2=O)cc1 ZINC000032097068 569584600 /nfs/dbraw/zinc/58/46/00/569584600.db2.gz KURBVMYYYSCJDQ-AWEZNQCLSA-N 0 0 438.509 2.803 50 0 IFAARN COc1cccc(N2C[C@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)c1 ZINC000009095589 569584767 /nfs/dbraw/zinc/58/47/67/569584767.db2.gz IWSBBZGIVWSLDJ-GFCCVEGCSA-N 0 0 445.522 2.700 50 0 IFAARN CNC(=O)c1cccc(-c2noc(C3CN(C(=O)CSc4ccc(F)cc4)C3)n2)c1 ZINC000077099588 569585210 /nfs/dbraw/zinc/58/52/10/569585210.db2.gz FMKUXSMWWRTEBM-UHFFFAOYSA-N 0 0 426.473 2.953 50 0 IFAARN CC(C)S(=O)(=O)c1ccc(CC(=O)NCC2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000077099717 569585253 /nfs/dbraw/zinc/58/52/53/569585253.db2.gz KUFGWZQFQMYSDX-UHFFFAOYSA-N 0 0 432.542 2.673 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC000077100429 569585400 /nfs/dbraw/zinc/58/54/00/569585400.db2.gz IPCQXYVCXCBDDI-UHFFFAOYSA-N 0 0 448.405 2.532 50 0 IFAARN O=C(Nc1cc(N2CCOCC2)ncn1)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000077100883 569585479 /nfs/dbraw/zinc/58/54/79/569585479.db2.gz FALBUNHGUVAGSB-LJQANCHMSA-N 0 0 445.527 2.625 50 0 IFAARN O=C(NC[C@H](O)c1ccoc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000077101350 569585596 /nfs/dbraw/zinc/58/55/96/569585596.db2.gz OOWLLHFAVVFDPH-SFHVURJKSA-N 0 0 439.493 2.722 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)NCCNc1cc(Nc2ccccn2)nc(C)n1 ZINC000077101397 569585624 /nfs/dbraw/zinc/58/56/24/569585624.db2.gz OTGBYQMWWIMCBF-UHFFFAOYSA-N 0 0 428.518 2.631 50 0 IFAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(F)c(Cl)c1)CC2)[C@H]1CCCO1 ZINC000077192076 569586010 /nfs/dbraw/zinc/58/60/10/569586010.db2.gz UWQPYTJUCIEVSJ-CQSZACIVSA-N 0 0 445.925 2.800 50 0 IFAARN O=C(C1CN(c2nc3c(cccc3C(F)(F)F)s2)C1)N1CCN(c2ncccn2)CC1 ZINC000077191808 569585958 /nfs/dbraw/zinc/58/59/58/569585958.db2.gz NAMVBNGMVSAQSS-UHFFFAOYSA-N 0 0 448.474 2.890 50 0 IFAARN COc1cc(COCC2CCN(CC(=O)Nc3ccc(C(N)=O)cc3)CC2)cc(OC)c1 ZINC000077191455 569586002 /nfs/dbraw/zinc/58/60/02/569586002.db2.gz KAJVOCHSKAVWSX-UHFFFAOYSA-N 0 0 441.528 2.670 50 0 IFAARN COc1ccc(/C=C/C(=O)NCCn2nc(C3CC3)n(-c3ccccc3)c2=O)cc1OC ZINC000077197965 569586233 /nfs/dbraw/zinc/58/62/33/569586233.db2.gz DJTGTGGUNVVDNN-UKTHLTGXSA-N 0 0 434.496 2.758 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)Cn1cc(-c2nc(-c3cnccn3)no2)ccc1=O ZINC000077199976 569586323 /nfs/dbraw/zinc/58/63/23/569586323.db2.gz GHEFQQPYGJVQMP-UHFFFAOYSA-N 0 0 438.831 2.656 50 0 IFAARN CC[C@H](C(=O)NCc1ccc(C)cc1)n1cc(-c2nc(-c3cnccn3)no2)ccc1=O ZINC000077199990 569586342 /nfs/dbraw/zinc/58/63/42/569586342.db2.gz KDXDBKBYEUFJQA-LJQANCHMSA-N 0 0 430.468 2.931 50 0 IFAARN O=C(COc1ccc2c(c1)OCO2)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 ZINC000077200535 569586432 /nfs/dbraw/zinc/58/64/32/569586432.db2.gz OJHGTDXQHLUOGZ-UHFFFAOYSA-N 0 0 433.468 2.549 50 0 IFAARN CC1=NS(=O)(=O)c2cc(S(=O)(=O)CC(=O)Nc3ccc(C(C)C)cc3)ccc2N1 ZINC000021932262 569587180 /nfs/dbraw/zinc/58/71/80/569587180.db2.gz PTKMYFOYXUJXFD-UHFFFAOYSA-N 0 0 435.527 2.755 50 0 IFAARN Cc1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1C(=O)NCCCN1CCCC1=O ZINC000003048050 569587326 /nfs/dbraw/zinc/58/73/26/569587326.db2.gz OGUWUHHASWCXHQ-UHFFFAOYSA-N 0 0 447.557 2.658 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1cc2c(n1)ncn(Cc1ccc(F)cc1)c2=O ZINC000033287848 569587386 /nfs/dbraw/zinc/58/73/86/569587386.db2.gz XWXHJYGLMUYPOQ-UHFFFAOYSA-N 0 0 449.442 2.596 50 0 IFAARN CN1OC[C@@H](S(=O)(=O)NCc2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000034738655 569587549 /nfs/dbraw/zinc/58/75/49/569587549.db2.gz GUCXQRCXTYLZAZ-MSOLQXFVSA-N 0 0 444.431 2.840 50 0 IFAARN O=C(CN1CCN(C(=O)c2csc(Nc3ccccc3F)n2)CC1)NCc1ccco1 ZINC000034831516 569587619 /nfs/dbraw/zinc/58/76/19/569587619.db2.gz DPCFSEPCAUQOTL-UHFFFAOYSA-N 0 0 443.504 2.693 50 0 IFAARN O[C@@H](CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1)CN1CCOCC1 ZINC000036147264 569587911 /nfs/dbraw/zinc/58/79/11/569587911.db2.gz YMVKTNYDQYXEBY-PKTZIBPZSA-N 0 0 427.520 2.514 50 0 IFAARN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1cccnc1 ZINC000006244601 193893866 /nfs/dbraw/zinc/89/38/66/193893866.db2.gz GCKLQBDEJCVOFX-UHFFFAOYSA-N 0 0 425.466 2.687 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)NC2CCCCC2)C1 ZINC000009830720 193897566 /nfs/dbraw/zinc/89/75/66/193897566.db2.gz ORYQUAXNGXDOMN-IYBDPMFKSA-N 0 0 449.573 2.710 50 0 IFAARN CC1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)CC1 ZINC000009831193 193898561 /nfs/dbraw/zinc/89/85/61/193898561.db2.gz URXXTKKOFDPTCV-UHFFFAOYSA-N 0 0 433.574 2.667 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1 ZINC000096231782 193939021 /nfs/dbraw/zinc/93/90/21/193939021.db2.gz RRBXOCIPZLYEQC-INIZCTEOSA-N 0 0 428.514 2.522 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000055074173 193934360 /nfs/dbraw/zinc/93/43/60/193934360.db2.gz QFHKAFCOVHOPRA-QFIPXVFZSA-N 0 0 443.494 2.725 50 0 IFAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(CS(=O)(=O)N2CCCC2)c1 ZINC000223219629 193953621 /nfs/dbraw/zinc/95/36/21/193953621.db2.gz CTEHDNJOIKSINA-OAHLLOKOSA-N 0 0 432.498 2.747 50 0 IFAARN O=C(CCC1CCCCC1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000009569861 132235086 /nfs/dbraw/zinc/23/50/86/132235086.db2.gz ZALDGTRMVYXKNL-UHFFFAOYSA-N 0 0 425.570 2.754 50 0 IFAARN O=C(c1cccc(F)c1)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 ZINC000009849647 132241845 /nfs/dbraw/zinc/24/18/45/132241845.db2.gz ARSHPSURHPQNHH-UHFFFAOYSA-N 0 0 437.866 2.965 50 0 IFAARN CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000001444206 132245596 /nfs/dbraw/zinc/24/55/96/132245596.db2.gz JLTUVXRREGKHGO-GOSISDBHSA-N 0 0 426.542 2.940 50 0 IFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000002639431 132255675 /nfs/dbraw/zinc/25/56/75/132255675.db2.gz LHGYTJDRSKZZAJ-QHCPKHFHSA-N 0 0 441.597 2.729 50 0 aggregator IFAARN Cc1cc(C)cc(N([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 ZINC000002890131 132258400 /nfs/dbraw/zinc/25/84/00/132258400.db2.gz QJSCRYQJBUXXDI-SFHVURJKSA-N 0 0 433.549 2.946 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccccc1N1CCOCC1 ZINC000003363596 132264700 /nfs/dbraw/zinc/26/47/00/132264700.db2.gz SCJXIAGRDWPMIS-UHFFFAOYSA-N 0 0 449.598 2.941 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)n2N)cc1OC ZINC000003373154 132264888 /nfs/dbraw/zinc/26/48/88/132264888.db2.gz AFLURPFIHQWHSM-UHFFFAOYSA-N 0 0 425.514 2.748 50 0 IFAARN Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2sc3c(c2c1=O)CCCC3 ZINC000003549146 132265954 /nfs/dbraw/zinc/26/59/54/132265954.db2.gz AFHBHMJFBRASLZ-UHFFFAOYSA-N 0 0 440.550 2.951 50 0 IFAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000003534275 132265978 /nfs/dbraw/zinc/26/59/78/132265978.db2.gz CFKXLFQJDPRJOI-DEOSSOPVSA-N 0 0 432.480 2.534 50 0 IFAARN COc1ccc(C(=O)COC(=O)CN2CC(=O)Oc3ccccc32)cc1Br ZINC000004082794 132269569 /nfs/dbraw/zinc/26/95/69/132269569.db2.gz OUCMMMUWSKLBRL-UHFFFAOYSA-N 0 0 434.242 2.609 50 0 aggregator IFAARN CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(C)=O)CC2)cc1 ZINC000004414479 132271911 /nfs/dbraw/zinc/27/19/11/132271911.db2.gz WKUNAASXPSEKHQ-UHFFFAOYSA-N 0 0 425.485 2.793 50 0 IFAARN CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(OC)cc2)c1 ZINC000004712217 132273018 /nfs/dbraw/zinc/27/30/18/132273018.db2.gz UUKOQFIGJVTOBC-UHFFFAOYSA-N 0 0 425.485 2.793 50 0 IFAARN COc1cc2c(C(=O)N3CCN(c4ccccc4F)CC3)cn(C)c(=O)c2cc1OC ZINC000004762553 132273637 /nfs/dbraw/zinc/27/36/37/132273637.db2.gz KDEQSNRIYNFXFX-UHFFFAOYSA-N 0 0 425.460 2.657 50 0 IFAARN CCCCCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000005042620 132274790 /nfs/dbraw/zinc/27/47/90/132274790.db2.gz QBWARFHZPUDMOG-UHFFFAOYSA-N 0 0 430.553 2.725 50 0 IFAARN COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000006073652 132275879 /nfs/dbraw/zinc/27/58/79/132275879.db2.gz DPWMHMRBKXYYIA-UHFFFAOYSA-N 0 0 445.903 2.813 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC000007451867 132280415 /nfs/dbraw/zinc/28/04/15/132280415.db2.gz AWLXUSDENRAQPF-IBGZPJMESA-N 0 0 425.504 2.574 50 0 IFAARN Cc1csc2nc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(=O)n12 ZINC000008594586 132284660 /nfs/dbraw/zinc/28/46/60/132284660.db2.gz WKHRSFUPVKXEPM-AWEZNQCLSA-N 0 0 432.571 2.581 50 0 IFAARN CCn1c(=O)cc(OCC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)c2ccccc21 ZINC000008598436 132285714 /nfs/dbraw/zinc/28/57/14/132285714.db2.gz UNHMDNLSLWTYAI-UHFFFAOYSA-N 0 0 433.508 2.952 50 0 IFAARN Cc1ccc(CNC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@@H]3C2=O)cc1 ZINC000008610673 132288203 /nfs/dbraw/zinc/28/82/03/132288203.db2.gz AEHWJJSSDMHLCV-OAQYLSRUSA-N 0 0 434.540 2.719 50 0 IFAARN CCc1ccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)cc1 ZINC000008673272 132290146 /nfs/dbraw/zinc/29/01/46/132290146.db2.gz HGVWDKMYPBMXJD-UHFFFAOYSA-N 0 0 433.555 2.577 50 0 aggregator IFAARN CCNC(=O)COC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000008687330 132290592 /nfs/dbraw/zinc/29/05/92/132290592.db2.gz IXKPYECWMPSXOQ-NZQKXSOJSA-N 0 0 440.496 2.867 50 0 IFAARN O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000008706757 132291156 /nfs/dbraw/zinc/29/11/56/132291156.db2.gz JPRRBRIITKYPEB-DEOSSOPVSA-N 0 0 448.567 2.615 50 0 IFAARN Nn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cccc(Cl)c1 ZINC000008719135 132291522 /nfs/dbraw/zinc/29/15/22/132291522.db2.gz UTXCFWYSJISEOE-UHFFFAOYSA-N 0 0 428.949 2.753 50 0 IFAARN O=C(Nc1cccc(Cl)c1Cl)[C@H]1C=C([O-])NC(N2CCN(c3ccccc3)CC2)=[NH+]1 ZINC000008758132 132293134 /nfs/dbraw/zinc/29/31/34/132293134.db2.gz WSRHESOBUIUKTK-QGZVFWFLSA-N 0 0 446.338 2.999 50 0 IFAARN CCOc1ccccc1N1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CC[N@H+](C)C[C@@H]32)C1=O ZINC000008974671 132299523 /nfs/dbraw/zinc/29/95/23/132299523.db2.gz RJACSUWJZCCQGC-HYBUGGRVSA-N 0 0 434.496 2.872 50 0 IFAARN O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)N1CCN(c2ncccn2)CC1 ZINC000008991867 132299718 /nfs/dbraw/zinc/29/97/18/132299718.db2.gz MCJWEPIJGPCRKV-UHFFFAOYSA-N 0 0 436.512 2.872 50 0 IFAARN COc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2F)c4=O)c1 ZINC000009012557 132300644 /nfs/dbraw/zinc/30/06/44/132300644.db2.gz LOALYLQTGGSWCG-HNNXBMFYSA-N 0 0 449.486 2.881 50 0 IFAARN O=C(CCCn1c(=O)c2cccn2c2cccnc21)N1CCN(c2ccccc2F)CC1 ZINC000009115002 132303611 /nfs/dbraw/zinc/30/36/11/132303611.db2.gz JLEQYPYTJMMSJR-UHFFFAOYSA-N 0 0 433.487 2.917 50 0 IFAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccc(C)cc2)cn3C)CC1 ZINC000009119047 132304612 /nfs/dbraw/zinc/30/46/12/132304612.db2.gz OTNDQOIGHRMQKI-UHFFFAOYSA-N 0 0 443.544 2.961 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000009120041 132304735 /nfs/dbraw/zinc/30/47/35/132304735.db2.gz DNFTVNWFCHOBLW-UHFFFAOYSA-N 0 0 443.569 2.879 50 0 IFAARN O=C(CNc1ccccc1N1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009120100 132304764 /nfs/dbraw/zinc/30/47/64/132304764.db2.gz UTGFFCOMHFPCBY-UHFFFAOYSA-N 0 0 442.585 2.622 50 0 IFAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3cccc(SC)c3)cc21 ZINC000009153235 132307027 /nfs/dbraw/zinc/30/70/27/132307027.db2.gz CMIQMCAGQCGEGV-UHFFFAOYSA-N 0 0 438.552 2.821 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000009185401 132307694 /nfs/dbraw/zinc/30/76/94/132307694.db2.gz QMYRBJINBRTZQM-UHFFFAOYSA-N 0 0 433.961 2.933 50 0 IFAARN CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccccc2Br)CC1 ZINC000009190255 132307903 /nfs/dbraw/zinc/30/79/03/132307903.db2.gz HNEPZKBEPDALQL-UHFFFAOYSA-N 0 0 438.347 2.783 50 0 IFAARN CCc1nnc(NC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)s1 ZINC000009211079 132308982 /nfs/dbraw/zinc/30/89/82/132308982.db2.gz MVFBCGJKHZMAJA-ZDUSSCGKSA-N 0 0 426.550 2.822 50 0 IFAARN O=C(c1n[nH]c2ccccc21)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000009336890 132313956 /nfs/dbraw/zinc/31/39/56/132313956.db2.gz QLRZIDVKCSOXFE-UHFFFAOYSA-N 0 0 434.887 2.725 50 0 IFAARN COc1ccc(Nc2nc(N3CCN(c4ncccn4)CC3)nc3c2C(=O)CCC3)cc1 ZINC000009419928 132316394 /nfs/dbraw/zinc/31/63/94/132316394.db2.gz CFZXYFLELKUDSB-UHFFFAOYSA-N 0 0 431.500 2.864 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1ccncc1 ZINC000009438586 132317674 /nfs/dbraw/zinc/31/76/74/132317674.db2.gz XXGMMWFAELWMKR-UHFFFAOYSA-N 0 0 429.473 2.511 50 0 IFAARN CCCCN(C(=O)CN1c2ccccc2CC[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000009461413 132318220 /nfs/dbraw/zinc/31/82/20/132318220.db2.gz LQZJSCWYBUHZTH-KRWDZBQOSA-N 0 0 441.576 2.749 50 0 IFAARN O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000009508790 132319819 /nfs/dbraw/zinc/31/98/19/132319819.db2.gz JDRQYZQOAZLXFR-UHFFFAOYSA-N 0 0 429.542 2.950 50 0 IFAARN CNC(=O)[C@@H]1CN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)c2ccccc2O1 ZINC000009513038 132320111 /nfs/dbraw/zinc/32/01/11/132320111.db2.gz HLHFDHCPMYJVQS-QFIPXVFZSA-N 0 0 427.464 2.633 50 0 IFAARN CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Br)cc2)n(C)c1=O ZINC000009519039 132320241 /nfs/dbraw/zinc/32/02/41/132320241.db2.gz ZUDUCDZLFDOZNH-GFCCVEGCSA-N 0 0 432.322 2.857 50 0 IFAARN COc1cc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCCN32)cc(OC)c1OC ZINC000009528773 132320540 /nfs/dbraw/zinc/32/05/40/132320540.db2.gz SEOWSDGAXWXLLG-GOSISDBHSA-N 0 0 425.485 2.953 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)ccc21 ZINC000009561636 132321566 /nfs/dbraw/zinc/32/15/66/132321566.db2.gz RBUGBPHGKYGQCT-UHFFFAOYSA-N 0 0 429.542 2.505 50 0 IFAARN O=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NCCc1ccco1 ZINC000009588607 132322544 /nfs/dbraw/zinc/32/25/44/132322544.db2.gz RAAIMUHWGLIUDC-UHFFFAOYSA-N 0 0 432.480 2.701 50 0 IFAARN O=S(=O)(c1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)nc1)N1CCCC1 ZINC000009670214 132324878 /nfs/dbraw/zinc/32/48/78/132324878.db2.gz ZVFXZLPRSWDNPM-UHFFFAOYSA-N 0 0 426.995 2.903 50 0 IFAARN NC(=O)N[C@@H](CC(=O)N1CCN(c2ncccn2)CC1)c1cccc(Oc2ccccc2)c1 ZINC000009712394 132327121 /nfs/dbraw/zinc/32/71/21/132327121.db2.gz GCVGGSPUQRMUFP-NRFANRHFSA-N 0 0 446.511 2.717 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000009715872 132327224 /nfs/dbraw/zinc/32/72/24/132327224.db2.gz KSNOHJOCVDXYIE-UHFFFAOYSA-N 0 0 440.525 2.983 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc21 ZINC000009754134 132328337 /nfs/dbraw/zinc/32/83/37/132328337.db2.gz CCYUDFAXLCSXPT-UHFFFAOYSA-N 0 0 447.601 2.789 50 0 IFAARN O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009849723 132330122 /nfs/dbraw/zinc/33/01/22/132330122.db2.gz SPGOPNHWDKEBAA-UHFFFAOYSA-N 0 0 442.510 2.742 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000009850092 132330138 /nfs/dbraw/zinc/33/01/38/132330138.db2.gz LDJSQBHPUZYJQA-UHFFFAOYSA-N 0 0 433.549 2.794 50 0 IFAARN O=C(Cc1ccsc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000009956490 132332833 /nfs/dbraw/zinc/33/28/33/132332833.db2.gz XQSXDMASGJDCMK-UHFFFAOYSA-N 0 0 449.598 2.941 50 0 IFAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)N1CCCc3ccccc31)C2=O ZINC000009985676 132333617 /nfs/dbraw/zinc/33/36/17/132333617.db2.gz KNDLITRGKXMGRH-FYSMJZIKSA-N 0 0 441.528 2.646 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000010506418 132335913 /nfs/dbraw/zinc/33/59/13/132335913.db2.gz SHTJZWOZVMKDQE-UHFFFAOYSA-N 0 0 448.405 2.769 50 0 IFAARN COc1ccc2c(c1)CCCN2C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000010542052 132336079 /nfs/dbraw/zinc/33/60/79/132336079.db2.gz QTMWZTUODISSGG-UHFFFAOYSA-N 0 0 444.553 2.628 50 0 IFAARN CC(C)[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCN(c2cnccn2)CC1 ZINC000011542971 132337863 /nfs/dbraw/zinc/33/78/63/132337863.db2.gz IRPONUFPLUNQCZ-XMMPIXPASA-N 0 0 431.540 2.662 50 0 IFAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCN(c2cnccn2)CC1 ZINC000011546193 132337864 /nfs/dbraw/zinc/33/78/64/132337864.db2.gz TWRQFOSFZIMBCF-UHFFFAOYSA-N 0 0 428.496 2.754 50 0 IFAARN O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(c2ccccc2F)CC1 ZINC000011613618 132338308 /nfs/dbraw/zinc/33/83/08/132338308.db2.gz WEGDISVOMYRFOD-HNNXBMFYSA-N 0 0 428.533 2.647 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1OC ZINC000011697559 132339118 /nfs/dbraw/zinc/33/91/18/132339118.db2.gz GIXYHJRBYQSFEA-UHFFFAOYSA-N 0 0 435.488 2.987 50 0 IFAARN COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1 ZINC000011697553 132339122 /nfs/dbraw/zinc/33/91/22/132339122.db2.gz BKOAJZIPVPCKND-UHFFFAOYSA-N 0 0 435.488 2.987 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 ZINC000011697564 132339129 /nfs/dbraw/zinc/33/91/29/132339129.db2.gz MHZWCMUPFOQXDH-UHFFFAOYSA-N 0 0 433.472 2.741 50 0 IFAARN COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)c1 ZINC000011697686 132339287 /nfs/dbraw/zinc/33/92/87/132339287.db2.gz CVDVULZUHGQYDQ-UHFFFAOYSA-N 0 0 435.488 2.987 50 0 IFAARN CN(C[C@H]1COCCO1)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000011838290 132340462 /nfs/dbraw/zinc/34/04/62/132340462.db2.gz KBNDZZDZQNTAKA-FQEVSTJZSA-N 0 0 436.556 2.723 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1 ZINC000011821412 132340497 /nfs/dbraw/zinc/34/04/97/132340497.db2.gz DIXFTTKCWIPKRJ-VWLOTQADSA-N 0 0 442.563 2.879 50 0 IFAARN Cc1ncoc1C(=O)N1CCOc2ccc(CN3CCN(c4ccccn4)CC3)cc2C1 ZINC000012025165 132340680 /nfs/dbraw/zinc/34/06/80/132340680.db2.gz MUIHSYJOEQJZCJ-UHFFFAOYSA-N 0 0 433.512 2.735 50 0 IFAARN CC(C)[C@@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)c1ccc2c(c1)OCCO2 ZINC000012984142 132341237 /nfs/dbraw/zinc/34/12/37/132341237.db2.gz XPGOVXXEHWGCFL-JOCHJYFZSA-N 0 0 426.517 2.886 50 0 IFAARN Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccc(Br)o4)CC3)nn2)n1 ZINC000013009118 132342186 /nfs/dbraw/zinc/34/21/86/132342186.db2.gz DIYAHGIENJPYCT-UHFFFAOYSA-N 0 0 431.294 2.597 50 0 IFAARN Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)nn2)n1 ZINC000013009464 132342444 /nfs/dbraw/zinc/34/24/44/132342444.db2.gz HAKHQSFYNWBTIV-UHFFFAOYSA-N 0 0 440.573 2.715 50 0 IFAARN O=C(CCCc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000013036820 132342662 /nfs/dbraw/zinc/34/26/62/132342662.db2.gz RQDFQANXMVRNMX-UHFFFAOYSA-N 0 0 427.512 2.882 50 0 IFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)COc3ccccc3C)CC2)cc1 ZINC000013036864 132342853 /nfs/dbraw/zinc/34/28/53/132342853.db2.gz KJJJOPJQIJHQMM-UHFFFAOYSA-N 0 0 443.511 2.555 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(C)cc3)CC2)cc1 ZINC000013036854 132342897 /nfs/dbraw/zinc/34/28/97/132342897.db2.gz ZOZSFOHNZDOVPT-UHFFFAOYSA-N 0 0 443.511 2.880 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000013038176 132343007 /nfs/dbraw/zinc/34/30/07/132343007.db2.gz ZEUHDWCNTSYKGG-HXUWFJFHSA-N 0 0 426.542 2.741 50 0 IFAARN CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)N(C)CC(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000013059657 132343691 /nfs/dbraw/zinc/34/36/91/132343691.db2.gz RLAPWXCAXBZJNS-IBGZPJMESA-N 0 0 436.556 2.805 50 0 IFAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)c1 ZINC000013069507 132344035 /nfs/dbraw/zinc/34/40/35/132344035.db2.gz LDZSGENSHKUUDG-UHFFFAOYSA-N 0 0 437.525 2.548 50 0 IFAARN C[C@]1(c2ccccc2)NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000013097737 132344371 /nfs/dbraw/zinc/34/43/71/132344371.db2.gz QDAVZOFNAISQOC-HXUWFJFHSA-N 0 0 433.434 2.647 50 0 IFAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O ZINC000013098102 132344467 /nfs/dbraw/zinc/34/44/67/132344467.db2.gz YOGFWVPITFSQLP-OAQYLSRUSA-N 0 0 443.345 2.996 50 0 IFAARN C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 ZINC000013700730 132353807 /nfs/dbraw/zinc/35/38/07/132353807.db2.gz RAKUSXQHNCSRBV-OAHLLOKOSA-N 0 0 436.447 2.640 50 0 IFAARN Cn1c(=O)c2c(nc1N1CCN(C(=O)c3cccc(F)c3)CC1)sc1c2CCCC1 ZINC000013722739 132354194 /nfs/dbraw/zinc/35/41/94/132354194.db2.gz XUGBDDRIXKRGLW-UHFFFAOYSA-N 0 0 426.517 2.975 50 0 IFAARN COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccccc4Cl)CC3)cn2)cc1 ZINC000013807142 132354737 /nfs/dbraw/zinc/35/47/37/132354737.db2.gz IAAQPFMZQLMBHF-UHFFFAOYSA-N 0 0 438.915 2.921 50 0 IFAARN CCc1nnc2ccc(N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)nn21 ZINC000013848134 132355120 /nfs/dbraw/zinc/35/51/20/132355120.db2.gz JDOALVPRYAVOTB-UHFFFAOYSA-N 0 0 441.344 2.504 50 0 IFAARN Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)nc(C(C)C)n1 ZINC000014140725 132356343 /nfs/dbraw/zinc/35/63/43/132356343.db2.gz SIKIIRGMWMVMSI-UHFFFAOYSA-N 0 0 432.546 2.581 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCC[C@@H](C)C4)C3)cc2C[C@@H]1C ZINC000015943451 517354832 /nfs/dbraw/zinc/35/48/32/517354832.db2.gz FJGWATLDWQXNBH-AOIWGVFYSA-N 0 0 447.601 2.643 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CSc1ccc(-n3nc(C)cc3C)nn1)OCO2 ZINC000021562403 518293532 /nfs/dbraw/zinc/29/35/32/518293532.db2.gz OPKVANOMSXQLSU-UHFFFAOYSA-N 0 0 425.470 2.941 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CSc1nnnn1-c1ccc(C)cc1C)OCO2 ZINC000023533654 518295534 /nfs/dbraw/zinc/29/55/34/518295534.db2.gz HVAMWVCZGNQQDA-UHFFFAOYSA-N 0 0 425.470 2.941 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)CCn3cnc4c5ccccc5[nH]c4c3=O)CC2)cc1 ZINC000023125678 518347582 /nfs/dbraw/zinc/34/75/82/518347582.db2.gz MOZKYNJMDJKCQM-UHFFFAOYSA-N 0 0 443.507 2.819 50 0 IFAARN C=C(OCC)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1 ZINC000012391014 518655132 /nfs/dbraw/zinc/65/51/32/518655132.db2.gz ZPJFWZFDTBFWIL-QGZVFWFLSA-N 0 0 437.500 2.832 50 0 IFAARN CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000012639045 519017780 /nfs/dbraw/zinc/01/77/80/519017780.db2.gz CTXRADKPLNXPDA-UHFFFAOYSA-N 0 0 430.888 2.867 50 0 IFAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012617517 519376299 /nfs/dbraw/zinc/37/62/99/519376299.db2.gz QSEZQWKVHCUDIU-UHFFFAOYSA-N 0 0 446.960 2.911 50 0 IFAARN CC(C)Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)c2ccccc2c1=O ZINC000023675451 519534473 /nfs/dbraw/zinc/53/44/73/519534473.db2.gz OBLDCSBYIKGMLZ-UHFFFAOYSA-N 0 0 426.561 2.817 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2C[C@@H]1C ZINC000015936326 519639268 /nfs/dbraw/zinc/63/92/68/519639268.db2.gz NTCKEVVPLWFMCB-ZFCANOHDSA-N 0 0 435.590 2.593 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000015775619 519639343 /nfs/dbraw/zinc/63/93/43/519639343.db2.gz NSPPCACTAASLCL-OAQYLSRUSA-N 0 0 445.516 2.917 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)c(C)c3)cc2C[C@H]1C ZINC000020529481 519639829 /nfs/dbraw/zinc/63/98/29/519639829.db2.gz AXVNDXKVQKXZMI-MRXNPFEDSA-N 0 0 429.542 2.908 50 0 IFAARN CC(C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012029630 519657851 /nfs/dbraw/zinc/65/78/51/519657851.db2.gz WXJBNCXJSWSMJE-FQEVSTJZSA-N 0 0 435.567 2.698 50 0 IFAARN CC(C)N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012030466 519658405 /nfs/dbraw/zinc/65/84/05/519658405.db2.gz ZZIRJPFYASIRMP-HXUWFJFHSA-N 0 0 435.567 2.698 50 0 IFAARN CC(C)N(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 ZINC000012316130 519664332 /nfs/dbraw/zinc/66/43/32/519664332.db2.gz GSWKCOQEHRNZMO-JOCHJYFZSA-N 0 0 433.556 2.701 50 0 IFAARN CC(=O)NCc1ccc(-c2csc(NC(=O)Cn3c4ccccc4n(C)c3=O)n2)cc1 ZINC000012927011 519674433 /nfs/dbraw/zinc/67/44/33/519674433.db2.gz DDZQCVBLEHJCEQ-UHFFFAOYSA-N 0 0 435.509 2.738 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012804926 519687710 /nfs/dbraw/zinc/68/77/10/519687710.db2.gz VKWAIRXJRQCDMP-YJYMSZOUSA-N 0 0 437.452 2.514 50 0 IFAARN CC(C)CN(C(=O)COC(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000021121149 519705093 /nfs/dbraw/zinc/70/50/93/519705093.db2.gz DQSQJCGHKQIZPI-SFHVURJKSA-N 0 0 439.574 2.578 50 0 IFAARN CC(C)CN(C(=O)COC(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000021121146 519705203 /nfs/dbraw/zinc/70/52/03/519705203.db2.gz DQSQJCGHKQIZPI-GOSISDBHSA-N 0 0 439.574 2.578 50 0 IFAARN CC(C)CN(C(=O)c1ccc(F)c(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012927000 519706937 /nfs/dbraw/zinc/70/69/37/519706937.db2.gz YJBKIFBIRUHAMY-UHFFFAOYSA-N 0 0 428.439 2.748 50 0 IFAARN CC(C)CN(CC(C)C)C(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000012779546 519712895 /nfs/dbraw/zinc/71/28/95/519712895.db2.gz WYQOOPPXHYMPSN-UHFFFAOYSA-N 0 0 449.621 2.557 50 0 IFAARN CC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000022511766 519717083 /nfs/dbraw/zinc/71/70/83/519717083.db2.gz OGKMUABKKPZAKZ-QGZVFWFLSA-N 0 0 433.505 2.501 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000021872051 519722726 /nfs/dbraw/zinc/72/27/26/519722726.db2.gz NFKYUEAAIQUTGI-CQSZACIVSA-N 0 0 443.525 2.745 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000012228348 519723285 /nfs/dbraw/zinc/72/32/85/519723285.db2.gz WWCXVRPNCXJASL-UHFFFAOYSA-N 0 0 434.431 2.627 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NC2CC2)cc1 ZINC000035559428 519730848 /nfs/dbraw/zinc/73/08/48/519730848.db2.gz GFTLDHMWSQDEKW-NRFANRHFSA-N 0 0 427.526 2.602 50 0 IFAARN CC(C)Oc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)cc1 ZINC000023134737 519778625 /nfs/dbraw/zinc/77/86/25/519778625.db2.gz DLDQFZYLIVXPFI-UHFFFAOYSA-N 0 0 442.470 2.686 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CC(=O)N4CCC[C@@H]4C3=O)cc2)cc1 ZINC000021527272 519779566 /nfs/dbraw/zinc/77/95/66/519779566.db2.gz SYQUAXMOXNNUMX-JOCHJYFZSA-N 0 0 435.524 2.737 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000012109590 519820317 /nfs/dbraw/zinc/82/03/17/519820317.db2.gz PTUAIDHQCDUGRN-IBGZPJMESA-N 0 0 433.505 2.660 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NCc1ccc(F)cc1 ZINC000021887943 519821316 /nfs/dbraw/zinc/82/13/16/519821316.db2.gz UCZNQABRTKZCKN-NRFANRHFSA-N 0 0 447.532 2.720 50 0 IFAARN CC(C)c1cc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c2cnn(C(C)C)c2n1 ZINC000022697582 519831536 /nfs/dbraw/zinc/83/15/36/519831536.db2.gz JOUSIXDVWVKBPK-UHFFFAOYSA-N 0 0 440.592 2.906 50 0 IFAARN CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1 ZINC000020484310 519837005 /nfs/dbraw/zinc/83/70/05/519837005.db2.gz XWSIUNXKMXHAQN-UHFFFAOYSA-N 0 0 441.351 2.809 50 0 IFAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NCc2cccc(Cl)c2)C1=O ZINC000035534724 519849391 /nfs/dbraw/zinc/84/93/91/519849391.db2.gz FNBFYFJXELXEJK-UHFFFAOYSA-N 0 0 448.928 2.958 50 0 IFAARN CCCNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033024798 519867563 /nfs/dbraw/zinc/86/75/63/519867563.db2.gz AMGDBNVDBBSKIJ-UHFFFAOYSA-N 0 0 433.509 2.698 50 0 IFAARN CCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(CCOCC)sc3n2)cc1 ZINC000015772501 519877332 /nfs/dbraw/zinc/87/73/32/519877332.db2.gz BFQIUOIUQDCGBF-UHFFFAOYSA-N 0 0 444.513 2.826 50 0 IFAARN CCCNC(=O)CNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000023788354 519879743 /nfs/dbraw/zinc/87/97/43/519879743.db2.gz RMMPPZSFBYXIGH-UHFFFAOYSA-N 0 0 448.317 2.723 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000021712855 519890572 /nfs/dbraw/zinc/89/05/72/519890572.db2.gz JNBPXYSJCHLXCA-FQEVSTJZSA-N 0 0 445.541 2.627 50 0 IFAARN CC(C)c1nnc(SCC(=O)NCc2ccccc2CN2CCOCC2)n1C1CC1 ZINC000012918220 519890784 /nfs/dbraw/zinc/89/07/84/519890784.db2.gz JYXFGASLKFDVPX-UHFFFAOYSA-N 0 0 429.590 2.977 50 0 IFAARN CCCNC(=O)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000018700330 519892563 /nfs/dbraw/zinc/89/25/63/519892563.db2.gz JIDLHONBGCGGOE-AWEZNQCLSA-N 0 0 449.960 2.736 50 0 IFAARN CCOCCCNC(=O)c1nc2c(=O)n(Cc3cccc(F)c3)c3cc(C)ccc3n2n1 ZINC000033274441 519896060 /nfs/dbraw/zinc/89/60/60/519896060.db2.gz WLERYZPCAYRONL-UHFFFAOYSA-N 0 0 437.475 2.696 50 0 IFAARN CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1 ZINC000012867611 519912877 /nfs/dbraw/zinc/91/28/77/519912877.db2.gz AZINHPPSOGHBMO-UHFFFAOYSA-N 0 0 427.570 2.535 50 0 IFAARN CCN(C(=O)Cn1c(=O)c2cccnc2n(-c2ccccc2OC)c1=O)c1ccccc1 ZINC000012411834 519935300 /nfs/dbraw/zinc/93/53/00/519935300.db2.gz OBVDOPWUEDWJSA-UHFFFAOYSA-N 0 0 430.464 2.609 50 0 IFAARN CCCOc1cc(N2CCN(S(=O)(=O)c3cc(OC)c(C)cc3C)CC2)nc(C)n1 ZINC000012224802 520312269 /nfs/dbraw/zinc/31/22/69/520312269.db2.gz BFYFDRXJJFTLFW-UHFFFAOYSA-N 0 0 434.562 2.710 50 0 IFAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000012766844 520339509 /nfs/dbraw/zinc/33/95/09/520339509.db2.gz HRARDRBOELHNQC-UHFFFAOYSA-N 0 0 429.420 2.930 50 0 IFAARN CCCCN(C)C(=O)CN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2CCC1=O ZINC000035428830 520372172 /nfs/dbraw/zinc/37/21/72/520372172.db2.gz YSTUFIKYYLBDED-UHFFFAOYSA-N 0 0 435.590 2.645 50 0 IFAARN CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1sc(CC)c(C)c1C(=O)OCC ZINC000021027933 520401139 /nfs/dbraw/zinc/40/11/39/520401139.db2.gz FRLUWUTWQTVAAH-NVNXTCNLSA-N 0 0 440.543 2.714 50 0 IFAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC000012754452 520457455 /nfs/dbraw/zinc/45/74/55/520457455.db2.gz DHUBCYCSNVQPNQ-FQEVSTJZSA-N 0 0 429.561 2.972 50 0 IFAARN CCOC(=O)C1=C(C)N(CC(=O)NCc2ccc(F)cc2)c2ncnn2[C@H]1c1ccccc1 ZINC000021350174 520474751 /nfs/dbraw/zinc/47/47/51/520474751.db2.gz LXVLBAQBANXGKR-QFIPXVFZSA-N 0 0 449.486 2.980 50 0 IFAARN CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000012761769 520476372 /nfs/dbraw/zinc/47/63/72/520476372.db2.gz PQATUAZIGSMRHW-GDBMZVCRSA-N 0 0 446.447 2.796 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000022135384 520492483 /nfs/dbraw/zinc/49/24/83/520492483.db2.gz LPMMYYDDMCJFRW-GTVARFKMSA-N 0 0 440.546 2.868 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559138 520516441 /nfs/dbraw/zinc/51/64/41/520516441.db2.gz IXBDCALHSQALDB-HXUWFJFHSA-N 0 0 444.532 2.881 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccccc2CC)[C@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870169 520516953 /nfs/dbraw/zinc/51/69/53/520516953.db2.gz NOOCFIWGMUONHE-QHCPKHFHSA-N 0 0 449.617 2.845 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cccc(NC(C)=O)c2)NC(=O)N[C@@H]1c1cccs1 ZINC000012719329 520522221 /nfs/dbraw/zinc/52/22/21/520522221.db2.gz OXWCWLJEUOEOBW-GOSISDBHSA-N 0 0 443.481 2.735 50 0 IFAARN CCCS(=O)(=O)N1CCN(c2nc(CC)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000035990415 520527257 /nfs/dbraw/zinc/52/72/57/520527257.db2.gz OPLNBTMAMBHKFA-UHFFFAOYSA-N 0 0 428.562 2.548 50 0 IFAARN CCOC(=O)C1=C(CSc2nncn2Cc2ccco2)NC(=O)N[C@@H]1c1cccs1 ZINC000032869309 520528034 /nfs/dbraw/zinc/52/80/34/520528034.db2.gz FIBHQJJXJPXKPR-MRXNPFEDSA-N 0 0 445.526 2.944 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccco1)C(=O)[C@@H]1CCCCN21 ZINC000035445654 520557684 /nfs/dbraw/zinc/55/76/84/520557684.db2.gz JIERMGLOXAOYNU-FQEVSTJZSA-N 0 0 438.528 2.784 50 0 IFAARN CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)CCc3ccc4c(c3)OCO4)CC2)nn1 ZINC000248238414 520563583 /nfs/dbraw/zinc/56/35/83/520563583.db2.gz FUTNRLNIAWFFFS-HDICACEKSA-N 0 0 441.532 2.722 50 0 IFAARN CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)Cc3ccc(OC)c(OC)c3)CC2)nn1 ZINC000244646977 520564239 /nfs/dbraw/zinc/56/42/39/520564239.db2.gz GSSPNXLUKQFIQL-HDICACEKSA-N 0 0 443.548 2.620 50 0 IFAARN CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)nn1 ZINC000012123919 520564960 /nfs/dbraw/zinc/56/49/60/520564960.db2.gz REPWLUFHZVFTRU-KRWDZBQOSA-N 0 0 431.537 2.623 50 0 IFAARN CCCCN1C(=O)c2cc(C(=O)NC3CCCC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877896 520564915 /nfs/dbraw/zinc/56/49/15/520564915.db2.gz VNAPEVSMWQFFRC-QHCPKHFHSA-N 0 0 429.565 2.629 50 0 IFAARN CCN(CC)C1=N[C@](C(=O)OC)(C(F)(F)F)N=C(c2cc(OC)c(OC)c(OC)c2)O1 ZINC000012411591 520567677 /nfs/dbraw/zinc/56/76/77/520567677.db2.gz SZTBWNDSGDMDQS-GOSISDBHSA-N 0 0 447.410 2.619 50 0 IFAARN CC1(C)O[C@H]2O[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000002667049 520612456 /nfs/dbraw/zinc/61/24/56/520612456.db2.gz DYPWYALADNLMHN-WZYWGQKZSA-N 0 0 433.379 2.920 50 0 IFAARN CCOc1cc(C(=O)OCC(=O)N2CCc3cc(OC)c(OC)cc3C2)ccc1OC ZINC000016048850 520669496 /nfs/dbraw/zinc/66/94/96/520669496.db2.gz QYTYFCFEQKWVRI-UHFFFAOYSA-N 0 0 429.469 2.853 50 0 IFAARN CCOc1cc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2C)ccc1OC ZINC000035561189 520705425 /nfs/dbraw/zinc/70/54/25/520705425.db2.gz UNUIYQFEKVLMIX-UHFFFAOYSA-N 0 0 445.541 2.766 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NC2(C(=O)OC)CCCCC2)ccc1Cl ZINC000012817508 520780085 /nfs/dbraw/zinc/78/00/85/520780085.db2.gz VCGBUKHDZJWKRN-UHFFFAOYSA-N 0 0 430.954 2.976 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000033856700 520787967 /nfs/dbraw/zinc/78/79/67/520787967.db2.gz SPFHQSRGNRTRJC-LRLJZKOHSA-N 0 0 436.574 2.968 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(N3CCOCC3)nc2)cc1 ZINC000021589715 520793506 /nfs/dbraw/zinc/79/35/06/520793506.db2.gz SSDYKODLLWMIDV-UHFFFAOYSA-N 0 0 446.573 2.520 50 0 IFAARN CCOc1cc2c(cc1NC(=O)CCS(=O)(=O)c1ccc3c(c1)OCCO3)O[C@H](C)C2 ZINC000026886782 520794532 /nfs/dbraw/zinc/79/45/32/520794532.db2.gz UUCSORVWWLIKLZ-CQSZACIVSA-N 0 0 447.509 2.982 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c1 ZINC000036628804 520795571 /nfs/dbraw/zinc/79/55/71/520795571.db2.gz NBQILLSWQBGJQS-VFNWGFHPSA-N 0 0 447.557 2.950 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CSC(C)C)c1 ZINC000023114198 520800819 /nfs/dbraw/zinc/80/08/19/520800819.db2.gz LXQGJOXYSNMMFB-UHFFFAOYSA-N 0 0 429.608 2.634 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)nc1 ZINC000018457385 520809446 /nfs/dbraw/zinc/80/94/46/520809446.db2.gz VJASATCFMGKBHU-CQSZACIVSA-N 0 0 448.570 2.578 50 0 IFAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(F)c2)c2c(=O)n(C)c(=O)n(C)c2N1 ZINC000035532432 520825644 /nfs/dbraw/zinc/82/56/44/520825644.db2.gz GDXOWNYSUKGMOR-LJQANCHMSA-N 0 0 435.455 2.798 50 0 IFAARN CCOc1ccc(-c2noc(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)n2)cc1OC ZINC000035375148 520828788 /nfs/dbraw/zinc/82/87/88/520828788.db2.gz WNOILOHXGRPOMC-QGZVFWFLSA-N 0 0 430.505 2.656 50 0 IFAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000020932798 520859454 /nfs/dbraw/zinc/85/94/54/520859454.db2.gz WYDNPWMUGXKXIH-LJQANCHMSA-N 0 0 449.525 2.954 50 0 IFAARN CCCCOc1ccc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 ZINC000012626996 520870027 /nfs/dbraw/zinc/87/00/27/520870027.db2.gz XFNZCBQZWGVXQG-UHFFFAOYSA-N 0 0 446.569 2.958 50 0 IFAARN CCOC(=O)C[C@H]1COCCN1C(=O)c1cc(COc2cccc3cccnc32)on1 ZINC000012592426 520897436 /nfs/dbraw/zinc/89/74/36/520897436.db2.gz LEELVQGPJMTBTC-INIZCTEOSA-N 0 0 425.441 2.596 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc1OCC ZINC000021140115 520907221 /nfs/dbraw/zinc/90/72/21/520907221.db2.gz KMOCAAVBIIFBRJ-MRXNPFEDSA-N 0 0 440.496 2.735 50 0 IFAARN CCN(CC)c1ccc(NC(=O)COC(=O)c2ccccc2OCC(=O)N(C)C)cc1 ZINC000017835133 520914856 /nfs/dbraw/zinc/91/48/56/520914856.db2.gz XEHREIKFOWXSQX-UHFFFAOYSA-N 0 0 427.501 2.795 50 0 IFAARN CCN(CC)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000020767164 520915016 /nfs/dbraw/zinc/91/50/16/520915016.db2.gz OCOYGHFPLDGXFT-UHFFFAOYSA-N 0 0 441.551 2.867 50 0 IFAARN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)CC1 ZINC000022483631 520948927 /nfs/dbraw/zinc/94/89/27/520948927.db2.gz SOKZEBDZQLXELO-SFHVURJKSA-N 0 0 441.507 2.800 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000015919332 520948965 /nfs/dbraw/zinc/94/89/65/520948965.db2.gz FRVBDZSTNGWNRD-UHFFFAOYSA-N 0 0 445.541 2.734 50 0 IFAARN CC1CCC(NC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)CC1 ZINC000021875448 520953030 /nfs/dbraw/zinc/95/30/30/520953030.db2.gz NOGRWKDRFJSYEJ-QEAWBRDWSA-N 0 0 443.592 2.875 50 0 IFAARN CCOC(=O)N1CCN([C@@H](c2ccc(F)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697733 520957932 /nfs/dbraw/zinc/95/79/32/520957932.db2.gz RKAXWKWXDLKCJU-NRFANRHFSA-N 0 0 447.507 2.511 50 0 IFAARN CCOC(=O)N1CCN([C@H](c2ccc(OC)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022696854 520960293 /nfs/dbraw/zinc/96/02/93/520960293.db2.gz XYBCOOFAUNWZHN-OAQYLSRUSA-N 0 0 429.517 2.754 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CN1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)C2=O ZINC000023674449 520965663 /nfs/dbraw/zinc/96/56/63/520965663.db2.gz WVZGWGNAWBFAHH-UHFFFAOYSA-N 0 0 442.516 2.524 50 0 IFAARN CCOc1ccc(CNC(=O)CN2CCSc3ccc(S(=O)(=O)N(C)C)cc32)cc1 ZINC000021094217 520986324 /nfs/dbraw/zinc/98/63/24/520986324.db2.gz IQKQVDGCOMQSHI-UHFFFAOYSA-N 0 0 449.598 2.564 50 0 IFAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(c3nc4cccnc4n(CC)c3=O)C2)cc1 ZINC000033259471 520994618 /nfs/dbraw/zinc/99/46/18/520994618.db2.gz KCGQCPHAJNAGAI-SFHVURJKSA-N 0 0 435.528 2.743 50 0 IFAARN CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n(N)c2=O)cc1 ZINC000012348136 521013548 /nfs/dbraw/zinc/01/35/48/521013548.db2.gz DQDKJJBEOSITLK-UHFFFAOYSA-N 0 0 439.541 2.689 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3ncc(C(=O)N4CCCCCC4)c(O)c3c2)CC1 ZINC000020682182 521032684 /nfs/dbraw/zinc/03/26/84/521032684.db2.gz VJPAERNCCYZUGR-UHFFFAOYSA-N 0 0 431.558 2.965 50 0 IFAARN CCOc1ccc(N2CCn3c2nnc(C(=O)NCc2ccccc2Cl)c3=O)cc1 ZINC000012234110 521042338 /nfs/dbraw/zinc/04/23/38/521042338.db2.gz NENYHQYHVYEAMT-UHFFFAOYSA-N 0 0 425.876 2.772 50 0 IFAARN CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cc(C)ccc3OC)CC2)cc1 ZINC000020766848 521058650 /nfs/dbraw/zinc/05/86/50/521058650.db2.gz ZURKPZMJVXWPFA-UHFFFAOYSA-N 0 0 440.544 2.597 50 0 IFAARN CCC(=O)N1CCC2(CC1)N[C@@H](CC(C)C)C(=O)N2CCc1ccc(OC)c(OC)c1 ZINC000036029698 521092843 /nfs/dbraw/zinc/09/28/43/521092843.db2.gz ZDXDUNCYDUJLHG-IBGZPJMESA-N 0 0 431.577 2.822 50 0 IFAARN CCC(=O)N1CCC2(CC1)N[C@H](CC(C)C)C(=O)N2CCc1ccc(OC)c(OC)c1 ZINC000036029697 521093890 /nfs/dbraw/zinc/09/38/90/521093890.db2.gz ZDXDUNCYDUJLHG-LJQANCHMSA-N 0 0 431.577 2.822 50 0 IFAARN CCN(CCO)C(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C1CC1 ZINC000012218664 521095203 /nfs/dbraw/zinc/09/52/03/521095203.db2.gz KYXOCGUYSDYZDP-UHFFFAOYSA-N 0 0 433.512 2.768 50 0 IFAARN CCOc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2)cc1S(=O)(=O)N(CC)CC ZINC000012775282 521106526 /nfs/dbraw/zinc/10/65/26/521106526.db2.gz YLTNOCRSJWUQTP-INIZCTEOSA-N 0 0 447.557 2.873 50 0 IFAARN CCC(=O)N1CCN(Cc2nc3cc(NC(=O)COc4ccc(C)cc4)ccc3n2C)CC1 ZINC000020677349 521122196 /nfs/dbraw/zinc/12/21/96/521122196.db2.gz XCTZBEVBKAZXFW-UHFFFAOYSA-N 0 0 449.555 2.953 50 0 IFAARN CCOc1ccc(OCC)c(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccccc2)c1 ZINC000021648022 521168479 /nfs/dbraw/zinc/16/84/79/521168479.db2.gz GTJXVNYUVJACKC-GOSISDBHSA-N 0 0 432.498 2.802 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000012273928 521194884 /nfs/dbraw/zinc/19/48/84/521194884.db2.gz VNQWYRUNHOQJCI-HXUWFJFHSA-N 0 0 431.514 2.836 50 0 IFAARN CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000015506136 521249486 /nfs/dbraw/zinc/24/94/86/521249486.db2.gz ZOORSAIISUSPPR-OYHNWAKOSA-N 0 0 432.423 2.764 50 0 IFAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 ZINC000022539527 521274069 /nfs/dbraw/zinc/27/40/69/521274069.db2.gz XWLKMVHXXUTVNL-KRWDZBQOSA-N 0 0 443.573 2.994 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000012311541 521292537 /nfs/dbraw/zinc/29/25/37/521292537.db2.gz BAVSZVQNAVHTGS-INIZCTEOSA-N 0 0 442.965 2.930 50 0 IFAARN CCC(C)(C)NC(=O)CN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2CCC1=O ZINC000035560430 521316994 /nfs/dbraw/zinc/31/69/94/521316994.db2.gz OZFGARYZEUZGJF-UHFFFAOYSA-N 0 0 435.590 2.691 50 0 IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCc4ccc(C)cc4)CC3)sc2n1 ZINC000020866116 521346101 /nfs/dbraw/zinc/34/61/01/521346101.db2.gz OZOYLDOCMWQBIE-UHFFFAOYSA-N 0 0 425.558 2.945 50 0 IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccc(OC)cc4)CC3)sc2n1 ZINC000021165687 521346327 /nfs/dbraw/zinc/34/63/27/521346327.db2.gz RDGMIAFHBKPAJN-UHFFFAOYSA-N 0 0 427.530 2.967 50 0 IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccccc4OC)CC3)sc2n1 ZINC000021166036 521348952 /nfs/dbraw/zinc/34/89/52/521348952.db2.gz GPWNMEPHWDHYTL-UHFFFAOYSA-N 0 0 427.530 2.967 50 0 IFAARN CCCCn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2Cc2ccccc2F)n(C)c1=O ZINC000012232060 521356316 /nfs/dbraw/zinc/35/63/16/521356316.db2.gz YKTVXNAIPQFCBT-UHFFFAOYSA-N 0 0 438.507 2.995 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(CC(=O)NCc3cccnc3)CC2)c1C ZINC000021153782 521362784 /nfs/dbraw/zinc/36/27/84/521362784.db2.gz KENAWMYIVOMYTE-UHFFFAOYSA-N 0 0 426.517 2.762 50 0 IFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)COc2ccc(OCCC)cc2)c(=O)[nH]c1=O ZINC000012692552 521365879 /nfs/dbraw/zinc/36/58/79/521365879.db2.gz IPMYBKXLCNTYRE-UHFFFAOYSA-N 0 0 446.548 2.776 50 0 IFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NC2CCCCCC2)c(=O)[nH]c1=O ZINC000012928055 521365939 /nfs/dbraw/zinc/36/59/39/521365939.db2.gz VNYDIIRDGBJNHM-UHFFFAOYSA-N 0 0 449.596 2.527 50 0 IFAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CN1CCOCC1 ZINC000021486568 521372078 /nfs/dbraw/zinc/37/20/78/521372078.db2.gz SAAZQVVLZYUJQQ-UHFFFAOYSA-N 0 0 434.514 2.880 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(CCc1ccncc1)C[C@@H]1CCCO1 ZINC000020582503 521382535 /nfs/dbraw/zinc/38/25/35/521382535.db2.gz GPULEPPDEZSBCV-SFHVURJKSA-N 0 0 435.546 2.616 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000021116567 521397995 /nfs/dbraw/zinc/39/79/95/521397995.db2.gz ZBLZELAHXFZQOH-KRWDZBQOSA-N 0 0 447.557 2.858 50 0 IFAARN CCOC(=O)c1cc(OS(=O)(=O)c2cccc(C(=O)OC)c2)cc(C(=O)OCC)c1 ZINC000012763661 521445682 /nfs/dbraw/zinc/44/56/82/521445682.db2.gz LEWLQMNADWCWAI-UHFFFAOYSA-N 0 0 436.438 2.594 50 0 IFAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000012782529 521453869 /nfs/dbraw/zinc/45/38/69/521453869.db2.gz IXABMIURZOTHOH-INIZCTEOSA-N 0 0 427.892 2.725 50 0 IFAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000012934154 521454667 /nfs/dbraw/zinc/45/46/67/521454667.db2.gz ORFWADDORSJJBW-UHFFFAOYSA-N 0 0 432.402 2.720 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(c1ccc(C)cc1)C2=O ZINC000021781353 521456778 /nfs/dbraw/zinc/45/67/78/521456778.db2.gz WHEMZGMOVARJNL-HSZRJFAPSA-N 0 0 426.517 2.950 50 0 IFAARN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccs2)C1 ZINC000020511684 521490585 /nfs/dbraw/zinc/49/05/85/521490585.db2.gz YYHFDEZSRGXYPK-MRXNPFEDSA-N 0 0 437.587 2.856 50 0 IFAARN CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000020460019 521498775 /nfs/dbraw/zinc/49/87/75/521498775.db2.gz XEMGEPZSWDBUJA-UHFFFAOYSA-N 0 0 438.933 2.690 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000020901394 521508761 /nfs/dbraw/zinc/50/87/61/521508761.db2.gz USSYFOIEFMFDPG-OAHLLOKOSA-N 0 0 443.529 2.697 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)cc1 ZINC000035431331 521513422 /nfs/dbraw/zinc/51/34/22/521513422.db2.gz SAOPXPSAIVIPPR-HNNXBMFYSA-N 0 0 433.530 2.875 50 0 IFAARN CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O ZINC000022058518 521564910 /nfs/dbraw/zinc/56/49/10/521564910.db2.gz CBWYOICSCKOFAQ-LJQANCHMSA-N 0 0 435.889 2.984 50 0 IFAARN CCOC(=O)c1cnn(-c2nc3ccccc3[nH]2)c1CN1CCC[C@H](C(=O)OCC)C1 ZINC000012240620 521578808 /nfs/dbraw/zinc/57/88/08/521578808.db2.gz WQKMQXMHHGPYQF-HNNXBMFYSA-N 0 0 425.489 2.700 50 0 IFAARN CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)CSc1ccccn1)CC2 ZINC000014535142 521604193 /nfs/dbraw/zinc/60/41/93/521604193.db2.gz WXIGPKAKFUCSTM-UHFFFAOYSA-N 0 0 437.525 2.575 50 0 IFAARN CCOC(=O)c1noc2nc(C)n([C@H](CC)C(=O)Nc3ccc(C(C)=O)cc3)c(=O)c21 ZINC000033059566 521607237 /nfs/dbraw/zinc/60/72/37/521607237.db2.gz RALAMKUXHNEZEQ-OAHLLOKOSA-N 0 0 426.429 2.662 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(C)ccc2C)c1=O ZINC000033141009 521617775 /nfs/dbraw/zinc/61/77/75/521617775.db2.gz CGSLRQQJLASREB-UHFFFAOYSA-N 0 0 441.557 2.885 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc(C)cc2)c1=O ZINC000033140966 521617797 /nfs/dbraw/zinc/61/77/97/521617797.db2.gz YZVLBCFJAUFDSS-UHFFFAOYSA-N 0 0 427.530 2.577 50 0 IFAARN CCCn1c(=O)cc(C(=O)Nc2cccc(Cl)c2)c2c(=O)n(CCC)c(=O)n(C)c21 ZINC000035422371 521619357 /nfs/dbraw/zinc/61/93/57/521619357.db2.gz GSIJGFDZHAMFSE-UHFFFAOYSA-N 0 0 430.892 2.588 50 0 IFAARN CCOC(CNC(=O)CN1c2ccccc2O/C(=C/c2ccc(OC)cc2)C1=O)OCC ZINC000020736390 521632544 /nfs/dbraw/zinc/63/25/44/521632544.db2.gz HQSMOHYXRNLFKS-KGENOOAVSA-N 0 0 440.496 2.977 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N3CCC(CC(=O)N4CCCCC4)CC3)cc2oc1=O ZINC000035460880 521636934 /nfs/dbraw/zinc/63/69/34/521636934.db2.gz WPVPARUSVXGUIE-UHFFFAOYSA-N 0 0 449.573 2.808 50 0 IFAARN CCN1CCN(C(=O)Cn2ncc3c(C)n(Cc4ccccc4Cl)c(C)c3c2=O)CC1 ZINC000020417630 521664390 /nfs/dbraw/zinc/66/43/90/521664390.db2.gz WGRIPCKRQUXSIV-UHFFFAOYSA-N 0 0 441.963 2.681 50 0 IFAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc(C)cc4Cl)c(=O)c3s2)CC1 ZINC000021886462 521702027 /nfs/dbraw/zinc/70/20/27/521702027.db2.gz PISQYRRYPBJXNN-UHFFFAOYSA-N 0 0 446.964 2.595 50 0 IFAARN CCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000012414843 521730954 /nfs/dbraw/zinc/73/09/54/521730954.db2.gz HBQWMTZMRBQYSZ-UHFFFAOYSA-N 0 0 435.527 2.960 50 0 IFAARN CCNC(=O)N(CCOC)Cc1ccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000036008559 521739425 /nfs/dbraw/zinc/73/94/25/521739425.db2.gz JHCIDBNBCVAFKI-UHFFFAOYSA-N 0 0 449.529 2.591 50 0 IFAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@H]1CCCO1)C1CC1 ZINC000036031854 521739528 /nfs/dbraw/zinc/73/95/28/521739528.db2.gz JRSFSBZTVSWXEO-HXUWFJFHSA-N 0 0 446.573 2.730 50 0 IFAARN CCNC(=O)N1C[C@@H](c2cccc(OC)c2OC)[C@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000036055246 521740859 /nfs/dbraw/zinc/74/08/59/521740859.db2.gz BBWKVPLXDJFVNX-RBUKOAKNSA-N 0 0 429.492 2.904 50 0 IFAARN CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)C1 ZINC000033279527 521744578 /nfs/dbraw/zinc/74/45/78/521744578.db2.gz BCANSTIBBDDXBI-CQSZACIVSA-N 0 0 438.575 2.993 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCN([C@@H](C(=O)OC)c3ccccc3Cl)CC2)c1C ZINC000012929395 521749319 /nfs/dbraw/zinc/74/93/19/521749319.db2.gz CCRMYICBWFCLIQ-LJQANCHMSA-N 0 0 447.919 2.744 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1C ZINC000022911942 521750069 /nfs/dbraw/zinc/75/00/69/521750069.db2.gz OXUSWGWGWUNXAB-KRWDZBQOSA-N 0 0 441.528 2.578 50 0 IFAARN CCc1cccc(NC(=O)Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)c1 ZINC000035375699 521757113 /nfs/dbraw/zinc/75/71/13/521757113.db2.gz HNBWQKXVVTXTQP-UHFFFAOYSA-N 0 0 435.503 2.910 50 0 IFAARN CCSc1ncc2c(ncn(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c2=O)n1 ZINC000021882915 521788463 /nfs/dbraw/zinc/78/84/63/521788463.db2.gz UNXDCRBABLQDNB-UHFFFAOYSA-N 0 0 435.893 2.608 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(C(=O)c2cccc(N(C)C)c2)CC3)n1C ZINC000035527693 521793032 /nfs/dbraw/zinc/79/30/32/521793032.db2.gz JVVGALNCFQSHBF-UHFFFAOYSA-N 0 0 425.562 2.592 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)nc(SCC(=O)N(C)c1ccccc1)n2C1CC1 ZINC000021098492 521829251 /nfs/dbraw/zinc/82/92/51/521829251.db2.gz JHEJRJJBRUKXOS-UHFFFAOYSA-N 0 0 438.509 2.977 50 0 IFAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1 ZINC000034868569 521868885 /nfs/dbraw/zinc/86/88/85/521868885.db2.gz PBEJLCJBIWZLEN-UHFFFAOYSA-N 0 0 437.540 2.736 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2C)cn1C ZINC000035375917 521906515 /nfs/dbraw/zinc/90/65/15/521906515.db2.gz VQWGFDOWDYBGAQ-INIZCTEOSA-N 0 0 439.921 2.565 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(c1ccc(F)cc1C)C2=O ZINC000021878314 521920237 /nfs/dbraw/zinc/92/02/37/521920237.db2.gz ZTFOODGTVYFCIO-QHCPKHFHSA-N 0 0 442.491 2.985 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(CCc1cccs1)C2=O ZINC000021878328 521922366 /nfs/dbraw/zinc/92/23/66/521922366.db2.gz KEGAVAFZHQGYDL-JOCHJYFZSA-N 0 0 444.557 2.637 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(c1ccc(F)cc1C)C2=O ZINC000021878199 521922832 /nfs/dbraw/zinc/92/28/32/521922832.db2.gz VHWBJKNENQGZEB-JOCHJYFZSA-N 0 0 428.464 2.595 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)cc1 ZINC000035590067 521974620 /nfs/dbraw/zinc/97/46/20/521974620.db2.gz YBMNVVAUHJLKEX-UHFFFAOYSA-N 0 0 436.490 2.857 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000012552631 521986080 /nfs/dbraw/zinc/98/60/80/521986080.db2.gz IBNJTANGUHKMQG-UHFFFAOYSA-N 0 0 440.569 2.991 50 0 IFAARN CC[C@@H](C)CN1C(=O)[C@H](C)NC12CCN(S(=O)(=O)c1cccc3cccnc31)CC2 ZINC000036027218 521989261 /nfs/dbraw/zinc/98/92/61/521989261.db2.gz STBPXBFDRJURCT-SJORKVTESA-N 0 0 430.574 2.582 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 ZINC000012779091 521996748 /nfs/dbraw/zinc/99/67/48/521996748.db2.gz RIOUETWOTXTONW-UHFFFAOYSA-N 0 0 446.525 2.961 50 0 IFAARN COc1cc(C(=O)N2CCC[C@H]2c2nonc2C)ccc1OC1CCN(C(C)=O)CC1 ZINC000012303624 522080697 /nfs/dbraw/zinc/08/06/97/522080697.db2.gz RHBTVXCUOBWZGO-SFHVURJKSA-N 0 0 428.489 2.754 50 0 IFAARN COC(=O)c1ccc(N2CCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)CC2)cc1 ZINC000012435645 522081346 /nfs/dbraw/zinc/08/13/46/522081346.db2.gz PHCQKXJXBRTOJV-UHFFFAOYSA-N 0 0 439.903 2.729 50 0 IFAARN COCCn1cc(C(=O)NCCc2cccc(Cl)c2)c(=O)c(C(=O)NC2CCCC2)c1 ZINC000015073026 522082156 /nfs/dbraw/zinc/08/21/56/522082156.db2.gz WXBOVEBRZQNGCJ-UHFFFAOYSA-N 0 0 445.947 2.793 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2cc(OCc3ccccc3C)c(=O)cc2CO)cc1 ZINC000012231276 522100383 /nfs/dbraw/zinc/10/03/83/522100383.db2.gz RUSGGHFLWIFCJF-UHFFFAOYSA-N 0 0 436.464 2.653 50 0 IFAARN CC[C@@H](C)NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000020686005 522141486 /nfs/dbraw/zinc/14/14/86/522141486.db2.gz DQYHXZVFNWQYQR-GOSISDBHSA-N 0 0 449.617 2.549 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)NCC(=O)Nc3cccc(OC)c3)c(C)s2)no1 ZINC000035556314 522143667 /nfs/dbraw/zinc/14/36/67/522143667.db2.gz KZZGAMGCFVYKCU-UHFFFAOYSA-N 0 0 436.515 2.595 50 0 IFAARN CCc1nc(-c2ccc(N3CCN(C(=O)[C@H](C)NC(=O)c4ccccc4)CC3)cc2)no1 ZINC000035552845 522148135 /nfs/dbraw/zinc/14/81/35/522148135.db2.gz PNBSPWQXWKRVMD-KRWDZBQOSA-N 0 0 433.512 2.766 50 0 IFAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N[C@@H](C)CC)CC3)c2)no1 ZINC000021707774 522149312 /nfs/dbraw/zinc/14/93/12/522149312.db2.gz ABBPLJGHZYPDTP-LBPRGKRZSA-N 0 0 426.564 2.676 50 0 IFAARN COc1cc(C(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc(OC)c1OC ZINC000021173099 522170039 /nfs/dbraw/zinc/17/00/39/522170039.db2.gz QULXQXIOTSLABG-ZDUSSCGKSA-N 0 0 431.441 2.518 50 0 IFAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000012696419 522178138 /nfs/dbraw/zinc/17/81/38/522178138.db2.gz RJEFWYDMCBHJSE-KNUWZQJKSA-N 0 0 432.517 2.774 50 0 IFAARN COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 ZINC000012443503 522187521 /nfs/dbraw/zinc/18/75/21/522187521.db2.gz BPLRPLYSSYSXKG-UHFFFAOYSA-N 0 0 439.541 2.675 50 0 IFAARN COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1C ZINC000012224981 522219559 /nfs/dbraw/zinc/21/95/59/522219559.db2.gz LJWVLODIGSBJMB-UHFFFAOYSA-N 0 0 434.562 2.709 50 0 IFAARN CNS(=O)(=O)c1cc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)ccc1C ZINC000012601075 522271698 /nfs/dbraw/zinc/27/16/98/522271698.db2.gz ZMSFHUHLOMRJAK-UHFFFAOYSA-N 0 0 430.530 2.786 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CSc1nc2c(nc[nH]c2=O)n1-c1ccccc1 ZINC000012417868 522272028 /nfs/dbraw/zinc/27/20/28/522272028.db2.gz IQSVGTXQYJXXFY-UHFFFAOYSA-N 0 0 435.465 2.626 50 0 biogenic,in-vitro IFAARN COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C ZINC000001065571 522272664 /nfs/dbraw/zinc/27/26/64/522272664.db2.gz FLYHKLHPVVZCGR-UHFFFAOYSA-N 0 0 434.514 2.733 50 0 IFAARN CNS(=O)(=O)c1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1 ZINC000012998499 522276201 /nfs/dbraw/zinc/27/62/01/522276201.db2.gz AEWUXVCBXVFTAN-UHFFFAOYSA-N 0 0 442.537 2.834 50 0 IFAARN COc1cc(CC(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc(OC)c1OC ZINC000012583470 522314058 /nfs/dbraw/zinc/31/40/58/522314058.db2.gz SHUYUEMSHOURCK-UHFFFAOYSA-N 0 0 425.485 2.762 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)ccc1OC)C(=O)OC ZINC000020762910 522374649 /nfs/dbraw/zinc/37/46/49/522374649.db2.gz YQDYWYLIQHDLLL-MJWYBRSISA-N 0 0 430.505 2.672 50 0 IFAARN COc1cc(CN2CCN(Cc3cnn(-c4ccccc4)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000020455774 522381945 /nfs/dbraw/zinc/38/19/45/522381945.db2.gz ACISBRXQWDUEGH-QHCPKHFHSA-N 0 0 436.556 2.958 50 0 IFAARN CN(CC(=O)NC(C)(C)C)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000023079083 522453693 /nfs/dbraw/zinc/45/36/93/522453693.db2.gz HDISZOCJIHKSIH-UHFFFAOYSA-N 0 0 437.606 2.557 50 0 IFAARN CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000013006549 522460622 /nfs/dbraw/zinc/46/06/22/522460622.db2.gz WPEJSNIYZLKEMQ-UHFFFAOYSA-N 0 0 434.558 2.553 50 0 IFAARN CN(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000032947042 522484343 /nfs/dbraw/zinc/48/43/43/522484343.db2.gz GZLNDHSSOMXYCB-UHFFFAOYSA-N 0 0 445.324 2.702 50 0 IFAARN CN(CC(=O)Nc1cccc(I)c1)S(=O)(=O)c1cccs1 ZINC000022397307 522512610 /nfs/dbraw/zinc/51/26/10/522512610.db2.gz CEMYTKJJHLFPDK-UHFFFAOYSA-N 0 0 436.296 2.612 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000012751368 522517925 /nfs/dbraw/zinc/51/79/25/522517925.db2.gz NYJNGIGUMJGRTI-UHFFFAOYSA-N 0 0 448.489 2.920 50 0 IFAARN CN(CC(=O)OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ncccn1 ZINC000040087939 522531818 /nfs/dbraw/zinc/53/18/18/522531818.db2.gz SJAVAUUVWLSDSC-OAHLLOKOSA-N 0 0 441.538 2.957 50 0 IFAARN CC[C@@H](CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000035334030 522541459 /nfs/dbraw/zinc/54/14/59/522541459.db2.gz PSHSNVYKFLYUOI-OALUTQOASA-N 0 0 447.576 2.831 50 0 IFAARN CNc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012521701 522657342 /nfs/dbraw/zinc/65/73/42/522657342.db2.gz QQOCDMLGUJTXQU-HNNXBMFYSA-N 0 0 431.514 2.697 50 0 IFAARN COc1cc(NC(=O)CN2C(=O)COc3ccccc32)cc2sc(NC(C)=O)nc21 ZINC000021883061 522657448 /nfs/dbraw/zinc/65/74/48/522657448.db2.gz INZXPFSGYHABFN-UHFFFAOYSA-N 0 0 426.454 2.627 50 0 IFAARN COc1cc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)ccc1OC(F)F ZINC000020606953 522677394 /nfs/dbraw/zinc/67/73/94/522677394.db2.gz BABFELXJXLFQDJ-UHFFFAOYSA-N 0 0 441.394 2.831 50 0 IFAARN CCc1nn(CCCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc3oc(C)cc3n21 ZINC000020862372 522704031 /nfs/dbraw/zinc/70/40/31/522704031.db2.gz UXGGJBRDIUFLCV-UHFFFAOYSA-N 0 0 436.468 2.938 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)cc(OC)c1 ZINC000035508276 522707431 /nfs/dbraw/zinc/70/74/31/522707431.db2.gz BYXJBTWNDLESKK-OAHLLOKOSA-N 0 0 435.484 2.980 50 0 IFAARN COc1cc(NC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc(OC)c1 ZINC000020901362 522715696 /nfs/dbraw/zinc/71/56/96/522715696.db2.gz LWPSBQCPWZBIOR-ZDUSSCGKSA-N 0 0 431.518 2.537 50 0 IFAARN COc1cc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(OC)cc1Cl ZINC000022512180 522716304 /nfs/dbraw/zinc/71/63/04/522716304.db2.gz WFQQZXZKCQMBHJ-QGZVFWFLSA-N 0 0 426.878 2.523 50 0 IFAARN COCC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1F ZINC000035961018 522720388 /nfs/dbraw/zinc/72/03/88/522720388.db2.gz JMUNQDWOQUSKDL-FQEVSTJZSA-N 0 0 443.475 2.625 50 0 IFAARN COCC(=O)N(C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035948412 522721384 /nfs/dbraw/zinc/72/13/84/522721384.db2.gz MHFNEYTWABKPTP-MRXNPFEDSA-N 0 0 431.514 2.548 50 0 IFAARN COc1cc(OC)cc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1 ZINC000069485452 522854221 /nfs/dbraw/zinc/85/42/21/522854221.db2.gz GUKISLRNJKVOOO-MRXNPFEDSA-N 0 0 445.497 2.629 50 0 IFAARN COc1cc(OC)cc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1 ZINC000069485451 522854801 /nfs/dbraw/zinc/85/48/01/522854801.db2.gz GUKISLRNJKVOOO-INIZCTEOSA-N 0 0 445.497 2.629 50 0 IFAARN COc1cc(OC)cc(N2C(=O)c3cc(C)nn3C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000035477319 522862249 /nfs/dbraw/zinc/86/22/49/522862249.db2.gz BOKVCMJEKNCFEL-XMMPIXPASA-N 0 0 434.496 2.944 50 0 IFAARN COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@]1(NC(=O)c1cccc(OC)c1)C(F)(F)F ZINC000012402662 522866571 /nfs/dbraw/zinc/86/65/71/522866571.db2.gz OWDOWTDNSPOXBE-FQEVSTJZSA-N 0 0 440.418 2.958 50 0 IFAARN COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000012741239 522868679 /nfs/dbraw/zinc/86/86/79/522868679.db2.gz OCSXYIGPZHQTBF-ABAIWWIYSA-N 0 0 433.313 2.694 50 0 IFAARN COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000012741235 522868755 /nfs/dbraw/zinc/86/87/55/522868755.db2.gz OCSXYIGPZHQTBF-IAQYHMDHSA-N 0 0 433.313 2.694 50 0 IFAARN CCc1noc(Cn2cnc3c4cc(C)ccc4n(CC(=O)N4CCC[C@H](C)C4)c3c2=O)n1 ZINC000033281252 522898957 /nfs/dbraw/zinc/89/89/57/522898957.db2.gz LODOASHIGFFHSP-INIZCTEOSA-N 0 0 448.527 2.912 50 0 IFAARN COCc1c(C(=O)NCCc2ccccn2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012510864 522899609 /nfs/dbraw/zinc/89/96/09/522899609.db2.gz XFFFKZSEKPHESQ-UHFFFAOYSA-N 0 0 432.459 2.982 50 0 IFAARN COc1cc([C@@H]2CN(C(=S)NC(C)C)C[C@@H]2C(=O)NCC(C)C)cc(OC)c1OC ZINC000036044689 522926193 /nfs/dbraw/zinc/92/61/93/522926193.db2.gz PAMMKIMCUCCHJM-IRXDYDNUSA-N 0 0 437.606 2.783 50 0 IFAARN COc1cc([C@@H]2CN(C(=O)c3ccco3)C[C@H]2C(=O)NCC(C)C)cc(OC)c1OC ZINC000036043954 522926303 /nfs/dbraw/zinc/92/63/03/522926303.db2.gz KOEAVEMFEFMSAY-DLBZAZTESA-N 0 0 430.501 2.933 50 0 IFAARN COc1cc([C@@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000012427962 522932125 /nfs/dbraw/zinc/93/21/25/522932125.db2.gz PZUVNKFKOAUDIU-QFIPXVFZSA-N 0 0 433.464 2.540 50 0 IFAARN COc1cc([C@H](CC(=O)N2CCOCC2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561619 522950144 /nfs/dbraw/zinc/95/01/44/522950144.db2.gz UHLANPAXOSQEPV-IBGZPJMESA-N 0 0 440.496 2.658 50 0 IFAARN COc1cc([C@H]2CN(C(=O)NC(C)(C)C)C[C@@H]2C(=O)NCC2CC2)cc(OC)c1OC ZINC000036044652 522962314 /nfs/dbraw/zinc/96/23/14/522962314.db2.gz VWGPEPSCESQRNI-SJORKVTESA-N 0 0 433.549 2.762 50 0 IFAARN COc1cc2[nH]c3c(ncn(CCC(=O)NCc4ccc(F)cc4F)c3=O)c2cc1OC ZINC000035424302 522987356 /nfs/dbraw/zinc/98/73/56/522987356.db2.gz NOQRELIQZXSVSL-UHFFFAOYSA-N 0 0 442.422 2.880 50 0 IFAARN COc1cc2c(cc(C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)n2C)c(OC)c1 ZINC000012324397 522996048 /nfs/dbraw/zinc/99/60/48/522996048.db2.gz RDWQJPDTQFJPCY-UHFFFAOYSA-N 0 0 439.468 2.725 50 0 IFAARN COc1ccc(-c2c3c(cn2-c2ccc(NC(C)=O)cc2)n(C)c(=O)n(C)c3=O)cc1OC ZINC000020727819 523080428 /nfs/dbraw/zinc/08/04/28/523080428.db2.gz VRXSDMZLHPZZJL-UHFFFAOYSA-N 0 0 448.479 2.671 50 0 IFAARN CCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)N3CCNC(=O)CC3)c21 ZINC000012218317 523083257 /nfs/dbraw/zinc/08/32/57/523083257.db2.gz LAYLTCHFNNMGHG-UHFFFAOYSA-N 0 0 437.475 2.783 50 0 IFAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NN3CCN(C)CC3)n2)cc1 ZINC000012844558 523106449 /nfs/dbraw/zinc/10/64/49/523106449.db2.gz GSKHGVHKTIOLJU-UHFFFAOYSA-N 0 0 441.479 2.542 50 0 IFAARN COc1ccc(-c2cc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)no2)cc1OC ZINC000012638956 523107843 /nfs/dbraw/zinc/10/78/43/523107843.db2.gz JEJBBFKSPYVMAY-UHFFFAOYSA-N 0 0 445.497 2.539 50 0 IFAARN COc1ccc(-c2cc(CN3CCN(S(=O)(=O)c4ccccc4F)CC3)on2)cc1 ZINC000012745403 523109247 /nfs/dbraw/zinc/10/92/47/523109247.db2.gz RJYQCVDYRPQNPF-UHFFFAOYSA-N 0 0 431.489 2.996 50 0 IFAARN COc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(C)c(C)c2)cc1 ZINC000012462280 523145835 /nfs/dbraw/zinc/14/58/35/523145835.db2.gz GGLBFRSKNRYGBO-UHFFFAOYSA-N 0 0 429.480 2.968 50 0 IFAARN CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)N[C@@H]3CCOC3)c21 ZINC000012098014 523147315 /nfs/dbraw/zinc/14/73/15/523147315.db2.gz XYJDVXSXUUXTJY-OAHLLOKOSA-N 0 0 428.514 2.684 50 0 IFAARN CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000022402557 523153147 /nfs/dbraw/zinc/15/31/47/523153147.db2.gz RCRZPZAPQCZMKY-UHFFFAOYSA-N 0 0 439.940 2.687 50 0 IFAARN COCCCN(C(=O)c1oc2ccc(F)cc2c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012772913 523194705 /nfs/dbraw/zinc/19/47/05/523194705.db2.gz HKMUZHGOUGKYCO-UHFFFAOYSA-N 0 0 446.479 2.652 50 0 IFAARN COC(=O)CNC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033113462 523195667 /nfs/dbraw/zinc/19/56/67/523195667.db2.gz RNMJXTFRKPBPFM-NSHDSACASA-N 0 0 437.909 2.506 50 0 IFAARN COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@H]1c1cccnc1 ZINC000034897627 523198706 /nfs/dbraw/zinc/19/87/06/523198706.db2.gz XLXCQPSCZFIKDR-PKTZIBPZSA-N 0 0 445.475 2.865 50 0 IFAARN CCn1c(CSc2nnc(C3CC3)o2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012547428 523201762 /nfs/dbraw/zinc/20/17/62/523201762.db2.gz FXEBZFVAZNUBBY-UHFFFAOYSA-N 0 0 449.558 2.630 50 0 IFAARN COCc1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(C(=O)C3CC3)CC2)n1 ZINC000036002828 523215713 /nfs/dbraw/zinc/21/57/13/523215713.db2.gz UYYHZRJGJIFAMA-UHFFFAOYSA-N 0 0 426.908 2.674 50 0 IFAARN CCn1c(SCc2nc(=O)c3c(-c4ccco4)csc3[nH]2)nnc1N1CCOCC1 ZINC000012778701 523243448 /nfs/dbraw/zinc/24/34/48/523243448.db2.gz LNESAVJDANZJPV-UHFFFAOYSA-N 0 0 444.542 2.985 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)n2N)cc1 ZINC000021283150 523257234 /nfs/dbraw/zinc/25/72/34/523257234.db2.gz PHXIGASNHDQQBL-NSHDSACASA-N 0 0 429.468 2.949 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CSc1nnc(C(F)(F)F)n1C ZINC000021226115 523266273 /nfs/dbraw/zinc/26/62/73/523266273.db2.gz NHFJLJCZSRCSRL-UHFFFAOYSA-N 0 0 448.496 2.746 50 0 IFAARN COCCCN([C@@H](C)c1ccccn1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000021650801 523270217 /nfs/dbraw/zinc/27/02/17/523270217.db2.gz VSSNSDITWZFENC-ZDUSSCGKSA-N 0 0 439.921 2.854 50 0 IFAARN COCCCN1C(=O)C[C@](CC(=O)N(CC2CC2)C[C@H]2CCCO2)(c2ccccc2)C1=O ZINC000012098584 523287275 /nfs/dbraw/zinc/28/72/75/523287275.db2.gz XAYMMWNXGJIZIK-PXDATVDWSA-N 0 0 442.556 2.528 50 0 IFAARN COCCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000020903129 523292898 /nfs/dbraw/zinc/29/28/98/523292898.db2.gz LQRCYLJBLBOJNS-XMMPIXPASA-N 0 0 443.544 2.968 50 0 IFAARN COCCCNC(=O)CN1CCN([C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000022783029 523323958 /nfs/dbraw/zinc/32/39/58/523323958.db2.gz BAUIOYMDEQPERS-RUZDIDTESA-N 0 0 448.567 2.862 50 0 IFAARN CN(Cc1ccccc1)C(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000022915166 523327058 /nfs/dbraw/zinc/32/70/58/523327058.db2.gz DGCZDBQBFQBTDL-UHFFFAOYSA-N 0 0 448.489 2.920 50 0 IFAARN COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)c1ccc(OC)c(OC)c1 ZINC000022190561 523336346 /nfs/dbraw/zinc/33/63/46/523336346.db2.gz PIYWBVMHPRGSTJ-HKUYNNGSSA-N 0 0 440.496 2.786 50 0 IFAARN COC(=O)C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Br)cc1 ZINC000012904788 523337660 /nfs/dbraw/zinc/33/76/60/523337660.db2.gz DMZVYZCVIZSFFZ-HNNXBMFYSA-N 0 0 433.258 2.814 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000012692321 523347582 /nfs/dbraw/zinc/34/75/82/523347582.db2.gz UQKKBLZFHYSSFR-UHFFFAOYSA-N 0 0 448.508 2.735 50 0 IFAARN COc1ccc(-n2nc3nc(N4CCN(C(C)=O)CC4)nc(-c4ccccc4)c3c2N)cc1 ZINC000035929468 523349595 /nfs/dbraw/zinc/34/95/95/523349595.db2.gz PQXULPDSMCJZBC-UHFFFAOYSA-N 0 0 443.511 2.742 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2)C[C@H]1c1ccc(OC)cc1OC ZINC000036060100 523361082 /nfs/dbraw/zinc/36/10/82/523361082.db2.gz MFULKJMHCOVFII-SFTDATJTSA-N 0 0 426.513 2.712 50 0 IFAARN COC(=O)NCCc1cc(OC)c(OC)cc1NC(=O)CCc1ccc2c(c1)OCO2 ZINC000012418151 523452689 /nfs/dbraw/zinc/45/26/89/523452689.db2.gz XVHSXGWZFWKUEI-UHFFFAOYSA-N 0 0 430.457 2.902 50 0 IFAARN CCn1cc2c(n1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)NCCC1=CCCCC1 ZINC000020577177 523487664 /nfs/dbraw/zinc/48/76/64/523487664.db2.gz MFPCQAKBOMHZEX-UHFFFAOYSA-N 0 0 435.528 2.684 50 0 IFAARN COc1ccc(Br)cc1CNC(=O)CCC(=O)N1CCCn2nc(C)cc21 ZINC000021532827 523497053 /nfs/dbraw/zinc/49/70/53/523497053.db2.gz RLDSMGGBBSPGME-UHFFFAOYSA-N 0 0 435.322 2.796 50 0 IFAARN COCCCn1c(C)cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1C ZINC000018083224 523498700 /nfs/dbraw/zinc/49/87/00/523498700.db2.gz JPQRJENBCOSVGQ-UHFFFAOYSA-N 0 0 425.485 2.737 50 0 IFAARN CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012433571 523500852 /nfs/dbraw/zinc/50/08/52/523500852.db2.gz PYJQRLPVRSUTRO-UHFFFAOYSA-N 0 0 429.440 2.754 50 0 IFAARN CO[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)C1 ZINC000012159847 523586981 /nfs/dbraw/zinc/58/69/81/523586981.db2.gz CMHPTWFDODBOSN-NLFFAJNJSA-N 0 0 435.524 2.614 50 0 IFAARN COc1ccc(C(=O)Cn2cnc3c2c(=O)n(C2CC2)c(=O)n3-c2ccccc2C)cc1 ZINC000034693363 523596975 /nfs/dbraw/zinc/59/69/75/523596975.db2.gz NACYORQSDRJESY-UHFFFAOYSA-N 0 0 430.464 2.884 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)c(C)cc2NC1=O ZINC000032959076 523603501 /nfs/dbraw/zinc/60/35/01/523603501.db2.gz VZYFWSNRERNHRM-SFHVURJKSA-N 0 0 449.573 2.564 50 0 IFAARN COC(=O)[C@@H](NC(=O)[C@@H]1Cc2nc(NC(=O)C3CCC3)sc2C(=O)C1)c1ccccc1 ZINC000012097697 523615321 /nfs/dbraw/zinc/61/53/21/523615321.db2.gz NWEVJJWLNXIZMB-PBHICJAKSA-N 0 0 441.509 2.657 50 0 IFAARN COC(=O)[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O)C(C)C ZINC000020733505 523619535 /nfs/dbraw/zinc/61/95/35/523619535.db2.gz NHZLCYVMDNFCPW-NRFANRHFSA-N 0 0 447.491 2.934 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(c3noc(C)n3)CCCCC2)C1=O ZINC000023508013 523630906 /nfs/dbraw/zinc/63/09/06/523630906.db2.gz FBYRNQZJQRTGKF-JOCHJYFZSA-N 0 0 425.489 2.511 50 0 IFAARN COc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)cc1OC ZINC000015680763 523645308 /nfs/dbraw/zinc/64/53/08/523645308.db2.gz PZVZZUDSVWVRMC-UHFFFAOYSA-N 0 0 426.498 2.754 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1OC)C(C)=O ZINC000035947683 523651627 /nfs/dbraw/zinc/65/16/27/523651627.db2.gz LRUQBSDUFXYCDT-QFIPXVFZSA-N 0 0 439.512 2.876 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1cc(C)ccc1C ZINC000035374264 523670231 /nfs/dbraw/zinc/67/02/31/523670231.db2.gz PBTDMSPFKZKYPS-UHFFFAOYSA-N 0 0 435.484 2.585 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)Nc1ccccc1 ZINC000035373941 523670668 /nfs/dbraw/zinc/67/06/68/523670668.db2.gz QTTCELSXGSUNEV-UHFFFAOYSA-N 0 0 431.496 2.569 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cc(C)ccc1C ZINC000035374046 523670740 /nfs/dbraw/zinc/67/07/40/523670740.db2.gz SKWYLUCUMIEDMX-UHFFFAOYSA-N 0 0 445.523 2.992 50 0 IFAARN COCCN(CCC(=O)NCc1cccnc1)C(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000035992946 523690820 /nfs/dbraw/zinc/69/08/20/523690820.db2.gz GPIKNZYLTJCEAV-UHFFFAOYSA-N 0 0 438.484 2.540 50 0 IFAARN CN1C(=O)C[C@@](CC(=O)N2CCC(Oc3cccnc3)CC2)(c2ccccc2Cl)C1=O ZINC000012210497 523703705 /nfs/dbraw/zinc/70/37/05/523703705.db2.gz PSFDWNUYRPTEOD-HSZRJFAPSA-N 0 0 441.915 2.822 50 0 IFAARN CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3cccc(Br)c3)ccc21 ZINC000015731683 523712788 /nfs/dbraw/zinc/71/27/88/523712788.db2.gz KNZGKOLMMFLXOO-UHFFFAOYSA-N 0 0 437.315 2.771 50 0 IFAARN CN1C(=O)c2cc(C(=O)NCCC3=CCCCC3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021874939 523727515 /nfs/dbraw/zinc/72/75/15/523727515.db2.gz ZNNNRIPPQMFWKP-DEOSSOPVSA-N 0 0 441.576 2.797 50 0 IFAARN CN1C(=O)c2cc(C(=O)NCCC3=CCCCC3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876188 523728286 /nfs/dbraw/zinc/72/82/86/523728286.db2.gz IBUGOQCRNARKBG-RUZDIDTESA-N 0 0 449.555 2.664 50 0 IFAARN CN1C(=O)c2cc(C(=O)N3CCCCCC3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000015723748 523728613 /nfs/dbraw/zinc/72/86/13/523728613.db2.gz YMZUFJBGDWOZPS-QHCPKHFHSA-N 0 0 429.565 2.583 50 0 IFAARN CN1C2=C(C(=O)N(CCC(=O)N3CCCC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035967663 523738239 /nfs/dbraw/zinc/73/82/39/523738239.db2.gz JYTWZVKQPALZPW-GOSISDBHSA-N 0 0 436.434 2.510 50 0 IFAARN COc1ccc(C(=O)Nc2ccnn2Cc2ccco2)cc1S(=O)(=O)N1CCCC1 ZINC000032988108 523760452 /nfs/dbraw/zinc/76/04/52/523760452.db2.gz JHVPWHABRVWZHM-UHFFFAOYSA-N 0 0 430.486 2.570 50 0 IFAARN COc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)o2)cc1OC ZINC000033290781 523766793 /nfs/dbraw/zinc/76/67/93/523766793.db2.gz DAIYIPAHLWHWTR-ZDUSSCGKSA-N 0 0 426.404 2.999 50 0 IFAARN COc1ccc(C(=O)[C@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1OC ZINC000021670241 523777999 /nfs/dbraw/zinc/77/79/99/523777999.db2.gz FWYHFYITVBULFA-RPWUZVMVSA-N 0 0 440.540 2.661 50 0 IFAARN COc1ccc(C(O)=C2[C@@H](c3ccc(O)c(OC)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035092931 523778311 /nfs/dbraw/zinc/77/83/11/523778311.db2.gz MFKHXFHMYVBDGS-FRQCXROJSA-N 0 0 440.374 2.513 50 0 IFAARN CCc1cc(CC)n(-c2nc3c(c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)n2C)n1 ZINC000012232124 523786616 /nfs/dbraw/zinc/78/66/16/523786616.db2.gz XVXPCXVNFGIDHG-UHFFFAOYSA-N 0 0 444.898 2.585 50 0 IFAARN CCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)o2)n1 ZINC000036028476 523796832 /nfs/dbraw/zinc/79/68/32/523796832.db2.gz OPUSLMNSWKQPHF-MRXNPFEDSA-N 0 0 432.546 2.670 50 0 IFAARN CN1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2F)c2nc3ccccc3nc21 ZINC000012775560 523800479 /nfs/dbraw/zinc/80/04/79/523800479.db2.gz AQWOQPQGZCHOFX-UHFFFAOYSA-N 0 0 425.439 2.901 50 0 IFAARN COCCN1C(=O)c2c(NC(C)=O)c3cc(F)ccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021866357 523807744 /nfs/dbraw/zinc/80/77/44/523807744.db2.gz ZVQJFIRYJROUKM-QHCPKHFHSA-N 0 0 444.507 2.659 50 0 IFAARN COCCN1C(=O)c2cc(-c3ccccc3)nn2C[C@@]1(C)C(=O)NCc1ccccc1OC ZINC000021854365 523809080 /nfs/dbraw/zinc/80/90/80/523809080.db2.gz LOPBWRWRGNWFLV-VWLOTQADSA-N 0 0 448.523 2.736 50 0 IFAARN CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1CCCc2ccccc21 ZINC000024071573 523821633 /nfs/dbraw/zinc/82/16/33/523821633.db2.gz PHLKAIQDAYKRCZ-OAQYLSRUSA-N 0 0 445.560 2.668 50 0 IFAARN COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020487136 523823080 /nfs/dbraw/zinc/82/30/80/523823080.db2.gz ZGXBVFMIHXKJHB-UHFFFAOYSA-N 0 0 445.541 2.517 50 0 IFAARN CC[C@H](C)CC(=O)N1CCC([C@@]2(Cc3cccc(F)c3)NC(=O)N(CCOC)C2=O)CC1 ZINC000012099208 523843103 /nfs/dbraw/zinc/84/31/03/523843103.db2.gz QYEIOXKECANWFI-BXKMTCNYSA-N 0 0 447.551 2.980 50 0 IFAARN CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)CCC(=O)Nc1ccccc1OC ZINC000015826194 523855851 /nfs/dbraw/zinc/85/58/51/523855851.db2.gz ZAJPOWOOJZTAOW-UHFFFAOYSA-N 0 0 441.509 2.810 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCN(C(=O)C4CC4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000012800880 523874977 /nfs/dbraw/zinc/87/49/77/523874977.db2.gz VYWGHJFEPQIEIR-NRFANRHFSA-N 0 0 436.512 2.520 50 0 IFAARN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCC34CC5CC(CC(C5)C3)C4)=C2)cc1 ZINC000020467453 523880528 /nfs/dbraw/zinc/88/05/28/523880528.db2.gz PXDVWZZCXZICQX-UHFFFAOYSA-N 0 0 443.569 2.891 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1F ZINC000020731328 523899773 /nfs/dbraw/zinc/89/97/73/523899773.db2.gz ALCVYUZHQVXZOY-FUHWJXTLSA-N 0 0 436.509 2.509 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F ZINC000020732840 523900359 /nfs/dbraw/zinc/90/03/59/523900359.db2.gz VOVOQNHZKKWNCL-GUYCJALGSA-N 0 0 442.463 2.779 50 0 IFAARN CCc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3ccc(OC)cc3OC)S2(=O)=O)cc1 ZINC000035534706 523902262 /nfs/dbraw/zinc/90/22/62/523902262.db2.gz AHBNGVIRPAHRRU-UHFFFAOYSA-N 0 0 444.509 2.808 50 0 IFAARN COCCNC(=O)NC(=O)CSc1nc(=O)c2c([nH]1)sc(C)c2-c1ccccc1 ZINC000024747014 523903740 /nfs/dbraw/zinc/90/37/40/523903740.db2.gz NDUGZZJMDYTLQF-UHFFFAOYSA-N 0 0 432.527 2.524 50 0 IFAARN COc1ccc(CC(=O)N[C@@H](C)CCCC(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000012811869 523903878 /nfs/dbraw/zinc/90/38/78/523903878.db2.gz DWQVIPJOOAXJHN-KRWDZBQOSA-N 0 0 426.579 2.590 50 0 IFAARN COCCNC(=O)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1c1cccc(OC)c1OC ZINC000036054264 523913602 /nfs/dbraw/zinc/91/36/02/523913602.db2.gz WTBGMDUPDQOUPA-RBUKOAKNSA-N 0 0 446.931 2.976 50 0 IFAARN CCc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(OC)c2OC)cc1 ZINC000012575835 523919114 /nfs/dbraw/zinc/91/91/14/523919114.db2.gz KYEAYCRRHNJFST-OAQYLSRUSA-N 0 0 439.556 2.615 50 0 IFAARN COCCNC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000021862483 523922189 /nfs/dbraw/zinc/92/21/89/523922189.db2.gz ARNQYJGSRWYIHO-QHCPKHFHSA-N 0 0 440.931 2.910 50 0 IFAARN CCc1ccc(CN2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021872943 523924522 /nfs/dbraw/zinc/92/45/22/523924522.db2.gz MRITUMHWLQZQDZ-XMMPIXPASA-N 0 0 438.528 2.706 50 0 IFAARN COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)N[C@H](C)c2ccc(OC)cc2)c1=O ZINC000012193414 523929090 /nfs/dbraw/zinc/92/90/90/523929090.db2.gz YLZUXPHZVDDARJ-QGZVFWFLSA-N 0 0 443.544 2.770 50 0 IFAARN CCc1ccc(CN2C[C@@H](NC(=O)[C@@H]3Cc4ccccc4CN3C)C[C@H]2C(=O)OC)cc1 ZINC000012131776 523929398 /nfs/dbraw/zinc/92/93/98/523929398.db2.gz PWNRZNSAHRYMBO-HJOGWXRNSA-N 0 0 435.568 2.538 50 0 IFAARN CCc1ccc(CNC(=O)CNC(=O)[C@]2(C)Cn3c(cc4ccccc43)C(=O)N2CC)cc1 ZINC000021919916 523933555 /nfs/dbraw/zinc/93/35/55/523933555.db2.gz KPEKBELXGGBGRA-SANMLTNESA-N 0 0 446.551 2.871 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 ZINC000024612684 523954044 /nfs/dbraw/zinc/95/40/44/523954044.db2.gz FJVFBLATUGTRCG-UHFFFAOYSA-N 0 0 434.533 2.735 50 0 IFAARN COc1ccc(CCNC(=O)c2[nH]nc3c2CN(C(=O)Cc2ccccc2OC)CC3)cc1 ZINC000034831993 523972441 /nfs/dbraw/zinc/97/24/41/523972441.db2.gz SQOGHAMSEZWFAW-UHFFFAOYSA-N 0 0 448.523 2.527 50 0 IFAARN CC[C@H](C)NC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012512064 523974428 /nfs/dbraw/zinc/97/44/28/523974428.db2.gz FVFWOKWPNHWCDT-LBPRGKRZSA-N 0 0 441.937 2.893 50 0 IFAARN CCc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)cc1 ZINC000012348076 523974997 /nfs/dbraw/zinc/97/49/97/523974997.db2.gz HDFUTZAZFRNERV-UHFFFAOYSA-N 0 0 429.933 2.890 50 0 IFAARN CCc1ccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3OC)c2=O)cc1 ZINC000012413388 523976188 /nfs/dbraw/zinc/97/61/88/523976188.db2.gz JYQLTMCDIBVCAU-UHFFFAOYSA-N 0 0 430.464 2.757 50 0 IFAARN CCc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000022714414 523977703 /nfs/dbraw/zinc/97/77/03/523977703.db2.gz UVWLROTVHJQRAY-UHFFFAOYSA-N 0 0 432.455 2.947 50 0 IFAARN COc1ccc(CCn2c(=S)[nH]c(=O)c3c2NCN(C[C@H]2CCCO2)C3)cc1OC ZINC000020567593 523985168 /nfs/dbraw/zinc/98/51/68/523985168.db2.gz PPCAGCKXXGXXAK-OAHLLOKOSA-N 0 0 432.546 2.530 50 0 IFAARN CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1 ZINC000015766509 523990481 /nfs/dbraw/zinc/99/04/81/523990481.db2.gz QPMUOJPWSLTSTH-HNNXBMFYSA-N 0 0 429.498 2.723 50 0 IFAARN COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000009218491 524015601 /nfs/dbraw/zinc/01/56/01/524015601.db2.gz DZSTVIVVIOJITG-IBGZPJMESA-N 0 0 435.567 2.562 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCCc1ccc(Cl)cc1)C(=O)CS2 ZINC000035402756 524026083 /nfs/dbraw/zinc/02/60/83/524026083.db2.gz QDEUYMLCIFLFKK-UHFFFAOYSA-N 0 0 431.945 2.839 50 0 IFAARN CN1N=C(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)CCC1=O ZINC000012716012 524029751 /nfs/dbraw/zinc/02/97/51/524029751.db2.gz ULZUKUMEVYVOMB-SFHVURJKSA-N 0 0 432.524 2.930 50 0 IFAARN COc1ccc(CN2CCN(C(=O)C3=NN(c4ccccc4)C(=O)CC3)CC2)cc1OC ZINC000012795920 524030580 /nfs/dbraw/zinc/03/05/80/524030580.db2.gz FKHLSTPLVBUNOE-UHFFFAOYSA-N 0 0 436.512 2.531 50 0 IFAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1n[nH]c(=O)n1C1CC1 ZINC000018973743 524043375 /nfs/dbraw/zinc/04/33/75/524043375.db2.gz ZCXBJBGHJNPTPL-UHFFFAOYSA-N 0 0 432.424 2.681 50 0 IFAARN CCc1ccc([C@H](C)NC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000034857664 524043574 /nfs/dbraw/zinc/04/35/74/524043574.db2.gz MACOFKQOEDUXRW-IBGZPJMESA-N 0 0 429.586 2.574 50 0 IFAARN COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 ZINC000012342361 524044617 /nfs/dbraw/zinc/04/46/17/524044617.db2.gz ZMQDFPRGLFCTKT-QFIPXVFZSA-N 0 0 433.508 2.820 50 0 IFAARN COc1ccc(CNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1OC ZINC000020259104 524052573 /nfs/dbraw/zinc/05/25/73/524052573.db2.gz FAECHJDVDHFPFZ-UHFFFAOYSA-N 0 0 426.425 2.921 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1c2cn(CC)nc2c(=O)n(Cc2ccccc2)c1=O ZINC000021713770 524063913 /nfs/dbraw/zinc/06/39/13/524063913.db2.gz OTUNKUXXRGFJKG-UHFFFAOYSA-N 0 0 445.523 2.937 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c(OC)c1 ZINC000015728154 524064637 /nfs/dbraw/zinc/06/46/37/524064637.db2.gz LPXFBWRSVSBCQB-INIZCTEOSA-N 0 0 427.530 2.879 50 0 IFAARN COc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)c(OC)c1 ZINC000021049440 524066025 /nfs/dbraw/zinc/06/60/25/524066025.db2.gz YPXOIWGMRGPDBK-UHFFFAOYSA-N 0 0 434.496 2.876 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC(=O)NC1CCCC1 ZINC000035560484 524117272 /nfs/dbraw/zinc/11/72/72/524117272.db2.gz VNYCMDOJEGTYTE-MRXNPFEDSA-N 0 0 433.574 2.588 50 0 IFAARN Cc1ccc(C)c(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCCC2)c1 ZINC000020928115 524119443 /nfs/dbraw/zinc/11/94/43/524119443.db2.gz RJHLRDQKCCKUJW-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN Cc1cccc(-c2nc3n(n2)c(=O)cc(C)n3CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000021802887 524120828 /nfs/dbraw/zinc/12/08/28/524120828.db2.gz CWUBCRQDZPIYIM-UHFFFAOYSA-N 0 0 442.523 2.524 50 0 IFAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)c1 ZINC000015941738 524127129 /nfs/dbraw/zinc/12/71/29/524127129.db2.gz WILCTNJUEAAAHT-UHFFFAOYSA-N 0 0 435.933 2.799 50 0 IFAARN Cc1ccc(C)c(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)c1 ZINC000020583644 524133815 /nfs/dbraw/zinc/13/38/15/524133815.db2.gz LIGNKLXBRZDLHR-UHFFFAOYSA-N 0 0 433.555 2.631 50 0 IFAARN COc1cccc([C@@H]2[C@H](C(=O)NCCN3CCOCC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928031 524135003 /nfs/dbraw/zinc/13/50/03/524135003.db2.gz HYBUNYVQQNBUCV-DNQXCXABSA-N 0 0 449.551 2.587 50 0 IFAARN Cc1cccc(-n2ncc3c2nc2n(c3=O)[C@H](CC(=O)NCc3cccnc3)CS2)c1 ZINC000012663928 524148055 /nfs/dbraw/zinc/14/80/55/524148055.db2.gz ROCUKGOFOOZAJG-QGZVFWFLSA-N 0 0 432.509 2.639 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2)c1 ZINC000009749350 524187703 /nfs/dbraw/zinc/18/77/03/524187703.db2.gz CMIOWIUWUIPZJF-FQEVSTJZSA-N 0 0 443.569 2.992 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)c1 ZINC000012551898 524187774 /nfs/dbraw/zinc/18/77/74/524187774.db2.gz YGOXJDJCKMJOCV-UHFFFAOYSA-N 0 0 442.516 2.979 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000012853423 524190544 /nfs/dbraw/zinc/19/05/44/524190544.db2.gz IRYSOTGOFUTLDG-UHFFFAOYSA-N 0 0 434.992 2.714 50 0 IFAARN COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN2CCOCC2)c1 ZINC000022610870 524190519 /nfs/dbraw/zinc/19/05/19/524190519.db2.gz MNRXAKLMGCQRCM-QFIPXVFZSA-N 0 0 434.492 2.987 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000012539180 524190743 /nfs/dbraw/zinc/19/07/43/524190743.db2.gz KXOBPKHDOKGOAZ-UHFFFAOYSA-N 0 0 435.977 2.974 50 0 IFAARN C[C@@H]1CCCN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)C1 ZINC000009662270 524193533 /nfs/dbraw/zinc/19/35/33/524193533.db2.gz UJQFPTNBMXTAES-QGZVFWFLSA-N 0 0 442.537 2.853 50 0 IFAARN Cc1ccc(C2(c3noc(CN4CCN([C@H]5CCS(=O)(=O)C5)CC4)n3)CCCC2)cc1 ZINC000023373683 524227595 /nfs/dbraw/zinc/22/75/95/524227595.db2.gz QTTGJBFGYYZGFT-FQEVSTJZSA-N 0 0 444.601 2.543 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000012928589 524240639 /nfs/dbraw/zinc/24/06/39/524240639.db2.gz CLJGYYGTLVMDEZ-QGZVFWFLSA-N 0 0 425.554 2.985 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c2cccnc2n(Cc2ccccc2)c(=O)c1=O ZINC000035450101 524243548 /nfs/dbraw/zinc/24/35/48/524243548.db2.gz YPSPJULRZIWPHD-LJQANCHMSA-N 0 0 442.519 2.744 50 0 IFAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)NC[C@H]4CCCO4)c3c2=O)cc1 ZINC000035371877 524264340 /nfs/dbraw/zinc/26/43/40/524264340.db2.gz PTPFQFKIAVBCJC-LJQANCHMSA-N 0 0 446.507 2.703 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1cncc(Br)c1 ZINC000021330924 524280033 /nfs/dbraw/zinc/28/00/33/524280033.db2.gz AWZZUKUTTLOFJM-ZDUSSCGKSA-N 0 0 434.290 2.761 50 0 IFAARN COc1ccc(F)cc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000012907784 524297758 /nfs/dbraw/zinc/29/77/58/524297758.db2.gz XNMYIWPYHXVEQB-UHFFFAOYSA-N 0 0 442.878 2.996 50 0 IFAARN COc1ccccc1C(=O)N=S1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012367199 524345951 /nfs/dbraw/zinc/34/59/51/524345951.db2.gz YXWUJZUPPDICHN-UHFFFAOYSA-N 0 0 426.947 2.995 50 0 IFAARN COc1ccc(N(Cc2nc3ccccc3[nH]2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000021167142 524370875 /nfs/dbraw/zinc/37/08/75/524370875.db2.gz VTUZHWKMULDNOM-MSOLQXFVSA-N 0 0 428.539 2.847 50 0 IFAARN Cc1cccc(CN(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000022298763 524383279 /nfs/dbraw/zinc/38/32/79/524383279.db2.gz YGWXTVHJCBVRDA-UHFFFAOYSA-N 0 0 435.977 2.613 50 0 IFAARN COc1ccccc1CCNC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000012371755 524419947 /nfs/dbraw/zinc/41/99/47/524419947.db2.gz MRBHFKKCMUEQEW-UHFFFAOYSA-N 0 0 435.889 2.678 50 0 IFAARN Cc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000015680158 524428277 /nfs/dbraw/zinc/42/82/77/524428277.db2.gz UORGDYSCIFJYDD-QHCPKHFHSA-N 0 0 449.617 2.587 50 0 IFAARN Cc1cc(C)cc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC000021682834 524456776 /nfs/dbraw/zinc/45/67/76/524456776.db2.gz GMKAPPPIIJMYHY-UHFFFAOYSA-N 0 0 431.558 2.996 50 0 IFAARN Cc1ccc(CN2CCN(CC(=O)Nc3ccc(Br)cc3)S2(=O)=O)cc1 ZINC000021633982 524458811 /nfs/dbraw/zinc/45/88/11/524458811.db2.gz PMJUZUVBAGXKQY-UHFFFAOYSA-N 0 0 438.347 2.759 50 0 IFAARN COc1ccc(NC(=O)C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC000016955202 524460271 /nfs/dbraw/zinc/46/02/71/524460271.db2.gz BJSKJLQNSCTDLY-FQEVSTJZSA-N 0 0 431.920 2.867 50 0 IFAARN COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl ZINC000012382661 524464954 /nfs/dbraw/zinc/46/49/54/524464954.db2.gz XDEMAVYMTSLYAC-UHFFFAOYSA-N 0 0 426.922 2.731 50 0 IFAARN COc1ccccc1CNC(=O)[C@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000015726688 524475560 /nfs/dbraw/zinc/47/55/60/524475560.db2.gz MVFQMNARJYHURB-ZIAGYGMSSA-N 0 0 448.566 2.854 50 0 IFAARN COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1 ZINC000012541204 524485829 /nfs/dbraw/zinc/48/58/29/524485829.db2.gz DXMHJBQMBSCVIY-UHFFFAOYSA-N 0 0 443.525 2.769 50 0 IFAARN COc1ccc(NC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@@H]3C2=O)cc1 ZINC000035445506 524497007 /nfs/dbraw/zinc/49/70/07/524497007.db2.gz UZQFLWQEBKHDGU-HXUWFJFHSA-N 0 0 436.512 2.741 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2CCC(C)C)n1 ZINC000012231647 524499042 /nfs/dbraw/zinc/49/90/42/524499042.db2.gz QHUFINKTUAFJPA-UHFFFAOYSA-N 0 0 438.507 2.933 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2C(C)C)n1 ZINC000012231527 524499241 /nfs/dbraw/zinc/49/92/41/524499241.db2.gz CHHQVODXKRKNCY-UHFFFAOYSA-N 0 0 426.908 2.982 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2CCC(C)C)n1 ZINC000012231650 524499676 /nfs/dbraw/zinc/49/96/76/524499676.db2.gz LTBXLCSECYIGNX-UHFFFAOYSA-N 0 0 438.507 2.933 50 0 IFAARN COc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)cc1 ZINC000035396705 524527272 /nfs/dbraw/zinc/52/72/72/524527272.db2.gz GNTKDLDVVWOVNE-UHFFFAOYSA-N 0 0 426.494 2.945 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(OCc3ccccc3C)c(=O)cc2CO)cc1OC ZINC000012231266 524531720 /nfs/dbraw/zinc/53/17/20/524531720.db2.gz SKGPYPTVDJLTDH-UHFFFAOYSA-N 0 0 438.480 2.884 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(OCc3ccccc3F)c(=O)cc2CO)cc1OC ZINC000012230948 524531759 /nfs/dbraw/zinc/53/17/59/524531759.db2.gz XUHZLNBHOQKPQF-UHFFFAOYSA-N 0 0 442.443 2.715 50 0 IFAARN COc1ccc(NC(=O)N2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)c(OC)c1 ZINC000020556709 524542627 /nfs/dbraw/zinc/54/26/27/524542627.db2.gz BXVFZRHQSKDGGY-UHFFFAOYSA-N 0 0 426.448 2.786 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000001120777 524551258 /nfs/dbraw/zinc/55/12/58/524551258.db2.gz HEQZKIBJTUEGCD-UHFFFAOYSA-N 0 0 443.569 2.832 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc4ccccc4o3)CC2)c1 ZINC000012445103 524558486 /nfs/dbraw/zinc/55/84/86/524558486.db2.gz MKULXLNDFIFOBP-UHFFFAOYSA-N 0 0 427.526 2.623 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)CC1 ZINC000001052729 524560392 /nfs/dbraw/zinc/56/03/92/524560392.db2.gz ITIXPPCFQQTDCH-UHFFFAOYSA-N 0 0 437.521 2.949 50 0 IFAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)Nc3cccc(C)c3)n2)CC1 ZINC000035375464 524563749 /nfs/dbraw/zinc/56/37/49/524563749.db2.gz SATJHCLOSNBVQD-UHFFFAOYSA-N 0 0 433.512 2.526 50 0 IFAARN Cc1cccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000012821564 524585781 /nfs/dbraw/zinc/58/57/81/524585781.db2.gz UDRDAUUBPBQGAN-UHFFFAOYSA-N 0 0 449.960 2.900 50 0 IFAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)c1C ZINC000035452547 524590219 /nfs/dbraw/zinc/59/02/19/524590219.db2.gz RONUHLGBLNDWQD-HNNXBMFYSA-N 0 0 431.514 2.590 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000012661764 524592052 /nfs/dbraw/zinc/59/20/52/524592052.db2.gz MMJWYJANUZFJAW-BTYIYWSLSA-N 0 0 426.425 2.511 50 0 IFAARN COc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1 ZINC000021779660 524610831 /nfs/dbraw/zinc/61/08/31/524610831.db2.gz QDWHHRLPSUMROA-UHFFFAOYSA-N 0 0 428.514 2.725 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)cc1 ZINC000033262172 524613006 /nfs/dbraw/zinc/61/30/06/524613006.db2.gz QMUSFZWXLMVIKX-AWEZNQCLSA-N 0 0 430.486 2.718 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1NS(C)(=O)=O ZINC000012526384 524613019 /nfs/dbraw/zinc/61/30/19/524613019.db2.gz VFAKSKIEKZXDIN-ZDUSSCGKSA-N 0 0 437.543 2.619 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N(C)C ZINC000012688620 524613050 /nfs/dbraw/zinc/61/30/50/524613050.db2.gz ALFIDPXNPDBSDM-AWEZNQCLSA-N 0 0 441.550 2.531 50 0 IFAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000012882419 524621079 /nfs/dbraw/zinc/62/10/79/524621079.db2.gz UEHDPZJXRLFTPG-INIZCTEOSA-N 0 0 434.514 2.551 50 0 IFAARN Cc1cccc(NC(=O)N2CCN(Cc3nc4cc(C(=O)N(C)C)ccc4n3C)CC2)c1 ZINC000033275752 524622306 /nfs/dbraw/zinc/62/23/06/524622306.db2.gz BLKYYPGZGPSLTN-UHFFFAOYSA-N 0 0 434.544 2.933 50 0 IFAARN COc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000012692314 524636171 /nfs/dbraw/zinc/63/61/71/524636171.db2.gz SZRSFSBFNZSHFC-PMACEKPBSA-N 0 0 433.464 2.837 50 0 IFAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1Cl ZINC000012030581 524643922 /nfs/dbraw/zinc/64/39/22/524643922.db2.gz UOWUUHORRWXFBT-HNNXBMFYSA-N 0 0 443.930 2.562 50 0 IFAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)cn1 ZINC000012548400 524644255 /nfs/dbraw/zinc/64/42/55/524644255.db2.gz BOAUXCNADACQBA-UHFFFAOYSA-N 0 0 427.438 2.872 50 0 IFAARN COc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1S(N)(=O)=O ZINC000012765009 524652062 /nfs/dbraw/zinc/65/20/62/524652062.db2.gz OEWUCEVIEDTHBQ-UHFFFAOYSA-N 0 0 433.511 2.939 50 0 IFAARN COc1ccccc1OCCNC(=O)[C@@H](CCSC)NC(=O)COc1ccccc1 ZINC000032999719 524676706 /nfs/dbraw/zinc/67/67/06/524676706.db2.gz XMEVCMXGQSCNPJ-GOSISDBHSA-N 0 0 432.542 2.507 50 0 IFAARN C[C@H]1CN2C(=O)Cc3c2c(ccc3S(=O)(=O)N2CCN(Cc3ccccc3)CC2)S1 ZINC000020530283 524680845 /nfs/dbraw/zinc/68/08/45/524680845.db2.gz MNOBKGJNWCMBEZ-INIZCTEOSA-N 0 0 443.594 2.576 50 0 IFAARN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCCC3=O)cc2)c1C ZINC000012536121 524689007 /nfs/dbraw/zinc/68/90/07/524689007.db2.gz HKERUKAEJWMEAE-UHFFFAOYSA-N 0 0 429.542 2.847 50 0 IFAARN COc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2OC)CC1 ZINC000012364825 524690257 /nfs/dbraw/zinc/69/02/57/524690257.db2.gz UEWKPCZAPGTTGO-HDICACEKSA-N 0 0 442.512 2.609 50 0 IFAARN COc1ccccc1S(=O)(=O)N[C@@H](CCSC)C(=O)N1CCc2ccccc2C1 ZINC000020886944 524704629 /nfs/dbraw/zinc/70/46/29/524704629.db2.gz QHYMVNGNEVJHDS-SFHVURJKSA-N 0 0 434.583 2.680 50 0 IFAARN COc1ccc(Nc2nc(N3CCN(C(=O)c4ccco4)CC3)nc3c2cnn3C)cc1 ZINC000021928730 524720306 /nfs/dbraw/zinc/72/03/06/524720306.db2.gz RIARVFWJNKKJBD-UHFFFAOYSA-N 0 0 433.472 2.671 50 0 IFAARN Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)N[C@H](C)c3ccccc3)c3cccnc32)cc1 ZINC000035450309 524760888 /nfs/dbraw/zinc/76/08/88/524760888.db2.gz VHYFPXILBAUHHV-GOSISDBHSA-N 0 0 428.492 2.792 50 0 IFAARN COc1ccccc1[C@@]1(CC(=O)N2CCCC[C@@H]2c2nccs2)CC(=O)N(C)C1=O ZINC000014879887 524765980 /nfs/dbraw/zinc/76/59/80/524765980.db2.gz KFQPVVQQRPANKX-ZHRRBRCNSA-N 0 0 427.526 2.922 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)NC[C@@H]3CCCO3)no2)c1 ZINC000036014743 524789757 /nfs/dbraw/zinc/78/97/57/524789757.db2.gz SJGHABHVOFTMSR-QFBILLFUSA-N 0 0 443.500 2.649 50 0 IFAARN COc1ccc(OC)c(CN2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)c1 ZINC000022913960 524828040 /nfs/dbraw/zinc/82/80/40/524828040.db2.gz AXCJQXATLIOGDW-UHFFFAOYSA-N 0 0 428.920 2.912 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cc(-c4ccccc4)no3)CC2)c1 ZINC000012777722 524876860 /nfs/dbraw/zinc/87/68/60/524876860.db2.gz COXDXKGEKCZEQV-UHFFFAOYSA-N 0 0 443.525 2.865 50 0 IFAARN C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)C1 ZINC000022295298 524885953 /nfs/dbraw/zinc/88/59/53/524885953.db2.gz RNFVIONDHHBPMU-KBPBESRZSA-N 0 0 430.530 2.718 50 0 IFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C1 ZINC000015912199 524887698 /nfs/dbraw/zinc/88/76/98/524887698.db2.gz MOXWAWKOULDSGT-HOTGVXAUSA-N 0 0 427.526 2.952 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1 ZINC000012569502 524893830 /nfs/dbraw/zinc/89/38/30/524893830.db2.gz XSKPBNDTIWOPCR-WIRVKHDMSA-N 0 0 429.517 2.868 50 0 IFAARN Cc1ccc(N(CC(=O)NCc2cccc(Br)c2)S(=O)(=O)N(C)C)cc1 ZINC000021717427 524894123 /nfs/dbraw/zinc/89/41/23/524894123.db2.gz AQOBLGAUNNXJDA-UHFFFAOYSA-N 0 0 440.363 2.687 50 0 IFAARN COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000015824067 524900581 /nfs/dbraw/zinc/90/05/81/524900581.db2.gz UHBXTWBPYZCOBG-UHFFFAOYSA-N 0 0 445.526 2.659 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 ZINC000012893975 524913548 /nfs/dbraw/zinc/91/35/48/524913548.db2.gz UWTPQYVWRGTCAD-DVECYGJZSA-N 0 0 437.496 2.835 50 0 IFAARN COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)on3)nc21 ZINC000022768265 524923802 /nfs/dbraw/zinc/92/38/02/524923802.db2.gz YWCADHCPANUGSN-UHFFFAOYSA-N 0 0 446.529 2.979 50 0 IFAARN COc1ccc(OCCNC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)cc1 ZINC000012556563 524959764 /nfs/dbraw/zinc/95/97/64/524959764.db2.gz RZZJNVCQBHZQFX-UHFFFAOYSA-N 0 0 440.525 2.968 50 0 IFAARN C[C@H](NC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21)c1nc2ccccc2[nH]1 ZINC000020987083 524975520 /nfs/dbraw/zinc/97/55/20/524975520.db2.gz RVIIRWKXHHCRQV-ZDUSSCGKSA-N 0 0 445.508 2.930 50 0 IFAARN Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cn21 ZINC000012675419 524976478 /nfs/dbraw/zinc/97/64/78/524976478.db2.gz KMQVHJLQZNYPSF-IYBDPMFKSA-N 0 0 428.514 2.693 50 0 IFAARN C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O)c1cc2ccccc2o1 ZINC000023349184 524977753 /nfs/dbraw/zinc/97/77/53/524977753.db2.gz NBUSLUMLQCVZHW-LBPRGKRZSA-N 0 0 425.470 2.739 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)NC3CCCCCC3)ccc2N1C(=O)C1CC1 ZINC000020529680 524982392 /nfs/dbraw/zinc/98/23/92/524982392.db2.gz KCTYDDFELHECDT-INIZCTEOSA-N 0 0 447.601 2.882 50 0 IFAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000012533942 524984223 /nfs/dbraw/zinc/98/42/23/524984223.db2.gz MDLHSVMHXJBSSX-JTQLQIEISA-N 0 0 438.431 2.541 50 0 IFAARN COc1ccc(O[C@H](C)C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000012758634 524985356 /nfs/dbraw/zinc/98/53/56/524985356.db2.gz ZJWAKOHDIODKGV-QGZVFWFLSA-N 0 0 444.528 2.833 50 0 IFAARN Cc1cc(F)ccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000021112266 524987024 /nfs/dbraw/zinc/98/70/24/524987024.db2.gz LDMYXIQTSZBJII-UHFFFAOYSA-N 0 0 445.516 2.740 50 0 IFAARN C[C@H]1Cn2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)c3c(Cl)ccc(c32)O1 ZINC000020532011 524998461 /nfs/dbraw/zinc/99/84/61/524998461.db2.gz PMVYXWOAVZMNTL-ZDUSSCGKSA-N 0 0 441.871 2.627 50 0 IFAARN Cc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)c4ccco4)CC3)cc2=O)s1 ZINC000041077385 525015576 /nfs/dbraw/zinc/01/55/76/525015576.db2.gz PIYSAVBDFUUGHC-UHFFFAOYSA-N 0 0 435.509 2.677 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 ZINC000012346060 525028446 /nfs/dbraw/zinc/02/84/46/525028446.db2.gz VWQAUHBUBNHTKG-MBOBHEEDSA-N 0 0 449.529 2.668 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000020614752 525040280 /nfs/dbraw/zinc/04/02/80/525040280.db2.gz NWLWQEDIXFPRDA-UHFFFAOYSA-N 0 0 430.526 2.657 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000022848685 525043960 /nfs/dbraw/zinc/04/39/60/525043960.db2.gz PTMLAAAPWZHBPQ-LJQANCHMSA-N 0 0 426.536 2.737 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000036022464 525044936 /nfs/dbraw/zinc/04/49/36/525044936.db2.gz SOVQHDRHFCLJBW-HZPDHXFCSA-N 0 0 430.526 2.696 50 0 IFAARN Cc1ccc(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)cc1S(N)(=O)=O ZINC000012561554 525046450 /nfs/dbraw/zinc/04/64/50/525046450.db2.gz GQHNBWCPIAGABN-UHFFFAOYSA-N 0 0 430.574 2.703 50 0 IFAARN COc1ccc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000036049211 525046959 /nfs/dbraw/zinc/04/69/59/525046959.db2.gz JDQBELHAACIHED-LEWJYISDSA-N 0 0 432.517 2.861 50 0 IFAARN Cc1ccc(NC(=O)CN2c3ccc(S(=O)(=O)N4CCCC4)cc3CCC2=O)cc1 ZINC000021031436 525059809 /nfs/dbraw/zinc/05/98/09/525059809.db2.gz ZNUHYJFLQXCXOU-UHFFFAOYSA-N 0 0 427.526 2.697 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3ccccc3N(C)C)C2)cc1 ZINC000012306865 525062360 /nfs/dbraw/zinc/06/23/60/525062360.db2.gz WMXKGQATPAJUHJ-KRWDZBQOSA-N 0 0 431.558 2.592 50 0 IFAARN C[C@H]1Oc2ccccc2C=C1/C=c1/sc2nc(=O)c(Cc3ccc(F)cc3)nn2c1=O ZINC000032968070 525064698 /nfs/dbraw/zinc/06/46/98/525064698.db2.gz DBVSCMFKXBONLB-HMHKGCENSA-N 0 0 433.464 2.605 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCCC2)cc1OC ZINC000012197425 525065425 /nfs/dbraw/zinc/06/54/25/525065425.db2.gz PNUZHDMHKUQOIT-QGZVFWFLSA-N 0 0 434.514 2.548 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)cc1 ZINC000033115276 525079687 /nfs/dbraw/zinc/07/96/87/525079687.db2.gz QKRYPXICZIRPCI-LJQANCHMSA-N 0 0 430.526 2.823 50 0 IFAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)cc1C ZINC000012348117 525085872 /nfs/dbraw/zinc/08/58/72/525085872.db2.gz MUBWHEOBXYMLPY-UHFFFAOYSA-N 0 0 429.933 2.944 50 0 IFAARN COc1ccc(S(=O)(=O)c2c(N)n(CC(=O)Nc3cccc(C)c3)nc2SC)cc1 ZINC000020597859 525092502 /nfs/dbraw/zinc/09/25/02/525092502.db2.gz MABCJSYBPHVHSG-UHFFFAOYSA-N 0 0 446.554 2.976 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000012747219 525095905 /nfs/dbraw/zinc/09/59/05/525095905.db2.gz MKEXCQQGZZJVIX-GOSISDBHSA-N 0 0 437.949 2.563 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(Br)c1 ZINC000012878932 525100679 /nfs/dbraw/zinc/10/06/79/525100679.db2.gz SVCKDMURJHENOF-UHFFFAOYSA-N 0 0 428.286 2.768 50 0 IFAARN Cc1cc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n(-c2ccc(C)cc2)n1 ZINC000022793427 525139613 /nfs/dbraw/zinc/13/96/13/525139613.db2.gz JWOFPCJBAXVKLC-UHFFFAOYSA-N 0 0 447.539 2.974 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)c(Cl)c1 ZINC000001078420 525148538 /nfs/dbraw/zinc/14/85/38/525148538.db2.gz LARMZOJPCUTPOD-UHFFFAOYSA-N 0 0 443.903 2.733 50 0 IFAARN Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)CC1 ZINC000033262119 525149363 /nfs/dbraw/zinc/14/93/63/525149363.db2.gz QDOSVYAEKQJHOH-UHFFFAOYSA-N 0 0 428.514 2.695 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc(F)c(F)c1 ZINC000020567968 525154564 /nfs/dbraw/zinc/15/45/64/525154564.db2.gz UZOBSAQNKMFQHG-UHFFFAOYSA-N 0 0 437.468 2.606 50 0 IFAARN Cc1ccccc1CNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1cnn2C ZINC000021930492 525170606 /nfs/dbraw/zinc/17/06/06/525170606.db2.gz BFQRKQCPHAMDOH-UHFFFAOYSA-N 0 0 431.500 2.839 50 0 IFAARN COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2SC)N2CCOCC2)cc1 ZINC000023107454 525182358 /nfs/dbraw/zinc/18/23/58/525182358.db2.gz SPODYUBPVVPYPT-LJQANCHMSA-N 0 0 429.542 2.545 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 ZINC000033231562 525199059 /nfs/dbraw/zinc/19/90/59/525199059.db2.gz HIEVSYMEIYXXMT-MRXNPFEDSA-N 0 0 436.555 2.588 50 0 IFAARN C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(-n2cncn2)cc1 ZINC000012870909 525201120 /nfs/dbraw/zinc/20/11/20/525201120.db2.gz LFRUQEINHWUUJK-ZDUSSCGKSA-N 0 0 433.921 2.662 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c(C)c1 ZINC000020326844 525201906 /nfs/dbraw/zinc/20/19/06/525201906.db2.gz RQLYTDLHNCVIKS-MRXNPFEDSA-N 0 0 443.525 2.788 50 0 IFAARN Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)no1 ZINC000012769266 525216059 /nfs/dbraw/zinc/21/60/59/525216059.db2.gz WXUWYGALJBPAGF-SNVBAGLBSA-N 0 0 434.337 2.846 50 0 IFAARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nnnn32)c(OC)c1OC ZINC000012467893 525218519 /nfs/dbraw/zinc/21/85/19/525218519.db2.gz VFKNUJCMNFBXPA-QGZVFWFLSA-N 0 0 429.477 2.864 50 0 IFAARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012548410 525246840 /nfs/dbraw/zinc/24/68/40/525246840.db2.gz FBBPETIDHUSDPS-ZDUSSCGKSA-N 0 0 431.445 2.977 50 0 IFAARN Cc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)C1 ZINC000035378814 525258132 /nfs/dbraw/zinc/25/81/32/525258132.db2.gz VBUHAUDXMZFTOM-MRXNPFEDSA-N 0 0 443.525 2.674 50 0 IFAARN CS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000012698672 525270051 /nfs/dbraw/zinc/27/00/51/525270051.db2.gz MKAKBUSWUYIOGU-UHFFFAOYSA-N 0 0 436.555 2.907 50 0 IFAARN C[C@@H](NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)c1cccs1 ZINC000012431237 525331542 /nfs/dbraw/zinc/33/15/42/525331542.db2.gz SAMUJTHMMAAGFT-OAHLLOKOSA-N 0 0 437.587 2.889 50 0 IFAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000012679164 525332229 /nfs/dbraw/zinc/33/22/29/525332229.db2.gz ZIQBVWPFPWFONG-UQBPGWFLSA-N 0 0 449.507 2.979 50 0 IFAARN Cc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 ZINC000021713171 525333381 /nfs/dbraw/zinc/33/33/81/525333381.db2.gz LQRSVPZMQKTKBS-LJQANCHMSA-N 0 0 427.526 2.679 50 0 IFAARN COc1ccc([C@H](CC(=O)NCc2nnc3ccc(C(F)(F)F)cn32)NC(C)=O)cc1 ZINC000021446273 525344890 /nfs/dbraw/zinc/34/48/90/525344890.db2.gz BBRRNMUZNFDYES-INIZCTEOSA-N 0 0 435.406 2.640 50 0 IFAARN COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(SC)c2)N2CCOCC2)cc1 ZINC000023107422 525355474 /nfs/dbraw/zinc/35/54/74/525355474.db2.gz GTVUWKXQMMQRIO-FQEVSTJZSA-N 0 0 429.542 2.545 50 0 IFAARN Cc1nc(SCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)[nH]c1Cc1ccccc1 ZINC000012532119 525414084 /nfs/dbraw/zinc/41/40/84/525414084.db2.gz BRPZMFAOPFAAIQ-CQSZACIVSA-N 0 0 444.582 2.926 50 0 IFAARN Cc1nc(Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)[nH]c1Cc1ccccc1 ZINC000012556871 525416042 /nfs/dbraw/zinc/41/60/42/525416042.db2.gz PPZPFVGGYRJVDI-UHFFFAOYSA-N 0 0 430.555 2.876 50 0 IFAARN Cc1cc(S(N)(=O)=O)cc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1C ZINC000012531440 525428622 /nfs/dbraw/zinc/42/86/22/525428622.db2.gz BBWUXPAKQLYDDT-UHFFFAOYSA-N 0 0 426.420 2.958 50 0 IFAARN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000020726097 525447085 /nfs/dbraw/zinc/44/70/85/525447085.db2.gz SVLVSWGCULQKJA-IRLDBZIGSA-N 0 0 435.480 2.586 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])n(CC(C)C)c(=O)n(CC(C)C)c1=O ZINC000020612226 525483471 /nfs/dbraw/zinc/48/34/71/525483471.db2.gz ZSWBXUKXGMQWOZ-OAQYLSRUSA-N 0 0 440.544 2.753 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1 ZINC000012868994 525494597 /nfs/dbraw/zinc/49/45/97/525494597.db2.gz PEITVRNBXCDXEK-UHFFFAOYSA-N 0 0 439.541 2.798 50 0 IFAARN COc1ccc2[nH]cc(CCNS(=O)(=O)c3cc4oc(=O)n(C)c4cc3Cl)c2c1 ZINC000012428013 525495132 /nfs/dbraw/zinc/49/51/32/525495132.db2.gz ZFDDOFJPERMQNX-UHFFFAOYSA-N 0 0 435.889 2.796 50 0 IFAARN C[C@@H]1Cc2cc(C(=O)N[C@@H](c3nccn3C)c3ccccc3F)ccc2N1S(C)(=O)=O ZINC000012519858 525519653 /nfs/dbraw/zinc/51/96/53/525519653.db2.gz GRUVPEPMQBUPJK-JLTOFOAXSA-N 0 0 442.516 2.789 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1 ZINC000012577258 525528832 /nfs/dbraw/zinc/52/88/32/525528832.db2.gz COVUBVAKCOXXAG-LJQANCHMSA-N 0 0 427.570 2.669 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000012777032 525528918 /nfs/dbraw/zinc/52/89/18/525528918.db2.gz FGUDJMCQKMYBKT-SFHVURJKSA-N 0 0 433.549 2.708 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)Cn1ncc(Br)c(Br)c1=O ZINC000024037524 525530133 /nfs/dbraw/zinc/53/01/33/525530133.db2.gz VUVGICOLJAOWHX-SECBINFHSA-N 0 0 427.096 2.746 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000001119187 525531248 /nfs/dbraw/zinc/53/12/48/525531248.db2.gz JWHRFMQFCQQNSZ-LJQANCHMSA-N 0 0 445.560 2.884 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000012905859 525533934 /nfs/dbraw/zinc/53/39/34/525533934.db2.gz BBOBZFULWGMNMB-OAQYLSRUSA-N 0 0 441.553 2.813 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOc3ccccc3F)CC2)c(C)c1 ZINC000012793772 525539421 /nfs/dbraw/zinc/53/94/21/525539421.db2.gz UUUXQHKTXZOJQN-UHFFFAOYSA-N 0 0 435.521 2.537 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccc(Cl)cc4C3)CC2)cc1 ZINC000012805192 525539636 /nfs/dbraw/zinc/53/96/36/525539636.db2.gz SSBPFENGUFYDOI-QGZVFWFLSA-N 0 0 434.945 2.733 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCCc4ccccc43)CC2)c(C)c1 ZINC000034854172 525541007 /nfs/dbraw/zinc/54/10/07/525541007.db2.gz APBSRRFXRYKZRG-JOCHJYFZSA-N 0 0 441.597 2.804 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)c(C)c1 ZINC000012798800 525542440 /nfs/dbraw/zinc/54/24/40/525542440.db2.gz VKWWFSJMHHVNML-UHFFFAOYSA-N 0 0 430.526 2.611 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000035872096 525550541 /nfs/dbraw/zinc/55/05/41/525550541.db2.gz JHHVXLQUXXBDDO-FYYLOGMGSA-N 0 0 447.514 2.808 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)N1CCCC1=O ZINC000032954646 525551079 /nfs/dbraw/zinc/55/10/79/525551079.db2.gz QCIVFTQDICKFKW-QGZVFWFLSA-N 0 0 434.558 2.528 50 0 IFAARN C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000009631159 525568320 /nfs/dbraw/zinc/56/83/20/525568320.db2.gz VODMWVRHJYXKRF-ABPVARSCSA-N 0 0 433.961 2.967 50 0 IFAARN C[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000096925350 525568865 /nfs/dbraw/zinc/56/88/65/525568865.db2.gz ODEWQMMTSNUIPL-FNDLEWIFSA-N 0 0 438.553 2.869 50 0 IFAARN Cc1c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cnn1-c1ccccc1F ZINC000012874865 525570061 /nfs/dbraw/zinc/57/00/61/525570061.db2.gz WYIZAQHRWSIYEX-UHFFFAOYSA-N 0 0 448.545 2.964 50 0 IFAARN Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NC3CCC(C)CC3)cc1CC2 ZINC000020510566 525587838 /nfs/dbraw/zinc/58/78/38/525587838.db2.gz BWZCBFCGSHYAJG-UHFFFAOYSA-N 0 0 440.544 2.717 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)Nc3ccccc3)CC1)O[C@H](C)C(=O)N2 ZINC000032959055 525613307 /nfs/dbraw/zinc/61/33/07/525613307.db2.gz CDHMWQURCJFSMF-OAHLLOKOSA-N 0 0 443.525 2.754 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCN3C[C@H](C)O[C@@H](C)C3)c2)cc1F ZINC000022612540 525613435 /nfs/dbraw/zinc/61/34/35/525613435.db2.gz SQXSMLQCZIKLNK-IRXDYDNUSA-N 0 0 449.548 2.774 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N3CCCC[C@@H]3C)CC1)O[C@@H](C)C(=O)N2 ZINC000032958917 525613888 /nfs/dbraw/zinc/61/38/88/525613888.db2.gz GOXGFNRBSBPLFA-HOTGVXAUSA-N 0 0 449.573 2.516 50 0 IFAARN C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000022385916 525614014 /nfs/dbraw/zinc/61/40/14/525614014.db2.gz BUHINJUYCFAUKV-HNNXBMFYSA-N 0 0 448.445 2.953 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NC3CCCCC3)C1)O[C@H](C)C(=O)N2 ZINC000035379066 525614046 /nfs/dbraw/zinc/61/40/46/525614046.db2.gz UFFFYNPFUARUKD-CVEARBPZSA-N 0 0 449.573 2.564 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)C3CCCCC3)C1)OCC(=O)N2 ZINC000035378824 525614500 /nfs/dbraw/zinc/61/45/00/525614500.db2.gz SISAOQVKGDVBAS-INIZCTEOSA-N 0 0 449.573 2.518 50 0 IFAARN COc1ccc2cc(CN(C)C(=O)COC(=O)c3c(C)oc4ncn(C)c(=O)c43)ccc2c1 ZINC000024175870 525625550 /nfs/dbraw/zinc/62/55/50/525625550.db2.gz QAULFVGSTJGMIM-UHFFFAOYSA-N 0 0 449.463 2.812 50 0 IFAARN Cc1c(C(=O)NCc2ccc(C)cc2)c(C)n2cnn(CC(=O)Nc3ccccc3)c(=O)c12 ZINC000033293008 525628306 /nfs/dbraw/zinc/62/83/06/525628306.db2.gz JZYMKPPFWUDLHC-UHFFFAOYSA-N 0 0 443.507 2.990 50 0 IFAARN Cc1ccc(S(=O)(=O)c2cnc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc2N)cc1 ZINC000033301837 525631866 /nfs/dbraw/zinc/63/18/66/525631866.db2.gz XAQIEDRWMVWMDU-UHFFFAOYSA-N 0 0 447.561 2.694 50 0 IFAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CN4CCN(c5ccccn5)CC4)C3=O)ccc2c1 ZINC000023908536 525638175 /nfs/dbraw/zinc/63/81/75/525638175.db2.gz DCWNLZORKRLWSB-RUZDIDTESA-N 0 0 445.523 2.790 50 0 IFAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@@H]1CCCO1)N(Cc1cccnc1)C3=O ZINC000021859772 525646097 /nfs/dbraw/zinc/64/60/97/525646097.db2.gz SKMPWRQMZLJOPA-NBGIEHNGSA-N 0 0 448.523 2.755 50 0 IFAARN Cc1cc2oc(=O)cc(COC(=O)CCNS(=O)(=O)c3ccc(F)cc3)c2cc1C ZINC000012769429 525690686 /nfs/dbraw/zinc/69/06/86/525690686.db2.gz IHFKRDNMRZZLOZ-UHFFFAOYSA-N 0 0 433.457 2.961 50 0 IFAARN COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)NC4CCCC4)[C@@H]5C3=O)nc2c1 ZINC000015905447 525695394 /nfs/dbraw/zinc/69/53/94/525695394.db2.gz IYFIFVRJEYGKAR-OQYZPLRDSA-N 0 0 425.510 2.650 50 0 IFAARN Cc1ccnc2nc(C(=O)N(Cc3ccccc3)Cc3nc4ccccc4c(=O)[nH]3)nn21 ZINC000012882042 525717436 /nfs/dbraw/zinc/71/74/36/525717436.db2.gz MKWZZXAVJVYFSX-UHFFFAOYSA-N 0 0 425.452 2.512 50 0 IFAARN Cc1ccnc2nc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCCC4)nn21 ZINC000012904190 525721265 /nfs/dbraw/zinc/72/12/65/525721265.db2.gz BPRKGIYCMKCALS-CYBMUJFWSA-N 0 0 440.529 2.534 50 0 IFAARN COc1cccc(-c2nc(CS[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)cs2)c1 ZINC000012931315 525725430 /nfs/dbraw/zinc/72/54/30/525725430.db2.gz QGIBWIIWVOGAOF-JSGCOSHPSA-N 0 0 426.585 2.744 50 0 IFAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000017635770 525729118 /nfs/dbraw/zinc/72/91/18/525729118.db2.gz AMDKNBOBUZRZSN-MRXNPFEDSA-N 0 0 429.473 2.604 50 0 IFAARN Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@]21c2ccccc2N(CC(N)=O)C1=O ZINC000020720639 525751449 /nfs/dbraw/zinc/75/14/49/525751449.db2.gz KDWOILACKSEBHE-QFIPXVFZSA-N 0 0 435.871 2.944 50 0 IFAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000021203723 525769902 /nfs/dbraw/zinc/76/99/02/525769902.db2.gz UVIZNZOYFZDRSP-UHFFFAOYSA-N 0 0 446.479 2.606 50 0 IFAARN C[C@@]1(C(=O)NC2CCCCCC2)CN(S(C)(=O)=O)CC(=O)N1c1cccc(Cl)c1 ZINC000021528379 525793824 /nfs/dbraw/zinc/79/38/24/525793824.db2.gz SSWWOTMSELBSIJ-FQEVSTJZSA-N 0 0 441.981 2.546 50 0 IFAARN COc1cccc(C(=O)NC[C@H]2CCC3(CCN(C(=O)c4ccncc4)CC3)O2)c1OC ZINC000012452075 525821248 /nfs/dbraw/zinc/82/12/48/525821248.db2.gz RZXLWVVKILVFIR-GOSISDBHSA-N 0 0 439.512 2.683 50 0 IFAARN C[C@@]1(C2CCN(C(=O)C=Cc3cccnc3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000012212529 525823186 /nfs/dbraw/zinc/82/31/86/525823186.db2.gz HKPCGQMNKUCZHF-OKHPUOTASA-N 0 0 436.487 2.983 50 0 IFAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)CCOc3ccc(Cl)cc3)C2=O)cc1 ZINC000023763552 525870548 /nfs/dbraw/zinc/87/05/48/525870548.db2.gz DFANGHRMADGPKJ-JOCHJYFZSA-N 0 0 429.904 2.953 50 0 IFAARN Cc1c(N[C@@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)c(=O)n(-c2ccccc2)n1C ZINC000035682707 525874240 /nfs/dbraw/zinc/87/42/40/525874240.db2.gz MPMLYLFZNSBTHL-LJQANCHMSA-N 0 0 435.528 2.939 50 0 IFAARN C[C@@H](OC(=O)/C=C/c1nc2ccccc2o1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000012908137 525884311 /nfs/dbraw/zinc/88/43/11/525884311.db2.gz JTJXKOKXZWFZOG-ANYFNZRUSA-N 0 0 447.369 2.945 50 0 IFAARN C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)s1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000012795307 525885970 /nfs/dbraw/zinc/88/59/70/525885970.db2.gz NLNBXBJYOPDWDZ-SNVBAGLBSA-N 0 0 444.918 2.582 50 0 IFAARN C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)N1CC(=O)Nc2ccccc21 ZINC000024753415 525887803 /nfs/dbraw/zinc/88/78/03/525887803.db2.gz NZWLAFQQXBGREO-XMHCIUCPSA-N 0 0 437.477 2.532 50 0 IFAARN Cc1ccc(-n2nc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)ccc2=O)cc1 ZINC000035534570 525930319 /nfs/dbraw/zinc/93/03/19/525930319.db2.gz YWOAOBHJVPQNPQ-UHFFFAOYSA-N 0 0 438.915 2.922 50 0 IFAARN COc1cccc(CN2CCCN(CC(=O)Nc3cccc(SC)c3)S2(=O)=O)c1 ZINC000021629310 525936468 /nfs/dbraw/zinc/93/64/68/525936468.db2.gz BNGMGEVNOCHNMS-UHFFFAOYSA-N 0 0 435.571 2.808 50 0 IFAARN COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2ccc3ccccc32)c1 ZINC000012448578 525949113 /nfs/dbraw/zinc/94/91/13/525949113.db2.gz CTWOABKMSYTWRL-HSZRJFAPSA-N 0 0 434.540 2.547 50 0 IFAARN Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)o1 ZINC000012528719 525953416 /nfs/dbraw/zinc/95/34/16/525953416.db2.gz PACVCUHMLCPRBC-ZHACJKMWSA-N 0 0 432.498 2.958 50 0 IFAARN C[C@H](C(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1)N1CCCC1=O ZINC000012466220 525960281 /nfs/dbraw/zinc/96/02/81/525960281.db2.gz ICHCDGCMTJLBSA-GOSISDBHSA-N 0 0 437.544 2.629 50 0 IFAARN CSc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c(=O)[nH]c4cccnc43)cc2)cc1 ZINC000021533320 525985600 /nfs/dbraw/zinc/98/56/00/525985600.db2.gz FOZMRSSNOZYOPQ-UHFFFAOYSA-N 0 0 446.532 2.828 50 0 IFAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)NC(=O)NC(C)(C)C ZINC000022188648 526001424 /nfs/dbraw/zinc/00/14/24/526001424.db2.gz KHFJDLQWMYFKMI-CQSZACIVSA-N 0 0 431.562 2.567 50 0 IFAARN C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(=O)Nc1sccc1C(N)=O ZINC000012774221 526014100 /nfs/dbraw/zinc/01/41/00/526014100.db2.gz RXHQPZPXTWONPI-IINYFYTJSA-N 0 0 445.526 2.607 50 0 IFAARN Cc1ccc(C(=O)CCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)s1 ZINC000012787923 526035645 /nfs/dbraw/zinc/03/56/45/526035645.db2.gz CETJPTDCWUEYCS-LJQANCHMSA-N 0 0 428.510 2.530 50 0 IFAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000012763355 526047426 /nfs/dbraw/zinc/04/74/26/526047426.db2.gz BQCXGMJJTAZFFN-UHFFFAOYSA-N 0 0 432.571 2.543 50 0 IFAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000021873724 526050456 /nfs/dbraw/zinc/05/04/56/526050456.db2.gz UUDSPPYZIKGHOR-QHCPKHFHSA-N 0 0 440.931 2.764 50 0 IFAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCN3C(=O)COc4ccccc43)c2C)no1 ZINC000017989735 526069017 /nfs/dbraw/zinc/06/90/17/526069017.db2.gz WDNFRFQUTSRNJS-UHFFFAOYSA-N 0 0 437.452 2.932 50 0 IFAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1=O ZINC000012600296 526101720 /nfs/dbraw/zinc/10/17/20/526101720.db2.gz PFUSUBPWJPLBFT-CVBYOTHMSA-N 0 0 448.523 2.571 50 0 IFAARN Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1NC(=O)c1ccco1 ZINC000035336351 526110145 /nfs/dbraw/zinc/11/01/45/526110145.db2.gz QKAFIDLGPOIRFW-UHFFFAOYSA-N 0 0 438.528 2.611 50 0 IFAARN Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)NC[C@@H]3CCCO3)c2n1 ZINC000020579742 526116442 /nfs/dbraw/zinc/11/64/42/526116442.db2.gz GYEPAHDFOPVSJF-KRWDZBQOSA-N 0 0 439.899 2.885 50 0 IFAARN CSc1cccc(NC(=S)N(CCN2CCOCC2)C2CCN(C(C)=O)CC2)c1 ZINC000020730331 526139613 /nfs/dbraw/zinc/13/96/13/526139613.db2.gz JNXZLWVCESYYDE-UHFFFAOYSA-N 0 0 436.647 2.750 50 0 IFAARN C[C@H](C(=O)Nc1ccc(NC(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)cc1)n1cncn1 ZINC000239761365 526143718 /nfs/dbraw/zinc/14/37/18/526143718.db2.gz CJRVKCADSWLJSR-NSISKUIASA-N 0 0 442.520 2.670 50 0 IFAARN Cc1cc(=O)n2c3c(cc(S(=O)(=O)N4CCN(c5ccccc5F)CC4)cc31)CC2 ZINC000012444906 526143714 /nfs/dbraw/zinc/14/37/14/526143714.db2.gz AZDQRMWBYBDKDJ-UHFFFAOYSA-N 0 0 427.501 2.516 50 0 IFAARN COc1cccc(N2CCN(C(=O)C3CCN(c4ncnc5onc(C)c54)CC3)CC2)c1 ZINC000020944941 526146567 /nfs/dbraw/zinc/14/65/67/526146567.db2.gz BRJPZPJDUWHYMX-UHFFFAOYSA-N 0 0 436.516 2.500 50 0 IFAARN CSc1ccccc1C(=O)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000012767159 526148452 /nfs/dbraw/zinc/14/84/52/526148452.db2.gz DGHMOEHIOWSRDD-UHFFFAOYSA-N 0 0 447.582 2.950 50 0 IFAARN COc1cccc(N2CCN(C(=O)CN3c4cccc5cccc(c45)S3(=O)=O)CC2)c1 ZINC000012537128 526149040 /nfs/dbraw/zinc/14/90/40/526149040.db2.gz VJVPMKPKESZTPK-UHFFFAOYSA-N 0 0 437.521 2.706 50 0 IFAARN COc1cccc(N2CCN(C(=O)CCn3nc(-c4ccc(F)cc4)ccc3=O)CC2)c1 ZINC000041252923 526149282 /nfs/dbraw/zinc/14/92/82/526149282.db2.gz RBDPLZSPVGNXCC-UHFFFAOYSA-N 0 0 436.487 2.797 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(=C(C)C)C(=O)N4)CC2)c1 ZINC000020577762 526154620 /nfs/dbraw/zinc/15/46/20/526154620.db2.gz DIRARKSTPZMJPI-UHFFFAOYSA-N 0 0 427.526 2.952 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(C(=O)N4CCCC4)cs3)CC2)c1 ZINC000035405018 526155802 /nfs/dbraw/zinc/15/58/02/526155802.db2.gz NUSMBSVCVNEAGR-UHFFFAOYSA-N 0 0 435.571 2.504 50 0 IFAARN C[C@H](c1ccon1)N(C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000012453870 526160476 /nfs/dbraw/zinc/16/04/76/526160476.db2.gz IZSPKQKCGBJNPN-IQGLISFBSA-N 0 0 446.507 2.919 50 0 IFAARN COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccc4ccccc4c3)CC2=O)c1 ZINC000020730111 526161622 /nfs/dbraw/zinc/16/16/22/526161622.db2.gz UTFBJTRQSZAUEB-FQEVSTJZSA-N 0 0 431.492 2.748 50 0 IFAARN CSc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012886792 526166765 /nfs/dbraw/zinc/16/67/65/526166765.db2.gz DGHSZWUWTQDKMW-UHFFFAOYSA-N 0 0 445.610 2.842 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000023651674 526168439 /nfs/dbraw/zinc/16/84/39/526168439.db2.gz UVXLSJDWXGNRDB-UHFFFAOYSA-N 0 0 443.301 2.995 50 0 IFAARN Cc1ccc(C(=O)NC[C@@H]2Cc3cccc(-c4cncnc4)c3O2)cc1N1CCNC1=O ZINC000012127005 526177380 /nfs/dbraw/zinc/17/73/80/526177380.db2.gz ATLOYQBYKJJECY-IBGZPJMESA-N 0 0 429.480 2.715 50 0 IFAARN COc1cccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)c1 ZINC000012446358 526182964 /nfs/dbraw/zinc/18/29/64/526182964.db2.gz CVPRVFMYIZYPQM-UHFFFAOYSA-N 0 0 430.464 2.812 50 0 IFAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012770400 526184714 /nfs/dbraw/zinc/18/47/14/526184714.db2.gz JKSCVIWFFKYLLD-WMLDXEAASA-N 0 0 426.498 2.843 50 0 IFAARN COc1cccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3c2ccc(OC)c3OC)c1 ZINC000012661736 526197733 /nfs/dbraw/zinc/19/77/33/526197733.db2.gz LJFFVCJOZDSDQX-BTYIYWSLSA-N 0 0 426.425 2.511 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(Cc2ccccc2F)n1N ZINC000021108812 526216637 /nfs/dbraw/zinc/21/66/37/526216637.db2.gz DNODSUOMZKZAPJ-ZDUSSCGKSA-N 0 0 440.504 2.578 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(C)n2n1 ZINC000012554472 526218970 /nfs/dbraw/zinc/21/89/70/526218970.db2.gz GTEBSRPDZIFQDL-UHFFFAOYSA-N 0 0 428.537 2.884 50 0 IFAARN CSc1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1-c1ccccc1 ZINC000012813187 526221975 /nfs/dbraw/zinc/22/19/75/526221975.db2.gz JVOBAMNMJPDYJL-GFCCVEGCSA-N 0 0 437.481 2.948 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012805874 526256795 /nfs/dbraw/zinc/25/67/95/526256795.db2.gz AFCVYTWXTSVZND-YOEHRIQHSA-N 0 0 448.416 2.995 50 0 IFAARN Cc1nn(CC(=O)Nc2ccc(F)c(F)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000012860052 526268554 /nfs/dbraw/zinc/26/85/54/526268554.db2.gz DXQHTXCJJBBAQC-UHFFFAOYSA-N 0 0 426.489 2.837 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)N1CC(=O)Nc2ccccc21 ZINC000021009838 526305270 /nfs/dbraw/zinc/30/52/70/526305270.db2.gz IKMRPGZCGQKVMT-UHFFFAOYSA-N 0 0 439.946 2.788 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000012795099 526306779 /nfs/dbraw/zinc/30/67/79/526306779.db2.gz CFGFBOJRCBCWJM-KRWDZBQOSA-N 0 0 428.558 2.964 50 0 IFAARN O=C(C1CCN(c2nc3ccccc3[nH]2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021158672 526308063 /nfs/dbraw/zinc/30/80/63/526308063.db2.gz GZYXYULVOIOKMA-UHFFFAOYSA-N 0 0 447.539 2.852 50 0 IFAARN Cc1csc(CC(=O)N2CCN(CC(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)n1 ZINC000035269293 526332043 /nfs/dbraw/zinc/33/20/43/526332043.db2.gz DMZIJKQKRYYVHK-INIZCTEOSA-N 0 0 426.542 2.762 50 0 IFAARN O=C(NCCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(NC(=O)C2CC2)cc1 ZINC000021682968 526338181 /nfs/dbraw/zinc/33/81/81/526338181.db2.gz UUBJGLCSJTXOPI-UHFFFAOYSA-N 0 0 441.553 2.622 50 0 IFAARN Cc1nnc(NC(=O)CSc2nnc(N3CCN(c4ccccc4)CC3)s2)s1 ZINC000023140068 526363713 /nfs/dbraw/zinc/36/37/13/526363713.db2.gz JJCGJBMMDMPSLR-UHFFFAOYSA-N 0 0 433.588 2.755 50 0 IFAARN O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NCCN1CCOCC1 ZINC000035562025 526366207 /nfs/dbraw/zinc/36/62/07/526366207.db2.gz DXUJPXIRUUGQEG-UHFFFAOYSA-N 0 0 432.952 2.512 50 0 IFAARN O=C(CCC(=O)N1CCCCC1)N1CCc2cc(S(=O)(=O)NC3CCCCC3)ccc21 ZINC000035398915 526378101 /nfs/dbraw/zinc/37/81/01/526378101.db2.gz IYXRYCROYUJHJW-UHFFFAOYSA-N 0 0 447.601 2.979 50 0 IFAARN O=C(CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCCC3)ccc21)N1CCCC1 ZINC000035398889 526382443 /nfs/dbraw/zinc/38/24/43/526382443.db2.gz OJJHLPNTHUNLIR-UHFFFAOYSA-N 0 0 433.574 2.543 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000020901349 526403690 /nfs/dbraw/zinc/40/36/90/526403690.db2.gz HSCCHXGDZOKWQE-HNNXBMFYSA-N 0 0 433.965 2.894 50 0 IFAARN O=C(CCC1CCN(C(=O)CN2CCOC2=O)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000012458479 526409158 /nfs/dbraw/zinc/40/91/58/526409158.db2.gz URJUAXNAXUQIGP-UHFFFAOYSA-N 0 0 441.450 2.793 50 0 IFAARN O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000021833421 526425806 /nfs/dbraw/zinc/42/58/06/526425806.db2.gz CUNRNVHWUQAREE-UHFFFAOYSA-N 0 0 428.510 2.820 50 0 IFAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012796174 526432834 /nfs/dbraw/zinc/43/28/34/526432834.db2.gz YBUGDUCEJAVDDO-KRWDZBQOSA-N 0 0 427.501 2.766 50 0 IFAARN Cc1nnsc1C(=O)NC[C@@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 ZINC000012282510 526444303 /nfs/dbraw/zinc/44/43/03/526444303.db2.gz ZYQUBMZZWTUXPL-HNNXBMFYSA-N 0 0 429.523 2.651 50 0 IFAARN O=C(CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)N1CCc2ccccc2C1 ZINC000021640515 526467956 /nfs/dbraw/zinc/46/79/56/526467956.db2.gz OOEICPGZMDDULV-UHFFFAOYSA-N 0 0 431.471 2.927 50 0 IFAARN O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012764334 526505707 /nfs/dbraw/zinc/50/57/07/526505707.db2.gz PFODPUHKUVBZBO-UHFFFAOYSA-N 0 0 437.468 2.508 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NC1CCCCCCC1 ZINC000021111897 526511981 /nfs/dbraw/zinc/51/19/81/526511981.db2.gz AMUUMOPOPUDVMN-UHFFFAOYSA-N 0 0 447.601 2.883 50 0 IFAARN Cc1nnc(CCNC(=O)[C@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)[nH]1 ZINC000012315123 526523112 /nfs/dbraw/zinc/52/31/12/526523112.db2.gz XQUMOFMLCZMTNK-SFHVURJKSA-N 0 0 431.544 2.634 50 0 IFAARN O=C(NC[C@H](O)c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012408368 526577428 /nfs/dbraw/zinc/57/74/28/526577428.db2.gz GGPOEESMRLVAST-NRFANRHFSA-N 0 0 428.485 2.768 50 0 IFAARN O=C(c1cc(-c2ccccn2)n[nH]1)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000033267504 526593063 /nfs/dbraw/zinc/59/30/63/526593063.db2.gz YCSLXCKFWXYOCU-UHFFFAOYSA-N 0 0 440.301 2.832 50 0 IFAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000021535119 526597119 /nfs/dbraw/zinc/59/71/19/526597119.db2.gz KYBVNTOYTWYZSB-UHFFFAOYSA-N 0 0 432.509 2.647 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000021600812 526601049 /nfs/dbraw/zinc/60/10/49/526601049.db2.gz GSFWPNZSIUACGQ-JKSUJKDBSA-N 0 0 425.460 2.726 50 0 IFAARN O=C(c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012229822 526602661 /nfs/dbraw/zinc/60/26/61/526602661.db2.gz WIYXUFGLFQHOJD-SFHVURJKSA-N 0 0 448.976 2.736 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)c2)no1 ZINC000035557998 526623186 /nfs/dbraw/zinc/62/31/86/526623186.db2.gz JLERYZUUCVOVCL-UHFFFAOYSA-N 0 0 446.554 2.824 50 0 IFAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)NCCN1CCOCC1 ZINC000033255172 526636407 /nfs/dbraw/zinc/63/64/07/526636407.db2.gz IGJVBEUCBIBXIB-UHFFFAOYSA-N 0 0 448.523 2.649 50 0 IFAARN O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012760504 526653080 /nfs/dbraw/zinc/65/30/80/526653080.db2.gz KTYBAWIEMCPEFK-UHFFFAOYSA-N 0 0 441.553 2.637 50 0 IFAARN O=C(CCc1nc2ccccc2o1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009665658 526654362 /nfs/dbraw/zinc/65/43/62/526654362.db2.gz DGEKTMMHOWEGOT-UHFFFAOYSA-N 0 0 439.537 2.782 50 0 IFAARN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000022697800 526657840 /nfs/dbraw/zinc/65/78/40/526657840.db2.gz BWRVSFKKBLMKHY-UHFFFAOYSA-N 0 0 428.508 2.570 50 0 IFAARN O=C(CCc1nnc(-c2ccccc2)o1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000021899173 526662066 /nfs/dbraw/zinc/66/20/66/526662066.db2.gz SPZVLCYJGWKBIC-UHFFFAOYSA-N 0 0 442.497 2.798 50 0 IFAARN O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1 ZINC000033262243 526673452 /nfs/dbraw/zinc/67/34/52/526673452.db2.gz JPXPQBBNTXAEJH-OAHLLOKOSA-N 0 0 432.477 2.526 50 0 IFAARN O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCN(Cc2cccs2)CC1 ZINC000022201120 526674844 /nfs/dbraw/zinc/67/48/44/526674844.db2.gz YBHNCEYOOKNSHZ-UHFFFAOYSA-N 0 0 439.990 2.800 50 0 IFAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)NC[C@H]1COc2ccccc2O1 ZINC000022459199 526683581 /nfs/dbraw/zinc/68/35/81/526683581.db2.gz LMIYREZMAPLHJE-AWEZNQCLSA-N 0 0 444.285 2.505 50 0 IFAARN O=C(CN(Cc1ccco1)C(=O)C1CC1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036061738 526700151 /nfs/dbraw/zinc/70/01/51/526700151.db2.gz YLNMBICDOOUVIR-UHFFFAOYSA-N 0 0 445.523 2.824 50 0 IFAARN O=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)NCCCc1ccccc1 ZINC000035558899 526708604 /nfs/dbraw/zinc/70/86/04/526708604.db2.gz OEBMOBVDULKZAN-UHFFFAOYSA-N 0 0 435.524 2.787 50 0 IFAARN O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(Cc2ccsc2)CC1 ZINC000012599380 526711881 /nfs/dbraw/zinc/71/18/81/526711881.db2.gz DMFGWJQKQWLQDE-UHFFFAOYSA-N 0 0 445.566 2.778 50 0 IFAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000016685372 526712207 /nfs/dbraw/zinc/71/22/07/526712207.db2.gz PGXUXGAMARWYER-UHFFFAOYSA-N 0 0 435.506 2.773 50 0 IFAARN O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000012887518 526715210 /nfs/dbraw/zinc/71/52/10/526715210.db2.gz AXXQLMJSEOMOIG-HBIPQXQFSA-N 0 0 441.534 2.592 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(I)cc1 ZINC000012750016 526715427 /nfs/dbraw/zinc/71/54/27/526715427.db2.gz LDKBLGTZUTUXRU-IBGZPJMESA-N 0 0 446.244 2.867 50 0 IFAARN O=C(NCc1cccc(F)c1)C1CCN(c2nn3c(nc4c(c3=O)CCCC4)s2)CC1 ZINC000021664239 526717317 /nfs/dbraw/zinc/71/73/17/526717317.db2.gz GMXJODZCMUVZAA-UHFFFAOYSA-N 0 0 441.532 2.702 50 0 IFAARN O=C(CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)Nc1nccs1 ZINC000035445840 526718454 /nfs/dbraw/zinc/71/84/54/526718454.db2.gz BDUPCDQAEUSSLM-QGZVFWFLSA-N 0 0 439.541 2.723 50 0 IFAARN O=C(NCc1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281116 526746983 /nfs/dbraw/zinc/74/69/83/526746983.db2.gz FCZRFXKFDBDGMP-OAHLLOKOSA-N 0 0 436.946 2.814 50 0 IFAARN Cc1oc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000040131259 526758230 /nfs/dbraw/zinc/75/82/30/526758230.db2.gz HKXXULBLMVRKGK-HNNXBMFYSA-N 0 0 443.529 2.786 50 0 IFAARN O=C(CN1CCN(C(=O)CN2CCc3ccccc32)CC1)Nc1ccccc1C(F)(F)F ZINC000012517304 526761480 /nfs/dbraw/zinc/76/14/80/526761480.db2.gz FJPDKOQXAHIGMB-UHFFFAOYSA-N 0 0 446.473 2.851 50 0 IFAARN O=C(c1cccc(F)c1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000041108725 526764064 /nfs/dbraw/zinc/76/40/64/526764064.db2.gz VEBHLGUHWZEDJD-UHFFFAOYSA-N 0 0 449.511 2.915 50 0 IFAARN O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000024427178 526766521 /nfs/dbraw/zinc/76/65/21/526766521.db2.gz HBNZFQKHDOXICY-UHFFFAOYSA-N 0 0 443.447 2.697 50 0 IFAARN O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000022803348 526770875 /nfs/dbraw/zinc/77/08/75/526770875.db2.gz BDOCSBPMVGRQNT-UHFFFAOYSA-N 0 0 440.935 2.556 50 0 IFAARN O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccccc1N1CCOCC1 ZINC000022799215 526774796 /nfs/dbraw/zinc/77/47/96/526774796.db2.gz XZRAXANJFNTNOC-UHFFFAOYSA-N 0 0 434.993 2.994 50 0 IFAARN O=C(CN1CCN(Cc2ccccc2F)S1(=O)=O)Nc1ccc(Br)cc1 ZINC000021634010 526776207 /nfs/dbraw/zinc/77/62/07/526776207.db2.gz UXACLOMQUSUGMZ-UHFFFAOYSA-N 0 0 442.310 2.589 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000035500470 526779610 /nfs/dbraw/zinc/77/96/10/526779610.db2.gz SGPBCIGRHFJEAP-UHFFFAOYSA-N 0 0 449.576 2.899 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccccc1Cl ZINC000012870734 526779797 /nfs/dbraw/zinc/77/97/97/526779797.db2.gz DIVUCVIWEFTJHL-UHFFFAOYSA-N 0 0 433.961 2.774 50 0 IFAARN O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013056317 526781946 /nfs/dbraw/zinc/78/19/46/526781946.db2.gz DLZWXRJFFAEWEK-UHFFFAOYSA-N 0 0 442.585 2.622 50 0 IFAARN O=C(CN1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1)NCc1ccccc1 ZINC000012760370 526785841 /nfs/dbraw/zinc/78/58/41/526785841.db2.gz IFDLRFIWXCVKFE-UHFFFAOYSA-N 0 0 432.553 2.896 50 0 IFAARN O=C(c1cccn2c(=O)c3c(nc12)sc1c3CCCC1)N1CCN(c2ncccn2)CC1 ZINC000020209985 526817082 /nfs/dbraw/zinc/81/70/82/526817082.db2.gz AWWVVYPCEOPEIL-UHFFFAOYSA-N 0 0 446.536 2.540 50 0 IFAARN O=C(c1ccco1)N1CCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)CC1 ZINC000021881961 526830472 /nfs/dbraw/zinc/83/04/72/526830472.db2.gz MPQDNDAOWPWDTG-UHFFFAOYSA-N 0 0 440.525 2.575 50 0 IFAARN O=C(NCc1nnc2ccccn21)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000018124250 526835489 /nfs/dbraw/zinc/83/54/89/526835489.db2.gz FFYCGHSHQDOHAQ-UHFFFAOYSA-N 0 0 442.317 2.660 50 0 IFAARN NC(=O)C1CCN(C(=O)CCCCCNC(=O)N2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000012296893 526855047 /nfs/dbraw/zinc/85/50/47/526855047.db2.gz YDASULHULULUMD-UHFFFAOYSA-N 0 0 439.560 2.520 50 0 IFAARN O=C(CNC(=O)c1cccc(Br)c1)NCc1ccc(Cn2cccn2)cc1 ZINC000016302133 526859120 /nfs/dbraw/zinc/85/91/20/526859120.db2.gz ZAYZAMPGRASRTK-UHFFFAOYSA-N 0 0 427.302 2.740 50 0 IFAARN O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@H]1CCN1CCOCC1 ZINC000020453686 526865583 /nfs/dbraw/zinc/86/55/83/526865583.db2.gz FUUMNESYRUQOKS-SFHVURJKSA-N 0 0 435.931 2.836 50 0 IFAARN O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000017907360 526889179 /nfs/dbraw/zinc/88/91/79/526889179.db2.gz WOFQVNIYYFENMG-UHFFFAOYSA-N 0 0 436.946 2.734 50 0 IFAARN Cc1sc2nc(CN3CCCC3)nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)c2c1C ZINC000022343571 526890744 /nfs/dbraw/zinc/89/07/44/526890744.db2.gz WDNIGASGIQNPFM-KRWDZBQOSA-N 0 0 429.590 2.732 50 0 IFAARN O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012550168 526907768 /nfs/dbraw/zinc/90/77/68/526907768.db2.gz JFNJOVQWOBZHIP-HUUCEWRRSA-N 0 0 442.390 2.632 50 0 IFAARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(SC(F)F)cc1 ZINC000012531532 526908083 /nfs/dbraw/zinc/90/80/83/526908083.db2.gz FVPDUYGFBZBKKM-ZIAGYGMSSA-N 0 0 426.441 2.658 50 0 IFAARN O=C(COC(=O)c1cccnc1N1CCCC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000022358651 526917541 /nfs/dbraw/zinc/91/75/41/526917541.db2.gz RDSNDLBDMPIHML-UHFFFAOYSA-N 0 0 426.517 2.633 50 0 IFAARN NC(=O)NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F ZINC000012136705 526925560 /nfs/dbraw/zinc/92/55/60/526925560.db2.gz DMEPHMVTDXVCHQ-UHFFFAOYSA-N 0 0 442.467 2.559 50 0 IFAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000023134198 526954913 /nfs/dbraw/zinc/95/49/13/526954913.db2.gz QAYABFYZYJKHRR-UHFFFAOYSA-N 0 0 447.326 2.692 50 0 IFAARN O=C(COc1ccc(F)cc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012806724 526961530 /nfs/dbraw/zinc/96/15/30/526961530.db2.gz VIDNMISDCDSGMI-UHFFFAOYSA-N 0 0 428.869 2.518 50 0 IFAARN NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000035351356 526984166 /nfs/dbraw/zinc/98/41/66/526984166.db2.gz ONQQOQNKAFBQKL-OALUTQOASA-N 0 0 434.521 2.931 50 0 IFAARN NC(=O)[C@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000023575721 526997973 /nfs/dbraw/zinc/99/79/73/526997973.db2.gz WALDPVJXLMACPX-CRAIPNDOSA-N 0 0 436.917 2.511 50 0 IFAARN O=C1C[C@@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 ZINC000012360618 527019608 /nfs/dbraw/zinc/01/96/08/527019608.db2.gz OMNIPEYDWPBNAE-MRXNPFEDSA-N 0 0 436.846 2.704 50 0 IFAARN Cn1c(=O)c2c(SCC(=O)Nc3ccc(Cl)cc3)nc(C(C)(C)C)nc2n(C)c1=O ZINC000015280823 527024112 /nfs/dbraw/zinc/02/41/12/527024112.db2.gz WUKSJWREMBATEG-UHFFFAOYSA-N 0 0 447.948 2.709 50 0 IFAARN O=C(CSCc1ccccc1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 ZINC000023134775 527024012 /nfs/dbraw/zinc/02/40/12/527024012.db2.gz GXECKQFOHCYJAP-UHFFFAOYSA-N 0 0 444.511 2.518 50 0 IFAARN Cn1c(=O)c2c(SCC(=O)Nc3cccc(Cl)c3)nc(C(C)(C)C)nc2n(C)c1=O ZINC000012875621 527024255 /nfs/dbraw/zinc/02/42/55/527024255.db2.gz YBQWYHQQTJPONR-UHFFFAOYSA-N 0 0 447.948 2.709 50 0 IFAARN O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccccc1Cl ZINC000020458775 527027656 /nfs/dbraw/zinc/02/76/56/527027656.db2.gz NPBFYMGWDHWZCP-SFHVURJKSA-N 0 0 427.888 2.518 50 0 IFAARN Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)N1CCc2ccccc21 ZINC000013567163 527045675 /nfs/dbraw/zinc/04/56/75/527045675.db2.gz OPVBDVXZIKVBGJ-UHFFFAOYSA-N 0 0 425.489 2.817 50 0 IFAARN NC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000012904071 527059186 /nfs/dbraw/zinc/05/91/86/527059186.db2.gz WKBDTWMDJUOXRD-UHFFFAOYSA-N 0 0 429.542 2.922 50 0 IFAARN O=C1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)N=C1c1ccc(Br)cc1 ZINC000035432643 527059799 /nfs/dbraw/zinc/05/97/99/527059799.db2.gz RYMXZGZXOABCOY-UHFFFAOYSA-N 0 0 448.342 2.549 50 0 IFAARN O=C(CSc1ncn(-c2ccccc2)n1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000021757038 527073409 /nfs/dbraw/zinc/07/34/09/527073409.db2.gz MULRSIQEQUXWFT-UHFFFAOYSA-N 0 0 425.470 2.869 50 0 IFAARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000012855484 527085185 /nfs/dbraw/zinc/08/51/85/527085185.db2.gz RVRPFCIZAQLDHU-RNODOKPDSA-N 0 0 437.279 2.963 50 0 IFAARN O=C(CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)NCCc1ccc(F)cc1 ZINC000022594463 527085981 /nfs/dbraw/zinc/08/59/81/527085981.db2.gz DUZKFKOBFQWFOV-SFHVURJKSA-N 0 0 433.553 2.647 50 0 IFAARN O=C(CSc1nnc(Nc2ccccc2)s1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000012511454 527088265 /nfs/dbraw/zinc/08/82/65/527088265.db2.gz OTBGUMYCRDJLOP-UHFFFAOYSA-N 0 0 431.543 2.562 50 0 IFAARN Cn1c(Sc2ccc(NC(=O)c3cccc(F)c3)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000021147934 527088616 /nfs/dbraw/zinc/08/86/16/527088616.db2.gz IPQQXXBPLLMUJG-UHFFFAOYSA-N 0 0 439.472 2.513 50 0 IFAARN Cn1c2c(nc(-c3cccc(Br)c3)nc2C(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000035508442 527093252 /nfs/dbraw/zinc/09/32/52/527093252.db2.gz XXJVJWIGJDJFAG-UHFFFAOYSA-N 0 0 442.248 2.787 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCCc1cccnc1 ZINC000012192525 527099819 /nfs/dbraw/zinc/09/98/19/527099819.db2.gz AKDVISCDHQLERE-XMMPIXPASA-N 0 0 444.535 2.923 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCCc1ccncc1 ZINC000012308193 527100040 /nfs/dbraw/zinc/10/00/40/527100040.db2.gz MNBTWFAENOPMSM-XMMPIXPASA-N 0 0 428.536 2.798 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1ccc2c(c1)OCO2 ZINC000012744808 527100574 /nfs/dbraw/zinc/10/05/74/527100574.db2.gz MVNASUKPYIHISD-OAQYLSRUSA-N 0 0 431.492 2.575 50 0 IFAARN Cn1c2nc(NCCc3c[nH]c4ccccc34)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000001414841 527123229 /nfs/dbraw/zinc/12/32/29/527123229.db2.gz QONLDTIRHJGVNK-UHFFFAOYSA-N 0 0 428.496 2.618 50 0 IFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1 ZINC000020933090 527137420 /nfs/dbraw/zinc/13/74/20/527137420.db2.gz UCEWHOXOSMOHOC-UHFFFAOYSA-N 0 0 429.404 2.957 50 0 IFAARN Cn1cc(/C=C/C(=O)N2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cn1 ZINC000020775528 527142145 /nfs/dbraw/zinc/14/21/45/527142145.db2.gz HJRCZXCKCCVNRX-JBOJMBJVSA-N 0 0 449.599 2.797 50 0 IFAARN O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 ZINC000012390429 527157018 /nfs/dbraw/zinc/15/70/18/527157018.db2.gz VXSHZUMZTYMHOS-ZDUSSCGKSA-N 0 0 446.305 2.587 50 0 IFAARN O=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000012567835 527157992 /nfs/dbraw/zinc/15/79/92/527157992.db2.gz QVSALOQOBZKRSJ-XNTDXEJSSA-N 0 0 428.489 2.994 50 0 IFAARN Cc1nc2ccccc2c(=O)n1Cc1noc(CN2C(=O)COc3ccc(Cl)cc32)n1 ZINC000035399629 527158723 /nfs/dbraw/zinc/15/87/23/527158723.db2.gz LLUMCCUIVSLSKR-UHFFFAOYSA-N 0 0 437.843 2.715 50 0 IFAARN O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCN(Cc3ccccn3)C(=O)C2=O)CC1 ZINC000015774594 527177716 /nfs/dbraw/zinc/17/77/16/527177716.db2.gz AEHUKXOATXREJO-UHFFFAOYSA-N 0 0 441.919 2.602 50 0 IFAARN O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000018047299 527187396 /nfs/dbraw/zinc/18/73/96/527187396.db2.gz XGUORRHBOCQQIB-UYAOXDASSA-N 0 0 429.517 2.818 50 0 IFAARN O=C(Cc1c[nH]c2ccccc12)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000020737034 527202904 /nfs/dbraw/zinc/20/29/04/527202904.db2.gz VFTPEYFHIYEPED-MRXNPFEDSA-N 0 0 438.915 2.649 50 0 IFAARN O=S(=O)(N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCCCC1 ZINC000022475304 527204903 /nfs/dbraw/zinc/20/49/03/527204903.db2.gz JADNUOCMYRIZKL-UHFFFAOYSA-N 0 0 426.892 2.997 50 0 IFAARN Cc1ncc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)o1 ZINC000021032172 527217847 /nfs/dbraw/zinc/21/78/47/527217847.db2.gz HMIIXNOJYSIUHM-UHFFFAOYSA-N 0 0 441.509 2.885 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000032999792 527229529 /nfs/dbraw/zinc/22/95/29/527229529.db2.gz PKUOHDZNUCGQQU-FQEVSTJZSA-N 0 0 449.960 2.968 50 0 IFAARN O=C(Nc1ccc(Oc2ccccc2)cc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000022376331 527251088 /nfs/dbraw/zinc/25/10/88/527251088.db2.gz YUTMJEAJZSJRLG-INIZCTEOSA-N 0 0 427.482 2.583 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(c2nc3ccccc3s2)CC1 ZINC000012778277 527280970 /nfs/dbraw/zinc/28/09/70/527280970.db2.gz IIQVJUKPCVBWDV-UHFFFAOYSA-N 0 0 431.539 2.969 50 0 IFAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000012853468 527281635 /nfs/dbraw/zinc/28/16/35/527281635.db2.gz XSRUJGVLLVEENA-LLVKDONJSA-N 0 0 430.258 2.772 50 0 IFAARN O=C(Cc1ccccc1)Nc1ccnn1C1CCN(C(=O)CCN2CCCCO2)CC1 ZINC000012297569 527283425 /nfs/dbraw/zinc/28/34/25/527283425.db2.gz KPRFYAIHMRRYOG-UHFFFAOYSA-N 0 0 425.533 2.645 50 0 IFAARN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000016205273 527284960 /nfs/dbraw/zinc/28/49/60/527284960.db2.gz GDIWWTWWQCNCFT-UHFFFAOYSA-N 0 0 437.521 2.870 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1 ZINC000035508065 527285908 /nfs/dbraw/zinc/28/59/08/527285908.db2.gz UTZNUIMGSTWUQY-MRXNPFEDSA-N 0 0 433.468 2.734 50 0 IFAARN O=C(Cc1cccs1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000015386378 527301938 /nfs/dbraw/zinc/30/19/38/527301938.db2.gz GARCIEQWRVOFTG-UHFFFAOYSA-N 0 0 429.361 2.586 50 0 IFAARN NS(=O)(=O)c1ccc(Br)c(C(=O)NCCCn2ccc3ccccc32)c1 ZINC000012608533 527305572 /nfs/dbraw/zinc/30/55/72/527305572.db2.gz MZVFBNBBCFWJCV-UHFFFAOYSA-N 0 0 436.331 2.871 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 ZINC000012440914 527314780 /nfs/dbraw/zinc/31/47/80/527314780.db2.gz OTGGUAOTGJUQJJ-UHFFFAOYSA-N 0 0 446.916 2.630 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000012753997 527320950 /nfs/dbraw/zinc/32/09/50/527320950.db2.gz OQILREOYCWEVLK-NRFANRHFSA-N 0 0 427.551 2.982 50 0 IFAARN O=C(Nc1cccc(Br)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000017155292 527324837 /nfs/dbraw/zinc/32/48/37/527324837.db2.gz IMPFPJOMMTZZKF-UHFFFAOYSA-N 0 0 425.304 2.722 50 0 IFAARN O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012849816 527336255 /nfs/dbraw/zinc/33/62/55/527336255.db2.gz WUZZLGLACSSRCQ-UHFFFAOYSA-N 0 0 448.570 2.847 50 0 IFAARN O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000020533814 527351636 /nfs/dbraw/zinc/35/16/36/527351636.db2.gz NYVAHXKULHTUTI-UHFFFAOYSA-N 0 0 447.491 2.673 50 0 IFAARN Cc1nccn1-c1cc(NCCNS(=O)(=O)c2ccc3cccc4c3c2CC4)nc(C)n1 ZINC000035598095 527368170 /nfs/dbraw/zinc/36/81/70/527368170.db2.gz LQGCNVGOCVSCPF-UHFFFAOYSA-N 0 0 448.552 2.921 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)NCc1ccccc1Cl ZINC000035506032 527391787 /nfs/dbraw/zinc/39/17/87/527391787.db2.gz JLAYEEGSPIZOKO-UHFFFAOYSA-N 0 0 436.855 2.862 50 0 IFAARN O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)N[C@@H]1CCCc2ccccc21 ZINC000015767920 527396853 /nfs/dbraw/zinc/39/68/53/527396853.db2.gz CZPKURWWDQTULE-HXUWFJFHSA-N 0 0 436.537 2.828 50 0 IFAARN O=C(Cn1cnc2ccccc2c1=O)OCc1cc2c(cc1Br)OCCO2 ZINC000024465734 527403922 /nfs/dbraw/zinc/40/39/22/527403922.db2.gz WIBCAXPGRLWPMZ-UHFFFAOYSA-N 0 0 431.242 2.674 50 0 IFAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCN(c2ccccn2)CC1 ZINC000012896522 527406691 /nfs/dbraw/zinc/40/66/91/527406691.db2.gz DJJUZRUHBYLBSI-UHFFFAOYSA-N 0 0 437.550 2.930 50 0 IFAARN O=C(Cn1nc(C(=O)Nc2ccccc2)ccc1=O)Nc1cccc(Br)c1 ZINC000041265930 527415898 /nfs/dbraw/zinc/41/58/98/527415898.db2.gz JYMVJQBKEORGTR-UHFFFAOYSA-N 0 0 427.258 2.897 50 0 IFAARN O=C(Nc1ccccc1Cl)N1CCC(N2CCN(Cc3ccccn3)C(=O)C2=O)CC1 ZINC000015774837 527416151 /nfs/dbraw/zinc/41/61/51/527416151.db2.gz NYRYCJORGHKMBQ-UHFFFAOYSA-N 0 0 441.919 2.602 50 0 IFAARN O=C(Cn1nc2c(c1NC(=O)c1c[nH]c3ccccc13)CSC2)NC[C@H]1CCCO1 ZINC000035596857 527418415 /nfs/dbraw/zinc/41/84/15/527418415.db2.gz UNNBXQILYCSJNA-CYBMUJFWSA-N 0 0 425.514 2.659 50 0 IFAARN O=c1[nH]c(=O)n(CCc2ccccc2)c([O-])c1[C@@H]1[NH2+]CCc2c3cc(Cl)ccc3[nH]c21 ZINC000020624038 527441073 /nfs/dbraw/zinc/44/10/73/527441073.db2.gz YAWOFRHAIHCBMU-FQEVSTJZSA-N 0 0 436.899 2.855 50 0 IFAARN O=C(N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000023134728 527441176 /nfs/dbraw/zinc/44/11/76/527441176.db2.gz ONTPRHUBGDXBRK-UHFFFAOYSA-N 0 0 442.514 2.801 50 0 IFAARN O=c1[nH]c2cc3c(cc2c(=O)n1CCCc1nc(-c2ccccc2Cl)no1)OCO3 ZINC000021874029 527443111 /nfs/dbraw/zinc/44/31/11/527443111.db2.gz GPUYCRBPOQWKSX-UHFFFAOYSA-N 0 0 426.816 2.755 50 0 IFAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)NCCCOCC2CC2)cc1 ZINC000012738376 527451108 /nfs/dbraw/zinc/45/11/08/527451108.db2.gz VFAJQMVIFIMWPM-UHFFFAOYSA-N 0 0 432.329 2.634 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccccc1Br)c1ccc(F)cc1 ZINC000012575499 527451341 /nfs/dbraw/zinc/45/13/41/527451341.db2.gz PXMFWMKOVPBTIN-SFHVURJKSA-N 0 0 445.292 2.957 50 0 IFAARN Cc1nccn1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)n3ccnc3C)cc2)cc1 ZINC000041096881 527451759 /nfs/dbraw/zinc/45/17/59/527451759.db2.gz KODAKWQZLLVPSH-UHFFFAOYSA-N 0 0 442.522 2.837 50 0 IFAARN O=c1cc2nc(-c3ccccc3F)nc(SCc3cc(=O)n4ccsc4n3)n2[nH]1 ZINC000021537222 527483277 /nfs/dbraw/zinc/48/32/77/527483277.db2.gz PZTQHBVITVENHC-UHFFFAOYSA-N 0 0 426.458 2.585 50 0 IFAARN Cc1ncsc1CCCNC(=O)CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 ZINC000014879087 527485547 /nfs/dbraw/zinc/48/55/47/527485547.db2.gz XYZSWNBRCSOAPK-JOCHJYFZSA-N 0 0 429.542 2.901 50 0 IFAARN Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(C(=O)COc1ccc(Cl)cc1)C2 ZINC000035405916 527546474 /nfs/dbraw/zinc/54/64/74/527546474.db2.gz PHQXXPFGVITANL-UHFFFAOYSA-N 0 0 438.915 2.967 50 0 IFAARN Cn1ncc2c1ncn(CCC(=O)N1CCc3sccc3[C@@H]1c1cccs1)c2=O ZINC000012872127 527585697 /nfs/dbraw/zinc/58/56/97/527585697.db2.gz CIDJRKXOKFFTKR-GOSISDBHSA-N 0 0 425.539 2.817 50 0 IFAARN O=C(/C=C/c1ccc(Br)o1)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000022598723 527605644 /nfs/dbraw/zinc/60/56/44/527605644.db2.gz QHRBONJUPQXFSP-VQHVLOKHSA-N 0 0 432.318 2.516 50 0 IFAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000012891320 527630806 /nfs/dbraw/zinc/63/08/06/527630806.db2.gz ZHNJUMDDCLWGMY-VAWYXSNFSA-N 0 0 431.536 2.923 50 0 IFAARN O=C(/C=C\c1ccc(F)cc1)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000033415148 527655321 /nfs/dbraw/zinc/65/53/21/527655321.db2.gz SCXUCYQEHLHTSN-FLIBITNWSA-N 0 0 432.473 2.805 50 0 IFAARN O=C(NCCCN(Cc1ccccc1)C(=O)c1ccncc1)c1nc2ccccc2c(=O)[nH]1 ZINC000022472004 527657741 /nfs/dbraw/zinc/65/77/41/527657741.db2.gz WRXOCKUVZGEOQA-UHFFFAOYSA-N 0 0 441.491 2.781 50 0 IFAARN Cc1nn(C)cc1CN1CCN(C(=O)c2cc3c(s2)n(C)nc3C(F)(F)F)CC1 ZINC000020607242 527692544 /nfs/dbraw/zinc/69/25/44/527692544.db2.gz VRANMZQQXLEUNJ-UHFFFAOYSA-N 0 0 426.468 2.654 50 0 IFAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)CN2CCCc3ccccc32)c(=O)[nH]c1=O ZINC000013095331 535136619 /nfs/dbraw/zinc/13/66/19/535136619.db2.gz SLIFFAYPZMCHTQ-UHFFFAOYSA-N 0 0 441.576 2.751 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3OC)CC2)ccc1C ZINC000003480211 535628878 /nfs/dbraw/zinc/62/88/78/535628878.db2.gz KBRCIJLQBXKCHH-UHFFFAOYSA-N 0 0 445.585 2.997 50 0 IFAARN CCOC(=O)c1cc(NC(=S)NC(=O)c2cccc(OC)c2)ccc1N1CCOCC1 ZINC000009971582 535679853 /nfs/dbraw/zinc/67/98/53/535679853.db2.gz UEEZNXOPTQLFJY-UHFFFAOYSA-N 0 0 443.525 2.835 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OCC ZINC000005687970 535706068 /nfs/dbraw/zinc/70/60/68/535706068.db2.gz JAOBKTJRPLQIQU-UHFFFAOYSA-N 0 0 427.501 2.689 50 0 IFAARN CCc1nn(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(=O)c2cc3occc3n21 ZINC000008611053 535837250 /nfs/dbraw/zinc/83/72/50/535837250.db2.gz FUSYDCLJQXRXGG-UHFFFAOYSA-N 0 0 439.903 2.807 50 0 IFAARN COc1ccc(Cc2nnc(C(=O)N3CCN(c4ccccc4OC)CC3)o2)cc1OC ZINC000009406984 536535468 /nfs/dbraw/zinc/53/54/68/536535468.db2.gz GKEMLOCQUZULFK-UHFFFAOYSA-N 0 0 438.484 2.649 50 0 IFAARN COc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1OC ZINC000002647393 536661749 /nfs/dbraw/zinc/66/17/49/536661749.db2.gz VNYKHALUBMTFPA-SFHVURJKSA-N 0 0 429.904 2.811 50 0 IFAARN COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1 ZINC000009111618 536674521 /nfs/dbraw/zinc/67/45/21/536674521.db2.gz PXOJRMWENHOWNJ-UHFFFAOYSA-N 0 0 431.496 2.804 50 0 IFAARN COc1cc(C2=NO[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1OC ZINC000004056922 536721458 /nfs/dbraw/zinc/72/14/58/536721458.db2.gz QKXAMLBOJCXPTF-NRFANRHFSA-N 0 0 443.475 2.693 50 0 IFAARN COc1cc(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc(OC)c1OC ZINC000011077284 536726300 /nfs/dbraw/zinc/72/63/00/536726300.db2.gz PDFWVKIEIYACTC-UHFFFAOYSA-N 0 0 428.533 2.826 50 0 IFAARN COc1ccc(C)cc1CCNC(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009513183 536800571 /nfs/dbraw/zinc/80/05/71/536800571.db2.gz NATAAIXYRFOMRQ-UHFFFAOYSA-N 0 0 440.544 2.663 50 0 IFAARN COc1cc(NC(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc(OC)c1OC ZINC000011613231 536842684 /nfs/dbraw/zinc/84/26/84/536842684.db2.gz PJVHSZOHEUPDRD-UHFFFAOYSA-N 0 0 445.520 2.952 50 0 IFAARN COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000002616428 536978270 /nfs/dbraw/zinc/97/82/70/536978270.db2.gz NRFJKOFRLMYRSB-UHFFFAOYSA-N 0 0 425.514 2.843 50 0 IFAARN COc1ccccc1N1CCCn2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C ZINC000006444375 537062794 /nfs/dbraw/zinc/06/27/94/537062794.db2.gz HTCYBZKMBYCCBY-UHFFFAOYSA-N 0 0 435.459 2.635 50 0 IFAARN COc1ccccc1N1CCCn2c1nc1c2c(=O)n(CCc2ccccc2)c(=O)n1C ZINC000008973031 537063132 /nfs/dbraw/zinc/06/31/32/537063132.db2.gz HHRLARMZCXCWFW-UHFFFAOYSA-N 0 0 431.496 2.690 50 0 IFAARN COc1ccccc1N1CCN(C(=O)COC(=O)c2ccccc2Br)CC1 ZINC000010557143 537064520 /nfs/dbraw/zinc/06/45/20/537064520.db2.gz CHJDTRRBCWJDHE-UHFFFAOYSA-N 0 0 433.302 2.963 50 0 IFAARN COc1ccccc1N1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 ZINC000011613623 537065729 /nfs/dbraw/zinc/06/57/29/537065729.db2.gz TWLFRCSCVHFLEJ-MRXNPFEDSA-N 0 0 440.569 2.516 50 0 IFAARN COc1cccc(-n2nnc3c2ncnc3N2CCN(C(=O)CC3CCCCC3)CC2)c1 ZINC000009850622 537072583 /nfs/dbraw/zinc/07/25/83/537072583.db2.gz NUNNGVUSXQXVGL-UHFFFAOYSA-N 0 0 435.532 2.838 50 0 IFAARN COc1ccccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000009518784 537076406 /nfs/dbraw/zinc/07/64/06/537076406.db2.gz FLXKLBQAJWZIQB-HNNXBMFYSA-N 0 0 449.486 2.881 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1c1cccs1 ZINC000000631416 555514928 /nfs/dbraw/zinc/51/49/28/555514928.db2.gz APNHBUKSBRIQBQ-MUMAZLPKSA-N 0 0 428.510 2.999 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000000631403 555514937 /nfs/dbraw/zinc/51/49/37/555514937.db2.gz JSBZIBSZMZQZKI-LYPXWFNGSA-N 0 0 440.546 2.868 50 0 IFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(F)c3)C2)cc1 ZINC000000645100 555520099 /nfs/dbraw/zinc/52/00/99/555520099.db2.gz NHXFLZFZPNHKPP-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccccc3F)C2)cc1 ZINC000000645108 555520130 /nfs/dbraw/zinc/52/01/30/555520130.db2.gz GJQVPMNSUYCZAY-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccccc1 ZINC000000653880 555524114 /nfs/dbraw/zinc/52/41/14/555524114.db2.gz SZYMFEIEAJIWLW-DPWKNNTCSA-N 0 0 440.908 2.767 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000000670205 555530437 /nfs/dbraw/zinc/53/04/37/555530437.db2.gz GRIHDZUHYGYWRY-UHFFFAOYSA-N 0 0 428.894 2.771 50 0 IFAARN COc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000000675719 555534279 /nfs/dbraw/zinc/53/42/79/555534279.db2.gz IZRCMSBVRAMQGB-UHFFFAOYSA-N 0 0 433.555 2.535 50 0 IFAARN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)NC1CCCCC1 ZINC000000686699 555540093 /nfs/dbraw/zinc/54/00/93/555540093.db2.gz JVEKCFRVURUFBQ-UHFFFAOYSA-N 0 0 445.589 2.707 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000000687957 555541054 /nfs/dbraw/zinc/54/10/54/555541054.db2.gz SUIMLJWQUUJXNR-VHUCWBOISA-N 0 0 443.550 2.519 50 0 IFAARN Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000000703931 555544272 /nfs/dbraw/zinc/54/42/72/555544272.db2.gz LIDVJQUZMYHFIT-UHFFFAOYSA-N 0 0 440.525 2.521 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000000724078 555550822 /nfs/dbraw/zinc/55/08/22/555550822.db2.gz WAAMUJQNJOUNNF-CFINBHSISA-N 0 0 428.897 2.963 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000000783939 555555834 /nfs/dbraw/zinc/55/58/34/555555834.db2.gz DBHPIQRZOAIQJT-UHFFFAOYSA-N 0 0 446.525 2.911 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000000789521 555556743 /nfs/dbraw/zinc/55/67/43/555556743.db2.gz WYWCFRRNULPDTC-UHFFFAOYSA-N 0 0 446.569 2.772 50 0 IFAARN CCOc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccncc2)cc1 ZINC000000796341 555557996 /nfs/dbraw/zinc/55/79/96/555557996.db2.gz LTCUXEUJWMXZPW-UHFFFAOYSA-N 0 0 425.514 2.679 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2cccc(C(=O)N3CCC(C(=O)OCC)CC3)c2)CC1 ZINC000000805385 555559898 /nfs/dbraw/zinc/55/98/98/555559898.db2.gz JJVRAGNKHSZMNW-UHFFFAOYSA-N 0 0 444.528 2.517 50 0 IFAARN O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000000818379 555563134 /nfs/dbraw/zinc/56/31/34/555563134.db2.gz DOOUQJWJCXODNY-INIZCTEOSA-N 0 0 437.404 2.866 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000000821094 555563916 /nfs/dbraw/zinc/56/39/16/555563916.db2.gz SAULBOUGKOEMDN-UHFFFAOYSA-N 0 0 441.303 2.640 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000000827699 555565679 /nfs/dbraw/zinc/56/56/79/555565679.db2.gz WYCQTNDTJQMPIZ-UHFFFAOYSA-N 0 0 441.303 2.640 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000000857910 555571653 /nfs/dbraw/zinc/57/16/53/555571653.db2.gz DSAFOHZDMKEEKJ-UHFFFAOYSA-N 0 0 441.303 2.640 50 0 IFAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)N(Cc2ccc3c(c2)OCO3)C1=S ZINC000000868474 555574714 /nfs/dbraw/zinc/57/47/14/555574714.db2.gz LWCXHMDYZMMVSV-KRWDZBQOSA-N 0 0 441.509 2.770 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000000899533 555580867 /nfs/dbraw/zinc/58/08/67/555580867.db2.gz ZNSSCRVIISCJDW-UHFFFAOYSA-N 0 0 430.551 2.843 50 0 IFAARN Cc1cc(C)n2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)nc2n1 ZINC000009665513 555585604 /nfs/dbraw/zinc/58/56/04/555585604.db2.gz MFJYDMDZQMGLMR-ZIAGYGMSSA-N 0 0 442.545 2.660 50 0 IFAARN CCOC(=O)c1[nH]c(COC(=O)/C(=C/c2ccccc2)NC(C)=O)c(C(=O)OCC)c1C ZINC000009670849 555586178 /nfs/dbraw/zinc/58/61/78/555586178.db2.gz SNAVITNXCIOVFJ-ATVHPVEESA-N 0 0 442.468 2.897 50 0 IFAARN COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000000980299 555593072 /nfs/dbraw/zinc/59/30/72/555593072.db2.gz FVOIDXXRCJFCPB-UHFFFAOYSA-N 0 0 440.905 2.848 50 0 IFAARN Cc1ccccc1-n1c2nnc(SCC(N)=O)n2c2sc3c(c2c1=O)CCCC3 ZINC000000986176 555594784 /nfs/dbraw/zinc/59/47/84/555594784.db2.gz JBQMYJMBBVCVJJ-UHFFFAOYSA-N 0 0 425.539 2.860 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3ccccc3Cl)C(=O)[C@]2(c2ccc(Cl)cc2)NN1 ZINC000001013495 555602280 /nfs/dbraw/zinc/60/22/80/555602280.db2.gz CMKCUMNBOZASHU-MGPUTAFESA-N 0 0 432.263 2.901 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccc(NC(C)=O)c2)n1C ZINC000001019427 555603075 /nfs/dbraw/zinc/60/30/75/555603075.db2.gz YZLXCOKVVZMXKM-UHFFFAOYSA-N 0 0 439.497 2.958 50 0 IFAARN O=c1c(F)cn(C[C@H]2CC(c3ccccc3)=NO2)c(=O)n1C[C@H]1CC(c2ccccc2)=NO1 ZINC000001034547 555607411 /nfs/dbraw/zinc/60/74/11/555607411.db2.gz KLNWIUUMHFHJPC-RTBURBONSA-N 0 0 448.454 2.536 50 0 IFAARN O=C1CC2(CCCC2)C(=O)N1c1ccc(S(=O)(=O)N2CCSCC2)cc1Cl ZINC000001048417 555611795 /nfs/dbraw/zinc/61/17/95/555611795.db2.gz SZHMPTOEEQFBOV-UHFFFAOYSA-N 0 0 428.963 2.901 50 0 IFAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009712405 555617560 /nfs/dbraw/zinc/61/75/60/555617560.db2.gz ILWWMSZJAGQGIV-QGZVFWFLSA-N 0 0 439.468 2.714 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(I)cc1 ZINC000001072733 555621902 /nfs/dbraw/zinc/62/19/02/555621902.db2.gz CUVLCYRNUQMLMS-SNVBAGLBSA-N 0 0 448.257 2.736 50 0 IFAARN Cc1ccc(C(=O)Nc2c(C(=O)N3CCC(C(N)=O)CC3)cnn2-c2ccccc2)cc1 ZINC000001081004 555625918 /nfs/dbraw/zinc/62/59/18/555625918.db2.gz BGFAZHZAXOUFQG-UHFFFAOYSA-N 0 0 431.496 2.771 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)CC)cc2)cc1 ZINC000001108571 555630258 /nfs/dbraw/zinc/63/02/58/555630258.db2.gz VJQGOBNEODUFJO-OAHLLOKOSA-N 0 0 434.514 2.958 50 0 IFAARN CCOC(=O)c1cc(CC)sc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000001114597 555633506 /nfs/dbraw/zinc/63/35/06/555633506.db2.gz ZPUZOWGZNSKJSB-UHFFFAOYSA-N 0 0 436.511 2.661 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)NCCN1C(=S)Nc1ccccc1 ZINC000001119300 555636414 /nfs/dbraw/zinc/63/64/14/555636414.db2.gz ICIVUDRFDPRSCL-MRXNPFEDSA-N 0 0 432.933 2.875 50 0 IFAARN O=c1/c(=C/c2ccc(I)cc2)sc2nc(-c3ccccc3)nn12 ZINC000001130401 555643943 /nfs/dbraw/zinc/64/39/43/555643943.db2.gz WVVCYWDLGMYILW-UVTDQMKNSA-N 0 0 431.258 2.970 50 0 IFAARN CC(=O)Nc1c(O)nc(SCC(=O)N[C@@H](C)c2ccccc2)n(-c2ccccc2)c1=O ZINC000001132524 555645436 /nfs/dbraw/zinc/64/54/36/555645436.db2.gz LQPGEYMRUUSWSS-AWEZNQCLSA-N 0 0 438.509 2.866 50 0 IFAARN CCOC(=O)CN1c2ccccc2[C@](O)(CC(=O)c2ccc(Br)cc2)C1=O ZINC000001143191 555651233 /nfs/dbraw/zinc/65/12/33/555651233.db2.gz CLTWIQGJEUTDQU-HXUWFJFHSA-N 0 0 432.270 2.819 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)cc1 ZINC000001146353 555653766 /nfs/dbraw/zinc/65/37/66/555653766.db2.gz JGTIPAOUQYFAOS-UHFFFAOYSA-N 0 0 435.933 2.981 50 0 IFAARN O=C(N[C@@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000001170463 555666181 /nfs/dbraw/zinc/66/61/81/555666181.db2.gz WAMYHPVYOFPIMH-LBPRGKRZSA-N 0 0 431.172 2.973 50 0 IFAARN CCNC(=O)C[C@@H]1C(=O)N(Cc2ccccc2)C(=S)N1NC(=O)c1ccc(Cl)cc1 ZINC000001185733 555673943 /nfs/dbraw/zinc/67/39/43/555673943.db2.gz WPZMGBQHLYNYTR-QGZVFWFLSA-N 0 0 444.944 2.509 50 0 IFAARN CCOc1ccccc1-n1c(S[C@@H](C)C(=O)NC(=O)NC)nc2ccccc2c1=O ZINC000009966595 555690964 /nfs/dbraw/zinc/69/09/64/555690964.db2.gz SBJSRKXVIMXFQK-ZDUSSCGKSA-N 0 0 426.498 2.721 50 0 IFAARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000010022431 555691203 /nfs/dbraw/zinc/69/12/03/555691203.db2.gz GPQLMNGRWWAMDL-CMDGGOBGSA-N 0 0 440.880 2.860 50 0 IFAARN Cc1cccc2nc(CN3C(=O)N[C@@](C)(c4ccc(OC(F)F)cc4)C3=O)cc(=O)n12 ZINC000010537428 555694055 /nfs/dbraw/zinc/69/40/55/555694055.db2.gz SGODOWWVJZAOBG-NRFANRHFSA-N 0 0 428.395 2.572 50 0 IFAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)N(Cc2ccccc2)C1=S ZINC000001421199 555695317 /nfs/dbraw/zinc/69/53/17/555695317.db2.gz CZFPONVBPBSHBI-GOSISDBHSA-N 0 0 425.510 2.820 50 0 IFAARN Cc1nnc(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)n1N ZINC000001906741 555723791 /nfs/dbraw/zinc/72/37/91/555723791.db2.gz VJZYCQYMZRYLME-UHFFFAOYSA-N 0 0 439.364 2.841 50 0 IFAARN CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002074770 555735647 /nfs/dbraw/zinc/73/56/47/555735647.db2.gz GKCGIIOGLCMILN-OAHLLOKOSA-N 0 0 443.294 2.713 50 0 IFAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 ZINC000002441196 555779364 /nfs/dbraw/zinc/77/93/64/555779364.db2.gz YMSGFSXUSVUAET-UHFFFAOYSA-N 0 0 431.481 2.554 50 0 IFAARN CCCCNS(=O)(=O)c1cc(S(=O)(=O)NCCCC)c2cccc3c2c1NC3=O ZINC000002476470 555783479 /nfs/dbraw/zinc/78/34/79/555783479.db2.gz MTKIMUSRLQRERS-UHFFFAOYSA-N 0 0 439.559 2.562 50 0 IFAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1)NCCN1CCOCC1 ZINC000034675450 555794067 /nfs/dbraw/zinc/79/40/67/555794067.db2.gz UBEADNFFKSUHAR-UHFFFAOYSA-N 0 0 439.531 2.760 50 0 IFAARN CCNC(=O)N1CCc2nc(N3CCN(c4ccc(C)cc4)CC3)nc(N(C)CC)c2C1 ZINC000034676811 555794578 /nfs/dbraw/zinc/79/45/78/555794578.db2.gz FTYWUUQAHHNAOL-UHFFFAOYSA-N 0 0 437.592 2.655 50 0 IFAARN CN1CCN(c2nc(N3CCCC3)nc3c2CN(C(=O)c2ccc(Cl)cc2)CC3)CC1 ZINC000034676929 555795023 /nfs/dbraw/zinc/79/50/23/555795023.db2.gz DKZFSTSPNCNQDL-UHFFFAOYSA-N 0 0 440.979 2.681 50 0 IFAARN CCCN(CCC)C(=O)c1coc(CN2CCN(C[C@H](O)Cc3ccccc3)CC2)n1 ZINC000034677638 555796068 /nfs/dbraw/zinc/79/60/68/555796068.db2.gz WHAMNMVDSNUIEU-OAQYLSRUSA-N 0 0 428.577 2.658 50 0 IFAARN COc1ccccc1CCNC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000034678339 555797052 /nfs/dbraw/zinc/79/70/52/555797052.db2.gz IZFHHZLYJASAJO-UHFFFAOYSA-N 0 0 434.540 2.974 50 0 IFAARN O=C(Cc1cccc(N(Cc2ccc(F)cc2)C(=O)C2CC2)c1)NCCN1CCOCC1 ZINC000034685513 555821037 /nfs/dbraw/zinc/82/10/37/555821037.db2.gz CDCKVRDGLTYFJR-UHFFFAOYSA-N 0 0 439.531 2.760 50 0 IFAARN COCc1nnc2c3ccccc3nc(N3CCN(C(=O)c4ccccc4F)[C@@H](C)C3)n12 ZINC000034706771 555821882 /nfs/dbraw/zinc/82/18/82/555821882.db2.gz JZLQIVZSRZJTIH-HNNXBMFYSA-N 0 0 434.475 2.914 50 0 IFAARN COCCNC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000034708936 555823502 /nfs/dbraw/zinc/82/35/02/555823502.db2.gz ZRRGMAXWFPTGAY-WOJBJXKFSA-N 0 0 426.513 2.712 50 0 IFAARN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)NCCc1ccccc1 ZINC000002840914 555835248 /nfs/dbraw/zinc/83/52/48/555835248.db2.gz BWHARRQQLFJLNP-UHFFFAOYSA-N 0 0 437.569 2.987 50 0 IFAARN CN(c1ccccc1C(=O)Nc1ccc(I)cc1)S(C)(=O)=O ZINC000002843749 555836702 /nfs/dbraw/zinc/83/67/02/555836702.db2.gz VBONCPYYMCYORK-UHFFFAOYSA-N 0 0 430.267 2.939 50 0 IFAARN COc1ccc(CCNC(=S)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1OC ZINC000002851171 555839564 /nfs/dbraw/zinc/83/95/64/555839564.db2.gz NVUKOGHAGBATKW-UHFFFAOYSA-N 0 0 429.542 2.705 50 0 IFAARN COc1ccc(CCNC(=S)NNC(=S)Nc2ccc(F)cc2F)cc1OC ZINC000002852476 555839847 /nfs/dbraw/zinc/83/98/47/555839847.db2.gz PWDYCMRVLSGRAZ-UHFFFAOYSA-N 0 0 426.514 2.890 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)c1 ZINC000002859481 555843559 /nfs/dbraw/zinc/84/35/59/555843559.db2.gz GMLLAKCLVRQOJN-HNNXBMFYSA-N 0 0 439.541 2.974 50 0 IFAARN COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 ZINC000002859578 555843896 /nfs/dbraw/zinc/84/38/96/555843896.db2.gz BHQJECPONJBACA-UHFFFAOYSA-N 0 0 446.525 2.830 50 0 IFAARN Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1Cl ZINC000002865521 555847054 /nfs/dbraw/zinc/84/70/54/555847054.db2.gz ZAMFUQNEXBQNLA-UHFFFAOYSA-N 0 0 437.934 2.514 50 0 IFAARN CCN(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002875272 555851837 /nfs/dbraw/zinc/85/18/37/555851837.db2.gz SGNPMHSBQUGRLR-UHFFFAOYSA-N 0 0 440.949 2.727 50 0 IFAARN CC[C@@H](Sc1nnc(N)s1)C(=O)N[C@H](CSCc1ccccc1)C(=O)OC ZINC000002876788 555852560 /nfs/dbraw/zinc/85/25/60/555852560.db2.gz LJAWLFODFCTBQI-CHWSQXEVSA-N 0 0 426.589 2.582 50 0 IFAARN CC[C@H](Sc1nnc(N)s1)C(=O)N[C@H](CSCc1ccccc1)C(=O)OC ZINC000002876787 555852565 /nfs/dbraw/zinc/85/25/65/555852565.db2.gz LJAWLFODFCTBQI-OLZOCXBDSA-N 0 0 426.589 2.582 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 ZINC000002881779 555855910 /nfs/dbraw/zinc/85/59/10/555855910.db2.gz QZAJUPNSHJMIKD-KRWDZBQOSA-N 0 0 446.525 2.830 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 ZINC000002889365 555859292 /nfs/dbraw/zinc/85/92/92/555859292.db2.gz IILPJMUXIPZKBE-UHFFFAOYSA-N 0 0 435.571 2.650 50 0 IFAARN COCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002910890 555861899 /nfs/dbraw/zinc/86/18/99/555861899.db2.gz LVBGSUYTNXKFCJ-UHFFFAOYSA-N 0 0 431.341 2.947 50 0 IFAARN CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000002961992 555867950 /nfs/dbraw/zinc/86/79/50/555867950.db2.gz MVJZAMMYJFNBNC-OAHLLOKOSA-N 0 0 433.530 2.764 50 0 IFAARN O=C(N[C@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000003053159 555882963 /nfs/dbraw/zinc/88/29/63/555882963.db2.gz KUTAKUIUVFMMHK-GFCCVEGCSA-N 0 0 431.172 2.973 50 0 IFAARN O=C(N[C@@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000003053160 555882995 /nfs/dbraw/zinc/88/29/95/555882995.db2.gz KUTAKUIUVFMMHK-LBPRGKRZSA-N 0 0 431.172 2.973 50 0 IFAARN O=C1CSc2nnc(COc3ccc4c(c3)OCO4)n2N1Cc1cccc(F)c1F ZINC000034810057 555908478 /nfs/dbraw/zinc/90/84/78/555908478.db2.gz XOXKUQQJNYOCPS-UHFFFAOYSA-N 0 0 432.408 2.635 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2cc3n(n2)CCN(Cc2ccc(Cl)cc2)C3=O)CC1 ZINC000034810881 555908763 /nfs/dbraw/zinc/90/87/63/555908763.db2.gz JPUYOILPNDBQPM-UHFFFAOYSA-N 0 0 444.919 2.608 50 0 IFAARN CN1C2=C(C(=O)N(CC(=O)N3CCCCC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000034792109 555916635 /nfs/dbraw/zinc/91/66/35/555916635.db2.gz HGFXUMNXPURRTH-SFHVURJKSA-N 0 0 436.434 2.510 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3noc(-c4cccc(Cl)c4)n3)CC2)cc1 ZINC000034904979 555919294 /nfs/dbraw/zinc/91/92/94/555919294.db2.gz SQQVYVOVHLFOBC-UHFFFAOYSA-N 0 0 448.932 2.905 50 0 IFAARN COc1ccccc1OCc1nc(C(=O)NCCNC(=O)Cc2cccs2)cs1 ZINC000034905663 555920027 /nfs/dbraw/zinc/92/00/27/555920027.db2.gz PZWAWUMSOYFLNO-UHFFFAOYSA-N 0 0 431.539 2.881 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000034857779 555924938 /nfs/dbraw/zinc/92/49/38/555924938.db2.gz SZQPBJPYZSIVNV-PGRDOPGGSA-N 0 0 429.586 2.841 50 0 IFAARN CCN(C(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccccc1 ZINC000034867976 555925719 /nfs/dbraw/zinc/92/57/19/555925719.db2.gz HLXVCLGTBGSJTO-QGZVFWFLSA-N 0 0 448.614 2.551 50 0 IFAARN CCOC(=O)C1=C(CN(CC)C[C@H]2COc3ccccc3O2)NC(=O)N[C@H]1c1ccco1 ZINC000034872117 555926055 /nfs/dbraw/zinc/92/60/55/555926055.db2.gz YSWNZHQCVSQGQW-BTYIYWSLSA-N 0 0 441.484 2.613 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCC(C(=O)NCCNC(=O)c2ccccc2)CC1 ZINC000034899882 555928946 /nfs/dbraw/zinc/92/89/46/555928946.db2.gz PBLVWMKMTRWUFC-UHFFFAOYSA-N 0 0 443.931 2.504 50 0 IFAARN COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(Br)cc4)C(O)=C23)cc1 ZINC000003848818 555948571 /nfs/dbraw/zinc/94/85/71/555948571.db2.gz LPWCGQSHIPNJPH-PBHICJAKSA-N 0 0 429.226 2.585 50 0 IFAARN O=C(Nc1ccccc1)c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000004058328 555955929 /nfs/dbraw/zinc/95/59/29/555955929.db2.gz HGTFQSKSNLDZPB-LJQANCHMSA-N 0 0 445.541 2.551 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2ccccc2)cc1 ZINC000004090457 555961380 /nfs/dbraw/zinc/96/13/80/555961380.db2.gz PILIGMUKPWEDNX-UHFFFAOYSA-N 0 0 425.510 2.598 50 0 IFAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc(Br)c1O ZINC000004156463 555968990 /nfs/dbraw/zinc/96/89/90/555968990.db2.gz IPMQQBDJBJNGQA-ZDUSSCGKSA-N 0 0 431.308 2.697 50 0 IFAARN COc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1OC ZINC000004176704 555973435 /nfs/dbraw/zinc/97/34/35/555973435.db2.gz KPOZQXKCVAHTFO-IBGZPJMESA-N 0 0 437.525 2.983 50 0 IFAARN CC(=O)N[C@H](NC(=S)Nc1sc2c(c1C(N)=O)CCCC2)C(Cl)(Cl)Cl ZINC000004177621 555973696 /nfs/dbraw/zinc/97/36/96/555973696.db2.gz WUKZAOKSQYTOLH-GFCCVEGCSA-N 0 0 443.809 2.845 50 0 IFAARN CCOC(=O)N1CCN(C(=O)C2CCN(c3nc4ccc(OC)cc4s3)CC2)CC1 ZINC000004757414 556009840 /nfs/dbraw/zinc/00/98/40/556009840.db2.gz ZPUXDHKUTRPLOL-UHFFFAOYSA-N 0 0 432.546 2.822 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NCCCOC(C)C)CC3)CC2=O)cc1 ZINC000004998912 556026392 /nfs/dbraw/zinc/02/63/92/556026392.db2.gz RUOWNZCBOWFNKT-FQEVSTJZSA-N 0 0 429.561 2.518 50 0 IFAARN CC1(C)CC(NC(=O)CCC(=O)NC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O ZINC000005644947 556061690 /nfs/dbraw/zinc/06/16/90/556061690.db2.gz UAFCWSBLUCTHOU-UHFFFAOYSA-N 0 0 426.602 2.821 50 0 IFAARN O=C(NC1CCCCC1)[C@H]1C(=O)C(=O)N(C2CCCCC2)[C@H]1C(=O)NC1CCCCC1 ZINC000005725540 556064205 /nfs/dbraw/zinc/06/42/05/556064205.db2.gz GVHDWWRDXRZYHT-WOJBJXKFSA-N 0 0 431.577 2.613 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)c1 ZINC000006123191 556076578 /nfs/dbraw/zinc/07/65/78/556076578.db2.gz TYZBLDFGKKMVPJ-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000006631991 556099585 /nfs/dbraw/zinc/09/95/85/556099585.db2.gz DNMISKGVNCVSCQ-CZAAIQMYSA-N 0 0 442.512 2.934 50 0 IFAARN COCCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000006904877 556109240 /nfs/dbraw/zinc/10/92/40/556109240.db2.gz NVWCNMNUCGMYON-IBGZPJMESA-N 0 0 427.457 2.516 50 0 IFAARN NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000002627581 556115475 /nfs/dbraw/zinc/11/54/75/556115475.db2.gz GIZKDIRMEBANHM-UHFFFAOYSA-N 0 0 441.534 2.846 50 0 IFAARN Cc1ccsc1CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000002693562 556120886 /nfs/dbraw/zinc/12/08/86/556120886.db2.gz FTFFMWZCZKQYBN-NVXWUHKLSA-N 0 0 435.596 2.709 50 0 IFAARN O=c1/c(=C/C2=Cc3ccccc3OC2)sc2nc(=O)c(Cc3ccc(Cl)cc3)nn12 ZINC000002704436 556123619 /nfs/dbraw/zinc/12/36/19/556123619.db2.gz YGSVEOUMZVCTMT-ODLFYWEKSA-N 0 0 435.892 2.731 50 0 IFAARN COC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccccc1OC ZINC000002724074 556127367 /nfs/dbraw/zinc/12/73/67/556127367.db2.gz NZWMTFAPGVSLKE-UHFFFAOYSA-N 0 0 426.498 2.779 50 0 IFAARN COC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cc(OC)ccc1OC ZINC000002724038 556131002 /nfs/dbraw/zinc/13/10/02/556131002.db2.gz FEIKXXXHWYWLAL-UHFFFAOYSA-N 0 0 448.526 2.541 50 0 IFAARN Cc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)nn1Cc1cccc(C(F)(F)F)c1 ZINC000002728764 556133863 /nfs/dbraw/zinc/13/38/63/556133863.db2.gz KPVFOAWCRFLPCU-UHFFFAOYSA-N 0 0 444.479 2.869 50 0 IFAARN CCOC(=O)N1CCN(C(=O)[C@H](C)n2cc(NC(=O)c3cc(C)c(C)s3)c(C)n2)CC1 ZINC000002732216 556134876 /nfs/dbraw/zinc/13/48/76/556134876.db2.gz GOTDSHPCPIGTNZ-HNNXBMFYSA-N 0 0 447.561 2.984 50 0 IFAARN C[C@H](CNS(=O)(=O)c1ccc(Cl)s1)NS(=O)(=O)c1ccc(Cl)s1 ZINC000002735472 556135428 /nfs/dbraw/zinc/13/54/28/556135428.db2.gz GYNBNKKPOMXNPB-SSDOTTSWSA-N 0 0 435.401 2.762 50 0 IFAARN Cc1nn(CC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCC4)cc1Br ZINC000002780195 556141579 /nfs/dbraw/zinc/14/15/79/556141579.db2.gz AYXQQPWAGWKDOJ-UHFFFAOYSA-N 0 0 436.335 2.683 50 0 IFAARN CCn1cc(Cl)c(-c2nnc(SCC(=O)NCC(C)C)n2C[C@H]2CCCO2)n1 ZINC000002791793 556144360 /nfs/dbraw/zinc/14/43/60/556144360.db2.gz RYSADFCVFMCLMC-CYBMUJFWSA-N 0 0 426.974 2.858 50 0 IFAARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Cl)C1 ZINC000002808163 556146397 /nfs/dbraw/zinc/14/63/97/556146397.db2.gz NPVPEYMIIDHZDK-NSHDSACASA-N 0 0 449.335 2.987 50 0 IFAARN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 ZINC000008218160 556153272 /nfs/dbraw/zinc/15/32/72/556153272.db2.gz PMOGPVPJWXUHJI-OAHLLOKOSA-N 0 0 425.485 2.835 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000008424457 556167950 /nfs/dbraw/zinc/16/79/50/556167950.db2.gz INOKDTWEHYROKC-QIPHDZALSA-N 0 0 428.510 2.999 50 0 IFAARN COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1OC ZINC000008430360 556170357 /nfs/dbraw/zinc/17/03/57/556170357.db2.gz OPMXHRBHOVSRHQ-UHFFFAOYSA-N 0 0 448.585 2.930 50 0 IFAARN CCOc1cc([C@@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)ccc1O ZINC000008438638 556174650 /nfs/dbraw/zinc/17/46/50/556174650.db2.gz XECKZJRXQSHIAF-QTDGGUCWSA-N 0 0 436.501 2.734 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008442920 556177770 /nfs/dbraw/zinc/17/77/70/556177770.db2.gz GCSRYIUBFIRDKF-CURYZJDOSA-N 0 0 434.517 2.807 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccn3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000008451315 556181845 /nfs/dbraw/zinc/18/18/45/556181845.db2.gz METOQEBONMBLPG-YMFQVDJJSA-N 0 0 433.533 2.927 50 0 IFAARN COC(=O)Cn1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc21 ZINC000008451800 556182421 /nfs/dbraw/zinc/18/24/21/556182421.db2.gz GIYYATHUFLERCZ-YBFXNURJSA-N 0 0 446.463 2.654 50 0 IFAARN O=c1c(F)cn(C[C@H]2CC(c3ccccc3)=NO2)c(=O)n1C[C@@H]1CC(c2ccccc2)=NO1 ZINC000008636775 556194788 /nfs/dbraw/zinc/19/47/88/556194788.db2.gz KLNWIUUMHFHJPC-MOPGFXCFSA-N 0 0 448.454 2.536 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(C[C@@H](C)O)n2-c2ccccc2)cc1 ZINC000008705740 556201003 /nfs/dbraw/zinc/20/10/03/556201003.db2.gz ATTVNSZHPCHADY-CQSZACIVSA-N 0 0 425.514 2.880 50 0 IFAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccc(-n2cnnn2)cc1 ZINC000008745023 556208780 /nfs/dbraw/zinc/20/87/80/556208780.db2.gz YDXJKPMDTOXWEE-UHFFFAOYSA-N 0 0 432.513 2.910 50 0 IFAARN COc1cc(OC)c(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OC)c1 ZINC000008816372 556217795 /nfs/dbraw/zinc/21/77/95/556217795.db2.gz ZLOIXHXTOZAVGR-BOPFTXTBSA-N 0 0 425.441 2.552 50 0 IFAARN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 ZINC000008817484 556217953 /nfs/dbraw/zinc/21/79/53/556217953.db2.gz JTMTYCLRTRCGOP-INIZCTEOSA-N 0 0 449.891 2.983 50 0 IFAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccnc4)c(=O)n32)cc1 ZINC000008835941 556225739 /nfs/dbraw/zinc/22/57/39/556225739.db2.gz QTVJYKHBVBHLOA-PRWBYUBPSA-N 0 0 449.532 2.590 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(CCOc1ccc(C)cc1)C2=O ZINC000008843687 556226411 /nfs/dbraw/zinc/22/64/11/556226411.db2.gz PROXFKYIKWHHPS-JOCHJYFZSA-N 0 0 438.509 2.576 50 0 IFAARN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)c1ccc(Cl)cc1Cl ZINC000008924081 556233965 /nfs/dbraw/zinc/23/39/65/556233965.db2.gz PPGPITSYLMKDDI-CYBMUJFWSA-N 0 0 435.263 2.913 50 0 IFAARN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000008927478 556234614 /nfs/dbraw/zinc/23/46/14/556234614.db2.gz HCCITTNYYRILCR-CQSZACIVSA-N 0 0 435.263 2.913 50 0 IFAARN Cn1c2nc(N3CCCCCC3)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O ZINC000008934187 556235090 /nfs/dbraw/zinc/23/50/90/556235090.db2.gz FQUZQBJZMSMCNS-UHFFFAOYSA-N 0 0 432.322 2.615 50 0 IFAARN COc1ccc(OC)c(Nc2nc(N)nc(CSc3nnc(-c4ccncc4)o3)n2)c1 ZINC000009088061 556245923 /nfs/dbraw/zinc/24/59/23/556245923.db2.gz TXLWTLKDEXHVPP-UHFFFAOYSA-N 0 0 438.473 2.952 50 0 IFAARN C[C@]1(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CCS(=O)(=O)C1 ZINC000009184020 556250130 /nfs/dbraw/zinc/25/01/30/556250130.db2.gz KQWMBSZCXFDGIL-QFIPXVFZSA-N 0 0 427.478 2.532 50 0 IFAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)oc1c3CCCC1 ZINC000009184016 556250232 /nfs/dbraw/zinc/25/02/32/556250232.db2.gz YDIQUJHZWYEIBS-AWEZNQCLSA-N 0 0 443.521 2.914 50 0 IFAARN C[C@@]1(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CCS(=O)(=O)C1 ZINC000009184021 556250269 /nfs/dbraw/zinc/25/02/69/556250269.db2.gz KQWMBSZCXFDGIL-JOCHJYFZSA-N 0 0 427.478 2.532 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2)CC1 ZINC000009190936 556253227 /nfs/dbraw/zinc/25/32/27/556253227.db2.gz WCPPLTSIXDVQGM-KRWDZBQOSA-N 0 0 433.574 2.837 50 0 IFAARN CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 ZINC000009191118 556253437 /nfs/dbraw/zinc/25/34/37/556253437.db2.gz LPOCXNMPVXXLNR-QGZVFWFLSA-N 0 0 429.542 2.929 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4OC)C3)c2c1 ZINC000009197012 556255084 /nfs/dbraw/zinc/25/50/84/556255084.db2.gz URFQSOYDFOGNIC-INIZCTEOSA-N 0 0 437.496 2.906 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000009226889 556260647 /nfs/dbraw/zinc/26/06/47/556260647.db2.gz YVMPTTNVINBGAI-MRXNPFEDSA-N 0 0 440.525 2.598 50 0 IFAARN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1 ZINC000009226896 556260704 /nfs/dbraw/zinc/26/07/04/556260704.db2.gz BPZLQBGOIXHVDC-UHFFFAOYSA-N 0 0 442.541 2.846 50 0 IFAARN Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C(C)C)s1 ZINC000009227639 556261052 /nfs/dbraw/zinc/26/10/52/556261052.db2.gz QDFKTNXCQHOUSM-KRWDZBQOSA-N 0 0 440.616 2.762 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(Br)o1 ZINC000009268469 556270757 /nfs/dbraw/zinc/27/07/57/556270757.db2.gz BSHNJQBRRJLGEV-LBPRGKRZSA-N 0 0 429.292 2.752 50 0 IFAARN COc1cc(NC(=O)C2=CC(c3ccc(C)cc3)=NS(=O)(=O)N2C)cc(OC)c1OC ZINC000009289966 556273780 /nfs/dbraw/zinc/27/37/80/556273780.db2.gz ZNQRYRHTUSOZGS-UHFFFAOYSA-N 0 0 445.497 2.523 50 0 IFAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)C(C)(C)S[C@@H]21 ZINC000013687429 556277099 /nfs/dbraw/zinc/27/70/99/556277099.db2.gz WKJPWCYMCSOQII-XLIONFOSSA-N 0 0 438.509 2.989 50 0 IFAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CNC(=O)[C@@H]2CCCO2)n3C)cc1OC ZINC000013688049 556277780 /nfs/dbraw/zinc/27/77/80/556277780.db2.gz FRBKRHWDGJWOAO-IBGZPJMESA-N 0 0 438.484 2.638 50 0 IFAARN COc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(OC)c(OC)c4)cc3c2=O)cc1 ZINC000009321260 556280977 /nfs/dbraw/zinc/28/09/77/556280977.db2.gz HGGMIEGUHUAJLR-UHFFFAOYSA-N 0 0 434.452 2.828 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000009327502 556282099 /nfs/dbraw/zinc/28/20/99/556282099.db2.gz AJWFRQVMEXGNTC-PRWBYUBPSA-N 0 0 433.533 2.927 50 0 IFAARN COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc1)c2=O ZINC000013693272 556282891 /nfs/dbraw/zinc/28/28/91/556282891.db2.gz XBLBVBSQZQXPHG-HNNXBMFYSA-N 0 0 443.477 2.819 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009355824 556284659 /nfs/dbraw/zinc/28/46/59/556284659.db2.gz IMSNPBPYIBCKND-MAUKXSAKSA-N 0 0 425.460 2.726 50 0 IFAARN O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000009355818 556284756 /nfs/dbraw/zinc/28/47/56/556284756.db2.gz ALQRAJVYSSRYFQ-GOSISDBHSA-N 0 0 430.526 2.539 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(CS(=O)(=O)c2ccccc2)s1 ZINC000009355795 556284782 /nfs/dbraw/zinc/28/47/82/556284782.db2.gz DDEBKAXTAUAIIO-VQHVLOKHSA-N 0 0 429.479 2.893 50 0 IFAARN COc1ccc(C[C@@H](C)NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1OC ZINC000009409625 556287753 /nfs/dbraw/zinc/28/77/53/556287753.db2.gz QULWRUUHEYWLQX-LLVKDONJSA-N 0 0 440.905 2.712 50 0 IFAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccccc1)c(=O)n(-c1ccccc1)c2=O ZINC000009410180 556288122 /nfs/dbraw/zinc/28/81/22/556288122.db2.gz KBENNFVKGZHLEL-UHFFFAOYSA-N 0 0 431.448 2.808 50 0 IFAARN O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)N[C@H]1CCS(=O)(=O)C1 ZINC000013724359 556292121 /nfs/dbraw/zinc/29/21/21/556292121.db2.gz XQITWKQJINHQGJ-INIZCTEOSA-N 0 0 447.896 2.796 50 0 IFAARN COc1cc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)ccc1O ZINC000013728446 556294291 /nfs/dbraw/zinc/29/42/91/556294291.db2.gz ALHQOFJOQVBCSN-XMSQKQJNSA-N 0 0 426.494 2.645 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cn4cncn4)cc3)CC2)cc1 ZINC000013730689 556295590 /nfs/dbraw/zinc/29/55/90/556295590.db2.gz NFLNZYLNKAQCCG-UHFFFAOYSA-N 0 0 439.541 2.674 50 0 IFAARN Cc1oc2cc(OCC(=O)N[C@H]3C=CS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 ZINC000013731140 556295727 /nfs/dbraw/zinc/29/57/27/556295727.db2.gz DGPGBCMUBJEBAS-INIZCTEOSA-N 0 0 425.462 2.574 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1Cl ZINC000009525889 556296325 /nfs/dbraw/zinc/29/63/25/556296325.db2.gz XWILETMOSUHUIY-OAHLLOKOSA-N 0 0 443.887 2.632 50 0 IFAARN COc1cc2cc(C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2cc1OC ZINC000013732819 556296419 /nfs/dbraw/zinc/29/64/19/556296419.db2.gz SEKNWMJTQCCYKV-UHFFFAOYSA-N 0 0 425.441 2.715 50 0 IFAARN COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 ZINC000009525953 556296708 /nfs/dbraw/zinc/29/67/08/556296708.db2.gz IEUYCBWIGPVDOK-CQSZACIVSA-N 0 0 430.844 2.661 50 0 IFAARN CCOc1ccc(-c2cc(C(=O)Nc3cccc4c(=O)[nH][nH]c(=O)c34)no2)cc1OCC ZINC000013733530 556296716 /nfs/dbraw/zinc/29/67/16/556296716.db2.gz QVKVNJSYDPXSGA-UHFFFAOYSA-N 0 0 436.424 2.921 50 0 IFAARN COc1cccc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)c1OC ZINC000013734054 556297101 /nfs/dbraw/zinc/29/71/01/556297101.db2.gz UASAJKZYTLTOBP-SIKLNZKXSA-N 0 0 440.521 2.948 50 0 IFAARN COc1cccc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)c1OC ZINC000013734048 556297210 /nfs/dbraw/zinc/29/72/10/556297210.db2.gz UASAJKZYTLTOBP-UGKGYDQZSA-N 0 0 440.521 2.948 50 0 IFAARN O=C(C1CC1)N1CC2(c3ccccc3)CN(C(=O)C3CC3)CC(c3ccccc3)(C1)C2O ZINC000013736565 556297821 /nfs/dbraw/zinc/29/78/21/556297821.db2.gz FMJGUNSNHHKKPW-UHFFFAOYSA-N 0 0 430.548 2.728 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1ccccc1 ZINC000013739514 556298108 /nfs/dbraw/zinc/29/81/08/556298108.db2.gz KCOZDSHLHLSRLO-CKNGIZQFSA-N 0 0 434.517 2.807 50 0 IFAARN CCCN1c2ccccc2/C(=c2/sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)C1=O ZINC000013748792 556298455 /nfs/dbraw/zinc/29/84/55/556298455.db2.gz FBBVUZFMQNWNOE-HNENSFHCSA-N 0 0 448.504 2.510 50 0 IFAARN O=C1C[C@H](N(O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C(=O)N1c1cccc(Cl)c1 ZINC000013750601 556298981 /nfs/dbraw/zinc/29/89/81/556298981.db2.gz RMEDJTYVJVFEDI-HOTGVXAUSA-N 0 0 448.262 2.649 50 0 IFAARN COc1ccc([C@@H]2SCC(=O)N2NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000013756461 556300782 /nfs/dbraw/zinc/30/07/82/556300782.db2.gz UZHIPWGVGJWKGX-QFIPXVFZSA-N 0 0 440.477 2.794 50 0 IFAARN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000009591221 556301051 /nfs/dbraw/zinc/30/10/51/556301051.db2.gz HRDPIVUBJLTKPP-ZDUSSCGKSA-N 0 0 435.263 2.913 50 0 IFAARN COCCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)cc1 ZINC000009593896 556301453 /nfs/dbraw/zinc/30/14/53/556301453.db2.gz UWVHMCFILZXESM-RBUKOAKNSA-N 0 0 439.541 2.866 50 0 IFAARN O=C(COc1ccc(Br)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000013759227 556301468 /nfs/dbraw/zinc/30/14/68/556301468.db2.gz QGIIAFMMTCVRBO-CQSZACIVSA-N 0 0 428.304 2.637 50 0 IFAARN Cc1cc(CN2CCN(C(=O)CCCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)no1 ZINC000032741381 556303048 /nfs/dbraw/zinc/30/30/48/556303048.db2.gz QMZGBFMHHPKEJG-UHFFFAOYSA-N 0 0 446.507 2.857 50 0 IFAARN O=S(=O)(NCCOc1ccccc1)c1ccc2oc3cc(-n4cnnn4)ccc3c2c1 ZINC000009614328 556303565 /nfs/dbraw/zinc/30/35/65/556303565.db2.gz JULXLOONZZVEAP-UHFFFAOYSA-N 0 0 435.465 2.919 50 0 IFAARN COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)NCc2ccc(OC)cc2)c1 ZINC000009661570 556304639 /nfs/dbraw/zinc/30/46/39/556304639.db2.gz SQXQXMWWZQTKHP-UHFFFAOYSA-N 0 0 432.480 2.724 50 0 IFAARN Cc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000009667847 556305216 /nfs/dbraw/zinc/30/52/16/556305216.db2.gz OKZLGLNLHHBNOV-QGZVFWFLSA-N 0 0 430.511 2.610 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000009698684 556306527 /nfs/dbraw/zinc/30/65/27/556306527.db2.gz LMFATCRPVKZAPJ-VQIMIIECSA-N 0 0 437.496 2.596 50 0 IFAARN CCOc1ccc(CCNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1OCC ZINC000004469455 556309808 /nfs/dbraw/zinc/30/98/08/556309808.db2.gz DXBYMNSJVNOWIM-UHFFFAOYSA-N 0 0 431.533 2.788 50 0 IFAARN CC(=O)N1CCc2cc(NC(=O)[C@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)ccc21 ZINC000032753090 556315109 /nfs/dbraw/zinc/31/51/09/556315109.db2.gz ILFSMOWDPDHBDD-UYAOXDASSA-N 0 0 427.501 2.516 50 0 IFAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC000032747274 556315696 /nfs/dbraw/zinc/31/56/96/556315696.db2.gz ZFKWMGOHZHERLA-FQEVSTJZSA-N 0 0 430.464 2.641 50 0 IFAARN COc1ccc(CN2C(=O)C[C@@H](N3CCN(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000009906811 556315971 /nfs/dbraw/zinc/31/59/71/556315971.db2.gz YHUKBPJXPONGJQ-LJQANCHMSA-N 0 0 436.537 2.755 50 0 IFAARN C[C@@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013844300 556318441 /nfs/dbraw/zinc/31/84/41/556318441.db2.gz ZNJXOJWEXGNUGB-JTPHSUOKSA-N 0 0 427.570 2.699 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(F)ccc3F)n2C)cc1 ZINC000009953678 556318956 /nfs/dbraw/zinc/31/89/56/556318956.db2.gz CUYSZHHDOZQQCG-UHFFFAOYSA-N 0 0 447.467 2.763 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000032759370 556319537 /nfs/dbraw/zinc/31/95/37/556319537.db2.gz QRWWZAZVPQTEAW-UHFFFAOYSA-N 0 0 446.953 2.873 50 0 IFAARN CCCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1=O ZINC000013847932 556319823 /nfs/dbraw/zinc/31/98/23/556319823.db2.gz GWMCPPRLDDIJKY-LJQANCHMSA-N 0 0 443.569 2.795 50 0 IFAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000013858185 556322187 /nfs/dbraw/zinc/32/21/87/556322187.db2.gz KAWDMKPWQGBWBU-UHFFFAOYSA-N 0 0 428.894 2.625 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000032755631 556324702 /nfs/dbraw/zinc/32/47/02/556324702.db2.gz GQSMCHZUJDDBHP-UHFFFAOYSA-N 0 0 433.917 2.977 50 0 IFAARN O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032759092 556325102 /nfs/dbraw/zinc/32/51/02/556325102.db2.gz STULVVYXBSJOLN-FQEVSTJZSA-N 0 0 427.570 2.749 50 0 IFAARN CCOc1cc([C@H]2c3c(-c4cccc(OC)c4)n[nH]c(=O)c3Nc3nnnn32)ccc1O ZINC000010296989 556330137 /nfs/dbraw/zinc/33/01/37/556330137.db2.gz MKLRXWFTXBTPMG-IBGZPJMESA-N 0 0 433.428 2.643 50 0 IFAARN O=C1CCCN1c1ccc(CN2C(=O)c3cc(Br)ccc3S2(=O)=O)cc1 ZINC000032765226 556332815 /nfs/dbraw/zinc/33/28/15/556332815.db2.gz JVFGQUPXWNEWAA-UHFFFAOYSA-N 0 0 435.299 2.921 50 0 IFAARN O=C(COC(=O)Cn1c2ccccc2nc1C(F)(F)F)NCc1ccc2c(c1)OCO2 ZINC000013930233 556334188 /nfs/dbraw/zinc/33/41/88/556334188.db2.gz YXOCBNSIRJYHGT-UHFFFAOYSA-N 0 0 435.358 2.643 50 0 IFAARN CCc1ccc(C(=O)C[C@]2(O)c3cc(Br)ccc3N(CC(=O)OC)C2=O)cc1 ZINC000013940675 556337846 /nfs/dbraw/zinc/33/78/46/556337846.db2.gz XRTLSNIXZZJUCB-NRFANRHFSA-N 0 0 446.297 2.992 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(CCOc2ccccc2)CC1 ZINC000022919935 556340235 /nfs/dbraw/zinc/34/02/35/556340235.db2.gz JQBGZHXHXXLVKY-NRFANRHFSA-N 0 0 438.572 2.547 50 0 IFAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)N1CCN(C=O)CC1 ZINC000013945772 556343077 /nfs/dbraw/zinc/34/30/77/556343077.db2.gz QJXDMLNEZFTLQA-XMMPIXPASA-N 0 0 430.508 2.712 50 0 IFAARN CN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000032780663 556346018 /nfs/dbraw/zinc/34/60/18/556346018.db2.gz AHGZUYAQVCMWOR-LPHOPBHVSA-N 0 0 434.945 2.847 50 0 IFAARN COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 ZINC000011758960 556349410 /nfs/dbraw/zinc/34/94/10/556349410.db2.gz BDZCHRNQOZPSHU-IBGZPJMESA-N 0 0 445.560 2.606 50 0 IFAARN O=C(Cn1nnc(-c2ccco2)n1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000032788468 556350774 /nfs/dbraw/zinc/35/07/74/556350774.db2.gz NXXYVSXPGKFWFE-UHFFFAOYSA-N 0 0 437.485 2.532 50 0 IFAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000013986244 556351804 /nfs/dbraw/zinc/35/18/04/556351804.db2.gz ZZINBQBTWHZPHZ-UHFFFAOYSA-N 0 0 434.477 2.860 50 0 IFAARN CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN1CCC(C(N)=O)CC1 ZINC000011787601 556354173 /nfs/dbraw/zinc/35/41/73/556354173.db2.gz KERQEUBLMLYMKY-UHFFFAOYSA-N 0 0 439.541 2.870 50 0 IFAARN COc1ccc(N2C(=O)C[C@@H](N3CCC(N(C(C)=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000014010950 556354818 /nfs/dbraw/zinc/35/48/18/556354818.db2.gz TZERLAXXVDIVNY-JOCHJYFZSA-N 0 0 439.487 2.984 50 0 IFAARN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)c1ccc(-n2cncn2)cc1 ZINC000014014837 556355515 /nfs/dbraw/zinc/35/55/15/556355515.db2.gz UHOIVKXMWKCWBO-ZDUSSCGKSA-N 0 0 445.932 2.852 50 0 IFAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCN(C(=O)C3CC3)CC2)cc1 ZINC000014019120 556356236 /nfs/dbraw/zinc/35/62/36/556356236.db2.gz SVTHOBBHQNHIDH-DEOSSOPVSA-N 0 0 446.551 2.927 50 0 IFAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)Cn2cccn2)cc1OCC1(C)COC1 ZINC000011813600 556356779 /nfs/dbraw/zinc/35/67/79/556356779.db2.gz MARCUQXNNGRECL-LJQANCHMSA-N 0 0 429.517 2.515 50 0 IFAARN Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1ccc(F)c(F)c1)CC2 ZINC000011813503 556356855 /nfs/dbraw/zinc/35/68/55/556356855.db2.gz LIPVOHATTJPYSZ-MQDFFIGUSA-N 0 0 430.455 2.957 50 0 IFAARN Cc1ccnn1-c1ccc(C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 ZINC000014066373 556359227 /nfs/dbraw/zinc/35/92/27/556359227.db2.gz BXXKUOUBJPNDRX-HXUWFJFHSA-N 0 0 441.557 2.626 50 0 IFAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000014076874 556362187 /nfs/dbraw/zinc/36/21/87/556362187.db2.gz ISGSYKYPVMTBFQ-AWEZNQCLSA-N 0 0 438.889 2.778 50 0 IFAARN O=C(CCc1ccccc1)Nc1ccnn1C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000011821066 556362352 /nfs/dbraw/zinc/36/23/52/556362352.db2.gz JBIXASDYSDZBFL-UHFFFAOYSA-N 0 0 439.541 2.875 50 0 IFAARN COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(OC)c1OC ZINC000032797506 556364383 /nfs/dbraw/zinc/36/43/83/556364383.db2.gz XEEJWIQSIKZNHM-UHFFFAOYSA-N 0 0 448.497 2.547 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccccc1F)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000014095052 556366946 /nfs/dbraw/zinc/36/69/46/556366946.db2.gz RDMCELMZRCWEIH-UHFFFAOYSA-N 0 0 441.912 2.623 50 0 IFAARN CC(=O)N[C@@H](C)C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000011874480 556370760 /nfs/dbraw/zinc/37/07/60/556370760.db2.gz IIMDOPXCVXBVQN-KRWDZBQOSA-N 0 0 425.533 2.533 50 0 IFAARN CN(CC(=O)OCc1nc2ccccc2n1C(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC000014121349 556372254 /nfs/dbraw/zinc/37/22/54/556372254.db2.gz PZFKYWCKEKCHNW-UHFFFAOYSA-N 0 0 427.404 2.934 50 0 IFAARN COc1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H](C)n2nc(C)cc2C)C3)nn1 ZINC000011880458 556372556 /nfs/dbraw/zinc/37/25/56/556372556.db2.gz RMXOFXGSIGHYAN-PBHICJAKSA-N 0 0 425.464 2.786 50 0 IFAARN CC1=C(C(=O)N2CCOCC2)[C@@H](c2cc(Br)cs2)NC(=O)N1C1CC1 ZINC000014123794 556372808 /nfs/dbraw/zinc/37/28/08/556372808.db2.gz JVEUBBBVHHAICY-OAHLLOKOSA-N 0 0 426.336 2.872 50 0 IFAARN COCCN1C(=O)C[C@](CC(=O)NCc2ccc(F)cc2F)(c2ccccc2C)C1=O ZINC000011881959 556373284 /nfs/dbraw/zinc/37/32/84/556373284.db2.gz OTXONNCTTYCHIB-HSZRJFAPSA-N 0 0 430.451 2.623 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H]1c1cccs1 ZINC000014129612 556374531 /nfs/dbraw/zinc/37/45/31/556374531.db2.gz NOOGSQKYXXLPNB-QFBILLFUSA-N 0 0 449.598 2.933 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000014129653 556374853 /nfs/dbraw/zinc/37/48/53/556374853.db2.gz ZQXNCHPUEDDENO-UHFFFAOYSA-N 0 0 445.497 2.604 50 0 IFAARN Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 ZINC000014158063 556377945 /nfs/dbraw/zinc/37/79/45/556377945.db2.gz CXQFTKPUSOFZSC-ZNKOEICNSA-N 0 0 446.613 2.861 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)cc1 ZINC000014162298 556378625 /nfs/dbraw/zinc/37/86/25/556378625.db2.gz KWBNIGMAECMPOH-XMMPIXPASA-N 0 0 430.464 2.605 50 0 IFAARN Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)COc3ccc(Br)cc3)C2=O)cc1 ZINC000014167096 556380063 /nfs/dbraw/zinc/38/00/63/556380063.db2.gz QOJUCBGVWNIPGE-OXJNMPFZSA-N 0 0 433.302 2.964 50 0 IFAARN COc1ccc(C(=O)Nc2ccccc2Br)cc1S(=O)(=O)N(C)OC ZINC000014180160 556381993 /nfs/dbraw/zinc/38/19/93/556381993.db2.gz YSTRTTVPYBJAFR-UHFFFAOYSA-N 0 0 429.292 2.892 50 0 IFAARN Cc1c(C(=O)N2CCCC[C@H]2CCO)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000011968114 556382159 /nfs/dbraw/zinc/38/21/59/556382159.db2.gz UWFNRYJBQURZEF-INIZCTEOSA-N 0 0 445.589 2.801 50 0 IFAARN Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000014182855 556383016 /nfs/dbraw/zinc/38/30/16/556383016.db2.gz MKQYVKPPLLVBCU-UHFFFAOYSA-N 0 0 428.432 2.866 50 0 IFAARN O=C(Nc1cnn(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)c1)[C@H]1CCOC1 ZINC000011981996 556383474 /nfs/dbraw/zinc/38/34/74/556383474.db2.gz ZVZQFLWJLQLQSU-FQEVSTJZSA-N 0 0 445.523 2.810 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000014183876 556383730 /nfs/dbraw/zinc/38/37/30/556383730.db2.gz IQFIAZWRDFEJEA-UHFFFAOYSA-N 0 0 429.278 2.648 50 0 IFAARN COC(=O)[C@@H]1CCCN1C(=O)c1cc2ncn(Cc3ccc(F)cc3)c2c(NC(C)=O)c1 ZINC000011995351 556383692 /nfs/dbraw/zinc/38/36/92/556383692.db2.gz TYEINACXSJWAIS-FQEVSTJZSA-N 0 0 438.459 2.960 50 0 IFAARN CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2ccccc2F)C3)n(C)n1 ZINC000011995453 556383732 /nfs/dbraw/zinc/38/37/32/556383732.db2.gz LBJAJVDBKCKNIG-UHFFFAOYSA-N 0 0 435.503 2.954 50 0 IFAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000014184540 556384552 /nfs/dbraw/zinc/38/45/52/556384552.db2.gz HQOYPWBTKGEYJR-UHFFFAOYSA-N 0 0 448.508 2.702 50 0 IFAARN Cc1ccc(OCC(=O)N2CCC3(C[C@@H]3C(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000011997880 556384635 /nfs/dbraw/zinc/38/46/35/556384635.db2.gz DOTDDPQKOIDRBH-JOCHJYFZSA-N 0 0 448.567 2.746 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000014197632 556389101 /nfs/dbraw/zinc/38/91/01/556389101.db2.gz XPZBWQYRUNLHTR-UHFFFAOYSA-N 0 0 440.569 2.570 50 0 IFAARN O=C(CNC(=O)CSc1nnc(-c2ccc[nH]2)o1)Nc1ccccc1Br ZINC000014198084 556389472 /nfs/dbraw/zinc/38/94/72/556389472.db2.gz YRIXZBOBJKQRFM-UHFFFAOYSA-N 0 0 436.291 2.674 50 0 IFAARN COc1cc(Br)c(CCNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1OC ZINC000014198467 556389759 /nfs/dbraw/zinc/38/97/59/556389759.db2.gz ASCGOMPZLJSTID-SFHVURJKSA-N 0 0 434.286 2.907 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000014198815 556389904 /nfs/dbraw/zinc/38/99/04/556389904.db2.gz PATFFIQLWQSKEV-NRFANRHFSA-N 0 0 444.553 2.689 50 0 IFAARN Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3nc(-c4ccc5c(c4)CCCC5)cs3)cnc21 ZINC000014198928 556389998 /nfs/dbraw/zinc/38/99/98/556389998.db2.gz JJURELCGMJUMKQ-UHFFFAOYSA-N 0 0 433.493 2.876 50 0 IFAARN CN(CC(=O)NCc1ccc(NC(=O)C2CC2)cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000014198974 556390040 /nfs/dbraw/zinc/39/00/40/556390040.db2.gz FDZBHGHRTQDMIK-UHFFFAOYSA-N 0 0 441.962 2.687 50 0 IFAARN CN(C(=O)CSc1nnc(C2CC2)n1C)c1ccccc1C(=O)NCc1ccco1 ZINC000014200551 556390998 /nfs/dbraw/zinc/39/09/98/556390998.db2.gz NULUZXGCVMBSNE-UHFFFAOYSA-N 0 0 425.514 2.971 50 0 IFAARN Cc1ccc(OCCNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(C)c1 ZINC000014229081 556396338 /nfs/dbraw/zinc/39/63/38/556396338.db2.gz YUVLOEPNUCGNQA-UHFFFAOYSA-N 0 0 441.553 2.660 50 0 IFAARN COc1ccc(OCCCC(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000014230343 556397003 /nfs/dbraw/zinc/39/70/03/556397003.db2.gz YDCLIRZSPVTYQO-QFIPXVFZSA-N 0 0 445.947 2.878 50 0 IFAARN CN(C)C(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2ccccc2O1 ZINC000032810582 556397015 /nfs/dbraw/zinc/39/70/15/556397015.db2.gz HCSATOVLJBZQKC-UWJYYQICSA-N 0 0 436.512 2.813 50 0 IFAARN O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000014230553 556397275 /nfs/dbraw/zinc/39/72/75/556397275.db2.gz JAXVEMNXPJMUAX-UHFFFAOYSA-N 0 0 444.413 2.836 50 0 IFAARN COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000014232686 556398533 /nfs/dbraw/zinc/39/85/33/556398533.db2.gz HNYHYPZSUFYINQ-UHFFFAOYSA-N 0 0 428.554 2.901 50 0 IFAARN CCN1C[C@@H](CN(C)C[C@@H](O)COc2ccc(C(C)=O)cc2OC)Oc2ccccc21 ZINC000032814656 556400276 /nfs/dbraw/zinc/40/02/76/556400276.db2.gz QSGVEDDHVXAIEO-WOJBJXKFSA-N 0 0 428.529 2.857 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)c1C ZINC000014239122 556400534 /nfs/dbraw/zinc/40/05/34/556400534.db2.gz HRHZYCVBEDSHQP-UHFFFAOYSA-N 0 0 448.567 2.822 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CN3CCc4ccccc4[C@@H]3C(=O)N3CCCC3)CC2)c1 ZINC000064611351 556403013 /nfs/dbraw/zinc/40/30/13/556403013.db2.gz LNZQRCFLSCZGPP-AREMUKBSSA-N 0 0 446.595 2.865 50 0 IFAARN CC(C)C[C@H](C(=O)O[C@@H](C)C(=O)NCc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000014242907 556403441 /nfs/dbraw/zinc/40/34/41/556403441.db2.gz JKDGEPBEDYKLLP-IJXRJRJASA-N 0 0 426.513 2.600 50 0 IFAARN COc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1Br ZINC000014245309 556405074 /nfs/dbraw/zinc/40/50/74/556405074.db2.gz QJAXZCMSLYBXSK-UHFFFAOYSA-N 0 0 448.365 2.734 50 0 IFAARN CCOC(=O)C1=C(Cn2nc(-c3ccc(F)cc3)oc2=O)NC(=O)N[C@H]1c1ccccc1 ZINC000032823767 556408391 /nfs/dbraw/zinc/40/83/91/556408391.db2.gz UWZKFLQKHSILLE-SFHVURJKSA-N 0 0 438.415 2.514 50 0 IFAARN O=C(Cn1c2sc(N3CCOCC3)nc2c(-c2ccco2)nc1=O)c1ccc(F)cc1 ZINC000032615674 556408853 /nfs/dbraw/zinc/40/88/53/556408853.db2.gz RHAJNFYJRRWIPD-UHFFFAOYSA-N 0 0 440.456 2.972 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCCn2c(=O)oc3ccccc32)c1 ZINC000014250961 556408999 /nfs/dbraw/zinc/40/89/99/556408999.db2.gz ROIOLSWJCPQQBL-UHFFFAOYSA-N 0 0 447.513 2.750 50 0 IFAARN CCc1ccc(CCC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 ZINC000014251280 556409031 /nfs/dbraw/zinc/40/90/31/556409031.db2.gz LIFUVRDXFBSXFF-UHFFFAOYSA-N 0 0 430.570 2.660 50 0 IFAARN COc1cccc(C(=O)NCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 ZINC000014251243 556409040 /nfs/dbraw/zinc/40/90/40/556409040.db2.gz JKIMKQMVPFBHGF-UHFFFAOYSA-N 0 0 426.498 2.510 50 0 IFAARN COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CCn2ncc(=O)c3ccccc32)cc1 ZINC000032820940 556412640 /nfs/dbraw/zinc/41/26/40/556412640.db2.gz MBAJYGDICNIBMP-FQEVSTJZSA-N 0 0 437.496 2.994 50 0 IFAARN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CCn2ncc(=O)c3ccccc32)cc1 ZINC000032820938 556412688 /nfs/dbraw/zinc/41/26/88/556412688.db2.gz MBAJYGDICNIBMP-HXUWFJFHSA-N 0 0 437.496 2.994 50 0 IFAARN Cn1c(Cc2cccs2)nnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000032829886 556416508 /nfs/dbraw/zinc/41/65/08/556416508.db2.gz RQSMBPSBZXQFIH-UHFFFAOYSA-N 0 0 431.499 2.637 50 0 IFAARN CCOc1c(Cl)cc(C(=O)N2CSC[C@@H]2C(=O)NCC(F)(F)F)cc1OC ZINC000032833950 556417928 /nfs/dbraw/zinc/41/79/28/556417928.db2.gz NJGJMMIQQCGYNF-LLVKDONJSA-N 0 0 426.844 2.941 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)CCn3ncc(=O)c4ccccc43)ccc21 ZINC000032837710 556419088 /nfs/dbraw/zinc/41/90/88/556419088.db2.gz QZTTXJIXJGQWKO-HNNXBMFYSA-N 0 0 433.464 2.510 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)c(C)c1 ZINC000012973181 556419780 /nfs/dbraw/zinc/41/97/80/556419780.db2.gz RZFDFQWVFUHMJU-HXUWFJFHSA-N 0 0 428.554 2.696 50 0 IFAARN COc1cccc(CO[C@@H]2CN(C(=O)c3c[nH]cn3)CC(=O)N(CCc3ccccc3)C2)c1 ZINC000014533076 556421555 /nfs/dbraw/zinc/42/15/55/556421555.db2.gz ZZQKTVMERAIOGI-QFIPXVFZSA-N 0 0 448.523 2.531 50 0 IFAARN CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)[C@H]2COc3ccccc3C2)CC1=O ZINC000014533101 556421622 /nfs/dbraw/zinc/42/16/22/556421622.db2.gz JDYLOOBSIMBIJG-YADHBBJMSA-N 0 0 437.540 2.545 50 0 IFAARN COc1cc(CO[C@@H]2CN(C(=O)c3ccccc3)CC(=O)N(C(C)C)C2)cc(OC)c1 ZINC000014533163 556421830 /nfs/dbraw/zinc/42/18/30/556421830.db2.gz ZDXOWBIUZFFQCD-JOCHJYFZSA-N 0 0 426.513 2.982 50 0 IFAARN C[C@H](NC(=O)c1nn(CCO)c2c1CN(Cc1cccc3c1OCO3)CC2)c1ccccc1 ZINC000014534185 556422615 /nfs/dbraw/zinc/42/26/15/556422615.db2.gz QFIXSJQYBJDRRF-KRWDZBQOSA-N 0 0 448.523 2.653 50 0 IFAARN COc1cc([C@H]2c3c(C)nn(C)c3NC(=O)[C@@H]2NC(=O)c2ccco2)ccc1OC(F)F ZINC000012982019 556424934 /nfs/dbraw/zinc/42/49/34/556424934.db2.gz ZVVLVAPDIQHAKQ-DLBZAZTESA-N 0 0 446.410 2.814 50 0 IFAARN Cc1nc(CN2C[C@@H](OCc3ccccn3)CN(C(=O)[C@@H]3CC=CCC3)CC2=O)cs1 ZINC000014541666 556425856 /nfs/dbraw/zinc/42/58/56/556425856.db2.gz FBJDRBFETQRYLF-WIYYLYMNSA-N 0 0 440.569 2.959 50 0 IFAARN COc1ccc(CC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1OC ZINC000012986207 556426814 /nfs/dbraw/zinc/42/68/14/556426814.db2.gz GQVSZTNPVPDJRT-UHFFFAOYSA-N 0 0 431.920 2.683 50 0 IFAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)COc1ccccc1C(N)=O ZINC000012987025 556427320 /nfs/dbraw/zinc/42/73/20/556427320.db2.gz KWPLMTYOUNPWDA-UHFFFAOYSA-N 0 0 443.809 2.934 50 0 IFAARN COc1cc(COC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)ccc1OC(F)F ZINC000012988704 556427904 /nfs/dbraw/zinc/42/79/04/556427904.db2.gz RNQRIPLLQCDTAL-QFIPXVFZSA-N 0 0 446.406 2.949 50 0 IFAARN C[C@@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012989266 556428207 /nfs/dbraw/zinc/42/82/07/556428207.db2.gz XYJMLUDYELCRAE-INIZCTEOSA-N 0 0 431.533 2.648 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)c1ccccc1 ZINC000032843440 556428753 /nfs/dbraw/zinc/42/87/53/556428753.db2.gz DOPGNSDRLDKRBY-GOSISDBHSA-N 0 0 427.302 2.818 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOc3ccc(Cl)cc3)CC2)cc1 ZINC000012993387 556429221 /nfs/dbraw/zinc/42/92/21/556429221.db2.gz AULKLWSDUNSSST-UHFFFAOYSA-N 0 0 437.949 2.743 50 0 IFAARN CCOC(=O)c1c(C)oc2ncn(CC(=O)N(C)Cc3c(F)cccc3Cl)c(=O)c21 ZINC000012995440 556430762 /nfs/dbraw/zinc/43/07/62/556430762.db2.gz HXBOVVALEPNFFV-UHFFFAOYSA-N 0 0 435.839 2.926 50 0 IFAARN COc1cccc(-n2cnnc2SCC(=O)NCC2(N3CCOCC3)CCCCC2)c1 ZINC000014640508 556430751 /nfs/dbraw/zinc/43/07/51/556430751.db2.gz OAHIDJZHHCWFGO-UHFFFAOYSA-N 0 0 445.589 2.519 50 0 IFAARN Nc1nc(COC(=O)[C@H]2CCCN2C(=O)c2ccco2)nc(Nc2ccc(Cl)cc2)n1 ZINC000032854390 556432307 /nfs/dbraw/zinc/43/23/07/556432307.db2.gz OOXZOIMGFSMSIN-CQSZACIVSA-N 0 0 442.863 2.792 50 0 IFAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000014688341 556432672 /nfs/dbraw/zinc/43/26/72/556432672.db2.gz JVVOCWWYACTMPQ-UHFFFAOYSA-N 0 0 436.549 2.793 50 0 IFAARN CCCc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 ZINC000027817650 556433246 /nfs/dbraw/zinc/43/32/46/556433246.db2.gz ZWKXKCZWQCWYDJ-NSHDSACASA-N 0 0 449.396 2.914 50 0 IFAARN O=C(CSc1nnnn1C1CCCCC1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000027811761 556433434 /nfs/dbraw/zinc/43/34/34/556433434.db2.gz KEBBLKMVXCGIKU-UHFFFAOYSA-N 0 0 432.506 2.780 50 0 IFAARN CCCCN(C(=O)COC(=O)c1ccc2c3c(cccc31)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000014703022 556433828 /nfs/dbraw/zinc/43/38/28/556433828.db2.gz BAALADWPQJUFSR-GOSISDBHSA-N 0 0 429.538 2.911 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccc(C)c(F)c3)n2N)c(OC)c1 ZINC000032858332 556434856 /nfs/dbraw/zinc/43/48/56/556434856.db2.gz NLMYOCWQAMJVKH-UHFFFAOYSA-N 0 0 431.493 2.532 50 0 IFAARN C[C@H](NC(=O)CSc1nnnn1CCc1cccs1)c1ccc2c(c1)OCCO2 ZINC000032858480 556434878 /nfs/dbraw/zinc/43/48/78/556434878.db2.gz JVEZSPXBEIICPY-ZDUSSCGKSA-N 0 0 431.543 2.718 50 0 IFAARN O=C(c1cc(S(=O)(=O)Oc2ccc(I)cc2)c[nH]1)N1CCCC1 ZINC000027943903 556436028 /nfs/dbraw/zinc/43/60/28/556436028.db2.gz OPAPROSLVSIOCQ-UHFFFAOYSA-N 0 0 446.266 2.623 50 0 IFAARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000013013173 556436232 /nfs/dbraw/zinc/43/62/32/556436232.db2.gz VNPKOTMPSQAWSF-GOSISDBHSA-N 0 0 445.229 2.822 50 0 IFAARN Cc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)N3C2)cc1C ZINC000014741478 556438835 /nfs/dbraw/zinc/43/88/35/556438835.db2.gz CKEARZKKHQSLHS-UFYCRDLUSA-N 0 0 440.931 2.789 50 0 IFAARN O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 ZINC000014743194 556439649 /nfs/dbraw/zinc/43/96/49/556439649.db2.gz BYPJDEMHOBDYQU-KSZLIROESA-N 0 0 446.429 2.538 50 0 IFAARN CCOC(=O)c1nn(CCCc2cccnc2)c2c1CN(C(=O)c1cncs1)CC2 ZINC000014743803 556439950 /nfs/dbraw/zinc/43/99/50/556439950.db2.gz NZNVQUVAEPLMTR-UHFFFAOYSA-N 0 0 425.514 2.743 50 0 IFAARN CC(C)(C)C(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000013022942 556440008 /nfs/dbraw/zinc/44/00/08/556440008.db2.gz YLHLQGVSTUWQIY-UHFFFAOYSA-N 0 0 443.569 2.959 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1 ZINC000013031591 556442466 /nfs/dbraw/zinc/44/24/66/556442466.db2.gz KHDNHXRVTLMNDV-QGZVFWFLSA-N 0 0 426.542 2.607 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)c3cccs3)CC2)cc1 ZINC000013037921 556443527 /nfs/dbraw/zinc/44/35/27/556443527.db2.gz RMCYMCVLRLMSHS-KRWDZBQOSA-N 0 0 435.615 2.884 50 0 IFAARN CCn1c(C)cc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1C ZINC000013037886 556443550 /nfs/dbraw/zinc/44/35/50/556443550.db2.gz ZADIYCONDCMOTR-UHFFFAOYSA-N 0 0 432.542 2.952 50 0 IFAARN CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000013038218 556443818 /nfs/dbraw/zinc/44/38/18/556443818.db2.gz SIPTYDACBDOCPP-UHFFFAOYSA-N 0 0 442.493 2.674 50 0 IFAARN O=C([C@@H]1CCOC1)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 ZINC000014752422 556444070 /nfs/dbraw/zinc/44/40/70/556444070.db2.gz NBAWQCXCUHNOIL-GGAORHGYSA-N 0 0 440.515 2.661 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1C ZINC000013038589 556444518 /nfs/dbraw/zinc/44/45/18/556444518.db2.gz CWAYAKNYTNBGLJ-UHFFFAOYSA-N 0 0 442.537 2.930 50 0 IFAARN C[C@@H]1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2S1 ZINC000013038550 556444529 /nfs/dbraw/zinc/44/45/29/556444529.db2.gz ULDGJIUMFMZBER-GOSISDBHSA-N 0 0 445.610 2.910 50 0 IFAARN O=C(c1ccc2ccccc2c1)N1CCN2C(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]2C1 ZINC000014755908 556444682 /nfs/dbraw/zinc/44/46/82/556444682.db2.gz VIUUNYLDUIZYPV-FCHUYYIVSA-N 0 0 447.922 2.887 50 0 IFAARN Cc1cnc(C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)CC2)cn1 ZINC000013040082 556445939 /nfs/dbraw/zinc/44/59/39/556445939.db2.gz REKTXKLHYZVVOY-UHFFFAOYSA-N 0 0 430.574 2.846 50 0 IFAARN O=C(COC(=O)c1cc(Cl)ccc1O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000032859672 556446310 /nfs/dbraw/zinc/44/63/10/556446310.db2.gz HLFRGSUHYLPAPQ-OAHLLOKOSA-N 0 0 429.922 2.551 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)cc1 ZINC000013040717 556446458 /nfs/dbraw/zinc/44/64/58/556446458.db2.gz DYPKFMRHPKHXEX-QGZVFWFLSA-N 0 0 429.542 2.531 50 0 IFAARN C[C@@H]1CN(Cc2cccc(CNC(=O)CCN3c4ccccc4O[C@H](C)C3=O)c2)CCO1 ZINC000072273226 556446636 /nfs/dbraw/zinc/44/66/36/556446636.db2.gz YCQBONVKNRSCMH-RTBURBONSA-N 0 0 437.540 2.728 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccco3)cc2)C1 ZINC000013057082 556449106 /nfs/dbraw/zinc/44/91/06/556449106.db2.gz ACIMZKZQJAMAGT-HZPDHXFCSA-N 0 0 433.530 2.705 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccco3)cc2)C1 ZINC000013057087 556449124 /nfs/dbraw/zinc/44/91/24/556449124.db2.gz ACIMZKZQJAMAGT-IYBDPMFKSA-N 0 0 433.530 2.705 50 0 IFAARN CCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000014846776 556449763 /nfs/dbraw/zinc/44/97/63/556449763.db2.gz WKSDRNVVTSKLPX-UHFFFAOYSA-N 0 0 431.436 2.711 50 0 IFAARN COc1ccc(C)cc1CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000014850132 556450119 /nfs/dbraw/zinc/45/01/19/556450119.db2.gz CZHOJHOLNFRNCN-CALCHBBNSA-N 0 0 432.542 2.983 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC(=O)N2CCc3ccccc32)c1 ZINC000032865794 556451110 /nfs/dbraw/zinc/45/11/10/556451110.db2.gz BFEZEGZNIQDBFW-UHFFFAOYSA-N 0 0 449.960 2.690 50 0 IFAARN NC(=O)C1CCN(Cn2nc(-c3ccc4c(c3)OCO4)n(-c3ccccc3)c2=S)CC1 ZINC000013063486 556452093 /nfs/dbraw/zinc/45/20/93/556452093.db2.gz RKRDTCKPIBEJNQ-UHFFFAOYSA-N 0 0 437.525 2.954 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000014888371 556455880 /nfs/dbraw/zinc/45/58/80/556455880.db2.gz NOSKEQHIUQPOJW-UHFFFAOYSA-N 0 0 448.476 2.706 50 0 IFAARN COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000014889526 556456148 /nfs/dbraw/zinc/45/61/48/556456148.db2.gz INOUOTDWOABZNP-UHFFFAOYSA-N 0 0 448.903 2.863 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000014899921 556456529 /nfs/dbraw/zinc/45/65/29/556456529.db2.gz RFLNMXXZMUDDDL-UHFFFAOYSA-N 0 0 443.433 2.864 50 0 IFAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnnn1-c1ccc(Cl)cc1 ZINC000013097048 556457598 /nfs/dbraw/zinc/45/75/98/556457598.db2.gz WTWNQXQUHVGDMV-UHFFFAOYSA-N 0 0 434.884 2.644 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccn2)CC1 ZINC000028645535 556458005 /nfs/dbraw/zinc/45/80/05/556458005.db2.gz XTHYBPLMMMIITD-KRWDZBQOSA-N 0 0 436.343 2.887 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCOc2ccccc21 ZINC000028665818 556458465 /nfs/dbraw/zinc/45/84/65/556458465.db2.gz PETXRNWBCCPLHR-MRXNPFEDSA-N 0 0 444.431 2.894 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CNC(=O)C1CCOCC1)CC2 ZINC000072277416 556458500 /nfs/dbraw/zinc/45/85/00/556458500.db2.gz GRCSLEQFBRVRPQ-QFIPXVFZSA-N 0 0 444.553 2.782 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)NCCC1=CCCCC1 ZINC000028721672 556459412 /nfs/dbraw/zinc/45/94/12/556459412.db2.gz IHBJXWRCUIODOG-DEOSSOPVSA-N 0 0 435.572 2.969 50 0 IFAARN Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)[C@@H]2c2cccs2)cc1 ZINC000013098798 556459358 /nfs/dbraw/zinc/45/93/58/556459358.db2.gz LBZQMGCQGBIHNC-SCWSEQNSSA-N 0 0 432.567 2.844 50 0 IFAARN Cc1noc(C)c1COc1ccc(CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 ZINC000013100068 556459867 /nfs/dbraw/zinc/45/98/67/556459867.db2.gz AIOHILQBQMFCMB-DEOSSOPVSA-N 0 0 448.479 2.911 50 0 IFAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O ZINC000013101745 556460748 /nfs/dbraw/zinc/46/07/48/556460748.db2.gz MLQCRLJYCBAWAR-HXUWFJFHSA-N 0 0 449.294 2.786 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 ZINC000013108285 556462041 /nfs/dbraw/zinc/46/20/41/556462041.db2.gz OUNOWNHWBWMOGU-MRXNPFEDSA-N 0 0 432.542 2.908 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000013108684 556462250 /nfs/dbraw/zinc/46/22/50/556462250.db2.gz YMEKESZIBOEKSY-UHFFFAOYSA-N 0 0 445.566 2.964 50 0 IFAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000013109547 556462960 /nfs/dbraw/zinc/46/29/60/556462960.db2.gz RUXZJOVKTLIGTK-UONOGXRCSA-N 0 0 426.344 2.878 50 0 IFAARN NC(=O)c1nn(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(=O)c2ccccc21 ZINC000013109575 556463262 /nfs/dbraw/zinc/46/32/62/556463262.db2.gz SXOBSERGAINJKW-UHFFFAOYSA-N 0 0 447.520 2.511 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(C2CC2)n1C ZINC000013109772 556463323 /nfs/dbraw/zinc/46/33/23/556463323.db2.gz XQPHZNGKTARAGV-UHFFFAOYSA-N 0 0 449.602 2.906 50 0 IFAARN O=CN1CCN(Cc2ccc(OCC[C@H]3CCCCN3C(=O)c3cncs3)cc2)CC1 ZINC000014962678 556464676 /nfs/dbraw/zinc/46/46/76/556464676.db2.gz FIPAACYQTRSARG-HXUWFJFHSA-N 0 0 442.585 2.881 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c(OC)c1 ZINC000029067736 556466292 /nfs/dbraw/zinc/46/62/92/556466292.db2.gz VHZMRKBOVCRCCD-KBXCAEBGSA-N 0 0 436.505 2.873 50 0 IFAARN CCn1nnc2cc(C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)ccc21 ZINC000013114310 556466711 /nfs/dbraw/zinc/46/67/11/556466711.db2.gz NGZGDWGKUHDEIW-UHFFFAOYSA-N 0 0 425.470 2.775 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCC3=CCCCC3)CC2)cc1OC ZINC000013114496 556466809 /nfs/dbraw/zinc/46/68/09/556466809.db2.gz NGRCDNANBIJYQJ-UHFFFAOYSA-N 0 0 437.562 2.610 50 0 IFAARN Cn1cc(S(=O)(=O)NCc2ccco2)cc1C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000029110342 556467445 /nfs/dbraw/zinc/46/74/45/556467445.db2.gz DXMHUQKSKMTLBB-KRWDZBQOSA-N 0 0 427.526 2.947 50 0 IFAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000013117255 556469562 /nfs/dbraw/zinc/46/95/62/556469562.db2.gz ORMCEUQZDIQIJP-IRLDBZIGSA-N 0 0 434.500 2.999 50 0 IFAARN Cc1oc(-c2ccccc2)nc1CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000029193110 556469568 /nfs/dbraw/zinc/46/95/68/556469568.db2.gz ARBMGMXKNALNAS-UHFFFAOYSA-N 0 0 449.536 2.606 50 0 IFAARN COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c(OC)c1 ZINC000029267331 556471337 /nfs/dbraw/zinc/47/13/37/556471337.db2.gz OVEQTNAECCBLBQ-UHFFFAOYSA-N 0 0 426.922 2.880 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 ZINC000013119729 556471718 /nfs/dbraw/zinc/47/17/18/556471718.db2.gz DZVDQSAVIOTBKH-UHFFFAOYSA-N 0 0 448.504 2.929 50 0 IFAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)CCNC(C)=O)C3)c1 ZINC000014984265 556472064 /nfs/dbraw/zinc/47/20/64/556472064.db2.gz DYAAWWOXVSNMCN-QGZVFWFLSA-N 0 0 432.904 2.970 50 0 IFAARN COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c(Cl)c1OC ZINC000014987738 556473253 /nfs/dbraw/zinc/47/32/53/556473253.db2.gz KFUYKECETQSVBD-AWEZNQCLSA-N 0 0 435.956 2.840 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1CCCO)NCCc1c[nH]c2ccccc12 ZINC000013121007 556473613 /nfs/dbraw/zinc/47/36/13/556473613.db2.gz SHIXKUAEJAAHRM-UHFFFAOYSA-N 0 0 436.537 2.711 50 0 IFAARN O=C(CSc1nnnn1-c1cccc(F)c1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000029446548 556475354 /nfs/dbraw/zinc/47/53/54/556475354.db2.gz DRQADRMJYXKVTI-UHFFFAOYSA-N 0 0 440.504 2.771 50 0 IFAARN CCCn1nnnc1CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 ZINC000013127813 556476353 /nfs/dbraw/zinc/47/63/53/556476353.db2.gz WUHLLGRQXIAXCV-UHFFFAOYSA-N 0 0 449.562 2.600 50 0 IFAARN O=C(NCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000013127870 556476380 /nfs/dbraw/zinc/47/63/80/556476380.db2.gz VBGUXTVILJAYNN-WBVHZDCISA-N 0 0 441.429 2.745 50 0 IFAARN O=C(NCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000013127868 556476453 /nfs/dbraw/zinc/47/64/53/556476453.db2.gz VBGUXTVILJAYNN-RDJZCZTQSA-N 0 0 441.429 2.745 50 0 IFAARN CN(Cc1ccco1)C(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1 ZINC000013127927 556476785 /nfs/dbraw/zinc/47/67/85/556476785.db2.gz ZJQYGLMPRHJXGK-UHFFFAOYSA-N 0 0 427.530 2.507 50 0 IFAARN Cc1cc(=O)c(C(=O)NC2CC2)c(Cc2cccc(F)c2)n1CCCN1CCOCC1 ZINC000014995095 556477203 /nfs/dbraw/zinc/47/72/03/556477203.db2.gz PLXUISQDFIHZMG-UHFFFAOYSA-N 0 0 427.520 2.501 50 0 IFAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)Cn2cncn2)C3)c1 ZINC000014995993 556478037 /nfs/dbraw/zinc/47/80/37/556478037.db2.gz WCRUKGLJMJPOSL-INIZCTEOSA-N 0 0 428.876 2.736 50 0 IFAARN COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000029597727 556478358 /nfs/dbraw/zinc/47/83/58/556478358.db2.gz NQNDMFYMSMPCJL-SFHVURJKSA-N 0 0 439.512 2.512 50 0 IFAARN COc1ccc2cc(CNC(=O)NCCNS(=O)(=O)c3ccc(C)cc3)ccc2c1 ZINC000029724924 556480569 /nfs/dbraw/zinc/48/05/69/556480569.db2.gz OGAZKBBPUBNEIZ-UHFFFAOYSA-N 0 0 427.526 2.935 50 0 IFAARN COc1ccc([C@H](CNC(=O)NCCc2cccc(F)c2)N2CCOCC2)cc1OC ZINC000029723987 556480578 /nfs/dbraw/zinc/48/05/78/556480578.db2.gz CVUUMRGXKUZZRU-FQEVSTJZSA-N 0 0 431.508 2.758 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(Br)o3)CC2)cc1 ZINC000032873634 556480959 /nfs/dbraw/zinc/48/09/59/556480959.db2.gz KBSUDTYADCPMAA-UHFFFAOYSA-N 0 0 427.320 2.934 50 0 IFAARN COc1ccc(Cc2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)n2N)cc1OC ZINC000013133903 556481773 /nfs/dbraw/zinc/48/17/73/556481773.db2.gz KJVUKYFHZKNUFJ-IJEWVQPXSA-N 0 0 433.578 2.633 50 0 IFAARN COc1ccc(Cc2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)n2N)cc1OC ZINC000013133905 556481808 /nfs/dbraw/zinc/48/18/08/556481808.db2.gz KJVUKYFHZKNUFJ-OFQRWUPVSA-N 0 0 433.578 2.633 50 0 IFAARN CSCc1c2ccccc2oc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013134642 556482635 /nfs/dbraw/zinc/48/26/35/556482635.db2.gz AJIXZMWJTIGEFZ-UHFFFAOYSA-N 0 0 434.495 2.739 50 0 IFAARN O=C(NCc1ccccc1)N1CCN(C(=O)c2cccc(I)c2)CC1 ZINC000032876137 556483213 /nfs/dbraw/zinc/48/32/13/556483213.db2.gz QMHQRSWYUCFNPY-UHFFFAOYSA-N 0 0 449.292 2.959 50 0 IFAARN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccncc3)C2=O)cc1OC ZINC000013137220 556484113 /nfs/dbraw/zinc/48/41/13/556484113.db2.gz HSJLWTUVANXLNE-AQTBWJFISA-N 0 0 427.482 2.955 50 0 IFAARN Cc1c(NC(=O)[C@H](C)Sc2nnc(C(F)(F)F)n2C)c(=O)n(-c2ccccc2)n1C ZINC000013137425 556484387 /nfs/dbraw/zinc/48/43/87/556484387.db2.gz ZALUCYSODGAXAT-NSHDSACASA-N 0 0 440.451 2.751 50 0 IFAARN COCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000013137749 556484440 /nfs/dbraw/zinc/48/44/40/556484440.db2.gz ZDAXEPPOQBDPLT-UHFFFAOYSA-N 0 0 427.482 2.545 50 0 IFAARN COCCn1nc(C)c(CNC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)c1C ZINC000072289374 556484847 /nfs/dbraw/zinc/48/48/47/556484847.db2.gz JHMVSICGBPZPTN-UHFFFAOYSA-N 0 0 442.560 2.825 50 0 IFAARN O=C(c1cccc2ccccc21)N1CCN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)CC1 ZINC000029886826 556485592 /nfs/dbraw/zinc/48/55/92/556485592.db2.gz AYCWUPSBBNPOIN-HXUWFJFHSA-N 0 0 429.524 2.831 50 0 IFAARN CCOC(=O)c1[nH]c(CSc2nnnn2-c2ccc(OC)cc2)c(C(=O)OCC)c1C ZINC000013141290 556486638 /nfs/dbraw/zinc/48/66/38/556486638.db2.gz DRTMVHZCBLECEZ-UHFFFAOYSA-N 0 0 445.501 2.953 50 0 IFAARN CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000015019297 556487803 /nfs/dbraw/zinc/48/78/03/556487803.db2.gz PNIOLEBJRSSGDO-UHFFFAOYSA-N 0 0 425.942 2.523 50 0 IFAARN Cn1c(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)nc2n(C)c1=O ZINC000029980231 556487984 /nfs/dbraw/zinc/48/79/84/556487984.db2.gz BWQBIUCGKLDULX-UHFFFAOYSA-N 0 0 427.892 2.528 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Oc1ccc2ccc(=O)oc2c1 ZINC000015042727 556489758 /nfs/dbraw/zinc/48/97/58/556489758.db2.gz MBEWJRKPODLTOB-CQSZACIVSA-N 0 0 430.482 2.758 50 0 IFAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000030031754 556489903 /nfs/dbraw/zinc/48/99/03/556489903.db2.gz HUVAEWIGQFXHEL-UHFFFAOYSA-N 0 0 425.514 2.887 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)c2ccc(O)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000013149488 556490928 /nfs/dbraw/zinc/49/09/28/556490928.db2.gz ZJVANEDVLSPFSZ-UHFFFAOYSA-N 0 0 432.498 2.671 50 0 IFAARN COc1cccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000013149454 556490948 /nfs/dbraw/zinc/49/09/48/556490948.db2.gz KXAKUBYTJKCMCJ-UHFFFAOYSA-N 0 0 446.525 2.974 50 0 IFAARN CSCC[C@H](C(=O)OCC(=O)N[C@@H]1CCCC[C@@H]1C)N1C(=O)c2ccccc2C1=O ZINC000013149598 556491262 /nfs/dbraw/zinc/49/12/62/556491262.db2.gz CBIUMCNXKYONIF-BMGDILEWSA-N 0 0 432.542 2.642 50 0 IFAARN COCC(=O)N1CCC(Oc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000015066307 556492695 /nfs/dbraw/zinc/49/26/95/556492695.db2.gz FNHHVTFWHWSZJT-UHFFFAOYSA-N 0 0 437.540 2.665 50 0 IFAARN COc1cccc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@H]2CCCO2)c1 ZINC000015065886 556492743 /nfs/dbraw/zinc/49/27/43/556492743.db2.gz FYFYMFHIPNOGBO-OAQYLSRUSA-N 0 0 433.574 2.886 50 0 IFAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000013163267 556493259 /nfs/dbraw/zinc/49/32/59/556493259.db2.gz JNBFAKBCQPVQSZ-VWLOTQADSA-N 0 0 431.492 2.952 50 0 IFAARN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C(=O)c3cc(C)n(C)n3)CC2)c1 ZINC000015068601 556494195 /nfs/dbraw/zinc/49/41/95/556494195.db2.gz KNAFSURDHQGPBU-UHFFFAOYSA-N 0 0 426.517 2.657 50 0 IFAARN CC(=O)N1CCC(C(=O)N2CCN(CCOc3ccccc3)CC2)(c2ccccc2)CC1 ZINC000032701263 556495722 /nfs/dbraw/zinc/49/57/22/556495722.db2.gz HPWMRQDGATUKLH-UHFFFAOYSA-N 0 0 435.568 2.790 50 0 IFAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000013164947 556497652 /nfs/dbraw/zinc/49/76/52/556497652.db2.gz IWYSFFGPXBKZGY-CHWSQXEVSA-N 0 0 445.570 2.545 50 0 IFAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)C2CCN(C(C)=O)CC2)C1 ZINC000015075400 556499139 /nfs/dbraw/zinc/49/91/39/556499139.db2.gz DVBKWRIDWWUCFI-QHCPKHFHSA-N 0 0 436.499 2.938 50 0 IFAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000030693256 556502396 /nfs/dbraw/zinc/50/23/96/556502396.db2.gz YIYMZRRFRQQVLJ-KRWDZBQOSA-N 0 0 431.533 2.892 50 0 IFAARN COc1cc([C@H]2O[C@@H](C)Cn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000015106195 556503937 /nfs/dbraw/zinc/50/39/37/556503937.db2.gz PQMKEIHMJPKBMK-LFVRLGFBSA-N 0 0 447.491 2.928 50 0 IFAARN O=c1c(Cl)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000015129911 556505604 /nfs/dbraw/zinc/50/56/04/556505604.db2.gz RXBNNNOSJCULBL-UHFFFAOYSA-N 0 0 444.944 2.538 50 0 IFAARN CSCC[C@@H](C(=O)NCCn1c(C)nc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000015135859 556505749 /nfs/dbraw/zinc/50/57/49/556505749.db2.gz YXFRDCKUSKLJOM-FQEVSTJZSA-N 0 0 436.537 2.879 50 0 IFAARN COc1ccc(C(O)=C2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013427357 556505913 /nfs/dbraw/zinc/50/59/13/556505913.db2.gz PRTCGQRTMLEBJQ-FCEWJHQRSA-N 0 0 438.358 2.528 50 0 IFAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2ccccn21)c1cccs1 ZINC000032716838 556506197 /nfs/dbraw/zinc/50/61/97/556506197.db2.gz NUEOWLSCGJCUDY-GOSISDBHSA-N 0 0 444.520 2.930 50 0 IFAARN O=C(Cn1cnc2ccccc2c1=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000032716937 556506426 /nfs/dbraw/zinc/50/64/26/556506426.db2.gz XBRAFHMIAUECEE-UHFFFAOYSA-N 0 0 443.301 2.634 50 0 IFAARN CCOc1ccc(CCNS(=O)(=O)c2ccc([C@@H]3CNC(=O)C3)cc2)cc1OCC ZINC000030836031 556507430 /nfs/dbraw/zinc/50/74/30/556507430.db2.gz CZQMZNKVQWBIJA-SFHVURJKSA-N 0 0 432.542 2.609 50 0 IFAARN O=C(CCNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)N1CCCC1 ZINC000032879898 556507636 /nfs/dbraw/zinc/50/76/36/556507636.db2.gz SFWHUFNYYPPOIN-UHFFFAOYSA-N 0 0 425.451 2.686 50 0 IFAARN COc1cc(NC(=O)COC(=O)c2cc(Br)ccc2O)cc(OC)c1OC ZINC000015181034 556508495 /nfs/dbraw/zinc/50/84/95/556508495.db2.gz GAFCAICOQMIVKT-UHFFFAOYSA-N 0 0 440.246 2.976 50 0 IFAARN CCCCN1c2ccccc2/C(=c2/sc3nc(-c4ccccc4OC)nn3c2=O)C1=O ZINC000013511420 556510200 /nfs/dbraw/zinc/51/02/00/556510200.db2.gz MQVREPBNTHIATA-HNENSFHCSA-N 0 0 432.505 2.891 50 0 IFAARN O=C(Cn1nc(S(=O)(=O)c2ccc(Cl)cc2)ccc1=O)NCCC1=CCCCC1 ZINC000064943236 556512070 /nfs/dbraw/zinc/51/20/70/556512070.db2.gz KQODEMZERQLXES-UHFFFAOYSA-N 0 0 435.933 2.736 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)CC2=O)cc1 ZINC000013555695 556516457 /nfs/dbraw/zinc/51/64/57/556516457.db2.gz OCXWVYMCAVPLDJ-CECAUBDESA-N 0 0 435.524 2.747 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000013567069 556520602 /nfs/dbraw/zinc/52/06/02/556520602.db2.gz RUOPTHMBPADHHS-UHFFFAOYSA-N 0 0 442.896 2.826 50 0 IFAARN CC(C)Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ncccc2c1=O ZINC000032893326 556521047 /nfs/dbraw/zinc/52/10/47/556521047.db2.gz UWAYJYZAOZGFKC-UHFFFAOYSA-N 0 0 426.498 2.585 50 0 IFAARN O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCN([C@H]2CCCCNC2=O)CC1 ZINC000072297830 556522867 /nfs/dbraw/zinc/52/28/67/556522867.db2.gz YHIBVJVQNHDANI-FQEVSTJZSA-N 0 0 433.512 2.559 50 0 IFAARN Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)CCc2cnn(C)c2)c2ccccc2)c(C)c1 ZINC000072297591 556522959 /nfs/dbraw/zinc/52/29/59/556522959.db2.gz FCLMIDDUCPFZCA-OAQYLSRUSA-N 0 0 440.569 2.806 50 0 IFAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCN(S(C)(=O)=O)CC3)ccc21 ZINC000015400948 556524550 /nfs/dbraw/zinc/52/45/50/556524550.db2.gz HDFRGHVTQDYXLO-INIZCTEOSA-N 0 0 428.558 2.719 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@@H]4c2ccc(OC)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000013574409 556524690 /nfs/dbraw/zinc/52/46/90/556524690.db2.gz YQSLNUVDCZUSKY-HSZRJFAPSA-N 0 0 447.491 2.843 50 0 IFAARN COc1ccc(C(=S)N2CCOCC2)cc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000013590264 556529100 /nfs/dbraw/zinc/52/91/00/556529100.db2.gz IKWYEIBWZCRATN-UHFFFAOYSA-N 0 0 447.509 2.948 50 0 IFAARN CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CC1 ZINC000013592820 556530631 /nfs/dbraw/zinc/53/06/31/556530631.db2.gz AHKJRMRFDJWBAM-YRNRMSPPSA-N 0 0 433.599 2.552 50 0 IFAARN Cc1cc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000013593453 556531317 /nfs/dbraw/zinc/53/13/17/556531317.db2.gz OHLQITNMDPWQLN-UHFFFAOYSA-N 0 0 442.493 2.645 50 0 IFAARN CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000032900168 556531876 /nfs/dbraw/zinc/53/18/76/556531876.db2.gz CABHVONIXPMTKU-OAHLLOKOSA-N 0 0 434.518 2.784 50 0 IFAARN NS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000032721400 556532387 /nfs/dbraw/zinc/53/23/87/556532387.db2.gz YEKYODZEDZNIHV-LJQANCHMSA-N 0 0 430.526 2.792 50 0 IFAARN COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC)cc3OC)[C@@H]4C2=O)c1 ZINC000013607562 556533277 /nfs/dbraw/zinc/53/32/77/556533277.db2.gz DAEUQYJMWHGXSC-LOCCHRAXSA-N 0 0 436.464 2.638 50 0 IFAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1)N1CCCCCC1 ZINC000013624015 556536567 /nfs/dbraw/zinc/53/65/67/556536567.db2.gz HDRRAQURQIVQIN-GOSISDBHSA-N 0 0 433.574 2.617 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)CCc3ccccc3)n2N)c(OC)c1 ZINC000032719420 556537299 /nfs/dbraw/zinc/53/72/99/556537299.db2.gz AJBNWQCRFSVMQS-OAHLLOKOSA-N 0 0 441.557 2.906 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000015616001 556538284 /nfs/dbraw/zinc/53/82/84/556538284.db2.gz GNSWHICAOXCKJI-UHFFFAOYSA-N 0 0 436.537 2.688 50 0 IFAARN COc1ccc(OC)c(NC(=O)C[C@]2(NC(C)=O)c3ccccc3N(C(C)C)C2=O)c1 ZINC000013629474 556538629 /nfs/dbraw/zinc/53/86/29/556538629.db2.gz ZANDFECUXZIWHO-QHCPKHFHSA-N 0 0 425.485 2.819 50 0 IFAARN C[C@H](OC(=O)COc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000015643887 556539927 /nfs/dbraw/zinc/53/99/27/556539927.db2.gz QLYZWTNNXWUTMB-JTQLQIEISA-N 0 0 447.296 2.590 50 0 IFAARN COCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(Br)cc2)cc1 ZINC000032903690 556540005 /nfs/dbraw/zinc/54/00/05/556540005.db2.gz HGJUDWXMSORMTC-UHFFFAOYSA-N 0 0 441.347 2.646 50 0 IFAARN O=C(CSCC(=O)N1CCOCC1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000032904202 556543678 /nfs/dbraw/zinc/54/36/78/556543678.db2.gz KCABFGYKNJMIOI-UHFFFAOYSA-N 0 0 428.514 2.861 50 0 IFAARN O=C(NCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000013647484 556544520 /nfs/dbraw/zinc/54/45/20/556544520.db2.gz QATLHPGPXZZZLD-NRFANRHFSA-N 0 0 427.460 2.920 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)cc1 ZINC000013659286 556546664 /nfs/dbraw/zinc/54/66/64/556546664.db2.gz DEQNVXPKBHMDLU-GUSDSWBTSA-N 0 0 443.506 2.565 50 0 IFAARN COc1ccccc1CNC(=O)CCc1nnc2c(=O)n(-c3cc(C)cc(C)c3)ccn12 ZINC000015736346 556547489 /nfs/dbraw/zinc/54/74/89/556547489.db2.gz NZQZRPPYVKJUBU-UHFFFAOYSA-N 0 0 431.496 2.755 50 0 IFAARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000032722562 556548072 /nfs/dbraw/zinc/54/80/72/556548072.db2.gz CXXYBTLTYRDFSY-HXUWFJFHSA-N 0 0 425.916 2.631 50 0 IFAARN COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000072305323 556550515 /nfs/dbraw/zinc/55/05/15/556550515.db2.gz XRHGCZWBMLBQQX-DOTOQJQBSA-N 0 0 431.489 2.507 50 0 IFAARN CCCNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000015803073 556553071 /nfs/dbraw/zinc/55/30/71/556553071.db2.gz URKJHMNMTRCFRD-INIZCTEOSA-N 0 0 430.526 2.505 50 0 IFAARN O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000015820340 556553677 /nfs/dbraw/zinc/55/36/77/556553677.db2.gz UBTRXIQGTHISFC-UHFFFAOYSA-N 0 0 431.464 2.902 50 0 IFAARN C[C@H](SCCN1C(=O)c2ccccc2S1(=O)=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000011097766 556559454 /nfs/dbraw/zinc/55/94/54/556559454.db2.gz FWIWRQIHHBENNT-NSHDSACASA-N 0 0 426.466 2.870 50 0 IFAARN CCS(=O)(=O)N1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000032907601 556560336 /nfs/dbraw/zinc/56/03/36/556560336.db2.gz TZSZOEOQZWMBLG-UHFFFAOYSA-N 0 0 442.541 2.985 50 0 IFAARN CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000015919207 556563389 /nfs/dbraw/zinc/56/33/89/556563389.db2.gz WPMFCNNFILWEAD-AWEZNQCLSA-N 0 0 434.389 2.558 50 0 IFAARN COc1ccc(NC(=O)CN2C[C@H](C)N(CC(=O)Nc3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000072308495 556564944 /nfs/dbraw/zinc/56/49/44/556564944.db2.gz SLASOKKMHYZFOP-HDICACEKSA-N 0 0 440.544 2.676 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000072308864 556568749 /nfs/dbraw/zinc/56/87/49/556568749.db2.gz ZQRSIVOMWSUHIK-KRWDZBQOSA-N 0 0 441.601 2.582 50 0 IFAARN COC(=O)/C(C)=C/CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000072309036 556568817 /nfs/dbraw/zinc/56/88/17/556568817.db2.gz OXXWBIKZUGAMOV-LFYBBSHMSA-N 0 0 440.871 2.784 50 0 IFAARN COc1cccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000015952795 556569079 /nfs/dbraw/zinc/56/90/79/556569079.db2.gz PZWLHOJVJVWZBZ-QGZVFWFLSA-N 0 0 427.478 2.631 50 0 IFAARN CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1 ZINC000072309578 556572535 /nfs/dbraw/zinc/57/25/35/556572535.db2.gz CUJYSULDAXASTP-UHFFFAOYSA-N 0 0 446.569 2.778 50 0 IFAARN CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000016000913 556572669 /nfs/dbraw/zinc/57/26/69/556572669.db2.gz QDIVEPMMRUVSFG-QGZVFWFLSA-N 0 0 437.496 2.931 50 0 IFAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1nc2ccc(Br)cn2n1 ZINC000072310548 556576436 /nfs/dbraw/zinc/57/64/36/556576436.db2.gz CFTWEIDJTBWLMY-UHFFFAOYSA-N 0 0 439.229 2.587 50 0 IFAARN Cc1ccccc1-n1nc(C(=O)OCCN2CCN(C(=O)C3CCC3)CC2)c2c1CCC2 ZINC000072310665 556576455 /nfs/dbraw/zinc/57/64/55/556576455.db2.gz MIWQZGXHEURATR-UHFFFAOYSA-N 0 0 436.556 2.771 50 0 IFAARN O=C1Nc2c(cccc2Cl)[C@]12[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000016033521 556577016 /nfs/dbraw/zinc/57/70/16/556577016.db2.gz JKBMCKGAWQMYHU-GEYWLOKFSA-N 0 0 425.847 2.910 50 0 IFAARN O=C(C1CCC(CNS(=O)(=O)c2ccccc2)CC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000016033739 556577037 /nfs/dbraw/zinc/57/70/37/556577037.db2.gz RDMNATBELOOMFB-SQKGIWRMSA-N 0 0 434.602 2.925 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)c1 ZINC000016044220 556578616 /nfs/dbraw/zinc/57/86/16/556578616.db2.gz UPGDCOANBRNGHS-UHFFFAOYSA-N 0 0 448.504 2.888 50 0 IFAARN O=C(CNc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000016045461 556579302 /nfs/dbraw/zinc/57/93/02/556579302.db2.gz GRLVVYSMMKRNDO-UHFFFAOYSA-N 0 0 442.585 2.622 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000016046792 556580302 /nfs/dbraw/zinc/58/03/02/556580302.db2.gz BZVXPKDPICNARS-AWEZNQCLSA-N 0 0 433.515 2.602 50 0 IFAARN COc1cc(Cl)c(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000011102183 556580657 /nfs/dbraw/zinc/58/06/57/556580657.db2.gz KYLWAFMUMRMBIH-HNNXBMFYSA-N 0 0 438.933 2.989 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccc(F)cc3F)c2C)c1 ZINC000071327137 556580679 /nfs/dbraw/zinc/58/06/79/556580679.db2.gz MFKIWAHJMIGEEE-UHFFFAOYSA-N 0 0 431.399 2.773 50 0 IFAARN Cc1c(NC(=O)COC(=O)Cc2coc3cc(O)ccc23)c(=O)n(-c2ccccc2)n1C ZINC000016050992 556581265 /nfs/dbraw/zinc/58/12/65/556581265.db2.gz GJJHDPZEFOLVDZ-UHFFFAOYSA-N 0 0 435.436 2.661 50 0 IFAARN CCCNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000016053355 556581455 /nfs/dbraw/zinc/58/14/55/556581455.db2.gz HBKVBTSXBVHPQK-OAHLLOKOSA-N 0 0 434.514 2.592 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1cccc(F)c1 ZINC000034867539 556584645 /nfs/dbraw/zinc/58/46/45/556584645.db2.gz BQLABXTYBALOCB-UHFFFAOYSA-N 0 0 427.501 2.924 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000034875430 556585275 /nfs/dbraw/zinc/58/52/75/556585275.db2.gz MELMLSPKOVMFBD-UHFFFAOYSA-N 0 0 428.341 2.938 50 0 IFAARN CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016162342 556586565 /nfs/dbraw/zinc/58/65/65/556586565.db2.gz NMFMHCZKFHVDPA-UHFFFAOYSA-N 0 0 432.542 2.850 50 0 IFAARN O=C(Cc1csc(Cc2ccccc2)n1)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000032969775 556588837 /nfs/dbraw/zinc/58/88/37/556588837.db2.gz UDVXZZXELMNPJD-UHFFFAOYSA-N 0 0 426.542 2.647 50 0 IFAARN COC(=O)CCCNC(=O)c1cc(Br)ccc1I ZINC000032971827 556590282 /nfs/dbraw/zinc/59/02/82/556590282.db2.gz UKENKPFRRJCSCI-UHFFFAOYSA-N 0 0 426.048 2.737 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl ZINC000016226895 556592813 /nfs/dbraw/zinc/59/28/13/556592813.db2.gz MHUZGIVEILCMNH-UHFFFAOYSA-N 0 0 430.935 2.934 50 0 IFAARN O=C(Nc1cccc(F)c1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2)c1=O ZINC000036085123 556592804 /nfs/dbraw/zinc/59/28/04/556592804.db2.gz CVGJIPJZCRACPY-UHFFFAOYSA-N 0 0 434.402 2.973 50 0 IFAARN COc1cc2c(cc1OC)n(CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)n1c2nc(=O)cc1C ZINC000004585718 556594458 /nfs/dbraw/zinc/59/44/58/556594458.db2.gz RSWNBAOCGLPMLX-JLJPHGGASA-N 0 0 426.517 2.916 50 0 IFAARN Cc1ccc(NC(=O)NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1C ZINC000016252467 556594676 /nfs/dbraw/zinc/59/46/76/556594676.db2.gz WGJNCFMCWROZEC-KRWDZBQOSA-N 0 0 427.482 2.998 50 0 IFAARN Cc1sc2[nH]c(CN3CCC(NS(C)(=O)=O)CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000011104599 556595024 /nfs/dbraw/zinc/59/50/24/556595024.db2.gz JJUCJYNWGMHNSK-UHFFFAOYSA-N 0 0 446.598 2.782 50 0 IFAARN COc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC ZINC000032973943 556595998 /nfs/dbraw/zinc/59/59/98/556595998.db2.gz OXQPLZMGUQZBHD-UHFFFAOYSA-N 0 0 432.542 2.811 50 0 IFAARN Cc1cc(SCC(=O)NCc2ccco2)nc(SCC(=O)NCc2ccco2)n1 ZINC000016283862 556597012 /nfs/dbraw/zinc/59/70/12/556597012.db2.gz KMFBGGCPXNFSSG-UHFFFAOYSA-N 0 0 432.527 2.788 50 0 IFAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000032983118 556601674 /nfs/dbraw/zinc/60/16/74/556601674.db2.gz BYIDJHBLFYCLLP-UHFFFAOYSA-N 0 0 435.358 2.522 50 0 IFAARN O=C(NCCCN1CCCC1=O)C1CCN(c2ncnc3c4cccnc4sc32)CC1 ZINC000032985944 556605582 /nfs/dbraw/zinc/60/55/82/556605582.db2.gz SDEOEEYZEDNMOR-UHFFFAOYSA-N 0 0 438.557 2.585 50 0 IFAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)NCCc3ccco3)s2)cc1 ZINC000032987038 556606735 /nfs/dbraw/zinc/60/67/35/556606735.db2.gz NIEBSBCSHMFENH-UHFFFAOYSA-N 0 0 432.527 2.984 50 0 IFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)NCc3ccccc3F)s2)cc1 ZINC000032987412 556607410 /nfs/dbraw/zinc/60/74/10/556607410.db2.gz LCGGXVYTKCSNPV-UHFFFAOYSA-N 0 0 430.461 2.771 50 0 IFAARN COc1ccc(CNC(=O)COCc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000032987437 556607693 /nfs/dbraw/zinc/60/76/93/556607693.db2.gz MIVZIYIEXUHKNP-UHFFFAOYSA-N 0 0 426.498 2.940 50 0 IFAARN Cc1ccc(NC(=O)c2nnc(CCCC(=O)N3CCC4(CC3)OCCO4)s2)cc1 ZINC000032995127 556609988 /nfs/dbraw/zinc/60/99/88/556609988.db2.gz RQZYYLKYTZYHDV-UHFFFAOYSA-N 0 0 430.530 2.787 50 0 IFAARN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)N2CCC3(CC2)OCCO3)s1 ZINC000032995364 556610461 /nfs/dbraw/zinc/61/04/61/556610461.db2.gz TYKDBJRMAAMTKI-UHFFFAOYSA-N 0 0 430.530 2.787 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3cccnc3)n1C)CCC2 ZINC000016551751 556614994 /nfs/dbraw/zinc/61/49/94/556614994.db2.gz ADXVSSKOSCDPRV-UHFFFAOYSA-N 0 0 429.527 2.945 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)N1CCOCC1 ZINC000016576613 556616300 /nfs/dbraw/zinc/61/63/00/556616300.db2.gz MUBIBGAWMMJTPR-UHFFFAOYSA-N 0 0 428.869 2.761 50 0 IFAARN COc1ccc(-n2nnnc2-c2cnc(N3[C@@H](C)COC[C@@H]3C)nc2C(F)(F)F)cc1 ZINC000016609660 556617357 /nfs/dbraw/zinc/61/73/57/556617357.db2.gz QXRBDLBKKRKMFF-RYUDHWBXSA-N 0 0 435.410 2.760 50 0 IFAARN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)C[C@H]1COc2ccccc2O1 ZINC000016628650 556618985 /nfs/dbraw/zinc/61/89/85/556618985.db2.gz VPEZAHJTIOATGH-HNNXBMFYSA-N 0 0 447.417 2.996 50 0 IFAARN Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 ZINC000039383617 556628483 /nfs/dbraw/zinc/62/84/83/556628483.db2.gz FSJWPPBYDFXAFO-UHFFFAOYSA-N 0 0 446.555 2.831 50 0 IFAARN COC(=O)Cc1sc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)nc1C ZINC000016699322 556629161 /nfs/dbraw/zinc/62/91/61/556629161.db2.gz OMQYUEXGKLTTLD-UHFFFAOYSA-N 0 0 430.511 2.648 50 0 IFAARN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)C(=O)C2 ZINC000016739998 556634305 /nfs/dbraw/zinc/63/43/05/556634305.db2.gz BYVPYJYHCMIHMK-AUUYWEPGSA-N 0 0 445.507 2.948 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N[C@H](C)c3cccnc3)c2=O)cc1 ZINC000097938468 556634989 /nfs/dbraw/zinc/63/49/89/556634989.db2.gz SLQZSKXHNSZJJI-QGZVFWFLSA-N 0 0 440.525 2.538 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000016777637 556640663 /nfs/dbraw/zinc/64/06/63/556640663.db2.gz AUMZERJPLKEDPV-UHFFFAOYSA-N 0 0 445.317 2.950 50 0 IFAARN COCc1nc(NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)n[nH]1 ZINC000409415118 556641613 /nfs/dbraw/zinc/64/16/13/556641613.db2.gz UDBVDRXWQZODHV-OAHLLOKOSA-N 0 0 428.493 2.517 50 0 IFAARN Cc1cccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)CC2=O)c1C ZINC000016795118 556643188 /nfs/dbraw/zinc/64/31/88/556643188.db2.gz PASKQPWYPAOYKY-IAGOWNOFSA-N 0 0 435.480 2.573 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)ccc21 ZINC000016811452 556644716 /nfs/dbraw/zinc/64/47/16/556644716.db2.gz SBXFESYFVAPMQM-AWEZNQCLSA-N 0 0 445.475 2.680 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719781 556644779 /nfs/dbraw/zinc/64/47/79/556644779.db2.gz OWCZFFQCECYKDA-LBPRGKRZSA-N 0 0 429.514 2.796 50 0 IFAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)NC[C@@H]2CCCO2)C[C@H](C)S3)cc1 ZINC000011726682 556647674 /nfs/dbraw/zinc/64/76/74/556647674.db2.gz YPAKBYBSPKASDV-BBRMVZONSA-N 0 0 447.582 2.665 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3)o2)cc1OC ZINC000011726737 556647965 /nfs/dbraw/zinc/64/79/65/556647965.db2.gz MAHXHCIELQRXGY-UHFFFAOYSA-N 0 0 428.470 2.748 50 0 IFAARN CC[C@H](C)N(C(=O)COC(=O)CSc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000011722576 556648440 /nfs/dbraw/zinc/64/84/40/556648440.db2.gz VXCKQVHAJUTZBZ-IRXDYDNUSA-N 0 0 427.588 2.753 50 0 IFAARN O=c1c2nnn(Cc3ccc(F)cc3)c2ncn1Cc1nc(-c2ccccc2Cl)no1 ZINC000038486755 556648858 /nfs/dbraw/zinc/64/88/58/556648858.db2.gz JAYJRJRDIMEUSC-UHFFFAOYSA-N 0 0 437.822 2.927 50 0 IFAARN C[C@H](OC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)C(=O)Nc1cccnc1Cl ZINC000016925591 556649388 /nfs/dbraw/zinc/64/93/88/556649388.db2.gz IXPZLMTVCJUUKL-AWEZNQCLSA-N 0 0 442.859 2.555 50 0 IFAARN O=C(COc1cccc(C(F)(F)F)c1)NCCCn1nc(-c2ccncc2)ccc1=O ZINC000011746956 556650066 /nfs/dbraw/zinc/65/00/66/556650066.db2.gz GBQHFQVSRJJQBW-UHFFFAOYSA-N 0 0 432.402 2.909 50 0 IFAARN Cc1nc2ccc(S(=O)(=O)NCCCn3nc(-c4ccncc4)ccc3=O)cc2s1 ZINC000011746725 556650154 /nfs/dbraw/zinc/65/01/54/556650154.db2.gz HHAPFULQBBESFC-UHFFFAOYSA-N 0 0 441.538 2.592 50 0 IFAARN COc1cccc(Nc2nc(N3CCN(CCO)CC3)nc3c2cnn3-c2ccccc2)c1 ZINC000016960504 556651186 /nfs/dbraw/zinc/65/11/86/556651186.db2.gz HLKDICSJYNAEHH-UHFFFAOYSA-N 0 0 445.527 2.682 50 0 IFAARN O=C(c1ccc(OC(F)(F)F)cc1)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000016964607 556651411 /nfs/dbraw/zinc/65/14/11/556651411.db2.gz DGFLOGKBMQLNEV-SFHVURJKSA-N 0 0 436.386 2.852 50 0 IFAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000011758448 556652970 /nfs/dbraw/zinc/65/29/70/556652970.db2.gz IGKWCZCLZMWJJQ-UHFFFAOYSA-N 0 0 434.481 2.772 50 0 IFAARN COc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000011758672 556653430 /nfs/dbraw/zinc/65/34/30/556653430.db2.gz OCLMGTKJIIQESE-UHFFFAOYSA-N 0 0 436.453 2.679 50 0 IFAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)NC2=NC(=O)CS2)cc1C ZINC000017043737 556654024 /nfs/dbraw/zinc/65/40/24/556654024.db2.gz ZCJOCVZEZQYURT-UHFFFAOYSA-N 0 0 438.534 2.840 50 0 IFAARN O=C(NCc1cccnc1)c1[nH]cnc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000033003857 556654496 /nfs/dbraw/zinc/65/44/96/556654496.db2.gz JRLZWBHRQIYTDE-UHFFFAOYSA-N 0 0 439.903 2.512 50 0 IFAARN C[C@@H](NC(=O)CSc1nnc(N2CCCC2)n1C1CC1)c1ccc2c(c1)OCCO2 ZINC000011780705 556655310 /nfs/dbraw/zinc/65/53/10/556655310.db2.gz ASWPLAQPZQAHPE-CQSZACIVSA-N 0 0 429.546 2.954 50 0 IFAARN COc1ccc(-c2nn(CN3CCC(C(=O)N4C[C@@H](C)O[C@@H](C)C4)CC3)c(=S)[nH]2)cc1 ZINC000032926837 556655735 /nfs/dbraw/zinc/65/57/35/556655735.db2.gz IRSGOVYBAGZZFB-IYBDPMFKSA-N 0 0 445.589 2.922 50 0 IFAARN NC(=O)c1ccc(NC(=O)CCCSc2ccc(NC(=O)c3ccco3)nn2)cc1 ZINC000011794453 556656579 /nfs/dbraw/zinc/65/65/79/556656579.db2.gz ZEFJEGDRZQOKRK-UHFFFAOYSA-N 0 0 425.470 2.932 50 0 IFAARN CS(=O)(=O)c1cccc(C(=O)OCc2cc3c(cc2Br)OCCO3)c1 ZINC000011836081 556659653 /nfs/dbraw/zinc/65/96/53/556659653.db2.gz NWRHYHHEKWLFDV-UHFFFAOYSA-N 0 0 427.272 2.981 50 0 IFAARN Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccccc1C(F)(F)F ZINC000011858095 556663269 /nfs/dbraw/zinc/66/32/69/556663269.db2.gz HFYFOLHAIXTXRK-UHFFFAOYSA-N 0 0 448.444 2.881 50 0 IFAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(OC(C)C)cc1 ZINC000011858290 556663632 /nfs/dbraw/zinc/66/36/32/556663632.db2.gz NTHHUIWKEJVCPJ-UHFFFAOYSA-N 0 0 438.527 2.650 50 0 IFAARN COc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCCN3CCOCC3)c2c1 ZINC000017099513 556664602 /nfs/dbraw/zinc/66/46/02/556664602.db2.gz LSEQRTGSJACWSX-UHFFFAOYSA-N 0 0 435.480 2.701 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC)cc3)CC2)cc1 ZINC000017100713 556665702 /nfs/dbraw/zinc/66/57/02/556665702.db2.gz HPUFQIANABSVSL-UHFFFAOYSA-N 0 0 436.599 2.897 50 0 IFAARN CCCn1c(SCC(=O)Nc2ccccc2)nnc1[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000017101627 556666069 /nfs/dbraw/zinc/66/60/69/556666069.db2.gz MVOUBALRVCJTLJ-HNNXBMFYSA-N 0 0 437.591 2.558 50 0 IFAARN CC(C)CCn1c2c(n3c(-c4ccc(Br)cc4)nnc13)n(C)c(=O)n(C)c2=O ZINC000017113189 556668107 /nfs/dbraw/zinc/66/81/07/556668107.db2.gz SZGRGFHNQMKYPM-UHFFFAOYSA-N 0 0 445.321 2.557 50 0 IFAARN COc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1OCc1c(C)noc1C ZINC000017114190 556668256 /nfs/dbraw/zinc/66/82/56/556668256.db2.gz BOLADMLPWDEPSM-UHFFFAOYSA-N 0 0 442.472 2.779 50 0 IFAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000011904514 556670335 /nfs/dbraw/zinc/67/03/35/556670335.db2.gz QAUFYJCFDFCOHX-UHFFFAOYSA-N 0 0 434.417 2.573 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1Cl ZINC000011904997 556670888 /nfs/dbraw/zinc/67/08/88/556670888.db2.gz WLMWMHPGOHBYRP-GFCCVEGCSA-N 0 0 428.919 2.762 50 0 IFAARN COc1ccc(C(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011913830 556672731 /nfs/dbraw/zinc/67/27/31/556672731.db2.gz IJWXYZWYOOVUIL-ZDUSSCGKSA-N 0 0 428.304 2.880 50 0 IFAARN O=C(COc1ccc(F)cc1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011914023 556673339 /nfs/dbraw/zinc/67/33/39/556673339.db2.gz ODDOMMVXVUMNHG-CYBMUJFWSA-N 0 0 446.294 2.776 50 0 IFAARN COc1ccc(CC(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011914263 556673654 /nfs/dbraw/zinc/67/36/54/556673654.db2.gz WHHZHMOVJRNCTP-CQSZACIVSA-N 0 0 442.331 2.809 50 0 IFAARN COc1cc(CCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc(OC)c1OC ZINC000032930455 556673960 /nfs/dbraw/zinc/67/39/60/556673960.db2.gz HPPWQGFAHRWUQC-IAGOWNOFSA-N 0 0 443.544 2.970 50 0 IFAARN O=C(CN1C(=O)N[C@H](c2ccccc2OC(F)(F)F)C1=O)Nc1ccc2c(c1)OCO2 ZINC000032932702 556675782 /nfs/dbraw/zinc/67/57/82/556675782.db2.gz JCOLBMTYORXIQK-MRXNPFEDSA-N 0 0 437.330 2.546 50 0 IFAARN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000032936926 556678762 /nfs/dbraw/zinc/67/87/62/556678762.db2.gz SMYBTPFTDQNIPY-KRWDZBQOSA-N 0 0 433.461 2.824 50 0 IFAARN COc1ccccc1CCNC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000033325371 556679268 /nfs/dbraw/zinc/67/92/68/556679268.db2.gz TUMHMJIHMZJFKR-MRXNPFEDSA-N 0 0 445.566 2.952 50 0 IFAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000011997529 556679367 /nfs/dbraw/zinc/67/93/67/556679367.db2.gz YPHMBCZTRRLWKM-UHFFFAOYSA-N 0 0 435.310 2.861 50 0 IFAARN COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000011998557 556679680 /nfs/dbraw/zinc/67/96/80/556679680.db2.gz OVOXTPHEEWZGMX-LJQANCHMSA-N 0 0 439.537 2.891 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1 ZINC000011999062 556679691 /nfs/dbraw/zinc/67/96/91/556679691.db2.gz TYCXZEJYNIYOFF-UHFFFAOYSA-N 0 0 440.459 2.909 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000033325482 556679828 /nfs/dbraw/zinc/67/98/28/556679828.db2.gz IIBYDCMTZBQTPS-AWEZNQCLSA-N 0 0 445.522 2.995 50 0 IFAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)c(Cl)c2)C1=O ZINC000012006075 556680504 /nfs/dbraw/zinc/68/05/04/556680504.db2.gz KZVOHINKRKNKNE-LLVKDONJSA-N 0 0 436.873 2.676 50 0 IFAARN COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000018148682 556684969 /nfs/dbraw/zinc/68/49/69/556684969.db2.gz OSHHXULSMJTMEH-GOSISDBHSA-N 0 0 444.329 2.912 50 0 IFAARN Cc1cc(C)cc(N(CCC(=O)N2CCNC(=O)C2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033019817 556685128 /nfs/dbraw/zinc/68/51/28/556685128.db2.gz ZKVOSULFYQEZCS-UHFFFAOYSA-N 0 0 449.960 2.501 50 0 IFAARN O=C(NC1CCCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021038 556685282 /nfs/dbraw/zinc/68/52/82/556685282.db2.gz AJTWKMVKWRVEAA-INIZCTEOSA-N 0 0 449.573 2.647 50 0 IFAARN O=C(NC1CCCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021036 556685299 /nfs/dbraw/zinc/68/52/99/556685299.db2.gz AJTWKMVKWRVEAA-MRXNPFEDSA-N 0 0 449.573 2.647 50 0 IFAARN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H](C)c1nc2ccccc2n1C(F)F ZINC000010640329 556686581 /nfs/dbraw/zinc/68/65/81/556686581.db2.gz UPSNVVZEOPJQCO-NSHDSACASA-N 0 0 442.474 2.921 50 0 IFAARN COc1ccc(CN2C(=O)C[C@@H](N3CCC(Nc4ccc5c(c4)OCO5)CC3)C2=O)cc1 ZINC000018217936 556687329 /nfs/dbraw/zinc/68/73/29/556687329.db2.gz IVIDTPHIHNXCRS-HXUWFJFHSA-N 0 0 437.496 2.628 50 0 IFAARN O=C(c1ccccc1)N1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000018283533 556689057 /nfs/dbraw/zinc/68/90/57/556689057.db2.gz LUGNIDLRXSPFIC-GOSISDBHSA-N 0 0 442.313 2.539 50 0 IFAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(F)c(F)c3)ccn12)NCc1cccs1 ZINC000046005411 556689404 /nfs/dbraw/zinc/68/94/04/556689404.db2.gz NISPYTUNWHOTLE-UHFFFAOYSA-N 0 0 429.452 2.859 50 0 IFAARN CS(=O)(=O)c1ccc(NCCc2nc3ccccc3n2C(F)F)c(S(C)(=O)=O)c1 ZINC000072313939 556694761 /nfs/dbraw/zinc/69/47/61/556694761.db2.gz GCRSLRJUOWCPIX-UHFFFAOYSA-N 0 0 443.497 2.893 50 0 IFAARN CN1C(=O)N(CC(=O)OCc2ccc(C(=O)N3CCCC3)cc2)C(=O)C12CCCCC2 ZINC000024233367 556695206 /nfs/dbraw/zinc/69/52/06/556695206.db2.gz YRUZHXGQRYPVIO-UHFFFAOYSA-N 0 0 427.501 2.563 50 0 IFAARN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000024240313 556695867 /nfs/dbraw/zinc/69/58/67/556695867.db2.gz PAECOJGJDCKYDY-UHFFFAOYSA-N 0 0 444.431 2.820 50 0 IFAARN COc1cc2c(c3oc(=O)c(CC(=O)NCCc4c[nH]cn4)c(C)c13)CCC(C)(C)O2 ZINC000013571595 556698800 /nfs/dbraw/zinc/69/88/00/556698800.db2.gz LKEGQRHONGDZAH-UHFFFAOYSA-N 0 0 425.485 2.838 50 0 IFAARN Cc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)n(C)n1 ZINC000013614561 556702912 /nfs/dbraw/zinc/70/29/12/556702912.db2.gz QZNVTRMRZWDJDG-UHFFFAOYSA-N 0 0 444.517 2.596 50 0 IFAARN Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cn1C ZINC000033027003 556704106 /nfs/dbraw/zinc/70/41/06/556704106.db2.gz RUDLLFLMWTWLSW-UHFFFAOYSA-N 0 0 444.601 2.611 50 0 IFAARN CSc1nccc(N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)n1 ZINC000019147381 556706726 /nfs/dbraw/zinc/70/67/26/556706726.db2.gz FFHOTDNRCNJIMO-SFHVURJKSA-N 0 0 426.590 2.939 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CC=C(c2ccccc2)CC1 ZINC000033029120 556709338 /nfs/dbraw/zinc/70/93/38/556709338.db2.gz LCODHOOXGYXPNX-UHFFFAOYSA-N 0 0 442.537 2.832 50 0 IFAARN CS(=O)(=O)CCOc1cccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000060341226 556712581 /nfs/dbraw/zinc/71/25/81/556712581.db2.gz HKVULXILRQSVAO-UHFFFAOYSA-N 0 0 425.890 2.716 50 0 IFAARN CC(C)n1c2nn(S(=O)(=O)c3ccc4c(c3)CCCC4)cc2c(=O)n(C(C)C)c1=O ZINC000033038407 556725252 /nfs/dbraw/zinc/72/52/52/556725252.db2.gz MLPAIVMGEOFSIH-UHFFFAOYSA-N 0 0 430.530 2.637 50 0 IFAARN CC(C)Cc1ccc(S(=O)(=O)n2cc3c(n2)n(C(C)C)c(=O)n(C(C)C)c3=O)cc1 ZINC000033038417 556725502 /nfs/dbraw/zinc/72/55/02/556725502.db2.gz TUTHARCIBXFMHS-UHFFFAOYSA-N 0 0 432.546 2.957 50 0 IFAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000072329006 556726681 /nfs/dbraw/zinc/72/66/81/556726681.db2.gz ZPROOEBTRGXCEQ-UHFFFAOYSA-N 0 0 442.541 2.876 50 0 IFAARN COC(=O)[C@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(Br)ccc1F ZINC000061720694 556728034 /nfs/dbraw/zinc/72/80/34/556728034.db2.gz LUAKAXGPUAXTNP-BJOHPYRUSA-N 0 0 425.258 2.530 50 0 IFAARN O=C(COC(=O)COc1ccc(I)cc1)Nc1ccccc1F ZINC000072331000 556728625 /nfs/dbraw/zinc/72/86/25/556728625.db2.gz MVFLJWARARPZLP-UHFFFAOYSA-N 0 0 429.185 2.991 50 0 IFAARN O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000071325807 556728918 /nfs/dbraw/zinc/72/89/18/556728918.db2.gz LYMVZQRFTFKRAR-SFHVURJKSA-N 0 0 430.888 2.913 50 0 IFAARN CSc1nc(C)c(CCC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c(=O)[nH]1 ZINC000011147087 556729402 /nfs/dbraw/zinc/72/94/02/556729402.db2.gz XXDIBLZALJPYGC-UHFFFAOYSA-N 0 0 426.498 2.895 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)COC(=O)c1cc(Br)ccc1O)c1ccccc1 ZINC000011147814 556730689 /nfs/dbraw/zinc/73/06/89/556730689.db2.gz UPZFJBTXPNQBMJ-SFHVURJKSA-N 0 0 444.285 2.951 50 0 IFAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 ZINC000055061086 556733471 /nfs/dbraw/zinc/73/34/71/556733471.db2.gz CXGCCZWQAIGIOV-QFIPXVFZSA-N 0 0 436.487 2.830 50 0 IFAARN COCCS(=O)(=O)c1ncc(CN(C)[C@@H](C)c2ccccn2)n1Cc1ccccc1 ZINC000055099900 556734649 /nfs/dbraw/zinc/73/46/49/556734649.db2.gz SLHFMFFGWOYUKQ-SFHVURJKSA-N 0 0 428.558 2.940 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)NCC(c1ccccc1)c1ccccc1 ZINC000055100187 556734654 /nfs/dbraw/zinc/73/46/54/556734654.db2.gz CXGCLKYYCZDQBL-XMMPIXPASA-N 0 0 428.536 2.720 50 0 IFAARN CNC(=O)c1ccc(CN(Cc2ccco2)CC2=NS(=O)(=O)c3ccccc3N2)cc1 ZINC000078737108 556735294 /nfs/dbraw/zinc/73/52/94/556735294.db2.gz ASQVTICDTHOJRW-UHFFFAOYSA-N 0 0 438.509 2.854 50 0 IFAARN CC(C)NC(=O)CCCC(=O)OCCC(C)CCOC(=O)CCCC(=O)NC(C)C ZINC000078989115 556736705 /nfs/dbraw/zinc/73/67/05/556736705.db2.gz ZKTXQBVTGZCXPP-UHFFFAOYSA-N 0 0 428.570 2.879 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)N(C[C@H]2CCCO2)c2nc3c(cccc3F)s2)CC1 ZINC000013789178 556737201 /nfs/dbraw/zinc/73/72/01/556737201.db2.gz YDRJNHVRWCGHOR-CQSZACIVSA-N 0 0 441.550 2.619 50 0 IFAARN Cc1cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@@H]4C2=O)no1 ZINC000057440178 556747595 /nfs/dbraw/zinc/74/75/95/556747595.db2.gz HIRQDSRUPIDXSW-REGYPHIPSA-N 0 0 434.279 2.893 50 0 IFAARN CSCC[C@H]1NC(=O)c2cc(NC(=O)c3cc(-c4cccnc4)[nH]n3)ccc2NC1=O ZINC000206252707 556749676 /nfs/dbraw/zinc/74/96/76/556749676.db2.gz XGGRWEMOMMWJJT-MRXNPFEDSA-N 0 0 436.497 2.528 50 0 IFAARN CC(C)(C)c1csc(NC(=O)C[C@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)n1 ZINC000206252817 556749764 /nfs/dbraw/zinc/74/97/64/556749764.db2.gz OZWUQPHJMCQFTM-GFCCVEGCSA-N 0 0 430.486 2.619 50 0 IFAARN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 ZINC000057984761 556750221 /nfs/dbraw/zinc/75/02/21/556750221.db2.gz IFIBYTFOZALUSK-LBPRGKRZSA-N 0 0 448.346 2.764 50 0 IFAARN O=C(Nc1nccs1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000206346296 556751163 /nfs/dbraw/zinc/75/11/63/556751163.db2.gz IRXJZLUOMANHDG-HKUYNNGSSA-N 0 0 434.521 2.862 50 0 IFAARN CCOC(=O)CN(CC1CC1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000057994282 556751442 /nfs/dbraw/zinc/75/14/42/556751442.db2.gz IBZBZXXJLHDCDY-UHFFFAOYSA-N 0 0 436.574 2.596 50 0 IFAARN C[C@H](CN1CCCC1=O)NC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000058002850 556752165 /nfs/dbraw/zinc/75/21/65/556752165.db2.gz FHEOUVKVPQJUIU-CYBMUJFWSA-N 0 0 442.447 2.939 50 0 IFAARN COC(=O)COc1ccc(NC(=O)[C@@H](C)NC(=O)/C=C/c2ccc(OC)cc2)c(C)c1 ZINC000058008895 556752857 /nfs/dbraw/zinc/75/28/57/556752857.db2.gz YQHXDAFYTBWXNT-NYUWMOHMSA-N 0 0 426.469 2.712 50 0 IFAARN COc1cccc(C[C@@H](C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)n2nnnc2C)c1 ZINC000058014118 556753411 /nfs/dbraw/zinc/75/34/11/556753411.db2.gz ADYOACDIOTUKFS-UGKGYDQZSA-N 0 0 448.527 2.651 50 0 IFAARN CC(C)C[C@@H](C(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000058109732 556758764 /nfs/dbraw/zinc/75/87/64/556758764.db2.gz IXDAFRZVLHQOBE-PZJWPPBQSA-N 0 0 449.507 2.580 50 0 IFAARN CC(=O)c1ccc(N2CCN(Cc3cc(=O)n4cc(Br)ccc4n3)CC2)cc1 ZINC000058159596 556764012 /nfs/dbraw/zinc/76/40/12/556764012.db2.gz LUTUGCQFOVMDKA-UHFFFAOYSA-N 0 0 441.329 2.982 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000058161219 556764842 /nfs/dbraw/zinc/76/48/42/556764842.db2.gz ULQQHDNCSTZWJI-KRWDZBQOSA-N 0 0 429.542 2.531 50 0 IFAARN COc1cccc(OC)c1Oc1ccc(CNC(=O)N[C@@H](C)C(=O)NC(C)(C)C)cn1 ZINC000058161371 556765147 /nfs/dbraw/zinc/76/51/47/556765147.db2.gz WQVKZILIQAXPFG-AWEZNQCLSA-N 0 0 430.505 2.994 50 0 IFAARN COc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000058162373 556766076 /nfs/dbraw/zinc/76/60/76/556766076.db2.gz SYOHTSZABWDBHU-GOSISDBHSA-N 0 0 431.558 2.646 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(-n5ccnc5)nn4)C3)CC2)c1 ZINC000062022892 556766174 /nfs/dbraw/zinc/76/61/74/556766174.db2.gz NMRIEBKJODMSIK-OAQYLSRUSA-N 0 0 445.571 2.844 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3coc(NC(=O)c4ccco4)n3)sc2c1 ZINC000062023042 556766569 /nfs/dbraw/zinc/76/65/69/556766569.db2.gz IVMXIAKGIUCXCM-UHFFFAOYSA-N 0 0 432.439 2.785 50 0 IFAARN O=C(Nc1nnc(C2CCCCC2)s1)N1CCCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000058168351 556767376 /nfs/dbraw/zinc/76/73/76/556767376.db2.gz ARGMHOSYWUAEMD-UHFFFAOYSA-N 0 0 430.534 2.654 50 0 IFAARN O=C(NCc1cccnc1N1CCOCC1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000058169384 556767732 /nfs/dbraw/zinc/76/77/32/556767732.db2.gz USOSQJSSFVDBQU-UHFFFAOYSA-N 0 0 443.979 2.989 50 0 IFAARN CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3C(=O)NC3CC3)CC2)c(F)c1 ZINC000058170311 556767946 /nfs/dbraw/zinc/76/79/46/556767946.db2.gz GCOZTVQQKPUUQI-UHFFFAOYSA-N 0 0 438.503 2.681 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(Cn3c4ccc(Cl)cc4oc3=O)CC2)cc1 ZINC000058173860 556768837 /nfs/dbraw/zinc/76/88/37/556768837.db2.gz RDJSWIBCUVABKG-UHFFFAOYSA-N 0 0 435.933 2.910 50 0 IFAARN CCN1C[C@@H](CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)Oc2ccccc21 ZINC000058175565 556769417 /nfs/dbraw/zinc/76/94/17/556769417.db2.gz PSROFKSRRSBREX-QGZVFWFLSA-N 0 0 447.557 2.732 50 0 IFAARN O=C(CCn1cnc2ccccc2c1=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000058202348 556771505 /nfs/dbraw/zinc/77/15/05/556771505.db2.gz SZLGUXHHWQRVQD-UHFFFAOYSA-N 0 0 428.496 2.978 50 0 IFAARN COCCNS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3c(F)cccc3F)n[nH]2)c1 ZINC000058224324 556773458 /nfs/dbraw/zinc/77/34/58/556773458.db2.gz WMWUAZJPMJZXDU-UHFFFAOYSA-N 0 0 436.440 2.532 50 0 IFAARN Cn1c(N)c(-c2csc(-c3ccc(NC(=O)c4cccs4)cc3)n2)c(=O)n(C)c1=O ZINC000058229246 556774077 /nfs/dbraw/zinc/77/40/77/556774077.db2.gz HDXFWWSXIYVSOA-UHFFFAOYSA-N 0 0 439.522 2.771 50 0 IFAARN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000058244598 556774793 /nfs/dbraw/zinc/77/47/93/556774793.db2.gz FDIIKXWVBKWSQK-MRXNPFEDSA-N 0 0 427.448 2.854 50 0 IFAARN COCCOCCCNC(=O)c1cccn1-c1cccc(I)c1 ZINC000058255747 556776009 /nfs/dbraw/zinc/77/60/09/556776009.db2.gz YMKDYZZHFVEDBO-UHFFFAOYSA-N 0 0 428.270 2.865 50 0 IFAARN CCc1noc(CN(C)C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)n1 ZINC000058328868 556781262 /nfs/dbraw/zinc/78/12/62/556781262.db2.gz MNYZXAAQQVAIIT-UHFFFAOYSA-N 0 0 444.513 2.738 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(Nc4cccnc4)CC3)C2)s1 ZINC000058331292 556781629 /nfs/dbraw/zinc/78/16/29/556781629.db2.gz KGLKMCPGHPKDNT-KRWDZBQOSA-N 0 0 448.614 2.955 50 0 IFAARN CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000058370308 556783421 /nfs/dbraw/zinc/78/34/21/556783421.db2.gz GTLYFIYXOUZKGE-UHFFFAOYSA-N 0 0 448.516 2.816 50 0 IFAARN CCCOc1ccc(C(=O)N(C)CC(=O)N2CCC(C(=O)OCC)CC2)cc1OCC ZINC000058377549 556783679 /nfs/dbraw/zinc/78/36/79/556783679.db2.gz LLFVQGYWDSVBOA-UHFFFAOYSA-N 0 0 434.533 2.748 50 0 IFAARN Cc1cc(C)cc(-c2nn(CN3CCCN(C(=O)c4ccc[nH]c4=O)CC3)c(=S)o2)c1 ZINC000058434747 556788258 /nfs/dbraw/zinc/78/82/58/556788258.db2.gz KDSNQPSJCJDBQT-UHFFFAOYSA-N 0 0 439.541 2.983 50 0 IFAARN CCc1noc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)n1 ZINC000058596034 556790630 /nfs/dbraw/zinc/79/06/30/556790630.db2.gz OJOUGOCHQTUGLW-UHFFFAOYSA-N 0 0 449.758 2.554 50 0 IFAARN Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@@H](C(N)=O)c3cccc(Br)c3)C2=O)c1 ZINC000059008242 556794038 /nfs/dbraw/zinc/79/40/38/556794038.db2.gz GNTGEOFEWKOEMP-ZWKOTPCHSA-N 0 0 444.329 2.762 50 0 IFAARN CCCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1 ZINC000002393241 556799427 /nfs/dbraw/zinc/79/94/27/556799427.db2.gz UXZHXRGMXBRMLC-ZHZULCJRSA-N 0 0 437.496 2.968 50 0 IFAARN COCCN(CCOC)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000002636079 556801261 /nfs/dbraw/zinc/80/12/61/556801261.db2.gz LKTPKSDGJWKWQO-UHFFFAOYSA-N 0 0 427.530 2.543 50 0 IFAARN Cn1cc(CCC(=O)N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)cn1 ZINC000059733870 556803616 /nfs/dbraw/zinc/80/36/16/556803616.db2.gz FHAWRUQOYDENRS-UHFFFAOYSA-N 0 0 448.449 2.766 50 0 IFAARN CN(C)C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 ZINC000059759847 556804229 /nfs/dbraw/zinc/80/42/29/556804229.db2.gz TXHSSEFREXSQCT-UHFFFAOYSA-N 0 0 436.578 2.630 50 0 IFAARN CCNC(=O)CN1CCCN(C(=O)c2sc(-c3ccc(OCC)cc3)nc2C)CC1 ZINC000059849813 556805003 /nfs/dbraw/zinc/80/50/03/556805003.db2.gz SCQHNAKPSGMABE-UHFFFAOYSA-N 0 0 430.574 2.801 50 0 IFAARN CC[C@@]1(c2ccc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)cc2)CCC(=O)NC1=O ZINC000059988878 556805753 /nfs/dbraw/zinc/80/57/53/556805753.db2.gz BPEKUKNPRUVIEF-QFIPXVFZSA-N 0 0 443.525 2.703 50 0 IFAARN CCOc1ccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 ZINC000060082791 556806402 /nfs/dbraw/zinc/80/64/02/556806402.db2.gz DQZGOSNYZABEPJ-MRXNPFEDSA-N 0 0 425.485 2.510 50 0 IFAARN C[C@H]1CN(Cc2cccc(CNC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)c2)CCO1 ZINC000062290920 556811161 /nfs/dbraw/zinc/81/11/61/556811161.db2.gz AAYDAVYVMASOAP-RDPSFJRHSA-N 0 0 435.568 2.615 50 0 IFAARN COc1ccccc1N1CCN([C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 ZINC000061969839 556812392 /nfs/dbraw/zinc/81/23/92/556812392.db2.gz OSYINLFEOJAFBQ-HXUWFJFHSA-N 0 0 429.586 2.979 50 0 IFAARN Cc1ccc(C)c(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)c1 ZINC000097943459 556812991 /nfs/dbraw/zinc/81/29/91/556812991.db2.gz RCKWIVSPAKROOX-JOCHJYFZSA-N 0 0 445.523 2.765 50 0 IFAARN CC[C@H](C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)CC1 ZINC000097943688 556813473 /nfs/dbraw/zinc/81/34/73/556813473.db2.gz DMPGKTZKSSSLSK-OXJNMPFZSA-N 0 0 425.533 2.625 50 0 IFAARN CCCCn1c2nc(CN(C)Cc3cccc(OC)c3OC)n(CCC)c2c(=O)[nH]c1=O ZINC000003440297 556815516 /nfs/dbraw/zinc/81/55/16/556815516.db2.gz HCLZJBDRLCZXJW-UHFFFAOYSA-N 0 0 443.548 2.746 50 0 IFAARN O=C(OCc1nc2ccccc2s1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000003458794 556816303 /nfs/dbraw/zinc/81/63/03/556816303.db2.gz DTFOJWVMEPOQQS-UHFFFAOYSA-N 0 0 436.486 2.813 50 0 IFAARN COc1cc(CNC(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc(OC)c1OC ZINC000033060265 556816755 /nfs/dbraw/zinc/81/67/55/556816755.db2.gz VCYJSDQDKWTYJX-UHFFFAOYSA-N 0 0 446.460 2.885 50 0 IFAARN COc1ccc(CNC(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)n2N)cc1 ZINC000003535592 556817410 /nfs/dbraw/zinc/81/74/10/556817410.db2.gz RIDCFKJFNLFWRW-UHFFFAOYSA-N 0 0 435.456 2.677 50 0 IFAARN O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccccc2)CC1 ZINC000004004842 556818287 /nfs/dbraw/zinc/81/82/87/556818287.db2.gz IGDCKRNSWXEZDI-UHFFFAOYSA-N 0 0 440.503 2.701 50 0 IFAARN COc1ccc(OC)c(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(C)cc3)no2)c1 ZINC000033062837 556819187 /nfs/dbraw/zinc/81/91/87/556819187.db2.gz JVSRCQFSSSEEMW-UHFFFAOYSA-N 0 0 445.497 2.940 50 0 IFAARN CC(C)[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000072403430 556823405 /nfs/dbraw/zinc/82/34/05/556823405.db2.gz YTDRGLZIXMQYTK-KRWDZBQOSA-N 0 0 434.903 2.764 50 0 IFAARN O=C1CCc2cc(S(=O)(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)cc3c2N1CC3 ZINC000206659359 556826626 /nfs/dbraw/zinc/82/66/26/556826626.db2.gz ODBOBIMOEVRKPA-QGZVFWFLSA-N 0 0 440.443 2.553 50 0 IFAARN Cc1cc(C)c2c(n1)SCCN2C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000064816864 556827578 /nfs/dbraw/zinc/82/75/78/556827578.db2.gz NXFGENDLIXSTGU-UHFFFAOYSA-N 0 0 425.558 2.669 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCc3c(c(C(=O)NCc4cccc(C)c4)nn3C)C2)c1 ZINC000064892929 556828077 /nfs/dbraw/zinc/82/80/77/556828077.db2.gz RMYZRRZGCANHRD-UHFFFAOYSA-N 0 0 448.523 2.874 50 0 IFAARN Cn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000064893768 556828843 /nfs/dbraw/zinc/82/88/43/556828843.db2.gz XHTYCFSNDDKIKO-UHFFFAOYSA-N 0 0 437.422 2.502 50 0 IFAARN C[C@H](C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)N1C(=O)c2ccccc2C1=O ZINC000019604072 556830967 /nfs/dbraw/zinc/83/09/67/556830967.db2.gz JMAWCHYRNCIJIH-CYBMUJFWSA-N 0 0 436.493 2.756 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)O[C@H](C)C(=O)N3CCc4ccccc4C3)c(C)n2n1 ZINC000019614753 556831641 /nfs/dbraw/zinc/83/16/41/556831641.db2.gz SVYFJALJCCYGAX-OAHLLOKOSA-N 0 0 439.541 2.522 50 0 IFAARN COc1ccc(C(=O)NCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1OC ZINC000019617674 556831684 /nfs/dbraw/zinc/83/16/84/556831684.db2.gz ISNOFQSEPOLBNB-UHFFFAOYSA-N 0 0 436.512 2.895 50 0 IFAARN CC(C)(C)c1cc(NC(=O)CCc2nc(-c3ccco3)no2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000022992765 556832087 /nfs/dbraw/zinc/83/20/87/556832087.db2.gz LEACYEJGCAKCGZ-CYBMUJFWSA-N 0 0 447.517 2.755 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)nc(C)n2)n1 ZINC000065364056 556835457 /nfs/dbraw/zinc/83/54/57/556835457.db2.gz OQKVGZWLVILXMC-UHFFFAOYSA-N 0 0 435.488 2.670 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000019637573 556836039 /nfs/dbraw/zinc/83/60/39/556836039.db2.gz KOXZWVNLEZMGJB-UHFFFAOYSA-N 0 0 442.990 2.988 50 0 IFAARN C[C@H]1CCc2c(sc(NC(=O)CN3CCN(Cc4ccc(F)cc4)CC3)c2C(N)=O)C1 ZINC000019641497 556837518 /nfs/dbraw/zinc/83/75/18/556837518.db2.gz CXFROJBVTIJAMF-HNNXBMFYSA-N 0 0 444.576 2.867 50 0 IFAARN Cc1sc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)nc1-c1ccccc1 ZINC000019641646 556837736 /nfs/dbraw/zinc/83/77/36/556837736.db2.gz ZAMXWRZTSXNGQZ-UHFFFAOYSA-N 0 0 444.586 2.810 50 0 IFAARN CCCCN(CC)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 ZINC000062582544 556838482 /nfs/dbraw/zinc/83/84/82/556838482.db2.gz FGRTVESBYQIVGZ-UHFFFAOYSA-N 0 0 430.574 2.855 50 0 IFAARN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccc2c(n1)OCCN2C(=O)C(C)(C)C ZINC000066054245 556839629 /nfs/dbraw/zinc/83/96/29/556839629.db2.gz KEFLLIICCJUNDI-CABCVRRESA-N 0 0 447.532 2.977 50 0 IFAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cn3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000072405122 556839678 /nfs/dbraw/zinc/83/96/78/556839678.db2.gz HWRBTWOIOMFDGI-INIZCTEOSA-N 0 0 426.498 2.874 50 0 IFAARN C[C@@]1(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)CCS(=O)(=O)C1 ZINC000071966474 556841534 /nfs/dbraw/zinc/84/15/34/556841534.db2.gz FXTUNNCDGVXUFH-CQSZACIVSA-N 0 0 435.390 2.870 50 0 IFAARN CNC(=O)c1ccc(CN(CC(=O)NC(=O)NCc2cccs2)Cc2ccco2)cc1 ZINC000096743034 556842065 /nfs/dbraw/zinc/84/20/65/556842065.db2.gz ZFRYCVNYGBEEHY-UHFFFAOYSA-N 0 0 440.525 2.729 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 ZINC000008704952 556842648 /nfs/dbraw/zinc/84/26/48/556842648.db2.gz AEDIQTIZXGTNQL-UHFFFAOYSA-N 0 0 431.558 2.652 50 0 IFAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2F)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000008754052 556845610 /nfs/dbraw/zinc/84/56/10/556845610.db2.gz VXZYJKMPPWHPJY-LBPRGKRZSA-N 0 0 445.520 2.713 50 0 IFAARN CCN(Cc1ccccc1)C(=O)CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096809616 556845992 /nfs/dbraw/zinc/84/59/92/556845992.db2.gz XJJYTGZZOWDWRK-AQTBWJFISA-N 0 0 427.570 2.653 50 0 IFAARN Cc1cc(NC(=O)CN2CCN(C[C@@H](O)COc3ccc(C(C)(C)C)cc3C)CC2)no1 ZINC000096837093 556846909 /nfs/dbraw/zinc/84/69/09/556846909.db2.gz NFDAAKKBKSNIIX-HXUWFJFHSA-N 0 0 444.576 2.585 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)CC1 ZINC000096834794 556847207 /nfs/dbraw/zinc/84/72/07/556847207.db2.gz RSXSMNKMHMAZGE-UHFFFAOYSA-N 0 0 431.558 2.593 50 0 IFAARN CC(C)NC(=O)N1C[C@@H](C(=O)N2CCN(C)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097954607 556850525 /nfs/dbraw/zinc/85/05/25/556850525.db2.gz BBNLCPGVHJJUEI-QZTJIDSGSA-N 0 0 426.483 2.613 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000008862078 556851565 /nfs/dbraw/zinc/85/15/65/556851565.db2.gz HYJGCMRGJBSWLQ-LLVKDONJSA-N 0 0 448.526 2.552 50 0 IFAARN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000008878362 556851593 /nfs/dbraw/zinc/85/15/93/556851593.db2.gz YYOKINWHIOKPNX-NVXWUHKLSA-N 0 0 429.542 2.517 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)NC(=O)NCCC1=CCCCC1 ZINC000008942834 556852991 /nfs/dbraw/zinc/85/29/91/556852991.db2.gz JHNWOCZPSJOIEK-OAQYLSRUSA-N 0 0 430.530 2.548 50 0 IFAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O ZINC000008936566 556852999 /nfs/dbraw/zinc/85/29/99/556852999.db2.gz CVTSRKZFPHPRQX-QGZVFWFLSA-N 0 0 441.296 2.560 50 0 IFAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4cccnc4)CC3)c2)no1 ZINC000033086653 556857227 /nfs/dbraw/zinc/85/72/27/556857227.db2.gz YXNOFWMJTBHBPN-UHFFFAOYSA-N 0 0 441.513 2.788 50 0 IFAARN COc1ccc(-n2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)ccc2=O)cc1 ZINC000033128370 556865498 /nfs/dbraw/zinc/86/54/98/556865498.db2.gz RQQDZIRHVWODIG-UHFFFAOYSA-N 0 0 427.482 2.989 50 0 IFAARN CCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O ZINC000033140932 556876790 /nfs/dbraw/zinc/87/67/90/556876790.db2.gz JCNJFKSLIYNLBN-UHFFFAOYSA-N 0 0 447.948 2.840 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)NCCC2=CCCCC2)c1=O ZINC000033140997 556876942 /nfs/dbraw/zinc/87/69/42/556876942.db2.gz XWONTVYRTXGFRS-UHFFFAOYSA-N 0 0 445.589 2.637 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccc(C)c2C)c1=O ZINC000033141008 556877127 /nfs/dbraw/zinc/87/71/27/556877127.db2.gz RTJGNYUOQNCYHS-UHFFFAOYSA-N 0 0 441.557 2.885 50 0 IFAARN O=C(NCCCN1CCOCC1)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168807 556881271 /nfs/dbraw/zinc/88/12/71/556881271.db2.gz GLIYVUCKGNGWAW-IBGZPJMESA-N 0 0 441.601 2.683 50 0 IFAARN CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2 ZINC000019741399 556883620 /nfs/dbraw/zinc/88/36/20/556883620.db2.gz CSKHJVDNWQPQBI-LYDJUCFBSA-N 0 0 437.997 2.662 50 0 IFAARN COC(=O)c1ccc(NC(=O)NC2CCN(c3nc4ccccc4n(C)c3=O)CC2)cc1 ZINC000033169684 556884662 /nfs/dbraw/zinc/88/46/62/556884662.db2.gz KNFXVRQLUHFOGX-UHFFFAOYSA-N 0 0 435.484 2.511 50 0 IFAARN O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N[C@@H]1CCC[C@@H]1Cc1ccco1 ZINC000016027752 556890708 /nfs/dbraw/zinc/89/07/08/556890708.db2.gz AUDRWADRXKYILE-QEUVDIPISA-N 0 0 437.540 2.695 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000033254625 556890805 /nfs/dbraw/zinc/89/08/05/556890805.db2.gz AHXJTHLXPJGDCW-UHFFFAOYSA-N 0 0 447.532 2.891 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3cccc(F)c3)CC2)cc1 ZINC000033254665 556891118 /nfs/dbraw/zinc/89/11/18/556891118.db2.gz CBUOHOOFBXDKJS-UHFFFAOYSA-N 0 0 447.532 2.891 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)cc1OC ZINC000033250217 556891224 /nfs/dbraw/zinc/89/12/24/556891224.db2.gz VJLANONKIRZSLA-UHFFFAOYSA-N 0 0 441.557 2.921 50 0 IFAARN COc1ccc(OCc2nc(CCN(C)C(=O)c3cc(OC)cc(OC)c3)no2)cc1 ZINC000033252725 556893113 /nfs/dbraw/zinc/89/31/13/556893113.db2.gz XIFGWGCUYRUDET-UHFFFAOYSA-N 0 0 427.457 2.989 50 0 IFAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000072115595 556897864 /nfs/dbraw/zinc/89/78/64/556897864.db2.gz SYDGJSTUQFGGJU-UHFFFAOYSA-N 0 0 425.913 2.976 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1Cl ZINC000072139261 556899160 /nfs/dbraw/zinc/89/91/60/556899160.db2.gz IGLTYBVYPQQHSP-UHFFFAOYSA-N 0 0 427.896 2.987 50 0 IFAARN CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@H]3C(=O)NCc3ccccc3)ccc21 ZINC000033263039 556901079 /nfs/dbraw/zinc/90/10/79/556901079.db2.gz CAGBICZMTYIXBV-NRFANRHFSA-N 0 0 441.557 2.701 50 0 IFAARN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)C1 ZINC000033263518 556901127 /nfs/dbraw/zinc/90/11/27/556901127.db2.gz QQJCXLMTMKQUJW-CQSZACIVSA-N 0 0 445.545 2.568 50 0 IFAARN O=C(CCC1=NNC(=O)CC1)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 ZINC000019770568 556912859 /nfs/dbraw/zinc/91/28/59/556912859.db2.gz GBMDVJHCAQOSRH-UHFFFAOYSA-N 0 0 425.451 2.895 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000019782523 556914153 /nfs/dbraw/zinc/91/41/53/556914153.db2.gz IRBACUXAMQGEEZ-IBGZPJMESA-N 0 0 440.496 2.687 50 0 IFAARN COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000019809329 556918594 /nfs/dbraw/zinc/91/85/94/556918594.db2.gz ZZHBAQQDJNPIKC-LJQANCHMSA-N 0 0 442.899 2.742 50 0 IFAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000019817452 556920135 /nfs/dbraw/zinc/92/01/35/556920135.db2.gz XUYQMLKFGDRQSS-JOCHJYFZSA-N 0 0 447.539 2.847 50 0 IFAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000019817454 556920218 /nfs/dbraw/zinc/92/02/18/556920218.db2.gz XUYQMLKFGDRQSS-QFIPXVFZSA-N 0 0 447.539 2.847 50 0 IFAARN O=C(c1cccnc1)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc21 ZINC000019819237 556922128 /nfs/dbraw/zinc/92/21/28/556922128.db2.gz ZASYYQORLOQURR-UHFFFAOYSA-N 0 0 448.504 2.970 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)CCN4C(=O)C3CC3)ccc21 ZINC000019819482 556922806 /nfs/dbraw/zinc/92/28/06/556922806.db2.gz XCGYBABGUXJWMV-UHFFFAOYSA-N 0 0 425.510 2.696 50 0 IFAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1cccc(Br)c1 ZINC000019819741 556923105 /nfs/dbraw/zinc/92/31/05/556923105.db2.gz SLOAVDXDVQFIHW-KRWDZBQOSA-N 0 0 433.302 2.981 50 0 IFAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)N1CCCCC1 ZINC000019842896 556930166 /nfs/dbraw/zinc/93/01/66/556930166.db2.gz JDIZMWQRKYUVDW-UHFFFAOYSA-N 0 0 435.981 2.858 50 0 IFAARN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2C)C1 ZINC000019857819 556931397 /nfs/dbraw/zinc/93/13/97/556931397.db2.gz DXSUDLIXNAYHLU-KRWDZBQOSA-N 0 0 430.526 2.962 50 0 IFAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(O)c2)N1CCCN1CCOCC1 ZINC000019861571 556933953 /nfs/dbraw/zinc/93/39/53/556933953.db2.gz AXKVJTFILDQATN-NRFANRHFSA-N 0 0 438.455 2.905 50 0 IFAARN CSc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1 ZINC000019883258 556937613 /nfs/dbraw/zinc/93/76/13/556937613.db2.gz QTOOBIMWFVDYDJ-HEHNFIMWSA-N 0 0 425.554 2.628 50 0 IFAARN Cc1cccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c1 ZINC000019891136 556939516 /nfs/dbraw/zinc/93/95/16/556939516.db2.gz XJSZPZODEYGCDW-UHFFFAOYSA-N 0 0 433.516 2.552 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000019900201 556941614 /nfs/dbraw/zinc/94/16/14/556941614.db2.gz ITOWPZINFBBHIM-JOCHJYFZSA-N 0 0 441.597 2.740 50 0 IFAARN O=c1oc2cc(OC[C@H](O)CN3CCN(c4ccccc4F)CC3)ccc2c2c1CCC2 ZINC000019909133 556942826 /nfs/dbraw/zinc/94/28/26/556942826.db2.gz PDWYZDJRFIDGNP-QGZVFWFLSA-N 0 0 438.499 2.983 50 0 IFAARN C(Nc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)[C@@H]1CCCO1 ZINC000019940234 556953609 /nfs/dbraw/zinc/95/36/09/556953609.db2.gz GYKZRVSVHMRZFB-ZDUSSCGKSA-N 0 0 426.546 2.941 50 0 IFAARN Cn1c2c(nc(Sc3ncccn3)n2Cc2ccc(C(C)(C)C)cc2)c(=O)n(C)c1=O ZINC000020031492 556968886 /nfs/dbraw/zinc/96/88/86/556968886.db2.gz VLDLBHWPNGHCKI-UHFFFAOYSA-N 0 0 436.541 2.721 50 0 IFAARN COCCCN1CN=C2N[C@@H](c3ccc(OC)c(OC)c3)n3c4ccccc4nc3N2C1 ZINC000020101733 556980454 /nfs/dbraw/zinc/98/04/54/556980454.db2.gz JIUQYLBUQROBGU-OAQYLSRUSA-N 0 0 436.516 2.633 50 0 IFAARN COCCCN1CN=C2N[C@H](c3ccc(OC)c(OC)c3)n3c4ccccc4nc3N2C1 ZINC000020101735 556980461 /nfs/dbraw/zinc/98/04/61/556980461.db2.gz JIUQYLBUQROBGU-NRFANRHFSA-N 0 0 436.516 2.633 50 0 IFAARN CCOC(=O)c1cc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc(C(=O)OCC)c1 ZINC000023039522 556985737 /nfs/dbraw/zinc/98/57/37/556985737.db2.gz ZHVWPQBLZKIXIQ-UHFFFAOYSA-N 0 0 438.436 2.946 50 0 IFAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)N2CCOCC2)cc1OC ZINC000033268879 556986134 /nfs/dbraw/zinc/98/61/34/556986134.db2.gz VIGCCQXIUVFLRP-UHFFFAOYSA-N 0 0 428.514 2.673 50 0 IFAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1cc(=O)n2c(C)csc2n1 ZINC000023044381 556986387 /nfs/dbraw/zinc/98/63/87/556986387.db2.gz VGYAIICOAGFUKS-UHFFFAOYSA-N 0 0 449.583 2.764 50 0 IFAARN COCCCNC(=O)CSc1cc(C)nc2c(-c3ccc(OC)c(OC)c3)cnn21 ZINC000033268927 556986551 /nfs/dbraw/zinc/98/65/51/556986551.db2.gz LZAOMRRNWSUMBE-UHFFFAOYSA-N 0 0 430.530 2.967 50 0 IFAARN COc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)n[nH]2)cc1Br ZINC000097104257 556987278 /nfs/dbraw/zinc/98/72/78/556987278.db2.gz TYIYVRYZVAQKDM-UHFFFAOYSA-N 0 0 437.319 2.764 50 0 IFAARN O=C(c1ccccc1OC(F)(F)F)N1CCCN([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097112489 556989564 /nfs/dbraw/zinc/98/95/64/556989564.db2.gz YZCNJPKLOYTSKA-QGZVFWFLSA-N 0 0 425.451 2.744 50 0 IFAARN O=C(c1ccccc1OC(F)(F)F)N1CCCN([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097112491 556989574 /nfs/dbraw/zinc/98/95/74/556989574.db2.gz YZCNJPKLOYTSKA-KRWDZBQOSA-N 0 0 425.451 2.744 50 0 IFAARN O=C(Cn1nnc(-c2ccccc2Br)n1)Nc1cccc(N2CCCC2=O)c1 ZINC000097134460 556991410 /nfs/dbraw/zinc/99/14/10/556991410.db2.gz PQESVPFVGLTVQC-UHFFFAOYSA-N 0 0 441.289 2.868 50 0 IFAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCc2nc(C)cc(C)n2)c1 ZINC000076835798 556993231 /nfs/dbraw/zinc/99/32/31/556993231.db2.gz TXGVMWQUSJZRNQ-UHFFFAOYSA-N 0 0 438.528 2.812 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)c1 ZINC000077134273 556996298 /nfs/dbraw/zinc/99/62/98/556996298.db2.gz MRAXOUDNQMQHPT-UHFFFAOYSA-N 0 0 436.516 2.567 50 0 IFAARN CN(CCCCN1CCOCC1)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000020202610 556997902 /nfs/dbraw/zinc/99/79/02/556997902.db2.gz CACDZLORZWAYIN-UHFFFAOYSA-N 0 0 425.455 2.530 50 0 IFAARN CCOc1ccccc1N1CCN(C(=O)CN2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000097985410 556999987 /nfs/dbraw/zinc/99/99/87/556999987.db2.gz OVZCFLRAKJBPKU-UHFFFAOYSA-N 0 0 440.519 2.811 50 0 IFAARN COC(=O)Nc1ccc(C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)cc1 ZINC000023098325 557000565 /nfs/dbraw/zinc/00/05/65/557000565.db2.gz PWAASNFHQQIONI-LJQANCHMSA-N 0 0 443.500 2.685 50 0 IFAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccncc1)c(=O)n2-c1ccccc1 ZINC000020220714 557000626 /nfs/dbraw/zinc/00/06/26/557000626.db2.gz UGCXURPUQFLAMZ-UHFFFAOYSA-N 0 0 428.448 2.655 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)oc1C ZINC000020223660 557000684 /nfs/dbraw/zinc/00/06/84/557000684.db2.gz WPLZIOFNAYSSSL-UHFFFAOYSA-N 0 0 434.301 2.587 50 0 IFAARN COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc32)N2CCOCC2)c1 ZINC000023107141 557001730 /nfs/dbraw/zinc/00/17/30/557001730.db2.gz UVTHQKZFXRFRJJ-QHCPKHFHSA-N 0 0 448.523 2.680 50 0 IFAARN Cn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCN2CCOCC2)c2ccccc21 ZINC000020229510 557001772 /nfs/dbraw/zinc/00/17/72/557001772.db2.gz MBHFTFMTYPZQBT-NKFKGCMQSA-N 0 0 446.551 2.788 50 0 IFAARN Cc1ccc(Cc2nn3c(=O)/c(=C\c4cccc(Br)c4)sc3nc2=O)cc1 ZINC000020233263 557001869 /nfs/dbraw/zinc/00/18/69/557001869.db2.gz MSUVFKYFCDADSM-GZTJUZNOSA-N 0 0 440.322 2.721 50 0 IFAARN COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc32)N2CCOCC2)cc1 ZINC000023107501 557002110 /nfs/dbraw/zinc/00/21/10/557002110.db2.gz LYCCUFNTWWNLNY-QHCPKHFHSA-N 0 0 448.523 2.680 50 0 IFAARN COc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCOCC2)cc1 ZINC000023107633 557002434 /nfs/dbraw/zinc/00/24/34/557002434.db2.gz OBZUKWBATPPPST-DEOSSOPVSA-N 0 0 447.535 2.654 50 0 IFAARN C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000023108306 557003535 /nfs/dbraw/zinc/00/35/35/557003535.db2.gz IKOPDLAXYUNAKN-KBPBESRZSA-N 0 0 448.449 2.889 50 0 IFAARN COc1ccc(CN2CCN(CCOCCOc3ccccc3)CC2)c(OC)c1OC ZINC000020293439 557006019 /nfs/dbraw/zinc/00/60/19/557006019.db2.gz PKOLKHQUHWNSTI-UHFFFAOYSA-N 0 0 430.545 2.926 50 0 IFAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000048234953 557006572 /nfs/dbraw/zinc/00/65/72/557006572.db2.gz AIHTZTJIHBKMNC-UHFFFAOYSA-N 0 0 438.557 2.754 50 0 IFAARN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccccc2F)N(CCN2CCOCC2)C1=O ZINC000020308405 557006788 /nfs/dbraw/zinc/00/67/88/557006788.db2.gz FAIUXFOEEHBPEY-NRFANRHFSA-N 0 0 438.455 2.818 50 0 IFAARN COC(=O)c1ccc(OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000023125075 557007177 /nfs/dbraw/zinc/00/71/77/557007177.db2.gz RAWYSLCXEYGYGK-UHFFFAOYSA-N 0 0 443.521 2.968 50 0 IFAARN COCCN1C(=O)N(c2cccc(C)c2)C(=O)[C@@H]1CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000020353822 557009779 /nfs/dbraw/zinc/00/97/79/557009779.db2.gz QWRLNMKLABYTFF-IBGZPJMESA-N 0 0 439.468 2.594 50 0 IFAARN O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2cccnc21)Nc1ccccc1C(F)(F)F ZINC000020356851 557010810 /nfs/dbraw/zinc/01/08/10/557010810.db2.gz RIDULUCPMWMPLQ-UHFFFAOYSA-N 0 0 444.369 2.857 50 0 IFAARN CCN(CCO)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020358320 557011540 /nfs/dbraw/zinc/01/15/40/557011540.db2.gz KODUUCAYHRECBZ-UHFFFAOYSA-N 0 0 443.573 2.746 50 0 IFAARN CC12CN3CC(C)(CN(C1)C3c1cc3ccccc3nc1I)C2O ZINC000079124168 557011875 /nfs/dbraw/zinc/01/18/75/557011875.db2.gz HXJBNZJUZLLXBO-UHFFFAOYSA-N 0 0 435.309 2.856 50 0 IFAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000023127788 557012175 /nfs/dbraw/zinc/01/21/75/557012175.db2.gz RFYIMUZRGMOXNB-NRFANRHFSA-N 0 0 431.558 2.633 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccc(C)cc3)oc1C)c(=O)n2C ZINC000020394134 557013133 /nfs/dbraw/zinc/01/31/33/557013133.db2.gz JVVWYRRFQFTZEU-UHFFFAOYSA-N 0 0 434.452 2.510 50 0 IFAARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000020393261 557013164 /nfs/dbraw/zinc/01/31/64/557013164.db2.gz CKQHOCFSFLTMIJ-QPXQOZNCSA-N 0 0 437.883 2.780 50 0 IFAARN COc1ccc(-n2nnc3c2ncn(Cc2nc(-c4ccccc4Cl)no2)c3=O)cc1 ZINC000045971115 557013973 /nfs/dbraw/zinc/01/39/73/557013973.db2.gz XLIUUIRRRPMWMX-UHFFFAOYSA-N 0 0 435.831 2.738 50 0 IFAARN Cc1cccc(-c2noc(C(=O)NCCNC(=O)COc3ccc(Cl)c(C)c3)n2)c1 ZINC000020417620 557014469 /nfs/dbraw/zinc/01/44/69/557014469.db2.gz JPJOLOJZWJGCMK-UHFFFAOYSA-N 0 0 428.876 2.932 50 0 IFAARN Cc1nn(CCC(=O)NCCCc2ccccc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000045998073 557015824 /nfs/dbraw/zinc/01/58/24/557015824.db2.gz TZEPHKGPDWUYQI-UHFFFAOYSA-N 0 0 432.590 2.814 50 0 IFAARN Cn1c2ccccc2nc1CN1CCN(c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000020428252 557016069 /nfs/dbraw/zinc/01/60/69/557016069.db2.gz YUPSZUQRCUTSNA-UHFFFAOYSA-N 0 0 433.965 2.920 50 0 IFAARN Cn1ncc2c1ncn(CC(=O)NC[C@@H](c1c[nH]c3ccccc31)c1ccccc1)c2=O ZINC000010700183 557019110 /nfs/dbraw/zinc/01/91/10/557019110.db2.gz HJOGVPGAAVKKED-GOSISDBHSA-N 0 0 426.480 2.560 50 0 IFAARN Cc1nn(CCC(=O)NCCCc2ccco2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000046004567 557019483 /nfs/dbraw/zinc/01/94/83/557019483.db2.gz MAJIRTISPHKAHJ-UHFFFAOYSA-N 0 0 436.578 2.653 50 0 IFAARN COc1ccc(CC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000010716526 557020557 /nfs/dbraw/zinc/02/05/57/557020557.db2.gz KVAWNSWWGLRXPD-UHFFFAOYSA-N 0 0 431.510 2.838 50 0 IFAARN CC(=O)N1CCSc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc21 ZINC000032943726 557021150 /nfs/dbraw/zinc/02/11/50/557021150.db2.gz NYMKCJWWSCAFJD-UHFFFAOYSA-N 0 0 431.583 2.652 50 0 IFAARN CC(C)Oc1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)cc1 ZINC000023139209 557021232 /nfs/dbraw/zinc/02/12/32/557021232.db2.gz INHRHDSFMCOAGI-QGZVFWFLSA-N 0 0 444.557 2.965 50 0 IFAARN O=C(CSc1nnc(N2CCN(C(=O)c3ccco3)CC2)s1)Nc1ccccc1 ZINC000023141619 557023510 /nfs/dbraw/zinc/02/35/10/557023510.db2.gz ZWYNFJWVPWGQOL-UHFFFAOYSA-N 0 0 429.527 2.824 50 0 IFAARN COc1ccc(CCC(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)cc1 ZINC000023139267 557023926 /nfs/dbraw/zinc/02/39/26/557023926.db2.gz OCLGIHCBQJUXRY-QGZVFWFLSA-N 0 0 444.557 2.505 50 0 IFAARN O=C(CSc1ccncc1)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2 ZINC000023139345 557024025 /nfs/dbraw/zinc/02/40/25/557024025.db2.gz FXMDKTHLECCLAS-UHFFFAOYSA-N 0 0 429.527 2.665 50 0 IFAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)c1ccc(Br)s1)C2=O ZINC000010758001 557024596 /nfs/dbraw/zinc/02/45/96/557024596.db2.gz SCYBWPOVJFHQOD-BMLIUANNSA-N 0 0 443.319 2.737 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 ZINC000023143064 557025027 /nfs/dbraw/zinc/02/50/27/557025027.db2.gz KNMHKORTPNMNFQ-UHFFFAOYSA-N 0 0 437.525 2.646 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCCc3ccco3)CC2)c1C ZINC000046046310 557026075 /nfs/dbraw/zinc/02/60/75/557026075.db2.gz BIRRZNYVADHNLA-UHFFFAOYSA-N 0 0 443.544 2.931 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)ccc1OC ZINC000010793692 557027350 /nfs/dbraw/zinc/02/73/50/557027350.db2.gz UCHZPNREYFAVJS-UHFFFAOYSA-N 0 0 443.477 2.555 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3cc(C)cc(C)c3)c(C)cc2NC1=O ZINC000046056185 557027470 /nfs/dbraw/zinc/02/74/70/557027470.db2.gz PXUOTIAAYGWBBE-GOSISDBHSA-N 0 0 445.541 2.981 50 0 IFAARN O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1Br ZINC000010834028 557032960 /nfs/dbraw/zinc/03/29/60/557032960.db2.gz AYLMASCJWCDZEZ-CYBMUJFWSA-N 0 0 427.320 2.670 50 0 IFAARN O=C(CSc1ncc(CO)n1CC(=O)NCc1ccccc1)Nc1ccccc1F ZINC000017179211 557038095 /nfs/dbraw/zinc/03/80/95/557038095.db2.gz MWVYSULDDISZCR-UHFFFAOYSA-N 0 0 428.489 2.562 50 0 IFAARN CC[C@@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O ZINC000032947216 557039114 /nfs/dbraw/zinc/03/91/14/557039114.db2.gz AJTFAPPQWZJZOY-GHMZBOCLSA-N 0 0 428.352 2.547 50 0 IFAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)NC[C@H]3CCCO3)c3ccccc32)C[C@H](C)O1 ZINC000017246630 557041759 /nfs/dbraw/zinc/04/17/59/557041759.db2.gz ABJGAKLODRWTJG-FGTMMUONSA-N 0 0 445.585 2.664 50 0 IFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000046145352 557043601 /nfs/dbraw/zinc/04/36/01/557043601.db2.gz AHWDAJSCZYBHRX-UHFFFAOYSA-N 0 0 427.526 2.689 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc([C@@H]4CCCO4)o3)cc2)C1 ZINC000017244933 557044053 /nfs/dbraw/zinc/04/40/53/557044053.db2.gz LZDURJFBXFJCPQ-VBQJREDUSA-N 0 0 434.518 2.840 50 0 IFAARN Cn1c2cc(NC(=O)c3ccco3)c(S(=O)(=O)c3ccc(F)cc3)cc2n(C)c1=O ZINC000046146047 557044353 /nfs/dbraw/zinc/04/43/53/557044353.db2.gz ZGGHBVWMQBTEMI-UHFFFAOYSA-N 0 0 429.429 2.694 50 0 IFAARN CCc1cc2c(ncn(NC(=O)c3nn(-c4ccccc4Cl)c(C)cc3=O)c2=O)s1 ZINC000017245300 557044402 /nfs/dbraw/zinc/04/44/02/557044402.db2.gz KCYAVUUDIXEDSU-UHFFFAOYSA-N 0 0 441.900 2.912 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)s1 ZINC000048237148 557047622 /nfs/dbraw/zinc/04/76/22/557047622.db2.gz YSLREWNJBXUUQB-UHFFFAOYSA-N 0 0 436.603 2.545 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000048237849 557047976 /nfs/dbraw/zinc/04/79/76/557047976.db2.gz WHFVPXVFVRFMRF-KRWDZBQOSA-N 0 0 440.523 2.998 50 0 IFAARN Cc1cc(C)n(-c2ccccc2NC(=O)NCCNS(=O)(=O)Cc2ccccc2)n1 ZINC000048229694 557048740 /nfs/dbraw/zinc/04/87/40/557048740.db2.gz MJEOAHDAFUEOQH-UHFFFAOYSA-N 0 0 427.530 2.730 50 0 IFAARN Cn1nnnc1-c1cccc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1 ZINC000048261586 557049572 /nfs/dbraw/zinc/04/95/72/557049572.db2.gz WSNWBRJTSGVMKI-UHFFFAOYSA-N 0 0 433.303 2.933 50 0 IFAARN CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)ccc1Cl ZINC000048263807 557050192 /nfs/dbraw/zinc/05/01/92/557050192.db2.gz FJZDLJWQKLVEKS-GOSISDBHSA-N 0 0 449.960 2.684 50 0 IFAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(CC(=O)N2CCc3sccc3C2)CC1 ZINC000022932402 557050537 /nfs/dbraw/zinc/05/05/37/557050537.db2.gz JXZFBLFERGXZLO-OAQYLSRUSA-N 0 0 447.988 2.818 50 0 IFAARN C[C@H](C(=O)NCc1ccccc1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000022933991 557051594 /nfs/dbraw/zinc/05/15/94/557051594.db2.gz LUNKFNFZQSNTSU-QGZVFWFLSA-N 0 0 448.489 2.966 50 0 IFAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2Cc2ccccc2)C[C@H](C)O1 ZINC000048254012 557052534 /nfs/dbraw/zinc/05/25/34/557052534.db2.gz NGODZMZVKPYIJB-ROUUACIJSA-N 0 0 431.558 2.838 50 0 IFAARN CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)s2)C1 ZINC000033275487 557053599 /nfs/dbraw/zinc/05/35/99/557053599.db2.gz BCGVFQBPNJWCHU-HNNXBMFYSA-N 0 0 444.623 2.939 50 0 IFAARN C[C@@H]1CN(CCNC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C[C@@H](C)O1 ZINC000022971069 557054962 /nfs/dbraw/zinc/05/49/62/557054962.db2.gz VWUDJHINTCWYMF-HUUCEWRRSA-N 0 0 429.521 2.974 50 0 IFAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCC[C@@H](c4nncn4C)C3)c2)c1C ZINC000048290468 557055025 /nfs/dbraw/zinc/05/50/25/557055025.db2.gz LNZFIOUBFQAHFQ-MRXNPFEDSA-N 0 0 437.504 2.897 50 0 IFAARN O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000022972202 557055351 /nfs/dbraw/zinc/05/53/51/557055351.db2.gz USZSDFMFBFKRGA-LJQANCHMSA-N 0 0 428.330 2.899 50 0 IFAARN COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(-c3noc(C)n3)ccc2C)cc1 ZINC000033276177 557055954 /nfs/dbraw/zinc/05/59/54/557055954.db2.gz GYYXEGMJFCRISO-CYBMUJFWSA-N 0 0 430.486 2.668 50 0 IFAARN CCn1c2ccccc2n(CC(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)c1=O ZINC000048275003 557055924 /nfs/dbraw/zinc/05/59/24/557055924.db2.gz DBHVASYGBHGWDS-UHFFFAOYSA-N 0 0 434.540 2.563 50 0 IFAARN Cc1ccnc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)c1 ZINC000033276231 557056431 /nfs/dbraw/zinc/05/64/31/557056431.db2.gz SBONRADCAZZOPR-CQSZACIVSA-N 0 0 441.513 2.931 50 0 IFAARN O=C(Cn1c2ccccc2n(C2=CCCCC2)c1=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000048275965 557056408 /nfs/dbraw/zinc/05/64/08/557056408.db2.gz SZRFQVQWUBTPBC-GOSISDBHSA-N 0 0 432.528 2.793 50 0 IFAARN Cc1ccnc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)c1 ZINC000033276232 557056492 /nfs/dbraw/zinc/05/64/92/557056492.db2.gz SBONRADCAZZOPR-AWEZNQCLSA-N 0 0 441.513 2.931 50 0 IFAARN CCCn1c2ccccc2n(CC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c1=O ZINC000048277281 557056615 /nfs/dbraw/zinc/05/66/15/557056615.db2.gz DWHXCLMYVZTJPT-UHFFFAOYSA-N 0 0 438.503 2.773 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c2cccnc2c(=O)n(Cc2ccccc2)c1=O ZINC000017316065 557056974 /nfs/dbraw/zinc/05/69/74/557056974.db2.gz AORZZMCRKRLMBD-UHFFFAOYSA-N 0 0 430.464 2.644 50 0 IFAARN Cc1oc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000048278289 557057183 /nfs/dbraw/zinc/05/71/83/557057183.db2.gz KALJWGCDZSTQFJ-UHFFFAOYSA-N 0 0 428.514 2.531 50 0 IFAARN COc1ccc2oc(C)c(C(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)c2c1 ZINC000048279805 557057420 /nfs/dbraw/zinc/05/74/20/557057420.db2.gz BFKSNCQKNWZELU-UHFFFAOYSA-N 0 0 444.509 2.701 50 0 IFAARN O=C(CCc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1)N1CCCCC1 ZINC000033276890 557057409 /nfs/dbraw/zinc/05/74/09/557057409.db2.gz NSFPXNQYCWWZNR-UHFFFAOYSA-N 0 0 432.546 2.856 50 0 IFAARN CCCCN(C)S(=O)(=O)c1cc(-c2c(CC)nn3c2NC(=O)CCC3=O)ccc1OC ZINC000033276749 557057521 /nfs/dbraw/zinc/05/75/21/557057521.db2.gz JXEYIXFMEIQARX-UHFFFAOYSA-N 0 0 448.545 2.914 50 0 IFAARN CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)N3CCCCC3)c1)NC(=O)CCC2=O ZINC000033276764 557057523 /nfs/dbraw/zinc/05/75/23/557057523.db2.gz ZINLXSXRIHTTRS-UHFFFAOYSA-N 0 0 446.529 2.668 50 0 IFAARN CCCCCCN(CCN1CCOCC1)C(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 ZINC000048285749 557057927 /nfs/dbraw/zinc/05/79/27/557057927.db2.gz CPQVHOBJHLYJMC-GOSISDBHSA-N 0 0 440.610 2.784 50 0 IFAARN CCOC(=O)Cc1cc(=O)oc2ccc(OC(=O)c3ccc(CCNC(C)=O)cc3)cc12 ZINC000048286285 557058071 /nfs/dbraw/zinc/05/80/71/557058071.db2.gz BNRNFWVGYJXCHE-UHFFFAOYSA-N 0 0 437.448 2.796 50 0 IFAARN CN(CC1CC1)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21 ZINC000048286423 557058483 /nfs/dbraw/zinc/05/84/83/557058483.db2.gz FJYSGLMNTULLHG-UHFFFAOYSA-N 0 0 429.473 2.950 50 0 IFAARN O=C(CSc1nnc(N2CCCC2)n1C[C@H]1CCCO1)N1CCc2ccccc2C1 ZINC000010876060 557059900 /nfs/dbraw/zinc/05/99/00/557059900.db2.gz NKAGPFVKVWUMMO-LJQANCHMSA-N 0 0 427.574 2.734 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)c2)no1 ZINC000033279153 557061374 /nfs/dbraw/zinc/06/13/74/557061374.db2.gz MQBYNTDGWHKNHM-CQSZACIVSA-N 0 0 438.575 2.956 50 0 IFAARN COc1ccc(C(=O)NCCNC(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)cc1 ZINC000048300038 557061994 /nfs/dbraw/zinc/06/19/94/557061994.db2.gz CGOXUIQMOTYBEM-UHFFFAOYSA-N 0 0 442.466 2.865 50 0 IFAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)C1 ZINC000048301240 557062649 /nfs/dbraw/zinc/06/26/49/557062649.db2.gz ZRTCZEZRXFZITE-KRWDZBQOSA-N 0 0 447.513 2.540 50 0 IFAARN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)Nc1ccc(Br)cc1 ZINC000048302720 557064030 /nfs/dbraw/zinc/06/40/30/557064030.db2.gz BOFIKHYGYVRJKI-SFHVURJKSA-N 0 0 428.286 2.863 50 0 IFAARN COc1cc(CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)cc(OC)c1OC ZINC000048302858 557064452 /nfs/dbraw/zinc/06/44/52/557064452.db2.gz HITONYRULVSYIE-QGZVFWFLSA-N 0 0 434.436 2.934 50 0 IFAARN CCNC(=O)COc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2OCC)C(C)C)cc1 ZINC000023139070 557067188 /nfs/dbraw/zinc/06/71/88/557067188.db2.gz AMDYEIDGSQMAKJ-QFIPXVFZSA-N 0 0 441.528 2.993 50 0 IFAARN COc1cc(N2C[C@@H](C(=O)Nc3cccc(-c4nnco4)c3)CC2=O)cc(OC)c1OC ZINC000023146663 557068567 /nfs/dbraw/zinc/06/85/67/557068567.db2.gz XTWMPKRIYCZGFQ-AWEZNQCLSA-N 0 0 438.440 2.754 50 0 IFAARN COc1ccc(CN(Cc2nc(Cc3ccccc3)no2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000048326543 557068761 /nfs/dbraw/zinc/06/87/61/557068761.db2.gz GVOZDFUUPMXCGP-LJQANCHMSA-N 0 0 427.526 2.858 50 0 IFAARN O=C(Nc1cccc(Cn2cccnc2=O)c1)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000048326477 557068792 /nfs/dbraw/zinc/06/87/92/557068792.db2.gz OMOQMXBBTDMHKP-NRFANRHFSA-N 0 0 431.496 2.777 50 0 IFAARN O=C(NCc1ccc(F)cc1)C1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000048331774 557069538 /nfs/dbraw/zinc/06/95/38/557069538.db2.gz FCUJURBNPUXENB-UHFFFAOYSA-N 0 0 441.507 2.618 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000048354167 557072555 /nfs/dbraw/zinc/07/25/55/557072555.db2.gz SDAHTGUDDOSOKS-INIZCTEOSA-N 0 0 437.479 2.583 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000048355593 557074019 /nfs/dbraw/zinc/07/40/19/557074019.db2.gz QOTCQBOLSYZAKS-UHFFFAOYSA-N 0 0 428.283 2.963 50 0 IFAARN COc1ccccc1OCCNC(=O)Cn1ccc2c(c(C)nn2-c2ccccc2)c1=O ZINC000033298795 557074966 /nfs/dbraw/zinc/07/49/66/557074966.db2.gz DRCVDHRZSHHJCC-UHFFFAOYSA-N 0 0 432.480 2.699 50 0 IFAARN O=C(NCCCc1ccccc1)c1nc(Cn2nc(-c3ccc(F)cc3)ccc2=O)no1 ZINC000033292465 557075687 /nfs/dbraw/zinc/07/56/87/557075687.db2.gz CQACYMUUHVZDRN-UHFFFAOYSA-N 0 0 433.443 2.843 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1C ZINC000004748705 557076682 /nfs/dbraw/zinc/07/66/82/557076682.db2.gz SXYJWZNWOQKBFP-UHFFFAOYSA-N 0 0 429.586 2.786 50 0 IFAARN CCOc1ccccc1-c1nn(CN2CCN(CC(=O)NCC(C)C)CC2)c(=S)o1 ZINC000023257165 557079466 /nfs/dbraw/zinc/07/94/66/557079466.db2.gz XDQNYQVDVSASOV-UHFFFAOYSA-N 0 0 433.578 2.619 50 0 IFAARN CCc1ccccc1NC(=O)CN1CCN(CC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000023256820 557079558 /nfs/dbraw/zinc/07/95/58/557079558.db2.gz VWOIFSLJPAQSMG-UHFFFAOYSA-N 0 0 447.583 2.645 50 0 IFAARN COc1ccc(-n2ccc(=O)c(-c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)n2)cc1 ZINC000033300417 557080038 /nfs/dbraw/zinc/08/00/38/557080038.db2.gz WDCJDUCDXZLTKY-UHFFFAOYSA-N 0 0 436.424 2.984 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@@H]1CC ZINC000023259626 557080528 /nfs/dbraw/zinc/08/05/28/557080528.db2.gz AYRZSPSDYXEGOS-AEFFLSMTSA-N 0 0 429.517 2.893 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)NCC(C)C)CC2)c1 ZINC000049001730 557081128 /nfs/dbraw/zinc/08/11/28/557081128.db2.gz QVKKNTOHKDECGY-UHFFFAOYSA-N 0 0 437.587 2.653 50 0 IFAARN CSc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000010895171 557082108 /nfs/dbraw/zinc/08/21/08/557082108.db2.gz KLBMQHIPEKUFLH-QGZVFWFLSA-N 0 0 434.539 2.972 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1nc2ccc(C(=O)NCc3ccccc3)cn2c1=O ZINC000048986124 557082342 /nfs/dbraw/zinc/08/23/42/557082342.db2.gz GABGTEWRTDEFMQ-UHFFFAOYSA-N 0 0 443.507 2.936 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(N1CCN(c3ccccn3)CC1)n(-c1ccccc1)c2=O ZINC000049006417 557085095 /nfs/dbraw/zinc/08/50/95/557085095.db2.gz AZJKMXIAIMUMBY-UHFFFAOYSA-N 0 0 441.491 2.894 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)cc1OC ZINC000049008595 557086569 /nfs/dbraw/zinc/08/65/69/557086569.db2.gz IUEHNNCQVWUMLE-UHFFFAOYSA-N 0 0 435.440 2.648 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000010905426 557088465 /nfs/dbraw/zinc/08/84/65/557088465.db2.gz CFTOFXSYPXJCPC-INIZCTEOSA-N 0 0 444.532 2.671 50 0 IFAARN CCN(CC)c1nc2ccsc2c(=O)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000033308731 557089822 /nfs/dbraw/zinc/08/98/22/557089822.db2.gz UIDYZNQLBQXAEO-UHFFFAOYSA-N 0 0 425.558 2.653 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000023425305 557092131 /nfs/dbraw/zinc/09/21/31/557092131.db2.gz MFALPZZQKHZBLO-UHFFFAOYSA-N 0 0 436.434 2.578 50 0 IFAARN CCN(c1ccsc1C(=O)N1CCC2(CC1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000049004205 557092262 /nfs/dbraw/zinc/09/22/62/557092262.db2.gz KCVQNRFKNYVAOK-UHFFFAOYSA-N 0 0 436.555 2.942 50 0 IFAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1Cl ZINC000113026414 557092882 /nfs/dbraw/zinc/09/28/82/557092882.db2.gz DOEVCIHTTTYVCC-GOSISDBHSA-N 0 0 440.887 2.731 50 0 in-vitro IFAARN Cc1cc(C)cc(NC(=O)Cn2nc3c4sc(N5CCCCC5)nc4ncn3c2=O)c1 ZINC000033309279 557093025 /nfs/dbraw/zinc/09/30/25/557093025.db2.gz SFEFXHPRPKHCLM-UHFFFAOYSA-N 0 0 437.529 2.747 50 0 IFAARN Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000023486610 557094906 /nfs/dbraw/zinc/09/49/06/557094906.db2.gz UGLAYKNEGPUADV-UHFFFAOYSA-N 0 0 449.551 2.920 50 0 IFAARN COc1cccc(-c2noc(Cn3nc4ccc(-c5ccccc5)nn4c3=O)n2)c1OC ZINC000049399459 557095365 /nfs/dbraw/zinc/09/53/65/557095365.db2.gz XRWWNLPITCOGQR-UHFFFAOYSA-N 0 0 430.424 2.674 50 0 IFAARN CCn1cc(C(=O)NCc2ccc(F)cc2F)c(S(=O)(=O)N2CCC(C)CC2)n1 ZINC000049400647 557095870 /nfs/dbraw/zinc/09/58/70/557095870.db2.gz ZGMGLHNRSNQVJU-UHFFFAOYSA-N 0 0 426.489 2.532 50 0 IFAARN COc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccc(C)cc3)NC2=O)cc1OC ZINC000049402899 557098295 /nfs/dbraw/zinc/09/82/95/557098295.db2.gz ZWVSAONHFCQJNM-NRFANRHFSA-N 0 0 437.452 2.528 50 0 IFAARN Cc1cc2nc(C)c(CCC(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)c(C)n2n1 ZINC000023561747 557098732 /nfs/dbraw/zinc/09/87/32/557098732.db2.gz CQCHRKFZHHAKCK-QFIPXVFZSA-N 0 0 439.535 2.916 50 0 IFAARN NS(=O)(=O)c1ccc(Br)c(C(=O)OCCOc2ccc(Cl)cc2)c1 ZINC000023593226 557100204 /nfs/dbraw/zinc/10/02/04/557100204.db2.gz ZBAOHOFLXIEFSI-UHFFFAOYSA-N 0 0 434.695 2.986 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(S[C@H](C)C(=O)Nc3cccnc3)n2C)cc1 ZINC000072191633 557100749 /nfs/dbraw/zinc/10/07/49/557100749.db2.gz QWELFYLHYFFNGH-CYBMUJFWSA-N 0 0 426.502 2.519 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(S[C@@H](C)C(=O)Nc2cccnc2)n1C ZINC000072191634 557100769 /nfs/dbraw/zinc/10/07/69/557100769.db2.gz YJYDFILDPRXEJC-ZDUSSCGKSA-N 0 0 426.502 2.519 50 0 IFAARN COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c(OC)c1 ZINC000049405958 557100960 /nfs/dbraw/zinc/10/09/60/557100960.db2.gz LBOFBJSCNGLHPQ-UHFFFAOYSA-N 0 0 449.511 2.628 50 0 IFAARN CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000072191683 557101050 /nfs/dbraw/zinc/10/10/50/557101050.db2.gz QBJXCLAVMIDPJF-GFCCVEGCSA-N 0 0 446.558 2.985 50 0 IFAARN Cc1cc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 ZINC000085420741 557101653 /nfs/dbraw/zinc/10/16/53/557101653.db2.gz DIWBIBLNZXIFIW-MCNSXXNHSA-N 0 0 434.279 2.893 50 0 IFAARN CCOc1ccc(NC(=O)Cn2nc3cc(-c4ccc(OC)cc4)nc(C)n3c2=O)cc1 ZINC000049407179 557102503 /nfs/dbraw/zinc/10/25/03/557102503.db2.gz RYMKUHYEJFOYTC-UHFFFAOYSA-N 0 0 433.468 2.912 50 0 IFAARN CCOc1cc(=O)c(C(=O)N2CCc3ccccc3C2)nn1-c1cc(OC)cc(OC)c1 ZINC000049407618 557102822 /nfs/dbraw/zinc/10/28/22/557102822.db2.gz YWLHYOFMOFQFQL-UHFFFAOYSA-N 0 0 435.480 2.847 50 0 IFAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3[nH]c(C)c(C(=O)OC)c3C)C2)cc1 ZINC000085621293 557102840 /nfs/dbraw/zinc/10/28/40/557102840.db2.gz OYLITDRHBVMHIM-SFHVURJKSA-N 0 0 441.528 2.985 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1=O ZINC000023656584 557103787 /nfs/dbraw/zinc/10/37/87/557103787.db2.gz YYRUYIFNEZEKBC-UHFFFAOYSA-N 0 0 442.438 2.591 50 0 IFAARN CC1CCN(S(=O)(=O)c2cccn(CC(=O)Nc3ccc(F)cc3Cl)c2=O)CC1 ZINC000049409142 557104054 /nfs/dbraw/zinc/10/40/54/557104054.db2.gz NWJRCRJYHQQUJT-UHFFFAOYSA-N 0 0 441.912 2.700 50 0 IFAARN CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1=O ZINC000049409840 557105290 /nfs/dbraw/zinc/10/52/90/557105290.db2.gz VPZGNXPCZSHTGT-UHFFFAOYSA-N 0 0 447.948 2.562 50 0 IFAARN C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)C2=O ZINC000023674664 557105304 /nfs/dbraw/zinc/10/53/04/557105304.db2.gz BMPBHAKRMSTRSE-CMJOXMDJSA-N 0 0 442.516 2.524 50 0 IFAARN CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccc(C)cc3C)CC2)c1=O ZINC000049409856 557105332 /nfs/dbraw/zinc/10/53/32/557105332.db2.gz GFDOGRWKFAGCRK-UHFFFAOYSA-N 0 0 441.557 2.526 50 0 IFAARN COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2ccc(F)cc2N3C)cc(OC)c1OC ZINC000049410052 557105526 /nfs/dbraw/zinc/10/55/26/557105526.db2.gz FXCRXYYONVKAMK-UHFFFAOYSA-N 0 0 443.475 2.664 50 0 IFAARN COc1cccc(-c2nc3n(c2C(=O)NCc2cccc(Cl)c2)CCS3(=O)=O)c1 ZINC000086069364 557108035 /nfs/dbraw/zinc/10/80/35/557108035.db2.gz IXGTUIVQYJZYPO-UHFFFAOYSA-N 0 0 431.901 2.929 50 0 IFAARN O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(C(F)(F)F)nc1 ZINC000585147680 557108442 /nfs/dbraw/zinc/10/84/42/557108442.db2.gz QQJNALXXAZXVNV-UHFFFAOYSA-N 0 0 426.420 2.564 50 0 IFAARN CSc1cccc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)c1 ZINC000049421703 557108454 /nfs/dbraw/zinc/10/84/54/557108454.db2.gz KGGQPUNPDXGFQJ-UHFFFAOYSA-N 0 0 433.486 2.576 50 0 IFAARN O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)N1CCN(c2ccccn2)CC1 ZINC000049448529 557109608 /nfs/dbraw/zinc/10/96/08/557109608.db2.gz UCDCCWRIYASBBC-UHFFFAOYSA-N 0 0 449.540 2.567 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)C3CCN(c4cc5c(nn4)CCC5)CC3)CC2)cc1 ZINC000585150586 557110254 /nfs/dbraw/zinc/11/02/54/557110254.db2.gz UUDAPVBLEWQKTF-UHFFFAOYSA-N 0 0 433.556 2.733 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)[C@@H]2CC=CCC2)c1 ZINC000023730950 557111622 /nfs/dbraw/zinc/11/16/22/557111622.db2.gz OLHIAJKVYDMAAS-GOSISDBHSA-N 0 0 434.606 2.764 50 0 IFAARN COc1ccc(CCNC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)cc1OC ZINC000049548126 557112352 /nfs/dbraw/zinc/11/23/52/557112352.db2.gz OMVYRUJDHGOQLD-UHFFFAOYSA-N 0 0 427.888 2.940 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000049548167 557112425 /nfs/dbraw/zinc/11/24/25/557112425.db2.gz BEQLFJKKXMIGCR-OAQYLSRUSA-N 0 0 445.567 2.707 50 0 IFAARN CCCCOC(=O)Cn1c(=O)c2nc3cc(-c4ccc(F)cc4F)oc3nc2n(C)c1=O ZINC000585152488 557113015 /nfs/dbraw/zinc/11/30/15/557113015.db2.gz PFYQZLUQVIHCGH-UHFFFAOYSA-N 0 0 444.394 2.525 50 0 IFAARN CC(=O)c1c(C)cc(C)c(CNc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1C ZINC000060742156 557113722 /nfs/dbraw/zinc/11/37/22/557113722.db2.gz VZHOTLQQUWQVHE-UHFFFAOYSA-N 0 0 429.542 2.547 50 0 IFAARN O=C(Cn1c(=O)ccn(Cc2cccc(F)c2)c1=O)Nc1ccc(Br)cc1 ZINC000033331213 557114897 /nfs/dbraw/zinc/11/48/97/557114897.db2.gz WPLVLZGVVUOIKJ-UHFFFAOYSA-N 0 0 432.249 2.599 50 0 IFAARN Cc1cc(C)n(-c2nncn2NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)n1 ZINC000049622813 557115537 /nfs/dbraw/zinc/11/55/37/557115537.db2.gz NPTZPFAPKUCCNR-UHFFFAOYSA-N 0 0 443.511 2.856 50 0 IFAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1CCCN1CCOCC1 ZINC000033331707 557115547 /nfs/dbraw/zinc/11/55/47/557115547.db2.gz WCSITVBYYWOENE-HSZRJFAPSA-N 0 0 444.601 2.698 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000010929796 557116045 /nfs/dbraw/zinc/11/60/45/557116045.db2.gz QZMVFVVWVJQKQM-AWEZNQCLSA-N 0 0 429.498 2.872 50 0 IFAARN COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/N(C)C)C1 ZINC000049694064 557117875 /nfs/dbraw/zinc/11/78/75/557117875.db2.gz ATYXYJPBRLRACX-SICOMBFOSA-N 0 0 448.545 2.563 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000049694072 557118012 /nfs/dbraw/zinc/11/80/12/557118012.db2.gz CPJQJSPPDAZDHB-OUKQBFOZSA-N 0 0 438.594 2.755 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C(=O)/C=C\c2ccc3c(c2)OCO3)CC1 ZINC000033335526 557118685 /nfs/dbraw/zinc/11/86/85/557118685.db2.gz XSSVSFCKPZNHNG-KYPMKJFLSA-N 0 0 434.448 2.541 50 0 IFAARN O=S(=O)(c1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)nc1)N1CCCCC1 ZINC000023845688 557120261 /nfs/dbraw/zinc/12/02/61/557120261.db2.gz RJWZKSKUAWNQHE-UHFFFAOYSA-N 0 0 442.585 2.513 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)N2C[C@H](C)C[C@H](C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000017780661 557121585 /nfs/dbraw/zinc/12/15/85/557121585.db2.gz RANFALVLDVGJJU-CALCHBBNSA-N 0 0 436.574 2.831 50 0 IFAARN O=S(=O)(c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc1)N1CCOCC1 ZINC000023873175 557122014 /nfs/dbraw/zinc/12/20/14/557122014.db2.gz SCLIXAOLOYIWQA-LJQANCHMSA-N 0 0 445.541 2.605 50 0 IFAARN Cc1c(NC(=O)CN2CCN(C/C=C\c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000033344342 557122348 /nfs/dbraw/zinc/12/23/48/557122348.db2.gz IQCSEZKQDIQIHX-XFXZXTDPSA-N 0 0 445.567 2.754 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)NN1 ZINC000000631873 557123056 /nfs/dbraw/zinc/12/30/56/557123056.db2.gz RRXSANOWNIKJIX-VGSWGCGISA-N 0 0 441.871 2.646 50 0 IFAARN COc1ccc(CN(C(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C2CC2)cc1 ZINC000023247714 557124530 /nfs/dbraw/zinc/12/45/30/557124530.db2.gz FUBMAKRMJAEJOR-UHFFFAOYSA-N 0 0 435.568 2.939 50 0 IFAARN COc1ccc(CN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C2CC2)cc1 ZINC000023925661 557125950 /nfs/dbraw/zinc/12/59/50/557125950.db2.gz DYMJSJDWVQNSQZ-UHFFFAOYSA-N 0 0 439.331 2.910 50 0 IFAARN O=C(NCc1ccc([C@@H](O)c2ccco2)s1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000206688398 557126571 /nfs/dbraw/zinc/12/65/71/557126571.db2.gz UFPBPDRTYSNJQD-FQEVSTJZSA-N 0 0 439.493 2.805 50 0 IFAARN O=C(NCc1ccc(C(=O)c2ccsc2)s1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000206681677 557126604 /nfs/dbraw/zinc/12/66/04/557126604.db2.gz CIGIYUKLIGLGJQ-UHFFFAOYSA-N 0 0 428.491 2.702 50 0 IFAARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000017908833 557128218 /nfs/dbraw/zinc/12/82/18/557128218.db2.gz QVPMYLJQKVQPCR-UHFFFAOYSA-N 0 0 444.431 2.741 50 0 IFAARN COc1ccc2c(CC(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)coc2c1 ZINC000017912403 557128402 /nfs/dbraw/zinc/12/84/02/557128402.db2.gz AKONXETVKWJWLR-UHFFFAOYSA-N 0 0 437.496 2.918 50 0 IFAARN CCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CC[C@H](CC)C3)c(=O)[nH]c1=O ZINC000024005967 557131534 /nfs/dbraw/zinc/13/15/34/557131534.db2.gz JFUOAAAXYBIPOG-AWEZNQCLSA-N 0 0 448.589 2.789 50 0 IFAARN COc1cc(OC)cc([C@H](NC(=O)CCNC(=O)Nc2ccccc2)c2nccn2C)c1 ZINC000024022379 557131880 /nfs/dbraw/zinc/13/18/80/557131880.db2.gz WUQSSHLMBSZXKS-NRFANRHFSA-N 0 0 437.500 2.855 50 0 IFAARN COc1cc(OC)cc([C@H](NC(=O)CSc2nc(C)cc(C)n2)c2nccn2C)c1 ZINC000024021683 557131954 /nfs/dbraw/zinc/13/19/54/557131954.db2.gz GYVKTVWQVVHLFH-IBGZPJMESA-N 0 0 427.530 2.842 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC000017975716 557135941 /nfs/dbraw/zinc/13/59/41/557135941.db2.gz NGLOXRWEIJAZGM-UHFFFAOYSA-N 0 0 440.887 2.914 50 0 IFAARN O=C(CN1CCN(c2ccccc2O)CC1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000024193345 557140410 /nfs/dbraw/zinc/14/04/10/557140410.db2.gz AVZGCLOOWRPBEQ-UHFFFAOYSA-N 0 0 428.964 2.512 50 0 IFAARN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(C(=O)N2CCOCC2)CC1 ZINC000024251906 557142079 /nfs/dbraw/zinc/14/20/79/557142079.db2.gz FPMHGBONYXAWSC-CYBMUJFWSA-N 0 0 448.873 2.756 50 0 IFAARN C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)NC1CCCC1 ZINC000011411127 557142596 /nfs/dbraw/zinc/14/25/96/557142596.db2.gz BYJDXJXPQPCIIY-CQSZACIVSA-N 0 0 426.510 2.604 50 0 IFAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)c(OC)c1 ZINC000002469145 557144069 /nfs/dbraw/zinc/14/40/69/557144069.db2.gz JVMBOQCCKRLMMZ-UHFFFAOYSA-N 0 0 449.348 2.787 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000024394956 557146208 /nfs/dbraw/zinc/14/62/08/557146208.db2.gz ZZJPVIYZUPMQPF-INIZCTEOSA-N 0 0 446.960 2.910 50 0 IFAARN CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccn(C)n1 ZINC000024478582 557148000 /nfs/dbraw/zinc/14/80/00/557148000.db2.gz IAJPRJXSAKRXJR-GFCCVEGCSA-N 0 0 437.374 2.766 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1cc(F)ccc1Br ZINC000222047800 557149188 /nfs/dbraw/zinc/14/91/88/557149188.db2.gz UIDAWKUKBGOQFM-DZKIICNBSA-N 0 0 430.343 2.930 50 0 IFAARN O=C(c1cc(Br)ccc1O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011450763 557149510 /nfs/dbraw/zinc/14/95/10/557149510.db2.gz JLFZSBAQUHXJOJ-UHFFFAOYSA-N 0 0 445.360 2.799 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)c1 ZINC000024527406 557150077 /nfs/dbraw/zinc/15/00/77/557150077.db2.gz FOAFEWZMOPXKAH-UHFFFAOYSA-N 0 0 446.960 2.700 50 0 IFAARN CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000072289165 557150393 /nfs/dbraw/zinc/15/03/93/557150393.db2.gz NAGCIUHWWXJAHU-CYBMUJFWSA-N 0 0 446.891 2.745 50 0 IFAARN COC(=O)c1sccc1S(=O)(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000043957268 557154164 /nfs/dbraw/zinc/15/41/64/557154164.db2.gz BNVRLJQXACHIST-UHFFFAOYSA-N 0 0 438.527 2.724 50 0 IFAARN COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 ZINC000024611540 557155129 /nfs/dbraw/zinc/15/51/29/557155129.db2.gz HAXOAOVYFARVGW-UHFFFAOYSA-N 0 0 430.526 2.962 50 0 IFAARN COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 ZINC000024612293 557155480 /nfs/dbraw/zinc/15/54/80/557155480.db2.gz ZMUKHXIMAMLCEB-UHFFFAOYSA-N 0 0 430.526 2.962 50 0 IFAARN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2nnc(C)s2)n1C ZINC000006600659 557156410 /nfs/dbraw/zinc/15/64/10/557156410.db2.gz AWQMRTFAYWOECG-UHFFFAOYSA-N 0 0 434.547 2.992 50 0 IFAARN Cc1cc(=O)c(C(=O)NC2CCN(C(=O)c3ccco3)CC2)nn1-c1ccccc1Cl ZINC000011529839 557159965 /nfs/dbraw/zinc/15/99/65/557159965.db2.gz JIWGNXVYMZRKFV-UHFFFAOYSA-N 0 0 440.887 2.822 50 0 IFAARN O=C(NCc1ccccc1OC(F)F)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000024747396 557161653 /nfs/dbraw/zinc/16/16/53/557161653.db2.gz NZYKOJIZBCCBRY-INIZCTEOSA-N 0 0 440.468 2.675 50 0 IFAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N3CCCC3)c1)CS2 ZINC000024761170 557164323 /nfs/dbraw/zinc/16/43/23/557164323.db2.gz CHDDOQBFQAKASW-KBXCAEBGSA-N 0 0 443.978 2.517 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000024767182 557165254 /nfs/dbraw/zinc/16/52/54/557165254.db2.gz VNBCAJGYVZPHAU-UHFFFAOYSA-N 0 0 428.963 2.780 50 0 IFAARN C[C@H](C(=O)Nc1ccccc1-c1cn2ccccc2n1)n1nc(-n2cccn2)ccc1=O ZINC000206900237 557165735 /nfs/dbraw/zinc/16/57/35/557165735.db2.gz BADAEKIVYHXNIZ-MRXNPFEDSA-N 0 0 425.452 2.943 50 0 IFAARN COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCC(Oc2cc(C)oc(=O)c2)CC1 ZINC000206974813 557168558 /nfs/dbraw/zinc/16/85/58/557168558.db2.gz NAXHSBXXIYFEIW-UHFFFAOYSA-N 0 0 436.464 2.791 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)c3ccccc3)CC2)o1 ZINC000024864444 557174857 /nfs/dbraw/zinc/17/48/57/557174857.db2.gz NSECRVRBNMYDGU-UHFFFAOYSA-N 0 0 434.514 2.910 50 0 IFAARN COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000000780438 557175666 /nfs/dbraw/zinc/17/56/66/557175666.db2.gz ZCZNUHDGJBABKK-UHFFFAOYSA-N 0 0 426.469 2.981 50 0 IFAARN COc1ccc(CN2CCN(S(=O)(=O)c3cc(NC(C)=O)ccc3C)CC2)cc1F ZINC000024978038 557184851 /nfs/dbraw/zinc/18/48/51/557184851.db2.gz FULJFMAHJKXTFR-UHFFFAOYSA-N 0 0 435.521 2.608 50 0 IFAARN CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000009263950 557185240 /nfs/dbraw/zinc/18/52/40/557185240.db2.gz YHXQGNOLOONXQG-NSHDSACASA-N 0 0 431.547 2.680 50 0 IFAARN CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000009263910 557185244 /nfs/dbraw/zinc/18/52/44/557185244.db2.gz PDHAQZYUGDXWEL-JTQLQIEISA-N 0 0 449.537 2.819 50 0 IFAARN COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000024980702 557185282 /nfs/dbraw/zinc/18/52/82/557185282.db2.gz IPFFBMKANSLYFR-IAQYHMDHSA-N 0 0 433.313 2.694 50 0 IFAARN Cc1nc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)sc1C ZINC000009302344 557185402 /nfs/dbraw/zinc/18/54/02/557185402.db2.gz JEMVGNSZWGCDOV-UHFFFAOYSA-N 0 0 434.522 2.688 50 0 IFAARN CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000024985576 557186181 /nfs/dbraw/zinc/18/61/81/557186181.db2.gz RMSJMHFEHJYAIL-LRDDRELGSA-N 0 0 446.447 2.796 50 0 IFAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)CC(F)(F)F)C2=O)cc(OC)c1OC ZINC000025050560 557191359 /nfs/dbraw/zinc/19/13/59/557191359.db2.gz QEERGXKGLJMKIK-JYRVWZFOSA-N 0 0 448.419 2.817 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1S[C@H](C)c1nc(C)no1 ZINC000025060719 557193127 /nfs/dbraw/zinc/19/31/27/557193127.db2.gz UVSVVGZSCXTSQA-GFCCVEGCSA-N 0 0 437.547 2.622 50 0 IFAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000025063219 557193537 /nfs/dbraw/zinc/19/35/37/557193537.db2.gz GLGJQAUHHPEVLE-AWEZNQCLSA-N 0 0 442.463 2.791 50 0 IFAARN O=C(NCc1c(F)cc(F)cc1F)[C@H]1[C@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@@H]1O3 ZINC000096286726 557193939 /nfs/dbraw/zinc/19/39/39/557193939.db2.gz GYHSVLXCCCJYPR-NYUBLWNDSA-N 0 0 434.439 2.764 50 0 IFAARN O=C([O-])[C@H](NC(=O)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1 ZINC000025107266 557195519 /nfs/dbraw/zinc/19/55/19/557195519.db2.gz NTLOSRFHIIJIAF-PCHILHPBSA-N 0 0 449.551 2.566 50 0 IFAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)[C@@H]1COc2ccccc2O1 ZINC000100873113 557195935 /nfs/dbraw/zinc/19/59/35/557195935.db2.gz XPFAHBBTQLGGGV-NKWDDMGQSA-N 0 0 427.482 2.575 50 0 IFAARN O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1cc(F)ccc1Br ZINC000025133503 557196196 /nfs/dbraw/zinc/19/61/96/557196196.db2.gz ARHXJJVXOAFJOW-UHFFFAOYSA-N 0 0 435.702 2.950 50 0 IFAARN O=C(Nc1nnc([C@@H]2CCCO2)o1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000010971720 557197264 /nfs/dbraw/zinc/19/72/64/557197264.db2.gz TXXVPVRILZKAOK-MNOVXSKESA-N 0 0 446.938 2.675 50 0 IFAARN COC(=O)C1(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CCCCC1 ZINC000025172183 557198620 /nfs/dbraw/zinc/19/86/20/557198620.db2.gz PIUHDQINIXCXFJ-HSZRJFAPSA-N 0 0 437.496 2.599 50 0 IFAARN CC[C@H](C(=O)NCCOC)n1c2ccc(C)cc2c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000096318304 557199150 /nfs/dbraw/zinc/19/91/50/557199150.db2.gz JZPLZCKCJJRKHC-GOSISDBHSA-N 0 0 429.904 2.828 50 0 IFAARN O=C(CCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1F ZINC000024896637 557199270 /nfs/dbraw/zinc/19/92/70/557199270.db2.gz YGWFEOWAWFEJFR-UHFFFAOYSA-N 0 0 443.903 2.953 50 0 IFAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000025189091 557199408 /nfs/dbraw/zinc/19/94/08/557199408.db2.gz TWGYAONTVPNWCP-UHFFFAOYSA-N 0 0 446.887 2.916 50 0 IFAARN CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000025261150 557201529 /nfs/dbraw/zinc/20/15/29/557201529.db2.gz JNZAEQUMORBIFL-GTNSWQLSSA-N 0 0 440.472 2.787 50 0 IFAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccnc(N2CCOCC2)c1)c1ccccc1 ZINC000025290415 557202730 /nfs/dbraw/zinc/20/27/30/557202730.db2.gz VAPICHTUTSYZMB-HSZRJFAPSA-N 0 0 444.535 2.576 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1)n1cncn1 ZINC000025294482 557203201 /nfs/dbraw/zinc/20/32/01/557203201.db2.gz TVGNOIRGNZEJPO-AWEZNQCLSA-N 0 0 439.497 2.980 50 0 IFAARN Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)n1C ZINC000025318938 557203447 /nfs/dbraw/zinc/20/34/47/557203447.db2.gz FTZGBWUWSTZBIH-UHFFFAOYSA-N 0 0 440.363 2.811 50 0 IFAARN C[C@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000025339139 557204781 /nfs/dbraw/zinc/20/47/81/557204781.db2.gz BBSMPINLNMSYNB-WXHSDQCUSA-N 0 0 444.841 2.622 50 0 IFAARN Cc1cc(=O)c(C(=O)NCc2cccc(C(N)=O)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000025333517 557204930 /nfs/dbraw/zinc/20/49/30/557204930.db2.gz FCZWLIGXHGNWLQ-UHFFFAOYSA-N 0 0 430.386 2.589 50 0 IFAARN CCOC(=O)C1CCN(C(=O)COC(=O)c2c(C)c(C)sc2NC(=O)C2CC2)CC1 ZINC000025444232 557209925 /nfs/dbraw/zinc/20/99/25/557209925.db2.gz FCIXYQYVSXEPMD-UHFFFAOYSA-N 0 0 436.530 2.672 50 0 IFAARN CCCn1c2nc(-c3ccc(C(C)(C)C)cc3)n(CCN3CCOCC3)c2c(=O)[nH]c1=O ZINC000025460518 557211057 /nfs/dbraw/zinc/21/10/57/557211057.db2.gz YXENKFAZBVNWGV-UHFFFAOYSA-N 0 0 439.560 2.593 50 0 IFAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3c(C)cccc3C)c(=O)n3c2CCCCC3)no1 ZINC000169763961 557211438 /nfs/dbraw/zinc/21/14/38/557211438.db2.gz XEEWQHUIPGDYHD-UHFFFAOYSA-N 0 0 437.500 2.604 50 0 IFAARN COc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c(OC)cc1Cl ZINC000170623938 557217525 /nfs/dbraw/zinc/21/75/25/557217525.db2.gz YTPGKAVIZFLUGS-UHFFFAOYSA-N 0 0 426.922 2.877 50 0 IFAARN O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000025609040 557219049 /nfs/dbraw/zinc/21/90/49/557219049.db2.gz IQSFLOFZQRIWFZ-JOCHJYFZSA-N 0 0 431.540 2.930 50 0 IFAARN COc1cc(C(=O)N[C@@H]2CCSc3ccccc32)ccc1OCC(=O)N1CCOCC1 ZINC000025607327 557219121 /nfs/dbraw/zinc/21/91/21/557219121.db2.gz JFXSVBASBCMCKQ-GOSISDBHSA-N 0 0 442.537 2.900 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2)cc1OC ZINC000000802842 557220975 /nfs/dbraw/zinc/22/09/75/557220975.db2.gz FIKQVMCLJNNZIX-UHFFFAOYSA-N 0 0 430.482 2.809 50 0 IFAARN COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)CC1=O ZINC000025670295 557221335 /nfs/dbraw/zinc/22/13/35/557221335.db2.gz GCHJBJYDMBRUQP-CYBMUJFWSA-N 0 0 435.477 2.506 50 0 IFAARN C[C@H](OC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)C(=O)NC1CCCCCC1 ZINC000025731799 557223813 /nfs/dbraw/zinc/22/38/13/557223813.db2.gz GCVOYEFPLIJPDS-VBURHUQHSA-N 0 0 435.565 2.894 50 0 IFAARN O=C(COC(=O)COc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000010731684 557224321 /nfs/dbraw/zinc/22/43/21/557224321.db2.gz VRHZUZSJZAQXNA-UHFFFAOYSA-N 0 0 446.525 2.812 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1nc2c(s1)CCC2 ZINC000025767580 557225142 /nfs/dbraw/zinc/22/51/42/557225142.db2.gz UHYXVFOHHCKPEG-UHFFFAOYSA-N 0 0 430.349 2.701 50 0 IFAARN Cc1c(C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)[nH]c2c1C(=O)CCC2 ZINC000025779304 557225550 /nfs/dbraw/zinc/22/55/50/557225550.db2.gz KGIQTDKOSMXREK-UHFFFAOYSA-N 0 0 429.542 2.687 50 0 IFAARN COc1ccc(Br)cc1C(=O)CCC(=O)N1CCN(c2cnccn2)CC1 ZINC000025833013 557228093 /nfs/dbraw/zinc/22/80/93/557228093.db2.gz PIRQDHKWCZFPKO-UHFFFAOYSA-N 0 0 433.306 2.559 50 0 IFAARN Cn1c(=O)c2cc(C(=O)N(CCc3cccs3)Cc3cccs3)cnc2n(C)c1=O ZINC000025847969 557228408 /nfs/dbraw/zinc/22/84/08/557228408.db2.gz KTDKWOLDKOVVCQ-UHFFFAOYSA-N 0 0 440.550 2.640 50 0 IFAARN NS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000011481206 557229520 /nfs/dbraw/zinc/22/95/20/557229520.db2.gz NVOBWJAAUOWJOT-UHFFFAOYSA-N 0 0 440.477 2.600 50 0 IFAARN COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c1 ZINC000000806895 557229916 /nfs/dbraw/zinc/22/99/16/557229916.db2.gz YYSYCCNRFGXDIY-UHFFFAOYSA-N 0 0 434.514 2.752 50 0 IFAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)NC[C@H]1CCCO1 ZINC000011613406 557230878 /nfs/dbraw/zinc/23/08/78/557230878.db2.gz WIJDXMGDZVVGDX-LSDHHAIUSA-N 0 0 445.932 2.568 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N2CCC[C@@H](C)C2)C(C)C)c1 ZINC000025967669 557231366 /nfs/dbraw/zinc/23/13/66/557231366.db2.gz VTRPDXVYQMOJKY-XLIONFOSSA-N 0 0 437.606 2.730 50 0 IFAARN CC1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000018038208 557231807 /nfs/dbraw/zinc/23/18/07/557231807.db2.gz IISKMPUVCCISBT-HDICACEKSA-N 0 0 436.574 2.769 50 0 IFAARN COc1ccc(C(=O)Nc2ccccc2CN2CCSCC2)cc1S(=O)(=O)N(C)C ZINC000060220427 557231911 /nfs/dbraw/zinc/23/19/11/557231911.db2.gz TWDJYFXAWBGKGV-UHFFFAOYSA-N 0 0 449.598 2.747 50 0 IFAARN O=C(CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1c(F)cccc1F ZINC000011693269 557232246 /nfs/dbraw/zinc/23/22/46/557232246.db2.gz VGEJZBBVOWXQBN-UHFFFAOYSA-N 0 0 427.386 2.706 50 0 IFAARN COc1cccc(-c2nnc3ccc(OCCNC(=O)c4ccc(F)cc4F)nn32)c1 ZINC000011693912 557232897 /nfs/dbraw/zinc/23/28/97/557232897.db2.gz IMHAKFNKBJYMKV-UHFFFAOYSA-N 0 0 425.395 2.887 50 0 IFAARN COc1ccc2c(C)c(CCC(=O)OCCN3C(=O)c4ccccc4C3=O)c(=O)oc2c1 ZINC000026086606 557233737 /nfs/dbraw/zinc/23/37/37/557233737.db2.gz RXYDUCQTPATOOW-UHFFFAOYSA-N 0 0 435.432 2.882 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)cc1OC ZINC000026092285 557234322 /nfs/dbraw/zinc/23/43/22/557234322.db2.gz IDFABMLMJCOPAX-GOSISDBHSA-N 0 0 448.541 2.574 50 0 IFAARN CCOc1ccc(OCCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000018082122 557235693 /nfs/dbraw/zinc/23/56/93/557235693.db2.gz YSKZLMXMHFEAQU-UHFFFAOYSA-N 0 0 436.505 2.526 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1 ZINC000011001109 557237443 /nfs/dbraw/zinc/23/74/43/557237443.db2.gz FCDDOBIIWSQUCH-UHFFFAOYSA-N 0 0 426.494 2.638 50 0 IFAARN COc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000100028679 557237554 /nfs/dbraw/zinc/23/75/54/557237554.db2.gz OSHHXULSMJTMEH-SFHVURJKSA-N 0 0 444.329 2.912 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCCc3cc(F)c(F)cc32)C1=O ZINC000026344051 557239409 /nfs/dbraw/zinc/23/94/09/557239409.db2.gz HQOWVFZSPXRIPX-QFIPXVFZSA-N 0 0 428.439 2.606 50 0 IFAARN COc1cc2nc(CN3CCOCC3)n(CCCOc3ccccc3)c(=O)c2cc1OC ZINC000026396735 557240483 /nfs/dbraw/zinc/24/04/83/557240483.db2.gz PZMMLVRHJOLZND-UHFFFAOYSA-N 0 0 439.512 2.715 50 0 IFAARN CCN1c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000583649020 557241898 /nfs/dbraw/zinc/24/18/98/557241898.db2.gz MSEIOAMBGLMBEA-FQEVSTJZSA-N 0 0 442.541 2.769 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)CSc1nnc(COc2ccc(C(C)(C)C)cc2)n1N ZINC000026460790 557241930 /nfs/dbraw/zinc/24/19/30/557241930.db2.gz YJDXVJRQAFBSMC-UHFFFAOYSA-N 0 0 443.577 2.950 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)CC2=O)c(OC)c1 ZINC000583652473 557242141 /nfs/dbraw/zinc/24/21/41/557242141.db2.gz BGPFQDZGMFYZOP-MAUKXSAKSA-N 0 0 440.496 2.878 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)CC2=O)c(OC)c1 ZINC000583652474 557242235 /nfs/dbraw/zinc/24/22/35/557242235.db2.gz BGPFQDZGMFYZOP-QAPCUYQASA-N 0 0 440.496 2.878 50 0 IFAARN O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000100153642 557244029 /nfs/dbraw/zinc/24/40/29/557244029.db2.gz HZFNKZKNKGXDCY-GOSISDBHSA-N 0 0 445.878 2.658 50 0 IFAARN COc1ccc(N2C(=O)C[C@H](N3CCC(N(C(C)=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000100188831 557246711 /nfs/dbraw/zinc/24/67/11/557246711.db2.gz TZERLAXXVDIVNY-QFIPXVFZSA-N 0 0 439.487 2.984 50 0 IFAARN Cc1cc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCC(C)C)ccc1I ZINC000018193988 557247304 /nfs/dbraw/zinc/24/73/04/557247304.db2.gz HGPAQNYSHOEDER-UKRRQHHQSA-N 0 0 446.285 2.766 50 0 IFAARN COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(Nc4ccccc4F)CC3)C2=O)cc1 ZINC000100209945 557247729 /nfs/dbraw/zinc/24/77/29/557247729.db2.gz IPCOVKFEMUXFOA-FQEVSTJZSA-N 0 0 425.460 2.821 50 0 IFAARN COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604404942 557248081 /nfs/dbraw/zinc/24/80/81/557248081.db2.gz JVYPGVAPOGPLEH-KRWDZBQOSA-N 0 0 448.479 2.777 50 0 IFAARN CCCOc1ccc(Cc2nn3c(nc2=O)s/c(=C/c2ccccc2OCC)c3=O)cc1 ZINC000026779348 557248113 /nfs/dbraw/zinc/24/81/13/557248113.db2.gz LWGBDQPKAZLSAW-RCCKNPSSSA-N 0 0 449.532 2.837 50 0 IFAARN Cc1cc([C@@H](C)NS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)c(C)s1 ZINC000026834095 557249503 /nfs/dbraw/zinc/24/95/03/557249503.db2.gz JOBQDIYXKDGOMJ-CYBMUJFWSA-N 0 0 434.580 2.805 50 0 IFAARN CCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCCC3)cn1C)O[C@H](C)C2 ZINC000026887524 557250079 /nfs/dbraw/zinc/25/00/79/557250079.db2.gz BNGVXWHBXRYZKH-CQSZACIVSA-N 0 0 433.530 2.784 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000026890039 557250183 /nfs/dbraw/zinc/25/01/83/557250183.db2.gz RLKUTYVSEVRQCM-LBPRGKRZSA-N 0 0 447.488 2.724 50 0 IFAARN O=c1n2ccccc2nn1CCN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000026912709 557251254 /nfs/dbraw/zinc/25/12/54/557251254.db2.gz BYFXHYIHFXCKHE-UHFFFAOYSA-N 0 0 440.857 2.776 50 0 IFAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1ccc(O)cc1 ZINC000604419559 557251428 /nfs/dbraw/zinc/25/14/28/557251428.db2.gz CREGCCFYSPOVDA-HSZRJFAPSA-N 0 0 427.460 2.866 50 0 IFAARN Cc1cccc2c(=O)n(CCCC(=O)OCc3cc(=O)n4cc(Cl)ccc4n3)cnc12 ZINC000026951574 557252111 /nfs/dbraw/zinc/25/21/11/557252111.db2.gz LZCAUUGAWOPLKT-UHFFFAOYSA-N 0 0 438.871 2.890 50 0 IFAARN CCOC(=O)C1=C(Cn2cnc3sc(C)c(C)c3c2=O)NC(=O)N[C@@H]1c1ccco1 ZINC000027118839 557257264 /nfs/dbraw/zinc/25/72/64/557257264.db2.gz STWRBEBXYQKXFV-MRXNPFEDSA-N 0 0 428.470 2.539 50 0 IFAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cccnc1SCc1cc(C)on1 ZINC000027218170 557258864 /nfs/dbraw/zinc/25/88/64/557258864.db2.gz FFMPHOOZJKOZLW-UHFFFAOYSA-N 0 0 446.554 2.650 50 0 IFAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1SC[C@@H]1CCCO1 ZINC000027218178 557258908 /nfs/dbraw/zinc/25/89/08/557258908.db2.gz VNXGFGZERDPZDC-SFHVURJKSA-N 0 0 434.583 2.937 50 0 IFAARN O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000027256312 557259456 /nfs/dbraw/zinc/25/94/56/557259456.db2.gz OFKWEVOZOQMQTF-IBGZPJMESA-N 0 0 444.582 2.710 50 0 IFAARN CC(=O)N[C@@H](CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1)c1ccccc1 ZINC000027285060 557259668 /nfs/dbraw/zinc/25/96/68/557259668.db2.gz SGFJJTWBCXCULW-KNQAVFIVSA-N 0 0 448.523 2.698 50 0 IFAARN CCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1=O ZINC000027379270 557261485 /nfs/dbraw/zinc/26/14/85/557261485.db2.gz ULJMLUPIRFQBNI-IBGZPJMESA-N 0 0 449.507 2.708 50 0 IFAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000027391823 557261498 /nfs/dbraw/zinc/26/14/98/557261498.db2.gz ZWCZQZPHBSOSRW-CQSZACIVSA-N 0 0 437.949 2.717 50 0 IFAARN COC(=O)Cn1c2cc(C)cc(C)c2sc1=NC(=O)CS(=O)(=O)Cc1ccccc1 ZINC000101142317 557262061 /nfs/dbraw/zinc/26/20/61/557262061.db2.gz RWPZTDLOOSXCTI-QURGRASLSA-N 0 0 446.550 2.535 50 0 IFAARN Cc1nc(NC(=O)CCn2nnc3ccccc3c2=O)sc1Cc1ccc2c(c1)OCO2 ZINC000027448022 557262459 /nfs/dbraw/zinc/26/24/59/557262459.db2.gz ZTEKIJWQRRAQSP-UHFFFAOYSA-N 0 0 449.492 2.905 50 0 IFAARN Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)N2CCC(C(N)=O)CC2)c2ccccc2n1C ZINC000027489034 557262857 /nfs/dbraw/zinc/26/28/57/557262857.db2.gz LTDSECZBJCUHQJ-XMMPIXPASA-N 0 0 444.535 2.756 50 0 IFAARN Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc(C(C)C)n1 ZINC000027545119 557264711 /nfs/dbraw/zinc/26/47/11/557264711.db2.gz DMCXTYCOTNIITC-QGZVFWFLSA-N 0 0 425.533 2.829 50 0 IFAARN Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc(C(C)C)n1 ZINC000027545117 557264776 /nfs/dbraw/zinc/26/47/76/557264776.db2.gz DMCXTYCOTNIITC-KRWDZBQOSA-N 0 0 425.533 2.829 50 0 IFAARN O=C(c1ccccc1)N1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000100572043 557265094 /nfs/dbraw/zinc/26/50/94/557265094.db2.gz LUGNIDLRXSPFIC-SFHVURJKSA-N 0 0 442.313 2.539 50 0 IFAARN CCNC(=S)N(CCc1ccc(OC)cc1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000100578583 557265339 /nfs/dbraw/zinc/26/53/39/557265339.db2.gz LKKPRMYPXSHADL-HXUWFJFHSA-N 0 0 441.553 2.775 50 0 IFAARN COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(Br)cc4)C(O)=C23)c1OC ZINC000101279671 557266685 /nfs/dbraw/zinc/26/66/85/557266685.db2.gz QDWYHUVUWIFCLL-PBHICJAKSA-N 0 0 431.242 2.759 50 0 IFAARN COc1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1OC ZINC000013003978 557268334 /nfs/dbraw/zinc/26/83/34/557268334.db2.gz HKRRUCCZIFAJMR-ONNFQVAWSA-N 0 0 427.476 2.639 50 0 IFAARN O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)N1CCN(c2ccccn2)CC1 ZINC000022931516 557274959 /nfs/dbraw/zinc/27/49/59/557274959.db2.gz AMOPBLDBBCYDQA-UHFFFAOYSA-N 0 0 427.980 2.592 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000100914964 557278386 /nfs/dbraw/zinc/27/83/86/557278386.db2.gz YSXRGUIBWUOMJG-DOTOQJQBSA-N 0 0 442.269 2.746 50 0 IFAARN CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1C1CC1 ZINC000014016302 557280960 /nfs/dbraw/zinc/28/09/60/557280960.db2.gz CPCLELJVUSDFTL-UHFFFAOYSA-N 0 0 435.575 2.691 50 0 IFAARN COc1ccccc1CNC(=O)C(=O)N[C@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000101432499 557285381 /nfs/dbraw/zinc/28/53/81/557285381.db2.gz YDOJAJLHHSYYSM-QFIPXVFZSA-N 0 0 429.476 2.716 50 0 IFAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000014068126 557296787 /nfs/dbraw/zinc/29/67/87/557296787.db2.gz YBBHICCWDYWEEG-UHFFFAOYSA-N 0 0 428.869 2.761 50 0 IFAARN CCCCNC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000023324154 557296951 /nfs/dbraw/zinc/29/69/51/557296951.db2.gz RBFCRTFKGVALPU-UHFFFAOYSA-N 0 0 434.890 2.831 50 0 IFAARN CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccc(OC)cc2)cc1 ZINC000101802383 557298923 /nfs/dbraw/zinc/29/89/23/557298923.db2.gz TXYNEJVDUJGZAQ-UHFFFAOYSA-N 0 0 433.468 2.980 50 0 IFAARN NC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)ccc1F ZINC000031987789 557299376 /nfs/dbraw/zinc/29/93/76/557299376.db2.gz LYXNREUKVILUCU-HXUWFJFHSA-N 0 0 431.423 2.771 50 0 IFAARN Cc1cccc(OCCCC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1 ZINC000014085143 557299992 /nfs/dbraw/zinc/29/99/92/557299992.db2.gz DTUXXOKZVMPPMW-UHFFFAOYSA-N 0 0 438.496 2.965 50 0 IFAARN COc1ccc(CCNC(=O)CS(=O)(=O)c2ccc(Br)s2)cc1OC ZINC000011666512 557300569 /nfs/dbraw/zinc/30/05/69/557300569.db2.gz CWGFIGLZNLHESH-UHFFFAOYSA-N 0 0 448.360 2.660 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1ccc2c(c1)OCO2 ZINC000014095891 557302806 /nfs/dbraw/zinc/30/28/06/557302806.db2.gz IGNXETBTWOBDAJ-OYLFLEFRSA-N 0 0 435.480 2.766 50 0 IFAARN COc1ccc([C@@H]2SCC(=O)N2[C@@H]2C(=O)N(c3ccccc3)N(C)[C@@H]2C)c(OC)c1 ZINC000011667047 557303317 /nfs/dbraw/zinc/30/33/17/557303317.db2.gz VZOZFTFPRORIHG-XDCJIHQESA-N 0 0 427.526 2.929 50 0 IFAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Br)cc2)N2CCCN32)cc1 ZINC000102687660 557305458 /nfs/dbraw/zinc/30/54/58/557305458.db2.gz OCXOEGZKKXKHMB-IPMKNSEASA-N 0 0 442.313 2.993 50 0 IFAARN Cc1noc(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000014125124 557306477 /nfs/dbraw/zinc/30/64/77/557306477.db2.gz BXILJSIAUMYQFB-UHFFFAOYSA-N 0 0 431.558 2.636 50 0 IFAARN O=C(COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000102129777 557313094 /nfs/dbraw/zinc/31/30/94/557313094.db2.gz SWMCYBFPVVOCCC-GASCZTMLSA-N 0 0 425.268 2.816 50 0 IFAARN O=C1CSc2sc3c(ncn(C[C@H](c4ccccc4)N4CCOCC4)c3=O)c2N1 ZINC000032624521 557313657 /nfs/dbraw/zinc/31/36/57/557313657.db2.gz OTULDXHGUGPGTP-CQSZACIVSA-N 0 0 428.539 2.576 50 0 IFAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C)CC3)N2[C@@H]1c1ccccc1F ZINC000103235523 557313915 /nfs/dbraw/zinc/31/39/15/557313915.db2.gz ROBJKIWIAVZUHR-HXUWFJFHSA-N 0 0 444.532 2.738 50 0 IFAARN CCOc1cc2c(cc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1)O[C@H](C)C2 ZINC000032748138 557314870 /nfs/dbraw/zinc/31/48/70/557314870.db2.gz RRMLMNFMVQUANM-HZPDHXFCSA-N 0 0 432.542 2.700 50 0 IFAARN O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(SC(F)F)cc1 ZINC000102283151 557317220 /nfs/dbraw/zinc/31/72/20/557317220.db2.gz FVPDUYGFBZBKKM-KBPBESRZSA-N 0 0 426.441 2.658 50 0 IFAARN Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c(C)n1Cc1ccco1 ZINC000102285582 557317243 /nfs/dbraw/zinc/31/72/43/557317243.db2.gz FDVDXLOBFVGXNU-HDICACEKSA-N 0 0 426.469 2.647 50 0 IFAARN COc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000102321281 557319049 /nfs/dbraw/zinc/31/90/49/557319049.db2.gz SZRSFSBFNZSHFC-BGYRXZFFSA-N 0 0 433.464 2.837 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccco3)c2)CC1 ZINC000032976347 557319979 /nfs/dbraw/zinc/31/99/79/557319979.db2.gz GSTTXCADCBNHNB-UHFFFAOYSA-N 0 0 425.938 2.531 50 0 IFAARN CCOC(=O)c1noc2nc(C)n([C@H](CC)C(=O)NCCc3ccc(Cl)cc3)c(=O)c12 ZINC000033059581 557323030 /nfs/dbraw/zinc/32/30/30/557323030.db2.gz ZKMZMFJOTDRFHA-OAHLLOKOSA-N 0 0 446.891 2.833 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)cc1 ZINC000033124937 557324570 /nfs/dbraw/zinc/32/45/70/557324570.db2.gz HMZXPBDXNVBFPQ-AWEZNQCLSA-N 0 0 425.416 2.954 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000102477135 557325052 /nfs/dbraw/zinc/32/50/52/557325052.db2.gz WGUFMPUEOAOPBL-QHCPKHFHSA-N 0 0 441.597 2.885 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(=O)NCc1cscn1 ZINC000033138990 557325423 /nfs/dbraw/zinc/32/54/23/557325423.db2.gz FDLUWUARXHFACR-INIZCTEOSA-N 0 0 427.617 2.785 50 0 IFAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000102440353 557325784 /nfs/dbraw/zinc/32/57/84/557325784.db2.gz UUHSOXZKAZAKHG-KBPBESRZSA-N 0 0 434.514 2.940 50 0 IFAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000102458782 557328059 /nfs/dbraw/zinc/32/80/59/557328059.db2.gz UBRFORVCBVBPCG-NBOOPKSLSA-N 0 0 441.619 2.524 50 0 IFAARN COc1ccc(C)cc1/C=C/C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000014239345 557328179 /nfs/dbraw/zinc/32/81/79/557328179.db2.gz ILRPHDSZPRRXII-WEVVVXLNSA-N 0 0 446.525 2.685 50 0 IFAARN O=C(Cn1nnc(-c2ccsc2)n1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000014237426 557328193 /nfs/dbraw/zinc/32/81/93/557328193.db2.gz RCSSGRDDBNVJSL-UHFFFAOYSA-N 0 0 446.558 2.605 50 0 IFAARN O=C(c1ccccc1SCc1ccsc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014242142 557329078 /nfs/dbraw/zinc/32/90/78/557329078.db2.gz HKAGEZXPMWMGTG-QGZVFWFLSA-N 0 0 436.624 2.985 50 0 IFAARN COc1cccc(NC(=O)CN2CCN(CC(=O)Nc3cccc(OC)c3)C(C)(C)C2)c1 ZINC000072308686 557329441 /nfs/dbraw/zinc/32/94/41/557329441.db2.gz RISUXNSHPKNOBU-UHFFFAOYSA-N 0 0 440.544 2.677 50 0 IFAARN COc1cc(OC)c(NC(=O)[C@@H]2CCCN2c2nn3c(nc(C)cc3=O)s2)cc1Cl ZINC000033315284 557332884 /nfs/dbraw/zinc/33/28/84/557332884.db2.gz JQGANJGTINBLBF-ZDUSSCGKSA-N 0 0 449.920 2.738 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc(C(=O)OC)c1 ZINC000024833634 557334061 /nfs/dbraw/zinc/33/40/61/557334061.db2.gz JNHSUINKRLMLQF-MRXNPFEDSA-N 0 0 430.482 2.955 50 0 IFAARN C[C@H](Oc1ccccc1)C(=O)N1CCN(c2nccc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000023331214 557344161 /nfs/dbraw/zinc/34/41/61/557344161.db2.gz NZMNBMRVICTEGS-KRWDZBQOSA-N 0 0 432.480 2.988 50 0 IFAARN COC(=O)C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)cc1 ZINC000011671318 557345653 /nfs/dbraw/zinc/34/56/53/557345653.db2.gz GGIMCJKVRKOXSC-SFHVURJKSA-N 0 0 436.917 2.914 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc3ncsc3c2)c(=O)[nH]c1=O ZINC000014653030 557347140 /nfs/dbraw/zinc/34/71/40/557347140.db2.gz YXOBNNIQASSTSN-UHFFFAOYSA-N 0 0 439.497 2.969 50 0 IFAARN O=C1C[C@@H](N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1Cc1ccccc1 ZINC000102616553 557359335 /nfs/dbraw/zinc/35/93/35/557359335.db2.gz SENLKCNRBXNDDM-GOSISDBHSA-N 0 0 432.446 2.940 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 ZINC000023539521 557365520 /nfs/dbraw/zinc/36/55/20/557365520.db2.gz BUFDONXBKQAGCU-UHFFFAOYSA-N 0 0 428.441 2.722 50 0 IFAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102681091 557368569 /nfs/dbraw/zinc/36/85/69/557368569.db2.gz PZSBHXCUDDXJAN-GUDVDZBRSA-N 0 0 442.313 2.993 50 0 IFAARN O=c1[nH]c2cc(S(=O)(=O)N3CCC[C@H](Cc4nc(-c5ccsc5)no4)C3)ccc2o1 ZINC000220946919 557371371 /nfs/dbraw/zinc/37/13/71/557371371.db2.gz FRCBNJVWEOOODH-GFCCVEGCSA-N 0 0 446.510 2.876 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000023844780 557375918 /nfs/dbraw/zinc/37/59/18/557375918.db2.gz IBUFQMOHUZVIGV-UHFFFAOYSA-N 0 0 426.897 2.757 50 0 IFAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 ZINC000023907622 557379037 /nfs/dbraw/zinc/37/90/37/557379037.db2.gz KQQSEAZNJQONOO-UHFFFAOYSA-N 0 0 438.557 2.842 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc(Cl)c3c(c2)OCCO3)C1=O ZINC000023947840 557388085 /nfs/dbraw/zinc/38/80/85/557388085.db2.gz RSUJKDNQHHZXIZ-OAQYLSRUSA-N 0 0 429.860 2.699 50 0 IFAARN O=S(=O)(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(Cl)s1 ZINC000011694539 557392353 /nfs/dbraw/zinc/39/23/53/557392353.db2.gz JOPOVIYGGFZQLJ-UHFFFAOYSA-N 0 0 435.918 2.864 50 0 IFAARN O=S(=O)(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1ccccc1Cl ZINC000011694560 557392624 /nfs/dbraw/zinc/39/26/24/557392624.db2.gz DCNFQJLPUIFGOI-UHFFFAOYSA-N 0 0 447.879 2.941 50 0 IFAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000024453580 557393819 /nfs/dbraw/zinc/39/38/19/557393819.db2.gz GGUWJSFQUROGDW-UHFFFAOYSA-N 0 0 443.447 2.844 50 0 IFAARN COC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000011696100 557393867 /nfs/dbraw/zinc/39/38/67/557393867.db2.gz LBNLGEMKPNZJED-YOEHRIQHSA-N 0 0 442.541 2.531 50 0 IFAARN CCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000011696153 557394223 /nfs/dbraw/zinc/39/42/23/557394223.db2.gz MSJGBHCZCMZACM-MRXNPFEDSA-N 0 0 442.541 2.915 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(OC(F)F)cc1 ZINC000024067818 557394731 /nfs/dbraw/zinc/39/47/31/557394731.db2.gz WYUCVNHPOWPINI-OAHLLOKOSA-N 0 0 427.473 2.733 50 0 IFAARN COc1cccc([C@@]2(C)NC(=O)N(C[C@@H](O)COc3cccc(Br)c3)C2=O)c1 ZINC000024086918 557395439 /nfs/dbraw/zinc/39/54/39/557395439.db2.gz YETOCZQFJRDXBO-FOIQADDNSA-N 0 0 449.301 2.665 50 0 IFAARN Cc1cccc2sc(NC(=O)CSc3nnc(CNC(=O)c4ccco4)n3C)nc21 ZINC000013956446 557398211 /nfs/dbraw/zinc/39/82/11/557398211.db2.gz NNYJMCOJBBMGHI-UHFFFAOYSA-N 0 0 442.526 2.987 50 0 IFAARN C[C@@H](Sc1nnc(CCNC(=O)c2ccccc2F)n1C)C(=O)NC1CCCCC1 ZINC000013956433 557398282 /nfs/dbraw/zinc/39/82/82/557398282.db2.gz RIIQKUMKUQTEEL-CQSZACIVSA-N 0 0 433.553 2.856 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000102863333 557403631 /nfs/dbraw/zinc/40/36/31/557403631.db2.gz CUJINNPSNCDXIT-KDURUIRLSA-N 0 0 431.492 2.549 50 0 IFAARN CS(=O)(=O)NC1=NC2=NC(c3ccc(Br)cc3)=C[C@@H](c3ccccc3)N2N1 ZINC000100486429 557408950 /nfs/dbraw/zinc/40/89/50/557408950.db2.gz DMGGJCYYAQOUKF-INIZCTEOSA-N 0 0 446.330 2.626 50 0 IFAARN C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)CC1 ZINC000408519064 557412753 /nfs/dbraw/zinc/41/27/53/557412753.db2.gz WNFOOZXVWXSMFE-CYBMUJFWSA-N 0 0 431.493 2.854 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 ZINC000103319563 557433775 /nfs/dbraw/zinc/43/37/75/557433775.db2.gz KCKFTXMFDLVSBW-LZJOCLMNSA-N 0 0 444.557 2.605 50 0 IFAARN CC(C)C[C@H](C(=O)O[C@H](C)C(=O)NCc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000103454118 557437399 /nfs/dbraw/zinc/43/73/99/557437399.db2.gz JKDGEPBEDYKLLP-BTHPGYMESA-N 0 0 426.513 2.600 50 0 IFAARN CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)C1 ZINC000103712432 557440748 /nfs/dbraw/zinc/44/07/48/557440748.db2.gz XUVDRLNSIDTRLT-JZXOWHBKSA-N 0 0 447.601 2.690 50 0 IFAARN CCOC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2F)c1=O)COC(C)(C)C3 ZINC000024545392 557442041 /nfs/dbraw/zinc/44/20/41/557442041.db2.gz ZCSRIXAYRZJJKM-UHFFFAOYSA-N 0 0 446.500 2.827 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)cc1F ZINC000097943855 557453381 /nfs/dbraw/zinc/45/33/81/557453381.db2.gz SCFUKEWSOBKRGA-QHCPKHFHSA-N 0 0 425.460 2.870 50 0 IFAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000014790076 557455794 /nfs/dbraw/zinc/45/57/94/557455794.db2.gz NDHJQSJIUOCOGY-UHFFFAOYSA-N 0 0 446.422 2.795 50 0 IFAARN O=C(Cn1c(=O)[nH]c2c(-c3ccccc3F)c[nH]c2c1=O)NCc1ccc(Cl)cc1 ZINC000101270641 557455986 /nfs/dbraw/zinc/45/59/86/557455986.db2.gz ZDFISHBZAYDNEP-UHFFFAOYSA-N 0 0 426.835 2.794 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)c(OC)c1 ZINC000085690412 557458988 /nfs/dbraw/zinc/45/89/88/557458988.db2.gz ZQZXOUKBJSHBEZ-MRXNPFEDSA-N 0 0 435.484 2.980 50 0 IFAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000104891846 557463800 /nfs/dbraw/zinc/46/38/00/557463800.db2.gz RYMPTARTYBKJGT-GJZGRUSLSA-N 0 0 440.997 2.987 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)c(C)c4)ncn3n2)cc1 ZINC000051316938 557466062 /nfs/dbraw/zinc/46/60/62/557466062.db2.gz WZGKDCGABRIWJL-UHFFFAOYSA-N 0 0 431.496 2.890 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000104937867 557466153 /nfs/dbraw/zinc/46/61/53/557466153.db2.gz BZPBUWOIALEHDD-OXQOHEQNSA-N 0 0 447.507 2.614 50 0 IFAARN CN1OC[C@H](S(=O)(=O)N2CCSCC2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000105049316 557474023 /nfs/dbraw/zinc/47/40/23/557474023.db2.gz DJXQFPJWUAXPAG-SFTDATJTSA-N 0 0 434.583 2.931 50 0 IFAARN COc1ccc(OC)c2c1CN(CN1C(=O)[C@H](C)N(c3ccc(C)cc3)C1=O)C[C@@H]2O ZINC000105637646 557509309 /nfs/dbraw/zinc/50/93/09/557509309.db2.gz ZZOBLQWYPSUENP-YJBOKZPZSA-N 0 0 425.485 2.676 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC3CCCCC3)C1)O[C@@H](C)C(=O)N2 ZINC000105845624 557511632 /nfs/dbraw/zinc/51/16/32/557511632.db2.gz UFFFYNPFUARUKD-JKSUJKDBSA-N 0 0 449.573 2.564 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)[C@H]1C ZINC000105879268 557512186 /nfs/dbraw/zinc/51/21/86/557512186.db2.gz VRULPJNKWFMJKE-WWGRRREGSA-N 0 0 425.323 2.663 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)n(C)c1 ZINC000018396960 557512403 /nfs/dbraw/zinc/51/24/03/557512403.db2.gz QTEJYLXZASXCIL-UHFFFAOYSA-N 0 0 448.497 2.533 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccccc2OC)cc1 ZINC000047146381 557517063 /nfs/dbraw/zinc/51/70/63/557517063.db2.gz GBXDALFZQOUEML-UHFFFAOYSA-N 0 0 438.509 2.975 50 0 IFAARN Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)o1 ZINC000018416986 557519551 /nfs/dbraw/zinc/51/95/51/557519551.db2.gz OYHFCSNPUJVGSV-IBGZPJMESA-N 0 0 434.290 2.776 50 0 IFAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1Cl ZINC000012030576 557523995 /nfs/dbraw/zinc/52/39/95/557523995.db2.gz UOWUUHORRWXFBT-OAHLLOKOSA-N 0 0 443.930 2.562 50 0 IFAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012029816 557524937 /nfs/dbraw/zinc/52/49/37/557524937.db2.gz VTRCMOCJHOOMBP-INIZCTEOSA-N 0 0 447.456 2.919 50 0 IFAARN CC(C)Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012029774 557524942 /nfs/dbraw/zinc/52/49/42/557524942.db2.gz CJDZNSGUVUZSMR-KRWDZBQOSA-N 0 0 437.539 2.687 50 0 IFAARN CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CCN(C(=O)CCN1CCCCO1)CC2 ZINC000012054913 557525583 /nfs/dbraw/zinc/52/55/83/557525583.db2.gz NGKHNQCFZZLCQA-RPWUZVMVSA-N 0 0 443.588 2.950 50 0 IFAARN CCOc1ccccc1C(=O)NCCn1ncc2c1ncn(Cc1ccccc1F)c2=O ZINC000012071538 557526622 /nfs/dbraw/zinc/52/66/22/557526622.db2.gz MRPZCBMZCJUIBU-UHFFFAOYSA-N 0 0 435.459 2.609 50 0 IFAARN CCOc1ccccc1C(=O)NCCn1ncc2c1ncn(Cc1cccc(C)c1)c2=O ZINC000012072245 557527026 /nfs/dbraw/zinc/52/70/26/557527026.db2.gz ZAKJKUYZJQALFI-UHFFFAOYSA-N 0 0 431.496 2.778 50 0 IFAARN NC(=O)c1nc(-c2ccc(Br)cc2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 ZINC000012080826 557527740 /nfs/dbraw/zinc/52/77/40/557527740.db2.gz RGPIBLOTDKBXJP-UHFFFAOYSA-N 0 0 428.221 2.776 50 0 IFAARN COc1ccccc1-n1c2nc(-c3ccc(Br)cc3)nc(C(N)=O)c2[nH]c1=O ZINC000012080845 557527742 /nfs/dbraw/zinc/52/77/42/557527742.db2.gz YSGJBYCWWXVCLV-UHFFFAOYSA-N 0 0 440.257 2.646 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1)O[C@@H](C)C(=O)N2 ZINC000106324964 557528206 /nfs/dbraw/zinc/52/82/06/557528206.db2.gz URAFHPXQOLAEIU-YOEHRIQHSA-N 0 0 429.498 2.506 50 0 IFAARN C[C@@H]1CN([C@H](CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c2c(F)cccc2Cl)CCO1 ZINC000106749084 557532506 /nfs/dbraw/zinc/53/25/06/557532506.db2.gz GEEATKIKUODUAU-SIXWZSSISA-N 0 0 437.943 2.616 50 0 IFAARN CC1(C)Cc2cccc(OCC(=O)NCCn3nc(-c4ccco4)n(C4CC4)c3=O)c2O1 ZINC000211073910 557532960 /nfs/dbraw/zinc/53/29/60/557532960.db2.gz MFMKELJPENGVHF-UHFFFAOYSA-N 0 0 438.484 2.548 50 0 IFAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@](O)(Cc2ccccc2)c2ccccc2)C1 ZINC000107064024 557534384 /nfs/dbraw/zinc/53/43/84/557534384.db2.gz HHVPGPGIUXPQEO-XUZZJYLKSA-N 0 0 444.597 2.685 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2sc(N(Cc3ccccc3)C(C)=O)nc2C)CC1 ZINC000044902059 557540386 /nfs/dbraw/zinc/54/03/86/557540386.db2.gz YMVUAPLOSCKECH-UHFFFAOYSA-N 0 0 430.530 2.919 50 0 IFAARN CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000044915231 557540623 /nfs/dbraw/zinc/54/06/23/557540623.db2.gz JAZFEDMNWSEBPD-FQEVSTJZSA-N 0 0 445.541 2.724 50 0 IFAARN CCOC(=O)[C@@H]1N[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000108511419 557543345 /nfs/dbraw/zinc/54/33/45/557543345.db2.gz VNNZLGIBHWIYBJ-WNRNVDISSA-N 0 0 443.297 2.831 50 0 IFAARN COc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)c1 ZINC000045924945 557549805 /nfs/dbraw/zinc/54/98/05/557549805.db2.gz LNKYZAKIYIKMJK-UHFFFAOYSA-N 0 0 436.540 2.693 50 0 IFAARN CCOC(=O)Oc1c(OC)cc(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1OC ZINC000045961157 557555055 /nfs/dbraw/zinc/55/50/55/557555055.db2.gz WTMIGNNLQDAUHA-UHFFFAOYSA-N 0 0 427.417 2.776 50 0 IFAARN O=c1c2nnn(Cc3ccc(F)cc3)c2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000045971017 557558500 /nfs/dbraw/zinc/55/85/00/557558500.db2.gz MQPUVRCTPUPLPO-UHFFFAOYSA-N 0 0 437.822 2.927 50 0 IFAARN CCc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4cccc(OC)c4)c3=O)n2)cc1 ZINC000045971076 557558509 /nfs/dbraw/zinc/55/85/09/557558509.db2.gz ZXUMLPHTLPVLNA-UHFFFAOYSA-N 0 0 443.467 2.706 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2nc(-c3cccs3)oc2C)cc1 ZINC000040039290 557676635 /nfs/dbraw/zinc/67/66/35/557676635.db2.gz FQVDPRYYDKRXKG-UHFFFAOYSA-N 0 0 434.495 2.936 50 0 IFAARN COC(=O)C(C)(C)NC(=O)c1ccc(I)c(Br)c1 ZINC000040090314 557689748 /nfs/dbraw/zinc/68/97/48/557689748.db2.gz ARAXIJYZYXKWOQ-UHFFFAOYSA-N 0 0 426.048 2.735 50 0 IFAARN CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)[nH]1 ZINC000225416282 557720627 /nfs/dbraw/zinc/72/06/27/557720627.db2.gz XCAICDXDKFOJKO-QWHCGFSZSA-N 0 0 437.566 2.895 50 0 IFAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000225435418 557722595 /nfs/dbraw/zinc/72/25/95/557722595.db2.gz PMICPDZVDNECSW-GOSISDBHSA-N 0 0 443.610 2.512 50 0 IFAARN Cc1sc2nc(CS[C@H](C)C(=O)NC3(CO)Cc4ccccc4C3)[nH]c(=O)c2c1C ZINC000225444644 557723577 /nfs/dbraw/zinc/72/35/77/557723577.db2.gz KSCXDDRUFQOADX-CQSZACIVSA-N 0 0 443.594 2.869 50 0 IFAARN COC(=O)c1cccc2c1CCCN2C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000225502520 557731342 /nfs/dbraw/zinc/73/13/42/557731342.db2.gz CQCRONJIBYLAIG-ZDUSSCGKSA-N 0 0 427.423 2.736 50 0 IFAARN O=C(CN1CCn2c(Cc3cccc(Br)c3)nnc2C1)N1CCCCCC1 ZINC000225675208 557761236 /nfs/dbraw/zinc/76/12/36/557761236.db2.gz IPFKXRBMTPNFCQ-UHFFFAOYSA-N 0 0 432.366 2.850 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2nc(Br)sc2C2CC2)cc1 ZINC000225704436 557766744 /nfs/dbraw/zinc/76/67/44/557766744.db2.gz KTHBVNHEDAOQCB-UHFFFAOYSA-N 0 0 444.376 2.963 50 0 IFAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCC(C)C)COC23CCN(C(=O)C(C)(C)C)CC3)c1 ZINC000096274602 557771737 /nfs/dbraw/zinc/77/17/37/557771737.db2.gz FFNGPEUKILNYCL-FQEVSTJZSA-N 0 0 443.588 2.973 50 0 IFAARN COC1CCN(C(=O)NC[C@@H](NC(=O)N2CCC(OC)CC2)[C@H](C)c2ccccc2)CC1 ZINC000225829196 557782302 /nfs/dbraw/zinc/78/23/02/557782302.db2.gz MIZYQKAFJUCSOU-XMSQKQJNSA-N 0 0 446.592 2.800 50 0 IFAARN COC(=O)c1cn(-c2cccc(NC(=O)N(Cc3ccco3)C[C@H]3CCCO3)c2)nn1 ZINC000225850662 557785340 /nfs/dbraw/zinc/78/53/40/557785340.db2.gz YGADZFWPMLWDGX-GOSISDBHSA-N 0 0 425.445 2.860 50 0 IFAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000229751611 557833070 /nfs/dbraw/zinc/83/30/70/557833070.db2.gz UBRFORVCBVBPCG-MUQADHOPSA-N 0 0 441.619 2.524 50 0 IFAARN O=C(OCc1ccccc1)N1CCC(CS(=O)(=O)NCc2nccnc2Cl)CC1 ZINC000241139467 557845966 /nfs/dbraw/zinc/84/59/66/557845966.db2.gz JRDOIUKACMHURD-UHFFFAOYSA-N 0 0 438.937 2.598 50 0 IFAARN Cn1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2n(C)c1=O ZINC000015008602 557849831 /nfs/dbraw/zinc/84/98/31/557849831.db2.gz NKCLLQXWOWZHLX-YVLHZVERSA-N 0 0 440.456 2.691 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000886328 557855527 /nfs/dbraw/zinc/85/55/27/557855527.db2.gz KGQGUKWFHBSXKX-SFHVURJKSA-N 0 0 448.541 2.503 50 0 IFAARN COc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc1 ZINC000001086407 562920389 /nfs/dbraw/zinc/92/03/89/562920389.db2.gz ZMXSDZVQOBVOHV-UHFFFAOYSA-N 0 0 426.860 2.936 50 0 IFAARN Cc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)NC(C)(C)CO)c3)nn12 ZINC000001431628 562921906 /nfs/dbraw/zinc/92/19/06/562921906.db2.gz UMLMAGFSDRQOKQ-UHFFFAOYSA-N 0 0 425.514 2.611 50 0 IFAARN COc1ccc(NC(=O)[C@@H](NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(C)C)cc1 ZINC000002095207 562925792 /nfs/dbraw/zinc/92/57/92/562925792.db2.gz FNMKEBJWHKYPMV-JLHGSKIFSA-N 0 0 438.528 2.649 50 0 IFAARN CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)c1 ZINC000002384704 562927298 /nfs/dbraw/zinc/92/72/98/562927298.db2.gz HCMLILRISPBUGJ-UHFFFAOYSA-N 0 0 441.513 2.948 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 ZINC000002617185 562928402 /nfs/dbraw/zinc/92/84/02/562928402.db2.gz BWAVLWSWROKMJW-UHFFFAOYSA-N 0 0 428.441 2.722 50 0 IFAARN COC[C@@H](C)n1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc2c1=O ZINC000002620126 562928516 /nfs/dbraw/zinc/92/85/16/562928516.db2.gz VUYWNIDPTKLZNU-OAHLLOKOSA-N 0 0 440.525 2.722 50 0 IFAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000002658362 562929581 /nfs/dbraw/zinc/92/95/81/562929581.db2.gz QUNXCQLHSJJXIF-OAQYLSRUSA-N 0 0 429.498 2.947 50 0 IFAARN Cc1cccc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c2ccccc2F)c1 ZINC000002698805 562929872 /nfs/dbraw/zinc/92/98/72/562929872.db2.gz HWZJNOFQWAOPPR-AEFFLSMTSA-N 0 0 433.530 2.848 50 0 IFAARN Cc1cc(NC(=O)COC(=O)CCC(=O)c2cccs2)n(-c2nc(C)cc(C)n2)n1 ZINC000003256349 562933409 /nfs/dbraw/zinc/93/34/09/562933409.db2.gz VPECLPRIEROURB-UHFFFAOYSA-N 0 0 427.486 2.794 50 0 IFAARN COc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000003376772 562935074 /nfs/dbraw/zinc/93/50/74/562935074.db2.gz ZBQRBJJRAJEUEZ-UHFFFAOYSA-N 0 0 442.537 2.646 50 0 IFAARN O=C(CSc1nnc(NC2CCCCC2)s1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000003407381 562935302 /nfs/dbraw/zinc/93/53/02/562935302.db2.gz PDNVXICSFOPFRQ-UHFFFAOYSA-N 0 0 438.579 2.661 50 0 IFAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000003411473 562935362 /nfs/dbraw/zinc/93/53/62/562935362.db2.gz UYYZLOCAFPDIET-ZDUSSCGKSA-N 0 0 425.432 2.867 50 0 IFAARN CCCCN(C(=O)c1ccc(OC(F)(F)F)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000003417975 562935506 /nfs/dbraw/zinc/93/55/06/562935506.db2.gz TUSMTVHSIRAKCS-UHFFFAOYSA-N 0 0 428.411 2.874 50 0 IFAARN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)c32)C1 ZINC000003416933 562935515 /nfs/dbraw/zinc/93/55/15/562935515.db2.gz KOBDYNZIRHPFFW-NEPJUHHUSA-N 0 0 425.601 2.554 50 0 IFAARN O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000003456615 562936063 /nfs/dbraw/zinc/93/60/63/562936063.db2.gz VJUJSTKCGJMGLM-UHFFFAOYSA-N 0 0 440.525 2.669 50 0 IFAARN CCN(CC(=O)NC(C)C)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000003504422 562936332 /nfs/dbraw/zinc/93/63/32/562936332.db2.gz JPKZSXIIJOGIJF-UHFFFAOYSA-N 0 0 447.557 2.507 50 0 IFAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000003593343 562936727 /nfs/dbraw/zinc/93/67/27/562936727.db2.gz CKNOHEFZRVWJKM-IBGZPJMESA-N 0 0 446.257 2.584 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000003621960 562936811 /nfs/dbraw/zinc/93/68/11/562936811.db2.gz RANFALVLDVGJJU-IRXDYDNUSA-N 0 0 436.574 2.831 50 0 IFAARN CC(=O)N1CCN(C(=O)CNc2cc(C(F)(F)F)ccc2OCC(F)(F)F)CC1 ZINC000004057776 562941404 /nfs/dbraw/zinc/94/14/04/562941404.db2.gz PYXHXQWNYYLCDE-UHFFFAOYSA-N 0 0 427.345 2.749 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)N1CCc2ccccc2C1 ZINC000004076724 562941445 /nfs/dbraw/zinc/94/14/45/562941445.db2.gz LRKPYYOHXZOOAE-SFHVURJKSA-N 0 0 430.555 2.579 50 0 IFAARN Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)N1CCC2(CC1)OCCO2 ZINC000004110778 562942037 /nfs/dbraw/zinc/94/20/37/562942037.db2.gz CEEQDMSKHRZVHK-LJAQVGFWSA-N 0 0 438.933 2.918 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c(OC)c1 ZINC000004143760 562942309 /nfs/dbraw/zinc/94/23/09/562942309.db2.gz NHANYQUWFGOOMZ-UHFFFAOYSA-N 0 0 433.468 2.855 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccncc3)CC2)cc1Cl ZINC000006090184 562946239 /nfs/dbraw/zinc/94/62/39/562946239.db2.gz MJLSBBVNEWXREC-UHFFFAOYSA-N 0 0 437.949 2.851 50 0 IFAARN O=C(Nc1ccc(Br)cn1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000006189588 562946496 /nfs/dbraw/zinc/94/64/96/562946496.db2.gz LPZMCVNRIIXCPQ-UHFFFAOYSA-N 0 0 430.349 2.945 50 0 IFAARN COc1ccc(OC)c(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)c1 ZINC000006577867 562947880 /nfs/dbraw/zinc/94/78/80/562947880.db2.gz JWVUGDAVVSSDRS-UHFFFAOYSA-N 0 0 441.557 2.921 50 0 IFAARN CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1nnc(C)s1 ZINC000006878496 562948470 /nfs/dbraw/zinc/94/84/70/562948470.db2.gz HGQDPCPTHBOGSV-UHFFFAOYSA-N 0 0 435.510 2.509 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000006921578 562948607 /nfs/dbraw/zinc/94/86/07/562948607.db2.gz IEPRLWGRDSYUHQ-SFHVURJKSA-N 0 0 427.998 2.832 50 0 IFAARN O=C(COc1ccccc1Cl)Nc1nnc(S(=O)(=O)N2CCCCCC2)s1 ZINC000008588202 562950618 /nfs/dbraw/zinc/95/06/18/562950618.db2.gz LSHQMFOYBDSNJK-UHFFFAOYSA-N 0 0 430.939 2.774 50 0 IFAARN CCN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000008588797 562950886 /nfs/dbraw/zinc/95/08/86/562950886.db2.gz YNOLKMUWJCJYIK-UHFFFAOYSA-N 0 0 436.917 2.883 50 0 IFAARN Cc1cccc(CCNC(=O)CCS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 ZINC000008588804 562950896 /nfs/dbraw/zinc/95/08/96/562950896.db2.gz QYYCMQCQUCFAAQ-UHFFFAOYSA-N 0 0 436.917 2.502 50 0 IFAARN COc1ccc(OC)c(CCNC(=O)CCCn2c(=O)c3cccn3c3cccnc32)c1 ZINC000008589015 562951021 /nfs/dbraw/zinc/95/10/21/562951021.db2.gz WTILBDMUWDVPEK-UHFFFAOYSA-N 0 0 434.496 2.806 50 0 IFAARN CC[C@@H](C)NC(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC000008589589 562951254 /nfs/dbraw/zinc/95/12/54/562951254.db2.gz HZUFRYXMRCHXNI-OAHLLOKOSA-N 0 0 443.569 2.947 50 0 IFAARN COc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1OC ZINC000008590561 562951796 /nfs/dbraw/zinc/95/17/96/562951796.db2.gz BAROPIODURICPR-ZDUSSCGKSA-N 0 0 448.497 2.534 50 0 IFAARN CCOc1cc(CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc(OCC)c1OCC ZINC000008590928 562951850 /nfs/dbraw/zinc/95/18/50/562951850.db2.gz CAMWKRYZCYPOFM-UHFFFAOYSA-N 0 0 448.541 2.880 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1c2cnn(C)c2c(=O)n(-c2ccc(C)cc2)c1=O ZINC000008592177 562952267 /nfs/dbraw/zinc/95/22/67/562952267.db2.gz BCDRSJPCKPCTPX-UHFFFAOYSA-N 0 0 431.496 2.704 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000008596685 562953835 /nfs/dbraw/zinc/95/38/35/562953835.db2.gz HZRFTFNMXPURHW-UHFFFAOYSA-N 0 0 446.504 2.686 50 0 IFAARN CCCCN(C)C(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000008596993 562953917 /nfs/dbraw/zinc/95/39/17/562953917.db2.gz KSEWWHKORCQBOF-UHFFFAOYSA-N 0 0 433.574 2.831 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000008599072 562954557 /nfs/dbraw/zinc/95/45/57/562954557.db2.gz SLFKXZNOJAJHHU-IBGZPJMESA-N 0 0 436.505 2.703 50 0 IFAARN CCC(C)(C)NC(=O)Cn1c(=O)ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000008600643 562955112 /nfs/dbraw/zinc/95/51/12/562955112.db2.gz DIOUZNFAJZWTEE-UHFFFAOYSA-N 0 0 433.574 2.727 50 0 IFAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2cccs2)cc1 ZINC000008601406 562955296 /nfs/dbraw/zinc/95/52/96/562955296.db2.gz KHMNTTWCJSOCKT-KRWDZBQOSA-N 0 0 432.523 2.597 50 0 IFAARN COc1ccc(OC)c2sc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nc21 ZINC000008601668 562955523 /nfs/dbraw/zinc/95/55/23/562955523.db2.gz KWJITWTVWHAMLI-SFHVURJKSA-N 0 0 441.509 2.802 50 0 IFAARN Cc1ccc(S(=O)(=O)CC(=O)N2CCN(c3nc4c(cccc4F)s3)CC2)cc1 ZINC000008601744 562955595 /nfs/dbraw/zinc/95/55/95/562955595.db2.gz GYMCYQJLTUWAPM-UHFFFAOYSA-N 0 0 433.530 2.866 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000008602713 562955880 /nfs/dbraw/zinc/95/58/80/562955880.db2.gz NAFUISALZVRJOL-UHFFFAOYSA-N 0 0 448.545 2.551 50 0 IFAARN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c1C ZINC000008603606 562955997 /nfs/dbraw/zinc/95/59/97/562955997.db2.gz ZQLXQVBZCKBDLS-INIZCTEOSA-N 0 0 443.525 2.788 50 0 IFAARN COc1cccc(CNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C)C(=O)N32)c1OC ZINC000008609137 562957644 /nfs/dbraw/zinc/95/76/44/562957644.db2.gz ZXQRKBHQMVGCPR-ZDUSSCGKSA-N 0 0 438.509 2.732 50 0 IFAARN CCc1nn(CCCC(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2cc3occc3n21 ZINC000008609869 562957986 /nfs/dbraw/zinc/95/79/86/562957986.db2.gz GHAGKUQUWRODTG-UHFFFAOYSA-N 0 0 438.484 2.918 50 0 IFAARN Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccc(F)cc3)n2)cc1 ZINC000008612213 562959055 /nfs/dbraw/zinc/95/90/55/562959055.db2.gz YBKHEBLOVNMLFJ-UHFFFAOYSA-N 0 0 438.507 2.983 50 0 IFAARN COc1cc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000008612520 562959227 /nfs/dbraw/zinc/95/92/27/562959227.db2.gz PTCFVEYCJLOAAI-GOSISDBHSA-N 0 0 433.526 2.850 50 0 IFAARN Cc1ccccc1Cn1nnc2c1nc(C1CCN(C(=O)c3ccccc3)CC1)[nH]c2=O ZINC000008612495 562959228 /nfs/dbraw/zinc/95/92/28/562959228.db2.gz QAMZCLRKJAQYJZ-UHFFFAOYSA-N 0 0 428.496 2.891 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cnnn4)cc3)CC2)cc1 ZINC000008613561 562959400 /nfs/dbraw/zinc/95/94/00/562959400.db2.gz YNAFAFWFNRPBLR-UHFFFAOYSA-N 0 0 427.530 2.847 50 0 IFAARN COc1ccc(COC(=O)NC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000008672170 562961007 /nfs/dbraw/zinc/96/10/07/562961007.db2.gz JHFNXCDNLOUMJV-UHFFFAOYSA-N 0 0 434.514 2.783 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008673301 562961164 /nfs/dbraw/zinc/96/11/64/562961164.db2.gz CTTOXQYZQLPXCM-UHFFFAOYSA-N 0 0 447.435 2.744 50 0 IFAARN COc1cc(-c2cc(C(=O)NN3CCN(C)CC3)c3ccccc3n2)cc(OC)c1OC ZINC000008691182 562963388 /nfs/dbraw/zinc/96/33/88/562963388.db2.gz SJQLIYMTUHVNKJ-UHFFFAOYSA-N 0 0 436.512 2.820 50 0 IFAARN COc1ccc(/C=C/C(=O)NC2CCCCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000008692940 562963652 /nfs/dbraw/zinc/96/36/52/562963652.db2.gz PRVWWPUFKKMAFS-ZRDIBKRKSA-N 0 0 436.574 2.958 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1C ZINC000008692805 562963655 /nfs/dbraw/zinc/96/36/55/562963655.db2.gz NGSFXOQSFMZWDH-UHFFFAOYSA-N 0 0 439.921 2.761 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCOc1cccc(Cl)c1 ZINC000008884683 562965797 /nfs/dbraw/zinc/96/57/97/562965797.db2.gz XVCQGTSTCPHEKG-UHFFFAOYSA-N 0 0 439.917 2.905 50 0 IFAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)C1=O ZINC000008902058 562965874 /nfs/dbraw/zinc/96/58/74/562965874.db2.gz CCSWWMVEYGWXKI-PSLXWICFSA-N 0 0 438.459 2.747 50 0 IFAARN COc1ccccc1OCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)CS(=O)(=O)C2 ZINC000008910510 562965935 /nfs/dbraw/zinc/96/59/35/562965935.db2.gz BFNCQSQFTPLGCK-UHFFFAOYSA-N 0 0 427.482 2.635 50 0 IFAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)NC[C@@H]1CCCO1 ZINC000008933466 562966172 /nfs/dbraw/zinc/96/61/72/562966172.db2.gz CEPCJBFHICHXMU-KRWDZBQOSA-N 0 0 434.471 2.834 50 0 IFAARN O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1)N1CCNC1=O ZINC000008965875 562966324 /nfs/dbraw/zinc/96/63/24/562966324.db2.gz KUYKUUVZXCLLIS-UHFFFAOYSA-N 0 0 447.904 2.796 50 0 IFAARN CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccccc1N1CCOCC1 ZINC000009111766 562967084 /nfs/dbraw/zinc/96/70/84/562967084.db2.gz BCAAIYPJJFAPGU-UHFFFAOYSA-N 0 0 440.935 2.828 50 0 IFAARN CN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000009125141 562967432 /nfs/dbraw/zinc/96/74/32/562967432.db2.gz CIIMXDXTGZQDEL-UHFFFAOYSA-N 0 0 430.427 2.614 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCC(C)CC4)C3)cc2C[C@@H]1C ZINC000009428780 562970548 /nfs/dbraw/zinc/97/05/48/562970548.db2.gz KLFUZVYRCOFPAB-HKUYNNGSSA-N 0 0 447.601 2.643 50 0 IFAARN CC[C@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)CC1 ZINC000009430583 562970645 /nfs/dbraw/zinc/97/06/45/562970645.db2.gz IMFJUFRISYECDQ-XYCLOBBJSA-N 0 0 449.617 2.984 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)CCS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)[C@@H]1C ZINC000009440390 562971153 /nfs/dbraw/zinc/97/11/53/562971153.db2.gz ASAZTYSECYWUMN-BZPMIXESSA-N 0 0 428.938 2.776 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1C ZINC000009462517 562971445 /nfs/dbraw/zinc/97/14/45/562971445.db2.gz YSBQUSHBAVZNMV-JKSUJKDBSA-N 0 0 426.469 2.894 50 0 IFAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 ZINC000009462753 562971460 /nfs/dbraw/zinc/97/14/60/562971460.db2.gz FQVXJUPZAGDTDC-MKXGPGLRSA-N 0 0 438.846 2.832 50 0 IFAARN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009466367 562971718 /nfs/dbraw/zinc/97/17/18/562971718.db2.gz WWVBEPQAVPCDGI-UHFFFAOYSA-N 0 0 448.541 2.817 50 0 IFAARN CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NC2CCCCC2)c2ccccc21 ZINC000009519594 562972884 /nfs/dbraw/zinc/97/28/84/562972884.db2.gz LGQXXDIQLSEWBL-UHFFFAOYSA-N 0 0 433.574 2.732 50 0 IFAARN COc1ccc(NC(=O)COC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1 ZINC000009530161 562973044 /nfs/dbraw/zinc/97/30/44/562973044.db2.gz VMZUTDOJDMZXDM-UHFFFAOYSA-N 0 0 431.470 2.560 50 0 IFAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000009559601 562973245 /nfs/dbraw/zinc/97/32/45/562973245.db2.gz OKSBRRUYVWEMQX-CQSZACIVSA-N 0 0 434.905 2.593 50 0 IFAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)cc1OC ZINC000009559515 562973262 /nfs/dbraw/zinc/97/32/62/562973262.db2.gz KGSJNUIJVWTTRZ-UHFFFAOYSA-N 0 0 449.348 2.787 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc(=O)c2ccccc2o1 ZINC000009562366 562973333 /nfs/dbraw/zinc/97/33/33/562973333.db2.gz IIXMQKMMNLDVDV-UHFFFAOYSA-N 0 0 448.884 2.720 50 0 IFAARN O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)NCc1ccccc1 ZINC000009578369 562973467 /nfs/dbraw/zinc/97/34/67/562973467.db2.gz VSQCKHIPGNEEBD-UHFFFAOYSA-N 0 0 446.536 2.505 50 0 IFAARN COc1ccc(OC)c(/C=C/C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 ZINC000009583228 562973518 /nfs/dbraw/zinc/97/35/18/562973518.db2.gz BZPOXRSIGYNNGC-JXMROGBWSA-N 0 0 444.553 2.867 50 0 IFAARN CCc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1 ZINC000009599029 562973766 /nfs/dbraw/zinc/97/37/66/562973766.db2.gz KEMDEVPTECXLKL-GOSISDBHSA-N 0 0 441.553 2.688 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC ZINC000009597728 562973778 /nfs/dbraw/zinc/97/37/78/562973778.db2.gz HZTVYKJUVFCBKA-UHFFFAOYSA-N 0 0 438.571 2.525 50 0 IFAARN COc1ccc(CC(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)cc1OC ZINC000009599900 562973871 /nfs/dbraw/zinc/97/38/71/562973871.db2.gz RGNHGRYAOQVMQZ-UHFFFAOYSA-N 0 0 448.526 2.738 50 0 IFAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N[C@@H]1CCS(=O)(=O)C1 ZINC000009612448 562974115 /nfs/dbraw/zinc/97/41/15/562974115.db2.gz DHGPJYLUAKPLQR-QGZVFWFLSA-N 0 0 440.550 2.601 50 0 IFAARN O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000009615809 562974266 /nfs/dbraw/zinc/97/42/66/562974266.db2.gz ODKVUBUIIMFHFV-UHFFFAOYSA-N 0 0 434.905 2.593 50 0 IFAARN COc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1S(N)(=O)=O ZINC000009632298 562974456 /nfs/dbraw/zinc/97/44/56/562974456.db2.gz JMVUWJIQULEDFQ-UHFFFAOYSA-N 0 0 426.494 2.951 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1N1CCCC1 ZINC000009670767 562975125 /nfs/dbraw/zinc/97/51/25/562975125.db2.gz QCQQSLIGZZRPCY-UHFFFAOYSA-N 0 0 429.542 2.868 50 0 IFAARN Cc1ccc(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)cc1C ZINC000009712572 562975707 /nfs/dbraw/zinc/97/57/07/562975707.db2.gz DTQUNZLFJFAAKE-UHFFFAOYSA-N 0 0 444.542 2.641 50 0 IFAARN CC(=O)c1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009714587 562975782 /nfs/dbraw/zinc/97/57/82/562975782.db2.gz GMWBTIUUQXDJKR-UHFFFAOYSA-N 0 0 446.525 2.708 50 0 IFAARN Cn1cc(C(=O)N2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009724490 562976108 /nfs/dbraw/zinc/97/61/08/562976108.db2.gz JUEDNRUIBCCNTG-UHFFFAOYSA-N 0 0 431.558 2.729 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccccc1OCC ZINC000009761818 562976610 /nfs/dbraw/zinc/97/66/10/562976610.db2.gz GNWFMCYFGHWISM-UHFFFAOYSA-N 0 0 437.452 2.825 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](c1ccccc1)N1CCCCC1 ZINC000009814239 562977163 /nfs/dbraw/zinc/97/71/63/562977163.db2.gz IWEGLPXBHQWOOO-QFIPXVFZSA-N 0 0 443.569 2.873 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)C1=O ZINC000009963375 562978083 /nfs/dbraw/zinc/97/80/83/562978083.db2.gz VELYZIGGZRMXRC-UHFFFAOYSA-N 0 0 439.512 2.990 50 0 IFAARN COc1ccc(CCNC(=O)C2=CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC ZINC000009963578 562978087 /nfs/dbraw/zinc/97/80/87/562978087.db2.gz GTUYGOXLESKWCQ-UHFFFAOYSA-N 0 0 448.516 2.523 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000009984968 562978218 /nfs/dbraw/zinc/97/82/18/562978218.db2.gz TYCOXYLFBRUHKK-UHFFFAOYSA-N 0 0 440.525 2.518 50 0 IFAARN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cn1 ZINC000009983295 562978236 /nfs/dbraw/zinc/97/82/36/562978236.db2.gz ZKSBMDNRQWLLPO-CHWSQXEVSA-N 0 0 439.921 2.794 50 0 IFAARN COc1ccc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)o2)cc1 ZINC000010187049 562978524 /nfs/dbraw/zinc/97/85/24/562978524.db2.gz YQTPEXYCICMRLU-CQSZACIVSA-N 0 0 434.499 2.599 50 0 IFAARN CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc3c(c1)OCCO3)CCO2 ZINC000012079925 562980743 /nfs/dbraw/zinc/98/07/43/562980743.db2.gz XTWYUWTXHNFZKX-NRFANRHFSA-N 0 0 437.540 2.563 50 0 IFAARN COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)c1 ZINC000012864630 562983295 /nfs/dbraw/zinc/98/32/95/562983295.db2.gz GNESOCQLAHPJRI-ZIAGYGMSSA-N 0 0 429.498 2.941 50 0 IFAARN CCOc1ccc(CCNC(=O)COC(=O)COc2ccc(C(C)=O)cc2)cc1OCC ZINC000012944269 562983583 /nfs/dbraw/zinc/98/35/83/562983583.db2.gz MWUFIJUWGGEMHY-UHFFFAOYSA-N 0 0 443.496 2.968 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)cc1OC ZINC000013001058 562983893 /nfs/dbraw/zinc/98/38/93/562983893.db2.gz BBTRNGCKYMSWCU-ZIAGYGMSSA-N 0 0 429.498 2.941 50 0 IFAARN Cc1ccc(C(=O)OCCOc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000013100949 562984395 /nfs/dbraw/zinc/98/43/95/562984395.db2.gz RIUKKPSIOFEWFE-UHFFFAOYSA-N 0 0 439.917 2.905 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2)C1 ZINC000013123596 562984737 /nfs/dbraw/zinc/98/47/37/562984737.db2.gz ZSYSWLASVLNMKZ-CZEPXGMWSA-N 0 0 446.573 2.793 50 0 IFAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCc3ccccc3)c(C)o2)c1 ZINC000015879145 563018103 /nfs/dbraw/zinc/01/81/03/563018103.db2.gz MXENLABZUNUTIB-UHFFFAOYSA-N 0 0 428.510 2.932 50 0 IFAARN COc1ccc(C)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000015936368 563018807 /nfs/dbraw/zinc/01/88/07/563018807.db2.gz ZMUHOLHSVMMYMU-OAHLLOKOSA-N 0 0 445.541 2.608 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3C)cc2C[C@@H]1C ZINC000015936378 563018826 /nfs/dbraw/zinc/01/88/26/563018826.db2.gz QKPIHWINKRFSSN-AWEZNQCLSA-N 0 0 433.505 2.739 50 0 IFAARN CCCN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(Cl)c1 ZINC000015937021 563019123 /nfs/dbraw/zinc/01/91/23/563019123.db2.gz YDJXVMXWJWPLNC-UHFFFAOYSA-N 0 0 426.904 2.999 50 0 IFAARN C[C@H]1c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc3c2N(CCC3)C1=O ZINC000015941388 563019431 /nfs/dbraw/zinc/01/94/31/563019431.db2.gz KOXRFDJSBGMYDY-HNNXBMFYSA-N 0 0 429.517 2.733 50 0 IFAARN COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000015941656 563019511 /nfs/dbraw/zinc/01/95/11/563019511.db2.gz PWOLAPMJRDRCJQ-ZDUSSCGKSA-N 0 0 434.539 2.608 50 0 IFAARN COc1ccc(CNC(=O)CS(=O)(=O)Cc2nc(-c3cccc(OC)c3)oc2C)cc1 ZINC000015944265 563020151 /nfs/dbraw/zinc/02/01/51/563020151.db2.gz WGVBYUNQGATRKF-UHFFFAOYSA-N 0 0 444.509 2.898 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)c1 ZINC000015944010 563020153 /nfs/dbraw/zinc/02/01/53/563020153.db2.gz MXJJHWYSFRBMLX-HNNXBMFYSA-N 0 0 448.526 2.500 50 0 IFAARN Cc1ccc(N2C(=O)N[C@](NS(=O)(=O)c3ccc(C)cc3)(C(F)(F)F)C2=O)cc1 ZINC000015952072 563020330 /nfs/dbraw/zinc/02/03/30/563020330.db2.gz GNEKNGOOHPASBH-QGZVFWFLSA-N 0 0 427.404 2.801 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)C1 ZINC000036208116 563091997 /nfs/dbraw/zinc/09/19/97/563091997.db2.gz UVOBWSVDXGGVSY-SCTDSRPQSA-N 0 0 442.025 2.933 50 0 IFAARN CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(OC)c(OC)c1)CCO2 ZINC000055042537 563142320 /nfs/dbraw/zinc/14/23/20/563142320.db2.gz KLJLDYBMIDTKMP-NRFANRHFSA-N 0 0 439.556 2.809 50 0 IFAARN O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945227 563142777 /nfs/dbraw/zinc/14/27/77/563142777.db2.gz SHOVMWWMRJAPPZ-HXUWFJFHSA-N 0 0 438.553 2.637 50 0 IFAARN O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC1CCCCC1 ZINC000056945436 563142780 /nfs/dbraw/zinc/14/27/80/563142780.db2.gz PNSKPADQZFZWGJ-OAQYLSRUSA-N 0 0 442.535 2.847 50 0 IFAARN COc1ccccc1NC(=O)NCCN1CCN(C(=O)Nc2ccccc2OC)CC1 ZINC000057431715 563143168 /nfs/dbraw/zinc/14/31/68/563143168.db2.gz ANRSVCOCKSMWID-UHFFFAOYSA-N 0 0 427.505 2.675 50 0 IFAARN COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000025106476 568636569 /nfs/dbraw/zinc/63/65/69/568636569.db2.gz GITRDNKLEITCFL-KRWDZBQOSA-N 0 0 432.542 2.858 50 0 IFAARN CCOc1cc(C(=O)CCC(=O)OCC(=O)Nc2cccc3nsnc32)ccc1O ZINC000019077369 568637370 /nfs/dbraw/zinc/63/73/70/568637370.db2.gz ZEHYTDHXJONBML-UHFFFAOYSA-N 0 0 429.454 2.940 50 0 IFAARN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2cccc3nsnc32)C1=O ZINC000019078448 568638466 /nfs/dbraw/zinc/63/84/66/568638466.db2.gz SEHIXZROUCJOGN-LJQANCHMSA-N 0 0 447.423 2.698 50 0 IFAARN O=S(=O)(c1cccc2nsnc21)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000019077545 568638494 /nfs/dbraw/zinc/63/84/94/568638494.db2.gz NVXATVITEUBCES-UHFFFAOYSA-N 0 0 438.962 2.730 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ccc3c(c2)OCCCO3)C1=O ZINC000025139828 568639277 /nfs/dbraw/zinc/63/92/77/568639277.db2.gz JFWJMNWOMYBANG-QFIPXVFZSA-N 0 0 441.509 2.829 50 0 IFAARN CCn1c(SCC(=O)OCC(=O)Nc2cccc3nsnc32)nnc1-c1ccco1 ZINC000019080019 568640985 /nfs/dbraw/zinc/64/09/85/568640985.db2.gz PZYHNOICGWPUMW-UHFFFAOYSA-N 0 0 444.498 2.837 50 0 IFAARN COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000000951758 568645619 /nfs/dbraw/zinc/64/56/19/568645619.db2.gz UEUMGVLMGUIUSR-HXUWFJFHSA-N 0 0 447.491 2.667 50 0 IFAARN COc1cc(OC)cc([C@@H](NC(=O)[C@H](C)n2c(=O)oc3ccccc32)c2nccn2C)c1 ZINC000025160653 568645635 /nfs/dbraw/zinc/64/56/35/568645635.db2.gz DYCCXPYWSFRCPW-VBKZILBWSA-N 0 0 436.468 2.812 50 0 IFAARN CC(=O)N(C[C@H](O)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000001070442 568654936 /nfs/dbraw/zinc/65/49/36/568654936.db2.gz SDVHDVJKYTZOBK-MSOLQXFVSA-N 0 0 431.286 2.663 50 0 IFAARN CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)N(NC(=O)c2ccc(Cl)cc2)C1=S ZINC000001075471 568656754 /nfs/dbraw/zinc/65/67/54/568656754.db2.gz JPJALPBFVUTKIX-HNNXBMFYSA-N 0 0 434.880 2.580 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000001201737 568737160 /nfs/dbraw/zinc/73/71/60/568737160.db2.gz LPMMYYDDMCJFRW-LYPXWFNGSA-N 0 0 440.546 2.868 50 0 IFAARN COc1ccc(CCNC(=O)C[C@@H](C)CC2=NS(=O)(=O)c3ccccc3N2)cc1OC ZINC000005985893 568739834 /nfs/dbraw/zinc/73/98/34/568739834.db2.gz DCVXGNMIEYAGCQ-HNNXBMFYSA-N 0 0 445.541 2.992 50 0 IFAARN O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)Nc1cccc2nsnc21 ZINC000019106148 568739881 /nfs/dbraw/zinc/73/98/81/568739881.db2.gz KHIMVRQTYLCRJE-UHFFFAOYSA-N 0 0 431.524 2.982 50 0 IFAARN O=C(CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cccc2nsnc21 ZINC000019103412 568739916 /nfs/dbraw/zinc/73/99/16/568739916.db2.gz FPOQULLTDPISCD-UHFFFAOYSA-N 0 0 438.509 2.996 50 0 IFAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005981478 568739919 /nfs/dbraw/zinc/73/99/19/568739919.db2.gz DGFWNQTURIHIDN-OAHLLOKOSA-N 0 0 445.566 2.820 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000031682126 568741679 /nfs/dbraw/zinc/74/16/79/568741679.db2.gz DUJZBPNGJYNJNA-UHFFFAOYSA-N 0 0 447.509 2.782 50 0 IFAARN CSc1ncccc1C(=O)N1CCC(CNC(=O)C(=O)NCCC2=CCCCC2)CC1 ZINC000043942735 568743725 /nfs/dbraw/zinc/74/37/25/568743725.db2.gz YOXZWCYFLOTOFF-UHFFFAOYSA-N 0 0 444.601 2.779 50 0 IFAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000003286527 568744979 /nfs/dbraw/zinc/74/49/79/568744979.db2.gz IRJHPIPBCUYRMY-UHFFFAOYSA-N 0 0 438.933 2.972 50 0 IFAARN O=C(c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)N1CCOCC1 ZINC000003288072 568745148 /nfs/dbraw/zinc/74/51/48/568745148.db2.gz OEHKUXBSSKPMSR-UHFFFAOYSA-N 0 0 425.304 2.722 50 0 IFAARN Cc1ccccc1-n1nnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000003296340 568745347 /nfs/dbraw/zinc/74/53/47/568745347.db2.gz BIENZBXYYAUGIP-UHFFFAOYSA-N 0 0 428.543 2.741 50 0 IFAARN C[C@H](NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 ZINC000003318037 568745996 /nfs/dbraw/zinc/74/59/96/568745996.db2.gz OYTUOJRBJNQHBJ-KRWDZBQOSA-N 0 0 430.526 2.895 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccccc2C(C)=O)C(C)C)cc1 ZINC000003398202 568748563 /nfs/dbraw/zinc/74/85/63/568748563.db2.gz NUHJENYUHXCJDB-NRFANRHFSA-N 0 0 426.469 2.834 50 0 IFAARN CCN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000003420162 568748847 /nfs/dbraw/zinc/74/88/47/568748847.db2.gz MYHUXXBQFQAFBT-MRXNPFEDSA-N 0 0 430.526 2.852 50 0 IFAARN CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C)s1 ZINC000003442194 568749691 /nfs/dbraw/zinc/74/96/91/568749691.db2.gz CTMNBWAGRYTLPH-MRXNPFEDSA-N 0 0 437.521 2.986 50 0 IFAARN COc1cc(OC)cc(C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@H]2CCS(=O)(=O)C2)c1 ZINC000334158005 568750844 /nfs/dbraw/zinc/75/08/44/568750844.db2.gz HRZYHCIBDCVRAD-KRWDZBQOSA-N 0 0 441.509 2.601 50 0 IFAARN COc1ccc(C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000334158659 568751083 /nfs/dbraw/zinc/75/10/83/568751083.db2.gz ZRSJBLRRPXTWBW-QGZVFWFLSA-N 0 0 441.509 2.601 50 0 IFAARN COc1ccccc1-n1nnnc1SCCSc1nnnn1-c1ccccc1OC ZINC000003624548 568751706 /nfs/dbraw/zinc/75/17/06/568751706.db2.gz MNPVPEBERHBQFQ-UHFFFAOYSA-N 0 0 442.530 2.540 50 0 IFAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(OC(C)=O)cc3)N2C1=O ZINC000003636782 568752293 /nfs/dbraw/zinc/75/22/93/568752293.db2.gz NQOHBBOMKJQTJR-SJLPKXTDSA-N 0 0 432.498 2.840 50 0 IFAARN CCOc1cc2c(cc1/C=C1\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)OCO2 ZINC000003659229 568752802 /nfs/dbraw/zinc/75/28/02/568752802.db2.gz XMEDUQCULUWRPH-CHHVJCJISA-N 0 0 443.843 2.999 50 0 IFAARN COC(=O)c1c2c(sc1[N-]C(NC(C)=O)(C(F)(F)F)C(F)(F)F)C[N@@H+](C)CC2 ZINC000003672208 568754119 /nfs/dbraw/zinc/75/41/19/568754119.db2.gz QJTZHASDCRQIBY-UHFFFAOYSA-N 0 0 433.374 2.892 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nnc(COc3ccccc3F)n2N)c1 ZINC000015278734 568754833 /nfs/dbraw/zinc/75/48/33/568754833.db2.gz RLSYUOHAFFCEIL-GFCCVEGCSA-N 0 0 447.492 2.847 50 0 IFAARN CC(C)CC[C@]1(C2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)NC(=O)NC1=O ZINC000299767017 568756420 /nfs/dbraw/zinc/75/64/20/568756420.db2.gz AHWZCFZFKMIYOX-HSZRJFAPSA-N 0 0 425.485 2.660 50 0 IFAARN COc1ccc([C@@]2(CC(=O)N3CCc4c(Cl)cccc4C3)CC(=O)N(C)C2=O)cc1 ZINC000299768874 568756455 /nfs/dbraw/zinc/75/64/55/568756455.db2.gz QONFFBBJMRCSOA-QHCPKHFHSA-N 0 0 426.900 2.950 50 0 IFAARN COc1ccc(OC[C@@H]2CCCN(C(=O)COc3ccc(N4CCCC4)nn3)C2)cc1 ZINC000299782572 568757287 /nfs/dbraw/zinc/75/72/87/568757287.db2.gz FUHKLSMYWQGZGG-GOSISDBHSA-N 0 0 426.517 2.782 50 0 IFAARN Cc1ccccc1[C@@]1(CC(=O)N(C)Cc2ccon2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299787594 568757497 /nfs/dbraw/zinc/75/74/97/568757497.db2.gz PKXCETDULUIDLJ-XMMPIXPASA-N 0 0 432.480 2.624 50 0 IFAARN O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCCc1cccs1)C2)c1cccnc1 ZINC000299787698 568757553 /nfs/dbraw/zinc/75/75/53/568757553.db2.gz ZSZHQGVEYZOONT-CYBMUJFWSA-N 0 0 426.523 2.956 50 0 IFAARN O=C(CNc1ccccc1N1CCCC1=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000015361518 568760202 /nfs/dbraw/zinc/76/02/02/568760202.db2.gz KVGIRHYIIGWGFL-GOSISDBHSA-N 0 0 433.574 2.574 50 0 IFAARN COC(=O)c1cn([C@@H](CCSC)c2nc(-c3ccccc3F)no2)cc2c(=O)[nH]nc1-2 ZINC000263588061 568760926 /nfs/dbraw/zinc/76/09/26/568760926.db2.gz OPAQFUFMNIQODU-HNNXBMFYSA-N 0 0 443.460 2.994 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC000015391545 568761644 /nfs/dbraw/zinc/76/16/44/568761644.db2.gz VWDJEFMPEPJUCN-LJQANCHMSA-N 0 0 443.569 2.869 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000015391562 568761743 /nfs/dbraw/zinc/76/17/43/568761743.db2.gz YQBOOBMFHHBWEY-KRWDZBQOSA-N 0 0 449.960 2.906 50 0 IFAARN O=C(NC1CCN(Cc2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1)C1CCCC1 ZINC000263615882 568776183 /nfs/dbraw/zinc/77/61/83/568776183.db2.gz FRZOQJQXMLPMNR-QFIPXVFZSA-N 0 0 427.524 2.960 50 0 IFAARN CCN(Cc1ccccc1)C(=O)Cn1ccn2nc(-c3ccc(OC)cc3)c(CO)c2c1=O ZINC000263616018 568776311 /nfs/dbraw/zinc/77/63/11/568776311.db2.gz GMVZAXIIEYZTRL-UHFFFAOYSA-N 0 0 446.507 2.713 50 0 IFAARN CCOCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000263617185 568777143 /nfs/dbraw/zinc/77/71/43/568777143.db2.gz MNWFGTSVBIMOQL-OAQYLSRUSA-N 0 0 440.544 2.550 50 0 IFAARN O=C(c1nnn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCN(c2ccc(F)cc2)CC1 ZINC000263618695 568777708 /nfs/dbraw/zinc/77/77/08/568777708.db2.gz VABOMZGUXIDRGK-FQEVSTJZSA-N 0 0 425.439 2.790 50 0 IFAARN O=C(NCC(F)F)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000263619640 568778301 /nfs/dbraw/zinc/77/83/01/568778301.db2.gz ZTBBKGHYEHRKBK-KRWDZBQOSA-N 0 0 436.434 2.527 50 0 IFAARN O=C(Nc1cccnc1)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000032104384 568781034 /nfs/dbraw/zinc/78/10/34/568781034.db2.gz YCTZEKFNDIUCCK-SIKLNZKXSA-N 0 0 428.492 2.801 50 0 IFAARN COc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3CC(=O)NCc2ccccc2)cc1 ZINC000032103645 568781096 /nfs/dbraw/zinc/78/10/96/568781096.db2.gz DRJSVUFPOPIXSD-UHFFFAOYSA-N 0 0 435.505 2.754 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc2c(c1)OCO2 ZINC000032123957 568781686 /nfs/dbraw/zinc/78/16/86/568781686.db2.gz BNRCGFXRASFFRO-PGRDOPGGSA-N 0 0 448.479 2.580 50 0 IFAARN CCn1c(=O)n(Cc2noc(CC(C)C)n2)nc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000083836815 568782858 /nfs/dbraw/zinc/78/28/58/568782858.db2.gz AMIZWVWCNGBEEK-UHFFFAOYSA-N 0 0 434.541 2.809 50 0 IFAARN CN(C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000083855556 568783471 /nfs/dbraw/zinc/78/34/71/568783471.db2.gz JLCGXPJZLGJICT-IRXDYDNUSA-N 0 0 449.495 2.971 50 0 IFAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(CS(=O)(=O)N2CCCC2)c1 ZINC000223219687 568785473 /nfs/dbraw/zinc/78/54/73/568785473.db2.gz CTEHDNJOIKSINA-HNNXBMFYSA-N 0 0 432.498 2.747 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cc(I)cn1)CCC2 ZINC000001432983 568795405 /nfs/dbraw/zinc/79/54/05/568795405.db2.gz XTMZXBJGMGHZKD-UHFFFAOYSA-N 0 0 445.282 2.853 50 0 IFAARN Cc1ccc(NC(=O)NC[C@H]2COC(C)(C)O2)cc1NC(=O)NC[C@@H]1COC(C)(C)O1 ZINC000084186119 568796048 /nfs/dbraw/zinc/79/60/48/568796048.db2.gz LAJGAPUAKVIKJB-JKSUJKDBSA-N 0 0 436.509 2.541 50 0 IFAARN Cc1ccccc1CNC(=O)Cn1nc2c(cc1=O)CN(C(=O)OCc1ccccc1)CC2 ZINC000084243958 568796583 /nfs/dbraw/zinc/79/65/83/568796583.db2.gz SKHJVMYBPBHONA-UHFFFAOYSA-N 0 0 446.507 2.563 50 0 IFAARN O=C(CS(=O)(=O)c1cccc(Br)c1)NCC1([C@H](O)c2ccccc2)CC1 ZINC000084522090 568798303 /nfs/dbraw/zinc/79/83/03/568798303.db2.gz HSLVGWKVUHRWRZ-GOSISDBHSA-N 0 0 438.343 2.853 50 0 IFAARN COC[C@](C)(CC(=O)OC)NC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 ZINC000084636874 568799318 /nfs/dbraw/zinc/79/93/18/568799318.db2.gz YLZIEGBLWZZVER-QHCPKHFHSA-N 0 0 427.501 2.982 50 0 IFAARN CC1CCC(NS(=O)(=O)CC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000084689377 568799942 /nfs/dbraw/zinc/79/99/42/568799942.db2.gz FGCDSYXHGFGBEJ-GQOXECLESA-N 0 0 426.554 2.831 50 0 IFAARN CCOC(=O)C[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1cccc(OC)c1 ZINC000084792602 568801340 /nfs/dbraw/zinc/80/13/40/568801340.db2.gz QXWPJSNMZPXGSU-NTLWEQJWSA-N 0 0 449.573 2.532 50 0 IFAARN CCS(=O)(=O)N(C)C1CCN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)CC1 ZINC000084811071 568801673 /nfs/dbraw/zinc/80/16/73/568801673.db2.gz LNZHGWLBUNRYFG-UHFFFAOYSA-N 0 0 430.574 2.701 50 0 IFAARN CCc1ccc(NC(=O)C2=CC(c3cc(OC)ccc3OC)=NS(=O)(=O)N2C)cc1 ZINC000015673499 568803267 /nfs/dbraw/zinc/80/32/67/568803267.db2.gz AGOQOOPSGQBTAF-UHFFFAOYSA-N 0 0 429.498 2.768 50 0 IFAARN CCc1ccccc1NC(=O)C1=CC(c2cc(OC)ccc2OC)=NS(=O)(=O)N1C ZINC000015673492 568803312 /nfs/dbraw/zinc/80/33/12/568803312.db2.gz DDSHIZKZOBPPEL-UHFFFAOYSA-N 0 0 429.498 2.768 50 0 IFAARN Nc1nnc(SCC(=O)Nc2ncc(Br)cc2Br)s1 ZINC000001438047 568804225 /nfs/dbraw/zinc/80/42/25/568804225.db2.gz PUCHHMPRVSQBGE-UHFFFAOYSA-N 0 0 425.131 2.771 50 0 IFAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCCC2)c(C)c1 ZINC000015680162 568805920 /nfs/dbraw/zinc/80/59/20/568805920.db2.gz BLJLQRWRFCHBBQ-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3cc(C)no3)cc2)cc1OC ZINC000015720708 568811529 /nfs/dbraw/zinc/81/15/29/568811529.db2.gz NCECBYSQVIQROE-UHFFFAOYSA-N 0 0 445.497 2.926 50 0 IFAARN CCCN1C(=O)c2cc(C(=O)N3CCCCCC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000015723877 568812268 /nfs/dbraw/zinc/81/22/68/568812268.db2.gz UBJCCTBBKYCQAT-HSZRJFAPSA-N 0 0 429.565 2.583 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(c3ncnc4onc(C)c43)CC2)c(OC)c1 ZINC000015728872 568813036 /nfs/dbraw/zinc/81/30/36/568813036.db2.gz JKSUPYZLEYIYHL-UHFFFAOYSA-N 0 0 425.489 2.519 50 0 IFAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1C ZINC000015728470 568813236 /nfs/dbraw/zinc/81/32/36/568813236.db2.gz HHBJDNAZNRNYHA-UHFFFAOYSA-N 0 0 433.555 2.997 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)CS4)CC2)c1 ZINC000015730680 568814087 /nfs/dbraw/zinc/81/40/87/568814087.db2.gz CXRIHCYOGLYIEJ-HNNXBMFYSA-N 0 0 447.582 2.886 50 0 IFAARN C[C@H]1CSc2ccc(S(=O)(=O)NCCN3CCc4ccccc4C3)cc2NC1=O ZINC000015731173 568814710 /nfs/dbraw/zinc/81/47/10/568814710.db2.gz AWOHJJYQBCYXBP-HNNXBMFYSA-N 0 0 431.583 2.704 50 0 IFAARN COc1ccccc1OCCSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[nH]n21 ZINC000015732587 568815432 /nfs/dbraw/zinc/81/54/32/568815432.db2.gz CNDNCORKGLTXDZ-UHFFFAOYSA-N 0 0 438.465 2.993 50 0 IFAARN COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2c(c(OC)c1OC)OCO2 ZINC000085413046 568818606 /nfs/dbraw/zinc/81/86/06/568818606.db2.gz UUFLUGRCQIXCBE-KUHUBIRLSA-N 0 0 426.377 2.605 50 0 IFAARN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000015773324 568823057 /nfs/dbraw/zinc/82/30/57/568823057.db2.gz FSMPAOZENJZRSP-QFIPXVFZSA-N 0 0 426.948 2.556 50 0 IFAARN CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000015773322 568823130 /nfs/dbraw/zinc/82/31/30/568823130.db2.gz FSMPAOZENJZRSP-JOCHJYFZSA-N 0 0 426.948 2.556 50 0 IFAARN O=C(CCc1nnc2ccc(NCc3ccc(F)cc3)nn21)NCc1ccc2c(c1)OCO2 ZINC000015776383 568823862 /nfs/dbraw/zinc/82/38/62/568823862.db2.gz LCTGFKGQMVCWLR-UHFFFAOYSA-N 0 0 448.458 2.853 50 0 IFAARN CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc21 ZINC000015781445 568825742 /nfs/dbraw/zinc/82/57/42/568825742.db2.gz DNVGTUSOTCSJIP-UHFFFAOYSA-N 0 0 437.543 2.548 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1)C(=O)CS2 ZINC000015783032 568826529 /nfs/dbraw/zinc/82/65/29/568826529.db2.gz ROQQNKXOIXCCRX-UHFFFAOYSA-N 0 0 433.555 2.795 50 0 IFAARN O=C(CCCNC(=O)c1ccccc1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000063700236 568828231 /nfs/dbraw/zinc/82/82/31/568828231.db2.gz QIGNHMFTCDLWKA-UHFFFAOYSA-N 0 0 439.947 2.842 50 0 IFAARN COc1ccccc1NC(=O)CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000085645079 568830039 /nfs/dbraw/zinc/83/00/39/568830039.db2.gz ZCCCXZBIGQTVCE-UHFFFAOYSA-N 0 0 443.529 2.643 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)c(C)c1 ZINC000085650899 568830890 /nfs/dbraw/zinc/83/08/90/568830890.db2.gz BSWNUPNOQCZTCA-UHFFFAOYSA-N 0 0 446.573 2.907 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCCC3)c2)c(C)c1 ZINC000085650852 568830914 /nfs/dbraw/zinc/83/09/14/568830914.db2.gz ZJHTVZGRRAFWQL-UHFFFAOYSA-N 0 0 432.546 2.517 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCCC2)cc1 ZINC000085651638 568831458 /nfs/dbraw/zinc/83/14/58/568831458.db2.gz QPKHYUPRIPJYLC-UHFFFAOYSA-N 0 0 431.539 2.795 50 0 IFAARN O=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCC1=CCCCC1 ZINC000085651875 568831617 /nfs/dbraw/zinc/83/16/17/568831617.db2.gz VPPKHEWDKQPGRA-UHFFFAOYSA-N 0 0 449.598 2.854 50 0 IFAARN Cc1ccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3sc2=O)cc1 ZINC000085651935 568831620 /nfs/dbraw/zinc/83/16/20/568831620.db2.gz KSDYGRSFNXTWDY-UHFFFAOYSA-N 0 0 431.539 2.795 50 0 IFAARN CC(=O)Oc1ccc(Br)cc1C1=NN(C(C)=O)[C@H](Cn2nc(C)cc2C)O1 ZINC000015785752 568832455 /nfs/dbraw/zinc/83/24/55/568832455.db2.gz RKNSQXHVLVKJIP-KRWDZBQOSA-N 0 0 435.278 2.754 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1C ZINC000085654355 568833482 /nfs/dbraw/zinc/83/34/82/568833482.db2.gz OMVUEHYFJQJQEE-UHFFFAOYSA-N 0 0 438.553 2.669 50 0 IFAARN CCOc1ccc2nc(NC(=O)c3nn(-c4ccc(C)cc4)c(=O)n(C)c3=O)sc2c1 ZINC000015786467 568836145 /nfs/dbraw/zinc/83/61/45/568836145.db2.gz NMPYZJKWKNENFO-UHFFFAOYSA-N 0 0 437.481 2.500 50 0 IFAARN CC(C)OCCCNC(=O)CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21 ZINC000015787050 568836512 /nfs/dbraw/zinc/83/65/12/568836512.db2.gz GBLODHNWOMCAEQ-UHFFFAOYSA-N 0 0 438.528 2.681 50 0 IFAARN O=C(CCC/C=C\C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1)NCC1CC1 ZINC000583652957 568837742 /nfs/dbraw/zinc/83/77/42/568837742.db2.gz KVKRYMGBWCAHHK-PPSVZNDDSA-N 0 0 443.584 2.983 50 0 IFAARN COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)cc2c1OCCCO2 ZINC000085877169 568838593 /nfs/dbraw/zinc/83/85/93/568838593.db2.gz DVRYPIWFXPKVOI-QGZVFWFLSA-N 0 0 437.452 2.666 50 0 IFAARN CCOC(=O)CNC(=O)N1CCC(c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000015827965 568841149 /nfs/dbraw/zinc/84/11/49/568841149.db2.gz IKQGXSUXVVRKHB-UHFFFAOYSA-N 0 0 431.518 2.551 50 0 IFAARN CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000006632008 568842390 /nfs/dbraw/zinc/84/23/90/568842390.db2.gz DNMISKGVNCVSCQ-TYCQWZJGSA-N 0 0 442.512 2.934 50 0 IFAARN COc1cc(OC)c([C@@H]2Nc3ccccc3-n3cc4c(c32)n(C)c(=O)n(C)c4=O)cc1OC ZINC000015834436 568842718 /nfs/dbraw/zinc/84/27/18/568842718.db2.gz NRHDLNZJSUMJNH-FQEVSTJZSA-N 0 0 448.479 2.569 50 0 IFAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1c(C)n[nH]c1C ZINC000006147753 568846430 /nfs/dbraw/zinc/84/64/30/568846430.db2.gz CZHZQYGCQVFXKQ-UHFFFAOYSA-N 0 0 436.563 2.555 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3cccc(N4C(=O)C(C)(C)CS4(=O)=O)c3)CC2)c1 ZINC000015858614 568846763 /nfs/dbraw/zinc/84/67/63/568846763.db2.gz CKVGIHIRDDUXPJ-UHFFFAOYSA-N 0 0 441.553 2.660 50 0 IFAARN Cc1ccn2c(c1)nc(C)c(Cc1nnc(SCC(=O)Nc3ccccc3)n1C)c2=O ZINC000015859212 568846977 /nfs/dbraw/zinc/84/69/77/568846977.db2.gz SYNRXUFFMUKBNY-UHFFFAOYSA-N 0 0 434.525 2.761 50 0 IFAARN COc1cc(C(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc(OC)c1OC ZINC000015861964 568848368 /nfs/dbraw/zinc/84/83/68/568848368.db2.gz RMTDNFCEADADPT-UHFFFAOYSA-N 0 0 437.499 2.946 50 0 IFAARN COc1ccccc1C(=O)n1nc(C)c(S(=O)(=O)N2CCc3ccccc3C2)c1C ZINC000015865215 568849938 /nfs/dbraw/zinc/84/99/38/568849938.db2.gz IXKBZRFPRZOFMY-UHFFFAOYSA-N 0 0 425.510 2.944 50 0 IFAARN CCCOc1ccc(-c2nc3c([nH]c(=O)n3-c3ccc(F)cc3)c(C(N)=O)n2)cc1OC ZINC000015865180 568849943 /nfs/dbraw/zinc/84/99/43/568849943.db2.gz WGFNDNBMUJNEJH-UHFFFAOYSA-N 0 0 437.431 2.811 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000015881853 568855730 /nfs/dbraw/zinc/85/57/30/568855730.db2.gz WDAROCLYXWLFES-UHFFFAOYSA-N 0 0 433.530 2.948 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3[nH]c(=O)cc(C)n31)CCCC2 ZINC000015881749 568856192 /nfs/dbraw/zinc/85/61/92/568856192.db2.gz FWFRWQHCRYGBNJ-UHFFFAOYSA-N 0 0 447.542 2.986 50 0 IFAARN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)cc1 ZINC000015882577 568856994 /nfs/dbraw/zinc/85/69/94/568856994.db2.gz LXQPYPCEHTWRLF-XMMPIXPASA-N 0 0 428.536 2.922 50 0 IFAARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000015882600 568857127 /nfs/dbraw/zinc/85/71/27/568857127.db2.gz JMIPTCNFUUCHDE-NRFANRHFSA-N 0 0 444.491 2.665 50 0 IFAARN COc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000015884038 568857938 /nfs/dbraw/zinc/85/79/38/568857938.db2.gz FFHYSUOEBRYIEB-UHFFFAOYSA-N 0 0 443.511 2.798 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)c1 ZINC000015884231 568858073 /nfs/dbraw/zinc/85/80/73/568858073.db2.gz MEMPGFMYHDDNML-UHFFFAOYSA-N 0 0 429.498 2.827 50 0 IFAARN O=C(Nc1cnc(-c2ccccc2)nc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000012936269 568865327 /nfs/dbraw/zinc/86/53/27/568865327.db2.gz VOKVHBRAXACIAR-UHFFFAOYSA-N 0 0 447.520 2.943 50 0 IFAARN Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2C)c(=O)n(-c2ccccc2)n1C ZINC000012936813 568866242 /nfs/dbraw/zinc/86/62/42/568866242.db2.gz LNVWTDLHWQPNHU-HNNXBMFYSA-N 0 0 449.540 2.794 50 0 IFAARN CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000012941474 568869924 /nfs/dbraw/zinc/86/99/24/568869924.db2.gz OIKFRZWMLNKFBR-UHFFFAOYSA-N 0 0 446.598 2.957 50 0 IFAARN O=C(NCCc1ccccc1F)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012944267 568870450 /nfs/dbraw/zinc/87/04/50/568870450.db2.gz XIHFEDIVAGNRKP-UHFFFAOYSA-N 0 0 425.913 2.738 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccn2C)cc1 ZINC000012946522 568871331 /nfs/dbraw/zinc/87/13/31/568871331.db2.gz LZGNDSKQOQEEHX-IBGZPJMESA-N 0 0 425.576 2.581 50 0 IFAARN COc1cc(OC)c(N2C[C@@H](C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2=O)cc1Cl ZINC000012947355 568871461 /nfs/dbraw/zinc/87/14/61/568871461.db2.gz VJVNPXBLBSXRGV-JTQLQIEISA-N 0 0 430.848 2.518 50 0 IFAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccccc1I ZINC000016277471 568875372 /nfs/dbraw/zinc/87/53/72/568875372.db2.gz NATIAHUSMPZTOS-UHFFFAOYSA-N 0 0 439.184 2.886 50 0 IFAARN CCn1ncc(Br)c1CN(C)C(=O)c1cc2ncc(Br)cn2n1 ZINC000002808829 568876497 /nfs/dbraw/zinc/87/64/97/568876497.db2.gz RYNGFNOARIWSOQ-UHFFFAOYSA-N 0 0 442.115 2.743 50 0 IFAARN COc1nc(CNS(=O)(=O)c2cc(C)c(Cl)cc2Cl)nc(N2CCCCC2)n1 ZINC000575605418 568878001 /nfs/dbraw/zinc/87/80/01/568878001.db2.gz AHSPTZXNITWWJJ-UHFFFAOYSA-N 0 0 446.360 2.964 50 0 IFAARN O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1cc(Cl)sc1Cl ZINC000575604897 568878030 /nfs/dbraw/zinc/87/80/30/568878030.db2.gz DGMDVWDUXMFNII-UHFFFAOYSA-N 0 0 443.360 2.607 50 0 IFAARN COc1nc(CNC(=O)c2cccc(Oc3ccc(F)cc3)c2)nc(N2CCOCC2)n1 ZINC000575606233 568878071 /nfs/dbraw/zinc/87/80/71/568878071.db2.gz GVBSTFRPQKIKNE-UHFFFAOYSA-N 0 0 439.447 2.578 50 0 IFAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Oc3ncc(Cl)cn3)C2)cc1 ZINC000575609102 568878670 /nfs/dbraw/zinc/87/86/70/568878670.db2.gz JAIKHMCHRCNABI-QGZVFWFLSA-N 0 0 437.949 2.925 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)Nc3cc4c(cc3F)N(C)S(=O)(=O)N4C)CC2=O)cc1C ZINC000575611001 568878949 /nfs/dbraw/zinc/87/89/49/568878949.db2.gz CYMJHSOJSUZKDA-CQSZACIVSA-N 0 0 446.504 2.565 50 0 IFAARN CN1c2ccc(F)cc2N(CCNC(=O)c2cc(Br)cs2)S1(=O)=O ZINC000575612110 568879223 /nfs/dbraw/zinc/87/92/23/568879223.db2.gz KNCIDXQIQRXENZ-UHFFFAOYSA-N 0 0 434.312 2.581 50 0 IFAARN COc1ccc(Br)cc1C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000026537596 568880052 /nfs/dbraw/zinc/88/00/52/568880052.db2.gz BRIJTVYXMMRIFK-UHFFFAOYSA-N 0 0 433.306 2.559 50 0 IFAARN COc1ccccc1[C@H](C1=C(OC(C)=O)COC1=O)c1cc2c(cc1OC(C)=O)OCO2 ZINC000000636270 568880127 /nfs/dbraw/zinc/88/01/27/568880127.db2.gz FIXBQJYNYPGCLX-NRFANRHFSA-N 0 0 440.404 2.855 50 0 IFAARN O=S(=O)(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(OC(F)(F)F)cc1 ZINC000575616985 568881638 /nfs/dbraw/zinc/88/16/38/568881638.db2.gz PDXBBYZXRZBXCU-SECBINFHSA-N 0 0 444.357 2.780 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@@H](c2csc3ccccc32)N(C)C)cc1C(N)=O ZINC000575618813 568882372 /nfs/dbraw/zinc/88/23/72/568882372.db2.gz CSUPGTNPBHPCCL-KRWDZBQOSA-N 0 0 433.555 2.590 50 0 IFAARN O=C(NCc1nccnc1-c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000575621556 568883235 /nfs/dbraw/zinc/88/32/35/568883235.db2.gz YTSHDVVKRGLJCZ-UHFFFAOYSA-N 0 0 428.539 2.920 50 0 IFAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)C(=O)NC1CCCC1 ZINC000102424109 568884811 /nfs/dbraw/zinc/88/48/11/568884811.db2.gz NDCFWRZCYCLZJX-IXDOHACOSA-N 0 0 436.574 2.957 50 0 IFAARN CC(=O)O[C@@H]1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1 ZINC000035489112 568885251 /nfs/dbraw/zinc/88/52/51/568885251.db2.gz FHVFCXBTGPBRDH-HUDJVWMTSA-N 0 0 443.540 2.794 50 0 IFAARN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000229513106 568886617 /nfs/dbraw/zinc/88/66/17/568886617.db2.gz AWNMUQQXYNGWOW-OXJNMPFZSA-N 0 0 431.920 2.679 50 0 IFAARN COc1ccc(-n2nncc2CN2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cc1F ZINC000090590556 568888511 /nfs/dbraw/zinc/88/85/11/568888511.db2.gz BJVMNBHHACJDTB-UHFFFAOYSA-N 0 0 435.503 2.791 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 ZINC000090607992 568890562 /nfs/dbraw/zinc/89/05/62/568890562.db2.gz DEGGDUFMTIBCDG-UHFFFAOYSA-N 0 0 433.472 2.741 50 0 IFAARN CCOC(=O)C1CCN(c2nc(C)cc(=O)n2CC(=O)Nc2c(C)cccc2Cl)CC1 ZINC000090610193 568891962 /nfs/dbraw/zinc/89/19/62/568891962.db2.gz WINXTLZFRPYLIC-UHFFFAOYSA-N 0 0 446.935 2.932 50 0 IFAARN CCSc1ccccc1C(=O)OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000012980063 568891993 /nfs/dbraw/zinc/89/19/93/568891993.db2.gz LRWZARTXWCQKCW-MRXNPFEDSA-N 0 0 425.572 2.914 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000006353945 568893515 /nfs/dbraw/zinc/89/35/15/568893515.db2.gz QBTITTZUJCLZRL-LYPXWFNGSA-N 0 0 439.924 2.847 50 0 IFAARN C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CCCO1 ZINC000012981731 568894581 /nfs/dbraw/zinc/89/45/81/568894581.db2.gz DHAZPJRAMYHICX-DOMZBBRYSA-N 0 0 436.361 2.577 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)COc1cccc(-n3cnnn3)c1)C[C@H](C)CC2 ZINC000012989174 568895277 /nfs/dbraw/zinc/89/52/77/568895277.db2.gz BBSFWCAFLBZGEE-GFCCVEGCSA-N 0 0 427.486 2.653 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)C1 ZINC000032841554 568895916 /nfs/dbraw/zinc/89/59/16/568895916.db2.gz MHNAHWYHKNKBKA-CQSZACIVSA-N 0 0 437.418 2.975 50 0 IFAARN COc1ccc(C2N=NC(=S)N2CC(=O)NCC(=O)Nc2cccc(C)c2C)cc1 ZINC000013001874 568898329 /nfs/dbraw/zinc/89/83/29/568898329.db2.gz SBAMHAKZLRYJDK-UHFFFAOYSA-N 0 0 425.514 2.614 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000013003541 568898502 /nfs/dbraw/zinc/89/85/02/568898502.db2.gz WXMOZSCOSXPVHL-UHFFFAOYSA-N 0 0 443.507 2.886 50 0 IFAARN COc1cc(CN(C)CC(=O)NCC(=O)Nc2ccc(F)cc2)ccc1OC(F)F ZINC000013003313 568898534 /nfs/dbraw/zinc/89/85/34/568898534.db2.gz NLCPAGZBTPANPJ-UHFFFAOYSA-N 0 0 425.407 2.622 50 0 IFAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)cs1 ZINC000013003336 568898583 /nfs/dbraw/zinc/89/85/83/568898583.db2.gz VVNGQONMTGNYKD-QFIPXVFZSA-N 0 0 432.549 2.920 50 0 IFAARN CC(C)OCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000013004112 568898661 /nfs/dbraw/zinc/89/86/61/568898661.db2.gz PTVSQGCBWGDVMW-UHFFFAOYSA-N 0 0 433.368 2.779 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000013005529 568899257 /nfs/dbraw/zinc/89/92/57/568899257.db2.gz QRSBZXURSRPHST-BBRMVZONSA-N 0 0 445.379 2.779 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2nnn(OCc3ccc(Br)cc3)c2c1 ZINC000013006182 568899343 /nfs/dbraw/zinc/89/93/43/568899343.db2.gz SJUGYQJMCYEXEW-UHFFFAOYSA-N 0 0 439.335 2.853 50 0 IFAARN CCOC(=O)c1sc2nc(C)n(C[C@@H](O)COCc3ccccc3F)c(=O)c2c1C ZINC000013006015 568899386 /nfs/dbraw/zinc/89/93/86/568899386.db2.gz VDNQBOTZMZZKDR-OAHLLOKOSA-N 0 0 434.489 2.968 50 0 IFAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)OCCN1C(=O)c2ccccc2C1=O ZINC000001772793 568899486 /nfs/dbraw/zinc/89/94/86/568899486.db2.gz SNOVQYSYVDFLKV-UHFFFAOYSA-N 0 0 434.448 2.682 50 0 IFAARN COC(=O)c1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000013012091 568901008 /nfs/dbraw/zinc/90/10/08/568901008.db2.gz BQCCEZFEQVSKFP-UHFFFAOYSA-N 0 0 443.525 2.500 50 0 IFAARN NC(=O)[C@@H]1CC(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)=NN1c1ccc(F)cc1 ZINC000013012017 568901072 /nfs/dbraw/zinc/90/10/72/568901072.db2.gz BHUVSVLYWITUQZ-SFHVURJKSA-N 0 0 435.415 2.730 50 0 IFAARN CO[C@@H]1CCN(c2ccc(C(=O)N3CC(n4cc(COc5ccccc5)nn4)C3)cc2)C1 ZINC000245053426 568902585 /nfs/dbraw/zinc/90/25/85/568902585.db2.gz OTYFDUCXWCGQPT-HSZRJFAPSA-N 0 0 433.512 2.779 50 0 IFAARN CCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 ZINC000089274541 568909763 /nfs/dbraw/zinc/90/97/63/568909763.db2.gz CJIADYUJCVHNDO-CQSZACIVSA-N 0 0 426.539 2.921 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCSC[C@H]3CCO)ccc2Cl)C1 ZINC000242317024 568912754 /nfs/dbraw/zinc/91/27/54/568912754.db2.gz YWQPFIFRIUSSQQ-GDBMZVCRSA-N 0 0 447.022 2.701 50 0 IFAARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1F)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000245240521 568913331 /nfs/dbraw/zinc/91/33/31/568913331.db2.gz ZAOKSCPLTUYESP-CROCCGIJSA-N 0 0 434.398 2.692 50 0 IFAARN CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000026819134 568917513 /nfs/dbraw/zinc/91/75/13/568917513.db2.gz ALWVEZNXUOYVPO-NSHDSACASA-N 0 0 428.757 2.772 50 0 IFAARN CN(CCCC(=O)n1ccc(=NCC(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000089340328 568921276 /nfs/dbraw/zinc/92/12/76/568921276.db2.gz LBXSZVQAEMVKCT-UHFFFAOYSA-N 0 0 433.427 2.831 50 0 IFAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1S(N)(=O)=O ZINC000026902501 568924161 /nfs/dbraw/zinc/92/41/61/568924161.db2.gz BPTITJJUUFRCOT-KRWDZBQOSA-N 0 0 443.550 2.684 50 0 IFAARN COc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)c1 ZINC000089470187 568926512 /nfs/dbraw/zinc/92/65/12/568926512.db2.gz IVOXDRWLAOPNEE-UHFFFAOYSA-N 0 0 443.569 2.832 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cc1 ZINC000089496685 568926921 /nfs/dbraw/zinc/92/69/21/568926921.db2.gz WOGPWMPVTQPSAL-KKSFZXQISA-N 0 0 443.569 2.964 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)NCCC4=CCCCC4)cc32)no1 ZINC000064450628 568928584 /nfs/dbraw/zinc/92/85/84/568928584.db2.gz BMQJJNFIJCZETR-UHFFFAOYSA-N 0 0 446.529 2.726 50 0 IFAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc32)no1 ZINC000064450589 568928656 /nfs/dbraw/zinc/92/86/56/568928656.db2.gz BGAARJFQXDELAN-UHFFFAOYSA-N 0 0 428.470 2.721 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc32)no1 ZINC000064450708 568928794 /nfs/dbraw/zinc/92/87/94/568928794.db2.gz MYIQLZKXGPKWEP-UHFFFAOYSA-N 0 0 428.470 2.667 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)c(F)c4)cc32)no1 ZINC000064450690 568928891 /nfs/dbraw/zinc/92/88/91/568928891.db2.gz WVFVTTHRFCUJCL-UHFFFAOYSA-N 0 0 446.460 2.806 50 0 IFAARN COc1ccc(C(=O)Nc2cc3c(cc2N2CCC(C)CC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000064526206 568931402 /nfs/dbraw/zinc/93/14/02/568931402.db2.gz UAWSSFGUVCXAFL-UHFFFAOYSA-N 0 0 436.512 2.734 50 0 IFAARN CC(C)CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)Nc3cccc(F)c3)nn2C)C1 ZINC000064565590 568932472 /nfs/dbraw/zinc/93/24/72/568932472.db2.gz HPMJWYXFPDSHDS-UHFFFAOYSA-N 0 0 443.523 2.639 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(C(=O)c2cc(OC)cc(OC)c2)CC3)n1C ZINC000064567046 568933319 /nfs/dbraw/zinc/93/33/19/568933319.db2.gz MWDUDZAFHBXTKT-UHFFFAOYSA-N 0 0 442.545 2.543 50 0 IFAARN CSc1nnc(-c2nn(C)c3c2CN(C(=O)COc2ccc(Cl)cc2)CC3)n1C ZINC000064567095 568933356 /nfs/dbraw/zinc/93/33/56/568933356.db2.gz PBNKVPIRGKQLST-UHFFFAOYSA-N 0 0 432.937 2.555 50 0 IFAARN CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)c1ccc(OC)c(OC)c1)CC2 ZINC000064567128 568933389 /nfs/dbraw/zinc/93/33/89/568933389.db2.gz SKMQNBOYXNORHS-UHFFFAOYSA-N 0 0 442.545 2.636 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(C(=O)CCc2ccc(OC)cc2)CC3)n1C ZINC000064567049 568933417 /nfs/dbraw/zinc/93/34/17/568933417.db2.gz NSRRTXOTGNNPLN-UHFFFAOYSA-N 0 0 440.573 2.854 50 0 IFAARN CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2C(=O)[O-])CC1 ZINC000064580596 568934543 /nfs/dbraw/zinc/93/45/43/568934543.db2.gz NIXQHHZIVRMHMQ-UHFFFAOYSA-N 0 0 425.457 2.606 50 0 IFAARN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)N(C)C)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000035966406 568935107 /nfs/dbraw/zinc/93/51/07/568935107.db2.gz DFHMGYHHBCGGJO-RXVVDRJESA-N 0 0 426.561 2.989 50 0 IFAARN COc1ccc(CNC(=O)CCCc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)cc1 ZINC000064591392 568935494 /nfs/dbraw/zinc/93/54/94/568935494.db2.gz HFDDJJCBPGAJAY-UHFFFAOYSA-N 0 0 435.459 2.667 50 0 IFAARN C[C@@H](Sc1nnc(Cc2cccc3ccccc32)n1N)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000006600292 568935612 /nfs/dbraw/zinc/93/56/12/568935612.db2.gz UFXIZVWOEISXKD-BZUAXINKSA-N 0 0 425.558 2.852 50 0 IFAARN COc1ccccc1NC(=O)CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12 ZINC000064593319 568935748 /nfs/dbraw/zinc/93/57/48/568935748.db2.gz BFCNTRMZAPMWRF-UHFFFAOYSA-N 0 0 425.445 2.759 50 0 IFAARN COc1ccccc1-n1ccn2c(SCC(=O)Nc3cc(F)ccc3F)nnc2c1=O ZINC000064593095 568935780 /nfs/dbraw/zinc/93/57/80/568935780.db2.gz JPPHAYXYGPPILR-UHFFFAOYSA-N 0 0 443.435 2.898 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1=O)C3 ZINC000100792639 568936501 /nfs/dbraw/zinc/93/65/01/568936501.db2.gz WUGRUJALTBGRMC-OAQYLSRUSA-N 0 0 435.480 2.884 50 0 IFAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccc3c(c2)OCO3)c1=O ZINC000064605022 568939099 /nfs/dbraw/zinc/93/90/99/568939099.db2.gz NMZLBBPQZFXIJX-UHFFFAOYSA-N 0 0 440.843 2.890 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000027025359 568939453 /nfs/dbraw/zinc/93/94/53/568939453.db2.gz DATWFLTZESFLSZ-GANRHZMWSA-N 0 0 428.897 2.963 50 0 IFAARN CCCCNC(=O)[C@@H]1CN(C(=S)NC(C)C)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044712 568944070 /nfs/dbraw/zinc/94/40/70/568944070.db2.gz VXVDGSPJZDCPTA-DLBZAZTESA-N 0 0 437.606 2.927 50 0 IFAARN CC(C)N(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)C1CC1 ZINC000036074225 568946367 /nfs/dbraw/zinc/94/63/67/568946367.db2.gz TWXNOUMIAIJWCR-UHFFFAOYSA-N 0 0 439.535 2.968 50 0 IFAARN CCC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)CC1CC1 ZINC000036083252 568947035 /nfs/dbraw/zinc/94/70/35/568947035.db2.gz KDKZTFIUBSQFGP-UHFFFAOYSA-N 0 0 439.535 2.970 50 0 IFAARN CN(Cc1ccccc1)C(=O)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2)c1=O ZINC000036085464 568947863 /nfs/dbraw/zinc/94/78/63/568947863.db2.gz FRUOJLCMJQIUOQ-UHFFFAOYSA-N 0 0 444.466 2.854 50 0 IFAARN O=C(NCc1ccc(F)cc1)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2)c1=O ZINC000036085454 568947975 /nfs/dbraw/zinc/94/79/75/568947975.db2.gz UKEZJIDHUSOGHE-UHFFFAOYSA-N 0 0 448.429 2.651 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000036086562 568949044 /nfs/dbraw/zinc/94/90/44/568949044.db2.gz ANQRNTUIFPANMA-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NC3CC3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 ZINC000036086755 568949253 /nfs/dbraw/zinc/94/92/53/568949253.db2.gz GMWGOFSQNCTEFL-UHFFFAOYSA-N 0 0 444.413 2.662 50 0 IFAARN CCCNC(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036089155 568950181 /nfs/dbraw/zinc/95/01/81/568950181.db2.gz QCRLCTVCFMOYOF-UHFFFAOYSA-N 0 0 426.904 2.853 50 0 IFAARN CCCCn1c(CCC(=O)NCC(F)(F)F)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000036093542 568950845 /nfs/dbraw/zinc/95/08/45/568950845.db2.gz RWZZPVRYTGRPMO-UHFFFAOYSA-N 0 0 434.484 2.698 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)cccc2C(=O)NCc2ccc(F)cc2F)cc1 ZINC000064755214 568951111 /nfs/dbraw/zinc/95/11/11/568951111.db2.gz AGQSOPNBSJVILE-UHFFFAOYSA-N 0 0 427.407 2.704 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3cc(C(=O)NCC4CC4)ccc3c2=O)cc1Cl ZINC000064755139 568951207 /nfs/dbraw/zinc/95/12/07/568951207.db2.gz VGXOUSVKHFYHLF-UHFFFAOYSA-N 0 0 440.887 2.837 50 0 IFAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)COC ZINC000036121877 568958022 /nfs/dbraw/zinc/95/80/22/568958022.db2.gz BSDLGZAFIWDPSL-IBGZPJMESA-N 0 0 446.569 2.683 50 0 IFAARN Cc1c(CCC(=O)NCc2cccnc2)c(=O)n2nc(-c3ccc(Cl)cc3)nc2n1C ZINC000064792401 568959188 /nfs/dbraw/zinc/95/91/88/568959188.db2.gz SALPODPFSSEQHH-UHFFFAOYSA-N 0 0 436.903 2.701 50 0 IFAARN Cc1ccc(CNC(=O)CSc2nc3cnn(C)c3c(=O)n2Cc2ccccc2)cc1 ZINC000064817039 568964398 /nfs/dbraw/zinc/96/43/98/568964398.db2.gz FACUQWNEJCFDPL-UHFFFAOYSA-N 0 0 433.537 2.895 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccc(C)cc1 ZINC000064817660 568964823 /nfs/dbraw/zinc/96/48/23/568964823.db2.gz VMOHKWXJNKTANC-UHFFFAOYSA-N 0 0 449.486 2.823 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)c(F)c1 ZINC000064817632 568964950 /nfs/dbraw/zinc/96/49/50/568964950.db2.gz SBEFZADCPGCOFK-UHFFFAOYSA-N 0 0 449.486 2.823 50 0 IFAARN CCc1cccc(NC(=O)Cn2nc(N3CCN(c4ccccc4OC)CC3)ccc2=O)c1 ZINC000064818141 568965094 /nfs/dbraw/zinc/96/50/94/568965094.db2.gz HPFKKKKEPVDTSC-UHFFFAOYSA-N 0 0 447.539 2.780 50 0 IFAARN CCCOC(=O)Cn1c2ccc(S(=O)(=O)Nc3ccc(C(C)=O)cc3)cc2oc1=O ZINC000064818823 568965321 /nfs/dbraw/zinc/96/53/21/568965321.db2.gz QVKKOIJFRALURZ-UHFFFAOYSA-N 0 0 432.454 2.551 50 0 IFAARN COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(Cc3ccco3)C3CCCCC3)ccc21 ZINC000064818802 568965368 /nfs/dbraw/zinc/96/53/68/568965368.db2.gz PGYQOSRZKDXIKV-UHFFFAOYSA-N 0 0 448.497 2.884 50 0 IFAARN CCCC(=O)OC[C@@H](O)CN(Cc1ccco1)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036158896 568966985 /nfs/dbraw/zinc/96/69/85/568966985.db2.gz JLWJQYBCCKUSIG-AWEZNQCLSA-N 0 0 445.541 2.773 50 0 IFAARN CCOc1ccc(CNC(=O)c2cc(=O)nc3sc(N4CCCCCC4)nn32)cc1 ZINC000064836663 568969413 /nfs/dbraw/zinc/96/94/13/568969413.db2.gz SUYDVLZFIDMNJU-UHFFFAOYSA-N 0 0 427.530 2.860 50 0 IFAARN CN(CCc1noc(COc2ccccc2)n1)S(=O)(=O)c1cccc2nsnc21 ZINC000064841567 568970470 /nfs/dbraw/zinc/97/04/70/568970470.db2.gz YGPWQDUQDJDLNY-UHFFFAOYSA-N 0 0 431.499 2.517 50 0 IFAARN CCCCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC3CCCCC3)cc2C1=O ZINC000036188706 568970775 /nfs/dbraw/zinc/97/07/75/568970775.db2.gz UODIQZFDPXUHAA-CQSZACIVSA-N 0 0 443.500 2.787 50 0 IFAARN CCOC[C@H](O)CN(CCOC)Cc1nc(=O)c2c(-c3ccc(OC)cc3)csc2[nH]1 ZINC000036206282 568972883 /nfs/dbraw/zinc/97/28/83/568972883.db2.gz VDROCCCDLZFDLC-MRXNPFEDSA-N 0 0 447.557 2.506 50 0 IFAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccco2)CC1 ZINC000036208419 568973415 /nfs/dbraw/zinc/97/34/15/568973415.db2.gz QAGZHHVQEFBSEV-QRWLVFNGSA-N 0 0 429.492 2.984 50 0 IFAARN O=C(N[C@H](C(=O)NC1CC1)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1 ZINC000036209485 568973733 /nfs/dbraw/zinc/97/37/33/568973733.db2.gz LJGPWSLYANVBAD-IBGZPJMESA-N 0 0 429.517 2.817 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)NC(C)C)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000036210273 568974687 /nfs/dbraw/zinc/97/46/87/568974687.db2.gz WCOPEEWYRMSYSC-FQEVSTJZSA-N 0 0 443.569 2.932 50 0 IFAARN COCCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210700 568975226 /nfs/dbraw/zinc/97/52/26/568975226.db2.gz MEKXEYDRJTZUDX-QFIPXVFZSA-N 0 0 431.577 2.531 50 0 IFAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(OC)c(OC)c2)c2ccccc2N1 ZINC000064869185 568975600 /nfs/dbraw/zinc/97/56/00/568975600.db2.gz ZTPMDXGNNDDYSV-UHFFFAOYSA-N 0 0 425.441 2.548 50 0 IFAARN COCCNC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036211863 568975644 /nfs/dbraw/zinc/97/56/44/568975644.db2.gz YHBYWIKEIARPIQ-OAQYLSRUSA-N 0 0 431.577 2.531 50 0 IFAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2cc(OC)ccc2OC)c2ccccc2N1 ZINC000064869247 568975667 /nfs/dbraw/zinc/97/56/67/568975667.db2.gz YTYBDKHBVTVIHW-UHFFFAOYSA-N 0 0 439.468 2.938 50 0 IFAARN CCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000036212290 568975964 /nfs/dbraw/zinc/97/59/64/568975964.db2.gz MTXOWWCJHMNQHP-HXUWFJFHSA-N 0 0 443.569 2.934 50 0 IFAARN CC(C)CC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)NCc2ccco2)CC1 ZINC000036212495 568976305 /nfs/dbraw/zinc/97/63/05/568976305.db2.gz MJGGSWGNWHQMDT-JOCHJYFZSA-N 0 0 425.529 2.979 50 0 IFAARN COc1cccc(C(=O)N2CCC([C@H](NC(=O)c3ccc(C)cc3)C(=O)NC3CC3)CC2)c1 ZINC000036213278 568976891 /nfs/dbraw/zinc/97/68/91/568976891.db2.gz YXENHRBCLFEWCG-QHCPKHFHSA-N 0 0 449.551 2.933 50 0 IFAARN COc1cccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C2CCN(C(=O)C(C)C)CC2)c1 ZINC000036211035 568976894 /nfs/dbraw/zinc/97/68/94/568976894.db2.gz BDFLFICDVALABZ-OAQYLSRUSA-N 0 0 441.528 2.598 50 0 IFAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036211094 568976972 /nfs/dbraw/zinc/97/69/72/568976972.db2.gz WWVHSHBJMZMUFC-HTAPYJJXSA-N 0 0 431.577 2.993 50 0 IFAARN COc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)C3CCCC3)CC2)c1 ZINC000036211255 568977060 /nfs/dbraw/zinc/97/70/60/568977060.db2.gz QJRDFPAKKUCDLU-QFIPXVFZSA-N 0 0 441.572 2.845 50 0 IFAARN CCCNC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036211173 568977160 /nfs/dbraw/zinc/97/71/60/568977160.db2.gz LGDVYTFLLBTLCM-OAQYLSRUSA-N 0 0 431.577 2.995 50 0 IFAARN COc1cccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000036211234 568977162 /nfs/dbraw/zinc/97/71/62/568977162.db2.gz GWHOZZBLBPCCTR-OAQYLSRUSA-N 0 0 439.512 2.561 50 0 IFAARN Cc1ccccc1CN1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)C(=O)C1=O ZINC000064888734 568979499 /nfs/dbraw/zinc/97/94/99/568979499.db2.gz FISCGZBMXRAVSK-UHFFFAOYSA-N 0 0 433.552 2.647 50 0 IFAARN COc1ccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000064889231 568979891 /nfs/dbraw/zinc/97/98/91/568979891.db2.gz AMSQHKSQROCMSB-UHFFFAOYSA-N 0 0 443.529 2.643 50 0 IFAARN Cc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCn4c5ccccc5nc43)n2)c1 ZINC000064891733 568982765 /nfs/dbraw/zinc/98/27/65/568982765.db2.gz IBHFRNKSSDTRKP-UHFFFAOYSA-N 0 0 442.479 2.591 50 0 IFAARN COc1ccc(NC(=O)CCn2nc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2=O)cc1 ZINC000064892034 568982888 /nfs/dbraw/zinc/98/28/88/568982888.db2.gz PVIHLIRUDRUNSI-INIZCTEOSA-N 0 0 432.480 2.872 50 0 IFAARN Cc1cccc(CNC(=O)CCn2nc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2=O)c1 ZINC000064892290 568983049 /nfs/dbraw/zinc/98/30/49/568983049.db2.gz LICKJAWKOKGNPH-SFHVURJKSA-N 0 0 430.508 2.850 50 0 IFAARN COc1ccccc1NC(=O)CCn1nc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O ZINC000064892279 568983063 /nfs/dbraw/zinc/98/30/63/568983063.db2.gz QNWUJARWTDBKDG-INIZCTEOSA-N 0 0 432.480 2.872 50 0 IFAARN COc1ccccc1C(=O)N1CCN([C@@H](C(=O)NCc2ccco2)C2CCCC2)CC1 ZINC000036251767 568984076 /nfs/dbraw/zinc/98/40/76/568984076.db2.gz ALQHGHGZWDJUKW-JOCHJYFZSA-N 0 0 425.529 2.921 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)s1)N1CCCC1 ZINC000064919603 568985231 /nfs/dbraw/zinc/98/52/31/568985231.db2.gz VEZLOOKJHARMPG-UHFFFAOYSA-N 0 0 425.620 2.552 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000064921258 568985679 /nfs/dbraw/zinc/98/56/79/568985679.db2.gz DUKLTWNRMGOHJZ-INIZCTEOSA-N 0 0 449.916 2.771 50 0 IFAARN Cc1c(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc(C(=O)N2CCCCC2)n1C ZINC000064922228 568985960 /nfs/dbraw/zinc/98/59/60/568985960.db2.gz YUZVTYZAUSLQDS-UHFFFAOYSA-N 0 0 436.622 2.599 50 0 IFAARN Cc1c(S(=O)(=O)N2CCCC2)cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)n1C ZINC000064922472 568986064 /nfs/dbraw/zinc/98/60/64/568986064.db2.gz WVQQIPYLELIVQZ-UHFFFAOYSA-N 0 0 444.601 2.697 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(C)n1C ZINC000064923008 568986273 /nfs/dbraw/zinc/98/62/73/568986273.db2.gz FSVXEUOIRIAKRU-UHFFFAOYSA-N 0 0 425.938 2.593 50 0 IFAARN COc1cccc(CNC(=O)C2CCN(c3ccc(=O)n(-c4cccc(F)c4)n3)CC2)c1 ZINC000064927632 568986733 /nfs/dbraw/zinc/98/67/33/568986733.db2.gz OVRBRPLGKSPLAR-UHFFFAOYSA-N 0 0 436.487 2.913 50 0 IFAARN Cc1ccc(C)c(CNC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccccc3)c2=O)c1 ZINC000169681082 568991504 /nfs/dbraw/zinc/99/15/04/568991504.db2.gz UQPWZOJRTNRUFG-UHFFFAOYSA-N 0 0 439.537 2.891 50 0 IFAARN COc1ccc(NC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccc(C)cc3)c2=O)cc1 ZINC000169681084 568991537 /nfs/dbraw/zinc/99/15/37/568991537.db2.gz INNAIJUPYUWZLT-UHFFFAOYSA-N 0 0 441.509 2.913 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(Cl)cc2)ccc1=O ZINC000064943141 568992353 /nfs/dbraw/zinc/99/23/53/568992353.db2.gz PQNXCMVKQUFPEY-UHFFFAOYSA-N 0 0 447.900 2.685 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Cl)cc3)ccc2=O)cc1C ZINC000064943157 568992463 /nfs/dbraw/zinc/99/24/63/568992463.db2.gz AFCDNVPMPQHOHH-UHFFFAOYSA-N 0 0 431.901 2.985 50 0 IFAARN COc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CC3)n2)c1 ZINC000064946905 568993881 /nfs/dbraw/zinc/99/38/81/568993881.db2.gz UPBUJUMHSQKJAG-UHFFFAOYSA-N 0 0 442.453 2.713 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)Nc4ccc(CC)cc4)cc3oc2=O)no1 ZINC000064946879 568993891 /nfs/dbraw/zinc/99/38/91/568993891.db2.gz BBISACLDFYNFEZ-UHFFFAOYSA-N 0 0 428.470 2.951 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)Nc4cccc(CC)c4)cc3oc2=O)no1 ZINC000064946897 568993894 /nfs/dbraw/zinc/99/38/94/568993894.db2.gz HVICSTQTZOXWMU-UHFFFAOYSA-N 0 0 428.470 2.951 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3n3cnnc23)CC1 ZINC000064948940 568994771 /nfs/dbraw/zinc/99/47/71/568994771.db2.gz ZZLIBFXABWPQFH-UHFFFAOYSA-N 0 0 434.525 2.727 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)Nc4ccc(F)cc4C)cc3oc2=O)no1 ZINC000064947143 568995219 /nfs/dbraw/zinc/99/52/19/568995219.db2.gz OXNBQYSFHZNIBB-UHFFFAOYSA-N 0 0 432.433 2.837 50 0 IFAARN Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NC2CCCC2)C3)cc1 ZINC000064954458 568997995 /nfs/dbraw/zinc/99/79/95/568997995.db2.gz FJCIUQAFNYFYBU-VWLOTQADSA-N 0 0 449.555 2.557 50 0 IFAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)N(C)C[C@@H]3COc4ccccc4O3)cc21 ZINC000064952322 568998390 /nfs/dbraw/zinc/99/83/90/568998390.db2.gz CPNOVHJMJUYJPP-MRXNPFEDSA-N 0 0 448.566 2.996 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4ccc(C)cc4s3)C2)c1 ZINC000064957995 568999083 /nfs/dbraw/zinc/99/90/83/568999083.db2.gz PLQRBNXKWDFQOR-CQSZACIVSA-N 0 0 433.559 2.861 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)c1 ZINC000064958222 568999438 /nfs/dbraw/zinc/99/94/38/568999438.db2.gz ROPCRFSROWESKI-HNNXBMFYSA-N 0 0 436.534 2.521 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCCCC4)C3)c(C)cc2NC1=O ZINC000169683975 569000068 /nfs/dbraw/zinc/00/00/68/569000068.db2.gz QNQAGBXYRUUOQI-AEFFLSMTSA-N 0 0 449.573 2.518 50 0 IFAARN Cc1ccc2c(=O)c(C(=O)N3CCCCC3)cn(CC(=O)NCc3ccc(F)cc3)c2n1 ZINC000064963736 569000850 /nfs/dbraw/zinc/00/08/50/569000850.db2.gz YYAGRWJBMQSSOT-UHFFFAOYSA-N 0 0 436.487 2.787 50 0 IFAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000064969554 569076094 /nfs/dbraw/zinc/07/60/94/569076094.db2.gz CGEKRVJTMMSZPM-UHFFFAOYSA-N 0 0 433.921 2.913 50 0 IFAARN COc1cc(CCN2C(=O)CC[C@]2(C)C(=O)NCc2ccccc2)cc(OC)c1OC ZINC000006818836 569076571 /nfs/dbraw/zinc/07/65/71/569076571.db2.gz IJLZAXQXYIEYCL-XMMPIXPASA-N 0 0 426.513 2.952 50 0 IFAARN Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000064976506 569077182 /nfs/dbraw/zinc/07/71/82/569077182.db2.gz ZXOQNNFNSJQPTJ-UHFFFAOYSA-N 0 0 440.447 2.694 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)cc1 ZINC000064977649 569077482 /nfs/dbraw/zinc/07/74/82/569077482.db2.gz OKQZLRFXMKOLPM-UHFFFAOYSA-N 0 0 432.488 2.765 50 0 IFAARN O=C(CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCCC3)ccc21)N1CCCC1 ZINC000064977735 569077547 /nfs/dbraw/zinc/07/75/47/569077547.db2.gz HUFYINNYESFRMU-UHFFFAOYSA-N 0 0 433.574 2.589 50 0 IFAARN CCc1nc(C)nc(N2CCN(C[C@H](O)COC(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000036340774 569078508 /nfs/dbraw/zinc/07/85/08/569078508.db2.gz QUTSCRFAYGHGKR-NRFANRHFSA-N 0 0 430.568 2.985 50 0 IFAARN Cc1nc(C)c(Cc2cccc(F)c2)c(N2CCN(C[C@H](O)COCC(C)C)CC2)n1 ZINC000036340172 569078759 /nfs/dbraw/zinc/07/87/59/569078759.db2.gz LVFPNXBYCSTZJV-QFIPXVFZSA-N 0 0 430.568 2.979 50 0 IFAARN COc1cccc(C2=NN(C(=O)CN3CCN(C(C)=O)CC3)[C@H](c3ccccc3F)C2)c1 ZINC000036341525 569079353 /nfs/dbraw/zinc/07/93/53/569079353.db2.gz ITCZEXOZRSYISA-QHCPKHFHSA-N 0 0 438.503 2.676 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCN(C(C)=O)CC3)[C@H](c3ccccc3F)C2)cc1 ZINC000036341499 569079404 /nfs/dbraw/zinc/07/94/04/569079404.db2.gz AWNHYQBCURLPLX-QHCPKHFHSA-N 0 0 438.503 2.676 50 0 IFAARN CCOc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC(C(N)=O)CC2)cc1 ZINC000036342566 569079461 /nfs/dbraw/zinc/07/94/61/569079461.db2.gz REGGROSAIOUFRH-QHCPKHFHSA-N 0 0 434.540 2.960 50 0 IFAARN Cn1cccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCC2(CC1)OCCO2 ZINC000036342436 569079520 /nfs/dbraw/zinc/07/95/20/569079520.db2.gz QBOCLAYPHNWRRV-NRFANRHFSA-N 0 0 426.492 2.681 50 0 IFAARN COc1ccccc1C1=NN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H](c2ccc(C)cc2)C1 ZINC000036343654 569079818 /nfs/dbraw/zinc/07/98/18/569079818.db2.gz GXXLHXVQJGUIKH-HSZRJFAPSA-N 0 0 434.540 2.845 50 0 IFAARN COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)CN2CCN(C)CC2)c(OC)c1 ZINC000036344502 569080295 /nfs/dbraw/zinc/08/02/95/569080295.db2.gz CDZFADUHKUDLDP-QFIPXVFZSA-N 0 0 440.519 2.768 50 0 IFAARN COc1cccc(C(=O)N2CCC([C@@H](NC(=O)CC(C)C)C(=O)NCC(C)C)CC2)c1 ZINC000036347151 569081527 /nfs/dbraw/zinc/08/15/27/569081527.db2.gz AGMFAETUVLZYND-JOCHJYFZSA-N 0 0 431.577 2.851 50 0 IFAARN COc1ccc(OC)c(CNC(=O)c2ccc(-c3cc(N4CCOCC4)ncn3)cc2)c1 ZINC000064989462 569083029 /nfs/dbraw/zinc/08/30/29/569083029.db2.gz KBOZGHPUNFRMKG-UHFFFAOYSA-N 0 0 434.496 2.927 50 0 IFAARN COc1ccc(CNC(=O)c2nc(COc3ccccc3NC(C)=O)no2)cc1OC ZINC000036352660 569083795 /nfs/dbraw/zinc/08/37/95/569083795.db2.gz IVGVMWRXQKOHQW-UHFFFAOYSA-N 0 0 426.429 2.554 50 0 IFAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[N@@H+]3CCCN(c4ncccn4)CC3)c2c1 ZINC000036354528 569084184 /nfs/dbraw/zinc/08/41/84/569084184.db2.gz ZJOJZNGZDMMGGD-HXUWFJFHSA-N 0 0 436.516 2.890 50 0 IFAARN COc1ccc(NC(=O)c2nnc(CNS(=O)(=O)c3ccc(C)c(C)c3)s2)cc1 ZINC000064991636 569084672 /nfs/dbraw/zinc/08/46/72/569084672.db2.gz XUFQCMPDNRHNRT-UHFFFAOYSA-N 0 0 432.527 2.894 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2c(c1)nc(CN1CCOCC1)n2C ZINC000036358266 569084946 /nfs/dbraw/zinc/08/49/46/569084946.db2.gz WQTINOYMHOCCMU-JOCHJYFZSA-N 0 0 438.484 2.704 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CCCCCn2cnc3ccccc3c2=O)cc1 ZINC000036358316 569084956 /nfs/dbraw/zinc/08/49/56/569084956.db2.gz FHTJNJMGLIKKAS-UHFFFAOYSA-N 0 0 442.541 2.846 50 0 IFAARN CCOc1ccccc1-c1noc(CN2C(=O)COc3ccc(S(=O)(=O)CC)cc32)n1 ZINC000064999125 569085641 /nfs/dbraw/zinc/08/56/41/569085641.db2.gz PSTAEBZPLWOOBZ-UHFFFAOYSA-N 0 0 443.481 2.855 50 0 IFAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1cccc(OCc3ccccn3)c1)CC(=O)N2 ZINC000036360499 569086389 /nfs/dbraw/zinc/08/63/89/569086389.db2.gz LVXQLINETNPKMC-SFHVURJKSA-N 0 0 428.452 2.712 50 0 IFAARN CCOC(=O)N1CCN(S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000036360942 569086699 /nfs/dbraw/zinc/08/66/99/569086699.db2.gz BNPAIGMDDHFVNF-UHFFFAOYSA-N 0 0 426.926 2.605 50 0 IFAARN COC(=O)COc1coc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1=O ZINC000036365530 569086800 /nfs/dbraw/zinc/08/68/00/569086800.db2.gz FJPIUDNZEFVECN-UHFFFAOYSA-N 0 0 427.284 2.821 50 0 IFAARN O=S(=O)(c1ccc(-c2cnc(C3CCC3)o2)s1)N1CCN(c2ncccn2)CC1 ZINC000065004482 569086999 /nfs/dbraw/zinc/08/69/99/569086999.db2.gz CLLMKSQTEWCQSX-UHFFFAOYSA-N 0 0 431.543 2.972 50 0 IFAARN C[NH+](C)CCC[NH2+][C@@H](C(=O)[O-])c1cn(CCC(=O)[O-])c2cc(Br)ccc12 ZINC000036365895 569087025 /nfs/dbraw/zinc/08/70/25/569087025.db2.gz XUOAFSDUVZCOKS-QGZVFWFLSA-N 0 0 426.311 2.546 50 0 IFAARN CC(C)CC(=O)Nc1ccc2c(c1)nc(C1C(=O)C(C(=O)N3CCOCC3)=CN1C)n2C ZINC000036369850 569088361 /nfs/dbraw/zinc/08/83/61/569088361.db2.gz XGOQGKQUIAILTR-UHFFFAOYSA-N 0 0 439.516 2.741 50 0 IFAARN CNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)COc4ccccc4)ccc3n2C)c1OC ZINC000036369874 569088440 /nfs/dbraw/zinc/08/84/40/569088440.db2.gz UAZYDKNVVJSUFS-UHFFFAOYSA-N 0 0 447.495 2.965 50 0 IFAARN COCCN1CCn2c(nc3cc(N[C@H]4OC(=O)c5c4ccc(OC)c5OC)ccc32)C1 ZINC000036370001 569088585 /nfs/dbraw/zinc/08/85/85/569088585.db2.gz IOXLDYNITFYDHD-QFIPXVFZSA-N 0 0 438.484 2.797 50 0 IFAARN CCCN(CCC)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1 ZINC000065022014 569089067 /nfs/dbraw/zinc/08/90/67/569089067.db2.gz ZWYGLXKBHNOUSL-UHFFFAOYSA-N 0 0 439.603 2.649 50 0 IFAARN COc1cccc(C(=O)N2CCCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)c1 ZINC000065024428 569089650 /nfs/dbraw/zinc/08/96/50/569089650.db2.gz APDGKXWTRHDKAU-UHFFFAOYSA-N 0 0 428.533 2.533 50 0 IFAARN COc1ccccc1N1CCN(c2ccc(SCC(=O)NCc3ccco3)nn2)CC1 ZINC000065026088 569090854 /nfs/dbraw/zinc/09/08/54/569090854.db2.gz ZXCKDYWNCKAYIO-UHFFFAOYSA-N 0 0 439.541 2.813 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc4c3=O)CC2)cc1OC ZINC000065034643 569092250 /nfs/dbraw/zinc/09/22/50/569092250.db2.gz NKQWBIDKPJEINZ-UHFFFAOYSA-N 0 0 447.488 2.579 50 0 IFAARN COc1ccc(CNC(=O)CN2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)cc1OC ZINC000065034950 569092447 /nfs/dbraw/zinc/09/24/47/569092447.db2.gz VZZATXBQKUJLHT-UHFFFAOYSA-N 0 0 435.524 2.837 50 0 IFAARN CC(C)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000036384645 569092925 /nfs/dbraw/zinc/09/29/25/569092925.db2.gz WBQPUHTWVCIUSA-GFCCVEGCSA-N 0 0 441.903 2.578 50 0 IFAARN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000036382468 569092600 /nfs/dbraw/zinc/09/26/00/569092600.db2.gz MXDLDUWRLWADJC-PKTZIBPZSA-N 0 0 437.540 2.580 50 0 IFAARN C[C@H]1Oc2c(cccc2C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)[C@@H]1C ZINC000036387061 569093112 /nfs/dbraw/zinc/09/31/12/569093112.db2.gz UUILXVLLKFPRLU-HZPDHXFCSA-N 0 0 429.542 2.759 50 0 IFAARN C[C@@H]1c2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c2O[C@H]1C ZINC000036387062 569093122 /nfs/dbraw/zinc/09/31/22/569093122.db2.gz UUILXVLLKFPRLU-HOTGVXAUSA-N 0 0 429.542 2.759 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 ZINC000036386812 569093378 /nfs/dbraw/zinc/09/33/78/569093378.db2.gz UHNSHLWBURNSGS-UHFFFAOYSA-N 0 0 443.569 2.832 50 0 IFAARN COc1ccc(CN2C=C(C(=O)OCc3ccc(OC)c(F)c3)C(C)=NS2(=O)=O)cc1 ZINC000169755182 569093444 /nfs/dbraw/zinc/09/34/44/569093444.db2.gz PNNNJQXNKVSQER-UHFFFAOYSA-N 0 0 448.472 2.992 50 0 IFAARN CCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(OC)cc2)C3)CC1 ZINC000169758874 569093971 /nfs/dbraw/zinc/09/39/71/569093971.db2.gz UMRFDTRRUBVPRB-NRFANRHFSA-N 0 0 440.544 2.932 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CN1C2=C(C(=O)OC2)[C@@H](c2ccc(C)cc2)NC1=O ZINC000169757937 569094103 /nfs/dbraw/zinc/09/41/03/569094103.db2.gz MFQWPSJJCDVVLN-OAQYLSRUSA-N 0 0 449.463 2.688 50 0 IFAARN COc1ccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccc(Cl)cc3)NC2=O)cc1 ZINC000169757886 569094141 /nfs/dbraw/zinc/09/41/41/569094141.db2.gz WRBRNMFTEMBIDD-FQEVSTJZSA-N 0 0 441.871 2.542 50 0 IFAARN O=C(CN1C2=C(C(=O)OC2)[C@@H](c2ccccc2Cl)NC1=O)NCCCc1ccccc1 ZINC000169758049 569094291 /nfs/dbraw/zinc/09/42/91/569094291.db2.gz OGSKVXBPAZCFFV-OAQYLSRUSA-N 0 0 439.899 2.966 50 0 IFAARN O=C(NC1CC1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 ZINC000169758634 569094404 /nfs/dbraw/zinc/09/44/04/569094404.db2.gz MCFWFATXFNPZMS-IBGZPJMESA-N 0 0 428.920 2.939 50 0 IFAARN O=C(NCc1ccncc1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000169758736 569094436 /nfs/dbraw/zinc/09/44/36/569094436.db2.gz GSYRBEHKTCFQDT-QFIPXVFZSA-N 0 0 445.523 2.718 50 0 IFAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@@H](c2ccc4c(c2)OCO4)OC3)c(OC)c1 ZINC000169759866 569094664 /nfs/dbraw/zinc/09/46/64/569094664.db2.gz ZCIPYXOMJQDILG-QFIPXVFZSA-N 0 0 437.452 2.831 50 0 IFAARN COCC(=O)NC[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1cccc(C)c1 ZINC000006874875 569094940 /nfs/dbraw/zinc/09/49/40/569094940.db2.gz NNTQDDVTZJQEOX-LJQANCHMSA-N 0 0 427.501 2.906 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)c3cnc(-c4ccc(Cl)cc4)nc3n(C)c2=O)cc1 ZINC000065057113 569095064 /nfs/dbraw/zinc/09/50/64/569095064.db2.gz OAAKLXXPKZVQMY-UHFFFAOYSA-N 0 0 435.871 2.758 50 0 IFAARN CCc1ccc(CNC(=O)Cn2c(=O)c3cnc(-c4ccccc4)nc3n(CC)c2=O)cc1 ZINC000065057296 569095170 /nfs/dbraw/zinc/09/51/70/569095170.db2.gz FEZGJJRORTYTCW-UHFFFAOYSA-N 0 0 443.507 2.519 50 0 IFAARN Cc1ccc(Cl)cc1N(C)C(=O)Cn1c(=O)c2cnc(-c3ccccc3)nc2n(C)c1=O ZINC000065057398 569095694 /nfs/dbraw/zinc/09/56/94/569095694.db2.gz ZRMNUTAXHMJZIS-UHFFFAOYSA-N 0 0 449.898 2.782 50 0 IFAARN COc1ccc(CCNC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)cc1OC ZINC000169768853 569098204 /nfs/dbraw/zinc/09/82/04/569098204.db2.gz UJSYEXYRMNCAII-UHFFFAOYSA-N 0 0 441.557 2.581 50 0 IFAARN CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CCN1c2ccccc2SCC1=O ZINC000036392445 569098251 /nfs/dbraw/zinc/09/82/51/569098251.db2.gz DAMPGPNGRLFDFM-UHFFFAOYSA-N 0 0 430.551 2.898 50 0 IFAARN COc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)cc1OC ZINC000169770477 569098326 /nfs/dbraw/zinc/09/83/26/569098326.db2.gz SRXAPOVGIMIUDV-UHFFFAOYSA-N 0 0 440.475 2.796 50 0 IFAARN Cc1ccc2nc(CSCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)cc(=O)n2c1 ZINC000036395169 569098742 /nfs/dbraw/zinc/09/87/42/569098742.db2.gz BEVJGKQDNHXFHW-OAHLLOKOSA-N 0 0 425.510 2.885 50 0 IFAARN O=C(CCn1nnc2cc(-c3noc(-c4ccc5c(c4)OCO5)n3)ccc21)N1CCCC1 ZINC000065075949 569099207 /nfs/dbraw/zinc/09/92/07/569099207.db2.gz HQBCAPOHQBPHJD-UHFFFAOYSA-N 0 0 432.440 2.890 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1cccc(Br)c1 ZINC000065075548 569099646 /nfs/dbraw/zinc/09/96/46/569099646.db2.gz KKRCKSASHZWKQN-UHFFFAOYSA-N 0 0 431.294 2.717 50 0 IFAARN Cc1ccc(-c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCOCC3)no2)cc1F ZINC000065076098 569100007 /nfs/dbraw/zinc/10/00/07/569100007.db2.gz ATAZRDXCYMGJOP-UHFFFAOYSA-N 0 0 436.447 2.845 50 0 IFAARN CCOc1ccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2=O)cc1 ZINC000065076406 569100134 /nfs/dbraw/zinc/10/01/34/569100134.db2.gz IDEHIQNRIRHQSP-INIZCTEOSA-N 0 0 432.480 2.872 50 0 IFAARN COc1ccc(CNC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077329 569100204 /nfs/dbraw/zinc/10/02/04/569100204.db2.gz OYZDICSCLHTEOI-CQSZACIVSA-N 0 0 448.566 2.998 50 0 IFAARN COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000065077144 569100392 /nfs/dbraw/zinc/10/03/92/569100392.db2.gz KWMZJXDODLRTIQ-UHFFFAOYSA-N 0 0 434.539 2.610 50 0 IFAARN COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c1 ZINC000065078320 569100493 /nfs/dbraw/zinc/10/04/93/569100493.db2.gz VRWRAQDTXCKSOJ-CQSZACIVSA-N 0 0 448.566 2.856 50 0 IFAARN CN(CC(=O)Nc1cccc(OCCn2cccn2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036397711 569100897 /nfs/dbraw/zinc/10/08/97/569100897.db2.gz OUBSLOMUIUERIV-UHFFFAOYSA-N 0 0 448.932 2.875 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000036397950 569101011 /nfs/dbraw/zinc/10/10/11/569101011.db2.gz STDRRONKXVDPJR-UXHICEINSA-N 0 0 441.528 2.843 50 0 IFAARN O=C(NCc1cccc(Cl)c1)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 ZINC000169773442 569101740 /nfs/dbraw/zinc/10/17/40/569101740.db2.gz PYWBCYMOUNUSHX-UHFFFAOYSA-N 0 0 427.888 2.871 50 0 IFAARN O=C(NCCCN1CCOCC1)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065081683 569102034 /nfs/dbraw/zinc/10/20/34/569102034.db2.gz ANLPXJVAINWRKM-UHFFFAOYSA-N 0 0 441.601 2.683 50 0 IFAARN O=C(NCc1ccccn1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000169774480 569102099 /nfs/dbraw/zinc/10/20/99/569102099.db2.gz DXUWLRVVMKBNJG-JOCHJYFZSA-N 0 0 445.523 2.718 50 0 IFAARN COc1cccc(CCC(=O)NCCn2ccn3nc(-c4cccc(OC)c4)cc3c2=O)c1 ZINC000169777078 569102271 /nfs/dbraw/zinc/10/22/71/569102271.db2.gz SEFJTUUUQRYADH-UHFFFAOYSA-N 0 0 446.507 2.929 50 0 IFAARN O=C(COc1ccc(F)cc1)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778028 569102514 /nfs/dbraw/zinc/10/25/14/569102514.db2.gz RTESRQUJAQACGT-QGZVFWFLSA-N 0 0 434.431 2.987 50 0 IFAARN O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778056 569102607 /nfs/dbraw/zinc/10/26/07/569102607.db2.gz XCSLPTKUVODHFG-MRXNPFEDSA-N 0 0 430.424 2.811 50 0 IFAARN O=C(c1nc(-c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)no1)N1CCCC1 ZINC000065097399 569103851 /nfs/dbraw/zinc/10/38/51/569103851.db2.gz OBRAXIMTUUKXKI-UHFFFAOYSA-N 0 0 444.538 2.781 50 0 IFAARN CCc1nnc(-c2csc(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2)o1 ZINC000065098632 569104235 /nfs/dbraw/zinc/10/42/35/569104235.db2.gz QLTVVFBCDYMTGF-UHFFFAOYSA-N 0 0 434.543 2.880 50 0 IFAARN COc1ccccc1CNS(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1 ZINC000065098831 569104330 /nfs/dbraw/zinc/10/43/30/569104330.db2.gz ZELNOIVWWPOSBB-UHFFFAOYSA-N 0 0 448.526 2.521 50 0 IFAARN COc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccc(F)cc4)c(=O)n3c2)cc1 ZINC000065100147 569104868 /nfs/dbraw/zinc/10/48/68/569104868.db2.gz FSFDDRSZLACMHJ-UHFFFAOYSA-N 0 0 435.415 2.535 50 0 IFAARN COc1cccc(CNC(=O)CSc2nnc(-c3nc(-c4ccccc4)no3)n2C)c1 ZINC000065100108 569104980 /nfs/dbraw/zinc/10/49/80/569104980.db2.gz MEXZKTCCMKDRGQ-UHFFFAOYSA-N 0 0 436.497 2.949 50 0 IFAARN CCNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O ZINC000065101443 569105381 /nfs/dbraw/zinc/10/53/81/569105381.db2.gz NSMUUQLVXIDKEV-UHFFFAOYSA-N 0 0 430.867 2.896 50 0 IFAARN C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000036415424 569105389 /nfs/dbraw/zinc/10/53/89/569105389.db2.gz YBMQRHVEEHPWMK-UONOGXRCSA-N 0 0 430.455 2.988 50 0 IFAARN COC(=O)c1ccc(NS(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)cc1 ZINC000065115210 569106744 /nfs/dbraw/zinc/10/67/44/569106744.db2.gz GHANCQFFYJURLX-UHFFFAOYSA-N 0 0 429.454 2.651 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCOCC3)c2)sc1C(=O)N1CCCCC1 ZINC000065117158 569107469 /nfs/dbraw/zinc/10/74/69/569107469.db2.gz ZSWYWWGATLCJBV-UHFFFAOYSA-N 0 0 441.600 2.827 50 0 IFAARN COc1cc(NC(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NS(=O)(=O)c2ccccc2)cc(OC)c1 ZINC000169792781 569107631 /nfs/dbraw/zinc/10/76/31/569107631.db2.gz AVOQAEBNHNHGOQ-UVFQYZLESA-N 0 0 431.514 2.677 50 0 IFAARN COc1ccc(CNC(=O)c2nc(CCS(=O)(=O)c3ccc(Cl)cc3)no2)cc1 ZINC000065117415 569107655 /nfs/dbraw/zinc/10/76/55/569107655.db2.gz XQXDKSVBGAXYMT-UHFFFAOYSA-N 0 0 435.889 2.678 50 0 IFAARN COc1ccccc1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000065117451 569107668 /nfs/dbraw/zinc/10/76/68/569107668.db2.gz MFIMFZJITAATSP-UHFFFAOYSA-N 0 0 435.889 2.678 50 0 IFAARN COc1cccc(CC(=O)N2CCN(c3nc4ccccc4n(CC(C)C)c3=O)CC2)c1 ZINC000065113247 569108355 /nfs/dbraw/zinc/10/83/55/569108355.db2.gz OYHLNHPEEDFWFI-UHFFFAOYSA-N 0 0 434.540 2.952 50 0 IFAARN CCCn1c2ccccc2nc(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c1=O ZINC000065113130 569108365 /nfs/dbraw/zinc/10/83/65/569108365.db2.gz NEJHNTOQYVECIU-UHFFFAOYSA-N 0 0 436.512 2.786 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(c3ncccc3-c3nnc(C)o3)CC2)cc1 ZINC000065117855 569108805 /nfs/dbraw/zinc/10/88/05/569108805.db2.gz WRLMJTYRDJVOSJ-UHFFFAOYSA-N 0 0 427.530 2.903 50 0 IFAARN COc1ccc(NC(=O)CSc2ccc(N3CCC[C@@H](C(=O)NC4CC4)C3)nn2)cc1 ZINC000065131550 569109555 /nfs/dbraw/zinc/10/95/55/569109555.db2.gz DYNUCRNKNVPQNM-OAHLLOKOSA-N 0 0 441.557 2.711 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1)Nc1ccc(F)cc1 ZINC000065131553 569109557 /nfs/dbraw/zinc/10/95/57/569109557.db2.gz WPBWRSJNZPSCIF-AWEZNQCLSA-N 0 0 429.521 2.842 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1)Nc1c(F)cccc1F ZINC000065131843 569109671 /nfs/dbraw/zinc/10/96/71/569109671.db2.gz SWERHDKZBPCSBN-ZDUSSCGKSA-N 0 0 447.511 2.981 50 0 IFAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3cccc(OC)c3)nn2)C1 ZINC000065131954 569109742 /nfs/dbraw/zinc/10/97/42/569109742.db2.gz XHYBSBNGWZFPOQ-INIZCTEOSA-N 0 0 443.573 2.959 50 0 IFAARN O=C(Cn1ncc2c(c1=O)N(CC1CC1)C(=O)CS2)Nc1cccc(C(F)(F)F)c1 ZINC000065132769 569109873 /nfs/dbraw/zinc/10/98/73/569109873.db2.gz XVEJFGJOOFITJH-UHFFFAOYSA-N 0 0 438.431 2.750 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(N3CCOCC3)c3ccccc3c2=O)cc1Cl ZINC000065134255 569110171 /nfs/dbraw/zinc/11/01/71/569110171.db2.gz QWISJODKUBSCOW-UHFFFAOYSA-N 0 0 428.876 2.534 50 0 IFAARN COc1ccc(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(OC)c1 ZINC000036448931 569110844 /nfs/dbraw/zinc/11/08/44/569110844.db2.gz BZWCOEQXLXJBDW-UHFFFAOYSA-N 0 0 425.529 2.646 50 0 IFAARN O=C(Cn1nc2c(N3CCCCCC3)nccn2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000065151551 569111288 /nfs/dbraw/zinc/11/12/88/569111288.db2.gz WRWHHLUOEFLRQU-UHFFFAOYSA-N 0 0 434.422 2.929 50 0 IFAARN COc1cc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)cc(OC)c1 ZINC000065150781 569111419 /nfs/dbraw/zinc/11/14/19/569111419.db2.gz YVYBNOWNONQKOR-UHFFFAOYSA-N 0 0 435.440 2.648 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)cc1 ZINC000065150828 569111475 /nfs/dbraw/zinc/11/14/75/569111475.db2.gz FVLNQHNZADLYFK-UHFFFAOYSA-N 0 0 447.451 2.725 50 0 IFAARN COc1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCCCCC2)cc1Cl ZINC000065152580 569111920 /nfs/dbraw/zinc/11/19/20/569111920.db2.gz RGEPMLZFEGJPFT-UHFFFAOYSA-N 0 0 426.926 2.899 50 0 IFAARN CCOc1cccc(CNC(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2N)c1 ZINC000065154753 569112387 /nfs/dbraw/zinc/11/23/87/569112387.db2.gz GFDRGVFFKJWMMF-UHFFFAOYSA-N 0 0 432.528 2.714 50 0 IFAARN Cn1cc(CCN2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)c2cccnc21 ZINC000065164777 569112838 /nfs/dbraw/zinc/11/28/38/569112838.db2.gz KFWSJSNEHYIEBZ-UHFFFAOYSA-N 0 0 434.512 2.542 50 0 IFAARN CCOC(=O)[C@H](CC)N1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc21 ZINC000065183347 569113797 /nfs/dbraw/zinc/11/37/97/569113797.db2.gz NSJXMCHIAGPAIH-INIZCTEOSA-N 0 0 435.546 2.647 50 0 IFAARN CCCCN1CCN(C(=O)C2=NN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)CC1 ZINC000065183439 569113850 /nfs/dbraw/zinc/11/38/50/569113850.db2.gz IVTHHWFNRFHGAE-UHFFFAOYSA-N 0 0 441.557 2.573 50 0 IFAARN O=C(NCc1cccnc1)C1=NN(c2ccc(Cl)cc2)c2ncccc2S1(=O)=O ZINC000065183484 569113957 /nfs/dbraw/zinc/11/39/57/569113957.db2.gz JEFPPGRXLYBZTD-UHFFFAOYSA-N 0 0 427.873 2.685 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2c3csnc3c(=O)n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000065184893 569114030 /nfs/dbraw/zinc/11/40/30/569114030.db2.gz KCIMJMLANGFHQR-UHFFFAOYSA-N 0 0 448.504 2.818 50 0 IFAARN Cc1ccc(C)c(Cn2nc3ccc(S(=O)(=O)N4CCc5ccccc5C4)cn3c2=O)c1 ZINC000065198733 569114963 /nfs/dbraw/zinc/11/49/63/569114963.db2.gz GQRUDNZMBKPMTO-UHFFFAOYSA-N 0 0 448.548 2.908 50 0 IFAARN CCOc1cc(=O)c(C(=O)Nc2ccc3c(c2)OCCO3)nn1-c1ccc(F)c(F)c1 ZINC000065198170 569114965 /nfs/dbraw/zinc/11/49/65/569114965.db2.gz YSYUWSQYTCOOGS-UHFFFAOYSA-N 0 0 429.379 2.933 50 0 IFAARN COc1cccc(CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc3nncn3c2)c1 ZINC000065199039 569115062 /nfs/dbraw/zinc/11/50/62/569115062.db2.gz QOSBFDSAJOFONL-UHFFFAOYSA-N 0 0 438.465 2.862 50 0 IFAARN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)Nc4ccc(NC(C)=O)cc4)CC3=O)ccc21 ZINC000065195415 569115448 /nfs/dbraw/zinc/11/54/48/569115448.db2.gz ZWYRXXXKIAEJSB-KRWDZBQOSA-N 0 0 434.496 2.936 50 0 IFAARN O=C(NCc1ccc(F)cc1F)[C@@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195532 569115474 /nfs/dbraw/zinc/11/54/74/569115474.db2.gz GLEZUVDUSDLGGF-QGZVFWFLSA-N 0 0 439.462 2.933 50 0 IFAARN COc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5oc(C)nc5c4)C3)CC2)c1 ZINC000065195674 569115527 /nfs/dbraw/zinc/11/55/27/569115527.db2.gz DVSQIBNWOXSQEX-QGZVFWFLSA-N 0 0 434.496 2.847 50 0 IFAARN CCC(=O)N1CCc2sc(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C1 ZINC000065196161 569115573 /nfs/dbraw/zinc/11/55/73/569115573.db2.gz BWMJNCIYMBFTFV-UHFFFAOYSA-N 0 0 449.598 2.562 50 0 IFAARN CCC(=O)N1CCc2sc(S(=O)(=O)N3CCN(c4ccccc4C)CC3)cc2C1 ZINC000065196192 569115606 /nfs/dbraw/zinc/11/56/06/569115606.db2.gz QTQCCVNMVCWUJG-UHFFFAOYSA-N 0 0 433.599 2.862 50 0 IFAARN Cc1ccc(N2CCN(C(=O)c3cn(-c4ccc(NC(=O)C5CC5)cn4)cn3)CC2)cc1 ZINC000065197064 569115896 /nfs/dbraw/zinc/11/58/96/569115896.db2.gz FJLXJWPXCFDIID-UHFFFAOYSA-N 0 0 430.512 2.887 50 0 IFAARN O=C(Nc1ccc(-n2cnc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)nc1)C1CC1 ZINC000065197053 569115909 /nfs/dbraw/zinc/11/59/09/569115909.db2.gz QUNRCHREGVAUFR-UHFFFAOYSA-N 0 0 430.512 2.574 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)N[C@H](C)c4ccccc4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197172 569116003 /nfs/dbraw/zinc/11/60/03/569116003.db2.gz DUJCLFFPSLSWDT-OAHLLOKOSA-N 0 0 430.464 2.584 50 0 IFAARN CCCN1c2cc(C(=O)NCc3cccc(OC)c3OC)ccc2N2C(=O)CC[C@H]2C1=O ZINC000065202194 569116025 /nfs/dbraw/zinc/11/60/25/569116025.db2.gz CIPTWYQVFCNJLG-SFHVURJKSA-N 0 0 437.496 2.886 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1 ZINC000065210102 569116573 /nfs/dbraw/zinc/11/65/73/569116573.db2.gz DPVNJEXXZUIBLC-UHFFFAOYSA-N 0 0 426.492 2.872 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1 ZINC000065212548 569116803 /nfs/dbraw/zinc/11/68/03/569116803.db2.gz MNPBSRNEQJJHDL-UHFFFAOYSA-N 0 0 443.500 2.721 50 0 IFAARN CCN(C(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O)c1cccc(C)c1 ZINC000065213845 569116945 /nfs/dbraw/zinc/11/69/45/569116945.db2.gz QEZNQAZZBBVXRI-UHFFFAOYSA-N 0 0 431.558 2.630 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC(c3cc4n(n3)CCCN(C)C4=O)CC2)cc1C ZINC000065225910 569117869 /nfs/dbraw/zinc/11/78/69/569117869.db2.gz OZKFCLGNHGZXCU-UHFFFAOYSA-N 0 0 430.574 2.852 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(c2cncnc2N2CCCC2)CC1 ZINC000065226396 569117916 /nfs/dbraw/zinc/11/79/16/569117916.db2.gz ZPUNHGKGQIDXGR-UHFFFAOYSA-N 0 0 436.560 2.769 50 0 IFAARN CC(C)c1ccc(CNC(=O)C2CCN(c3cncnc3N3CCN(C)CC3)CC2)cc1 ZINC000065226936 569117969 /nfs/dbraw/zinc/11/79/69/569117969.db2.gz BLYGBHDACFODLB-UHFFFAOYSA-N 0 0 436.604 2.885 50 0 IFAARN CCOC(=O)C1CCN(C(=O)C2CCN(c3nnc(-c4ccc(OC)cc4)o3)CC2)CC1 ZINC000065229729 569118287 /nfs/dbraw/zinc/11/82/87/569118287.db2.gz GEJRNADQYFNPFE-UHFFFAOYSA-N 0 0 442.516 2.763 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H](CO)c3ccccc3)cc2)cc1 ZINC000036569597 569118337 /nfs/dbraw/zinc/11/83/37/569118337.db2.gz HIABLRDSDJBSOA-QFIPXVFZSA-N 0 0 440.521 2.637 50 0 IFAARN COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H](CO)CCSC)c(C)c13)CCC(C)(C)O2 ZINC000036569704 569118391 /nfs/dbraw/zinc/11/83/91/569118391.db2.gz IKBVPIYXELGFRC-CQSZACIVSA-N 0 0 449.569 2.986 50 0 IFAARN Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCSCC5)n4)ccn3n2)cc1C ZINC000065235831 569119310 /nfs/dbraw/zinc/11/93/10/569119310.db2.gz UVLCQFAIGJZULZ-UHFFFAOYSA-N 0 0 436.541 2.760 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCC[C@H]5C)n4)ccn3n2)cc1 ZINC000065235970 569119313 /nfs/dbraw/zinc/11/93/13/569119313.db2.gz PTYGDBCJIGHVMJ-MRXNPFEDSA-N 0 0 434.500 2.977 50 0 IFAARN COc1ccc(OC)c(NC(=O)C2CCN(c3cc(N4CCSCC4)ncn3)CC2)c1 ZINC000065237069 569119677 /nfs/dbraw/zinc/11/96/77/569119677.db2.gz MGHSUSKHJHGISS-UHFFFAOYSA-N 0 0 443.573 2.902 50 0 IFAARN C=C1C(N2CCC(NC(=O)[C@@H]3CCCO3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239230 569120212 /nfs/dbraw/zinc/12/02/12/569120212.db2.gz MMDTXWCNUKNQFV-IBGZPJMESA-N 0 0 431.558 2.536 50 0 IFAARN C=C1C(N2CCCN(C(=O)c3ccnn3CC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239461 569120442 /nfs/dbraw/zinc/12/04/42/569120442.db2.gz VHBMVJNTVSCXFO-UHFFFAOYSA-N 0 0 441.557 2.532 50 0 IFAARN C=C1C(N2CCCN(C(=O)Cc3cccnc3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239442 569120470 /nfs/dbraw/zinc/12/04/70/569120470.db2.gz FSPFAAIWXHBGCP-UHFFFAOYSA-N 0 0 438.553 2.640 50 0 IFAARN COc1ccc(NC(=O)Cn2c3cccnc3n3nc(-c4ccco4)cc3c2=O)c(OC)c1 ZINC000065240267 569120699 /nfs/dbraw/zinc/12/06/99/569120699.db2.gz ZVQVLEGCPNGKAP-UHFFFAOYSA-N 0 0 445.435 2.960 50 0 IFAARN COc1cccc(N2CCN(C(=O)c3cn(-c4cc(N5CCCCC5)ncn4)cn3)CC2)c1 ZINC000065239799 569120741 /nfs/dbraw/zinc/12/07/41/569120741.db2.gz WHFSNNKRFFJYQU-UHFFFAOYSA-N 0 0 447.543 2.624 50 0 IFAARN COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)C(=O)N(C)c1ncccc1O2 ZINC000065241499 569121100 /nfs/dbraw/zinc/12/11/00/569121100.db2.gz XYTCCVCDMNMOAS-UHFFFAOYSA-N 0 0 425.466 2.951 50 0 IFAARN C[C@@H](NC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1)c1ccc(F)cc1 ZINC000065254302 569122524 /nfs/dbraw/zinc/12/25/24/569122524.db2.gz WCSVOMDWUNKISG-OAHLLOKOSA-N 0 0 443.504 2.682 50 0 IFAARN C[C@@H]1CCCN(C(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cn3)cn2)C1 ZINC000065254351 569122631 /nfs/dbraw/zinc/12/26/31/569122631.db2.gz VCBIZFYRTBRZRQ-SJORKVTESA-N 0 0 431.562 2.560 50 0 IFAARN CCOc1ccc(N(CC)C(=O)c2nc3c(cnn3C)c(N3CCSCC3)n2)cc1 ZINC000065257222 569123392 /nfs/dbraw/zinc/12/33/92/569123392.db2.gz IXPPYIYAXNJEJI-UHFFFAOYSA-N 0 0 426.546 2.982 50 0 IFAARN CCN1CCCn2cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2C1=O ZINC000065258772 569124708 /nfs/dbraw/zinc/12/47/08/569124708.db2.gz NDROVPZBCOROSO-UHFFFAOYSA-N 0 0 436.965 2.518 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)cc1 ZINC000065259774 569124782 /nfs/dbraw/zinc/12/47/82/569124782.db2.gz GLZLJZPNKSNZTM-NRFANRHFSA-N 0 0 443.569 2.978 50 0 IFAARN O=C(NCCCn1cccn1)[C@@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000065259873 569124789 /nfs/dbraw/zinc/12/47/89/569124789.db2.gz ANHRODOZYZFLTQ-KRWDZBQOSA-N 0 0 436.603 2.722 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)cc1 ZINC000065259775 569124830 /nfs/dbraw/zinc/12/48/30/569124830.db2.gz GLZLJZPNKSNZTM-OAQYLSRUSA-N 0 0 443.569 2.978 50 0 IFAARN O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)c1ccc2c(c1)NC(=O)CO2 ZINC000013120260 569125139 /nfs/dbraw/zinc/12/51/39/569125139.db2.gz PMSRLYCZLIAXNV-QGZVFWFLSA-N 0 0 425.422 2.888 50 0 IFAARN COc1cc([C@H](CC(=O)NCc2c(C)noc2C)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731137 569126344 /nfs/dbraw/zinc/12/63/44/569126344.db2.gz LHKPWGIJYFCJEK-HNNXBMFYSA-N 0 0 428.441 2.811 50 0 IFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1csc(-c2cccnc2)n1 ZINC000524734191 569127558 /nfs/dbraw/zinc/12/75/58/569127558.db2.gz GSQSHMTXHIIFQI-GWJPWWOOSA-N 0 0 434.521 2.974 50 0 IFAARN COCc1nnc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)s1 ZINC000524733912 569127980 /nfs/dbraw/zinc/12/79/80/569127980.db2.gz CRXXIONVWASPJK-IBGZPJMESA-N 0 0 449.492 2.828 50 0 IFAARN Cn1c(SCC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)nnc1-c1ccc(F)cc1 ZINC000169970690 569128103 /nfs/dbraw/zinc/12/81/03/569128103.db2.gz LMEWYIMOZQNDKI-UHFFFAOYSA-N 0 0 446.529 2.918 50 0 IFAARN CSCC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524735344 569128177 /nfs/dbraw/zinc/12/81/77/569128177.db2.gz VKQBNIMXWUBWPK-SFHVURJKSA-N 0 0 426.498 2.993 50 0 IFAARN C=C1C(N2CCCN(C(=O)NCc3ccco3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271920 569128679 /nfs/dbraw/zinc/12/86/79/569128679.db2.gz VXMDIOCBOXXSBW-UHFFFAOYSA-N 0 0 428.514 2.670 50 0 IFAARN C=C1C(N2CCCN(C(=O)NCc3ccco3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065271911 569128737 /nfs/dbraw/zinc/12/87/37/569128737.db2.gz JICNIOMIABPDOK-UHFFFAOYSA-N 0 0 446.504 2.809 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCCCc2ccccc2)CC3)CC1 ZINC000065273316 569129315 /nfs/dbraw/zinc/12/93/15/569129315.db2.gz LPIDJASPYMGOAL-LJQANCHMSA-N 0 0 426.586 2.666 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc1OC ZINC000065273252 569129389 /nfs/dbraw/zinc/12/93/89/569129389.db2.gz TVXNHQDYDPGEAM-OAHLLOKOSA-N 0 0 444.557 2.572 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2cccc(Cl)c2)CC3)CC1 ZINC000065273378 569129450 /nfs/dbraw/zinc/12/94/50/569129450.db2.gz ZDJFIJRIFKZMRF-MRXNPFEDSA-N 0 0 432.977 2.886 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2cc(F)cc(F)c2)CC3)CC1 ZINC000065273368 569129479 /nfs/dbraw/zinc/12/94/79/569129479.db2.gz SBJLHDUFXKKABO-OAHLLOKOSA-N 0 0 434.512 2.511 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccc(F)cc2F)CC3)CC1 ZINC000065273367 569129490 /nfs/dbraw/zinc/12/94/90/569129490.db2.gz PEEPWYKDJAUEEQ-AWEZNQCLSA-N 0 0 434.512 2.511 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2cccc(OC)c2)CC3)CC1 ZINC000065273457 569129569 /nfs/dbraw/zinc/12/95/69/569129569.db2.gz VCWISIWULVZAEO-KRWDZBQOSA-N 0 0 442.585 2.632 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2ccc(F)cc2)CC3)CC1 ZINC000065273526 569129600 /nfs/dbraw/zinc/12/96/00/569129600.db2.gz XFFOOQMXRXCFBE-MRXNPFEDSA-N 0 0 430.549 2.762 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2ccccc2OC)CC3)CC1 ZINC000065273454 569129658 /nfs/dbraw/zinc/12/96/58/569129658.db2.gz ZSEQGFCXKRNFJF-MRXNPFEDSA-N 0 0 442.585 2.632 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccccc2F)CC3)CC1 ZINC000065273535 569129739 /nfs/dbraw/zinc/12/97/39/569129739.db2.gz TXHJUGVCUJZFAP-HNNXBMFYSA-N 0 0 430.549 2.762 50 0 IFAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccccc2)CC3)CC1 ZINC000065273613 569129910 /nfs/dbraw/zinc/12/99/10/569129910.db2.gz QOCGVNSHBVAWTI-SFHVURJKSA-N 0 0 426.586 2.869 50 0 IFAARN CCn1c2cnccc2nc(N2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1=O ZINC000065292727 569130780 /nfs/dbraw/zinc/13/07/80/569130780.db2.gz NDHSWBKHIGLIQJ-UHFFFAOYSA-N 0 0 447.417 2.672 50 0 IFAARN COCCn1c2cnccc2nc1[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000065293014 569130811 /nfs/dbraw/zinc/13/08/11/569130811.db2.gz DDTWJBZABYXWNH-GOSISDBHSA-N 0 0 426.542 2.745 50 0 IFAARN Cc1ccccc1OCC(=O)N1CCCN([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293326 569131063 /nfs/dbraw/zinc/13/10/63/569131063.db2.gz RACSGCYRYGBFPM-QFIPXVFZSA-N 0 0 439.531 2.848 50 0 IFAARN Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)N3CCC4(CC3)OCCO4)sc12 ZINC000065294066 569131154 /nfs/dbraw/zinc/13/11/54/569131154.db2.gz DKOQLRPWFRIBST-UHFFFAOYSA-N 0 0 427.530 2.592 50 0 IFAARN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)N3CCC4(CC3)OCCO4)sc12 ZINC000065294127 569131193 /nfs/dbraw/zinc/13/11/93/569131193.db2.gz RFARMBDEKNRGLQ-UHFFFAOYSA-N 0 0 441.557 2.901 50 0 IFAARN Cc1cccc(NC(=O)Cn2ncc3c2ncnc3N2CCN(c3ccccn3)CC2)c1C ZINC000065295678 569131440 /nfs/dbraw/zinc/13/14/40/569131440.db2.gz GGUHBPDLSSFODN-UHFFFAOYSA-N 0 0 442.527 2.803 50 0 IFAARN COc1ccc(-n2nc(C)c3sc(N4CCCN(C(=O)c5cnccn5)CC4)nc32)cc1 ZINC000065299993 569132261 /nfs/dbraw/zinc/13/22/61/569132261.db2.gz IGQMLOZZTNCBIH-UHFFFAOYSA-N 0 0 449.540 2.942 50 0 IFAARN CC(=O)Nc1nsc(N2CCC[C@H](C(=O)N3CCN(c4cc(C)ccc4C)CC3)C2)n1 ZINC000065307694 569132555 /nfs/dbraw/zinc/13/25/55/569132555.db2.gz QYRAOBHAGQBHCG-SFHVURJKSA-N 0 0 442.589 2.679 50 0 IFAARN CC(C)CCn1c2nn(CC(=O)Nc3ccccc3F)c(=O)n2c2ccsc2c1=O ZINC000065305188 569133011 /nfs/dbraw/zinc/13/30/11/569133011.db2.gz IRRZXHRLSFRPSN-UHFFFAOYSA-N 0 0 429.477 2.696 50 0 IFAARN Cc1cccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)c1C ZINC000065305278 569133065 /nfs/dbraw/zinc/13/30/65/569133065.db2.gz SSTYZJVMXFROHJ-UHFFFAOYSA-N 0 0 425.514 2.784 50 0 IFAARN CCCCn1c2nn(CC(=O)NCc3ccc(Cl)cc3)c(=O)n2c2ccsc2c1=O ZINC000065305365 569133151 /nfs/dbraw/zinc/13/31/51/569133151.db2.gz XBQVOLNIIBJPMM-UHFFFAOYSA-N 0 0 445.932 2.642 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3cc(C)cc(C)c3)c(=O)n2c2ccsc2c1=O ZINC000065305326 569133157 /nfs/dbraw/zinc/13/31/57/569133157.db2.gz RMKZYWANGFYKTE-UHFFFAOYSA-N 0 0 425.514 2.928 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccc(Cl)cc3)c(=O)n2c2ccsc2c1=O ZINC000065305351 569133185 /nfs/dbraw/zinc/13/31/85/569133185.db2.gz DZWMWZVBBUXODC-UHFFFAOYSA-N 0 0 431.905 2.965 50 0 IFAARN COc1cccc(C(=O)N2CCN=C2N2CCN(c3cccc(Cl)c3)CC2)c1OC ZINC000065306469 569133315 /nfs/dbraw/zinc/13/33/15/569133315.db2.gz IABUSNXZGBARED-UHFFFAOYSA-N 0 0 428.920 2.991 50 0 IFAARN O=C(Nc1ccc(F)cc1)c1ccc(CN2CCN(Cc3ccccn3)C(=O)C2=O)cc1 ZINC000065306544 569133386 /nfs/dbraw/zinc/13/33/86/569133386.db2.gz JEJJYXMTOVKDLH-UHFFFAOYSA-N 0 0 432.455 2.844 50 0 IFAARN COc1cccc(CNC(=O)CN2c3ccc(Cl)cc3C(=O)N3CCC[C@H]3C2=O)c1 ZINC000065306888 569133507 /nfs/dbraw/zinc/13/35/07/569133507.db2.gz NZAAVKRHLUOYPT-IBGZPJMESA-N 0 0 427.888 2.616 50 0 IFAARN COc1cccc(CNC(=O)CN2c3ccc(Cl)cc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000065306887 569133520 /nfs/dbraw/zinc/13/35/20/569133520.db2.gz NZAAVKRHLUOYPT-LJQANCHMSA-N 0 0 427.888 2.616 50 0 IFAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311507 569133794 /nfs/dbraw/zinc/13/37/94/569133794.db2.gz XACLAZTVCXDIBW-QGZVFWFLSA-N 0 0 448.571 2.736 50 0 IFAARN Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)NCc1ccc(F)cc1 ZINC000065318855 569134538 /nfs/dbraw/zinc/13/45/38/569134538.db2.gz AEPDLPAIQXPHQV-UHFFFAOYSA-N 0 0 444.488 2.899 50 0 IFAARN Cc1ccc(CNC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)o1 ZINC000065319165 569134625 /nfs/dbraw/zinc/13/46/25/569134625.db2.gz BHXYZGMWIQNIHE-UHFFFAOYSA-N 0 0 430.486 2.743 50 0 IFAARN Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)NCc1ccco1 ZINC000065318929 569134631 /nfs/dbraw/zinc/13/46/31/569134631.db2.gz UQEPXFDJTHGPKK-UHFFFAOYSA-N 0 0 430.486 2.743 50 0 IFAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000036705942 569134688 /nfs/dbraw/zinc/13/46/88/569134688.db2.gz DTIUPDDWJHXWNN-UHFFFAOYSA-N 0 0 440.569 2.632 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3nnc4c(Cl)cccn43)C2)c1 ZINC000065312717 569134975 /nfs/dbraw/zinc/13/49/75/569134975.db2.gz WSGHOKSVEWSXRJ-AWEZNQCLSA-N 0 0 429.908 2.933 50 0 IFAARN O=C(NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1)c1cc(-c2ccco2)n[nH]1 ZINC000036700488 569135307 /nfs/dbraw/zinc/13/53/07/569135307.db2.gz CXXNMJXDIHLLKP-UHFFFAOYSA-N 0 0 433.403 2.722 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065313960 569135350 /nfs/dbraw/zinc/13/53/50/569135350.db2.gz UMUNWPSXDPXPQH-LJQANCHMSA-N 0 0 446.507 2.918 50 0 IFAARN Cn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1ccc(F)cc1F ZINC000065319765 569135953 /nfs/dbraw/zinc/13/59/53/569135953.db2.gz NHXHODFBEALWRA-UHFFFAOYSA-N 0 0 437.497 2.999 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)CN2CCC(Cn3cnc4ccccc43)CC2)n1 ZINC000036708897 569136120 /nfs/dbraw/zinc/13/61/20/569136120.db2.gz MPLLLWIRXIVJHP-UHFFFAOYSA-N 0 0 441.557 2.949 50 0 IFAARN COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1ccccc1Br ZINC000238818648 569136455 /nfs/dbraw/zinc/13/64/55/569136455.db2.gz CBTROXUSANWWMR-GOSISDBHSA-N 0 0 426.332 2.960 50 0 IFAARN O=C(c1cnccn1)N(CCN1CCOCC1)c1nc2ccc(Br)cc2s1 ZINC000036716013 569136790 /nfs/dbraw/zinc/13/67/90/569136790.db2.gz NIKVBLLCLZXUJO-UHFFFAOYSA-N 0 0 448.346 2.828 50 0 IFAARN COc1ccccc1-c1cc(C(=O)NCCN2Cc3cc(Cl)ccc3OCC2=O)[nH]n1 ZINC000238896522 569137750 /nfs/dbraw/zinc/13/77/50/569137750.db2.gz RCIBGMRAULHZQE-UHFFFAOYSA-N 0 0 440.887 2.890 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@H](C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000036801120 569138089 /nfs/dbraw/zinc/13/80/89/569138089.db2.gz ZPWDHNWFPIVSKR-LBPRGKRZSA-N 0 0 425.411 2.722 50 0 IFAARN CS(=O)(=O)c1cccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000065497230 569138866 /nfs/dbraw/zinc/13/88/66/569138866.db2.gz ACYHDGXNPOFOTN-IBGZPJMESA-N 0 0 431.510 2.994 50 0 IFAARN O=C(Nc1ccc(C(=O)OCCCn2c(=O)[nH]c3ccccc3c2=O)cc1)c1ccco1 ZINC000065562969 569139260 /nfs/dbraw/zinc/13/92/60/569139260.db2.gz JUPDRYUIUATEIN-UHFFFAOYSA-N 0 0 433.420 2.782 50 0 IFAARN CCCc1nc2c3cc(OC)c(OC)cc3n(CC(=O)c3ccc(OC)cc3)c(=O)n2n1 ZINC000065535133 569139502 /nfs/dbraw/zinc/13/95/02/569139502.db2.gz DOHOMGNFFRBILF-UHFFFAOYSA-N 0 0 436.468 2.905 50 0 IFAARN O=C(/C=C/c1cc(Br)ccc1F)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000065603726 569140096 /nfs/dbraw/zinc/14/00/96/569140096.db2.gz REJWDFYGLPQYMO-PFWMLDTASA-N 0 0 425.298 2.841 50 0 IFAARN Cc1ccc(NC2=N[C@]3(c4ccccc4NC3=O)n3c(nc4c3=Nc3ccccc3-4)=N2)cc1 ZINC000009668947 569141240 /nfs/dbraw/zinc/14/12/40/569141240.db2.gz BKRMHZJFEPTTRM-RUZDIDTESA-N 0 0 431.459 2.878 50 0 IFAARN COC(=O)C1(NC(=O)Cn2ncc3c2[C@H](NC(=O)OC(C)(C)C)CCC3)CCCCC1 ZINC000170595698 569141716 /nfs/dbraw/zinc/14/17/16/569141716.db2.gz VCMBPRAIRDZEAA-MRXNPFEDSA-N 0 0 434.537 2.777 50 0 IFAARN CN(C)CC(=O)Nc1ccc(NC(=O)C=C2CC(=O)N(c3cccc(Cl)c3)N2)cc1 ZINC000170596627 569141740 /nfs/dbraw/zinc/14/17/40/569141740.db2.gz AWXOKCOFLGFIEV-UHFFFAOYSA-N 0 0 427.892 2.962 50 0 IFAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1cc2cc(Br)ccc2[nH]1 ZINC000170596937 569141934 /nfs/dbraw/zinc/14/19/34/569141934.db2.gz QBPDALYOLULUNK-UHFFFAOYSA-N 0 0 430.258 2.705 50 0 IFAARN CCC1(CC)CN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)C(C)C)CC[S@@]1=O ZINC000170597532 569142276 /nfs/dbraw/zinc/14/22/76/569142276.db2.gz QDGLQFZEMFPFIU-VKGTZQKMSA-N 0 0 442.647 2.756 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@H](OCc2csc(C)n2)C1 ZINC000170599088 569142465 /nfs/dbraw/zinc/14/24/65/569142465.db2.gz ZOACDGPORQIKFI-RXVVDRJESA-N 0 0 426.542 2.798 50 0 IFAARN COc1ccc(NC(=O)CN2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)cc1 ZINC000170599764 569142569 /nfs/dbraw/zinc/14/25/69/569142569.db2.gz STMRLLYXWYNMLO-SFHVURJKSA-N 0 0 448.564 2.519 50 0 IFAARN Cc1ccc([C@@](O)(Cc2nc(CNS(=O)(=O)c3ccc(F)cc3)no2)C(F)(F)F)o1 ZINC000170601607 569142921 /nfs/dbraw/zinc/14/29/21/569142921.db2.gz VRVBGCBSDQVHOO-INIZCTEOSA-N 0 0 449.382 2.581 50 0 IFAARN O=C(c1ccc(-n2cncn2)c(F)c1)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000170604796 569143584 /nfs/dbraw/zinc/14/35/84/569143584.db2.gz DGLYGSYDWUIURS-UHFFFAOYSA-N 0 0 441.414 2.629 50 0 IFAARN Cc1ccc(CNC(=O)c2nnc(CN[C@@H]3CCCC[C@@H]3N3CCOCC3)s2)cc1 ZINC000170607320 569144294 /nfs/dbraw/zinc/14/42/94/569144294.db2.gz CANHCYARAAUXHR-MOPGFXCFSA-N 0 0 429.590 2.510 50 0 IFAARN CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000170608951 569144934 /nfs/dbraw/zinc/14/49/34/569144934.db2.gz POFWGIQXWBXZJE-LJQANCHMSA-N 0 0 437.452 2.596 50 0 IFAARN COCCS(=O)(=O)N(Cc1ccccn1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000170611311 569145176 /nfs/dbraw/zinc/14/51/76/569145176.db2.gz IJQFAQYMZPFLDU-SFHVURJKSA-N 0 0 427.567 2.649 50 0 IFAARN CCOC(=O)[C@H](Cc1ccccc1)N(C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000170623616 569148234 /nfs/dbraw/zinc/14/82/34/569148234.db2.gz ONIJQSYBOHYJHV-QHCPKHFHSA-N 0 0 439.556 2.564 50 0 IFAARN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1 ZINC000170623413 569148248 /nfs/dbraw/zinc/14/82/48/569148248.db2.gz HQRJZZXNJAIODW-MRXNPFEDSA-N 0 0 439.917 2.840 50 0 IFAARN CCOC(=O)[C@@H](Cc1ccccc1)N(C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000170623615 569148302 /nfs/dbraw/zinc/14/83/02/569148302.db2.gz ONIJQSYBOHYJHV-HSZRJFAPSA-N 0 0 439.556 2.564 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc4ncccc43)C2=O)cc1OC ZINC000170625579 569148435 /nfs/dbraw/zinc/14/84/35/569148435.db2.gz UBDBOJOOOOLPOT-IBGZPJMESA-N 0 0 448.479 2.744 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(CC)cc1 ZINC000009761653 569149075 /nfs/dbraw/zinc/14/90/75/569149075.db2.gz HLFJVSHKZABIRO-UHFFFAOYSA-N 0 0 428.466 2.739 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OS(=O)(=O)c1ccc(C)cc1C ZINC000009761601 569149136 /nfs/dbraw/zinc/14/91/36/569149136.db2.gz YBFBRDMVZUPAEK-UHFFFAOYSA-N 0 0 446.456 2.933 50 0 IFAARN CCCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000071184903 569149393 /nfs/dbraw/zinc/14/93/93/569149393.db2.gz MWZNUUAPJNFBKI-SFHVURJKSA-N 0 0 435.952 2.718 50 0 IFAARN Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000009882833 569149753 /nfs/dbraw/zinc/14/97/53/569149753.db2.gz UNUVOTWCJSZFFM-ZDUSSCGKSA-N 0 0 431.543 2.573 50 0 IFAARN CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)[C@@H]1CCCc2ccccc21 ZINC000009884261 569150354 /nfs/dbraw/zinc/15/03/54/569150354.db2.gz OSASQRIDCHXHTP-KOSHJBKYSA-N 0 0 435.480 2.718 50 0 IFAARN Cc1ccc(C2=NN(C(=O)Cn3nnn(-c4ccccc4)c3=O)[C@H](c3ccco3)C2)cc1 ZINC000009910440 569150488 /nfs/dbraw/zinc/15/04/88/569150488.db2.gz FXJMUXINCMFWBJ-FQEVSTJZSA-N 0 0 428.452 2.708 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000071286275 569150904 /nfs/dbraw/zinc/15/09/04/569150904.db2.gz RANNVVJXUGDICW-UHFFFAOYSA-N 0 0 429.908 2.769 50 0 IFAARN O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)N1CCCCCC1 ZINC000071286423 569150939 /nfs/dbraw/zinc/15/09/39/569150939.db2.gz OVDYELPSZMSTSQ-UHFFFAOYSA-N 0 0 429.952 2.626 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1C ZINC000010026562 569151633 /nfs/dbraw/zinc/15/16/33/569151633.db2.gz PUYQIEPBLCRYKA-MRXNPFEDSA-N 0 0 443.500 2.759 50 0 IFAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000010026072 569151669 /nfs/dbraw/zinc/15/16/69/569151669.db2.gz RUOSRPGWBDGAQN-IBGZPJMESA-N 0 0 429.498 2.832 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000010026263 569151685 /nfs/dbraw/zinc/15/16/85/569151685.db2.gz BXAIMLADVNIBNJ-GOSISDBHSA-N 0 0 446.507 2.930 50 0 IFAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 ZINC000010029201 569151891 /nfs/dbraw/zinc/15/18/91/569151891.db2.gz CLFZJUJBWCLTIS-GFCCVEGCSA-N 0 0 436.555 2.783 50 0 IFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000010216728 569153140 /nfs/dbraw/zinc/15/31/40/569153140.db2.gz YUJLNBQLRJDZBO-UHFFFAOYSA-N 0 0 440.525 2.518 50 0 IFAARN COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000010219312 569153729 /nfs/dbraw/zinc/15/37/29/569153729.db2.gz GZQNUVWWJNJIKP-UHFFFAOYSA-N 0 0 432.479 2.960 50 0 IFAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 ZINC000010219532 569153764 /nfs/dbraw/zinc/15/37/64/569153764.db2.gz KXTIZCOTICWPGP-UHFFFAOYSA-N 0 0 434.495 2.879 50 0 IFAARN O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCCC2)Nc1ccc2c(c1)OCO2 ZINC000010255457 569154051 /nfs/dbraw/zinc/15/40/51/569154051.db2.gz QALSSMZHHFUODO-OAHLLOKOSA-N 0 0 443.525 2.761 50 0 IFAARN CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(C[C@@H]3CCCO3)c3c2CCC3)c1 ZINC000010255364 569154091 /nfs/dbraw/zinc/15/40/91/569154091.db2.gz MOGAYAFRSYMTLL-KRWDZBQOSA-N 0 0 427.526 2.844 50 0 IFAARN CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(C[C@H]3CCCO3)c3c2CCC3)cc1 ZINC000010255287 569154107 /nfs/dbraw/zinc/15/41/07/569154107.db2.gz RPFGXTAAWKNOET-QGZVFWFLSA-N 0 0 427.526 2.844 50 0 IFAARN COc1cc2c(cc1OC)S(=O)(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)C2=O ZINC000071853631 569154740 /nfs/dbraw/zinc/15/47/40/569154740.db2.gz FYNKUPHWMNDGQS-UHFFFAOYSA-N 0 0 432.498 2.919 50 0 IFAARN Cc1cc(C)c(CNC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c(=O)[nH]1 ZINC000010458831 569154758 /nfs/dbraw/zinc/15/47/58/569154758.db2.gz ITPKSNUUJWRPHM-UHFFFAOYSA-N 0 0 438.484 2.886 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000013294965 569154938 /nfs/dbraw/zinc/15/49/38/569154938.db2.gz UIYOOOLBNCOVHL-LJQANCHMSA-N 0 0 433.505 2.759 50 0 IFAARN COc1ccccc1-c1nnc2ccc(OCCNC(=O)c3ccc(F)c(F)c3)nn21 ZINC000013525689 569155567 /nfs/dbraw/zinc/15/55/67/569155567.db2.gz NUHLVWJFBASMTB-UHFFFAOYSA-N 0 0 425.395 2.887 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1 ZINC000013695471 569156507 /nfs/dbraw/zinc/15/65/07/569156507.db2.gz KXUIYAWZJHFMNE-UHFFFAOYSA-N 0 0 439.493 2.985 50 0 IFAARN O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)Nc1ccc2c(c1)OCCO2 ZINC000013705763 569156658 /nfs/dbraw/zinc/15/66/58/569156658.db2.gz VLPYLBGZWMQYBK-UHFFFAOYSA-N 0 0 432.440 2.763 50 0 IFAARN COc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCc3ccc(O)cc3)CC2)cc1 ZINC000013691564 569156676 /nfs/dbraw/zinc/15/66/76/569156676.db2.gz GKTQTOWFIRFCQV-UHFFFAOYSA-N 0 0 446.569 2.844 50 0 IFAARN O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccc2c(c1)OCO2 ZINC000013706062 569156791 /nfs/dbraw/zinc/15/67/91/569156791.db2.gz WGYMUPVVSHRCTN-UHFFFAOYSA-N 0 0 436.403 2.860 50 0 IFAARN C[C@H]1Oc2ccccc2C=C1/C=c1\sc2nc(=O)c(Cc3ccc(F)cc3)nn2c1=O ZINC000013777291 569156909 /nfs/dbraw/zinc/15/69/09/569156909.db2.gz DBVSCMFKXBONLB-UAAGNOOKSA-N 0 0 433.464 2.605 50 0 IFAARN Cc1ccc(-c2ccc(=O)n(CCCNC(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)n2)cc1 ZINC000013801205 569157134 /nfs/dbraw/zinc/15/71/34/569157134.db2.gz NGZRMEBXENMDQS-QGZVFWFLSA-N 0 0 435.480 2.921 50 0 IFAARN C[C@@H](C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1c2ccccc2oc1=O ZINC000014308966 569158469 /nfs/dbraw/zinc/15/84/69/569158469.db2.gz KFMVYOXDSCHBLB-INIZCTEOSA-N 0 0 443.525 2.647 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000014425244 569159126 /nfs/dbraw/zinc/15/91/26/569159126.db2.gz HDEKFOHNXXREBZ-GOSISDBHSA-N 0 0 429.542 2.703 50 0 IFAARN CCOc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCC1 ZINC000014629428 569159581 /nfs/dbraw/zinc/15/95/81/569159581.db2.gz XCXDDEFGZXHQQH-LJQANCHMSA-N 0 0 432.498 2.648 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCC1 ZINC000014629426 569159602 /nfs/dbraw/zinc/15/96/02/569159602.db2.gz XCXDDEFGZXHQQH-IBGZPJMESA-N 0 0 432.498 2.648 50 0 IFAARN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000089651168 569160460 /nfs/dbraw/zinc/16/04/60/569160460.db2.gz MMALDCWFEOGXKT-QGZVFWFLSA-N 0 0 446.554 2.709 50 0 IFAARN Cc1ccc(Cn2c(=O)c3c(nc(SCC(=O)c4ccccc4)n3C)n(C)c2=O)cc1 ZINC000016839534 569162986 /nfs/dbraw/zinc/16/29/86/569162986.db2.gz CCWHLFRRXUPIAY-UHFFFAOYSA-N 0 0 434.521 2.765 50 0 IFAARN O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)Nc1ccc2c(c1)OCO2 ZINC000016843604 569163712 /nfs/dbraw/zinc/16/37/12/569163712.db2.gz ZOEHNUMRUKNZDW-UHFFFAOYSA-N 0 0 427.486 2.683 50 0 IFAARN O=c1c2nnn(Cc3cccc(Cl)c3)c2ncn1Cc1nc(-c2ccc(F)cc2)no1 ZINC000016845468 569163810 /nfs/dbraw/zinc/16/38/10/569163810.db2.gz CHWYAGPNKCZRFC-UHFFFAOYSA-N 0 0 437.822 2.927 50 0 IFAARN O=C([C@@H]1CCCN1Cc1ccnc(-c2ccc(Br)cc2)n1)N1CCOCC1 ZINC000089793869 569164013 /nfs/dbraw/zinc/16/40/13/569164013.db2.gz WORMKLISAYJDIV-SFHVURJKSA-N 0 0 431.334 2.729 50 0 IFAARN NS(=O)(=O)c1ccc(CNC(=O)CCc2csc3nc(-c4ccccc4)cn23)cc1 ZINC000016848706 569164417 /nfs/dbraw/zinc/16/44/17/569164417.db2.gz OWYGTRRTRXUWMI-UHFFFAOYSA-N 0 0 440.550 2.959 50 0 IFAARN O=C(/C=C/c1ccccc1)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O ZINC000016850543 569164800 /nfs/dbraw/zinc/16/48/00/569164800.db2.gz BXIPIQOPCXXCKS-VAWYXSNFSA-N 0 0 443.503 2.713 50 0 IFAARN CC(C)COC(=O)N1CCC(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)CC1 ZINC000089840251 569165590 /nfs/dbraw/zinc/16/55/90/569165590.db2.gz BTAVIGCJPWNLPJ-UHFFFAOYSA-N 0 0 430.549 2.555 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCc2ccccc21 ZINC000089878785 569166546 /nfs/dbraw/zinc/16/65/46/569166546.db2.gz IJOGUUAACZEWBV-UHFFFAOYSA-N 0 0 435.549 2.735 50 0 IFAARN C[C@H](O)C[C@H]1CCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000089895231 569166795 /nfs/dbraw/zinc/16/67/95/569166795.db2.gz VJQLMTWIDHYBCW-DOTOQJQBSA-N 0 0 438.571 2.714 50 0 IFAARN COc1ccc([C@@H](CNC(=O)CCC(=O)N[C@H](C)c2ccccc2)N2CCOCC2)cc1 ZINC000089905553 569167168 /nfs/dbraw/zinc/16/71/68/569167168.db2.gz NHDAVPBWXWQGCW-AUSIDOKSSA-N 0 0 439.556 2.842 50 0 IFAARN COc1ccc([C@@H](CNC(=O)[C@]2(C)CCCN2C(=O)OC(C)(C)C)N2CCOCC2)cc1 ZINC000089919341 569167739 /nfs/dbraw/zinc/16/77/39/569167739.db2.gz QIYOYRQKOMCVEB-YKSBVNFPSA-N 0 0 447.576 2.974 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCSC[C@@H]3CCO)ccc2Cl)C1 ZINC000089929824 569167876 /nfs/dbraw/zinc/16/78/76/569167876.db2.gz YWQPFIFRIUSSQQ-ZBFHGGJFSA-N 0 0 447.022 2.701 50 0 IFAARN C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000089930221 569168003 /nfs/dbraw/zinc/16/80/03/569168003.db2.gz KMJKZDCFYYZHCX-FGTMMUONSA-N 0 0 443.510 2.770 50 0 IFAARN C[C@@H]1CN(c2ccc(NC(=O)NCC3(O)CCC4(CC3)OCCO4)cc2F)C[C@H](C)O1 ZINC000089936823 569168249 /nfs/dbraw/zinc/16/82/49/569168249.db2.gz RWYSAJYCZPSACQ-IYBDPMFKSA-N 0 0 437.512 2.609 50 0 IFAARN CCC(=O)NCc1cc(S(=O)(=O)N(CC)C[C@@H]2COc3ccccc3O2)ccc1OC ZINC000089941763 569168370 /nfs/dbraw/zinc/16/83/70/569168370.db2.gz MNZBZUVJEOAJNZ-QGZVFWFLSA-N 0 0 448.541 2.572 50 0 IFAARN COc1cn(CC(=O)NC2CCCCC2)c(CN2CCN(c3ccccc3)CC2)cc1=O ZINC000016974658 569168681 /nfs/dbraw/zinc/16/86/81/569168681.db2.gz ASJXXGBYFJMKHU-UHFFFAOYSA-N 0 0 438.572 2.628 50 0 IFAARN CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000016974968 569168692 /nfs/dbraw/zinc/16/86/92/569168692.db2.gz YRYVZKCCXIQREK-UHFFFAOYSA-N 0 0 445.360 2.962 50 0 IFAARN Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)NCCc1c[nH]c2ccccc12 ZINC000016980794 569169299 /nfs/dbraw/zinc/16/92/99/569169299.db2.gz CMYVCWXWMJININ-UHFFFAOYSA-N 0 0 432.528 2.962 50 0 IFAARN COc1ccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1OC ZINC000207984212 569170052 /nfs/dbraw/zinc/17/00/52/569170052.db2.gz LXOLFQXVBNPLTE-GOSISDBHSA-N 0 0 436.505 2.991 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2ccccc2C)c2ccco2)cc1 ZINC000017043263 569171379 /nfs/dbraw/zinc/17/13/79/569171379.db2.gz CEWKOVMPGKFISH-OAQYLSRUSA-N 0 0 440.521 2.844 50 0 IFAARN COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccc(C)cc2)c1 ZINC000017041834 569171477 /nfs/dbraw/zinc/17/14/77/569171477.db2.gz INSDHEOTDNWDTD-UHFFFAOYSA-N 0 0 435.509 2.844 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)CCc2ccccc2)CC3)cc1 ZINC000017050833 569171765 /nfs/dbraw/zinc/17/17/65/569171765.db2.gz AZVJBVOMNRFGJF-UHFFFAOYSA-N 0 0 428.554 2.967 50 0 IFAARN COc1ccccc1CNC(=O)c1cn(C)c2c1[nH]c(=O)n(-c1ccc(Cl)cc1)c2=O ZINC000017149034 569174843 /nfs/dbraw/zinc/17/48/43/569174843.db2.gz JJJYQHGLRXWDDL-UHFFFAOYSA-N 0 0 438.871 2.610 50 0 IFAARN O=c1ccc(-c2ccc(Cl)cc2)nn1CCNS(=O)(=O)c1cc(F)ccc1F ZINC000017156594 569175098 /nfs/dbraw/zinc/17/50/98/569175098.db2.gz MNEJLQKDUHYZLZ-UHFFFAOYSA-N 0 0 425.844 2.820 50 0 IFAARN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccccc1F ZINC000000780918 569176122 /nfs/dbraw/zinc/17/61/22/569176122.db2.gz YIXOHEWQHGWSHS-UHFFFAOYSA-N 0 0 438.492 2.870 50 0 IFAARN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)cc1 ZINC000001059781 569176528 /nfs/dbraw/zinc/17/65/28/569176528.db2.gz UZUASINYGWKBPG-UHFFFAOYSA-N 0 0 438.933 2.828 50 0 IFAARN COC(=O)Cc1c(C)nc2[nH]c(NCc3ccc(OCc4ccccc4)cc3)nn2c1=O ZINC000001057299 569176543 /nfs/dbraw/zinc/17/65/43/569176543.db2.gz WSNHBGBZZUXNBJ-UHFFFAOYSA-N 0 0 433.468 2.633 50 0 IFAARN C[C@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000001076518 569176690 /nfs/dbraw/zinc/17/66/90/569176690.db2.gz RJVDCGVFCFZZGV-OAHLLOKOSA-N 0 0 439.940 2.982 50 0 IFAARN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)c1 ZINC000002870411 569177487 /nfs/dbraw/zinc/17/74/87/569177487.db2.gz OWPWRZPWJMBYDS-UHFFFAOYSA-N 0 0 438.889 2.734 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000002093825 569179074 /nfs/dbraw/zinc/17/90/74/569179074.db2.gz TVSCAVKGPVJGIA-CQSZACIVSA-N 0 0 427.478 2.863 50 0 IFAARN CC(C)(C)OC(=O)N1CC[C@H](CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000170639670 569179638 /nfs/dbraw/zinc/17/96/38/569179638.db2.gz JAUPRGDLZNQHMI-MRXNPFEDSA-N 0 0 443.997 2.903 50 0 IFAARN COC(CN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2C)C1=O)OC ZINC000002108481 569181670 /nfs/dbraw/zinc/18/16/70/569181670.db2.gz VKNOYTRGTAJFOT-RDPSFJRHSA-N 0 0 433.508 2.780 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc([C@H]4CCCO4)o3)cc2)C1 ZINC000252427591 569183305 /nfs/dbraw/zinc/18/33/05/569183305.db2.gz LZDURJFBXFJCPQ-CKEIUWERSA-N 0 0 434.518 2.840 50 0 IFAARN C[C@@H]1CN([C@H](CNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c2c(F)cccc2Cl)CCO1 ZINC000252460542 569184434 /nfs/dbraw/zinc/18/44/34/569184434.db2.gz GEEATKIKUODUAU-IDHHARJASA-N 0 0 437.943 2.616 50 0 IFAARN COCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)c(OC)c2)C1=O ZINC000002155734 569187590 /nfs/dbraw/zinc/18/75/90/569187590.db2.gz XLFXKEORUZCZNB-CYFREDJKSA-N 0 0 449.507 2.516 50 0 IFAARN COc1ccccc1OCC(=O)NC[C@H](NC(=O)COc1ccccc1OC)C(C)(C)C ZINC000252500534 569188098 /nfs/dbraw/zinc/18/80/98/569188098.db2.gz SXIUFUZQQCHFRT-NRFANRHFSA-N 0 0 444.528 2.809 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1 ZINC000010386741 569188318 /nfs/dbraw/zinc/18/83/18/569188318.db2.gz RNQRLUPARPJPPM-UHFFFAOYSA-N 0 0 436.555 2.668 50 0 IFAARN CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252512439 569188841 /nfs/dbraw/zinc/18/88/41/569188841.db2.gz QOMGLHGUYZOJMY-ZWKOTPCHSA-N 0 0 426.560 2.533 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)C[C@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000252536322 569189864 /nfs/dbraw/zinc/18/98/64/569189864.db2.gz IEBARXFLSNEUNV-HXUWFJFHSA-N 0 0 433.468 2.822 50 0 IFAARN O=C(CC[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCO[C@H](c2ccccc2)C1 ZINC000252537272 569190026 /nfs/dbraw/zinc/19/00/26/569190026.db2.gz KVSHUPBYHDXQIB-UXHICEINSA-N 0 0 425.460 2.831 50 0 IFAARN COc1ccccc1CCNC(=O)C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000252539620 569190107 /nfs/dbraw/zinc/19/01/07/569190107.db2.gz OESFCJDFDXKZHQ-HXUWFJFHSA-N 0 0 434.496 2.593 50 0 IFAARN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000252539452 569190218 /nfs/dbraw/zinc/19/02/18/569190218.db2.gz NZXOREWKYIFEQI-HTDNTCHWSA-N 0 0 440.632 2.879 50 0 IFAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1ccc(Cn2cncn2)cc1 ZINC000252568976 569191052 /nfs/dbraw/zinc/19/10/52/569191052.db2.gz VSEAPMNXFQDGQA-GOSISDBHSA-N 0 0 438.875 2.633 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000002196238 569191371 /nfs/dbraw/zinc/19/13/71/569191371.db2.gz JPIWEYDYKWSXRG-NVXWUHKLSA-N 0 0 430.888 2.857 50 0 IFAARN CC[C@H](C(=O)NCCOC)n1c2ccccc2c(=O)n(-c2ccc(C)c(Cl)c2)c1=O ZINC000037401967 569195143 /nfs/dbraw/zinc/19/51/43/569195143.db2.gz NVRDWYXKWJKBAZ-GOSISDBHSA-N 0 0 429.904 2.828 50 0 IFAARN COc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)[nH]n2)cc1S(=O)(=O)N(C)C ZINC000037442791 569197089 /nfs/dbraw/zinc/19/70/89/569197089.db2.gz FVOKNKAGNFENIZ-IIAWOOMASA-N 0 0 434.562 2.890 50 0 IFAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN(CC)CC(=O)NC(C)(C)C ZINC000007684020 569197386 /nfs/dbraw/zinc/19/73/86/569197386.db2.gz SJYBAVUFLAHHRP-UHFFFAOYSA-N 0 0 425.551 2.611 50 0 IFAARN C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCCOc1ccccc1 ZINC000037503515 569197858 /nfs/dbraw/zinc/19/78/58/569197858.db2.gz WEFOLVTZWYTPIB-YVEFUNNKSA-N 0 0 448.324 2.643 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Br)cc3F)C2=O)C1 ZINC000037572695 569201234 /nfs/dbraw/zinc/20/12/34/569201234.db2.gz SPXQQEJCXTYCLU-TZMCWYRMSA-N 0 0 441.297 2.743 50 0 IFAARN CCOC(=O)[C@@H]1[C@H]2c3ccccc3C=NN2[C@H](C(=O)OCC)[C@@H]2c3ccccc3C=NN12 ZINC000002212419 569201735 /nfs/dbraw/zinc/20/17/35/569201735.db2.gz UEGOQIIYBYDIQE-LRSLUSHPSA-N 0 0 432.480 2.645 50 0 IFAARN Cc1ccc(S(=O)(=O)NC(C)(C)CO)cc1-c1nnc2c3ccccc3c(C)nn12 ZINC000002220034 569204347 /nfs/dbraw/zinc/20/43/47/569204347.db2.gz WUPBHQIRIRACIA-UHFFFAOYSA-N 0 0 425.514 2.611 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252668987 569209803 /nfs/dbraw/zinc/20/98/03/569209803.db2.gz GCSRYIUBFIRDKF-NRFANRHFSA-N 0 0 434.517 2.807 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000252669261 569209817 /nfs/dbraw/zinc/20/98/17/569209817.db2.gz HAAXBSWVXZCUNO-IBGZPJMESA-N 0 0 440.546 2.868 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000252669262 569209830 /nfs/dbraw/zinc/20/98/30/569209830.db2.gz HAAXBSWVXZCUNO-LJQANCHMSA-N 0 0 440.546 2.868 50 0 IFAARN Cc1cc(I)ccc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000000781586 569211030 /nfs/dbraw/zinc/21/10/30/569211030.db2.gz ZHZSTDCTVBRBOI-UHFFFAOYSA-N 0 0 431.251 2.807 50 0 IFAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(OC)c(OC)c3)N2C1=O ZINC000002246774 569214535 /nfs/dbraw/zinc/21/45/35/569214535.db2.gz HZXWPYLZVMCYFR-AEFFLSMTSA-N 0 0 434.514 2.932 50 0 IFAARN O=C(CSc1nnc(CNC(=O)c2cccs2)o1)Nc1ccc2c(c1)OCCO2 ZINC000009673958 569216216 /nfs/dbraw/zinc/21/62/16/569216216.db2.gz VEIXDXQYMBTRSC-UHFFFAOYSA-N 0 0 432.483 2.563 50 0 IFAARN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000013039473 569256724 /nfs/dbraw/zinc/25/67/24/569256724.db2.gz QGILCUABKMDRCM-MRXNPFEDSA-N 0 0 428.533 2.734 50 0 IFAARN CC(C)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)O)C(=O)OCc1ccccc1 ZINC000100816648 569258712 /nfs/dbraw/zinc/25/87/12/569258712.db2.gz HJNYSZOPKBPHFX-YYWHXJBOSA-N 0 0 442.512 2.546 50 0 IFAARN CCC(=O)N1CC[C@](CC)(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000065292016 569263722 /nfs/dbraw/zinc/26/37/22/569263722.db2.gz RNWPEKJVLFGBKV-IBGZPJMESA-N 0 0 447.523 2.803 50 0 IFAARN O=C(Nc1nccs1)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000253370313 569264090 /nfs/dbraw/zinc/26/40/90/569264090.db2.gz PGUJAMLMEJPJMF-BMFZPTHFSA-N 0 0 449.554 2.875 50 0 IFAARN COc1ccc(-c2cc3ccc(OCC(=O)N[C@H](CO)C(C)C)cc3oc2=O)cc1OC ZINC000253404750 569265109 /nfs/dbraw/zinc/26/51/09/569265109.db2.gz HYJCSPUUESRMDC-LJQANCHMSA-N 0 0 441.480 2.989 50 0 IFAARN O=C1CNC(=O)N1C1CCN(S(=O)(=O)c2ccc(-c3cccc(Cl)c3)cc2)CC1 ZINC000253406890 569265478 /nfs/dbraw/zinc/26/54/78/569265478.db2.gz VFANNHAJGWEDQT-UHFFFAOYSA-N 0 0 433.917 2.712 50 0 IFAARN NC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)cc1 ZINC000253410020 569265616 /nfs/dbraw/zinc/26/56/16/569265616.db2.gz MSVZFXOHLAJRPS-HSZRJFAPSA-N 0 0 440.459 2.929 50 0 IFAARN COc1ccc2c(ccn2CCCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)c1 ZINC000253412394 569265889 /nfs/dbraw/zinc/26/58/89/569265889.db2.gz QWMSMSGBALZZSH-FQEVSTJZSA-N 0 0 434.496 2.687 50 0 IFAARN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1C ZINC000253415214 569266324 /nfs/dbraw/zinc/26/63/24/569266324.db2.gz FXTARGYDBMPPER-QGZVFWFLSA-N 0 0 436.530 3.000 50 0 IFAARN O=C(Nc1cccc(Oc2ccccc2)c1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000253425158 569267240 /nfs/dbraw/zinc/26/72/40/569267240.db2.gz PYXDWHQVXFOADC-UHFFFAOYSA-N 0 0 427.486 2.740 50 0 IFAARN NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000027551453 569271991 /nfs/dbraw/zinc/27/19/91/569271991.db2.gz DCWHYNRPFPHBEU-OAQYLSRUSA-N 0 0 445.541 2.803 50 0 IFAARN CC(C)CNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000027554031 569272217 /nfs/dbraw/zinc/27/22/17/569272217.db2.gz HAUSFKXPXRIPED-HNNXBMFYSA-N 0 0 428.549 2.718 50 0 IFAARN CCOC(=O)[C@H]1N[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000002317089 569272447 /nfs/dbraw/zinc/27/24/47/569272447.db2.gz VNNZLGIBHWIYBJ-XDNAFOTISA-N 0 0 443.297 2.831 50 0 IFAARN COc1cc(-c2cc(C(=O)N[C@@H](Cn3nccn3)c3ccccc3)[nH]n2)cc(OC)c1OC ZINC000253473277 569282903 /nfs/dbraw/zinc/28/29/03/569282903.db2.gz TYSBJITWQVRAMK-IBGZPJMESA-N 0 0 448.483 2.865 50 0 IFAARN Cn1c2ccccc2nc1[C@H](Cc1ccccc1)NC(=O)CCCNC(=O)c1cnccn1 ZINC000252488958 569288077 /nfs/dbraw/zinc/28/80/77/569288077.db2.gz JCUAXNKSWFGDGJ-FQEVSTJZSA-N 0 0 442.523 2.974 50 0 IFAARN CC(C)C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nnc2ccccn21 ZINC000253412288 569288986 /nfs/dbraw/zinc/28/89/86/569288986.db2.gz QMRVFTLYUYCNQY-ROUUACIJSA-N 0 0 434.500 2.838 50 0 IFAARN Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)NC(C)(C)CO ZINC000002376261 569289438 /nfs/dbraw/zinc/28/94/38/569289438.db2.gz OYVMCOQLXNANNB-UHFFFAOYSA-N 0 0 425.514 2.611 50 0 IFAARN Cc1ccccc1S(=O)(=O)N1CCCN([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000225326198 569289612 /nfs/dbraw/zinc/28/96/12/569289612.db2.gz JIJRGUBZMUHJRB-NRFANRHFSA-N 0 0 445.560 2.632 50 0 IFAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(Cl)ccc1OC ZINC000225354019 569292833 /nfs/dbraw/zinc/29/28/33/569292833.db2.gz VOQOJYNVSFIOQW-HIFRSBDPSA-N 0 0 443.880 2.871 50 0 IFAARN CN(C)c1nc(-n2cnc(SCCOc3ccccc3)n2)nc(N2CCCCC2)n1 ZINC000027738961 569295697 /nfs/dbraw/zinc/29/56/97/569295697.db2.gz REKLCDGFXXKLDG-UHFFFAOYSA-N 0 0 426.550 2.680 50 0 IFAARN CC[C@@H](CO)NS(=O)(=O)c1ccc(C)c(-c2nnc3c4ccccc4c(C)nn23)c1 ZINC000002396330 569298439 /nfs/dbraw/zinc/29/84/39/569298439.db2.gz YASINDYEIDWRSC-HNNXBMFYSA-N 0 0 425.514 2.611 50 0 IFAARN CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)N1CCc2ccccc2C1 ZINC000225417958 569299333 /nfs/dbraw/zinc/29/93/33/569299333.db2.gz VAVSTFZVSNIFAY-ZHRMCQFGSA-N 0 0 448.567 2.587 50 0 IFAARN Cn1cccc1CNC(=O)c1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225425667 569299847 /nfs/dbraw/zinc/29/98/47/569299847.db2.gz JAJVUYFGAKLJHW-MSOLQXFVSA-N 0 0 445.523 2.768 50 0 IFAARN COc1ccc(Cc2nn3c(nc2=O)s/c(=C\c2ccc(C(C)C)cc2)c3=O)cc1OC ZINC000002409481 569300483 /nfs/dbraw/zinc/30/04/83/569300483.db2.gz ZJDZNLMTVNKXAB-BKUYFWCQSA-N 0 0 449.532 2.790 50 0 IFAARN NC(=O)COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002412301 569301079 /nfs/dbraw/zinc/30/10/79/569301079.db2.gz KILNZYGDDZZDDL-OAQYLSRUSA-N 0 0 430.416 2.996 50 0 IFAARN COc1cc(/C=C/C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc(OC)c1 ZINC000011164208 569301895 /nfs/dbraw/zinc/30/18/95/569301895.db2.gz LJQTZNSOKHYCLX-CMDGGOBGSA-N 0 0 430.526 2.687 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(C)=O)cc2)cc1OC ZINC000011859860 569303071 /nfs/dbraw/zinc/30/30/71/569303071.db2.gz LUYSMPIWLNBQAS-GOSISDBHSA-N 0 0 432.498 2.698 50 0 IFAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OCC(N)=O)cc1)N(C[C@@H]1CCCO1)C3=O ZINC000002440036 569303990 /nfs/dbraw/zinc/30/39/90/569303990.db2.gz CZFMXNQNNJKXRZ-HTAPYJJXSA-N 0 0 448.475 2.690 50 0 IFAARN COCCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000012954205 569305226 /nfs/dbraw/zinc/30/52/26/569305226.db2.gz HYZQKOPZZJONRX-AWEZNQCLSA-N 0 0 425.359 2.851 50 0 IFAARN O=C(Nc1ccc(F)cc1F)[C@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1 ZINC000012961185 569305459 /nfs/dbraw/zinc/30/54/59/569305459.db2.gz RCWZUPBKSRJPLE-FQEVSTJZSA-N 0 0 433.480 2.726 50 0 IFAARN COc1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c(OC)c1 ZINC000012995541 569306112 /nfs/dbraw/zinc/30/61/12/569306112.db2.gz UTRDWOFDDDDVLE-VQHVLOKHSA-N 0 0 427.476 2.639 50 0 IFAARN O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013006340 569306291 /nfs/dbraw/zinc/30/62/91/569306291.db2.gz RKADRBGYKGCFSO-UHFFFAOYSA-N 0 0 440.525 2.669 50 0 IFAARN COc1ccccc1C(=O)COC(=O)c1cc(S(=O)(=O)N(C)OC)ccc1Cl ZINC000013027373 569307381 /nfs/dbraw/zinc/30/73/81/569307381.db2.gz RWNPUBKFYIFPAI-UHFFFAOYSA-N 0 0 427.862 2.570 50 0 IFAARN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1Br ZINC000013037958 569307602 /nfs/dbraw/zinc/30/76/02/569307602.db2.gz FGYPYMKTRLRAIB-NEPJUHHUSA-N 0 0 426.336 2.774 50 0 IFAARN C[C@@H](N[C@H](C)c1ccccc1Br)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013037957 569307628 /nfs/dbraw/zinc/30/76/28/569307628.db2.gz FGYPYMKTRLRAIB-VXGBXAGGSA-N 0 0 426.336 2.774 50 0 IFAARN CCCCN(C(=O)COC(=O)c1oc2ccccc2c1COC)[C@H]1CCS(=O)(=O)C1 ZINC000013055776 569308214 /nfs/dbraw/zinc/30/82/14/569308214.db2.gz ZKJBEYQNJZIXBI-HNNXBMFYSA-N 0 0 437.514 2.552 50 0 IFAARN Cn1c2nc(Cl)n(CCCC(=O)c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000013057743 569308432 /nfs/dbraw/zinc/30/84/32/569308432.db2.gz VXMMYRAZTPANCF-UHFFFAOYSA-N 0 0 439.697 2.513 50 0 IFAARN CCc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000013062362 569308624 /nfs/dbraw/zinc/30/86/24/569308624.db2.gz CRHBCZAPEQJZAZ-UHFFFAOYSA-N 0 0 444.553 2.556 50 0 IFAARN CCc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000013061072 569308630 /nfs/dbraw/zinc/30/86/30/569308630.db2.gz QUEQSSWJELNVOS-UHFFFAOYSA-N 0 0 431.558 2.511 50 0 IFAARN CCCN(CC(=O)Nc1sccc1C(N)=O)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000013096428 569309559 /nfs/dbraw/zinc/30/95/59/569309559.db2.gz QRWGLWGEQUSANU-UHFFFAOYSA-N 0 0 433.921 2.588 50 0 IFAARN COC(=O)c1cc(OC(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)cc(C(=O)OC)c1 ZINC000013096972 569309609 /nfs/dbraw/zinc/30/96/09/569309609.db2.gz QUIVBRBYMPZIHF-SNAWJCMRSA-N 0 0 428.393 2.658 50 0 IFAARN O=C(CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(F)cc1 ZINC000002455765 569311388 /nfs/dbraw/zinc/31/13/88/569311388.db2.gz DHWSQRCKIQTVHU-UHFFFAOYSA-N 0 0 428.489 2.621 50 0 IFAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O ZINC000013163965 569312404 /nfs/dbraw/zinc/31/24/04/569312404.db2.gz CVIMZBMTLRYEOC-IBGZPJMESA-N 0 0 435.358 2.943 50 0 IFAARN COc1ccc(/C=C/C(=O)OCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c(OC)c1 ZINC000018223255 569316050 /nfs/dbraw/zinc/31/60/50/569316050.db2.gz CGZQAVPWAVGAAE-ZRDIBKRKSA-N 0 0 440.496 2.974 50 0 IFAARN CCCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000078874816 569319560 /nfs/dbraw/zinc/31/95/60/569319560.db2.gz MLTYONIJLBDASB-RTBURBONSA-N 0 0 442.560 2.612 50 0 IFAARN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)CCn1cnc2ccccc2c1=O ZINC000078877564 569319837 /nfs/dbraw/zinc/31/98/37/569319837.db2.gz VUOOHZJIBBIEAB-FUHWJXTLSA-N 0 0 428.533 2.986 50 0 IFAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ncc(Cl)s2)CC1 ZINC000078879067 569320000 /nfs/dbraw/zinc/32/00/00/569320000.db2.gz KTYNTENJGYOJRR-UHFFFAOYSA-N 0 0 443.934 2.623 50 0 IFAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@](O)(Cc2ccccc2)c2ccccc2)C1 ZINC000078947315 569320351 /nfs/dbraw/zinc/32/03/51/569320351.db2.gz HHVPGPGIUXPQEO-URXFXBBRSA-N 0 0 444.597 2.685 50 0 IFAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@](O)(Cc2ccccc2)c2ccccc2)C1 ZINC000078947319 569320364 /nfs/dbraw/zinc/32/03/64/569320364.db2.gz HHVPGPGIUXPQEO-QPPBQGQZSA-N 0 0 444.597 2.685 50 0 IFAARN Cc1cc(NC(=O)CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)ccc1Br ZINC000078950547 569320436 /nfs/dbraw/zinc/32/04/36/569320436.db2.gz YGDGJGNQHNXCHT-QGZVFWFLSA-N 0 0 438.366 2.799 50 0 IFAARN COC(=O)c1ccsc1N1CC[C@H](N2CCC(NC(=O)c3ccccc3C)CC2)C1=O ZINC000078953929 569320496 /nfs/dbraw/zinc/32/04/96/569320496.db2.gz WUVPQEBRXBSXGW-IBGZPJMESA-N 0 0 441.553 2.843 50 0 IFAARN Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000078964293 569320601 /nfs/dbraw/zinc/32/06/01/569320601.db2.gz VLMBNUUGKQNDON-UHFFFAOYSA-N 0 0 444.963 2.606 50 0 IFAARN C[C@H](NC(=O)CN(c1ccccc1Br)S(=O)(=O)N(C)C)c1ccccc1 ZINC000079016360 569322118 /nfs/dbraw/zinc/32/21/18/569322118.db2.gz WMTVYCXBNXHBCP-AWEZNQCLSA-N 0 0 440.363 2.939 50 0 IFAARN CNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 ZINC000019599641 569322989 /nfs/dbraw/zinc/32/29/89/569322989.db2.gz YCANNTGVSACYPY-UHFFFAOYSA-N 0 0 429.523 2.839 50 0 IFAARN Cn1cc([C@H]2CN(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)CCO2)cn1 ZINC000079050492 569323433 /nfs/dbraw/zinc/32/34/33/569323433.db2.gz YZBNAKVTMGSBDM-OAQYLSRUSA-N 0 0 438.459 2.790 50 0 IFAARN COc1cccc(-c2nc(Cn3c(=O)c4c(C)cc(C)nc4n(C)c3=O)c(C)o2)c1OC ZINC000019625559 569323793 /nfs/dbraw/zinc/32/37/93/569323793.db2.gz IOMQCORCRVQOKT-UHFFFAOYSA-N 0 0 436.468 2.741 50 0 IFAARN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000079069337 569324394 /nfs/dbraw/zinc/32/43/94/569324394.db2.gz IECTXGNLHOSSOT-KUHUBIRLSA-N 0 0 434.489 2.992 50 0 IFAARN COc1ccc(C[C@@H](CO)CNC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1O ZINC000079076262 569324733 /nfs/dbraw/zinc/32/47/33/569324733.db2.gz WTHCCQFLARPOFU-SJLPKXTDSA-N 0 0 442.556 2.784 50 0 IFAARN COc1ccc(C[C@H](CO)CNC(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1O ZINC000079076268 569324768 /nfs/dbraw/zinc/32/47/68/569324768.db2.gz WTHCCQFLARPOFU-WMZOPIPTSA-N 0 0 442.556 2.784 50 0 IFAARN C[C@H](NC(=O)Cn1nnnc1CNC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000079101599 569325530 /nfs/dbraw/zinc/32/55/30/569325530.db2.gz SKAGQQABWAUZJB-JTQLQIEISA-N 0 0 429.308 2.882 50 0 IFAARN CNS(=O)(=O)c1ccc(NCCOC)c(NCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000079111099 569326197 /nfs/dbraw/zinc/32/61/97/569326197.db2.gz MXHACEVCMKRUKD-UHFFFAOYSA-N 0 0 440.953 2.665 50 0 IFAARN COC(=O)c1sc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)nc1C ZINC000079192817 569328121 /nfs/dbraw/zinc/32/81/21/569328121.db2.gz CUCPEPRTPKCZLE-UHFFFAOYSA-N 0 0 432.454 2.851 50 0 IFAARN CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C1=O ZINC000019797419 569329655 /nfs/dbraw/zinc/32/96/55/569329655.db2.gz JTPGCQXUFWCDQN-UHFFFAOYSA-N 0 0 425.510 2.843 50 0 IFAARN COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000079477380 569330741 /nfs/dbraw/zinc/33/07/41/569330741.db2.gz QESUCVCNEYNDKK-KRWDZBQOSA-N 0 0 426.517 2.558 50 0 IFAARN COc1cc2c3cnn(CN4CCN(c5ccccc5)CC4)c(=O)c3n(C)c2cc1OC ZINC000079479734 569330873 /nfs/dbraw/zinc/33/08/73/569330873.db2.gz USUVSMCMPITSBE-UHFFFAOYSA-N 0 0 433.512 2.685 50 0 IFAARN COc1ccc(CCc2nc(NC(=O)[C@H]3CCCN(c4nc(C)cc(C)n4)C3)n[nH]2)cc1 ZINC000079483595 569330997 /nfs/dbraw/zinc/33/09/97/569330997.db2.gz ZBSRXGUOUFDOCY-SFHVURJKSA-N 0 0 435.532 2.860 50 0 IFAARN NC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000019868140 569331175 /nfs/dbraw/zinc/33/11/75/569331175.db2.gz YXUIJOQSZVQPNM-UHFFFAOYSA-N 0 0 435.933 2.619 50 0 IFAARN CCS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(=O)Nc2cccnc2O3)CC1 ZINC000079492933 569331429 /nfs/dbraw/zinc/33/14/29/569331429.db2.gz OSRGKAGLVHEJLD-UHFFFAOYSA-N 0 0 430.486 2.824 50 0 IFAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCC2)cc1Br ZINC000020068964 569333135 /nfs/dbraw/zinc/33/31/35/569333135.db2.gz DQPDXOMPBLNGMH-CABCVRRESA-N 0 0 438.351 2.739 50 0 IFAARN CC(=O)NCCN1C(=S)N(c2cccc(Cl)c2)C(=O)[C@H]1CC(=O)Nc1ccccc1 ZINC000020114884 569334970 /nfs/dbraw/zinc/33/49/70/569334970.db2.gz UGTKUZVFWWVXBI-GOSISDBHSA-N 0 0 444.944 2.807 50 0 IFAARN COc1ccc2nc(NC(=O)CCNC(=O)Cn3ccc4ccccc4c3=O)sc2c1 ZINC000020117369 569335261 /nfs/dbraw/zinc/33/52/61/569335261.db2.gz MIHGJQGLKOLERF-UHFFFAOYSA-N 0 0 436.493 2.765 50 0 IFAARN O=C(NCCc1ccccc1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000020136560 569335854 /nfs/dbraw/zinc/33/58/54/569335854.db2.gz LRJYZBZOVIOMAB-UHFFFAOYSA-N 0 0 439.537 2.675 50 0 IFAARN COc1cccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NCc3ccco3)c2=O)c1 ZINC000020151700 569336454 /nfs/dbraw/zinc/33/64/54/569336454.db2.gz BBUKJEMFBPKFGD-UHFFFAOYSA-N 0 0 439.493 2.749 50 0 IFAARN CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc43)CC2)cc1 ZINC000020152618 569353427 /nfs/dbraw/zinc/35/34/27/569353427.db2.gz UVWWZCYCRCVJBS-UHFFFAOYSA-N 0 0 430.486 2.661 50 0 IFAARN O=C(CCn1cnc2ccccc21)NCCn1cc(-c2nc(-c3cccs3)no2)nn1 ZINC000390826864 569353871 /nfs/dbraw/zinc/35/38/71/569353871.db2.gz CJMWXWSZIBSKDZ-UHFFFAOYSA-N 0 0 434.485 2.613 50 0 IFAARN O=C(NCCn1cc(-c2nc(-c3ccccn3)no2)nn1)c1cccc(OC(F)(F)F)c1 ZINC000390826856 569353889 /nfs/dbraw/zinc/35/38/89/569353889.db2.gz CIQOPDUTSMNAON-UHFFFAOYSA-N 0 0 445.361 2.719 50 0 IFAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(n2nnc3ccsc3c2=O)CC1 ZINC000390829920 569354202 /nfs/dbraw/zinc/35/42/02/569354202.db2.gz HMDQPEOELYHMMP-UHFFFAOYSA-N 0 0 438.488 2.870 50 0 IFAARN Cn1nc(-c2cccs2)cc1C(=O)N1CCC(n2nnc3ccsc3c2=O)CC1 ZINC000390831593 569354426 /nfs/dbraw/zinc/35/44/26/569354426.db2.gz SSDUTQLDFACZHT-UHFFFAOYSA-N 0 0 426.527 2.792 50 0 IFAARN O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390831662 569354444 /nfs/dbraw/zinc/35/44/44/569354444.db2.gz TYXVYQVPLPRVHC-MGPUTAFESA-N 0 0 448.491 2.706 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000020234602 569357265 /nfs/dbraw/zinc/35/72/65/569357265.db2.gz VCNWYDVOCYUQAI-UHFFFAOYSA-N 0 0 435.933 2.946 50 0 IFAARN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NCCN1CCCC[C@H]1C ZINC000020241866 569358148 /nfs/dbraw/zinc/35/81/48/569358148.db2.gz KJOKPSXTLNKLPY-QGZVFWFLSA-N 0 0 433.574 2.864 50 0 IFAARN Cc1cccc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000020284481 569358988 /nfs/dbraw/zinc/35/89/88/569358988.db2.gz GPUIRFXSTJTBIB-QGZVFWFLSA-N 0 0 431.514 2.772 50 0 IFAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccncc2)N1CCN1CCOCC1 ZINC000020308820 569359559 /nfs/dbraw/zinc/35/95/59/569359559.db2.gz YDWGGDIUMCNYJD-LJQANCHMSA-N 0 0 425.872 2.719 50 0 IFAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c1 ZINC000020326838 569360501 /nfs/dbraw/zinc/36/05/01/569360501.db2.gz YVKVSZXDLIRFAI-INIZCTEOSA-N 0 0 443.525 2.788 50 0 IFAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c1 ZINC000020326937 569360505 /nfs/dbraw/zinc/36/05/05/569360505.db2.gz PTGCEOGDCBEXJU-INIZCTEOSA-N 0 0 443.525 2.788 50 0 IFAARN O=C(CCNC(=O)c1ccc(F)cc1F)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000095348746 569361600 /nfs/dbraw/zinc/36/16/00/569361600.db2.gz GGTQXDOOJGDGKW-UHFFFAOYSA-N 0 0 438.478 2.977 50 0 IFAARN COc1cc(C(=O)N(Cc2ccco2)Cc2ccc(O)cc2)cc(OC)c1OCC(N)=O ZINC000095348896 569361687 /nfs/dbraw/zinc/36/16/87/569361687.db2.gz LGBREOQUTPMQRI-UHFFFAOYSA-N 0 0 440.452 2.709 50 0 IFAARN Cc1ccc(N2C(=O)N(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)[C@@H]2C)cc1 ZINC000095350632 569362025 /nfs/dbraw/zinc/36/20/25/569362025.db2.gz AZTXZFLXNBMQRF-SFHVURJKSA-N 0 0 436.512 2.656 50 0 IFAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)N1CCN(C)CC1 ZINC000020384948 569362976 /nfs/dbraw/zinc/36/29/76/569362976.db2.gz LEQDARKTHVNTRU-UHFFFAOYSA-N 0 0 425.558 2.888 50 0 IFAARN CCc1nn(CC(=O)NCc2cccc(Br)c2)c(=O)c2cc3occc3n21 ZINC000020386172 569363129 /nfs/dbraw/zinc/36/31/29/569363129.db2.gz MDAFDIUQISEVNZ-UHFFFAOYSA-N 0 0 429.274 2.884 50 0 IFAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000095381655 569363233 /nfs/dbraw/zinc/36/32/33/569363233.db2.gz XZDDQXMEMXTRCN-UHFFFAOYSA-N 0 0 431.496 2.691 50 0 IFAARN O=C(CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)NCC1(c2ccccc2)CC1 ZINC000095381824 569363255 /nfs/dbraw/zinc/36/32/55/569363255.db2.gz MZNXVQUUWOEYGV-UHFFFAOYSA-N 0 0 437.975 2.953 50 0 IFAARN CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N[C@H](C)CC)cc1 ZINC000095381761 569363257 /nfs/dbraw/zinc/36/32/57/569363257.db2.gz WHJWXDNYPVDKLV-QGZVFWFLSA-N 0 0 432.542 2.969 50 0 IFAARN COc1cccc(NC(=O)COc2ccc(C(=O)N[C@@H](C)c3nnc4n3CCC4)cc2)c1 ZINC000095390010 569363423 /nfs/dbraw/zinc/36/34/23/569363423.db2.gz VOLULXFIEUDPDZ-HNNXBMFYSA-N 0 0 435.484 2.741 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000020405028 569363708 /nfs/dbraw/zinc/36/37/08/569363708.db2.gz ACLVBSQYYLSXCY-UHFFFAOYSA-N 0 0 428.436 2.570 50 0 IFAARN COCCN(CC(=O)OC)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000095397103 569363732 /nfs/dbraw/zinc/36/37/32/569363732.db2.gz GDWDXZRSRQEMTB-UHFFFAOYSA-N 0 0 437.846 2.618 50 0 IFAARN C[C@@H](Oc1c(I)cc(Cl)c2cccnc21)C(=O)N1CC[C@@H](O)C1 ZINC000095405853 569364630 /nfs/dbraw/zinc/36/46/30/569364630.db2.gz DNPQZPIFYFJXFG-NXEZZACHSA-N 0 0 446.672 2.853 50 0 IFAARN O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NC[C@H](CCO)c1ccccc1 ZINC000095410267 569365350 /nfs/dbraw/zinc/36/53/50/569365350.db2.gz YAXZGOYMKVPXDE-KRWDZBQOSA-N 0 0 440.359 2.646 50 0 IFAARN CC[C@@H]1c2cccn2CCN1C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000095427586 569365981 /nfs/dbraw/zinc/36/59/81/569365981.db2.gz DZRRNPFZGCYZOE-MRXNPFEDSA-N 0 0 440.363 2.865 50 0 IFAARN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C[S@@](=O)Cc2ccc(Br)cc2)C1 ZINC000095435218 569366426 /nfs/dbraw/zinc/36/64/26/569366426.db2.gz UOTIAQRGCTWGER-YHAMSUFESA-N 0 0 443.407 2.709 50 0 IFAARN COC(=O)C[C@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)c1ccc(OC)cc1OC ZINC000095454183 569368190 /nfs/dbraw/zinc/36/81/90/569368190.db2.gz YUNAZDNCUCMOGG-HNNXBMFYSA-N 0 0 430.486 2.595 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000095454734 569368351 /nfs/dbraw/zinc/36/83/51/569368351.db2.gz DYXPEOMCZWTKAA-GOSISDBHSA-N 0 0 431.566 2.542 50 0 IFAARN C[C@H]1CC(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000095455455 569368554 /nfs/dbraw/zinc/36/85/54/569368554.db2.gz GKVKUHAUDZPPEK-KBPBESRZSA-N 0 0 434.480 2.742 50 0 IFAARN O=C(NCC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1)c1ccc(Br)s1 ZINC000095457367 569368964 /nfs/dbraw/zinc/36/89/64/569368964.db2.gz AAJHHWXLJHUPGT-OLZOCXBDSA-N 0 0 427.295 2.714 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)s1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000095457365 569368974 /nfs/dbraw/zinc/36/89/74/569368974.db2.gz AAJHHWXLJHUPGT-STQMWFEESA-N 0 0 427.295 2.714 50 0 IFAARN O=C([C@@H]1CC12CCN(C(=O)[C@H]1CC(=O)N(c3ccccc3F)C1)CC2)N1CCCCC1 ZINC000095457947 569369075 /nfs/dbraw/zinc/36/90/75/569369075.db2.gz HWSGFJILDTUHAT-ROUUACIJSA-N 0 0 427.520 2.820 50 0 IFAARN Cc1cn2c(ncc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)c2=O)s1 ZINC000095458717 569369225 /nfs/dbraw/zinc/36/92/25/569369225.db2.gz QCGCAXWUWQWEFM-UHFFFAOYSA-N 0 0 432.933 2.555 50 0 IFAARN COc1ccc(COCCNC(=O)[C@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)cc1 ZINC000095458876 569369243 /nfs/dbraw/zinc/36/92/43/569369243.db2.gz AUAQDYFVDWNBNS-JOCHJYFZSA-N 0 0 444.528 2.800 50 0 IFAARN COC(=O)C[C@H](NC(=O)c1cnc2c(C)cccn2c1=O)c1ccc(Br)cc1 ZINC000095459399 569369496 /nfs/dbraw/zinc/36/94/96/569369496.db2.gz BLQKMAYISNYUQF-INIZCTEOSA-N 0 0 444.285 2.800 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000095467461 569371054 /nfs/dbraw/zinc/37/10/54/569371054.db2.gz UUILXXJBTPJLBS-HZPDHXFCSA-N 0 0 425.348 2.834 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@H](CCSC)Nc2nc(C)cc(C)n2)CC1 ZINC000095473373 569372281 /nfs/dbraw/zinc/37/22/81/569372281.db2.gz ZGLPPFPSIMUEBD-SFHVURJKSA-N 0 0 429.590 2.984 50 0 IFAARN CC(C)[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccccn1 ZINC000095476259 569373100 /nfs/dbraw/zinc/37/31/00/569373100.db2.gz ACDMYHXMDIVJOI-FQEVSTJZSA-N 0 0 429.952 2.908 50 0 IFAARN CC(C)Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc43)C2)[nH]1 ZINC000095476920 569373162 /nfs/dbraw/zinc/37/31/62/569373162.db2.gz SBWXNMOXOZFVOC-SNVBAGLBSA-N 0 0 446.309 2.634 50 0 IFAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)c(OC)c1OC ZINC000095477262 569373224 /nfs/dbraw/zinc/37/32/24/569373224.db2.gz GRGNXJIERVAKLS-GOSISDBHSA-N 0 0 435.502 2.978 50 0 IFAARN COc1ccc(CCc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)[nH]2)cc1 ZINC000095477774 569373332 /nfs/dbraw/zinc/37/33/32/569373332.db2.gz LIQQQGVONOYABE-INIZCTEOSA-N 0 0 435.484 2.599 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c43)C2)cc(OC)c1OC ZINC000095479536 569373781 /nfs/dbraw/zinc/37/37/81/569373781.db2.gz YNLPQFJMEWRCIP-LLVKDONJSA-N 0 0 428.420 2.719 50 0 IFAARN Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000095482523 569374373 /nfs/dbraw/zinc/37/43/73/569374373.db2.gz JEEBRBZWJMDYJS-IBGZPJMESA-N 0 0 429.586 2.682 50 0 IFAARN CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)NCc3ccccc3OC)cc2[n-]c1=S ZINC000020645455 569374796 /nfs/dbraw/zinc/37/47/96/569374796.db2.gz CVPRCXJJRDTJQR-UHFFFAOYSA-N 0 0 440.569 2.966 50 0 IFAARN CC(C)[C@@H](NC(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1)c1nccn1C ZINC000095939057 569375268 /nfs/dbraw/zinc/37/52/68/569375268.db2.gz JSMZQFLSTFDVPL-HXUWFJFHSA-N 0 0 430.530 2.925 50 0 IFAARN CS(=O)(=O)c1ccc(-c2cnc(CCC(=O)NCCc3cn4c(n3)CCCC4)o2)cc1 ZINC000095946522 569376090 /nfs/dbraw/zinc/37/60/90/569376090.db2.gz DWHYHNFUVJAVPM-UHFFFAOYSA-N 0 0 442.541 2.569 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000095958136 569376932 /nfs/dbraw/zinc/37/69/32/569376932.db2.gz VTKKWYCAKJQARE-INIZCTEOSA-N 0 0 436.965 2.685 50 0 IFAARN NC(=O)[C@@H]1CN(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)CCO1 ZINC000095957696 569376973 /nfs/dbraw/zinc/37/69/73/569376973.db2.gz USPCLRNPSGESII-DLBZAZTESA-N 0 0 436.281 2.573 50 0 IFAARN COCCCOc1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000095964253 569377273 /nfs/dbraw/zinc/37/72/73/569377273.db2.gz MAGOZFMTNUYNGI-UHFFFAOYSA-N 0 0 425.485 2.597 50 0 IFAARN CS(=O)(=O)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCN(c4ccccn4)C3)o2)cc1 ZINC000095973452 569377473 /nfs/dbraw/zinc/37/74/73/569377473.db2.gz HBMNTYFKDZTDJN-MRXNPFEDSA-N 0 0 441.509 2.666 50 0 IFAARN CS(=O)(=O)CCn1cccc(NC(=O)CCCOc2cccc3ccccc32)c1=O ZINC000095976528 569377620 /nfs/dbraw/zinc/37/76/20/569377620.db2.gz CUSQRQVXOHLLEN-UHFFFAOYSA-N 0 0 428.510 2.844 50 0 IFAARN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)cc21 ZINC000095977814 569377752 /nfs/dbraw/zinc/37/77/52/569377752.db2.gz SABICGYQFAWVMR-UHFFFAOYSA-N 0 0 428.919 2.774 50 0 IFAARN COCCCN(C(=O)Nc1c(C)cc(Br)cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000095983794 569378000 /nfs/dbraw/zinc/37/80/00/569378000.db2.gz KNVASLSPLZTSML-CQSZACIVSA-N 0 0 449.367 2.824 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@@H](COCC(=O)NC2CCN(C(=O)c3ccco3)CC2)C1 ZINC000095984272 569378091 /nfs/dbraw/zinc/37/80/91/569378091.db2.gz UCHRXMFLVZWDOZ-QGZVFWFLSA-N 0 0 449.548 2.664 50 0 IFAARN CN(c1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)S(C)(=O)=O ZINC000095993304 569378266 /nfs/dbraw/zinc/37/82/66/569378266.db2.gz DZHJTUVKKUMXGS-QGZVFWFLSA-N 0 0 439.541 2.887 50 0 IFAARN CC(C)(CNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)NS(C)(=O)=O ZINC000095993644 569378481 /nfs/dbraw/zinc/37/84/81/569378481.db2.gz CAWOMKDUNDXIEY-ZIAGYGMSSA-N 0 0 426.970 2.934 50 0 IFAARN COC(=O)c1ccc(CN(C)C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)cc1 ZINC000096001710 569379017 /nfs/dbraw/zinc/37/90/17/569379017.db2.gz QJCBRPIGKPCFAQ-HSZRJFAPSA-N 0 0 426.469 2.517 50 0 IFAARN CSC[C@@H]1CCN(C(=O)C2([N-]C(=O)C(F)(F)F)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095997803 569379025 /nfs/dbraw/zinc/37/90/25/569379025.db2.gz FVRMQHIWUXSLIU-QGZVFWFLSA-N 0 0 443.535 2.911 50 0 IFAARN CN(CC(=O)N(C)c1ncccc1Br)S(=O)(=O)c1ccc(Cl)cc1 ZINC000096010115 569379646 /nfs/dbraw/zinc/37/96/46/569379646.db2.gz GROFGBYVFLRRMO-UHFFFAOYSA-N 0 0 432.727 2.781 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000096012944 569380159 /nfs/dbraw/zinc/38/01/59/569380159.db2.gz CVXRFVGLNCFOQE-HNNXBMFYSA-N 0 0 440.566 2.566 50 0 IFAARN COc1ccc(CCCN2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc1F ZINC000096013599 569380377 /nfs/dbraw/zinc/38/03/77/569380377.db2.gz YYULPHPJXZMPGR-UHFFFAOYSA-N 0 0 434.533 2.628 50 0 IFAARN COc1ccc(-c2nn([C@H](C)C(=O)N3CCN(c4ccccc4)CC3)c(=O)cc2OC)cc1 ZINC000096101060 569381829 /nfs/dbraw/zinc/38/18/29/569381829.db2.gz MXKSAJSDNXQNLZ-GOSISDBHSA-N 0 0 448.523 2.837 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c1 ZINC000096103507 569382003 /nfs/dbraw/zinc/38/20/03/569382003.db2.gz NFQLFAYCDRPUBX-MRXNPFEDSA-N 0 0 445.946 2.594 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c1 ZINC000096103503 569382038 /nfs/dbraw/zinc/38/20/38/569382038.db2.gz RNLSWPIXZFWSEY-GOSISDBHSA-N 0 0 427.931 2.780 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)cc1 ZINC000096103647 569382049 /nfs/dbraw/zinc/38/20/49/569382049.db2.gz IXCRIFOITSKIBE-UHFFFAOYSA-N 0 0 445.419 2.887 50 0 IFAARN O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 ZINC000096105276 569382238 /nfs/dbraw/zinc/38/22/38/569382238.db2.gz JBNSHQZYZHHHQQ-LBPRGKRZSA-N 0 0 446.284 2.814 50 0 IFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000096114291 569382720 /nfs/dbraw/zinc/38/27/20/569382720.db2.gz SKDUEZUTJOXQBI-AWEZNQCLSA-N 0 0 436.449 2.618 50 0 IFAARN COCCn1ccc2c1cccc2NC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000096115217 569383210 /nfs/dbraw/zinc/38/32/10/569383210.db2.gz CRCSPIXTTJKRFT-FQEVSTJZSA-N 0 0 434.496 2.779 50 0 IFAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCCCCc1nc2ccccc2[nH]1 ZINC000096115863 569383480 /nfs/dbraw/zinc/38/34/80/569383480.db2.gz RSNDGOLBVFDOEM-FQEVSTJZSA-N 0 0 433.512 2.923 50 0 IFAARN CC(C)(C)NC(=O)N1CCC(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000096120319 569384949 /nfs/dbraw/zinc/38/49/49/569384949.db2.gz QQZCAFUVEQHYFJ-UHFFFAOYSA-N 0 0 431.505 2.633 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC000096121575 569385073 /nfs/dbraw/zinc/38/50/73/569385073.db2.gz FAMRWPLMDLXWBA-UHFFFAOYSA-N 0 0 431.436 2.546 50 0 IFAARN CC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000096210866 569386441 /nfs/dbraw/zinc/38/64/41/569386441.db2.gz DJWVMCGHYUHFIM-UHFFFAOYSA-N 0 0 438.503 2.773 50 0 IFAARN COc1ccccc1CCN1C[C@@H](C(=O)Nc2cccc(C(=O)c3nccn3C)c2)CC1=O ZINC000096224174 569387338 /nfs/dbraw/zinc/38/73/38/569387338.db2.gz KMNKEFTWPZUXHH-IBGZPJMESA-N 0 0 446.507 2.689 50 0 IFAARN O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)[C@H]1CC(=O)N(Cc2ccccc2F)C1 ZINC000096232262 569387735 /nfs/dbraw/zinc/38/77/35/569387735.db2.gz FFDDQGNEFJOWNN-KRWDZBQOSA-N 0 0 445.516 2.743 50 0 IFAARN O=C(CN1CCN(CCO)CC1)N[C@H]1Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000096235383 569387831 /nfs/dbraw/zinc/38/78/31/569387831.db2.gz MATFLEUPWCPOTP-IBGZPJMESA-N 0 0 431.989 2.815 50 0 IFAARN CCNC(=O)N(CCOC)Cc1cccc(OS(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000096289243 569390655 /nfs/dbraw/zinc/39/06/55/569390655.db2.gz JRRZLOQBCJHPEA-UHFFFAOYSA-N 0 0 440.493 2.780 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Cl)cc3)ccc2=O)cc1 ZINC000096307740 569392158 /nfs/dbraw/zinc/39/21/58/569392158.db2.gz YQZIDGUOZDHCOJ-UHFFFAOYSA-N 0 0 445.884 2.571 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O ZINC000096307783 569392300 /nfs/dbraw/zinc/39/23/00/569392300.db2.gz ZFEPYHYJANCCTC-UHFFFAOYSA-N 0 0 435.864 2.816 50 0 IFAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2CC(=O)NCc1ccccn1 ZINC000096318102 569393767 /nfs/dbraw/zinc/39/37/67/569393767.db2.gz HIBRYXMATIBHNU-UHFFFAOYSA-N 0 0 428.492 2.789 50 0 IFAARN COc1ccc(C(=O)Cn2nc3n(c4ccsc4c(=O)n3CCC(C)C)c2=O)cc1 ZINC000096321829 569394129 /nfs/dbraw/zinc/39/41/29/569394129.db2.gz PYQHUFJDSLQFCY-UHFFFAOYSA-N 0 0 426.498 2.810 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)N4c5ccccc5C[C@@H]4C)cc3oc2=O)no1 ZINC000096322127 569394353 /nfs/dbraw/zinc/39/43/53/569394353.db2.gz XADNDQYUPCOXFU-ZDUSSCGKSA-N 0 0 440.481 2.728 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)cc1OC ZINC000096324718 569395921 /nfs/dbraw/zinc/39/59/21/569395921.db2.gz BUTLQLONKKVDEJ-MRXNPFEDSA-N 0 0 435.484 2.980 50 0 IFAARN COc1cc(NC(=O)C2CCN(c3nc4nc[nH]c(=O)c4s3)CC2)cc(OC)c1OC ZINC000096331563 569396421 /nfs/dbraw/zinc/39/64/21/569396421.db2.gz RQBGRHNTUFFVDF-UHFFFAOYSA-N 0 0 445.501 2.673 50 0 IFAARN Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5CCC[C@H](C)C5)nc34)n2)c1 ZINC000096340646 569396794 /nfs/dbraw/zinc/39/67/94/569396794.db2.gz WLEZFFWMVDZNSK-INIZCTEOSA-N 0 0 432.484 2.780 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000096343948 569396921 /nfs/dbraw/zinc/39/69/21/569396921.db2.gz DSRGFYMGBQISNR-QGZVFWFLSA-N 0 0 437.931 2.914 50 0 IFAARN O=C(NCCCN1CCCC1=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O ZINC000096372456 569397873 /nfs/dbraw/zinc/39/78/73/569397873.db2.gz LGZZJYJRTVEGEJ-UHFFFAOYSA-N 0 0 437.544 2.567 50 0 IFAARN O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)c1ccc2c(c1)OCO2 ZINC000096386091 569398390 /nfs/dbraw/zinc/39/83/90/569398390.db2.gz VLPDXXYWAXVVGJ-UHFFFAOYSA-N 0 0 434.427 2.544 50 0 IFAARN CCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1=O ZINC000096396672 569399100 /nfs/dbraw/zinc/39/91/00/569399100.db2.gz MXMDYARKFJNIPN-UHFFFAOYSA-N 0 0 433.921 2.584 50 0 IFAARN COc1cc(C(=O)N(C)c2ccc(OC(=S)N3CCOCC3)cc2)cc(OC)c1OC ZINC000096579929 569401581 /nfs/dbraw/zinc/40/15/81/569401581.db2.gz VNSUOSLAKIHQMV-UHFFFAOYSA-N 0 0 446.525 2.985 50 0 IFAARN NC(=O)c1ccc(NC(=O)/C=C\c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000096646018 569402402 /nfs/dbraw/zinc/40/24/02/569402402.db2.gz KJURTZNAPLKWKB-XGICHPGQSA-N 0 0 425.466 2.509 50 0 IFAARN Cn1c([C@@H]2CCN(S(=O)(=O)c3ccc(Br)s3)C2)nc2cccnc21 ZINC000097077517 569402899 /nfs/dbraw/zinc/40/28/99/569402899.db2.gz AAHRTBCCDWOYLV-SNVBAGLBSA-N 0 0 427.349 2.971 50 0 IFAARN Cc1nc2nc(SCC(=O)N3CCOCC3)nn2c(C)c1Cc1ccccc1Cl ZINC000002461267 569403810 /nfs/dbraw/zinc/40/38/10/569403810.db2.gz MVSATQMVFIENRO-UHFFFAOYSA-N 0 0 431.949 2.936 50 0 IFAARN O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)CC2)n[nH]1 ZINC000225563208 569404527 /nfs/dbraw/zinc/40/45/27/569404527.db2.gz RMITYIMQHGTRCA-UHFFFAOYSA-N 0 0 436.394 2.705 50 0 IFAARN Cc1ccc(CN2CC(=O)N(c3ccc(Br)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000055408303 569404605 /nfs/dbraw/zinc/40/46/05/569404605.db2.gz UQPUCUDBNQHASQ-RBUKOAKNSA-N 0 0 449.370 2.772 50 0 IFAARN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CCc1cc(Br)ccc1OC(F)F ZINC000225633410 569406236 /nfs/dbraw/zinc/40/62/36/569406236.db2.gz ADGUZFXRDCFUNX-OLZOCXBDSA-N 0 0 436.249 2.772 50 0 IFAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2cccnc2-c2ccsc2)cc1 ZINC000225649627 569406364 /nfs/dbraw/zinc/40/63/64/569406364.db2.gz HCZYOKIUQDJJJO-UHFFFAOYSA-N 0 0 427.507 2.942 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225736060 569407766 /nfs/dbraw/zinc/40/77/66/569407766.db2.gz RZTQFAAMKUHXME-CYBMUJFWSA-N 0 0 430.404 2.714 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 ZINC000225735998 569407789 /nfs/dbraw/zinc/40/77/89/569407789.db2.gz BJZAXXQITPSFRP-OAHLLOKOSA-N 0 0 429.420 2.901 50 0 IFAARN COc1ccc2cc(C(=O)N3CCC(n4c(=O)[nH]c5ccc(F)cc5c4=O)CC3)[nH]c2c1 ZINC000225761454 569408310 /nfs/dbraw/zinc/40/83/10/569408310.db2.gz HPNUABXKQDBKQV-UHFFFAOYSA-N 0 0 436.443 2.796 50 0 IFAARN O=c1[nH]c2ccc(F)cc2c(=O)n1C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000225762241 569408321 /nfs/dbraw/zinc/40/83/21/569408321.db2.gz QRGCXYVZNRRPJC-UHFFFAOYSA-N 0 0 443.909 2.570 50 0 IFAARN COC(=O)c1cc(I)ccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000002570933 569409739 /nfs/dbraw/zinc/40/97/39/569409739.db2.gz LNGLIJKKXOWQQV-UHFFFAOYSA-N 0 0 436.198 2.985 50 0 IFAARN CCOC(=O)c1cc(-c2cccc(OC)c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000002622167 569411142 /nfs/dbraw/zinc/41/11/42/569411142.db2.gz UTZHJFUNWVRVGU-UHFFFAOYSA-N 0 0 431.448 2.985 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)cc1 ZINC000002642568 569413786 /nfs/dbraw/zinc/41/37/86/569413786.db2.gz YQQPKKSVJZOWLX-UHFFFAOYSA-N 0 0 449.533 2.602 50 0 IFAARN CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002643364 569413873 /nfs/dbraw/zinc/41/38/73/569413873.db2.gz ZPZKEAWTTATPGR-UHFFFAOYSA-N 0 0 441.962 2.638 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(C)=O)cc4)CC3)C2=O)cc1 ZINC000215726868 569414195 /nfs/dbraw/zinc/41/41/95/569414195.db2.gz JMKRFBBLBJZNBX-QFIPXVFZSA-N 0 0 449.507 2.520 50 0 IFAARN NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)ccc1Cl ZINC000002652894 569415026 /nfs/dbraw/zinc/41/50/26/569415026.db2.gz WXXFOVUULBTUFD-UHFFFAOYSA-N 0 0 436.795 2.802 50 0 IFAARN COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000002652945 569415130 /nfs/dbraw/zinc/41/51/30/569415130.db2.gz SGKPOGLECFPJJH-UHFFFAOYSA-N 0 0 441.267 2.922 50 0 IFAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCCCCc1nc(-c2cccs2)no1 ZINC000028698246 569417607 /nfs/dbraw/zinc/41/76/07/569417607.db2.gz VNVNECUBJSNTMT-UHFFFAOYSA-N 0 0 445.545 2.882 50 0 IFAARN CCOC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)nn1C ZINC000002748043 569420174 /nfs/dbraw/zinc/42/01/74/569420174.db2.gz HBCKBRLSSDTUQB-UHFFFAOYSA-N 0 0 442.497 2.958 50 0 IFAARN CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(F)c(F)cc(F)c3F)C2)c(C)n1 ZINC000002802670 569422379 /nfs/dbraw/zinc/42/23/79/569422379.db2.gz CFVOXFOGHBTSOU-LLVKDONJSA-N 0 0 448.442 2.807 50 0 IFAARN C[C@@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(-c3nc4c5cnn(C)c5ncn4n3)cc2N1 ZINC000002802917 569422566 /nfs/dbraw/zinc/42/25/66/569422566.db2.gz IWCFUHRISADRMF-GMSGAONNSA-N 0 0 427.341 2.817 50 0 IFAARN CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1CCC(N)=O ZINC000028947873 569423746 /nfs/dbraw/zinc/42/37/46/569423746.db2.gz KJXURXZSTDFOKH-LBPRGKRZSA-N 0 0 433.563 2.779 50 0 IFAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000002908685 569424640 /nfs/dbraw/zinc/42/46/40/569424640.db2.gz LNCHKUUGKXGKQC-MRXNPFEDSA-N 0 0 445.566 2.902 50 0 IFAARN COc1cccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)N2CCC(C)CC2)c1 ZINC000002927090 569425751 /nfs/dbraw/zinc/42/57/51/569425751.db2.gz LJDWTNJBHZTMJL-UHFFFAOYSA-N 0 0 426.546 2.896 50 0 IFAARN COc1cccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)NCCc2ccccc2)c1 ZINC000002927094 569425791 /nfs/dbraw/zinc/42/57/91/569425791.db2.gz NCPLDLOCTFGPGD-UHFFFAOYSA-N 0 0 448.552 2.996 50 0 IFAARN CCCNC(=O)Cn1cnc2sc(C(=O)Nc3ccc(OC)cc3OC)c(C)c2c1=O ZINC000002937394 569426233 /nfs/dbraw/zinc/42/62/33/569426233.db2.gz RNFCBEYNRKGWRN-UHFFFAOYSA-N 0 0 444.513 2.562 50 0 IFAARN O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000002939184 569426559 /nfs/dbraw/zinc/42/65/59/569426559.db2.gz ZPKXAOWNSYAEJF-IZZDOVSWSA-N 0 0 435.343 2.995 50 0 IFAARN COc1ccc(CCNC(=O)[C@H](C)n2c3ccccc3c3nc(=O)cc(C)n32)cc1OC ZINC000002947839 569427002 /nfs/dbraw/zinc/42/70/02/569427002.db2.gz KISZXXAPTKLLQH-INIZCTEOSA-N 0 0 434.496 2.895 50 0 IFAARN O=C(COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O)N1CCCCCC1 ZINC000056949780 569428284 /nfs/dbraw/zinc/42/82/84/569428284.db2.gz JCGRRZYZRUIXKD-UHFFFAOYSA-N 0 0 443.519 2.883 50 0 IFAARN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000057063872 569429426 /nfs/dbraw/zinc/42/94/26/569429426.db2.gz NUFQAXMADQENHW-UHFFFAOYSA-N 0 0 440.475 2.863 50 0 IFAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000057350844 569431300 /nfs/dbraw/zinc/43/13/00/569431300.db2.gz QJLWLNUSCMXPHN-UHFFFAOYSA-N 0 0 432.977 2.508 50 0 IFAARN O=C(CN1CCN(c2ccccc2Cl)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000057364806 569432228 /nfs/dbraw/zinc/43/22/28/569432228.db2.gz DILLIWWQQZAGIF-UHFFFAOYSA-N 0 0 432.977 2.508 50 0 IFAARN COc1ccc(NC(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1OC ZINC000002958936 569432499 /nfs/dbraw/zinc/43/24/99/569432499.db2.gz RHXRONGQDIXANE-CRAIPNDOSA-N 0 0 447.538 2.636 50 0 IFAARN Cc1nc2scc(-c3ccccc3)c2c(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000057380573 569432686 /nfs/dbraw/zinc/43/26/86/569432686.db2.gz VZIAOHUAVFDVIC-KRWDZBQOSA-N 0 0 428.583 2.976 50 0 IFAARN COC(=O)C1C(CN2CCN(c3cccc(C)c3C)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057414241 569433801 /nfs/dbraw/zinc/43/38/01/569433801.db2.gz NQXABCZTFGLNQI-QHCPKHFHSA-N 0 0 434.540 2.907 50 0 IFAARN COC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057414434 569433832 /nfs/dbraw/zinc/43/38/32/569433832.db2.gz AXLSGVDKUAXNDD-NRFANRHFSA-N 0 0 425.485 2.617 50 0 IFAARN COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057414455 569433864 /nfs/dbraw/zinc/43/38/64/569433864.db2.gz XOVPOIWCNVXZCE-QFIPXVFZSA-N 0 0 437.496 2.543 50 0 IFAARN COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057414453 569433874 /nfs/dbraw/zinc/43/38/74/569433874.db2.gz XOVPOIWCNVXZCE-JOCHJYFZSA-N 0 0 437.496 2.543 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057414942 569433967 /nfs/dbraw/zinc/43/39/67/569433967.db2.gz QCSLXBBKJHXYLQ-OAQYLSRUSA-N 0 0 440.931 2.943 50 0 IFAARN CCc1ccc([C@H]2NC(=O)N=C(CN3CCN(c4ccccc4)CC3)C2C(=O)OC)cc1 ZINC000057415197 569434096 /nfs/dbraw/zinc/43/40/96/569434096.db2.gz SBDDLUYKKJYDMY-HSZRJFAPSA-N 0 0 434.540 2.852 50 0 IFAARN COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC3CCCCC3)c2=O)cc1 ZINC000057426554 569434597 /nfs/dbraw/zinc/43/45/97/569434597.db2.gz GNCYOKZUEGXEDO-UHFFFAOYSA-N 0 0 427.526 2.731 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2c3ccsc3c(=O)n(CCC(C)C)c2=O)c1 ZINC000057426634 569434605 /nfs/dbraw/zinc/43/46/05/569434605.db2.gz OXRPHHHZEMRSHB-UHFFFAOYSA-N 0 0 431.514 2.927 50 0 IFAARN CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(=O)OCC)cc2)c1=O ZINC000057427130 569434793 /nfs/dbraw/zinc/43/47/93/569434793.db2.gz ZLCQUZGCOMZHPZ-UHFFFAOYSA-N 0 0 429.498 2.840 50 0 IFAARN CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccccc3)c2=O)cc1 ZINC000057428156 569434848 /nfs/dbraw/zinc/43/48/48/569434848.db2.gz YFFNTVOZSRTJNP-UHFFFAOYSA-N 0 0 449.532 2.988 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3C[C@H](C)C[C@H](C)C3)c2=O)c1 ZINC000057486003 569436389 /nfs/dbraw/zinc/43/63/89/569436389.db2.gz JKGNKWNHUVAWIY-IYBDPMFKSA-N 0 0 441.553 2.786 50 0 IFAARN COc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3OC)c2=O)c1 ZINC000057490666 569437208 /nfs/dbraw/zinc/43/72/08/569437208.db2.gz VKGMKYWVJJQXQN-UHFFFAOYSA-N 0 0 437.477 2.870 50 0 IFAARN CC[C@@H](C)NC(=O)Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O ZINC000057504469 569438169 /nfs/dbraw/zinc/43/81/69/569438169.db2.gz BGRPNCCCKGZNTF-GFCCVEGCSA-N 0 0 426.864 2.781 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2c(=O)c3sccc3nc2SC)CC1 ZINC000057504842 569438174 /nfs/dbraw/zinc/43/81/74/569438174.db2.gz MJMRQBUMYBGEMC-UHFFFAOYSA-N 0 0 430.555 2.537 50 0 IFAARN CCc1cccc(NC(=O)Cn2nc3cc(C)nc(N4CCc5ccccc5C4)n3c2=O)c1 ZINC000057505886 569438192 /nfs/dbraw/zinc/43/81/92/569438192.db2.gz IBBCRAMGXUKBRR-UHFFFAOYSA-N 0 0 442.523 2.963 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCC(C)C)c2=O)cc1OC ZINC000057526153 569439090 /nfs/dbraw/zinc/43/90/90/569439090.db2.gz VMYIPDJWWOBEHX-UHFFFAOYSA-N 0 0 439.512 2.543 50 0 IFAARN O=C(c1ccc(F)cc1)N(CC1CC1)C[C@H]1CN(C[C@H](O)COCc2ccco2)CCO1 ZINC000230150594 569439580 /nfs/dbraw/zinc/43/95/80/569439580.db2.gz FWXVHYLVNPISBZ-JTHBVZDNSA-N 0 0 446.519 2.549 50 0 IFAARN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Cc3csc(N4CCCC4=O)n3)C[C@H]21 ZINC000230242191 569440439 /nfs/dbraw/zinc/44/04/39/569440439.db2.gz YGVIWKXTFDOOSJ-DJIMGWMZSA-N 0 0 448.589 2.964 50 0 IFAARN O=C(c1ccc(-n2cnnn2)cc1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000030126604 569440847 /nfs/dbraw/zinc/44/08/47/569440847.db2.gz ZVZZEEZVNRLDHR-UHFFFAOYSA-N 0 0 432.406 2.519 50 0 IFAARN CC(=O)Nc1ccc2c(COC(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)cc(=O)oc2c1 ZINC000057748296 569441225 /nfs/dbraw/zinc/44/12/25/569441225.db2.gz BJDJSSLIBGHDKR-UHFFFAOYSA-N 0 0 445.431 2.765 50 0 IFAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCCN2CCCC2=O)c1 ZINC000003238909 569442515 /nfs/dbraw/zinc/44/25/15/569442515.db2.gz RMZJPIPKOPDBIL-KRWDZBQOSA-N 0 0 441.553 2.569 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003246672 569442753 /nfs/dbraw/zinc/44/27/53/569442753.db2.gz ONCKYQIADQTIHV-RDTXWAMCSA-N 0 0 441.505 2.916 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NCc1cccs1 ZINC000003248276 569442807 /nfs/dbraw/zinc/44/28/07/569442807.db2.gz UHXIWZTVQYYHBQ-UHFFFAOYSA-N 0 0 444.534 2.700 50 0 IFAARN Cc1ccc(C(=O)N[C@H](C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000003284041 569444001 /nfs/dbraw/zinc/44/40/01/569444001.db2.gz NGXOVAGQKOGZFQ-IERDGZPVSA-N 0 0 440.496 2.726 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)NCc1ccccc1 ZINC000003286407 569444125 /nfs/dbraw/zinc/44/41/25/569444125.db2.gz WWSJPUKRVXDROY-UHFFFAOYSA-N 0 0 442.471 2.999 50 0 IFAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000058003405 569444553 /nfs/dbraw/zinc/44/45/53/569444553.db2.gz ROLNKBILXVZFDC-UHFFFAOYSA-N 0 0 435.811 2.739 50 0 IFAARN O=C(CSCc1cc(=O)n2ccsc2n1)N1CCN(c2ccccc2Cl)CC1 ZINC000030616909 569444997 /nfs/dbraw/zinc/44/49/97/569444997.db2.gz GXWGVCWMPMDESV-UHFFFAOYSA-N 0 0 434.974 2.991 50 0 IFAARN CCOC(=O)c1ccn(-c2ccc(NS(=O)(=O)c3ccc(C(=O)OC)cc3)cc2)n1 ZINC000058017106 569445038 /nfs/dbraw/zinc/44/50/38/569445038.db2.gz LQCOQMMHLGASAW-UHFFFAOYSA-N 0 0 429.454 2.636 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000058016485 569445053 /nfs/dbraw/zinc/44/50/53/569445053.db2.gz BHYGXDVVMXTGQG-PKNBQFBNSA-N 0 0 428.510 2.920 50 0 IFAARN O=C(OCCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000003306045 569445223 /nfs/dbraw/zinc/44/52/23/569445223.db2.gz NENIYOQNRWJZNV-QGZVFWFLSA-N 0 0 426.494 2.972 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1 ZINC000003310592 569445450 /nfs/dbraw/zinc/44/54/50/569445450.db2.gz MDSIOMSBPBLLSK-UHFFFAOYSA-N 0 0 427.269 2.602 50 0 IFAARN Cc1cc(C)cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000003320054 569445917 /nfs/dbraw/zinc/44/59/17/569445917.db2.gz YVUXCXNUDKSKCT-UHFFFAOYSA-N 0 0 436.555 2.948 50 0 IFAARN CC(C)CN(C(=O)COC(=O)c1csc2c1CC[C@H](C)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000003328642 569446292 /nfs/dbraw/zinc/44/62/92/569446292.db2.gz RWGXKNDZSFKDEH-LSDHHAIUSA-N 0 0 427.588 2.701 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N2CCc3ccccc32)c1C ZINC000003351643 569447362 /nfs/dbraw/zinc/44/73/62/569447362.db2.gz QGJQWNRJHUOPPP-SFHVURJKSA-N 0 0 444.553 2.720 50 0 IFAARN Cc1nnc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)s1 ZINC000003351506 569447384 /nfs/dbraw/zinc/44/73/84/569447384.db2.gz AYXLZAIBBAZVOR-QGZVFWFLSA-N 0 0 432.502 2.740 50 0 IFAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1ccc2c(c1)OCCO2 ZINC000003352293 569447409 /nfs/dbraw/zinc/44/74/09/569447409.db2.gz CHJXWZMJZVOANQ-GOSISDBHSA-N 0 0 426.494 2.932 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1F ZINC000003358610 569447734 /nfs/dbraw/zinc/44/77/34/569447734.db2.gz YHBQJKRGUTXXDS-INIZCTEOSA-N 0 0 440.518 2.636 50 0 IFAARN CCCN(C(=O)CCc1ccc(OC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003361092 569447912 /nfs/dbraw/zinc/44/79/12/569447912.db2.gz OZEPMPQARBYDSO-UHFFFAOYSA-N 0 0 436.512 2.552 50 0 IFAARN CC(C)CN(C(=O)CN(C)Cc1cccc(Cl)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000003361221 569447932 /nfs/dbraw/zinc/44/79/32/569447932.db2.gz MYIVOFJSURVXIZ-UHFFFAOYSA-N 0 0 449.983 2.549 50 0 IFAARN O=C(COC(=O)CCCc1nc2ccccc2s1)NC(=O)[C@H]1COc2ccccc2O1 ZINC000003365968 569448154 /nfs/dbraw/zinc/44/81/54/569448154.db2.gz ZSGNAMAFPZBFRO-QGZVFWFLSA-N 0 0 440.477 2.645 50 0 IFAARN Nn1c(SCC(=O)NC(=O)NC2CCCCC2)nnc1-c1ccc(OC(F)F)cc1 ZINC000003365704 569448171 /nfs/dbraw/zinc/44/81/71/569448171.db2.gz CFPKBQBVUBFWMO-UHFFFAOYSA-N 0 0 440.476 2.511 50 0 IFAARN O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)C(=O)Nc1ccccc1 ZINC000058136661 569448419 /nfs/dbraw/zinc/44/84/19/569448419.db2.gz WYOKPOMZYJYZIE-HSZRJFAPSA-N 0 0 447.514 2.839 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NCc1ccc(Cl)cc1 ZINC000058136978 569448443 /nfs/dbraw/zinc/44/84/43/569448443.db2.gz OCMLQVWLYKVGAL-XNTDXEJSSA-N 0 0 433.961 2.575 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1C ZINC000003391436 569449273 /nfs/dbraw/zinc/44/92/73/569449273.db2.gz RMMGXSBJHGTGKC-LFVRLGFBSA-N 0 0 429.517 2.922 50 0 IFAARN Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003393040 569449338 /nfs/dbraw/zinc/44/93/38/569449338.db2.gz XAQHCIDUOKSWMM-UHFFFAOYSA-N 0 0 440.905 2.637 50 0 IFAARN COc1ccc(C)cc1NC(=O)CNC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000058168899 569449524 /nfs/dbraw/zinc/44/95/24/569449524.db2.gz JOTCXATUOPYTTO-UHFFFAOYSA-N 0 0 434.537 2.888 50 0 IFAARN O=C(COc1ccc(F)cc1Br)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000030878213 569450094 /nfs/dbraw/zinc/45/00/94/569450094.db2.gz AAGDFDRSXRDYOF-UHFFFAOYSA-N 0 0 425.254 2.981 50 0 IFAARN NC(=O)c1cc(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)cc(C(N)=O)c1 ZINC000003421740 569450488 /nfs/dbraw/zinc/45/04/88/569450488.db2.gz GIHJUORZSBZYHS-UHFFFAOYSA-N 0 0 444.658 2.640 50 0 IFAARN COC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cccc(C)c1 ZINC000003426178 569450526 /nfs/dbraw/zinc/45/05/26/569450526.db2.gz YSJWXLOTMZUNBH-UHFFFAOYSA-N 0 0 446.554 2.758 50 0 IFAARN Cc1nn2c(nc(COC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)cc2=O)s1 ZINC000003433549 569450956 /nfs/dbraw/zinc/45/09/56/569450956.db2.gz NVAJZZLOGVZAJF-LJQANCHMSA-N 0 0 448.504 2.544 50 0 IFAARN CCCn1nc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c2ccccc2c1=O ZINC000003438661 569451088 /nfs/dbraw/zinc/45/10/88/569451088.db2.gz NMVIIOLSEFEOFH-UHFFFAOYSA-N 0 0 445.378 2.924 50 0 IFAARN CCOc1ccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1OCC ZINC000003441784 569451271 /nfs/dbraw/zinc/45/12/71/569451271.db2.gz XCDNLVSJLHZGAU-UHFFFAOYSA-N 0 0 444.440 2.760 50 0 IFAARN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 ZINC000030939107 569451384 /nfs/dbraw/zinc/45/13/84/569451384.db2.gz LBJIOGYKBVGTKW-KRWDZBQOSA-N 0 0 438.889 2.601 50 0 IFAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)cc2C1=O ZINC000003475601 569452166 /nfs/dbraw/zinc/45/21/66/569452166.db2.gz BRHOUCCXNQDCHB-HZPDHXFCSA-N 0 0 436.464 2.588 50 0 IFAARN Cc1cccc(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000003481305 569452349 /nfs/dbraw/zinc/45/23/49/569452349.db2.gz CGRNSEPDQFZZSX-SFHVURJKSA-N 0 0 436.917 2.983 50 0 IFAARN Cc1ccccc1NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003481325 569452365 /nfs/dbraw/zinc/45/23/65/569452365.db2.gz ULSFQXUENGTGHQ-SFHVURJKSA-N 0 0 436.917 2.983 50 0 IFAARN Cc1cc(I)ccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000003505565 569452926 /nfs/dbraw/zinc/45/29/26/569452926.db2.gz MWVDCRSKUXQXMB-UHFFFAOYSA-N 0 0 441.269 2.793 50 0 IFAARN CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CCCOC ZINC000003524567 569453276 /nfs/dbraw/zinc/45/32/76/569453276.db2.gz FRTCPWWGPUGIPJ-LBPRGKRZSA-N 0 0 425.942 2.961 50 0 IFAARN COc1ccc(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1OC ZINC000003545143 569453667 /nfs/dbraw/zinc/45/36/67/569453667.db2.gz AANPSFKAFWZPPC-UHFFFAOYSA-N 0 0 427.862 2.556 50 0 IFAARN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000003549551 569453707 /nfs/dbraw/zinc/45/37/07/569453707.db2.gz BIXMLGFUNBMUNR-UHFFFAOYSA-N 0 0 444.431 2.987 50 0 IFAARN O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000003557160 569453952 /nfs/dbraw/zinc/45/39/52/569453952.db2.gz NBIRPDZJAZJHFI-UHFFFAOYSA-N 0 0 438.505 2.758 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1c[nH]c2ccccc21 ZINC000003571442 569454257 /nfs/dbraw/zinc/45/42/57/569454257.db2.gz HIWUOLUUYGXPBH-UHFFFAOYSA-N 0 0 442.493 2.537 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCC2(CC1)OCCO2 ZINC000031180765 569454546 /nfs/dbraw/zinc/45/45/46/569454546.db2.gz QPCPKSLBBMUTIN-UHFFFAOYSA-N 0 0 434.489 2.914 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003621700 569455166 /nfs/dbraw/zinc/45/51/66/569455166.db2.gz HKFIONILYGNVHH-INIZCTEOSA-N 0 0 428.510 2.606 50 0 IFAARN O=C(NCc1ccc(N2CCCC2)nc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000031315249 569455766 /nfs/dbraw/zinc/45/57/66/569455766.db2.gz ZRLYDSQYALSXRE-GOSISDBHSA-N 0 0 446.548 2.538 50 0 IFAARN COc1ccc2c(C)c(CCC(=O)NCc3cccnc3N3CCOCC3)c(=O)oc2c1 ZINC000031328759 569455897 /nfs/dbraw/zinc/45/58/97/569455897.db2.gz BUIVNHUANWIKTQ-UHFFFAOYSA-N 0 0 437.496 2.591 50 0 IFAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)c(OC)c1 ZINC000031811035 569457646 /nfs/dbraw/zinc/45/76/46/569457646.db2.gz VHJDNHKLZNPQHL-QGZVFWFLSA-N 0 0 437.485 2.639 50 0 IFAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1cccnc1N1CCOCC1)c1ccccc1 ZINC000032017463 569458878 /nfs/dbraw/zinc/45/88/78/569458878.db2.gz WSPWAHLRLISHJE-HSZRJFAPSA-N 0 0 444.535 2.576 50 0 IFAARN O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(Br)cc1F ZINC000032071889 569459222 /nfs/dbraw/zinc/45/92/22/569459222.db2.gz ICYSWCNDXYPZPL-GFCCVEGCSA-N 0 0 434.265 2.696 50 0 IFAARN COc1ccc(NC(=O)[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C(C)C)c(OC)c1 ZINC000032074606 569459333 /nfs/dbraw/zinc/45/93/33/569459333.db2.gz OPTKGLZSULSDDV-AOMKIAJQSA-N 0 0 439.512 2.836 50 0 IFAARN CC[C@@]1(C)Cc2nc3sc4c(ncn(CC(=O)NC[C@@H]5CCCO5)c4=O)c3cc2CO1 ZINC000032074528 569459335 /nfs/dbraw/zinc/45/93/35/569459335.db2.gz GKBVDDIHZIJTGV-FPTDNZKUSA-N 0 0 442.541 2.543 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)C2)cc1 ZINC000032097087 569459980 /nfs/dbraw/zinc/45/99/80/569459980.db2.gz HYAZWDQKHXZVFC-ZDUSSCGKSA-N 0 0 447.421 2.957 50 0 IFAARN O=C(Nc1nccs1)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000032101354 569460101 /nfs/dbraw/zinc/46/01/01/569460101.db2.gz IRXJZLUOMANHDG-IEBWSBKVSA-N 0 0 434.521 2.862 50 0 IFAARN O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000032104690 569460173 /nfs/dbraw/zinc/46/01/73/569460173.db2.gz TZTLWIWYYDSONS-INIZCTEOSA-N 0 0 434.269 2.807 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1cccc2[nH]ccc21)C1CC1 ZINC000032102729 569460202 /nfs/dbraw/zinc/46/02/02/569460202.db2.gz MLPKDMSUBOOSCL-UHFFFAOYSA-N 0 0 439.537 2.994 50 0 IFAARN O=C(c1cc(-c2ccccc2)on1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000032210823 569460802 /nfs/dbraw/zinc/46/08/02/569460802.db2.gz HAVXBAKSLDTTQA-UHFFFAOYSA-N 0 0 433.436 2.767 50 0 IFAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000059485808 569461592 /nfs/dbraw/zinc/46/15/92/569461592.db2.gz KLOXZHXCWFWBAU-KKPNIWNPSA-N 0 0 443.503 2.937 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCCCc1nc2ccccc2[nH]1 ZINC000032461812 569461792 /nfs/dbraw/zinc/46/17/92/569461792.db2.gz QBRUWQBAKUFHRK-UHFFFAOYSA-N 0 0 432.571 2.700 50 0 IFAARN COc1cccc(-c2nc(CN3CCN(CC(=O)N4CCCCC4)CC3)cs2)c1OC ZINC000032490257 569461871 /nfs/dbraw/zinc/46/18/71/569461871.db2.gz XKGHEJOGISJJPG-UHFFFAOYSA-N 0 0 444.601 2.957 50 0 IFAARN COc1ccc(CC[C@@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccccc3OC)C2=O)cc1 ZINC000008328249 569462572 /nfs/dbraw/zinc/46/25/72/569462572.db2.gz XHBUKHULSUYUMV-NPMXOYFQSA-N 0 0 425.485 2.974 50 0 IFAARN COc1ccc(Cn2c(=O)c3c(nc(-n4nc(C)c(C)c4C)n3C(C)C)n(C)c2=O)cc1 ZINC000038486294 569462717 /nfs/dbraw/zinc/46/27/17/569462717.db2.gz MIVVIPVEEOZYMM-UHFFFAOYSA-N 0 0 436.516 2.645 50 0 IFAARN O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cnn(-c2ccccc2)n1 ZINC000038486339 569462734 /nfs/dbraw/zinc/46/27/34/569462734.db2.gz ANCYTGGKNHFXCZ-UHFFFAOYSA-N 0 0 427.468 2.813 50 0 IFAARN Cc1ccccc1-c1ccc(N2CCN(C(=O)Cn3c4ccccc4oc3=O)CC2)nn1 ZINC000038488099 569462947 /nfs/dbraw/zinc/46/29/47/569462947.db2.gz LRTLQKFEZPWNPD-UHFFFAOYSA-N 0 0 429.480 2.709 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1nc(-c2cccnc2)cs1 ZINC000038531216 569463153 /nfs/dbraw/zinc/46/31/53/569463153.db2.gz GNSJTNPQOWSZCQ-OAHLLOKOSA-N 0 0 431.543 2.559 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1nc(-c2cccnc2)cs1 ZINC000038531217 569463176 /nfs/dbraw/zinc/46/31/76/569463176.db2.gz GNSJTNPQOWSZCQ-HNNXBMFYSA-N 0 0 431.543 2.559 50 0 IFAARN Cc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n(-c2nc3ccc(C)cc3s2)n1 ZINC000038551625 569464046 /nfs/dbraw/zinc/46/40/46/569464046.db2.gz AFCZSTZHWIZKJD-UHFFFAOYSA-N 0 0 433.559 2.709 50 0 IFAARN Cn1nnnc1SCC(=O)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1 ZINC000038585883 569464222 /nfs/dbraw/zinc/46/42/22/569464222.db2.gz DYZVCTYNTCWFBS-UHFFFAOYSA-N 0 0 449.525 2.774 50 0 IFAARN Cc1ccc2c(c1)N(C(=O)Cn1c3ccccc3c(=O)n(Cc3ccco3)c1=O)CCO2 ZINC000067197185 569464388 /nfs/dbraw/zinc/46/43/88/569464388.db2.gz RQXFIVPGQUKJAQ-UHFFFAOYSA-N 0 0 431.448 2.539 50 0 IFAARN COc1ccc(-c2nc(C)cc(=O)n2CC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000067198626 569464448 /nfs/dbraw/zinc/46/44/48/569464448.db2.gz GSZMZXLMEZZNRK-UHFFFAOYSA-N 0 0 436.487 2.715 50 0 IFAARN CCCCN(CC)C(=O)Cn1c2ccsc2c(=O)n(Cc2ccccc2OC)c1=O ZINC000067205435 569464564 /nfs/dbraw/zinc/46/45/64/569464564.db2.gz DXMKBQDNKPEQNC-UHFFFAOYSA-N 0 0 429.542 2.930 50 0 IFAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)NCc2ccc(C)cc2)c1=O ZINC000067205453 569464606 /nfs/dbraw/zinc/46/46/06/569464606.db2.gz YZVLZYYCRRMGDN-UHFFFAOYSA-N 0 0 449.532 2.906 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)cc4OC)ncn3n2)cc1 ZINC000067208722 569464764 /nfs/dbraw/zinc/46/47/64/569464764.db2.gz SKXFJUNHRVIXNY-UHFFFAOYSA-N 0 0 433.468 2.776 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)Nc2cccs2)CC3)cc1 ZINC000038634127 569465062 /nfs/dbraw/zinc/46/50/62/569465062.db2.gz LLLPDTMGCMMYLM-UHFFFAOYSA-N 0 0 437.543 2.802 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)c(OC)c1 ZINC000067226060 569465189 /nfs/dbraw/zinc/46/51/89/569465189.db2.gz QOMXNKONVJRKPU-ZDUSSCGKSA-N 0 0 443.529 2.745 50 0 IFAARN CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c2s1 ZINC000067225785 569465214 /nfs/dbraw/zinc/46/52/14/569465214.db2.gz BBYLDUHAHARBHR-UHFFFAOYSA-N 0 0 449.492 2.857 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1cnc2nc(N3CCC[C@H](C)C3)sc2c1=O ZINC000067226113 569465238 /nfs/dbraw/zinc/46/52/38/569465238.db2.gz FWAMZOGVCZSXPM-ZDUSSCGKSA-N 0 0 441.513 2.515 50 0 IFAARN O=C(Cn1c(=O)oc2ccccc21)NCCc1csc2nc(-c3cccs3)nn12 ZINC000038669680 569465990 /nfs/dbraw/zinc/46/59/90/569465990.db2.gz CCYFQBJCHZPVIX-UHFFFAOYSA-N 0 0 425.495 2.786 50 0 IFAARN O=C(CSc1nnc(N2CCN(C(=O)CC3CCCC3)CC2)s1)NCc1ccco1 ZINC000038666648 569465997 /nfs/dbraw/zinc/46/59/97/569465997.db2.gz LQPTZRVXICIOMH-UHFFFAOYSA-N 0 0 449.602 2.769 50 0 IFAARN COCc1cc(=O)n(CC(=O)Nc2ccc(Br)c(C)c2)c(N2CCCC2)n1 ZINC000067257038 569466110 /nfs/dbraw/zinc/46/61/10/569466110.db2.gz FKNVELFBBYGEEB-UHFFFAOYSA-N 0 0 435.322 2.700 50 0 IFAARN Cc1cc(C)n(CC(=O)NCCc2cccs2)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000067255304 569466071 /nfs/dbraw/zinc/46/60/71/569466071.db2.gz FYNVQCCJTBBELN-UHFFFAOYSA-N 0 0 430.551 2.718 50 0 IFAARN O=C1CCCN1c1ccc(Cn2cnc3c(nnn3Cc3ccccc3Cl)c2=O)cc1 ZINC000067259949 569466323 /nfs/dbraw/zinc/46/63/23/569466323.db2.gz IPPUZTDVTIYAPO-UHFFFAOYSA-N 0 0 434.887 2.865 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@H]3CCCC[C@@H]3N3C(=O)CSC3=O)[nH]n2)c1 ZINC000038679688 569466616 /nfs/dbraw/zinc/46/66/16/569466616.db2.gz ZLLWAYISKRMZOW-YOEHRIQHSA-N 0 0 444.513 2.830 50 0 IFAARN COc1ccc(-n2c(=O)nc3nc(NCCc4ccc(OC)c(OC)c4)[nH]cc-3c2=O)cc1 ZINC000067263541 569466675 /nfs/dbraw/zinc/46/66/75/569466675.db2.gz NJXWTFKOGCJJHV-UHFFFAOYSA-N 0 0 449.467 2.562 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000067287318 569467338 /nfs/dbraw/zinc/46/73/38/569467338.db2.gz QZPYZONNJPGQKS-LJQANCHMSA-N 0 0 449.935 2.786 50 0 IFAARN O=C(CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2)NCc1ccco1 ZINC000067291465 569467643 /nfs/dbraw/zinc/46/76/43/569467643.db2.gz BVXUTVAFFKAPEA-UHFFFAOYSA-N 0 0 428.489 2.881 50 0 IFAARN COc1ccccc1CN1CCc2nc(SCC(=O)NCc3ccco3)[nH]c(=O)c2C1 ZINC000067291242 569467694 /nfs/dbraw/zinc/46/76/94/569467694.db2.gz FPIPRDVQZMXHQE-UHFFFAOYSA-N 0 0 440.525 2.751 50 0 IFAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)NCCC(C)C)c(=O)c1CCO ZINC000067301216 569468248 /nfs/dbraw/zinc/46/82/48/569468248.db2.gz AOBOOJYTTJHJRE-UHFFFAOYSA-N 0 0 425.451 2.935 50 0 IFAARN Cc1cc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(C(F)(F)F)cc2)no1 ZINC000067301206 569468273 /nfs/dbraw/zinc/46/82/73/569468273.db2.gz STQDHSGBOWEOLV-UHFFFAOYSA-N 0 0 436.390 2.707 50 0 IFAARN CCOc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(F)c2)cc1 ZINC000067316639 569468437 /nfs/dbraw/zinc/46/84/37/569468437.db2.gz VTYQCVJVBOYAGP-UHFFFAOYSA-N 0 0 425.460 2.930 50 0 IFAARN O=C(CN1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2)NC1CCCC1 ZINC000067317622 569468452 /nfs/dbraw/zinc/46/84/52/569468452.db2.gz ZGEYJFFMPNVVBA-UHFFFAOYSA-N 0 0 426.439 2.718 50 0 IFAARN COc1cccc([C@@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(F)c2)c1 ZINC000067316958 569468471 /nfs/dbraw/zinc/46/84/71/569468471.db2.gz NNQPICMHNTYMLE-OAHLLOKOSA-N 0 0 439.487 2.779 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)Cc2csc(NC(=O)Cc3ccccc3)n2)CC1 ZINC000038739883 569468612 /nfs/dbraw/zinc/46/86/12/569468612.db2.gz TWENKUZPJMCXFT-UHFFFAOYSA-N 0 0 430.530 2.604 50 0 IFAARN Cc1c(C(=O)Nc2ccccc2Cl)nnn1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000067322517 569468693 /nfs/dbraw/zinc/46/86/93/569468693.db2.gz NSOLXSVWTQNCGH-UHFFFAOYSA-N 0 0 427.848 2.902 50 0 IFAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000067322738 569468747 /nfs/dbraw/zinc/46/87/47/569468747.db2.gz KNIFNYLBXRQJQD-UHFFFAOYSA-N 0 0 437.456 2.663 50 0 IFAARN Cc1cccc(S(=O)(=O)c2cnc(N3CCN(c4ccccc4F)CC3)nc2N)c1 ZINC000067336407 569468871 /nfs/dbraw/zinc/46/88/71/569468871.db2.gz QSJIZXKTHJWEGY-UHFFFAOYSA-N 0 0 427.505 2.666 50 0 IFAARN CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc(C(=O)OCC)cc3)c(=O)c2c1C ZINC000008583737 569469197 /nfs/dbraw/zinc/46/91/97/569469197.db2.gz SIXNPCFPPONJBP-UHFFFAOYSA-N 0 0 443.481 2.759 50 0 IFAARN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cccc(Br)c1)O2 ZINC000038833968 569469214 /nfs/dbraw/zinc/46/92/14/569469214.db2.gz UDCBXPBLJDGRSQ-MRXNPFEDSA-N 0 0 425.304 2.923 50 0 IFAARN COC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038834565 569469238 /nfs/dbraw/zinc/46/92/38/569469238.db2.gz KQDWDDYBALZEOJ-QGZVFWFLSA-N 0 0 438.889 2.682 50 0 IFAARN CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)cc1 ZINC000008645496 569469625 /nfs/dbraw/zinc/46/96/25/569469625.db2.gz DLNADXIJCPZBKC-RUZDIDTESA-N 0 0 444.491 2.947 50 0 IFAARN CC1=NN(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2[C@H]1C ZINC000008706122 569470457 /nfs/dbraw/zinc/47/04/57/569470457.db2.gz VKQFWQVTWYTRMY-KRWDZBQOSA-N 0 0 428.496 2.902 50 0 IFAARN CN(Cc1ccsc1)C(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000008707173 569470530 /nfs/dbraw/zinc/47/05/30/569470530.db2.gz MIHBQHKPHLEBHV-UHFFFAOYSA-N 0 0 429.571 2.916 50 0 IFAARN O=S(=O)(c1ccc(Sc2nnc(-c3ccc4c(c3)OCO4)o2)nc1)N1CCCC1 ZINC000008710749 569470948 /nfs/dbraw/zinc/47/09/48/569470948.db2.gz HTRFVBMFQRBNKN-UHFFFAOYSA-N 0 0 432.483 2.796 50 0 IFAARN O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000008718202 569471250 /nfs/dbraw/zinc/47/12/50/569471250.db2.gz VDXNSIQYDOCWLC-UHFFFAOYSA-N 0 0 430.917 2.672 50 0 IFAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000008720652 569471661 /nfs/dbraw/zinc/47/16/61/569471661.db2.gz UXTSLPCJNUYOII-ZDUSSCGKSA-N 0 0 435.527 2.714 50 0 IFAARN O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc2c(cc1Br)OCCO2 ZINC000008723501 569471894 /nfs/dbraw/zinc/47/18/94/569471894.db2.gz QQJUGSNHPNOXIR-FQEVSTJZSA-N 0 0 445.269 2.950 50 0 IFAARN Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000008724164 569471969 /nfs/dbraw/zinc/47/19/69/569471969.db2.gz VYRJLHNDLUDPPL-UHFFFAOYSA-N 0 0 440.504 2.579 50 0 IFAARN C[C@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1nc(N)nc(N(C)C)n1 ZINC000008724610 569471983 /nfs/dbraw/zinc/47/19/83/569471983.db2.gz LPXUMDMGHPMZAC-LBPRGKRZSA-N 0 0 431.497 2.633 50 0 IFAARN CC[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl ZINC000008725378 569472158 /nfs/dbraw/zinc/47/21/58/569472158.db2.gz HDPJXMZXFVIEAP-INIZCTEOSA-N 0 0 429.952 2.900 50 0 IFAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000008727081 569472356 /nfs/dbraw/zinc/47/23/56/569472356.db2.gz KCFVXWLQUHEPLS-UHFFFAOYSA-N 0 0 445.472 2.608 50 0 IFAARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000008735303 569472642 /nfs/dbraw/zinc/47/26/42/569472642.db2.gz HHQBCOHPONNFKA-UHFFFAOYSA-N 0 0 440.506 2.670 50 0 IFAARN Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000008755101 569473921 /nfs/dbraw/zinc/47/39/21/569473921.db2.gz WZKJVRPCECDVRN-LBPRGKRZSA-N 0 0 431.967 2.811 50 0 IFAARN CCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1 ZINC000008755085 569473925 /nfs/dbraw/zinc/47/39/25/569473925.db2.gz OVXPMQPFOLPDLZ-UHFFFAOYSA-N 0 0 441.575 2.556 50 0 IFAARN Cc1nn(S(=O)(=O)c2ccc(C)c(C)c2)c(C)c1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000008755227 569473952 /nfs/dbraw/zinc/47/39/52/569473952.db2.gz RZQRCJSXFRMWGS-CYBMUJFWSA-N 0 0 425.576 2.774 50 0 IFAARN COc1ccc(CCNC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000008765045 569474687 /nfs/dbraw/zinc/47/46/87/569474687.db2.gz VCWWWLCRSVSTCC-QFIPXVFZSA-N 0 0 448.523 2.779 50 0 IFAARN CC(=O)N[C@@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc2ccccc2c1 ZINC000008765292 569474747 /nfs/dbraw/zinc/47/47/47/569474747.db2.gz XCMZMJFBJIDKSB-DJBJKVAOSA-N 0 0 435.476 2.923 50 0 IFAARN COc1ccc(-c2coc3cc(OCC(=O)N4CCC[C@H]4CO)ccc3c2=O)cc1OC ZINC000008765286 569474753 /nfs/dbraw/zinc/47/47/53/569474753.db2.gz CPBYCHWWKSJFBG-INIZCTEOSA-N 0 0 439.464 2.839 50 0 IFAARN O=C(COc1cccc2ccc(N3CCOCC3)nc21)N1CCN(c2ccccc2)CC1 ZINC000008769541 569475048 /nfs/dbraw/zinc/47/50/48/569475048.db2.gz DBMMSQCNNYUYCQ-UHFFFAOYSA-N 0 0 432.524 2.799 50 0 IFAARN O=C1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C(=O)N1Cc1ccccc1 ZINC000008769366 569475087 /nfs/dbraw/zinc/47/50/87/569475087.db2.gz SSYYXFPYZMEUIQ-UHFFFAOYSA-N 0 0 433.917 2.615 50 0 IFAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000008777458 569475380 /nfs/dbraw/zinc/47/53/80/569475380.db2.gz MLAMKWBMHMJCAG-UHFFFAOYSA-N 0 0 428.495 2.649 50 0 IFAARN O=C(NCCCn1cnc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000008777563 569475451 /nfs/dbraw/zinc/47/54/51/569475451.db2.gz JZGKIMPXNBZKPI-FQEVSTJZSA-N 0 0 430.505 2.535 50 0 IFAARN COc1ccc(CCNC(=O)NCCS(=O)(=O)c2c(C)n(C)c3ccccc32)cc1 ZINC000008808507 569476464 /nfs/dbraw/zinc/47/64/64/569476464.db2.gz AMHKROBXXKHEPW-UHFFFAOYSA-N 0 0 429.542 2.811 50 0 IFAARN CCn1nc(C(=O)O[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)c2ccccc2c1=O ZINC000008806686 569476486 /nfs/dbraw/zinc/47/64/86/569476486.db2.gz QBASMCPSKBCGIP-ZDUSSCGKSA-N 0 0 425.441 2.618 50 0 IFAARN CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)CC1 ZINC000008811712 569476587 /nfs/dbraw/zinc/47/65/87/569476587.db2.gz TVCUMJQLOVUVQV-GOSISDBHSA-N 0 0 427.998 2.687 50 0 IFAARN O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1coc(CN2CCc3ccccc3C2)n1 ZINC000014977936 569477150 /nfs/dbraw/zinc/47/71/50/569477150.db2.gz WOAPHRVLYAHNMY-GOSISDBHSA-N 0 0 432.528 2.669 50 0 IFAARN COc1cc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc(OC)c1OC ZINC000008845259 569478770 /nfs/dbraw/zinc/47/87/70/569478770.db2.gz LVDBJIFFSMVBQG-NRFANRHFSA-N 0 0 439.468 2.654 50 0 IFAARN CCOc1ccc(N2CCn3c2nn(Cc2ccc(Br)cc2)c(=O)c3=O)cc1 ZINC000008849575 569479245 /nfs/dbraw/zinc/47/92/45/569479245.db2.gz WUKLVJRJIURGKO-UHFFFAOYSA-N 0 0 443.301 2.766 50 0 IFAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NC1CCCCC1 ZINC000008849840 569479273 /nfs/dbraw/zinc/47/92/73/569479273.db2.gz GQDMOCNFPPWURR-OAHLLOKOSA-N 0 0 440.537 2.607 50 0 IFAARN CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1c1ccccc1OC ZINC000008853222 569479548 /nfs/dbraw/zinc/47/95/48/569479548.db2.gz YNIZTRQYJKWCOQ-OFNKIYASSA-N 0 0 441.572 2.856 50 0 IFAARN Cc1csc(CC(=O)N2CCN(C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)CC2)n1 ZINC000008855714 569479755 /nfs/dbraw/zinc/47/97/55/569479755.db2.gz RTWQSKRQQNRVOK-UHFFFAOYSA-N 0 0 446.960 2.759 50 0 IFAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCc1ccc2c(c1)OCO2 ZINC000008861742 569480022 /nfs/dbraw/zinc/48/00/22/569480022.db2.gz HAYBYOMOTBAZSL-UHFFFAOYSA-N 0 0 435.465 2.658 50 0 IFAARN O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000008862486 569480203 /nfs/dbraw/zinc/48/02/03/569480203.db2.gz NHDXQTQIOXIBEW-CYBMUJFWSA-N 0 0 437.543 2.893 50 0 IFAARN Cc1ccccc1COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000008879645 569481345 /nfs/dbraw/zinc/48/13/45/569481345.db2.gz RKENOAPCDWMHFC-UHFFFAOYSA-N 0 0 431.510 2.910 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1C ZINC000039501719 569481635 /nfs/dbraw/zinc/48/16/35/569481635.db2.gz CXEQWBXBTIZOKC-UHFFFAOYSA-N 0 0 430.526 2.561 50 0 IFAARN COc1ccc(C(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1OC ZINC000039585074 569481792 /nfs/dbraw/zinc/48/17/92/569481792.db2.gz HVLOSDGETWYDOG-UHFFFAOYSA-N 0 0 444.484 2.549 50 0 IFAARN COc1cccc(CNC(=O)COC(=O)c2ccccc2I)c1 ZINC000039582097 569481795 /nfs/dbraw/zinc/48/17/95/569481795.db2.gz HJMKLEYIZYQGAJ-UHFFFAOYSA-N 0 0 425.222 2.773 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1=O ZINC000039565463 569481796 /nfs/dbraw/zinc/48/17/96/569481796.db2.gz YLCRFFHHVMTLLJ-UHFFFAOYSA-N 0 0 447.822 2.534 50 0 IFAARN Cc1cc(C(=O)COC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)c(C)c(C)c1C ZINC000039569223 569481797 /nfs/dbraw/zinc/48/17/97/569481797.db2.gz GPDWINRQGGXZNC-MRXNPFEDSA-N 0 0 428.510 2.773 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000068769781 569481966 /nfs/dbraw/zinc/48/19/66/569481966.db2.gz DYCZTYRMKWGIGL-LLVKDONJSA-N 0 0 445.419 2.849 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N(C)Cc1cccs1 ZINC000039990651 569482299 /nfs/dbraw/zinc/48/22/99/569482299.db2.gz DRKBKUPBBWANHJ-JOCHJYFZSA-N 0 0 437.569 2.682 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000039983777 569482325 /nfs/dbraw/zinc/48/23/25/569482325.db2.gz JNHVUDDTVNNTMX-UONOGXRCSA-N 0 0 448.472 2.659 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000039996264 569482407 /nfs/dbraw/zinc/48/24/07/569482407.db2.gz YZIHPHTVRPWWAP-STQMWFEESA-N 0 0 444.431 2.943 50 0 IFAARN Cc1cc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)c(C)n1Cc1ccccc1 ZINC000008882605 569483000 /nfs/dbraw/zinc/48/30/00/569483000.db2.gz YHBYLLOMSDSGAB-UHFFFAOYSA-N 0 0 440.521 2.858 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000008883255 569483015 /nfs/dbraw/zinc/48/30/15/569483015.db2.gz KMBYIGCNRINMLR-IBGZPJMESA-N 0 0 427.570 2.669 50 0 IFAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CCCc4ccccc43)C2=O)cc1OC ZINC000008883470 569483048 /nfs/dbraw/zinc/48/30/48/569483048.db2.gz WGFFWNRRQUHOEU-UUOWRZLLSA-N 0 0 437.496 2.665 50 0 IFAARN O=C(CN1CCOCC1)N1CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000040033640 569483157 /nfs/dbraw/zinc/48/31/57/569483157.db2.gz PEKOKYABWSMTQE-RUZDIDTESA-N 0 0 446.551 2.568 50 0 IFAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)ccc2c1 ZINC000008891066 569483337 /nfs/dbraw/zinc/48/33/37/569483337.db2.gz WACLVABZCFWLAA-DEOSSOPVSA-N 0 0 447.447 2.983 50 0 IFAARN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCOCC3)nc2)cc1 ZINC000040049413 569483843 /nfs/dbraw/zinc/48/38/43/569483843.db2.gz ITDBLRNFRLTREI-INIZCTEOSA-N 0 0 441.484 2.667 50 0 IFAARN CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 ZINC000008917063 569485913 /nfs/dbraw/zinc/48/59/13/569485913.db2.gz OWQGUVWYYAEYSY-MGPUTAFESA-N 0 0 439.489 2.924 50 0 IFAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008917277 569485984 /nfs/dbraw/zinc/48/59/84/569485984.db2.gz PQIFEDJTIOHOTE-YWZLYKJASA-N 0 0 439.489 2.924 50 0 IFAARN Cc1nc2ccccc2c(=O)n1CCC(=O)OCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000040072563 569485987 /nfs/dbraw/zinc/48/59/87/569485987.db2.gz FASULNRSUHNFIJ-HNNXBMFYSA-N 0 0 425.460 2.997 50 0 IFAARN CCn1c2ccc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)cc2[nH]c(=O)c1=O ZINC000040081824 569486608 /nfs/dbraw/zinc/48/66/08/569486608.db2.gz KCSZBVJDKOETNM-IBGZPJMESA-N 0 0 443.507 2.762 50 0 IFAARN CCCn1c2ccccc2n(CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)c1=O ZINC000008923031 569486993 /nfs/dbraw/zinc/48/69/93/569486993.db2.gz CAKJAPUESLXZGO-QGZVFWFLSA-N 0 0 429.542 2.874 50 0 IFAARN CCCn1c2ccccc2n(CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)c1=O ZINC000008923037 569486996 /nfs/dbraw/zinc/48/69/96/569486996.db2.gz CAKJAPUESLXZGO-KRWDZBQOSA-N 0 0 429.542 2.874 50 0 IFAARN CCNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC000008924000 569487106 /nfs/dbraw/zinc/48/71/06/569487106.db2.gz QRLGQGUMIOZWTK-KXBFYZLASA-N 0 0 429.498 2.540 50 0 IFAARN CC(C)C[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000008924862 569487173 /nfs/dbraw/zinc/48/71/73/569487173.db2.gz AMDKBGAYUPCYEF-FOIQADDNSA-N 0 0 442.537 2.978 50 0 IFAARN Cn1c2nc(N3CCCCC3)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000008926253 569487244 /nfs/dbraw/zinc/48/72/44/569487244.db2.gz GXSCLEHSRSDWTQ-UHFFFAOYSA-N 0 0 429.524 2.984 50 0 IFAARN O=C(NC[C@H]1CCCO1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933719 569487835 /nfs/dbraw/zinc/48/78/35/569487835.db2.gz IZAGZQPCAQAAMB-OAQYLSRUSA-N 0 0 447.539 2.810 50 0 IFAARN CSc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)c1 ZINC000008936094 569488030 /nfs/dbraw/zinc/48/80/30/569488030.db2.gz JVFPEWOTTVWQIX-QFIPXVFZSA-N 0 0 441.509 2.976 50 0 IFAARN Cc1cc(C)cc(-c2nnc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)o2)c1 ZINC000008940010 569488270 /nfs/dbraw/zinc/48/82/70/569488270.db2.gz UIYSYIMQLVLSOS-UHFFFAOYSA-N 0 0 428.514 2.633 50 0 IFAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccc(-n2cncn2)nc1 ZINC000040107041 569488413 /nfs/dbraw/zinc/48/84/13/569488413.db2.gz HABCSSQPQBZHFG-OAHLLOKOSA-N 0 0 448.430 2.800 50 0 IFAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000069026414 569488572 /nfs/dbraw/zinc/48/85/72/569488572.db2.gz GLWDCTLHRRBWON-SFHVURJKSA-N 0 0 430.936 2.665 50 0 IFAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000069026420 569488577 /nfs/dbraw/zinc/48/85/77/569488577.db2.gz GLWDCTLHRRBWON-GOSISDBHSA-N 0 0 430.936 2.665 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCCN(C)CC(F)(F)F)cc1 ZINC000040109008 569488588 /nfs/dbraw/zinc/48/85/88/569488588.db2.gz GYLSECTZWYMLOT-HNNXBMFYSA-N 0 0 435.512 2.864 50 0 IFAARN O=C(Cc1cc2ccccc2[nH]c1=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000040113294 569489003 /nfs/dbraw/zinc/48/90/03/569489003.db2.gz URSJGGWEIGWGJE-UHFFFAOYSA-N 0 0 427.863 2.848 50 0 IFAARN COc1ccc(C(=O)NCCn2ncc3c2nc(SC)nc3N2CCCC2)cc1OC ZINC000008946498 569489141 /nfs/dbraw/zinc/48/91/41/569489141.db2.gz TUFBXKYMEAMDLN-UHFFFAOYSA-N 0 0 442.545 2.596 50 0 IFAARN C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O ZINC000040116576 569489314 /nfs/dbraw/zinc/48/93/14/569489314.db2.gz CYYUFCGYFKPEHE-SFHVURJKSA-N 0 0 426.416 2.946 50 0 IFAARN C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000040117696 569489328 /nfs/dbraw/zinc/48/93/28/569489328.db2.gz GTWMSSJOHGPUIS-DYVFJYSZSA-N 0 0 427.432 2.679 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000040120050 569489434 /nfs/dbraw/zinc/48/94/34/569489434.db2.gz YRQOHYOZADKXLU-CVEARBPZSA-N 0 0 426.435 2.856 50 0 IFAARN Cn1c(NCc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C ZINC000008951389 569489834 /nfs/dbraw/zinc/48/98/34/569489834.db2.gz MQADYFIBHHGLTR-UHFFFAOYSA-N 0 0 427.867 2.887 50 0 IFAARN COc1ccc(-c2nn(CC(=O)NCc3ccco3)c(=O)c3nc(C)sc32)cc1OC ZINC000008955661 569490153 /nfs/dbraw/zinc/49/01/53/569490153.db2.gz RKKBHOXMBHGFFD-UHFFFAOYSA-N 0 0 440.481 2.755 50 0 IFAARN COc1ccc(-c2nn(CC(=O)NC3CCCC3)c(=O)c3nc(C)sc32)cc1OC ZINC000008955652 569490155 /nfs/dbraw/zinc/49/01/55/569490155.db2.gz KNXCCETYJSVOBO-UHFFFAOYSA-N 0 0 428.514 2.904 50 0 IFAARN COc1cccc(-c2nn(CC(=O)Nc3ccc(C(N)=O)cc3)c(=O)c3nc(C)sc32)c1 ZINC000008955915 569490180 /nfs/dbraw/zinc/49/01/80/569490180.db2.gz MWASKNFEUJLGBQ-UHFFFAOYSA-N 0 0 449.492 2.575 50 0 IFAARN Cc1oc(C(=O)NC[C@H](C)N2CCc3sccc3C2)cc1S(=O)(=O)N1CCCC1 ZINC000040133452 569490438 /nfs/dbraw/zinc/49/04/38/569490438.db2.gz RRKCVSKNMKUKKW-AWEZNQCLSA-N 0 0 437.587 2.611 50 0 IFAARN CCNC(=O)C1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CCCCC1 ZINC000040134616 569490591 /nfs/dbraw/zinc/49/05/91/569490591.db2.gz GOAKAXHPYNEYDA-UHFFFAOYSA-N 0 0 449.617 2.659 50 0 IFAARN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000040135677 569490758 /nfs/dbraw/zinc/49/07/58/569490758.db2.gz MURZPZTYTNPTLQ-ZFWWWQNUSA-N 0 0 435.933 2.867 50 0 IFAARN Cc1cc(Br)oc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000040140154 569491476 /nfs/dbraw/zinc/49/14/76/569491476.db2.gz YNUGQLNMYZJVNC-UHFFFAOYSA-N 0 0 429.292 2.624 50 0 IFAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)C(=O)N(C4CCCC4)C3=O)[C@H](c3ccco3)C2)cc1 ZINC000008966196 569491723 /nfs/dbraw/zinc/49/17/23/569491723.db2.gz RTBKXEJWNHSLHD-IBGZPJMESA-N 0 0 448.479 2.999 50 0 IFAARN C[C@@H](SCc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000040141614 569491744 /nfs/dbraw/zinc/49/17/44/569491744.db2.gz NYUDLAKMMNUHAG-MRXNPFEDSA-N 0 0 428.583 2.722 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)n1ccnc1 ZINC000040145086 569492099 /nfs/dbraw/zinc/49/20/99/569492099.db2.gz HIPLQJCWNPIKSR-AWEZNQCLSA-N 0 0 428.470 2.655 50 0 IFAARN Cn1cc(-c2nc(C(=O)N3CCC(C(=O)NCCc4ccccc4F)CC3)cs2)cn1 ZINC000040145333 569492124 /nfs/dbraw/zinc/49/21/24/569492124.db2.gz WIELFNIOOHUHLD-UHFFFAOYSA-N 0 0 441.532 2.894 50 0 IFAARN C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C[C@H](C)O1 ZINC000040145611 569492134 /nfs/dbraw/zinc/49/21/34/569492134.db2.gz YCTQVVINJPXNKT-IRXDYDNUSA-N 0 0 447.557 2.926 50 0 IFAARN CCNC(=O)CN(C)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000040149426 569492442 /nfs/dbraw/zinc/49/24/42/569492442.db2.gz BJLQGMYIUBNNPP-UHFFFAOYSA-N 0 0 431.587 2.824 50 0 IFAARN COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C(=O)N2CCCC2)c2ccccc2)c1 ZINC000040149791 569492678 /nfs/dbraw/zinc/49/26/78/569492678.db2.gz NATZWEPUCSOKKP-SFHVURJKSA-N 0 0 436.917 2.769 50 0 IFAARN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000040150821 569493254 /nfs/dbraw/zinc/49/32/54/569493254.db2.gz IDGNNTNLGAXEFS-KRWDZBQOSA-N 0 0 427.954 3.000 50 0 IFAARN COc1ccc([C@@H](NC(=O)CN2CCC[C@H](C(=O)Nc3nncs3)C2)C(C)C)cc1 ZINC000040151468 569493300 /nfs/dbraw/zinc/49/33/00/569493300.db2.gz VHXJWKDCFUNQIT-LPHOPBHVSA-N 0 0 431.562 2.711 50 0 IFAARN COC(=O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)c2sc(NC(=O)C3CC3)cc2C)nn1 ZINC000040152712 569493498 /nfs/dbraw/zinc/49/34/98/569493498.db2.gz ASZIXOMBHPJYBW-DZGCQCFKSA-N 0 0 431.518 2.697 50 0 IFAARN Cc1oc(C(=O)NCCc2nccn2Cc2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000040153325 569493569 /nfs/dbraw/zinc/49/35/69/569493569.db2.gz JQDMDQMCPGSFGU-UHFFFAOYSA-N 0 0 442.541 2.590 50 0 IFAARN Cn1c(SCc2cc3c(c(Br)c2)OCO3)nnc1[C@H]1CCS(=O)(=O)C1 ZINC000040154974 569493808 /nfs/dbraw/zinc/49/38/08/569493808.db2.gz WLANPVXLUQVHEH-JTQLQIEISA-N 0 0 446.348 2.501 50 0 IFAARN CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1CCCOC ZINC000008989340 569494975 /nfs/dbraw/zinc/49/49/75/569494975.db2.gz OFVHKYXDZUQMOQ-LBPRGKRZSA-N 0 0 425.942 2.961 50 0 IFAARN CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1CCCOC ZINC000008989339 569494984 /nfs/dbraw/zinc/49/49/84/569494984.db2.gz OFVHKYXDZUQMOQ-GFCCVEGCSA-N 0 0 425.942 2.961 50 0 IFAARN Cc1oc2cc(OCC(=O)N3CCC(C(N)=O)CC3)ccc2c(=O)c1Oc1ccccc1 ZINC000008990441 569495005 /nfs/dbraw/zinc/49/50/05/569495005.db2.gz JZCLVQGSFCSWTM-UHFFFAOYSA-N 0 0 436.464 2.996 50 0 IFAARN O=C(c1cccnc1Cl)N(CCS(=O)(=O)N1CCCCCC1)Cc1cccnc1 ZINC000008990346 569495035 /nfs/dbraw/zinc/49/50/35/569495035.db2.gz HSDYXGZLIBFOLE-UHFFFAOYSA-N 0 0 436.965 2.978 50 0 IFAARN COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1OC ZINC000040162377 569495180 /nfs/dbraw/zinc/49/51/80/569495180.db2.gz RGBWBNCSICHOME-LBPRGKRZSA-N 0 0 428.457 2.528 50 0 IFAARN Cc1oc2cc(OCC(=O)NCCOCCO)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000008992246 569495295 /nfs/dbraw/zinc/49/52/95/569495295.db2.gz SAQIGMLKPAQOLE-UHFFFAOYSA-N 0 0 431.872 2.926 50 0 IFAARN COc1ccc(CCNC(=O)c2nnn(-c3ccc(Br)cc3)c2N)cc1OC ZINC000008991823 569495343 /nfs/dbraw/zinc/49/53/43/569495343.db2.gz JPCZVSVJMDWQBS-UHFFFAOYSA-N 0 0 446.305 2.602 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@H]4c2ccccc2OC)n(C)c(=O)n(C)c3=O)cc1 ZINC000008996077 569495772 /nfs/dbraw/zinc/49/57/72/569495772.db2.gz KSFPBSXRBBQETG-QHCPKHFHSA-N 0 0 447.491 2.843 50 0 IFAARN CCCCc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)cc1 ZINC000009000911 569495969 /nfs/dbraw/zinc/49/59/69/569495969.db2.gz UKAQDDMXOYZTOG-UHFFFAOYSA-N 0 0 443.507 2.983 50 0 IFAARN CCc1cccc(CC)c1NC(=O)Cn1c2cccnc2c(=O)n(Cc2cccnc2)c1=O ZINC000009001278 569495991 /nfs/dbraw/zinc/49/59/91/569495991.db2.gz FCBNXPLISYHWQS-UHFFFAOYSA-N 0 0 443.507 2.765 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)c(C)c1 ZINC000009001318 569496010 /nfs/dbraw/zinc/49/60/10/569496010.db2.gz FHKWWHWAIXNBBH-UHFFFAOYSA-N 0 0 429.480 2.565 50 0 IFAARN Cc1cc(OC2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)cc(=O)n1C1CC1 ZINC000244975144 569496699 /nfs/dbraw/zinc/49/66/99/569496699.db2.gz IDJQZFLSOZQJQC-UHFFFAOYSA-N 0 0 428.432 2.962 50 0 IFAARN COc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(Br)cc3)CC2=O)cc1 ZINC000009035657 569497246 /nfs/dbraw/zinc/49/72/46/569497246.db2.gz YOPOCYDMUOCBLI-CYBMUJFWSA-N 0 0 439.331 2.789 50 0 IFAARN O=C1C[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CN1Cc1ccc(F)cc1 ZINC000009038195 569497405 /nfs/dbraw/zinc/49/74/05/569497405.db2.gz JFZAUNFFMVSGIT-CQSZACIVSA-N 0 0 441.322 2.915 50 0 IFAARN CCOc1ccc(N2C[C@H](CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC000009039644 569497454 /nfs/dbraw/zinc/49/74/54/569497454.db2.gz MJIHMFNECGPQND-KRWDZBQOSA-N 0 0 427.501 2.955 50 0 IFAARN CC(C)Cc1cc2c(ncn(CC(=O)c3ccc4c(c3)N(S(C)(=O)=O)CC4)c2=O)s1 ZINC000040268182 569497507 /nfs/dbraw/zinc/49/75/07/569497507.db2.gz IFABWLNDBIATDD-UHFFFAOYSA-N 0 0 445.566 2.862 50 0 IFAARN COc1cc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc(OC)c1OC ZINC000009040703 569497531 /nfs/dbraw/zinc/49/75/31/569497531.db2.gz CTFJZIZPNXTRQL-ZDUSSCGKSA-N 0 0 443.456 2.616 50 0 IFAARN COc1cccc(CNS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)c1 ZINC000040450198 569506250 /nfs/dbraw/zinc/50/62/50/569506250.db2.gz MSLAWROCLSURGW-UHFFFAOYSA-N 0 0 439.331 2.845 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000009050484 569498630 /nfs/dbraw/zinc/49/86/30/569498630.db2.gz YMJYAXNLFWRBCS-MBAYWBQQSA-N 0 0 447.601 2.987 50 0 IFAARN C[C@H](CCc1ccco1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009053608 569498815 /nfs/dbraw/zinc/49/88/15/569498815.db2.gz LYMFNWDSFYKLDC-HUUCEWRRSA-N 0 0 448.570 2.823 50 0 IFAARN C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009053606 569498816 /nfs/dbraw/zinc/49/88/16/569498816.db2.gz LYMFNWDSFYKLDC-LSDHHAIUSA-N 0 0 448.570 2.823 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Br)c1 ZINC000009054016 569498892 /nfs/dbraw/zinc/49/88/92/569498892.db2.gz ZCJCYUGUQKTSJM-UHFFFAOYSA-N 0 0 425.304 2.911 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1ccnn1C1CCCC1 ZINC000009056314 569499053 /nfs/dbraw/zinc/49/90/53/569499053.db2.gz QZRIFZVUVWUGIX-UHFFFAOYSA-N 0 0 435.575 2.909 50 0 IFAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O ZINC000009056657 569499083 /nfs/dbraw/zinc/49/90/83/569499083.db2.gz ZRSOSHJILVYIKG-NSYGIPOTSA-N 0 0 445.475 2.563 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000069291755 569499591 /nfs/dbraw/zinc/49/95/91/569499591.db2.gz DGLDEDDVDFSSPW-VQIMIIECSA-N 0 0 440.009 2.515 50 0 IFAARN C[C@H](OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245228220 569499731 /nfs/dbraw/zinc/49/97/31/569499731.db2.gz KRNGJMMSVZBNAO-DVOMOZLQSA-N 0 0 425.323 2.806 50 0 IFAARN CC(=O)C[C@@H]1N(C2CCCCCC2)C(=O)[C@@H]2N(C3CCCCC3)C(=O)[C@H]3CC(=O)O[C@@]231 ZINC000245228564 569499925 /nfs/dbraw/zinc/49/99/25/569499925.db2.gz PDZJHBREDMLRBA-HGBASVHRSA-N 0 0 430.545 2.745 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)[C@@H]1C ZINC000245257891 569501553 /nfs/dbraw/zinc/50/15/53/569501553.db2.gz GLRMJGOQVKNCDH-GFPCFBFFSA-N 0 0 435.615 2.850 50 0 IFAARN CCOC(=O)C=c1sc(=Cc2ccc(SC)cc2)c(=O)n1Cc1ccc(F)cc1 ZINC000245284009 569502194 /nfs/dbraw/zinc/50/21/94/569502194.db2.gz PRKDREKBWLWBRG-UHFFFAOYSA-N 0 0 429.538 2.992 50 0 IFAARN COc1cccc(C(=O)Cn2cnc3c2c(=O)n(CC2CC2)c(=O)n3-c2ccc(F)cc2)c1 ZINC000040416851 569502268 /nfs/dbraw/zinc/50/22/68/569502268.db2.gz IHLIBSNHDWNBEU-UHFFFAOYSA-N 0 0 448.454 2.790 50 0 IFAARN O=C(COc1ccc(-c2ccccc2)cc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000009112890 569502463 /nfs/dbraw/zinc/50/24/63/569502463.db2.gz YEEGLBSJSOXUPW-UNMCSNQZSA-N 0 0 429.538 2.927 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)Nc3cccc(C)n3)C(C)C)cc2C[C@H]1C ZINC000009118212 569503250 /nfs/dbraw/zinc/50/32/50/569503250.db2.gz HBOVVHUEZANIMY-VFNWGFHPSA-N 0 0 444.557 2.629 50 0 IFAARN O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000009119516 569503515 /nfs/dbraw/zinc/50/35/15/569503515.db2.gz VHMFGMCJGIXOFK-HNNXBMFYSA-N 0 0 436.392 2.993 50 0 IFAARN COc1cc(NC(=O)CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(OC)c1 ZINC000009120446 569503937 /nfs/dbraw/zinc/50/39/37/569503937.db2.gz WORJEXNHORWHSM-UHFFFAOYSA-N 0 0 433.530 2.929 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000009124844 569504445 /nfs/dbraw/zinc/50/44/45/569504445.db2.gz RHQBHDPBHBUSMU-YLJYHZDGSA-N 0 0 448.523 2.887 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000009124845 569504452 /nfs/dbraw/zinc/50/44/52/569504452.db2.gz RHQBHDPBHBUSMU-FXAWDEMLSA-N 0 0 448.523 2.887 50 0 IFAARN CCOc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2Cc2ccccc2)cc1 ZINC000009126738 569505030 /nfs/dbraw/zinc/50/50/30/569505030.db2.gz FTXZVRPEPLAAPG-UHFFFAOYSA-N 0 0 429.480 2.800 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)Nc1ccc2c(c1)OCO2 ZINC000009127094 569505086 /nfs/dbraw/zinc/50/50/86/569505086.db2.gz YFALWRWUMYMVLI-UHFFFAOYSA-N 0 0 435.527 2.716 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2)CC1 ZINC000009127958 569505309 /nfs/dbraw/zinc/50/53/09/569505309.db2.gz AVDKRIWJMPNBOL-SFHVURJKSA-N 0 0 430.526 2.677 50 0 IFAARN CCn1c(=O)c(C(=O)CNc2ccc(Cl)cc2F)c(N)n(Cc2ccccc2)c1=O ZINC000009128106 569505350 /nfs/dbraw/zinc/50/53/50/569505350.db2.gz KJUYUXQEYSYDTN-UHFFFAOYSA-N 0 0 430.867 2.748 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCS4)cc1 ZINC000009129820 569505857 /nfs/dbraw/zinc/50/58/57/569505857.db2.gz MSGZXCDFPPLBPA-UHFFFAOYSA-N 0 0 438.484 2.921 50 0 IFAARN Cc1ccccc1NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009134593 569507045 /nfs/dbraw/zinc/50/70/45/569507045.db2.gz LKCWUNBVNJNANA-UHFFFAOYSA-N 0 0 429.542 2.541 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)N1CCN(C(=O)c3ccco3)CC1)COC(C)(C)C2 ZINC000009134756 569507099 /nfs/dbraw/zinc/50/70/99/569507099.db2.gz RCPYAKUUYNZYIL-UHFFFAOYSA-N 0 0 447.513 2.969 50 0 IFAARN COc1ccc(OC)c(NC(=O)C[C@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 ZINC000009151774 569507559 /nfs/dbraw/zinc/50/75/59/569507559.db2.gz IBVFWDZUNVBGEI-ZDUSSCGKSA-N 0 0 448.497 2.534 50 0 IFAARN C[C@H](CC(=O)Nc1ccc(-c2ccno2)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000009151687 569507581 /nfs/dbraw/zinc/50/75/81/569507581.db2.gz UULYBVFIOFZETJ-CYBMUJFWSA-N 0 0 441.465 2.864 50 0 IFAARN CCOc1ccccc1NC(=O)C[C@H](C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000009151815 569507626 /nfs/dbraw/zinc/50/76/26/569507626.db2.gz RAURZIFEWALXLV-AWEZNQCLSA-N 0 0 432.498 2.916 50 0 IFAARN Nc1nc(SCC(=O)Nc2ccc(F)cc2F)ncc1S(=O)(=O)c1ccccc1 ZINC000009152072 569507665 /nfs/dbraw/zinc/50/76/65/569507665.db2.gz RYXMVYJSEDNKIW-UHFFFAOYSA-N 0 0 436.465 2.901 50 0 IFAARN Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1N(C)C ZINC000009153317 569508091 /nfs/dbraw/zinc/50/80/91/569508091.db2.gz QASHNEIGGIVGRO-OAHLLOKOSA-N 0 0 445.541 2.891 50 0 IFAARN Cc1cc(C(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)c(C)n1C1CC1 ZINC000009155591 569508320 /nfs/dbraw/zinc/50/83/20/569508320.db2.gz GGJGUSJPNPCRIZ-XMMPIXPASA-N 0 0 435.480 2.775 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000009156507 569508341 /nfs/dbraw/zinc/50/83/41/569508341.db2.gz UWJRUQQKKXWTDN-UHFFFAOYSA-N 0 0 449.485 2.526 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O ZINC000009168381 569509162 /nfs/dbraw/zinc/50/91/62/569509162.db2.gz KPOPINVAIQZROL-FQEVSTJZSA-N 0 0 433.823 2.656 50 0 IFAARN C[C@H](OC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O)C(N)=O ZINC000009195587 569510973 /nfs/dbraw/zinc/51/09/73/569510973.db2.gz HDRVGIYUZOHUPP-ZDUSSCGKSA-N 0 0 447.413 2.813 50 0 IFAARN COc1ccc(-n2nnnc2C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000009199754 569511109 /nfs/dbraw/zinc/51/11/09/569511109.db2.gz MAPHLUWTEQMYMJ-UHFFFAOYSA-N 0 0 439.950 2.954 50 0 IFAARN COc1ccc(-n2nnnc2C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000009199805 569511127 /nfs/dbraw/zinc/51/11/27/569511127.db2.gz HEUQKLSIJQLPTQ-UHFFFAOYSA-N 0 0 433.921 2.893 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3nnc4nc(C)cc(C)n43)nc2c1 ZINC000009202990 569511214 /nfs/dbraw/zinc/51/12/14/569511214.db2.gz SYZZBMABBPKWAR-UHFFFAOYSA-N 0 0 445.574 2.940 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1=O ZINC000009216794 569512187 /nfs/dbraw/zinc/51/21/87/569512187.db2.gz ZDMXCTQBVISBQB-JOCHJYFZSA-N 0 0 435.463 2.780 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC000009219027 569512426 /nfs/dbraw/zinc/51/24/26/569512426.db2.gz JUQZXDSUTPOKPX-UHFFFAOYSA-N 0 0 429.527 2.523 50 0 IFAARN Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1Cc1cccs1 ZINC000009223637 569512984 /nfs/dbraw/zinc/51/29/84/569512984.db2.gz NDWPJIQQLSNARE-UHFFFAOYSA-N 0 0 433.555 2.510 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000009229025 569513684 /nfs/dbraw/zinc/51/36/84/569513684.db2.gz WRQIDUSMZCPGOZ-UHFFFAOYSA-N 0 0 448.545 2.551 50 0 IFAARN CCn1c2ccc(NC(=O)CSc3nnc(-c4ccncc4)n3C)cc2n(CC)c1=O ZINC000009236124 569514129 /nfs/dbraw/zinc/51/41/29/569514129.db2.gz BJLJTPXFYGSFJV-UHFFFAOYSA-N 0 0 437.529 2.764 50 0 IFAARN CC1(C)Cc2nc3oc4c(ncn(CC(=O)NCCc5ccccc5)c4=O)c3cc2CO1 ZINC000009242816 569514706 /nfs/dbraw/zinc/51/47/06/569514706.db2.gz SWURSEIGLHOERS-UHFFFAOYSA-N 0 0 432.480 2.748 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@H]4c2cccc(OC)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000009252708 569516014 /nfs/dbraw/zinc/51/60/14/569516014.db2.gz CBVNYEHHKTZPFY-QHCPKHFHSA-N 0 0 447.491 2.843 50 0 IFAARN COc1ccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2cccc(F)c2)cc1OC ZINC000009252646 569516036 /nfs/dbraw/zinc/51/60/36/569516036.db2.gz KAYDBCYENYUKSD-UXHICEINSA-N 0 0 438.459 2.767 50 0 IFAARN COc1ccccc1[C@@H]1c2ccc(O)cc2Oc2ncn(CCN3CCOCC3)c(=N)c21 ZINC000009252769 569516080 /nfs/dbraw/zinc/51/60/80/569516080.db2.gz YHNDFFIOEZNIDS-OAQYLSRUSA-N 0 0 434.496 2.695 50 0 IFAARN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000009253166 569516130 /nfs/dbraw/zinc/51/61/30/569516130.db2.gz MVVLAHKMMLXRDI-LLVKDONJSA-N 0 0 426.325 2.779 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N[C@H]1CCSc2ccccc21 ZINC000009254384 569516361 /nfs/dbraw/zinc/51/63/61/569516361.db2.gz BQEUFCNXFHMAAN-INIZCTEOSA-N 0 0 438.596 2.665 50 0 IFAARN O=C(COC(=O)c1cccc(-n2cnnn2)c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000009254405 569516371 /nfs/dbraw/zinc/51/63/71/569516371.db2.gz DDNVTRIJVRUKMG-UHFFFAOYSA-N 0 0 440.309 2.905 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2cc(C)ccc2[nH]1 ZINC000009255123 569516479 /nfs/dbraw/zinc/51/64/79/569516479.db2.gz NNLRLINQLICBHS-UHFFFAOYSA-N 0 0 434.543 2.861 50 0 IFAARN Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(C)n1-c1nccs1 ZINC000009255617 569516567 /nfs/dbraw/zinc/51/65/67/569516567.db2.gz SCJCPJQRVSQBFS-OAHLLOKOSA-N 0 0 427.482 2.918 50 0 IFAARN CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c2ccccc2c1=O ZINC000009255469 569516585 /nfs/dbraw/zinc/51/65/85/569516585.db2.gz MYSZMZGGKWSFHJ-UHFFFAOYSA-N 0 0 428.514 2.746 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 ZINC000009262503 569517028 /nfs/dbraw/zinc/51/70/28/569517028.db2.gz VAIOWRKLDOUYDW-NSHDSACASA-N 0 0 432.531 2.502 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(CCNC(=O)c2ccccc2F)n1C ZINC000009262989 569517079 /nfs/dbraw/zinc/51/70/79/569517079.db2.gz MBVIOFDCDQTPDR-WMLDXEAASA-N 0 0 433.553 2.714 50 0 IFAARN COc1ccc(C(=O)N[C@H](C)c2nnc(S[C@H](C)C(=O)Nc3nccs3)n2C)cc1 ZINC000009263350 569517159 /nfs/dbraw/zinc/51/71/59/569517159.db2.gz SJAQQUNFTXYADC-VXGBXAGGSA-N 0 0 446.558 2.891 50 0 IFAARN CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009263926 569517240 /nfs/dbraw/zinc/51/72/40/569517240.db2.gz FZXGCMKOGISZSX-UHFFFAOYSA-N 0 0 443.573 2.998 50 0 IFAARN COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1C ZINC000009263819 569517264 /nfs/dbraw/zinc/51/72/64/569517264.db2.gz MTMRGMLSXUOGTG-UHFFFAOYSA-N 0 0 429.477 2.624 50 0 IFAARN Cc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(Cl)cc3)n2C)s1 ZINC000009263984 569517265 /nfs/dbraw/zinc/51/72/65/569517265.db2.gz DWNKMHZFDGGOFA-UHFFFAOYSA-N 0 0 437.938 2.540 50 0 IFAARN CCOc1ccc(OCC)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000009266146 569517363 /nfs/dbraw/zinc/51/73/63/569517363.db2.gz YADYJIFEMYNAHN-UHFFFAOYSA-N 0 0 448.497 2.731 50 0 IFAARN Cc1cc(C)cc(NC(=O)CN2C(=O)N(c3cc(C)cc(C)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009269421 569517661 /nfs/dbraw/zinc/51/76/61/569517661.db2.gz MTCICKHHMFWEAV-NHCUHLMSSA-N 0 0 441.553 2.967 50 0 IFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)NCc1cccs1 ZINC000009274303 569518158 /nfs/dbraw/zinc/51/81/58/569518158.db2.gz HWKXSCYHZZSNTN-UHFFFAOYSA-N 0 0 431.470 2.557 50 0 IFAARN O=C(CSc1nnc(CNC(=O)c2ccco2)n1-c1ccccc1)Nc1nccs1 ZINC000009279153 569518486 /nfs/dbraw/zinc/51/84/86/569518486.db2.gz VWOPHGWVUMKRNP-UHFFFAOYSA-N 0 0 440.510 2.978 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)Nc1ccc(Cl)cc1 ZINC000009278125 569518518 /nfs/dbraw/zinc/51/85/18/569518518.db2.gz WZTNVXHAPWHHBP-UHFFFAOYSA-N 0 0 429.267 2.982 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2COc3ccccc3O2)ccc1Cl ZINC000009282920 569518802 /nfs/dbraw/zinc/51/88/02/569518802.db2.gz OWMNYVZNZZAGBI-OAHLLOKOSA-N 0 0 438.933 2.940 50 0 IFAARN O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009284311 569519069 /nfs/dbraw/zinc/51/90/69/569519069.db2.gz APMKGXUTHNOVPS-UHFFFAOYSA-N 0 0 435.933 2.883 50 0 IFAARN CSc1ccc(CCNC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1 ZINC000009287964 569519315 /nfs/dbraw/zinc/51/93/15/569519315.db2.gz QGUKBJZZDDKSBZ-MRXNPFEDSA-N 0 0 431.587 2.715 50 0 IFAARN Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4CCc3ccccc3)n(C)c2=O)cc1 ZINC000009292590 569520031 /nfs/dbraw/zinc/52/00/31/569520031.db2.gz UBYCUEDIVNCPAT-UHFFFAOYSA-N 0 0 429.524 2.706 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2ccc(F)cc2)c1=O)CCCN3CCc1ccccc1 ZINC000009292978 569520075 /nfs/dbraw/zinc/52/00/75/569520075.db2.gz NHOINGZNCKQZGB-UHFFFAOYSA-N 0 0 433.487 2.537 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(Cl)cc1C ZINC000009300995 569520717 /nfs/dbraw/zinc/52/07/17/569520717.db2.gz HTXNKDOJSDZUDS-UHFFFAOYSA-N 0 0 427.910 2.687 50 0 IFAARN COc1ccc([C@@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000009302839 569520897 /nfs/dbraw/zinc/52/08/97/569520897.db2.gz RBNCACYYDMZDCI-QFIPXVFZSA-N 0 0 433.464 2.540 50 0 IFAARN CCn1c(C)cc(O)c(C(c2ccc3c(c2)OCO3)c2c(O)cc(C)n(CC)c2=O)c1=O ZINC000009302915 569520950 /nfs/dbraw/zinc/52/09/50/569520950.db2.gz PQUJMZDXQUXOBI-UHFFFAOYSA-N 0 0 438.480 2.987 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1 ZINC000009302957 569520957 /nfs/dbraw/zinc/52/09/57/569520957.db2.gz MBAYEIOOGYAWMY-GOSISDBHSA-N 0 0 441.553 2.936 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)cc1 ZINC000009304287 569521154 /nfs/dbraw/zinc/52/11/54/569521154.db2.gz OPDSOHUFFOPVOD-MRXNPFEDSA-N 0 0 431.514 2.693 50 0 IFAARN Cc1ccc(S(=O)(=O)NC2CCC(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)CC2)cc1 ZINC000009308319 569521432 /nfs/dbraw/zinc/52/14/32/569521432.db2.gz LRVIFVMVFGRBHO-VOIIDZAXSA-N 0 0 434.602 2.986 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)Sc2nc3sccc3c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000009314839 569522056 /nfs/dbraw/zinc/52/20/56/569522056.db2.gz MVNKTNMVNBUZFT-GFCCVEGCSA-N 0 0 441.538 2.902 50 0 IFAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)c1 ZINC000009316214 569522244 /nfs/dbraw/zinc/52/22/44/569522244.db2.gz LRTFLFDUFYNADN-UHFFFAOYSA-N 0 0 428.543 2.659 50 0 IFAARN Cc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)s1 ZINC000009317667 569522337 /nfs/dbraw/zinc/52/23/37/569522337.db2.gz QFGIYRCUSFDZMZ-AWEZNQCLSA-N 0 0 435.571 2.846 50 0 IFAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2N)c(=O)n(-c2ccccc2)n1C ZINC000009335746 569523332 /nfs/dbraw/zinc/52/33/32/569523332.db2.gz VGRNMOWANMVABU-ZDUSSCGKSA-N 0 0 428.876 2.904 50 0 IFAARN CCc1ccccc1NC(=O)CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000009337632 569523553 /nfs/dbraw/zinc/52/35/53/569523553.db2.gz VUOZBGVUBKEQEA-UHFFFAOYSA-N 0 0 439.537 2.826 50 0 IFAARN O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009341136 569523876 /nfs/dbraw/zinc/52/38/76/569523876.db2.gz JJVSXKUKWDEISB-QGZVFWFLSA-N 0 0 446.916 2.860 50 0 IFAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)c1 ZINC000009341103 569523877 /nfs/dbraw/zinc/52/38/77/569523877.db2.gz NPTSWHJFWNJQBM-OAHLLOKOSA-N 0 0 444.538 2.933 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCCc1ccc(F)cc1 ZINC000009342878 569523942 /nfs/dbraw/zinc/52/39/42/569523942.db2.gz KRLUUFVAMKTDKQ-UHFFFAOYSA-N 0 0 429.311 2.616 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@](NC(=O)c3cccc(OC)c3)(C(F)(F)F)C2=O)cc1 ZINC000009346276 569524219 /nfs/dbraw/zinc/52/42/19/569524219.db2.gz JECNJRRXHPHOFV-LJQANCHMSA-N 0 0 437.374 2.649 50 0 IFAARN Cc1ccc(-c2c3c(c4n2CCO[C@H]4c2ccc(O)cc2O)n(C)c(=O)n(C)c3=O)cc1 ZINC000009348175 569524370 /nfs/dbraw/zinc/52/43/70/569524370.db2.gz YZAHDKDVTSFXDB-QFIPXVFZSA-N 0 0 433.464 2.545 50 0 IFAARN COc1ccc([C@@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c(OC)c1 ZINC000009348845 569524552 /nfs/dbraw/zinc/52/45/52/569524552.db2.gz GQMSGQPEGXUWIW-QHCPKHFHSA-N 0 0 447.491 2.843 50 0 IFAARN COCCNC(=O)CSc1ccccc1C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000009349031 569524638 /nfs/dbraw/zinc/52/46/38/569524638.db2.gz GFHNKZNLGSXECD-UHFFFAOYSA-N 0 0 427.526 2.686 50 0 IFAARN Cc1ccc(C(=O)OCc2ccc(-n3cccn3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000009349289 569524711 /nfs/dbraw/zinc/52/47/11/569524711.db2.gz VYKVRZIWTDMHHM-UHFFFAOYSA-N 0 0 441.509 2.559 50 0 IFAARN CCCCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@@]12c1cc(Br)ccc1NC2=O ZINC000009350084 569524814 /nfs/dbraw/zinc/52/48/14/569524814.db2.gz CNPWAMBIXOKEKW-IBGZPJMESA-N 0 0 447.289 2.625 50 0 IFAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)N(C)C[C@H](O)c3ccc(O)cc3)C2=O)cc1 ZINC000009353126 569524864 /nfs/dbraw/zinc/52/48/64/569524864.db2.gz FAKJLLJZRCFXEZ-FUDBJYBQSA-N 0 0 442.493 2.629 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1C ZINC000009351652 569524910 /nfs/dbraw/zinc/52/49/10/569524910.db2.gz VONNGIQKNWJOQV-CQSZACIVSA-N 0 0 439.921 2.591 50 0 IFAARN CCOC(=O)c1ccc(N[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000009353481 569524957 /nfs/dbraw/zinc/52/49/57/569524957.db2.gz ICMHVOPOYIJGJD-SFHVURJKSA-N 0 0 426.469 2.663 50 0 IFAARN COc1ccc(CC(=O)Nc2nnc(SCC(=O)Nc3nnc(C)s3)s2)cc1 ZINC000009366951 569526354 /nfs/dbraw/zinc/52/63/54/569526354.db2.gz SEVWMXZYPDTGQX-UHFFFAOYSA-N 0 0 436.544 2.619 50 0 IFAARN Cc1ccc(-c2nnc3sc(NC(=O)CN4C(=O)c5ccccc5C4=O)nn32)cc1F ZINC000041076572 569526462 /nfs/dbraw/zinc/52/64/62/569526462.db2.gz QZHRFUVTASNHQW-UHFFFAOYSA-N 0 0 436.428 2.535 50 0 IFAARN Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CCN(Cc1cccnc1)C2 ZINC000069977082 569526655 /nfs/dbraw/zinc/52/66/55/569526655.db2.gz IFXGWVBKBOFCAZ-UHFFFAOYSA-N 0 0 430.434 2.821 50 0 IFAARN O=C(CSc1nc2ccccc2c2nnnn21)NCc1cccc(Br)c1 ZINC000069982249 569526918 /nfs/dbraw/zinc/52/69/18/569526918.db2.gz IMIRVPYKOTXOAV-UHFFFAOYSA-N 0 0 429.303 2.844 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000009373612 569527021 /nfs/dbraw/zinc/52/70/21/569527021.db2.gz OWRJOOFCPIUUBR-UHFFFAOYSA-N 0 0 440.543 2.598 50 0 IFAARN CCOC(=O)c1cnn(C)c1NC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000009377912 569527599 /nfs/dbraw/zinc/52/75/99/569527599.db2.gz LJBLMHWOVZYTRO-UHFFFAOYSA-N 0 0 434.452 2.765 50 0 IFAARN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)c2c[nH]c3ccccc32)cc1 ZINC000009379009 569527724 /nfs/dbraw/zinc/52/77/24/569527724.db2.gz QZBJZKPNZBTNRE-FXAWDEMLSA-N 0 0 425.554 2.917 50 0 IFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000009380814 569528006 /nfs/dbraw/zinc/52/80/06/569528006.db2.gz HSTRDVLHTUSIMC-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2CC)CC1 ZINC000009382287 569528243 /nfs/dbraw/zinc/52/82/43/569528243.db2.gz OOPJXZJRAGXILG-UHFFFAOYSA-N 0 0 442.545 2.839 50 0 IFAARN O=C(Cc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1)N1CCOCC1 ZINC000009385986 569528479 /nfs/dbraw/zinc/52/84/79/569528479.db2.gz KSKFNNCZBSXKEZ-UHFFFAOYSA-N 0 0 449.598 2.776 50 0 IFAARN Cn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1-c1ccco1 ZINC000009390589 569528720 /nfs/dbraw/zinc/52/87/20/569528720.db2.gz ZGAILMOENOATDR-UHFFFAOYSA-N 0 0 447.542 2.590 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1C ZINC000009396649 569529144 /nfs/dbraw/zinc/52/91/44/569529144.db2.gz KTKGWYRRNPWPDJ-UHFFFAOYSA-N 0 0 447.513 2.643 50 0 IFAARN Cc1ccc(N(C)S(=O)(=O)c2nnc(NC(=O)COc3ccccc3C)s2)cc1 ZINC000009405031 569529738 /nfs/dbraw/zinc/52/97/38/569529738.db2.gz MHVGDQLLXFCPDV-UHFFFAOYSA-N 0 0 432.527 2.998 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccc(F)cc2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009408267 569530526 /nfs/dbraw/zinc/53/05/26/569530526.db2.gz NNKPEPIBGIMVPN-ROUUACIJSA-N 0 0 449.529 2.548 50 0 IFAARN CCOc1ccc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c2ccccc2)cc1 ZINC000009408364 569530540 /nfs/dbraw/zinc/53/05/40/569530540.db2.gz PHHOOJFLQUKZCI-RTBURBONSA-N 0 0 445.566 2.799 50 0 IFAARN COc1cccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c2ccccc2F)c1 ZINC000009408449 569530609 /nfs/dbraw/zinc/53/06/09/569530609.db2.gz RMWNSAGUNXTKGP-WMZOPIPTSA-N 0 0 449.529 2.548 50 0 IFAARN CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)c2ccccc2)c1=O)CCCC3 ZINC000009409963 569531215 /nfs/dbraw/zinc/53/12/15/569531215.db2.gz XYQDDUYJPSAWDN-UHFFFAOYSA-N 0 0 426.494 2.550 50 0 IFAARN COc1ccccc1CNC(=O)Cn1c(=O)c2sccc2n(Cc2ccccc2)c1=O ZINC000009410341 569531313 /nfs/dbraw/zinc/53/13/13/569531313.db2.gz IDHAHNNXGHFMAL-UHFFFAOYSA-N 0 0 435.505 2.598 50 0 IFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1=O ZINC000009413154 569531727 /nfs/dbraw/zinc/53/17/27/569531727.db2.gz UHTSLHQDLSVROY-QKFKETGDSA-N 0 0 441.459 2.631 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)c2cccc(OC)c2OC)C[S@@](=O)C3)cc1 ZINC000009413807 569531828 /nfs/dbraw/zinc/53/18/28/569531828.db2.gz QMMDQCOHNNAWJF-PMERELPUSA-N 0 0 427.482 2.913 50 0 IFAARN COc1ccc(CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C2CC2)cc1 ZINC000009413849 569531854 /nfs/dbraw/zinc/53/18/54/569531854.db2.gz NVMPDNCZRYRWKO-QHCPKHFHSA-N 0 0 425.460 2.793 50 0 IFAARN COc1ccc(CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C2CC2)cc1 ZINC000009413854 569531895 /nfs/dbraw/zinc/53/18/95/569531895.db2.gz NVMPDNCZRYRWKO-HSZRJFAPSA-N 0 0 425.460 2.793 50 0 IFAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009414586 569532027 /nfs/dbraw/zinc/53/20/27/569532027.db2.gz IETDMNZIWQIGFX-UHFFFAOYSA-N 0 0 444.967 2.974 50 0 IFAARN O=C(COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)NC(=O)Nc1ccccc1F ZINC000009415970 569532284 /nfs/dbraw/zinc/53/22/84/569532284.db2.gz LRNLEHVEOGQCNW-UHFFFAOYSA-N 0 0 445.491 2.740 50 0 IFAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnnn1C[C@@H]1CCCO1 ZINC000009416169 569532286 /nfs/dbraw/zinc/53/22/86/569532286.db2.gz WYEFMORUOMHBCL-AWEZNQCLSA-N 0 0 433.925 2.637 50 0 IFAARN O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCC1)Cc1cccnc1 ZINC000009418656 569532415 /nfs/dbraw/zinc/53/24/15/569532415.db2.gz SEIFDSHEXFYAED-UHFFFAOYSA-N 0 0 440.953 2.500 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3F)C2)cc1 ZINC000009418759 569532430 /nfs/dbraw/zinc/53/24/30/569532430.db2.gz UBKJONNAQMRDKR-GOSISDBHSA-N 0 0 447.532 2.544 50 0 IFAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3n[nH]c(=O)c4ccccc43)n2)s1 ZINC000009417872 569532434 /nfs/dbraw/zinc/53/24/34/569532434.db2.gz SNKZAGJFFJFYRD-UHFFFAOYSA-N 0 0 425.495 2.997 50 0 IFAARN CS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccccc2Cl)C1 ZINC000009421817 569532763 /nfs/dbraw/zinc/53/27/63/569532763.db2.gz YVZWEYLIQKZKBE-KRWDZBQOSA-N 0 0 427.935 2.822 50 0 IFAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3nc4ccccc4[nH]3)cc1O2 ZINC000009421663 569532771 /nfs/dbraw/zinc/53/27/71/569532771.db2.gz QBCXANURNDHSSY-UHFFFAOYSA-N 0 0 448.479 2.927 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000009426393 569533331 /nfs/dbraw/zinc/53/33/31/569533331.db2.gz MNWKEGZKIGXEII-UHFFFAOYSA-N 0 0 440.525 2.762 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 ZINC000009428582 569533553 /nfs/dbraw/zinc/53/35/53/569533553.db2.gz LETHFPKVHTZPFC-FUMNGEBKSA-N 0 0 435.867 2.946 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)NCc3ccccc3)C(C)C)cc2C[C@@H]1C ZINC000009429257 569533648 /nfs/dbraw/zinc/53/36/48/569533648.db2.gz LUHUMGAGVRKHGA-KSFYIVLOSA-N 0 0 443.569 2.603 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)NCc3ccccc3)C(C)C)cc2C[C@H]1C ZINC000009429255 569533649 /nfs/dbraw/zinc/53/36/49/569533649.db2.gz LUHUMGAGVRKHGA-OPAMFIHVSA-N 0 0 443.569 2.603 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)NCc3cccs3)C(C)C)cc2C[C@H]1C ZINC000009429243 569533676 /nfs/dbraw/zinc/53/36/76/569533676.db2.gz VVHKPRMKHBDISU-JLTOFOAXSA-N 0 0 449.598 2.665 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)cc1OC ZINC000009430702 569533925 /nfs/dbraw/zinc/53/39/25/569533925.db2.gz WXDSVJLYHSTHEJ-ZDUSSCGKSA-N 0 0 448.566 2.608 50 0 IFAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)NCCc3ccc(O)cc3)C2=O)c(OC)c1 ZINC000009430188 569533927 /nfs/dbraw/zinc/53/39/27/569533927.db2.gz NXSMYZNYWSZHAS-ODLFYWEKSA-N 0 0 442.493 2.805 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)c1nc(S(C)(=O)=O)ncc1Cl)CCCC2 ZINC000009431664 569534257 /nfs/dbraw/zinc/53/42/57/569534257.db2.gz DIRBEXKXOQZLOL-UHFFFAOYSA-N 0 0 429.907 2.513 50 0 IFAARN O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000009432345 569534354 /nfs/dbraw/zinc/53/43/54/569534354.db2.gz QWBKAYUORVLCJW-UHFFFAOYSA-N 0 0 449.573 2.647 50 0 IFAARN CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000009439544 569535102 /nfs/dbraw/zinc/53/51/02/569535102.db2.gz FXVOCBHFKSJCIX-UHFFFAOYSA-N 0 0 437.568 2.712 50 0 IFAARN COc1ccccc1CNC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009440852 569535279 /nfs/dbraw/zinc/53/52/79/569535279.db2.gz YCZVXRZSBPEWRC-CYBMUJFWSA-N 0 0 434.539 2.608 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3nc(C)sc3c2)cc1 ZINC000009441160 569535297 /nfs/dbraw/zinc/53/52/97/569535297.db2.gz NWQWJSRHKJUSFO-UHFFFAOYSA-N 0 0 432.527 2.822 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)Nc2cccnc2Cl)C(C)C)cc1 ZINC000009441285 569535346 /nfs/dbraw/zinc/53/53/46/569535346.db2.gz MMEUPRZKBMPYOP-KRWDZBQOSA-N 0 0 439.921 2.528 50 0 IFAARN CC(=O)Nc1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl ZINC000009444311 569535769 /nfs/dbraw/zinc/53/57/69/569535769.db2.gz OICSARAIPRFAMR-UHFFFAOYSA-N 0 0 434.905 2.897 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000009447831 569536059 /nfs/dbraw/zinc/53/60/59/569536059.db2.gz VQESOOXGLVTEOS-CYBMUJFWSA-N 0 0 438.553 2.955 50 0 IFAARN CC[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)n1cnc2ccccc2c1=O ZINC000009448537 569536134 /nfs/dbraw/zinc/53/61/34/569536134.db2.gz WVSOBYZAVVIGBC-KRWDZBQOSA-N 0 0 425.441 2.790 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCCC3)CC2=O)cc1 ZINC000009453677 569536603 /nfs/dbraw/zinc/53/66/03/569536603.db2.gz YQNYRUPFDOLVNH-REWPJTCUSA-N 0 0 449.551 2.788 50 0 IFAARN O=C(c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000009464024 569537587 /nfs/dbraw/zinc/53/75/87/569537587.db2.gz IMMQVXDEHMHZCF-FCHUYYIVSA-N 0 0 434.492 2.604 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)n1 ZINC000009465599 569537963 /nfs/dbraw/zinc/53/79/63/569537963.db2.gz YULCGZYRPBWRLW-XMMPIXPASA-N 0 0 443.511 2.962 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)n1 ZINC000009465602 569537974 /nfs/dbraw/zinc/53/79/74/569537974.db2.gz YULCGZYRPBWRLW-DEOSSOPVSA-N 0 0 443.511 2.962 50 0 IFAARN CCn1cnc2c1c(=O)n(CC(=O)Nc1c(C)cccc1C)c(=O)n2Cc1ccccc1 ZINC000009466593 569538185 /nfs/dbraw/zinc/53/81/85/569538185.db2.gz KQCAWSUHXIWTAZ-UHFFFAOYSA-N 0 0 431.496 2.683 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)OCO2 ZINC000009467173 569538322 /nfs/dbraw/zinc/53/83/22/569538322.db2.gz RRRQYCPYGICZNH-KRWDZBQOSA-N 0 0 434.445 2.549 50 0 IFAARN O=C(c1cc(=O)c2ccccc2o1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000009468150 569538602 /nfs/dbraw/zinc/53/86/02/569538602.db2.gz QOVLACYRYSLQMQ-UHFFFAOYSA-N 0 0 438.914 2.655 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1cccnc1)c1ccc2c(c1)OCO2 ZINC000009469468 569538816 /nfs/dbraw/zinc/53/88/16/569538816.db2.gz LQWSOJUZPDPOFW-UHFFFAOYSA-N 0 0 426.450 2.977 50 0 IFAARN O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)N1CCc2ccccc2C1 ZINC000009480989 569539436 /nfs/dbraw/zinc/53/94/36/569539436.db2.gz BQKOXBXCZFWTTA-UHFFFAOYSA-N 0 0 449.580 2.840 50 0 IFAARN COC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000009479939 569539442 /nfs/dbraw/zinc/53/94/42/569539442.db2.gz VYTBJNSTRSCZJF-UHFFFAOYSA-N 0 0 430.404 2.799 50 0 IFAARN Cc1ccc(-c2nn3c(nnc3C(C)C)c3ccccc32)cc1S(=O)(=O)N(C)CCO ZINC000009487336 569539696 /nfs/dbraw/zinc/53/96/96/569539696.db2.gz IQFCLUKFKKJFLT-UHFFFAOYSA-N 0 0 439.541 2.989 50 0 IFAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(C)cc3)c2)CC1 ZINC000009490523 569540205 /nfs/dbraw/zinc/54/02/05/569540205.db2.gz JRSPLMAGFMZUAQ-UHFFFAOYSA-N 0 0 449.504 2.849 50 0 IFAARN COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000009491597 569540367 /nfs/dbraw/zinc/54/03/67/569540367.db2.gz RMWKUVANUZHDGX-OALUTQOASA-N 0 0 446.569 2.773 50 0 IFAARN Cc1csc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1 ZINC000009491937 569540478 /nfs/dbraw/zinc/54/04/78/569540478.db2.gz MRFULMBDTMQWSZ-UHFFFAOYSA-N 0 0 427.573 2.512 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cc(=O)c3ccccc3o2)NC(=O)N[C@H]1c1ccccc1 ZINC000009492194 569540527 /nfs/dbraw/zinc/54/05/27/569540527.db2.gz JXTUAJKZXVZAHI-NRFANRHFSA-N 0 0 448.431 2.821 50 0 IFAARN O=C(Cn1c(CO)nc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000009492547 569540608 /nfs/dbraw/zinc/54/06/08/569540608.db2.gz AEQHQYWTEQMHMV-UHFFFAOYSA-N 0 0 442.541 2.732 50 0 IFAARN CSCC[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000009493135 569540667 /nfs/dbraw/zinc/54/06/67/569540667.db2.gz ZAOFOYZBBQVNPJ-HXUWFJFHSA-N 0 0 441.528 2.892 50 0 IFAARN C[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)C(=O)N(C)c1ccccc1 ZINC000009493296 569540707 /nfs/dbraw/zinc/54/07/07/569540707.db2.gz YTJHNDHSPUYQAH-OAHLLOKOSA-N 0 0 438.933 2.791 50 0 IFAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCCCn2ccnc2)c1 ZINC000009493302 569540742 /nfs/dbraw/zinc/54/07/42/569540742.db2.gz GRSSVVDABZLXFO-UHFFFAOYSA-N 0 0 442.541 2.845 50 0 IFAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009495255 569540967 /nfs/dbraw/zinc/54/09/67/569540967.db2.gz UGBLBUIWPQHUAO-KRWDZBQOSA-N 0 0 425.416 2.777 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000009497908 569541306 /nfs/dbraw/zinc/54/13/06/569541306.db2.gz ABLHDOFKYOYOFY-GYCJOSAFSA-N 0 0 434.496 2.694 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000009500504 569541570 /nfs/dbraw/zinc/54/15/70/569541570.db2.gz RVSWULHQRRABIR-UWJYYQICSA-N 0 0 440.993 2.894 50 0 IFAARN CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)Oc1ccccc1 ZINC000009501923 569541657 /nfs/dbraw/zinc/54/16/57/569541657.db2.gz UWTQEHGXDSUCSJ-SFHVURJKSA-N 0 0 438.933 2.950 50 0 IFAARN C[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccnc4)n3C)c2C(N)=O)C1 ZINC000009507033 569541878 /nfs/dbraw/zinc/54/18/78/569541878.db2.gz IRMMSGMCAHPRAM-NSHDSACASA-N 0 0 442.570 2.893 50 0 IFAARN O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009507357 569542020 /nfs/dbraw/zinc/54/20/20/569542020.db2.gz ABTIULGPMDGCDO-UHFFFAOYSA-N 0 0 428.466 2.711 50 0 IFAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)COC(=O)c1cc2c(s1)CCC2 ZINC000009508622 569542371 /nfs/dbraw/zinc/54/23/71/569542371.db2.gz YQJOJZWMQPZOPQ-UHFFFAOYSA-N 0 0 436.511 2.678 50 0 IFAARN CCCn1c2nc(C(C)C)nc(SCC(=O)Nc3ccccc3)c2c(=O)n(C)c1=O ZINC000009509537 569542547 /nfs/dbraw/zinc/54/25/47/569542547.db2.gz PNYBDPHNNZTBOB-UHFFFAOYSA-N 0 0 427.530 2.754 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009512182 569542941 /nfs/dbraw/zinc/54/29/41/569542941.db2.gz FPFFSYZSBKWQPG-CYBMUJFWSA-N 0 0 435.274 2.907 50 0 IFAARN O=c1cc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)nc2sccn21 ZINC000009514067 569543150 /nfs/dbraw/zinc/54/31/50/569543150.db2.gz FKJMDFDPGUMKQB-UHFFFAOYSA-N 0 0 440.554 2.525 50 0 IFAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1ccc(F)cc1 ZINC000009515128 569543349 /nfs/dbraw/zinc/54/33/49/569543349.db2.gz IJMCEPAVRLXNNT-UHFFFAOYSA-N 0 0 438.908 2.975 50 0 IFAARN CCCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000009516818 569543526 /nfs/dbraw/zinc/54/35/26/569543526.db2.gz XBDHEJJKBDFMKD-GFCCVEGCSA-N 0 0 441.912 2.924 50 0 IFAARN CCOc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1S(C)(=O)=O ZINC000009517134 569543583 /nfs/dbraw/zinc/54/35/83/569543583.db2.gz LUCOZOCCMPSAKG-GOSISDBHSA-N 0 0 437.543 2.568 50 0 IFAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCNC(=O)C1)C(c1ccccc1)c1ccccc1 ZINC000009516861 569543586 /nfs/dbraw/zinc/54/35/86/569543586.db2.gz NCNRHPKAMMLPCH-HSZRJFAPSA-N 0 0 441.531 2.504 50 0 IFAARN Cn1c(=O)c2c(SCC(=O)c3ccccc3)nc(-c3cccc(F)c3)nc2n(C)c1=O ZINC000009517605 569543705 /nfs/dbraw/zinc/54/37/05/569543705.db2.gz NOKISNMPPCPWGU-UHFFFAOYSA-N 0 0 436.468 2.808 50 0 IFAARN Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(F)cc3)c(=O)[nH]2)c1 ZINC000009518048 569543840 /nfs/dbraw/zinc/54/38/40/569543840.db2.gz JSNBKNKFMLIGIG-UHFFFAOYSA-N 0 0 427.461 2.783 50 0 IFAARN Nc1nc(SCC(=O)Nc2cccc(F)c2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518053 569543883 /nfs/dbraw/zinc/54/38/83/569543883.db2.gz IOLDDUYWQBWVLJ-UHFFFAOYSA-N 0 0 431.424 2.613 50 0 IFAARN Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4CCc3ccccc3)n(C)c2=O)c1 ZINC000009519131 569544234 /nfs/dbraw/zinc/54/42/34/569544234.db2.gz SROQKGDFUQCJFG-LJQANCHMSA-N 0 0 443.551 2.952 50 0 IFAARN Cc1cccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)c1 ZINC000009519617 569544286 /nfs/dbraw/zinc/54/42/86/569544286.db2.gz PPGNSUDZKBITQE-UHFFFAOYSA-N 0 0 439.537 2.985 50 0 IFAARN Cc1ccccc1-n1ncc2c1nc(SCC(=O)NCc1ccc3c(c1)OCO3)[nH]c2=O ZINC000009522209 569544449 /nfs/dbraw/zinc/54/44/49/569544449.db2.gz JBKQICPSDQBGPZ-UHFFFAOYSA-N 0 0 449.492 2.967 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN1CCC2(CC1)N=C(c1ccccc1)C(=O)N2 ZINC000009526713 569544484 /nfs/dbraw/zinc/54/44/84/569544484.db2.gz XJQAPGYOPLAETC-UHFFFAOYSA-N 0 0 426.904 2.698 50 0 IFAARN COc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)cc1 ZINC000009526866 569544546 /nfs/dbraw/zinc/54/45/46/569544546.db2.gz VPGPFOSQRCCGFL-UHFFFAOYSA-N 0 0 426.904 2.698 50 0 IFAARN O=C(NCCc1ccccc1Cl)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009529872 569544971 /nfs/dbraw/zinc/54/49/71/569544971.db2.gz KPGXVVZPLVPKJQ-MSOLQXFVSA-N 0 0 449.985 2.993 50 0 IFAARN COc1cc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC ZINC000009531307 569545172 /nfs/dbraw/zinc/54/51/72/569545172.db2.gz XODUPHRYWBRZQL-INIZCTEOSA-N 0 0 427.457 2.552 50 0 IFAARN COc1ccc(Cn2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000009533257 569545400 /nfs/dbraw/zinc/54/54/00/569545400.db2.gz UWDOFSMIBPFBAS-CQSZACIVSA-N 0 0 438.513 2.586 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)=O)cc3)C2)cc1 ZINC000009547828 569546420 /nfs/dbraw/zinc/54/64/20/569546420.db2.gz MAWVZQVYLFQARL-GOSISDBHSA-N 0 0 443.525 2.887 50 0 IFAARN O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000009549227 569546599 /nfs/dbraw/zinc/54/65/99/569546599.db2.gz GJSNLQRMARRXJS-IBGZPJMESA-N 0 0 431.489 2.510 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2cccs2)cc1 ZINC000009559450 569546979 /nfs/dbraw/zinc/54/69/79/569546979.db2.gz XRYLBSDOKIOKFA-OAHLLOKOSA-N 0 0 442.584 2.964 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21 ZINC000009560775 569547126 /nfs/dbraw/zinc/54/71/26/569547126.db2.gz JWEBDJLTVHRKKR-UHFFFAOYSA-N 0 0 440.525 2.584 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)CC1 ZINC000009562885 569547377 /nfs/dbraw/zinc/54/73/77/569547377.db2.gz ZQRQQUCYRXPKCU-UHFFFAOYSA-N 0 0 431.514 2.710 50 0 IFAARN COc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3ccc(F)cc3)nn12 ZINC000009569006 569547523 /nfs/dbraw/zinc/54/75/23/569547523.db2.gz LUWGUGUQAOLUHD-UHFFFAOYSA-N 0 0 439.472 2.903 50 0 IFAARN CN(CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)S(=O)(=O)c1cccs1 ZINC000009577624 569548211 /nfs/dbraw/zinc/54/82/11/569548211.db2.gz VBTXSJOBWQRPJM-UHFFFAOYSA-N 0 0 445.570 2.992 50 0 IFAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1nnc2ccccn21 ZINC000009578602 569548324 /nfs/dbraw/zinc/54/83/24/569548324.db2.gz ZZCFSCJWPIEGHK-INIZCTEOSA-N 0 0 447.520 2.972 50 0 IFAARN O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)OCc1ccccc1 ZINC000009578414 569548336 /nfs/dbraw/zinc/54/83/36/569548336.db2.gz LJKVVJGYERNECO-UHFFFAOYSA-N 0 0 447.520 2.932 50 0 IFAARN CCOC(=O)[C@@H](CC)Sc1ccc2nnc(CCNC(=O)c3ccc(OC)cc3)n2n1 ZINC000009578659 569548387 /nfs/dbraw/zinc/54/83/87/569548387.db2.gz SPUOLPJYBXSMBF-MRXNPFEDSA-N 0 0 443.529 2.539 50 0 IFAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCc1ccc(N3CCCC3=O)cc1)C2=O ZINC000009579051 569548453 /nfs/dbraw/zinc/54/84/53/569548453.db2.gz WIYDWXIGYQZYDP-GYCJOSAFSA-N 0 0 440.544 2.566 50 0 IFAARN O=C(CSc1nnc(Cc2ccccc2)o1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000009579172 569548455 /nfs/dbraw/zinc/54/84/55/569548455.db2.gz MZAXUTKEXWOWEA-QGZVFWFLSA-N 0 0 435.571 2.711 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1)N1CCCCCC1 ZINC000009579389 569548519 /nfs/dbraw/zinc/54/85/19/569548519.db2.gz ADQJEWXJAQVAKY-UHFFFAOYSA-N 0 0 433.574 2.617 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)NCc4nc5ccccc5[nH]4)C3)ncn2)n1 ZINC000070638191 569549035 /nfs/dbraw/zinc/54/90/35/569549035.db2.gz CVCWLJOQEPLCKN-QGZVFWFLSA-N 0 0 430.516 2.688 50 0 IFAARN Cc1cc(OCC(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)cc(C)c1Cl ZINC000070641073 569549052 /nfs/dbraw/zinc/54/90/52/569549052.db2.gz XBRSGIDDZUICEW-UHFFFAOYSA-N 0 0 426.908 2.660 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000009580962 569549092 /nfs/dbraw/zinc/54/90/92/569549092.db2.gz DEVJXJCATDSWCT-UHFFFAOYSA-N 0 0 432.395 2.825 50 0 IFAARN COc1ccc(NC(=O)CSc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000009584543 569549362 /nfs/dbraw/zinc/54/93/62/569549362.db2.gz TUBLTDIIGNXSIX-UHFFFAOYSA-N 0 0 436.555 2.755 50 0 IFAARN CCOC(=O)c1cc(CC)sc1NC(=O)CNc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009584363 569549391 /nfs/dbraw/zinc/54/93/91/569549391.db2.gz AKBFCGYZTQCMJA-UHFFFAOYSA-N 0 0 439.559 2.788 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000009589946 569549985 /nfs/dbraw/zinc/54/99/85/569549985.db2.gz RSLIONRSLMAXHV-KSSFIOAISA-N 0 0 435.480 2.775 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)ncn2)n1 ZINC000070656054 569550135 /nfs/dbraw/zinc/55/01/35/569550135.db2.gz VGQNCHDMAWJWMR-KRWDZBQOSA-N 0 0 434.500 2.905 50 0 IFAARN Cc1c(NC(=O)[C@H](C)Sc2nnc3n2CCCCC3)c(=O)n(-c2ccccc2)n1C ZINC000009592976 569550436 /nfs/dbraw/zinc/55/04/36/569550436.db2.gz OBMARVXIJBBQGZ-HNNXBMFYSA-N 0 0 426.546 2.922 50 0 IFAARN O=C(c1ccc(-n2cccn2)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000009593557 569550441 /nfs/dbraw/zinc/55/04/41/569550441.db2.gz ADNSXKPVHSFQTD-LJQANCHMSA-N 0 0 429.480 2.930 50 0 IFAARN COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000009593879 569550526 /nfs/dbraw/zinc/55/05/26/569550526.db2.gz DARISZRBMUOEPA-OALUTQOASA-N 0 0 437.525 2.572 50 0 IFAARN COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCOCC2)cc1 ZINC000009593874 569550547 /nfs/dbraw/zinc/55/05/47/569550547.db2.gz DARISZRBMUOEPA-RBUKOAKNSA-N 0 0 437.525 2.572 50 0 IFAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000009594877 569550646 /nfs/dbraw/zinc/55/06/46/569550646.db2.gz QJGLCVBYTDMXAH-QFIPXVFZSA-N 0 0 437.456 2.535 50 0 IFAARN COc1cccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NC3CCCC3)c2=O)c1 ZINC000009599021 569551132 /nfs/dbraw/zinc/55/11/32/569551132.db2.gz TWPZSDHPCMNYNK-UHFFFAOYSA-N 0 0 427.526 2.898 50 0 IFAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nc(N)n[nH]1)CC2 ZINC000009607298 569552017 /nfs/dbraw/zinc/55/20/17/569552017.db2.gz NSBDUUYWAJNHLF-IBGZPJMESA-N 0 0 425.514 2.671 50 0 IFAARN O=C(NCc1ccco1)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009608235 569552100 /nfs/dbraw/zinc/55/21/00/569552100.db2.gz DANSSQYZJGLRDM-UHFFFAOYSA-N 0 0 434.543 2.685 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000009608501 569552148 /nfs/dbraw/zinc/55/21/48/569552148.db2.gz ATAILWRYOSXJJM-MYYSRTQBSA-N 0 0 435.480 2.593 50 0 IFAARN COc1cccc(NC(=O)c2nnn(Cc3cc(Br)ccc3OC)c2N)c1 ZINC000009608672 569552173 /nfs/dbraw/zinc/55/21/73/569552173.db2.gz MTPYSLVTTRNCRU-UHFFFAOYSA-N 0 0 432.278 2.941 50 0 IFAARN COc1ccc(CNC(=O)c2nnn(Cc3cc(Br)ccc3OC)c2N)cc1 ZINC000009608704 569552196 /nfs/dbraw/zinc/55/21/96/569552196.db2.gz LLRQLHNRFQNUKI-UHFFFAOYSA-N 0 0 446.305 2.618 50 0 IFAARN Cc1nc2c(c(C)c1CCC(=O)N1CCC[C@@H](c3ccccc3)C1)c(=O)n(C)c(=O)n2C ZINC000009610423 569552532 /nfs/dbraw/zinc/55/25/32/569552532.db2.gz NNRLWCKBMXPRFX-LJQANCHMSA-N 0 0 434.540 2.588 50 0 IFAARN Cc1cccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCOCC2)c1C ZINC000009611579 569552775 /nfs/dbraw/zinc/55/27/75/569552775.db2.gz ILKMYUKVGRQWBQ-UHFFFAOYSA-N 0 0 425.558 2.764 50 0 IFAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)cc1 ZINC000009629835 569553625 /nfs/dbraw/zinc/55/36/25/569553625.db2.gz LWSDTHPINCPRME-UHFFFAOYSA-N 0 0 449.598 2.724 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cccnc2OCC)NC(=O)N[C@@H]1c1ccccc1 ZINC000009630388 569553678 /nfs/dbraw/zinc/55/36/78/569553678.db2.gz LYWNBSVTOPLWCN-GOSISDBHSA-N 0 0 425.441 2.508 50 0 IFAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)NC(=O)NCCOC)cc1 ZINC000009635298 569554624 /nfs/dbraw/zinc/55/46/24/569554624.db2.gz YBFSQHYDFWSGQK-UHFFFAOYSA-N 0 0 428.514 2.989 50 0 IFAARN CCc1ccccc1Nc1nc(N)nc(COC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1 ZINC000009635507 569554706 /nfs/dbraw/zinc/55/47/06/569554706.db2.gz NMBBGPBWGSKOLH-UHFFFAOYSA-N 0 0 448.405 2.684 50 0 IFAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 ZINC000009637063 569554815 /nfs/dbraw/zinc/55/48/15/569554815.db2.gz RZTGLIOOBLQUQU-XXBNENTESA-N 0 0 437.521 2.854 50 0 IFAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccc(Br)s3)c2C(N)=O)C1 ZINC000009639442 569555196 /nfs/dbraw/zinc/55/51/96/569555196.db2.gz OKPVUUGRNPAWAN-UHFFFAOYSA-N 0 0 428.333 2.828 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2c(C)onc2-c2ccccc2Cl)NC(=O)N[C@H]1C ZINC000009639807 569555239 /nfs/dbraw/zinc/55/52/39/569555239.db2.gz CGROAEBOTCBSMK-JTQLQIEISA-N 0 0 433.848 2.979 50 0 IFAARN CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Br)s2)NC(=O)N1C1CC1 ZINC000009723886 569563587 /nfs/dbraw/zinc/56/35/87/569563587.db2.gz WQEPWGUUWLREJM-OAHLLOKOSA-N 0 0 426.336 2.872 50 0 IFAARN O=S(=O)(c1ccc(OCCOc2ccc(Br)cc2)cc1)N1CCOCC1 ZINC000009641225 569555678 /nfs/dbraw/zinc/55/56/78/569555678.db2.gz DPVHINNLXXVNRO-UHFFFAOYSA-N 0 0 442.331 2.928 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCN(C(=O)NC3CCCC3)CC2)ccc1Br ZINC000009642148 569555800 /nfs/dbraw/zinc/55/58/00/569555800.db2.gz SBSMOOSPWWZTLM-UHFFFAOYSA-N 0 0 430.368 2.716 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3cc(C(C)(C)C)no3)CC2)cc1 ZINC000009645801 569556153 /nfs/dbraw/zinc/55/61/53/569556153.db2.gz KZSUNFQZUYDPEE-UHFFFAOYSA-N 0 0 434.562 2.616 50 0 IFAARN Cc1cc(F)ccc1NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009645936 569556205 /nfs/dbraw/zinc/55/62/05/569556205.db2.gz GBJZTXZBARBPTD-UHFFFAOYSA-N 0 0 447.488 2.855 50 0 IFAARN Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)n2n1 ZINC000009647348 569556433 /nfs/dbraw/zinc/55/64/33/569556433.db2.gz VXFHPEZEGSNUKO-DOTOQJQBSA-N 0 0 444.582 2.797 50 0 IFAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000009660373 569556726 /nfs/dbraw/zinc/55/67/26/569556726.db2.gz JRXHJDGPLSYCPK-INIZCTEOSA-N 0 0 434.500 2.517 50 0 IFAARN Cc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)cc1 ZINC000009660647 569556858 /nfs/dbraw/zinc/55/68/58/569556858.db2.gz UFEUBCCSGDFQEW-UHFFFAOYSA-N 0 0 436.418 2.832 50 0 IFAARN Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)no1 ZINC000009664127 569557361 /nfs/dbraw/zinc/55/73/61/569557361.db2.gz URMJNWKXYCJGRU-UHFFFAOYSA-N 0 0 429.454 2.604 50 0 IFAARN Cc1cc(C)n2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)nc2n1 ZINC000009665511 569557580 /nfs/dbraw/zinc/55/75/80/569557580.db2.gz MFJYDMDZQMGLMR-KBPBESRZSA-N 0 0 442.545 2.660 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000009667900 569557850 /nfs/dbraw/zinc/55/78/50/569557850.db2.gz CDMAXQMCFNKRTQ-NRFANRHFSA-N 0 0 437.521 2.622 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCc2ccc3c(c2)OCCO3)c1 ZINC000009671802 569558617 /nfs/dbraw/zinc/55/86/17/569558617.db2.gz SAISWZIWSZLTGS-KRWDZBQOSA-N 0 0 444.553 2.993 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000009671920 569558654 /nfs/dbraw/zinc/55/86/54/569558654.db2.gz WAEZIXYVDQXTBL-UHFFFAOYSA-N 0 0 436.493 2.758 50 0 IFAARN Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cn21 ZINC000009672252 569558716 /nfs/dbraw/zinc/55/87/16/569558716.db2.gz KMQVHJLQZNYPSF-HOTGVXAUSA-N 0 0 428.514 2.693 50 0 IFAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 ZINC000009672429 569558813 /nfs/dbraw/zinc/55/88/13/569558813.db2.gz HBQFMPNQXQGAAK-UHFFFAOYSA-N 0 0 449.540 2.716 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000009677169 569559519 /nfs/dbraw/zinc/55/95/19/569559519.db2.gz NOSLBADBQWAEFW-UHFFFAOYSA-N 0 0 444.509 2.575 50 0 IFAARN COc1cc2c(cc1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)oc1ccccc12 ZINC000009677304 569559524 /nfs/dbraw/zinc/55/95/24/569559524.db2.gz RBHBVZSLEYJWOO-UHFFFAOYSA-N 0 0 444.241 2.846 50 0 IFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3F)C2)c1 ZINC000009677759 569559585 /nfs/dbraw/zinc/55/95/85/569559585.db2.gz BBNORZNVJHKBGP-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009677441 569559590 /nfs/dbraw/zinc/55/95/90/569559590.db2.gz UPDWIKIEYYMVAH-UHFFFAOYSA-N 0 0 434.518 2.548 50 0 IFAARN COCCNC(=O)c1cnc2ccc(S(=O)(=O)Nc3ccc(C(C)C)cc3)cc2c1O ZINC000009680196 569560019 /nfs/dbraw/zinc/56/00/19/569560019.db2.gz BFKIALJYKZHEDH-UHFFFAOYSA-N 0 0 443.525 2.829 50 0 IFAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000009683860 569560423 /nfs/dbraw/zinc/56/04/23/569560423.db2.gz UDSCJWFQWBZSQI-UHFFFAOYSA-N 0 0 436.511 2.579 50 0 IFAARN O=C(OCCSc1ccccc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009684757 569560568 /nfs/dbraw/zinc/56/05/68/569560568.db2.gz HRYLAYORGJPNFJ-UHFFFAOYSA-N 0 0 425.503 2.796 50 0 IFAARN Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccc(C)cc2Cl)c(C)n1C ZINC000009685215 569560652 /nfs/dbraw/zinc/56/06/52/569560652.db2.gz QYJXGHKVFZTAHE-UHFFFAOYSA-N 0 0 425.938 2.877 50 0 IFAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)NC3CCCC3)c3nc(C)ccc3c2=O)cc1 ZINC000009689225 569560883 /nfs/dbraw/zinc/56/08/83/569560883.db2.gz YANBBGLRDCNTJJ-UHFFFAOYSA-N 0 0 439.537 2.905 50 0 IFAARN Cc1csc2nc(COC(=O)[C@H](NC(=O)c3c(F)cccc3F)C(C)C)cc(=O)n12 ZINC000009690677 569560932 /nfs/dbraw/zinc/56/09/32/569560932.db2.gz KVQJNGKQYYVTFA-QGZVFWFLSA-N 0 0 435.452 2.840 50 0 IFAARN O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)NC1CCCCCC1 ZINC000009691297 569560984 /nfs/dbraw/zinc/56/09/84/569560984.db2.gz OJRROPOSJRXTBG-UHFFFAOYSA-N 0 0 440.537 2.996 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)ccc21 ZINC000009692207 569561064 /nfs/dbraw/zinc/56/10/64/569561064.db2.gz ONZKFZHMEIZVDG-LJQANCHMSA-N 0 0 437.606 2.841 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccccc1)=NN3Cc1cccc(Cl)c1 ZINC000009707478 569561525 /nfs/dbraw/zinc/56/15/25/569561525.db2.gz BEIUYYGOXXUGRV-UHFFFAOYSA-N 0 0 434.887 2.512 50 0 IFAARN COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000070901128 569562036 /nfs/dbraw/zinc/56/20/36/569562036.db2.gz CLMQCYVEDKWLMZ-UHFFFAOYSA-N 0 0 436.468 2.586 50 0 IFAARN CCc1ccccc1-n1c(-c2ccccc2)cn2c3c(nc21)n(C)c(=O)n(CCCO)c3=O ZINC000009713277 569562569 /nfs/dbraw/zinc/56/25/69/569562569.db2.gz XTIKTYJIBBOMPS-UHFFFAOYSA-N 0 0 443.507 2.750 50 0 IFAARN COc1ccc(NC(=O)C(=O)NCCSc2nc(-c3ccccc3)c[nH]2)cc1OC ZINC000009713931 569562691 /nfs/dbraw/zinc/56/26/91/569562691.db2.gz XSGOSIYLDFYXFM-UHFFFAOYSA-N 0 0 426.498 2.941 50 0 IFAARN O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)N1CCCCC1 ZINC000009714155 569562803 /nfs/dbraw/zinc/56/28/03/569562803.db2.gz BMUAUFIDYGUNBU-UHFFFAOYSA-N 0 0 435.528 2.536 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1cn2ccsc2n1 ZINC000009715216 569563024 /nfs/dbraw/zinc/56/30/24/569563024.db2.gz CZJFRHYYDISXCT-UHFFFAOYSA-N 0 0 434.543 2.760 50 0 IFAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1OC ZINC000009715373 569563120 /nfs/dbraw/zinc/56/31/20/569563120.db2.gz UQAFZAQYFYJUCK-HUUCEWRRSA-N 0 0 434.514 2.754 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)c(C)c1 ZINC000070921668 569563314 /nfs/dbraw/zinc/56/33/14/569563314.db2.gz UGDCPCFLZGODRS-UHFFFAOYSA-N 0 0 444.557 2.569 50 0 IFAARN O=C(Cc1sc(N2CCCC2)nc1O)Nc1ccc(C(=O)NCCc2ccco2)cc1 ZINC000009725129 569563765 /nfs/dbraw/zinc/56/37/65/569563765.db2.gz WHTGNBRQASCIHN-SFHVURJKSA-N 0 0 440.525 2.675 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)N2CCCCCC2)cn3C)CC1 ZINC000009725162 569563797 /nfs/dbraw/zinc/56/37/97/569563797.db2.gz GRDHUWHWCNDIRK-UHFFFAOYSA-N 0 0 445.585 2.975 50 0 IFAARN COc1ccc(NC(=O)CN2CCCN(Cc3cccc(F)c3)S2(=O)=O)cc1Cl ZINC000009726672 569563951 /nfs/dbraw/zinc/56/39/51/569563951.db2.gz FDGRHQWKZKCPRC-UHFFFAOYSA-N 0 0 441.912 2.879 50 0 IFAARN CC(C)[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 ZINC000009727883 569564046 /nfs/dbraw/zinc/56/40/46/569564046.db2.gz PPRRLQOQRHGKKG-WIOPSUGQSA-N 0 0 449.507 2.665 50 0 IFAARN COc1cc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc(OC)c1OC ZINC000009730343 569564467 /nfs/dbraw/zinc/56/44/67/569564467.db2.gz SCKHUZDFAANDHD-XMHCIUCPSA-N 0 0 433.505 2.788 50 0 IFAARN COc1ccc(-n2c3nc(-c4ccc(Cl)cc4)nc(C(N)=O)c3[nH]c2=O)c(OC)c1 ZINC000009739201 569564944 /nfs/dbraw/zinc/56/49/44/569564944.db2.gz DYHLXGIDLOXKMV-UHFFFAOYSA-N 0 0 425.832 2.545 50 0 IFAARN COc1ccc(-n2c3nc(-c4cccc(Cl)c4)nc(C(N)=O)c3[nH]c2=O)c(OC)c1 ZINC000009739194 569564987 /nfs/dbraw/zinc/56/49/87/569564987.db2.gz SIDCRPZANRTAJF-UHFFFAOYSA-N 0 0 425.832 2.545 50 0 IFAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000009740159 569565118 /nfs/dbraw/zinc/56/51/18/569565118.db2.gz PMVSCKWXVSUUKI-LJQANCHMSA-N 0 0 446.912 2.881 50 0 IFAARN Cc1cccc(C)c1NC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009743499 569565503 /nfs/dbraw/zinc/56/55/03/569565503.db2.gz JIVAZZZDMNWWQU-LJQANCHMSA-N 0 0 443.569 2.992 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009743813 569565538 /nfs/dbraw/zinc/56/55/38/569565538.db2.gz FBYKGCBRUIRRKZ-IBGZPJMESA-N 0 0 447.532 2.822 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2cccc(F)c2)cc1 ZINC000009745031 569565646 /nfs/dbraw/zinc/56/56/46/569565646.db2.gz YKKBKBQQUIRKJB-LJQANCHMSA-N 0 0 447.532 2.822 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC2CCCCCC2)cc1 ZINC000009745141 569565663 /nfs/dbraw/zinc/56/56/63/569565663.db2.gz CCGBFMKABAZRBJ-FQEVSTJZSA-N 0 0 449.617 2.884 50 0 IFAARN COC(=O)c1ccc(NC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)cc1 ZINC000009748931 569565940 /nfs/dbraw/zinc/56/59/40/569565940.db2.gz UTWIAWHMRUIXIN-UHFFFAOYSA-N 0 0 430.262 2.710 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1cccc(C(C)=O)c1 ZINC000009761874 569566346 /nfs/dbraw/zinc/56/63/46/569566346.db2.gz JHYKFWNVHCQVSH-UHFFFAOYSA-N 0 0 449.463 2.938 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)NCc1ccc(F)cc1 ZINC000009761856 569566369 /nfs/dbraw/zinc/56/63/69/569566369.db2.gz HIPHKLPHZIFVPR-UHFFFAOYSA-N 0 0 439.443 2.552 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1cccc(C(C)=O)c1 ZINC000009761873 569566384 /nfs/dbraw/zinc/56/63/84/569566384.db2.gz JPQQDPPCLWVNEN-UHFFFAOYSA-N 0 0 449.463 2.938 50 0 IFAARN O=C(NC1CCCC1)c1nnn(-c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1 ZINC000071003528 569566552 /nfs/dbraw/zinc/56/65/52/569566552.db2.gz VXVQMUWGRCNZAQ-CCEZHUSRSA-N 0 0 438.513 2.747 50 0 IFAARN CCOC(=O)C1CCN(C(=O)/C(=C\c2ccc(OC)c(OC)c2)n2ccccc2=O)CC1 ZINC000009763569 569566635 /nfs/dbraw/zinc/56/66/35/569566635.db2.gz CMFHOZAXZQZLQO-XDJHFCHBSA-N 0 0 440.496 2.665 50 0 IFAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000009765067 569566781 /nfs/dbraw/zinc/56/67/81/569566781.db2.gz RNDWVAPGFMOPFT-UHFFFAOYSA-N 0 0 441.465 2.987 50 0 IFAARN Cc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000009775669 569567021 /nfs/dbraw/zinc/56/70/21/569567021.db2.gz MQGOCMVZZXFGKH-UHFFFAOYSA-N 0 0 436.287 2.992 50 0 IFAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(C)n1Cc1ccco1 ZINC000009779267 569567372 /nfs/dbraw/zinc/56/73/72/569567372.db2.gz WVMDYHYMFOWMMH-UHFFFAOYSA-N 0 0 425.466 2.981 50 0 IFAARN O=C(CN1c2ccccc2OCCC1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009779098 569567374 /nfs/dbraw/zinc/56/73/74/569567374.db2.gz HDJPFYJCPWLPJC-UHFFFAOYSA-N 0 0 443.525 2.615 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)Cc2ccco2)cc1 ZINC000009783452 569567857 /nfs/dbraw/zinc/56/78/57/569567857.db2.gz IHGZUOBZLJIHDM-UHFFFAOYSA-N 0 0 440.481 2.587 50 0 IFAARN Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cs2)cc1 ZINC000009784823 569567887 /nfs/dbraw/zinc/56/78/87/569567887.db2.gz GRUSQNOKWFNSDK-UHFFFAOYSA-N 0 0 445.526 2.924 50 0 IFAARN C[C@@H](C(=O)NCCN1C(=O)CSC1=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009788826 569567977 /nfs/dbraw/zinc/56/79/77/569567977.db2.gz KWQZCSADZVRBAH-ZDUSSCGKSA-N 0 0 432.571 2.676 50 0 IFAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000009789175 569568072 /nfs/dbraw/zinc/56/80/72/569568072.db2.gz RNFUFTDWKYMPTE-IBGZPJMESA-N 0 0 443.525 2.523 50 0 IFAARN CCCCn1c(COC(=O)c2ccc3c(c2)OCO3)nc2cc(S(N)(=O)=O)ccc21 ZINC000009791310 569568208 /nfs/dbraw/zinc/56/82/08/569568208.db2.gz GVOTZTBXPQSJCR-UHFFFAOYSA-N 0 0 431.470 2.570 50 0 IFAARN CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1 ZINC000009797835 569568474 /nfs/dbraw/zinc/56/84/74/569568474.db2.gz VVMAQNLSTRIKHM-CQSZACIVSA-N 0 0 447.509 2.963 50 0 IFAARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCC(=O)N1CCOCC1 ZINC000009799666 569568598 /nfs/dbraw/zinc/56/85/98/569568598.db2.gz RSKJLAZZLKVDSU-HSZRJFAPSA-N 0 0 437.496 2.662 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2Cl)cc1 ZINC000009806269 569568877 /nfs/dbraw/zinc/56/88/77/569568877.db2.gz IWKGFNBLLAJZIW-HNNXBMFYSA-N 0 0 435.933 2.556 50 0 IFAARN COc1cc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000009806162 569568907 /nfs/dbraw/zinc/56/89/07/569568907.db2.gz XNSANHSZTMOTDZ-QGZVFWFLSA-N 0 0 448.541 2.604 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000009806145 569568912 /nfs/dbraw/zinc/56/89/12/569568912.db2.gz UQRLAOXMUYAHNU-QGZVFWFLSA-N 0 0 435.933 2.556 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000009807444 569568985 /nfs/dbraw/zinc/56/89/85/569568985.db2.gz BLTVGYJRCPLHQK-HXUWFJFHSA-N 0 0 443.569 2.828 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(C)c2C)c1 ZINC000009807391 569568995 /nfs/dbraw/zinc/56/89/95/569568995.db2.gz HTLZNPMWVQLQAJ-LJQANCHMSA-N 0 0 443.569 2.828 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(Cl)c2)c1 ZINC000009807139 569569011 /nfs/dbraw/zinc/56/90/11/569569011.db2.gz ZVJYBCUMHMZNSE-SFHVURJKSA-N 0 0 449.960 2.865 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000009807127 569569016 /nfs/dbraw/zinc/56/90/16/569569016.db2.gz RYPMFIJYTXVMTN-IBGZPJMESA-N 0 0 429.542 2.520 50 0 IFAARN O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000009812904 569569125 /nfs/dbraw/zinc/56/91/25/569569125.db2.gz IAFSWYIYNIZFTI-UHFFFAOYSA-N 0 0 448.504 2.597 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc3c(s2)-c2ccccc2CC3)c1 ZINC000009813949 569569141 /nfs/dbraw/zinc/56/91/41/569569141.db2.gz DQAINGNSQKYXQX-UHFFFAOYSA-N 0 0 442.518 2.957 50 0 IFAARN CC(C)S(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc(S(C)(=O)=O)cc3)o2)c1 ZINC000009815100 569569235 /nfs/dbraw/zinc/56/92/35/569569235.db2.gz DEPNHYHCDMJUJC-UHFFFAOYSA-N 0 0 449.510 2.575 50 0 IFAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O ZINC000009816378 569569268 /nfs/dbraw/zinc/56/92/68/569569268.db2.gz IMYNIEMNBKQAGE-OAQYLSRUSA-N 0 0 429.860 2.907 50 0 IFAARN Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)cc1 ZINC000009823422 569569562 /nfs/dbraw/zinc/56/95/62/569569562.db2.gz PCDJWODIEGMPBL-HXUWFJFHSA-N 0 0 430.302 2.841 50 0 IFAARN CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n21 ZINC000009829359 569570059 /nfs/dbraw/zinc/57/00/59/569570059.db2.gz WRSYEEIUQPQNHS-UHFFFAOYSA-N 0 0 427.408 3.000 50 0 IFAARN Cc1cn2c3c(nc2n1-c1ccc(Br)cc1)n(C)c(=O)n(CC(C)C)c3=O ZINC000009829415 569570061 /nfs/dbraw/zinc/57/00/61/569570061.db2.gz SUNGDNALKWQZQI-UHFFFAOYSA-N 0 0 430.306 2.866 50 0 IFAARN COc1cccc(-n2c(C)cn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)c1 ZINC000009829382 569570067 /nfs/dbraw/zinc/57/00/67/569570067.db2.gz ATEJFCVZSPPVHI-UHFFFAOYSA-N 0 0 429.480 2.812 50 0 IFAARN COc1cccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1 ZINC000009829473 569570104 /nfs/dbraw/zinc/57/01/04/569570104.db2.gz FUCBYPIXNIPGJJ-UHFFFAOYSA-N 0 0 429.480 2.812 50 0 IFAARN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)CCC(=O)c1cc(C)sc1C ZINC000009842277 569570875 /nfs/dbraw/zinc/57/08/75/569570875.db2.gz FNPPBFRDHDCJGM-UHFFFAOYSA-N 0 0 446.525 2.943 50 0 IFAARN Cc1cc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)s1 ZINC000009841972 569570886 /nfs/dbraw/zinc/57/08/86/569570886.db2.gz UWPAOIRWKPUCOY-LBPRGKRZSA-N 0 0 438.527 2.546 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1 ZINC000009844508 569570893 /nfs/dbraw/zinc/57/08/93/569570893.db2.gz SKLOMTQYZNSGDF-UHFFFAOYSA-N 0 0 427.526 2.823 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1 ZINC000009844559 569570896 /nfs/dbraw/zinc/57/08/96/569570896.db2.gz RAYDPAIBUDCUAJ-UHFFFAOYSA-N 0 0 449.916 2.559 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C)cc(C)c3)n2)cc1 ZINC000009844838 569570959 /nfs/dbraw/zinc/57/09/59/569570959.db2.gz RYQOHLKSYNOBLD-UHFFFAOYSA-N 0 0 427.526 2.904 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccccc3Cl)n2)cc1 ZINC000009844817 569570973 /nfs/dbraw/zinc/57/09/73/569570973.db2.gz JXMHPWYTYDFLSI-UHFFFAOYSA-N 0 0 433.917 2.941 50 0 IFAARN COc1ccccc1OC[C@@H](O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000009851303 569571427 /nfs/dbraw/zinc/57/14/27/569571427.db2.gz ONVSBGUCGSWBEM-AWEZNQCLSA-N 0 0 430.320 2.518 50 0 IFAARN COc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)c(OC)c1 ZINC000009852953 569571436 /nfs/dbraw/zinc/57/14/36/569571436.db2.gz CKOHQOZQNVTXSY-UHFFFAOYSA-N 0 0 433.461 2.657 50 0 IFAARN C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000009854843 569571497 /nfs/dbraw/zinc/57/14/97/569571497.db2.gz JBIIZYLFFJPCNY-ZDUSSCGKSA-N 0 0 444.962 2.506 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1C ZINC000009856406 569571619 /nfs/dbraw/zinc/57/16/19/569571619.db2.gz XKZKYGLMHFEFGF-UHFFFAOYSA-N 0 0 443.525 2.788 50 0 IFAARN COc1cc(NC(=O)c2cccc(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)cc(OC)c1 ZINC000009860342 569571826 /nfs/dbraw/zinc/57/18/26/569571826.db2.gz QKCNHAZIYLQCIH-ZWKOTPCHSA-N 0 0 447.538 2.636 50 0 IFAARN Cc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1 ZINC000009860693 569571876 /nfs/dbraw/zinc/57/18/76/569571876.db2.gz JHMUMASOYFUPKC-UXHICEINSA-N 0 0 443.594 2.956 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cnc3ccccc3n2)NC(=O)N[C@@H]1c1ccccc1 ZINC000009865207 569572163 /nfs/dbraw/zinc/57/21/63/569572163.db2.gz SSZLIYRZVZBFMR-HXUWFJFHSA-N 0 0 432.436 2.658 50 0 IFAARN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000009865732 569572174 /nfs/dbraw/zinc/57/21/74/569572174.db2.gz PXLSCEDHVUJRSY-UHFFFAOYSA-N 0 0 433.464 2.786 50 0 IFAARN O=C(CSc1nnc(-c2cccs2)o1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000009866585 569572212 /nfs/dbraw/zinc/57/22/12/569572212.db2.gz OPIJFIYCVWSSGO-ZDUSSCGKSA-N 0 0 427.573 2.849 50 0 IFAARN C[C@@H](NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc2c(c1)OCO2 ZINC000009875388 569572633 /nfs/dbraw/zinc/57/26/33/569572633.db2.gz UWOQVQSIPSUNQO-CQSZACIVSA-N 0 0 449.554 2.564 50 0 IFAARN CC(=O)NCc1ccc(-c2csc(NC(=O)Cn3c(=O)cnc4ccccc43)n2)s1 ZINC000009875563 569572640 /nfs/dbraw/zinc/57/26/40/569572640.db2.gz FJGPMPYPCJVFDP-UHFFFAOYSA-N 0 0 439.522 2.856 50 0 IFAARN CC(=O)Nc1nonc1-c1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1 ZINC000009878493 569572729 /nfs/dbraw/zinc/57/27/29/569572729.db2.gz MEOTYQZWUCPMTL-UHFFFAOYSA-N 0 0 449.496 2.684 50 0 IFAARN CCCn1c2ccccc2nc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009885368 569572883 /nfs/dbraw/zinc/57/28/83/569572883.db2.gz KCUSCPZRCWGMSQ-UHFFFAOYSA-N 0 0 446.504 2.859 50 0 IFAARN COc1cc(C(=O)N[C@H](C)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc(OC)c1OC ZINC000009901303 569573047 /nfs/dbraw/zinc/57/30/47/569573047.db2.gz XXXDGXVZLMKOTL-CQSZACIVSA-N 0 0 437.496 2.897 50 0 IFAARN Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)c12 ZINC000009899647 569573064 /nfs/dbraw/zinc/57/30/64/569573064.db2.gz NTUWMUQWRBGZPM-UHFFFAOYSA-N 0 0 440.481 2.972 50 0 IFAARN COc1cc(C(=O)N[C@@H](C)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc(OC)c1OC ZINC000009901300 569573066 /nfs/dbraw/zinc/57/30/66/569573066.db2.gz XXXDGXVZLMKOTL-AWEZNQCLSA-N 0 0 437.496 2.897 50 0 IFAARN CCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2ccc(OC)cc2)nc1C ZINC000009913566 569573315 /nfs/dbraw/zinc/57/33/15/569573315.db2.gz GAGHPDPGKOGNDI-UHFFFAOYSA-N 0 0 426.516 2.829 50 0 IFAARN CCc1nc2ccccc2n1CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000009914958 569573409 /nfs/dbraw/zinc/57/34/09/569573409.db2.gz SPUQGMOKHXKGGP-UHFFFAOYSA-N 0 0 440.569 2.830 50 0 IFAARN CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(Cl)c2)c1N ZINC000009938502 569573868 /nfs/dbraw/zinc/57/38/68/569573868.db2.gz SVAHWHUJXWJPED-UHFFFAOYSA-N 0 0 428.880 2.976 50 0 IFAARN CCCc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)N(C)CCO)c3)nn12 ZINC000009942632 569574002 /nfs/dbraw/zinc/57/40/02/569574002.db2.gz NKPXPWGYNANMPX-UHFFFAOYSA-N 0 0 439.541 2.818 50 0 IFAARN COc1ccc(C(=O)NCc2nc3ccccc3n2C)cc1S(=O)(=O)NC1CCCC1 ZINC000009952919 569574614 /nfs/dbraw/zinc/57/46/14/569574614.db2.gz GGKGQRPTXFCPID-UHFFFAOYSA-N 0 0 442.541 2.733 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)NC(=O)c2ccco2)ccc1Cl ZINC000009957208 569574776 /nfs/dbraw/zinc/57/47/76/569574776.db2.gz GQDWNRZUFUJFMH-LBPRGKRZSA-N 0 0 427.910 2.721 50 0 IFAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000009958029 569574808 /nfs/dbraw/zinc/57/48/08/569574808.db2.gz ADHCAXZNMBZULE-UHFFFAOYSA-N 0 0 436.493 2.547 50 0 IFAARN CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(OC)ccc3OC)c2C)cc1 ZINC000071327396 569575267 /nfs/dbraw/zinc/57/52/67/569575267.db2.gz JJTLYVJIJINYQT-UHFFFAOYSA-N 0 0 439.472 2.893 50 0 IFAARN COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(Br)ccc1F ZINC000071334820 569575723 /nfs/dbraw/zinc/57/57/23/569575723.db2.gz LUAKAXGPUAXTNP-PSLIRLAXSA-N 0 0 425.258 2.530 50 0 IFAARN COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(Br)ccc1F ZINC000071334821 569575772 /nfs/dbraw/zinc/57/57/72/569575772.db2.gz LUAKAXGPUAXTNP-RFAUZJTJSA-N 0 0 425.258 2.530 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000009969270 569576012 /nfs/dbraw/zinc/57/60/12/569576012.db2.gz VAMCZBYBABZHKJ-HXUWFJFHSA-N 0 0 444.509 2.649 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc1C ZINC000009974592 569576451 /nfs/dbraw/zinc/57/64/51/569576451.db2.gz ZYPRKWAYCSGLQF-HXUWFJFHSA-N 0 0 428.554 2.989 50 0 IFAARN Cc1ccc2nc(COC(=O)[C@H](C)SCC(=O)Nc3ccc(F)cc3)cc(=O)n2c1 ZINC000009981996 569576563 /nfs/dbraw/zinc/57/65/63/569576563.db2.gz RNABFRZYAVTFOY-AWEZNQCLSA-N 0 0 429.473 2.946 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c1C ZINC000009986948 569576794 /nfs/dbraw/zinc/57/67/94/569576794.db2.gz NAUJPBXMXILREK-NRFANRHFSA-N 0 0 449.410 2.669 50 0 IFAARN C[C@@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000010016050 569577159 /nfs/dbraw/zinc/57/71/59/569577159.db2.gz OYDFKVRDNNAMOE-OAHLLOKOSA-N 0 0 437.452 2.702 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000010032402 569577358 /nfs/dbraw/zinc/57/73/58/569577358.db2.gz VJWCLNCIZKGPQW-GYCJOSAFSA-N 0 0 437.544 2.665 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCNc1ccc(Oc2ccccc2)cc1 ZINC000010049335 569577541 /nfs/dbraw/zinc/57/75/41/569577541.db2.gz KMAMYSVQFFEATD-UHFFFAOYSA-N 0 0 444.495 2.899 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)C2=O ZINC000010055889 569577563 /nfs/dbraw/zinc/57/75/63/569577563.db2.gz JQGWVFJSSOMKID-UHFFFAOYSA-N 0 0 441.406 2.688 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1-c1ccccc1OCc1ccc(F)cc1 ZINC000010102919 569577838 /nfs/dbraw/zinc/57/78/38/569577838.db2.gz FAEAYBLSCWKGHK-UHFFFAOYSA-N 0 0 433.443 2.702 50 0 IFAARN Cn1c(C[C@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc2)nc2ccccc21 ZINC000010116294 569578006 /nfs/dbraw/zinc/57/80/06/569578006.db2.gz YFYJKULXRHJWJI-FQEVSTJZSA-N 0 0 434.521 2.935 50 0 IFAARN CC(=O)N[C@H](CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cccs1 ZINC000010139231 569578120 /nfs/dbraw/zinc/57/81/20/569578120.db2.gz CBMPCFOWIRPKFX-QGZVFWFLSA-N 0 0 443.525 2.921 50 0 IFAARN C[C@H](CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NC(=O)c1ccccc1 ZINC000010139182 569578141 /nfs/dbraw/zinc/57/81/41/569578141.db2.gz DKIVHQFHLNUQMN-MRXNPFEDSA-N 0 0 437.496 2.801 50 0 IFAARN CCn1c(C)cc2c(c1=O)[C@@H](c1cc(Cl)c(OC)c(OC)c1)C(C(=O)OC)=C(N)O2 ZINC000010166101 569578167 /nfs/dbraw/zinc/57/81/67/569578167.db2.gz AJVRBXPRPZSZRC-OAHLLOKOSA-N 0 0 434.876 2.715 50 0 IFAARN O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)Nc1ccc2c(c1)OCCO2 ZINC000010166357 569578262 /nfs/dbraw/zinc/57/82/62/569578262.db2.gz WDOGEAXHMZFRBC-UHFFFAOYSA-N 0 0 448.475 2.987 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000010166421 569578271 /nfs/dbraw/zinc/57/82/71/569578271.db2.gz CKMZUIGOPDXSRN-SNVBAGLBSA-N 0 0 430.288 2.974 50 0 IFAARN COc1ccccc1CCNC(=O)CSc1nc(=O)n(Cc2ccco2)c2c1CCC2 ZINC000010186689 569578452 /nfs/dbraw/zinc/57/84/52/569578452.db2.gz DYLASBKKVSRRAL-UHFFFAOYSA-N 0 0 439.537 2.833 50 0 IFAARN NC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)sc2c1CCCC2 ZINC000010186974 569578516 /nfs/dbraw/zinc/57/85/16/569578516.db2.gz BDWYAZASZZRBOS-GFCCVEGCSA-N 0 0 439.584 2.579 50 0 IFAARN COc1cccc(-n2c3nc(-c4ccc(C(F)(F)F)cc4)nc(C(N)=O)c3[nH]c2=O)c1 ZINC000010187995 569578752 /nfs/dbraw/zinc/57/87/52/569578752.db2.gz LSOASFGHMVIZQV-UHFFFAOYSA-N 0 0 429.358 2.902 50 0 IFAARN COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C[C@H](NC(N)=O)c2ccccc2)cc1 ZINC000010201775 569578961 /nfs/dbraw/zinc/57/89/61/569578961.db2.gz FAQGQJMQBKNYBA-PMACEKPBSA-N 0 0 427.501 2.994 50 0 IFAARN O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCCc1ccc(Cl)cc1 ZINC000010213068 569579030 /nfs/dbraw/zinc/57/90/30/569579030.db2.gz YCECIXILMRQFPV-UHFFFAOYSA-N 0 0 436.839 2.876 50 0 IFAARN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)COc3cc(C)ccc3C)ccc21 ZINC000010223686 569579241 /nfs/dbraw/zinc/57/92/41/569579241.db2.gz DWNYITFDDUURFK-UHFFFAOYSA-N 0 0 431.510 2.821 50 0 IFAARN Cc1c(C)n(-c2ccccc2O)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n12 ZINC000010233684 569579608 /nfs/dbraw/zinc/57/96/08/569579608.db2.gz XWUYNXOHZSBJPK-UHFFFAOYSA-N 0 0 433.443 2.648 50 0 IFAARN Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCCC1=CCCCC1)CS(=O)(=O)C2 ZINC000010250581 569579777 /nfs/dbraw/zinc/57/97/77/569579777.db2.gz QWVVNVQZUGGZBN-UHFFFAOYSA-N 0 0 442.541 2.554 50 0 IFAARN Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCCC2=CCCCC2)CS(=O)(=O)C3)c1 ZINC000010250530 569579810 /nfs/dbraw/zinc/57/98/10/569579810.db2.gz PZCODWNEDCPTRI-UHFFFAOYSA-N 0 0 442.541 2.554 50 0 IFAARN CCOc1ccc(OCC(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000010252112 569579830 /nfs/dbraw/zinc/57/98/30/569579830.db2.gz JGGOOUJFAOJDSV-UHFFFAOYSA-N 0 0 433.468 2.747 50 0 IFAARN COc1cc(C(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc(OC)c1OC ZINC000010252019 569579867 /nfs/dbraw/zinc/57/98/67/569579867.db2.gz YSDHYFYOZQYRRL-UHFFFAOYSA-N 0 0 449.467 2.609 50 0 IFAARN CS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1 ZINC000010252854 569579930 /nfs/dbraw/zinc/57/99/30/569579930.db2.gz QHIUFLSKAJZKCS-UHFFFAOYSA-N 0 0 433.530 2.730 50 0 IFAARN CC(=O)[C@H](C)n1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C)c(Cl)c2)n(C)c1=O ZINC000010271898 569580056 /nfs/dbraw/zinc/58/00/56/569580056.db2.gz BEXFGYIKJCNZTM-ZDUSSCGKSA-N 0 0 427.892 2.867 50 0 IFAARN CC(=O)[C@H](C)n1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C(F)(F)F)cc2)n(C)c1=O ZINC000010271917 569580102 /nfs/dbraw/zinc/58/01/02/569580102.db2.gz CZLPEGXBAYLZSI-LBPRGKRZSA-N 0 0 447.417 2.924 50 0 IFAARN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(OC)c1 ZINC000010272041 569580127 /nfs/dbraw/zinc/58/01/27/569580127.db2.gz KGBKJFFVLVGZQU-UHFFFAOYSA-N 0 0 440.905 2.630 50 0 IFAARN COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C ZINC000010272346 569580182 /nfs/dbraw/zinc/58/01/82/569580182.db2.gz JRYHROXPIHJRPE-UHFFFAOYSA-N 0 0 435.459 2.553 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000010273356 569580256 /nfs/dbraw/zinc/58/02/56/569580256.db2.gz ANFXUVBVAXMVAL-GOSISDBHSA-N 0 0 434.901 2.903 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2cccs2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000010273544 569580308 /nfs/dbraw/zinc/58/03/08/569580308.db2.gz WPFLVLNRRZJJFR-HNNXBMFYSA-N 0 0 426.903 2.656 50 0 IFAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000071745230 569580457 /nfs/dbraw/zinc/58/04/57/569580457.db2.gz GOXJFHIELMUNEL-QHCPKHFHSA-N 0 0 439.468 2.650 50 0 IFAARN COc1cc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc(OC)c1OC ZINC000071769060 569580825 /nfs/dbraw/zinc/58/08/25/569580825.db2.gz FVGGOUFNYDBPHD-UHFFFAOYSA-N 0 0 429.448 2.858 50 0 IFAARN COc1cc(C(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)cc(OC)c1OC ZINC000010313213 569580888 /nfs/dbraw/zinc/58/08/88/569580888.db2.gz WHHMTRZRKJAAFX-UHFFFAOYSA-N 0 0 438.484 2.981 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)cc1 ZINC000010316227 569580894 /nfs/dbraw/zinc/58/08/94/569580894.db2.gz GBIZFQPVCZRMII-UHFFFAOYSA-N 0 0 439.519 2.799 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(OC)cc3)nn2)cc1 ZINC000010324435 569580964 /nfs/dbraw/zinc/58/09/64/569580964.db2.gz LHFGSIVRAUMRNO-UHFFFAOYSA-N 0 0 429.498 2.908 50 0 IFAARN CC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1C ZINC000010337426 569581255 /nfs/dbraw/zinc/58/12/55/569581255.db2.gz SNACZRSNMKGRMC-UHFFFAOYSA-N 0 0 425.507 2.833 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(CC(N)=O)cs3)cc2)cc1C ZINC000010376594 569581572 /nfs/dbraw/zinc/58/15/72/569581572.db2.gz FBCUNOYLJJIMTO-UHFFFAOYSA-N 0 0 444.538 2.841 50 0 IFAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl)NC1CC1 ZINC000010386517 569581820 /nfs/dbraw/zinc/58/18/20/569581820.db2.gz OTZCGYGXRGUMMP-UHFFFAOYSA-N 0 0 448.928 2.522 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1)n1cncn1 ZINC000071808654 569581850 /nfs/dbraw/zinc/58/18/50/569581850.db2.gz CJRVKCADSWLJSR-VDGAXYAQSA-N 0 0 442.520 2.670 50 0 IFAARN C[C@H](C(=O)Nc1ccc(NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1)n1cncn1 ZINC000071808655 569581893 /nfs/dbraw/zinc/58/18/93/569581893.db2.gz CJRVKCADSWLJSR-UXPWSPDFSA-N 0 0 442.520 2.670 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(C)c2)NC(=O)N[C@H]1c1ccccc1 ZINC000010433680 569582118 /nfs/dbraw/zinc/58/21/18/569582118.db2.gz YUBGJLRDZKFCHN-IBGZPJMESA-N 0 0 432.473 2.779 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)N[C@H]1c1ccccc1 ZINC000010433666 569582133 /nfs/dbraw/zinc/58/21/33/569582133.db2.gz LEPYKVADZAXJGU-FQEVSTJZSA-N 0 0 428.510 2.948 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010444905 569582247 /nfs/dbraw/zinc/58/22/47/569582247.db2.gz BETCQEHUSUJJNL-IBGZPJMESA-N 0 0 449.598 2.928 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000010453137 569582295 /nfs/dbraw/zinc/58/22/95/569582295.db2.gz CWYPFKCYUHUDIZ-SECBINFHSA-N 0 0 447.296 2.833 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1OC(F)F ZINC000071850222 569582390 /nfs/dbraw/zinc/58/23/90/569582390.db2.gz DLCJADDWWDPIDM-ZDUSSCGKSA-N 0 0 446.497 2.828 50 0 IFAARN COC(=O)c1nc(NC(=O)CCc2c(C)nc3ncnn3c2C)sc1-c1ccccc1 ZINC000079473620 569583713 /nfs/dbraw/zinc/58/37/13/569583713.db2.gz GGFUCYHETUHXFC-UHFFFAOYSA-N 0 0 436.497 3.223 50 0 IFAARN CCOC(=O)c1sc(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)nc1C ZINC000071279516 569584342 /nfs/dbraw/zinc/58/43/42/569584342.db2.gz FCMWEYFGPRYQNW-UHFFFAOYSA-N 0 0 432.889 3.144 50 0 IFAARN COc1ccccc1N1C[C@@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)CC1=O ZINC000011865990 569584827 /nfs/dbraw/zinc/58/48/27/569584827.db2.gz PUINMVYWUHPRNM-LBPRGKRZSA-N 0 0 445.522 2.700 50 0 IFAARN COc1ccccc1N1C[C@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)CC1=O ZINC000011865991 569584873 /nfs/dbraw/zinc/58/48/73/569584873.db2.gz PUINMVYWUHPRNM-GFCCVEGCSA-N 0 0 445.522 2.700 50 0 IFAARN CCn1cc(C(=O)Nc2nc(C(=O)OC)c(C(C)C)s2)c(=O)c2cc3c(cc21)OCO3 ZINC000072401247 569585017 /nfs/dbraw/zinc/58/50/17/569585017.db2.gz IKIWSNWWXASHKU-UHFFFAOYSA-N 0 0 443.481 3.369 50 0 IFAARN Cc1sc([N-]S(=O)(=O)c2ccccc2)nc1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000229702952 569585066 /nfs/dbraw/zinc/58/50/66/569585066.db2.gz ZMCNYETUWKPMMC-AEFFLSMTSA-N 0 0 448.614 3.247 50 0 IFAARN O=C(NCc1nc(-c2ccccc2)no1)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000077100419 569585434 /nfs/dbraw/zinc/58/54/34/569585434.db2.gz MDDONVRMVBSICW-UHFFFAOYSA-N 0 0 431.334 2.541 50 0 IFAARN O=C(Nc1cc(N2CCOCC2)ncn1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000077100882 569585471 /nfs/dbraw/zinc/58/54/71/569585471.db2.gz FALBUNHGUVAGSB-IBGZPJMESA-N 0 0 445.527 2.625 50 0 IFAARN O=C(OC1CN(c2nc3ccccc3s2)C1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000077101010 569585553 /nfs/dbraw/zinc/58/55/53/569585553.db2.gz BVKLBLJPAGKRQH-OAHLLOKOSA-N 0 0 449.579 2.943 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(CSC3=NCCS3)CC2)cc1 ZINC000077101463 569585630 /nfs/dbraw/zinc/58/56/30/569585630.db2.gz QGZHVWQNESSPNG-UHFFFAOYSA-N 0 0 427.617 2.625 50 0 IFAARN CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@@](C)(O)c3cccs3)cc21 ZINC000077184996 569585865 /nfs/dbraw/zinc/58/58/65/569585865.db2.gz MYNIKSRLDSVUAP-JOCHJYFZSA-N 0 0 429.542 2.646 50 0 IFAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nn2)n1 ZINC000077197138 569586157 /nfs/dbraw/zinc/58/61/57/569586157.db2.gz RUGLQTYXTHDSRC-UHFFFAOYSA-N 0 0 431.422 2.655 50 0 IFAARN O=c1n(CCNS(=O)(=O)c2ccc(F)c(Cl)c2)nc(C2CC2)n1-c1ccccc1 ZINC000077198178 569586245 /nfs/dbraw/zinc/58/62/45/569586245.db2.gz XWQQQCWHMFPHLY-UHFFFAOYSA-N 0 0 436.896 2.682 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccccc3Cl)c2-c2ccccn2)CC1 ZINC000077199892 569586269 /nfs/dbraw/zinc/58/62/69/569586269.db2.gz ROXPMPNQTQSLAH-UHFFFAOYSA-N 0 0 440.891 2.897 50 0 IFAARN O=C(c1nnn(-c2ccccc2Cl)c1-c1ccccn1)N1CCN(c2ncccn2)CC1 ZINC000077199896 569586279 /nfs/dbraw/zinc/58/62/79/569586279.db2.gz VGGCVLLGLZHLKL-UHFFFAOYSA-N 0 0 446.902 2.735 50 0 IFAARN COc1ccccc1N1CCN(CCNC(=O)c2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000077200784 569586533 /nfs/dbraw/zinc/58/65/33/569586533.db2.gz BGAHAMWZVZVPMW-UHFFFAOYSA-N 0 0 437.519 2.787 50 0 IFAARN O[C@H](CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1)CN1CCOCC1 ZINC000169681556 569587276 /nfs/dbraw/zinc/58/72/76/569587276.db2.gz YMVKTNYDQYXEBY-GOTSBHOMSA-N 0 0 427.520 2.514 50 0 IFAARN COc1ccc(CNC(=O)c2ccc(-c3nc4cccnc4n(C)c3=O)cc2)cc1OC ZINC000033170399 569587372 /nfs/dbraw/zinc/58/73/72/569587372.db2.gz NYPCERZCFUNCDP-UHFFFAOYSA-N 0 0 430.464 2.943 50 0 IFAARN O[C@@H](CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1)CN1CCOCC1 ZINC000036147267 569587915 /nfs/dbraw/zinc/58/79/15/569587915.db2.gz YMVKTNYDQYXEBY-DHIUTWEWSA-N 0 0 427.520 2.514 50 0 IFAARN COc1ccc(CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc3nncn3c2)cc1 ZINC000065199041 569588247 /nfs/dbraw/zinc/58/82/47/569588247.db2.gz LCUASACRDXBYMD-UHFFFAOYSA-N 0 0 438.465 2.862 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000000635041 193865654 /nfs/dbraw/zinc/86/56/54/193865654.db2.gz HAAXBSWVXZCUNO-LYPXWFNGSA-N 0 0 440.546 2.868 50 0 IFAARN COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(I)c2)cc1 ZINC000000640341 193867516 /nfs/dbraw/zinc/86/75/16/193867516.db2.gz TWIFQYWHJPQXEE-UHFFFAOYSA-N 0 0 447.250 2.887 50 0 IFAARN Cc1c(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000000656050 193874615 /nfs/dbraw/zinc/87/46/15/193874615.db2.gz GKBCJTDJMFLTEN-UHFFFAOYSA-N 0 0 442.541 2.506 50 0 IFAARN COC(=O)c1ccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)cc1 ZINC000006198995 193892212 /nfs/dbraw/zinc/89/22/12/193892212.db2.gz OYBIALLSVWUNMG-UHFFFAOYSA-N 0 0 447.538 2.663 50 0 IFAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2Cl)c(=O)n3C)n1C[C@@H]1CCCO1 ZINC000006300133 193897292 /nfs/dbraw/zinc/89/72/92/193897292.db2.gz DZDQWIWRBVYJOR-INIZCTEOSA-N 0 0 441.919 2.647 50 0 IFAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCC3)ccc21)Nc1ccc(F)cc1 ZINC000009830656 193897632 /nfs/dbraw/zinc/89/76/32/193897632.db2.gz TYNVPGSNESYGGB-UHFFFAOYSA-N 0 0 433.461 2.593 50 0 IFAARN O=C(COc1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019787665 193918700 /nfs/dbraw/zinc/91/87/00/193918700.db2.gz YZVOLYDBKCJSLS-UHFFFAOYSA-N 0 0 433.302 2.901 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000055074179 193934611 /nfs/dbraw/zinc/93/46/11/193934611.db2.gz QFHKAFCOVHOPRA-JOCHJYFZSA-N 0 0 443.494 2.725 50 0 IFAARN COc1ccccc1CCN1C[C@H](C(=O)Nc2cccc(C(=O)c3nccn3C)c2)CC1=O ZINC000096224170 193936778 /nfs/dbraw/zinc/93/67/78/193936778.db2.gz KMNKEFTWPZUXHH-LJQANCHMSA-N 0 0 446.507 2.689 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1OC ZINC000223226232 193954663 /nfs/dbraw/zinc/95/46/63/193954663.db2.gz GHPHVOWZCYDPCL-CYBMUJFWSA-N 0 0 437.374 2.570 50 0 IFAARN Cc1ccc(-n2c(N)cc(=O)nc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1C ZINC000009518798 132232579 /nfs/dbraw/zinc/23/25/79/132232579.db2.gz RJGSKIJWXMYTPC-UHFFFAOYSA-N 0 0 449.580 2.872 50 0 IFAARN COc1ccc([C@@H]2[C@H](C(=O)O[C@@H](C)C(N)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000009538535 132233343 /nfs/dbraw/zinc/23/33/43/132233343.db2.gz JXUJEYSAOSCDJG-QXATTWAWSA-N 0 0 440.496 2.914 50 0 IFAARN COc1cccc(N2C[C@@H](NC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)CC2=O)c1 ZINC000009519955 132233430 /nfs/dbraw/zinc/23/34/30/132233430.db2.gz CJYUQRUOUKZUHE-IBGZPJMESA-N 0 0 436.512 2.535 50 0 IFAARN O=C(CCC1CCCCC1)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009569953 132235252 /nfs/dbraw/zinc/23/52/52/132235252.db2.gz KRGMDUSFCAYCSY-UHFFFAOYSA-N 0 0 425.570 2.754 50 0 IFAARN O=C(Nc1cc(N2CCOCC2)ncn1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000000958993 132236323 /nfs/dbraw/zinc/23/63/23/132236323.db2.gz LTDAZLUZQYJTMB-QGZVFWFLSA-N 0 0 445.785 2.776 50 0 IFAARN COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000001146758 132237432 /nfs/dbraw/zinc/23/74/32/132237432.db2.gz DBEUOYZHFWMXDH-UHFFFAOYSA-N 0 0 438.933 2.711 50 0 IFAARN Cc1ccc(Cl)cc1N(CC(=O)N1CCN(c2ccccc2F)CC1)S(C)(=O)=O ZINC000001150066 132237453 /nfs/dbraw/zinc/23/74/53/132237453.db2.gz ORCOGRFLFWBFOK-UHFFFAOYSA-N 0 0 439.940 2.902 50 0 IFAARN CCOC(=O)c1c(C)n2nc(N3CCOCC3)nc(-c3ccccc3)c2c1C(=O)OCC ZINC000001205961 132239644 /nfs/dbraw/zinc/23/96/44/132239644.db2.gz CBZLSQAQCZPEJL-UHFFFAOYSA-N 0 0 438.484 2.895 50 0 IFAARN COc1cccc(-n2nnc3c2ncnc3N2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000009851089 132242106 /nfs/dbraw/zinc/24/21/06/132242106.db2.gz HWBAVJLGWGZMPK-UHFFFAOYSA-N 0 0 443.511 2.501 50 0 IFAARN COc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000009850115 132242118 /nfs/dbraw/zinc/24/21/18/132242118.db2.gz ZZZLGRZXWSOOAA-UHFFFAOYSA-N 0 0 449.902 2.835 50 0 IFAARN CNC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c2ccccc2O1 ZINC000009884800 132242517 /nfs/dbraw/zinc/24/25/17/132242517.db2.gz UWHMMZKHRJIQGL-QFIPXVFZSA-N 0 0 444.491 2.891 50 0 IFAARN COc1ccc(OC)c(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1 ZINC000010102303 132242697 /nfs/dbraw/zinc/24/26/97/132242697.db2.gz JVSSXOGMOYWEPQ-UHFFFAOYSA-N 0 0 447.495 2.504 50 0 IFAARN CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000009823997 132244479 /nfs/dbraw/zinc/24/44/79/132244479.db2.gz QRXGWNORMQHPJX-UHFFFAOYSA-N 0 0 429.484 2.572 50 0 IFAARN O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000002467729 132254723 /nfs/dbraw/zinc/25/47/23/132254723.db2.gz JZVQXKRTPJOJHS-INIZCTEOSA-N 0 0 437.562 2.637 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccc(Cl)cc1 ZINC000002877832 132258029 /nfs/dbraw/zinc/25/80/29/132258029.db2.gz CAAPTSFIDOAUKW-UHFFFAOYSA-N 0 0 439.940 2.590 50 0 IFAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000002883041 132258168 /nfs/dbraw/zinc/25/81/68/132258168.db2.gz MSIINSIRNRUDQJ-KRWDZBQOSA-N 0 0 449.523 2.714 50 0 IFAARN Cc1noc(C)c1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003302888 132263552 /nfs/dbraw/zinc/26/35/52/132263552.db2.gz QVFJDSYDHZJUDO-UHFFFAOYSA-N 0 0 427.379 2.942 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)cc1 ZINC000003328909 132263937 /nfs/dbraw/zinc/26/39/37/132263937.db2.gz LHMJDUNEWNTROV-UHFFFAOYSA-N 0 0 437.525 2.548 50 0 IFAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000003415520 132265039 /nfs/dbraw/zinc/26/50/39/132265039.db2.gz AQUHXOKZUCYACO-UHFFFAOYSA-N 0 0 440.529 2.547 50 0 IFAARN Cc1sc2ncnc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c2c1C ZINC000003441334 132265643 /nfs/dbraw/zinc/26/56/43/132265643.db2.gz SXNBQXISYFRTIU-UHFFFAOYSA-N 0 0 446.554 2.590 50 0 IFAARN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000004121663 132270142 /nfs/dbraw/zinc/27/01/42/132270142.db2.gz RDIBZQMGSLYSOJ-UHFFFAOYSA-N 0 0 426.542 2.881 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CCNC(=O)Cn3ccc4ccccc4c3=O)C[C@@H]2C)c1 ZINC000004766926 132273813 /nfs/dbraw/zinc/27/38/13/132273813.db2.gz XMUVLKVCQIKIEL-FQEVSTJZSA-N 0 0 446.551 2.554 50 0 IFAARN COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)c1 ZINC000004787643 132273966 /nfs/dbraw/zinc/27/39/66/132273966.db2.gz CILIVWQRKINZGR-UHFFFAOYSA-N 0 0 449.598 2.506 50 0 IFAARN CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1 ZINC000006602793 132277937 /nfs/dbraw/zinc/27/79/37/132277937.db2.gz MRJCDQUETUPUAL-UHFFFAOYSA-N 0 0 427.570 2.996 50 0 IFAARN O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(c2ccccc2F)CC1 ZINC000008593704 132284494 /nfs/dbraw/zinc/28/44/94/132284494.db2.gz TXXMYSJFAXIDHA-INIZCTEOSA-N 0 0 437.562 2.637 50 0 IFAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)NCc1ccc(F)cc1 ZINC000008605700 132287348 /nfs/dbraw/zinc/28/73/48/132287348.db2.gz JNSXAAUXNVUUMH-UHFFFAOYSA-N 0 0 438.507 2.504 50 0 IFAARN CC1CCN(S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)n(C)c2)CC1 ZINC000008609822 132288047 /nfs/dbraw/zinc/28/80/47/132288047.db2.gz FHMXNHMQBHUBEB-UHFFFAOYSA-N 0 0 448.564 2.547 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)cn3C)CC2)c1 ZINC000008610245 132288067 /nfs/dbraw/zinc/28/80/67/132288067.db2.gz ZXONXNYAMVPTMV-UHFFFAOYSA-N 0 0 444.601 2.779 50 0 IFAARN Cc1ccc(CNC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@H]3C2=O)cc1 ZINC000008610675 132288197 /nfs/dbraw/zinc/28/81/97/132288197.db2.gz AEHWJJSSDMHLCV-NRFANRHFSA-N 0 0 434.540 2.719 50 0 IFAARN NC(=O)[C@H]1CN(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c2ccccc2O1 ZINC000008726004 132292289 /nfs/dbraw/zinc/29/22/89/132292289.db2.gz CDZLUANRXLYERW-LJQANCHMSA-N 0 0 436.537 2.755 50 0 IFAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000008965582 132298661 /nfs/dbraw/zinc/29/86/61/132298661.db2.gz GECRAKFKWWSYPL-IBGZPJMESA-N 0 0 433.464 2.887 50 0 IFAARN CCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000009118971 132304587 /nfs/dbraw/zinc/30/45/87/132304587.db2.gz KFQVLNAQVMHPNO-UHFFFAOYSA-N 0 0 429.517 2.745 50 0 IFAARN CCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000009119291 132304694 /nfs/dbraw/zinc/30/46/94/132304694.db2.gz IRILXMLADWWQTF-UHFFFAOYSA-N 0 0 446.500 2.839 50 0 IFAARN COC(=O)c1ccc(COC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)o1 ZINC000009130847 132305975 /nfs/dbraw/zinc/30/59/75/132305975.db2.gz YIPGDXZRAUCKJU-UHFFFAOYSA-N 0 0 432.454 2.904 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)CC1 ZINC000009151541 132306811 /nfs/dbraw/zinc/30/68/11/132306811.db2.gz NDTIQPKYXHKKLZ-INIZCTEOSA-N 0 0 429.542 2.504 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)CC1 ZINC000009151540 132306816 /nfs/dbraw/zinc/30/68/16/132306816.db2.gz NDTIQPKYXHKKLZ-MRXNPFEDSA-N 0 0 429.542 2.504 50 0 IFAARN COc1cc(NC(=O)CCCNC(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC ZINC000009184320 132307659 /nfs/dbraw/zinc/30/76/59/132307659.db2.gz FDDDMUJNSYSRIR-UHFFFAOYSA-N 0 0 442.472 2.599 50 0 IFAARN O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009207447 132308501 /nfs/dbraw/zinc/30/85/01/132308501.db2.gz SUNUWSNOHLTCDO-INIZCTEOSA-N 0 0 437.566 2.709 50 0 IFAARN COc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2F)c4=O)cc1 ZINC000009210331 132308898 /nfs/dbraw/zinc/30/88/98/132308898.db2.gz ARSLEFRKURPQHN-HNNXBMFYSA-N 0 0 449.486 2.881 50 0 IFAARN COc1cc(NC(C)=O)c(C(=O)OCC(=O)N2CCSc3ccccc32)cc1OC ZINC000009223309 132309665 /nfs/dbraw/zinc/30/96/65/132309665.db2.gz CMZZDPCSCMOYEB-UHFFFAOYSA-N 0 0 430.482 2.958 50 0 IFAARN COc1cc(NC(=O)c2c(C)oc3nc(C)nc(N4CCOCC4)c32)cc(OC)c1OC ZINC000009227719 132309959 /nfs/dbraw/zinc/30/99/59/132309959.db2.gz CTMWZPHEJGSWHH-UHFFFAOYSA-N 0 0 442.472 2.954 50 0 IFAARN COCCn1c(=O)c2c(nc3n2CCCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O ZINC000009292818 132312899 /nfs/dbraw/zinc/31/28/99/132312899.db2.gz RQPYEDUYSLNGJL-UHFFFAOYSA-N 0 0 447.495 2.877 50 0 IFAARN Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000009356548 132314382 /nfs/dbraw/zinc/31/43/82/132314382.db2.gz LNCRBJMDAVBEBI-UHFFFAOYSA-N 0 0 431.533 2.881 50 0 IFAARN COc1ccccc1N1CCN(Cc2nc(N)nc(N3CCCc4ccccc43)n2)CC1 ZINC000009433937 132317332 /nfs/dbraw/zinc/31/73/32/132317332.db2.gz KEPXUXLMCBPRHO-UHFFFAOYSA-N 0 0 431.544 2.869 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccccc1 ZINC000009464452 132318226 /nfs/dbraw/zinc/31/82/26/132318226.db2.gz LKDYZDPDVGMNPI-UHFFFAOYSA-N 0 0 429.542 2.950 50 0 IFAARN NC(=O)c1nn(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)c(=O)c2ccccc21 ZINC000009469605 132318800 /nfs/dbraw/zinc/31/88/00/132318800.db2.gz NXIIDFWWOBMVPQ-UHFFFAOYSA-N 0 0 439.903 2.778 50 0 IFAARN CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1N1CCOCC1 ZINC000009491245 132319219 /nfs/dbraw/zinc/31/92/19/132319219.db2.gz YKLCAQZKCMMMLA-UHFFFAOYSA-N 0 0 428.558 2.754 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)c(F)c1 ZINC000009504562 132319630 /nfs/dbraw/zinc/31/96/30/132319630.db2.gz HZYRMOYAPAIOCW-UHFFFAOYSA-N 0 0 443.903 2.733 50 0 IFAARN O=C1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N1Cc1ccccc1Cl ZINC000009528067 132320415 /nfs/dbraw/zinc/32/04/15/132320415.db2.gz NTSDISNMEPRERJ-UHFFFAOYSA-N 0 0 438.958 3.000 50 0 IFAARN COc1cc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCCN32)cc(OC)c1OC ZINC000009528774 132320545 /nfs/dbraw/zinc/32/05/45/132320545.db2.gz SEOWSDGAXWXLLG-SFHVURJKSA-N 0 0 425.485 2.953 50 0 IFAARN O=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCN(c2ccccc2)CC1 ZINC000009597147 132322814 /nfs/dbraw/zinc/32/28/14/132322814.db2.gz XYQLEAZNKQCIEQ-UHFFFAOYSA-N 0 0 449.580 2.907 50 0 IFAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000009635075 132324107 /nfs/dbraw/zinc/32/41/07/132324107.db2.gz BZHLSAOEZBCERD-UHFFFAOYSA-N 0 0 439.537 2.819 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccsc4c3=O)CC2)c1 ZINC000009673470 132325303 /nfs/dbraw/zinc/32/53/03/132325303.db2.gz PDRULVDWWSNNLM-UHFFFAOYSA-N 0 0 440.569 2.887 50 0 IFAARN O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21 ZINC000009676688 132325584 /nfs/dbraw/zinc/32/55/84/132325584.db2.gz GCJFQMLWRVBGII-UHFFFAOYSA-N 0 0 429.517 2.636 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000009716132 132327273 /nfs/dbraw/zinc/32/72/73/132327273.db2.gz BJLQLETUCXNECK-UHFFFAOYSA-N 0 0 440.525 2.983 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000009717170 132327357 /nfs/dbraw/zinc/32/73/57/132327357.db2.gz RTFRDEOGRLWMRP-NRFANRHFSA-N 0 0 429.542 2.623 50 0 IFAARN CCc1ccc(NC(=O)CCc2nnc3ccc(N4CCC5(CC4)OCCO5)nn32)cc1 ZINC000009745656 132328320 /nfs/dbraw/zinc/32/83/20/132328320.db2.gz YKAUWFFVPZPZTQ-UHFFFAOYSA-N 0 0 436.516 2.601 50 0 IFAARN O=C(CSc1nc2ccccc2o1)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009755669 132328346 /nfs/dbraw/zinc/32/83/46/132328346.db2.gz YIVQWRGDQFKHAW-LJQANCHMSA-N 0 0 439.493 2.573 50 0 IFAARN O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000009748161 132328364 /nfs/dbraw/zinc/32/83/64/132328364.db2.gz YIKGPNAOTBXQPC-NTCAYCPXSA-N 0 0 425.510 2.684 50 0 IFAARN O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009805762 132329249 /nfs/dbraw/zinc/32/92/49/132329249.db2.gz NTBGXJKISKJGEP-UHFFFAOYSA-N 0 0 442.510 2.742 50 0 IFAARN Cn1c2ccccc2c2cnn(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(=O)c21 ZINC000009819492 132329497 /nfs/dbraw/zinc/32/94/97/132329497.db2.gz UGBISHHLFRCDMR-UHFFFAOYSA-N 0 0 435.915 2.890 50 0 IFAARN Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCC5(CC4)OCCO5)nn32)cc1C ZINC000009831670 132329580 /nfs/dbraw/zinc/32/95/80/132329580.db2.gz WRXNLTINXVJOFA-UHFFFAOYSA-N 0 0 436.516 2.656 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ccc(O)cc2)CC1 ZINC000009835258 132329729 /nfs/dbraw/zinc/32/97/29/132329729.db2.gz GMUSGFKQUATVSX-UHFFFAOYSA-N 0 0 443.569 2.919 50 0 IFAARN C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000009862254 132330358 /nfs/dbraw/zinc/33/03/58/132330358.db2.gz FAXHXMLIHPNYDF-DOTOQJQBSA-N 0 0 433.603 2.958 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000009892634 132330938 /nfs/dbraw/zinc/33/09/38/132330938.db2.gz UIUWPRUVZJUPDH-UHFFFAOYSA-N 0 0 445.560 2.884 50 0 IFAARN CCCn1nc(C(=O)Nc2cc(OCC)c(N3CCOCC3)cc2OCC)ccc1=O ZINC000009913903 132331743 /nfs/dbraw/zinc/33/17/43/132331743.db2.gz WRWYDCZFAUAIDX-UHFFFAOYSA-N 0 0 430.505 2.540 50 0 IFAARN Cc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c2cc3sccc3n21 ZINC000009971573 132333384 /nfs/dbraw/zinc/33/33/84/132333384.db2.gz ATOAWHYLAPFSJP-UHFFFAOYSA-N 0 0 425.489 2.507 50 0 IFAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)N1CCCc3ccccc31)C2=O ZINC000009985691 132333640 /nfs/dbraw/zinc/33/36/40/132333640.db2.gz KNDLITRGKXMGRH-UPCLLVRISA-N 0 0 441.528 2.646 50 0 IFAARN O=C(Cn1cnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000010009546 132334010 /nfs/dbraw/zinc/33/40/10/132334010.db2.gz XRRRBADRFCYVNI-UHFFFAOYSA-N 0 0 432.402 2.891 50 0 IFAARN NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000010742275 132336492 /nfs/dbraw/zinc/33/64/92/132336492.db2.gz GTHORAPWPWYKGE-LJQANCHMSA-N 0 0 425.920 2.750 50 0 IFAARN Cc1cc(N2CCN(C(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)nc(C(C)C)n1 ZINC000011077614 132337179 /nfs/dbraw/zinc/33/71/79/132337179.db2.gz HMUOJYATCMYFAC-UHFFFAOYSA-N 0 0 432.528 2.725 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3c(F)cccc3F)CC2)c1 ZINC000011796650 132340201 /nfs/dbraw/zinc/34/02/01/132340201.db2.gz MAXYWLLIFXJYSF-UHFFFAOYSA-N 0 0 437.512 2.545 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000011796624 132340223 /nfs/dbraw/zinc/34/02/23/132340223.db2.gz DUWRSFZCYKJBEX-UHFFFAOYSA-N 0 0 429.586 2.884 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)/C=C/c3ccccc3)CC2)c1 ZINC000011796666 132340248 /nfs/dbraw/zinc/34/02/48/132340248.db2.gz ZGLJITMOHVNASH-VAWYXSNFSA-N 0 0 427.570 2.667 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1 ZINC000011821413 132340483 /nfs/dbraw/zinc/34/04/83/132340483.db2.gz DIXFTTKCWIPKRJ-RUZDIDTESA-N 0 0 442.563 2.879 50 0 IFAARN Cc1sc2nc(CS[C@@H](C)C(=O)N3CCN(c4ccccn4)CC3)[nH]c(=O)c2c1C ZINC000012978763 132341334 /nfs/dbraw/zinc/34/13/34/132341334.db2.gz SMWSUHOYMFZXQX-HNNXBMFYSA-N 0 0 443.598 2.967 50 0 IFAARN Cc1ccn(-c2ccc(N3CCN(C(=O)c4ccccc4Br)CC3)nn2)n1 ZINC000013008912 132342072 /nfs/dbraw/zinc/34/20/72/132342072.db2.gz JPOGJMWSCBMUBK-UHFFFAOYSA-N 0 0 427.306 2.696 50 0 IFAARN COc1cccc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)c1OC ZINC000013008959 132342114 /nfs/dbraw/zinc/34/21/14/132342114.db2.gz GJEMSDFDHBKDJR-UHFFFAOYSA-N 0 0 436.516 2.567 50 0 IFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)COc3cccc(C)c3)CC2)cc1 ZINC000013036866 132342861 /nfs/dbraw/zinc/34/28/61/132342861.db2.gz WRRKRNWFKBCULZ-UHFFFAOYSA-N 0 0 443.511 2.555 50 0 IFAARN O=C(c1ccccc1Cl)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000013036901 132342872 /nfs/dbraw/zinc/34/28/72/132342872.db2.gz GFEYRSVLTDPYFS-UHFFFAOYSA-N 0 0 437.866 2.965 50 0 IFAARN O=C(c1c(F)cccc1F)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000013036878 132342896 /nfs/dbraw/zinc/34/28/96/132342896.db2.gz RQIPGFHVYVWZDY-UHFFFAOYSA-N 0 0 439.401 2.590 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000013041764 132343446 /nfs/dbraw/zinc/34/34/46/132343446.db2.gz ZDXMGFVTAXETSR-UHFFFAOYSA-N 0 0 443.569 2.751 50 0 IFAARN CCS(=O)(=O)N1CCCc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc21 ZINC000013610482 132351800 /nfs/dbraw/zinc/35/18/00/132351800.db2.gz FTBRPNVBDSAWQA-UHFFFAOYSA-N 0 0 427.570 2.747 50 0 IFAARN NC(=O)[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c2ccccc2O1 ZINC000014240261 132356918 /nfs/dbraw/zinc/35/69/18/132356918.db2.gz BDDQVYNHTWZPRI-REWPJTCUSA-N 0 0 433.533 2.975 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2cnc3c4ccccc4sc3c2=O)CC1 ZINC000016973345 132357158 /nfs/dbraw/zinc/35/71/58/132357158.db2.gz VQKCZCWSULTGMG-UHFFFAOYSA-N 0 0 434.521 2.969 50 0 IFAARN CC(=O)[C@H]1CCCN(C(=O)c2coc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)C1 ZINC000020451491 518220282 /nfs/dbraw/zinc/22/02/82/518220282.db2.gz GCSULZJQLDTZQD-XPUAEESYSA-N 0 0 436.556 2.947 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1C ZINC000012806982 518232516 /nfs/dbraw/zinc/23/25/16/518232516.db2.gz UPJKHWFYPUEWOT-NPMABZOXSA-N 0 0 439.468 2.687 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1C ZINC000012806994 518232630 /nfs/dbraw/zinc/23/26/30/518232630.db2.gz UPJKHWFYPUEWOT-ZAMGYDSWSA-N 0 0 439.468 2.687 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N(C3=CCCCC3)C3CC3)CC2)cc1 ZINC000012913291 518404073 /nfs/dbraw/zinc/40/40/73/518404073.db2.gz CQGYCRXYMXQYPK-UHFFFAOYSA-N 0 0 445.585 2.644 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1 ZINC000012605902 518458155 /nfs/dbraw/zinc/45/81/55/518458155.db2.gz YFZDYZMRQPSIKO-UHFFFAOYSA-N 0 0 425.510 2.528 50 0 IFAARN CC(C)(C)OC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000016247086 518795097 /nfs/dbraw/zinc/79/50/97/518795097.db2.gz VJQWOTGUWFWJQT-UHFFFAOYSA-N 0 0 431.510 2.932 50 0 IFAARN CC(C)(C)c1ccccc1OC[C@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000022021139 519061527 /nfs/dbraw/zinc/06/15/27/519061527.db2.gz VTEVNHUIKVBJJX-GYCJOSAFSA-N 0 0 440.496 2.920 50 0 IFAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccccc1F ZINC000015883666 519449677 /nfs/dbraw/zinc/44/96/77/519449677.db2.gz JOKKBTSAZVVNJJ-UHFFFAOYSA-N 0 0 430.505 2.701 50 0 IFAARN CC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)CC(C)C ZINC000036062504 519461614 /nfs/dbraw/zinc/46/16/14/519461614.db2.gz ZJBVIONOWSXLOJ-UHFFFAOYSA-N 0 0 429.952 2.950 50 0 IFAARN CC(C)Cc1nnc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n32)s1 ZINC000021537162 519467951 /nfs/dbraw/zinc/46/79/51/519467951.db2.gz ALVGHOZTTGFAPO-UHFFFAOYSA-N 0 0 441.542 2.865 50 0 IFAARN CC(C)C(=O)N1CCN(Cc2nc3cc(NC(=O)COc4ccccc4)ccc3n2C)CC1 ZINC000020592313 519472416 /nfs/dbraw/zinc/47/24/16/519472416.db2.gz DCSMFZFIRSAHIY-UHFFFAOYSA-N 0 0 449.555 2.891 50 0 IFAARN CC(C)Cn1c(CCC(N)=O)nnc1S[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012568626 519485099 /nfs/dbraw/zinc/48/50/99/519485099.db2.gz QNSRRHZTNDENHX-HIGJEIRPSA-N 0 0 433.622 2.918 50 0 IFAARN CC(C)Cn1nnnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000024754993 519548762 /nfs/dbraw/zinc/54/87/62/519548762.db2.gz SOZHHZHZGKRNQY-UHFFFAOYSA-N 0 0 426.428 2.659 50 0 IFAARN CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000072097065 519584462 /nfs/dbraw/zinc/58/44/62/519584462.db2.gz LFSRABJINVNXCD-QFIPXVFZSA-N 0 0 439.531 2.600 50 0 IFAARN CC(=O)N1CCN(C[C@H](O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)CC1 ZINC000020744367 519586495 /nfs/dbraw/zinc/58/64/95/519586495.db2.gz LOIQEFIYYSGUOG-FQEVSTJZSA-N 0 0 436.508 2.672 50 0 IFAARN CC(=O)N1CCN(C[C@@H](O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)CC1 ZINC000035686223 519586754 /nfs/dbraw/zinc/58/67/54/519586754.db2.gz LOIQEFIYYSGUOG-HXUWFJFHSA-N 0 0 436.508 2.672 50 0 IFAARN CC(=O)N1CCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)CC1 ZINC000022226155 519594099 /nfs/dbraw/zinc/59/40/99/519594099.db2.gz IERZGKDLSWLVKA-UHFFFAOYSA-N 0 0 443.598 2.921 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)Nc1cccc(F)c1 ZINC000021022115 519639104 /nfs/dbraw/zinc/63/91/04/519639104.db2.gz BMXRDEJITJWEJB-FQEVSTJZSA-N 0 0 431.489 2.527 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N3c4ccccc4C[C@H]3C)cc2C[C@@H]1C ZINC000020529578 519639319 /nfs/dbraw/zinc/63/93/19/519639319.db2.gz GSZMUKLFFYBRDL-JKSUJKDBSA-N 0 0 441.553 2.630 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)cc3C)cc2C[C@H]1C ZINC000020529457 519639732 /nfs/dbraw/zinc/63/97/32/519639732.db2.gz HLDUMGBPZZMTGV-MRXNPFEDSA-N 0 0 429.542 2.908 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)cc2C[C@H]1C ZINC000021867262 519639880 /nfs/dbraw/zinc/63/98/80/519639880.db2.gz OKIUCZRJNZZCSA-HUUCEWRRSA-N 0 0 425.514 2.604 50 0 IFAARN CC(C)CCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012776636 519657467 /nfs/dbraw/zinc/65/74/67/519657467.db2.gz WLAHJNAFWRZCCL-UHFFFAOYSA-N 0 0 442.516 2.542 50 0 IFAARN CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1 ZINC000035380393 519683009 /nfs/dbraw/zinc/68/30/09/519683009.db2.gz OOWPPLNGLONDQO-NRFANRHFSA-N 0 0 442.947 2.690 50 0 IFAARN CC(C)NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1 ZINC000035558262 519700997 /nfs/dbraw/zinc/70/09/97/519700997.db2.gz DIIACEXXYSCVKV-UHFFFAOYSA-N 0 0 438.575 2.991 50 0 IFAARN CC(C)NC(=O)CN1c2cc(S(=O)(=O)N3CCCCC3)ccc2S[C@H](C)CC1=O ZINC000021941131 519707181 /nfs/dbraw/zinc/70/71/81/519707181.db2.gz FDYRUZRVCJNCES-OAHLLOKOSA-N 0 0 439.603 2.603 50 0 IFAARN CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)c3c[nH]c4ccccc43)CC2)s1 ZINC000023141802 519709257 /nfs/dbraw/zinc/70/92/57/519709257.db2.gz DSYUGKKYTXRNKY-UHFFFAOYSA-N 0 0 444.586 2.599 50 0 IFAARN CC(C)CN(Cn1nc(N2CCCCC2)n(C2CC2)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000022842042 519719122 /nfs/dbraw/zinc/71/91/22/519719122.db2.gz LSOVTLNBXBNACB-KRWDZBQOSA-N 0 0 427.640 2.842 50 0 IFAARN CC(C)CN1C(=O)[C@H](C(C)C)NC12CCN(S(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000036014258 519720004 /nfs/dbraw/zinc/72/00/04/519720004.db2.gz HMEVCLCSDWKUEL-SFHVURJKSA-N 0 0 427.998 2.933 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)cc1 ZINC000020310035 519723287 /nfs/dbraw/zinc/72/32/87/519723287.db2.gz QEJYSJATXCBCHG-UHFFFAOYSA-N 0 0 432.480 2.835 50 0 IFAARN CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1=O ZINC000020601607 519732629 /nfs/dbraw/zinc/73/26/29/519732629.db2.gz ULRYMSHGXPSSAG-SIKLNZKXSA-N 0 0 435.524 2.664 50 0 IFAARN CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012786634 519737375 /nfs/dbraw/zinc/73/73/75/519737375.db2.gz KTOPAPYDHNDMBI-HNNXBMFYSA-N 0 0 442.516 2.540 50 0 IFAARN CC(C)CNC(=O)[C@@H](C)N1CC2=C(C1=O)[C@H](c1ccc(C(F)(F)F)cc1)NC(=O)N2C ZINC000035965894 519738221 /nfs/dbraw/zinc/73/82/21/519738221.db2.gz BDMYREBSNDYRDQ-PXAZEXFGSA-N 0 0 438.450 2.659 50 0 IFAARN CC(C)CNC(=O)[C@H](C(C)C)N1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2C ZINC000035964716 519739861 /nfs/dbraw/zinc/73/98/61/519739861.db2.gz CJTPNBMWGIKXJA-MOPGFXCFSA-N 0 0 432.952 2.929 50 0 IFAARN CC(C)CS(=O)(=O)c1ncc(CN2CCN(CC3CC3)CC2)n1Cc1ccccc1 ZINC000020599575 519767540 /nfs/dbraw/zinc/76/75/40/519767540.db2.gz JYCALGVHYHBJQO-UHFFFAOYSA-N 0 0 430.618 2.889 50 0 IFAARN CC(C)[C@@H](NC(=O)CSc1nnnn1C[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 ZINC000021733457 519797208 /nfs/dbraw/zinc/79/72/08/519797208.db2.gz GWFJENFWGAGBIF-OXQOHEQNSA-N 0 0 447.561 2.619 50 0 IFAARN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000022865410 519798607 /nfs/dbraw/zinc/79/86/07/519798607.db2.gz CTUZHOHERIGOAQ-GOSISDBHSA-N 0 0 435.571 2.926 50 0 IFAARN CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000020538390 519799616 /nfs/dbraw/zinc/79/96/16/519799616.db2.gz SBXKHZYLHQJQQV-QGZVFWFLSA-N 0 0 445.511 2.602 50 0 IFAARN CC(C)[C@H](NC(=O)CN1CCC(C(=O)N2CCCCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000012809921 519818426 /nfs/dbraw/zinc/81/84/26/519818426.db2.gz HLWKYUXJTYNYAK-DEOSSOPVSA-N 0 0 443.588 2.996 50 0 IFAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)C1=O ZINC000035534738 519849292 /nfs/dbraw/zinc/84/92/92/519849292.db2.gz ZVFQCGBGFYIKGN-UHFFFAOYSA-N 0 0 428.510 2.613 50 0 IFAARN CC=C1C(NCC(=O)NCc2cccc(OC)c2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020992499 519849421 /nfs/dbraw/zinc/84/94/21/519849421.db2.gz SAGUDPWABLLORO-UHFFFAOYSA-N 0 0 427.526 2.773 50 0 IFAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)C1=O ZINC000035534730 519849426 /nfs/dbraw/zinc/84/94/26/519849426.db2.gz JVABMKONBVWYMJ-UHFFFAOYSA-N 0 0 448.928 2.958 50 0 IFAARN CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(OC)cc2)C1 ZINC000034899959 519866346 /nfs/dbraw/zinc/86/63/46/519866346.db2.gz UEACOSLKGHRFRU-HMXCVIKNSA-N 0 0 429.561 2.891 50 0 IFAARN CCCC(=O)N1CCc2c(C(=O)OC)c(OCCCc3ccccc3)cc(=O)n2CC1 ZINC000012098220 519869469 /nfs/dbraw/zinc/86/94/69/519869469.db2.gz YTMKZDXZGPRFDU-UHFFFAOYSA-N 0 0 426.513 2.831 50 0 IFAARN CCCNC(=O)NC(=O)CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1 ZINC000012763635 519884367 /nfs/dbraw/zinc/88/43/67/519884367.db2.gz QVVAAAAMNYWVCP-UHFFFAOYSA-N 0 0 432.527 2.727 50 0 IFAARN CCOCCCNC(=O)[C@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)CNC(C)=O ZINC000008690874 519892725 /nfs/dbraw/zinc/89/27/25/519892725.db2.gz ABSMQHZJSTUMNZ-QFIPXVFZSA-N 0 0 445.585 2.805 50 0 IFAARN CCOCCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000022382642 519893621 /nfs/dbraw/zinc/89/36/21/519893621.db2.gz AJFUABGFJBXMDT-MRXNPFEDSA-N 0 0 433.368 2.535 50 0 IFAARN CCCn1nnnc1COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019012231 519896902 /nfs/dbraw/zinc/89/69/02/519896902.db2.gz BCHQEYOJRAIDNI-UHFFFAOYSA-N 0 0 429.502 2.574 50 0 IFAARN CCCCC(=O)N1CCN(Cc2noc(CCC(=O)N(CC)Cc3ccccc3)n2)CC1 ZINC000020936292 519907923 /nfs/dbraw/zinc/90/79/23/519907923.db2.gz FWJVFBHDHZBJLE-UHFFFAOYSA-N 0 0 441.576 2.885 50 0 IFAARN CCOCCNC(=O)CSc1nc2cc(C(=O)OCC)ccc2n1Cc1ccccn1 ZINC000023334917 519947101 /nfs/dbraw/zinc/94/71/01/519947101.db2.gz MGVOXXHKQDDQIU-UHFFFAOYSA-N 0 0 442.541 2.901 50 0 IFAARN CCOCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000057388150 520069891 /nfs/dbraw/zinc/06/98/91/520069891.db2.gz LJLHXJXWVXKXNV-UHFFFAOYSA-N 0 0 447.539 2.662 50 0 IFAARN CC1(C(=O)NCc2ccccc2)CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000035531053 520225549 /nfs/dbraw/zinc/22/55/49/520225549.db2.gz SEPPQOOEGVZGOF-UHFFFAOYSA-N 0 0 430.526 2.565 50 0 IFAARN CC1(C(=O)NCc2ccc3c(c2)OCO3)CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000035531298 520226410 /nfs/dbraw/zinc/22/64/10/520226410.db2.gz ZXGWMKCXQFUYBM-UHFFFAOYSA-N 0 0 434.489 2.662 50 0 IFAARN CCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000035380003 520313346 /nfs/dbraw/zinc/31/33/46/520313346.db2.gz ZCMDEGPNAZFRRA-HXUWFJFHSA-N 0 0 448.523 2.880 50 0 IFAARN CCN(CC(=O)NC(C)(C)C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000022240790 520323745 /nfs/dbraw/zinc/32/37/45/520323745.db2.gz MKDQLSSZCPELFR-HNNXBMFYSA-N 0 0 428.455 2.529 50 0 IFAARN CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000012633772 520336645 /nfs/dbraw/zinc/33/66/45/520336645.db2.gz PDLJSNBGCUDJNU-NRFANRHFSA-N 0 0 429.948 2.595 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000012913188 520363191 /nfs/dbraw/zinc/36/31/91/520363191.db2.gz KLZNBFKOPIYYRS-UXBLZVDNSA-N 0 0 426.469 2.975 50 0 IFAARN CCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000016588256 520368293 /nfs/dbraw/zinc/36/82/93/520368293.db2.gz JIYJSRRJFAAXLK-UHFFFAOYSA-N 0 0 442.907 2.828 50 0 IFAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2nc(C)cs2)c2ncnn2[C@@H]1c1ccccc1 ZINC000021350440 520477370 /nfs/dbraw/zinc/47/73/70/520477370.db2.gz KNIUMFJDLRVLIN-GOSISDBHSA-N 0 0 438.513 2.928 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000020928567 520516902 /nfs/dbraw/zinc/51/69/02/520516902.db2.gz XQYFDACMIGVVCI-JOCHJYFZSA-N 0 0 435.590 2.591 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3ccccc3Cl)C(=O)[C@@]2(c2ccc(Cl)cc2)NN1 ZINC000035146834 520544417 /nfs/dbraw/zinc/54/44/17/520544417.db2.gz CMKCUMNBOZASHU-YWZLYKJASA-N 0 0 432.263 2.901 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)CC1 ZINC000035423263 520571089 /nfs/dbraw/zinc/57/10/89/520571089.db2.gz BTPFHDLTGHDQSD-UHFFFAOYSA-N 0 0 448.479 2.706 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000035596758 520574561 /nfs/dbraw/zinc/57/45/61/520574561.db2.gz OJTSGDQAKTYCMH-UHFFFAOYSA-N 0 0 437.543 2.706 50 0 IFAARN CC1(C)Cc2cccc(OCCCS(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c2O1 ZINC000012440570 520584442 /nfs/dbraw/zinc/58/44/42/520584442.db2.gz UQLPYXIDLPXQAC-UHFFFAOYSA-N 0 0 448.541 2.550 50 0 IFAARN CCOC(=O)CCC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000009661180 520622812 /nfs/dbraw/zinc/62/28/12/520622812.db2.gz PQPMMHOLUADKQA-UHFFFAOYSA-N 0 0 437.435 2.731 50 0 IFAARN CCCCNC(=O)Nc1cccc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)OCCOC)c1 ZINC000016610850 520645585 /nfs/dbraw/zinc/64/55/85/520645585.db2.gz FHSONXRRNATCLT-SFHVURJKSA-N 0 0 434.562 2.933 50 0 IFAARN CCOc1cc(Br)c(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000020444916 520649220 /nfs/dbraw/zinc/64/92/20/520649220.db2.gz IENSPAPYFICTAY-FZMZJTMJSA-N 0 0 435.365 2.900 50 0 IFAARN CCOc1cc(Br)c(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000020444911 520649426 /nfs/dbraw/zinc/64/94/26/520649426.db2.gz IENSPAPYFICTAY-RISCZKNCSA-N 0 0 435.365 2.900 50 0 IFAARN CC1(C)c2cc(S(=O)(=O)N3CCCC3)ccc2N(CC(=O)NC2CCCCC2)C1=O ZINC000035398691 520684242 /nfs/dbraw/zinc/68/42/42/520684242.db2.gz YNIXHVRNRBKZCF-UHFFFAOYSA-N 0 0 433.574 2.544 50 0 IFAARN CCOC(=O)CCNC(=O)N1CCn2cccc2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000012344919 520684516 /nfs/dbraw/zinc/68/45/16/520684516.db2.gz GOALGPKYNLYIMU-HXUWFJFHSA-N 0 0 431.489 2.582 50 0 IFAARN CCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(Br)ccc1OCC ZINC000012137743 520715453 /nfs/dbraw/zinc/71/54/53/520715453.db2.gz UNYWDVVZLQTLJB-OAHLLOKOSA-N 0 0 441.322 2.522 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000012632346 520749994 /nfs/dbraw/zinc/74/99/94/520749994.db2.gz SSMGJCKFACXSSM-HNNXBMFYSA-N 0 0 431.489 2.671 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c1 ZINC000036628807 520796691 /nfs/dbraw/zinc/79/66/91/520796691.db2.gz NBQILLSWQBGJQS-QVKFZJNVSA-N 0 0 447.557 2.950 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c1 ZINC000036628801 520796905 /nfs/dbraw/zinc/79/69/05/520796905.db2.gz NBQILLSWQBGJQS-YCRPNKLZSA-N 0 0 447.557 2.950 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)CCn2c3ccccc3oc2=O)c1 ZINC000012523488 520802220 /nfs/dbraw/zinc/80/22/20/520802220.db2.gz KYFBSSUOBPOQPD-UHFFFAOYSA-N 0 0 446.529 2.696 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccc1)CCS2 ZINC000021094229 520811591 /nfs/dbraw/zinc/81/15/91/520811591.db2.gz KEOZLWUQVFOVMT-UHFFFAOYSA-N 0 0 433.599 2.946 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(N)=O)n2CC(C)C)c1 ZINC000012692139 520817123 /nfs/dbraw/zinc/81/71/23/520817123.db2.gz NZWVXBDEZAWTKK-AWEZNQCLSA-N 0 0 439.607 2.598 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 ZINC000022356117 520819746 /nfs/dbraw/zinc/81/97/46/520819746.db2.gz DZBYIURWNHNMTD-INIZCTEOSA-N 0 0 444.557 2.893 50 0 IFAARN CCOc1ccc(-c2noc(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)n2)cc1OC ZINC000035375143 520829526 /nfs/dbraw/zinc/82/95/26/520829526.db2.gz WNOILOHXGRPOMC-KRWDZBQOSA-N 0 0 430.505 2.656 50 0 IFAARN CCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000015525291 520866677 /nfs/dbraw/zinc/86/66/77/520866677.db2.gz FDZLVUOUCDMVKA-MRXNPFEDSA-N 0 0 432.542 2.876 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1OCC ZINC000021140113 520906514 /nfs/dbraw/zinc/90/65/14/520906514.db2.gz KMOCAAVBIIFBRJ-INIZCTEOSA-N 0 0 440.496 2.735 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CCn2nc(-c3cccc(Cl)c3)ccc2=O)CC1 ZINC000041253674 520925951 /nfs/dbraw/zinc/92/59/51/520925951.db2.gz WKFLHZVGKUENGT-UHFFFAOYSA-N 0 0 432.908 2.691 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CCN(Cc2nc4ccccc4[nH]2)CC3)CC1 ZINC000012242511 520929790 /nfs/dbraw/zinc/92/97/90/520929790.db2.gz WCSPZNREZLYODX-GOSISDBHSA-N 0 0 439.560 2.902 50 0 IFAARN CCOc1ccc(CC(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)cc1 ZINC000023139255 520939495 /nfs/dbraw/zinc/93/94/95/520939495.db2.gz IHHXRZGHOLJPGW-QGZVFWFLSA-N 0 0 444.557 2.505 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CSc2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1 ZINC000012140450 520944868 /nfs/dbraw/zinc/94/48/68/520944868.db2.gz OBHXFRSZUGJXLK-UHFFFAOYSA-N 0 0 446.529 2.554 50 0 IFAARN CCOc1ccc(CCNC(=O)c2cnc3sc(N4CCC[C@@H](C)C4)nn3c2=O)cc1 ZINC000021537752 520954820 /nfs/dbraw/zinc/95/48/20/520954820.db2.gz DUVWCDRWENKZMP-OAHLLOKOSA-N 0 0 441.557 2.759 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@H](c1cccs1)c1ccccc1)C2=O ZINC000012909744 520965261 /nfs/dbraw/zinc/96/52/61/520965261.db2.gz TXRWTBCALTZKPW-WDALLZDZSA-N 0 0 426.542 2.959 50 0 IFAARN CC1CCN(C(=O)CCC(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)CC1 ZINC000035398978 520973576 /nfs/dbraw/zinc/97/35/76/520973576.db2.gz QUPOGTHHRDTVGJ-UHFFFAOYSA-N 0 0 447.601 2.835 50 0 IFAARN CC1CCN(C(=O)CSc2nnc3n2-c2sc4c(c2-c2ncnn2-3)CCC4)CC1 ZINC000013803587 520979849 /nfs/dbraw/zinc/97/98/49/520979849.db2.gz NDVKEEIEIDJXKD-UHFFFAOYSA-N 0 0 427.559 2.729 50 0 IFAARN CC1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3Br)s2)CC1 ZINC000015941965 521033424 /nfs/dbraw/zinc/03/34/24/521033424.db2.gz WJXOAIYIBNJNFY-UHFFFAOYSA-N 0 0 445.364 2.974 50 0 IFAARN CC1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)cn3C)cc2)CC1 ZINC000018232391 521043439 /nfs/dbraw/zinc/04/34/39/521043439.db2.gz OKEFCFXODDEPOW-UHFFFAOYSA-N 0 0 446.573 2.535 50 0 IFAARN CCN(CC[NH+](C)C)c1ncc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000035397480 521046383 /nfs/dbraw/zinc/04/63/83/521046383.db2.gz ABMKFIYMUYHNQA-UHFFFAOYSA-N 0 0 434.562 2.894 50 0 IFAARN CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)cc1 ZINC000012347977 521069754 /nfs/dbraw/zinc/06/97/54/521069754.db2.gz QKQVQUBHDQDXJB-UHFFFAOYSA-N 0 0 445.932 2.726 50 0 IFAARN CCC(=O)N(c1nnc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)s1)C1CC1 ZINC000012675782 521091139 /nfs/dbraw/zinc/09/11/39/521091139.db2.gz FSQWIJCNSIGGES-NSHDSACASA-N 0 0 434.543 2.969 50 0 IFAARN CCC(=O)N1CCN(Cc2nc3cc(NC(=O)COc4cccc(C)c4)ccc3n2C)CC1 ZINC000020677354 521122457 /nfs/dbraw/zinc/12/24/57/521122457.db2.gz WXXQNMOTWWWEAU-UHFFFAOYSA-N 0 0 449.555 2.953 50 0 IFAARN CCOc1ccc(Nc2ncccc2C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000012537125 521140529 /nfs/dbraw/zinc/14/05/29/521140529.db2.gz FOBPEUHPWVQYSU-UHFFFAOYSA-N 0 0 426.498 2.801 50 0 IFAARN CCOc1ccc(OCC)c(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccccc2)c1 ZINC000021648018 521168083 /nfs/dbraw/zinc/16/80/83/521168083.db2.gz GTJXVNYUVJACKC-SFHVURJKSA-N 0 0 432.498 2.802 50 0 IFAARN CCC(=O)N[C@@H](c1nnc2n1CCN(C(=O)/C=C/c1ccc(F)cc1F)CC2)C(C)C ZINC000012122454 521175907 /nfs/dbraw/zinc/17/59/07/521175907.db2.gz WGZKLMVJNMBSNQ-HSTAZWAASA-N 0 0 431.487 2.878 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000012569846 521187174 /nfs/dbraw/zinc/18/71/74/521187174.db2.gz CDCQKASYZALFRI-FQEVSTJZSA-N 0 0 448.541 2.584 50 0 IFAARN CCC(=O)N[C@H](c1nnc2n1CCN(C(=O)/C=C/c1ccc(F)cc1F)CC2)C(C)C ZINC000012122444 521187948 /nfs/dbraw/zinc/18/79/48/521187948.db2.gz WGZKLMVJNMBSNQ-PVHVJQTOSA-N 0 0 431.487 2.878 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)OC)cc1 ZINC000020921069 521200160 /nfs/dbraw/zinc/20/01/60/521200160.db2.gz OKBYFGKUTCIIOI-IBGZPJMESA-N 0 0 449.525 2.954 50 0 IFAARN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccc2OC)cc1Cl ZINC000012843620 521203382 /nfs/dbraw/zinc/20/33/82/521203382.db2.gz WXRSLSGPVXBCMB-ZDUSSCGKSA-N 0 0 426.922 2.731 50 0 IFAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)COc1ccccc1)[C@@H](C(=O)N1CCCC1)C2 ZINC000065166958 521219762 /nfs/dbraw/zinc/21/97/62/521219762.db2.gz FYGIHVRMMXPRTI-JOCHJYFZSA-N 0 0 435.524 2.990 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cn(C3CCCC3)cc(C(=O)NCC(C)C)c2=O)C1 ZINC000012156216 521296158 /nfs/dbraw/zinc/29/61/58/521296158.db2.gz LDTHRTYIAVXKJI-KRWDZBQOSA-N 0 0 445.560 2.765 50 0 IFAARN CCOC(=O)[C@H]1CCCN(c2nc(COC)nc3c2cnn3-c2ccc(OC)cc2)C1 ZINC000035990204 521304033 /nfs/dbraw/zinc/30/40/33/521304033.db2.gz VZRLQMNEBPVHGL-HNNXBMFYSA-N 0 0 425.489 2.750 50 0 IFAARN CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCc5ccccc54)CC3)c2c1 ZINC000022752862 521310664 /nfs/dbraw/zinc/31/06/64/521310664.db2.gz RIOFFQYFQSEETA-UHFFFAOYSA-N 0 0 447.535 2.899 50 0 biogenic,in-vitro IFAARN CCC(C)(C)NC(=O)CN1c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2CCC1=O ZINC000035428952 521317006 /nfs/dbraw/zinc/31/70/06/521317006.db2.gz CVTXTRRRQNLRKD-INIZCTEOSA-N 0 0 435.590 2.834 50 0 IFAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022805175 521322118 /nfs/dbraw/zinc/32/21/18/521322118.db2.gz NLUWZCVUYSFAAO-UHFFFAOYSA-N 0 0 443.519 2.729 50 0 IFAARN CCCc1cc(=O)oc2cc(OCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)ccc12 ZINC000021619445 521348749 /nfs/dbraw/zinc/34/87/49/521348749.db2.gz OXJYSKPJNTZJDS-QGZVFWFLSA-N 0 0 435.542 2.796 50 0 IFAARN CCCCn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2Cc2ccc(F)cc2)n(C)c1=O ZINC000012232070 521356908 /nfs/dbraw/zinc/35/69/08/521356908.db2.gz UGBQQXJGAMDYPS-UHFFFAOYSA-N 0 0 438.507 2.995 50 0 IFAARN CCCCn1c2nc(CSc3nccn3-c3ccc(OC)cc3)n(C)c2c(=O)[nH]c1=O ZINC000012530892 521378206 /nfs/dbraw/zinc/37/82/06/521378206.db2.gz FPQHOBOLWYJTCR-UHFFFAOYSA-N 0 0 440.529 2.710 50 0 IFAARN CCCc1ccc(-c2csc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)n2)cc1 ZINC000014252922 521388877 /nfs/dbraw/zinc/38/88/77/521388877.db2.gz UJWUXPCNTLVRIW-UHFFFAOYSA-N 0 0 435.509 2.961 50 0 IFAARN CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)sc2c1CCCC2 ZINC000036007366 521409419 /nfs/dbraw/zinc/40/94/19/521409419.db2.gz YOQAQGYFHAHOCG-UHFFFAOYSA-N 0 0 445.541 2.793 50 0 IFAARN CCCCn1nnnc1COC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000024108227 521412348 /nfs/dbraw/zinc/41/23/48/521412348.db2.gz YWVBCHXFZLVRBA-UHFFFAOYSA-N 0 0 449.577 2.543 50 0 IFAARN CCCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000012749770 521425682 /nfs/dbraw/zinc/42/56/82/521425682.db2.gz FIIXMBHWUFBQHA-MRXNPFEDSA-N 0 0 438.571 2.796 50 0 IFAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C(=O)C1CC1 ZINC000036030710 521432239 /nfs/dbraw/zinc/43/22/39/521432239.db2.gz UJIUFDDTXYGAAO-IBGZPJMESA-N 0 0 449.548 2.934 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(CC)c2)cn1C ZINC000035376233 521448261 /nfs/dbraw/zinc/44/82/61/521448261.db2.gz BVXLDMVJRWXGDB-SFHVURJKSA-N 0 0 433.530 2.556 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(c1cccc(OC)c1)C2=O ZINC000021878987 521451045 /nfs/dbraw/zinc/45/10/45/521451045.db2.gz PDNARDUTHOIOBJ-QHCPKHFHSA-N 0 0 440.500 2.546 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(c1ccc(OC)cc1)C2=O ZINC000021781323 521453551 /nfs/dbraw/zinc/45/35/51/521453551.db2.gz HILFZNIIUDKLJL-QHCPKHFHSA-N 0 0 442.516 2.650 50 0 IFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(C)cc1C ZINC000015883427 521453876 /nfs/dbraw/zinc/45/38/76/521453876.db2.gz UDJZMDXWJLNBHH-UHFFFAOYSA-N 0 0 426.542 2.932 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(CCc1cccs1)C2=O ZINC000021879120 521455204 /nfs/dbraw/zinc/45/52/04/521455204.db2.gz OMRPMMIRXBPMKZ-JOCHJYFZSA-N 0 0 444.557 2.637 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C2=O ZINC000021879077 521455289 /nfs/dbraw/zinc/45/52/89/521455289.db2.gz DOLJGWXBNUYXKI-XMMPIXPASA-N 0 0 438.528 2.842 50 0 IFAARN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2F)C1 ZINC000035325259 521490202 /nfs/dbraw/zinc/49/02/02/521490202.db2.gz FDZXWWOADCGMDX-SFHVURJKSA-N 0 0 449.548 2.934 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000020901396 521512780 /nfs/dbraw/zinc/51/27/80/521512780.db2.gz USSYFOIEFMFDPG-HNNXBMFYSA-N 0 0 443.529 2.697 50 0 IFAARN CCOc1ccccc1N1C[C@H](C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1=O ZINC000016046653 521520155 /nfs/dbraw/zinc/52/01/55/521520155.db2.gz ZTVLEEGZZJGTES-GOSISDBHSA-N 0 0 436.512 2.815 50 0 IFAARN CCOc1ccccc1NC(=O)CN1C(=O)COc2ccc(C(=O)N(CC)CC)cc21 ZINC000035377099 521527533 /nfs/dbraw/zinc/52/75/33/521527533.db2.gz KSVCLKSZQCQPKT-UHFFFAOYSA-N 0 0 425.485 2.931 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c2ccccc2nc(CCC(=O)NC2CC2)c1=O ZINC000033141626 521534544 /nfs/dbraw/zinc/53/45/44/521534544.db2.gz FXOFRNPBTNOJEH-UHFFFAOYSA-N 0 0 434.496 2.645 50 0 IFAARN CCN1C2=C(C(=O)N(CC(=O)N3CCCC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035967526 521542386 /nfs/dbraw/zinc/54/23/86/521542386.db2.gz QCKDVCBZGUJOGK-SFHVURJKSA-N 0 0 436.434 2.510 50 0 IFAARN CCN1C2=C(C(=O)N([C@H](C(=O)NC)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966564 521542873 /nfs/dbraw/zinc/54/28/73/521542873.db2.gz RTUWQRMWCMIIBJ-SJORKVTESA-N 0 0 438.450 2.659 50 0 IFAARN CCN1C2=C(C(=O)N(CCC(=O)NCc3ccco3)C2)[C@@H](c2ccccc2Cl)NC1=O ZINC000035945385 521543416 /nfs/dbraw/zinc/54/34/16/521543416.db2.gz URUIZPDHYUIXJY-HXUWFJFHSA-N 0 0 442.903 2.822 50 0 IFAARN CCOC(=O)c1ccccc1N1C(=O)/C(=C\c2cccc(OCCO)c2)N(C)C1=S ZINC000022665417 521550494 /nfs/dbraw/zinc/55/04/94/521550494.db2.gz GQWCJHKOCUANBK-XMHGGMMESA-N 0 0 426.494 2.839 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(NC(=O)c2cc(C)on2)s1 ZINC000042379175 521552069 /nfs/dbraw/zinc/55/20/69/521552069.db2.gz ONCFOGSBOLJKKE-UHFFFAOYSA-N 0 0 447.498 2.994 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1cc(C(=O)OCC)c(=O)c2ccc(C)nc21 ZINC000020986473 521553027 /nfs/dbraw/zinc/55/30/27/521553027.db2.gz AHDVAGWTHUBOSX-UHFFFAOYSA-N 0 0 437.452 2.697 50 0 IFAARN CCOC(=O)c1cn(CC(=O)Nc2cc(OC)cc(OC)c2)c2nc(C)ccc2c1=O ZINC000020986415 521566545 /nfs/dbraw/zinc/56/65/45/521566545.db2.gz NEJCPIGEYOQDRQ-UHFFFAOYSA-N 0 0 425.441 2.538 50 0 IFAARN CCCc1noc(Cn2cnc3c4cc(C)ccc4n(CC(=O)N[C@@H](C)CC)c3c2=O)n1 ZINC000033281188 521591498 /nfs/dbraw/zinc/59/14/98/521591498.db2.gz OPKUPRGKXDSKFW-HNNXBMFYSA-N 0 0 436.516 2.958 50 0 IFAARN CCCn1c(=O)cc(C(=O)Nc2ccccc2Cl)c2c(=O)n(CCC)c(=O)n(C)c21 ZINC000035422407 521619351 /nfs/dbraw/zinc/61/93/51/521619351.db2.gz RNNWSPJYGSJCMU-UHFFFAOYSA-N 0 0 430.892 2.588 50 0 IFAARN CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CN1CCOCC1)CO[C@@](C)(CC)C3 ZINC000020646758 521620226 /nfs/dbraw/zinc/62/02/26/521620226.db2.gz JTFZVPKNHFHFAA-QFIPXVFZSA-N 0 0 447.557 2.985 50 0 IFAARN CCOc1nn(CC)cc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000012873420 521626906 /nfs/dbraw/zinc/62/69/06/521626906.db2.gz HPFPKOAFIDFGSE-UHFFFAOYSA-N 0 0 430.490 2.557 50 0 IFAARN CCCn1c2c(nc1-n1nc(C)cc1C)n(C)c(=O)n(Cc1cccc(Cl)c1)c2=O ZINC000012231476 521636045 /nfs/dbraw/zinc/63/60/45/521636045.db2.gz VFCHGQFWSKFBKC-UHFFFAOYSA-N 0 0 426.908 2.811 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2ccccc2C)[C@](C)(C(=O)NC2CCCCCCC2)C1 ZINC000020928238 521659939 /nfs/dbraw/zinc/65/99/39/521659939.db2.gz URWBHXAVPFMJBO-QHCPKHFHSA-N 0 0 449.617 2.981 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2cc(C)cc(C)c2)[C@@](C)(C(=O)NC2CCCCCC2)C1 ZINC000020928377 521660216 /nfs/dbraw/zinc/66/02/16/521660216.db2.gz YXOMLGBELDEJJL-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN CCN1CCN(C(=O)C2CCN(Cc3cc(Br)c(O)c(OC)c3)CC2)CC1 ZINC000012630987 521662207 /nfs/dbraw/zinc/66/22/07/521662207.db2.gz YTBBNERVRYXRSP-UHFFFAOYSA-N 0 0 440.382 2.539 50 0 IFAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000021887623 521663272 /nfs/dbraw/zinc/66/32/72/521663272.db2.gz VHEKMMBLEPTXSG-UHFFFAOYSA-N 0 0 446.447 2.702 50 0 IFAARN CCN1CCN(C(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c3ccccc32)CC1 ZINC000022767600 521663965 /nfs/dbraw/zinc/66/39/65/521663965.db2.gz PFUJIAFTNYQWLL-UHFFFAOYSA-N 0 0 425.554 2.947 50 0 IFAARN CCN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)CC1 ZINC000022132123 521667710 /nfs/dbraw/zinc/66/77/10/521667710.db2.gz UMEACWHIEGRKOG-KRWDZBQOSA-N 0 0 437.569 2.734 50 0 IFAARN CCCN(C[C@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(CCCOC)C1=O ZINC000012571008 521677935 /nfs/dbraw/zinc/67/79/35/521677935.db2.gz HPEZVWDZRQDPOW-NLFFAJNJSA-N 0 0 444.572 2.836 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2nc3c(cc(C)cc3C)s2)C1=O ZINC000023819068 521691356 /nfs/dbraw/zinc/69/13/56/521691356.db2.gz VIRRMESMLXGBKW-UHFFFAOYSA-N 0 0 432.502 2.505 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)C1=O ZINC000023674642 521692227 /nfs/dbraw/zinc/69/22/27/521692227.db2.gz JKAKOPYKULQSOI-LBPRGKRZSA-N 0 0 439.896 2.638 50 0 IFAARN CCCN1C(=O)[C@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)N=C1c1ccccc1 ZINC000020622651 521701485 /nfs/dbraw/zinc/70/14/85/521701485.db2.gz IHBMRUYNNZKBJX-SFHVURJKSA-N 0 0 425.432 2.923 50 0 IFAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(C)o3)ncn2C[C@]1(C)C(=O)NCCC(C)C ZINC000021919369 521702125 /nfs/dbraw/zinc/70/21/25/521702125.db2.gz CDKMANSZKQZDJK-HSZRJFAPSA-N 0 0 443.548 2.501 50 0 IFAARN C=C1C(N2CCC(C(=O)NCCCOCC)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000015733051 521710252 /nfs/dbraw/zinc/71/02/52/521710252.db2.gz WHIZDOTYAXUUOH-UHFFFAOYSA-N 0 0 437.537 2.553 50 0 IFAARN CCOCCCNC(=O)C1CCN(c2c(NC(C)=O)c(C)nn2-c2ccccc2)CC1 ZINC000021650444 521710792 /nfs/dbraw/zinc/71/07/92/521710792.db2.gz ZENFDNCINJWSPT-UHFFFAOYSA-N 0 0 427.549 2.898 50 0 IFAARN CCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)[C@H](C)CC ZINC000036023998 521739150 /nfs/dbraw/zinc/73/91/50/521739150.db2.gz SKFDJXNRDYRHRL-LJQANCHMSA-N 0 0 438.576 2.931 50 0 IFAARN COC(=O)c1c(C)c(C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(OC)cc2)c(C)n1C ZINC000036014466 521751291 /nfs/dbraw/zinc/75/12/91/521751291.db2.gz YAQHAWIVUJDETP-IBGZPJMESA-N 0 0 442.512 2.941 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnnn2Cc2ccc(OC)cc2)c1C ZINC000016369074 521751908 /nfs/dbraw/zinc/75/19/08/521751908.db2.gz CADHAHBZNMONTM-ZDUSSCGKSA-N 0 0 429.502 2.825 50 0 IFAARN COc1c(C)cc(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)c(C)c1C ZINC000009661049 521799692 /nfs/dbraw/zinc/79/96/92/521799692.db2.gz DGHMWZIABJGAMW-UHFFFAOYSA-N 0 0 445.516 2.962 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000012853046 521833757 /nfs/dbraw/zinc/83/37/57/521833757.db2.gz BKHDUSZBIIABSC-UHFFFAOYSA-N 0 0 429.542 2.792 50 0 IFAARN CC[C@@H](C(=O)NCCCN1CCCC1=O)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020467047 521838184 /nfs/dbraw/zinc/83/81/84/521838184.db2.gz OWELCCKXLTZRIG-INIZCTEOSA-N 0 0 426.542 2.999 50 0 IFAARN CC[C@@H](C(=O)NCc1cc(Br)ccc1OC)N1c2cc(C)nn2CCC1=O ZINC000020943712 521849045 /nfs/dbraw/zinc/84/90/45/521849045.db2.gz VZTAGONOBXGMJS-HNNXBMFYSA-N 0 0 435.322 2.794 50 0 IFAARN COC(=O)c1cc(NC(=O)C2CCN(C(=O)c3ccsc3)CC2)cc(C(=O)OC)c1 ZINC000040062630 521879141 /nfs/dbraw/zinc/87/91/41/521879141.db2.gz MYOJYHZVJINRQM-UHFFFAOYSA-N 0 0 430.482 2.812 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 ZINC000021891980 521899065 /nfs/dbraw/zinc/89/90/65/521899065.db2.gz SSLWQVXDTQNTFI-AATRIKPKSA-N 0 0 429.425 2.922 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC ZINC000012871155 521899873 /nfs/dbraw/zinc/89/98/73/521899873.db2.gz XJNZWGUMUSASPG-KRWDZBQOSA-N 0 0 428.441 2.622 50 0 IFAARN CCc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000035449176 521901107 /nfs/dbraw/zinc/90/11/07/521901107.db2.gz HATHHEHWQJRSMQ-SFHVURJKSA-N 0 0 443.525 2.680 50 0 IFAARN COc1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc2c1OCCO2 ZINC000012796667 521931296 /nfs/dbraw/zinc/93/12/96/521931296.db2.gz NZNCQGUMJHCMEH-VMPITWQZSA-N 0 0 430.482 2.559 50 0 IFAARN COc1cc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1O ZINC000022357401 521937162 /nfs/dbraw/zinc/93/71/62/521937162.db2.gz HTSNAWWCEMKTBM-IGKXFLDPSA-N 0 0 426.469 2.821 50 0 IFAARN CC[C@@H](C)CC(=O)N1CCc2c(sc(S(=O)(=O)N3CCCC3)c2C(=O)OC)C1 ZINC000012281132 521938358 /nfs/dbraw/zinc/93/83/58/521938358.db2.gz UHUZXAFDGMGKFA-CYBMUJFWSA-N 0 0 428.576 2.640 50 0 IFAARN CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)ccc1Cl ZINC000012860712 521971057 /nfs/dbraw/zinc/97/10/57/521971057.db2.gz FGIDGAVJGYGNOL-UHFFFAOYSA-N 0 0 435.933 2.869 50 0 IFAARN CC[C@@H](C)CN1C(=O)[C@@H](C(C)C)NC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000036024589 521988796 /nfs/dbraw/zinc/98/87/96/521988796.db2.gz AGMTVAMWIBGUPQ-VQIMIIECSA-N 0 0 425.570 2.809 50 0 IFAARN CC[C@H](C)[C@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(C)C1=O ZINC000036029186 522011679 /nfs/dbraw/zinc/01/16/79/522011679.db2.gz CAXXSWXVARKAGP-BLLLJJGKSA-N 0 0 434.389 2.951 50 0 IFAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccc2c(c1)OCO2 ZINC000012196902 522030033 /nfs/dbraw/zinc/03/00/33/522030033.db2.gz LTWQBFTUCUMLAG-NSHDSACASA-N 0 0 433.349 2.821 50 0 IFAARN COc1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc(OC)c1Br ZINC000022991694 522066197 /nfs/dbraw/zinc/06/61/97/522066197.db2.gz APNKVYPJYHRBCL-UHFFFAOYSA-N 0 0 425.323 2.941 50 0 IFAARN CC[C@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCCc3ccccc3)ccc21 ZINC000033023788 522085324 /nfs/dbraw/zinc/08/53/24/522085324.db2.gz DUYQCGNMDKBEOU-KRWDZBQOSA-N 0 0 443.573 2.772 50 0 IFAARN CN(C)[C@H](CNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc2c(c1)OCO2 ZINC000012196771 522087999 /nfs/dbraw/zinc/08/79/99/522087999.db2.gz VALOGFLROHNMQX-LJQANCHMSA-N 0 0 445.541 2.513 50 0 IFAARN COc1cc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)ccc1OC(F)F ZINC000016964476 522094996 /nfs/dbraw/zinc/09/49/96/522094996.db2.gz MFZRKSTWCGCARD-LJQANCHMSA-N 0 0 448.422 2.563 50 0 IFAARN COc1cc(C(=O)NCC(=O)OCC(=O)c2ccc(Cl)s2)cc(OC)c1OC ZINC000020789810 522103484 /nfs/dbraw/zinc/10/34/84/522103484.db2.gz WDTQIZOQFUQHPS-UHFFFAOYSA-N 0 0 427.862 2.583 50 0 IFAARN COc1cc(C(=O)NCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000012540501 522103606 /nfs/dbraw/zinc/10/36/06/522103606.db2.gz QPXVVMXPWRANLP-QGZVFWFLSA-N 0 0 438.484 2.682 50 0 IFAARN COCCn1nc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)ccc1=O ZINC000022324335 522146176 /nfs/dbraw/zinc/14/61/76/522146176.db2.gz XXFMIENBIZPEBS-UHFFFAOYSA-N 0 0 443.507 2.732 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000012745352 522151035 /nfs/dbraw/zinc/15/10/35/522151035.db2.gz HBOHPHCQADPDSA-UHFFFAOYSA-N 0 0 428.510 2.719 50 0 IFAARN COc1cc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OCC(N)=O ZINC000021739316 522170331 /nfs/dbraw/zinc/17/03/31/522170331.db2.gz CPFYWJRPDVFAQV-UHFFFAOYSA-N 0 0 442.251 2.914 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(S[C@@H](C)c1nc(C)no1)n(C[C@@H]1CCCO1)c2=O ZINC000012821161 522186274 /nfs/dbraw/zinc/18/62/74/522186274.db2.gz STKRGEKADTWOBE-FZMZJTMJSA-N 0 0 430.486 2.907 50 0 IFAARN CNS(=O)(=O)Cc1ccc(CNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000012588998 522212476 /nfs/dbraw/zinc/21/24/76/522212476.db2.gz LBNPNNCBBBHUBT-UHFFFAOYSA-N 0 0 434.518 2.653 50 0 IFAARN COc1cc(C)cc2oc(=O)c(CC(=O)N3CCN(CCc4ccccn4)CC3)c(C)c12 ZINC000020623374 522252911 /nfs/dbraw/zinc/25/29/11/522252911.db2.gz IGWGNHRZCPGJDS-UHFFFAOYSA-N 0 0 435.524 2.743 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CSc1nc2c(nc[nH]c2=O)n1-c1ccc(C)cc1 ZINC000012462138 522272880 /nfs/dbraw/zinc/27/28/80/522272880.db2.gz BYODDSCRDVIWDV-UHFFFAOYSA-N 0 0 449.492 2.935 50 0 biogenic,in-vitro IFAARN CNS(=O)(=O)c1ccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 ZINC000012780759 522290098 /nfs/dbraw/zinc/29/00/98/522290098.db2.gz OKRCYBWWEFWAKW-UHFFFAOYSA-N 0 0 437.525 2.979 50 0 IFAARN CNS(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1 ZINC000016046378 522290571 /nfs/dbraw/zinc/29/05/71/522290571.db2.gz HCKQXQUFDXMVRG-UHFFFAOYSA-N 0 0 434.477 2.546 50 0 IFAARN COc1cc(CCNC(C)=O)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000015083721 522335263 /nfs/dbraw/zinc/33/52/63/522335263.db2.gz IIPPIEBWBIGXEF-UHFFFAOYSA-N 0 0 432.473 2.661 50 0 IFAARN COc1cc(CN(C2CC2)S(=O)(=O)c2ccc(C(N)=O)cc2)ccc1OC(F)F ZINC000012812258 522358813 /nfs/dbraw/zinc/35/88/13/522358813.db2.gz ALAUVHDIIMTYFH-UHFFFAOYSA-N 0 0 426.441 2.749 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)ccc1OC)C(=O)OC ZINC000020762915 522374503 /nfs/dbraw/zinc/37/45/03/522374503.db2.gz YQDYWYLIQHDLLL-ORPRQENYSA-N 0 0 430.505 2.672 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000012140131 522411968 /nfs/dbraw/zinc/41/19/68/522411968.db2.gz OFGOYEATELNWDH-UHFFFAOYSA-N 0 0 441.509 2.776 50 0 IFAARN CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000020761880 522470588 /nfs/dbraw/zinc/47/05/88/522470588.db2.gz XFNJXLXJLQQEFN-UHFFFAOYSA-N 0 0 443.953 2.521 50 0 IFAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000024738720 522505689 /nfs/dbraw/zinc/50/56/89/522505689.db2.gz ZJTOELNSPPURRL-UHFFFAOYSA-N 0 0 432.402 2.760 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000035336505 522516606 /nfs/dbraw/zinc/51/66/06/522516606.db2.gz HVVQMTYZLLHJTA-UHFFFAOYSA-N 0 0 445.479 2.517 50 0 IFAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000012913558 522625353 /nfs/dbraw/zinc/62/53/53/522625353.db2.gz QSOYGJRNGJCUTE-LBPRGKRZSA-N 0 0 430.885 2.810 50 0 IFAARN COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NCCc1c[nH]cn1 ZINC000020919854 522645706 /nfs/dbraw/zinc/64/57/06/522645706.db2.gz GWWYCGDTNWZCFL-UHFFFAOYSA-N 0 0 436.921 2.978 50 0 IFAARN COCC(=O)N1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[C@@H](c2ccc(F)c(C)c2)C1 ZINC000034715225 522754238 /nfs/dbraw/zinc/75/42/38/522754238.db2.gz NMJFGGWAFZFEKQ-RTBURBONSA-N 0 0 442.487 2.758 50 0 IFAARN COc1cc(OC)c(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(OC)c1 ZINC000016349642 522787334 /nfs/dbraw/zinc/78/73/34/522787334.db2.gz FYMJESINYMCBFU-GZTJUZNOSA-N 0 0 425.441 2.552 50 0 IFAARN COCC(=O)Nc1cnn(-c2ccc(C(=O)N3CCN(C)[C@H](c4ccccc4)C3)cc2)c1 ZINC000020992726 522788017 /nfs/dbraw/zinc/78/80/17/522788017.db2.gz PWFKBCKIHLCBAF-QFIPXVFZSA-N 0 0 433.512 2.586 50 0 IFAARN COc1cc(OC)c(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000012759100 522815939 /nfs/dbraw/zinc/81/59/39/522815939.db2.gz VOJADSDWBLWLBY-OAHLLOKOSA-N 0 0 438.933 2.989 50 0 IFAARN CC[C@H](O)CNC(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C1CC1 ZINC000012281068 522818422 /nfs/dbraw/zinc/81/84/22/522818422.db2.gz YZFROPOORPNRQD-HNNXBMFYSA-N 0 0 437.500 2.725 50 0 IFAARN COC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000012149682 522821423 /nfs/dbraw/zinc/82/14/23/522821423.db2.gz USDNIOXSVMPXSC-GJZUVCINSA-N 0 0 449.551 2.739 50 0 IFAARN CCc1noc(C)c1C(=O)N(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012902034 522824859 /nfs/dbraw/zinc/82/48/59/522824859.db2.gz VIDRGEDXMYZPNA-UHFFFAOYSA-N 0 0 439.516 2.719 50 0 IFAARN COc1cc([C@@H](CC(=O)N2CCOCC2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561616 522912239 /nfs/dbraw/zinc/91/22/39/522912239.db2.gz UHLANPAXOSQEPV-LJQANCHMSA-N 0 0 440.496 2.658 50 0 IFAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)ccc1OCC(N)=O ZINC000021725638 522924749 /nfs/dbraw/zinc/92/47/49/522924749.db2.gz LORBMNZNLDYUMH-ZDUSSCGKSA-N 0 0 449.492 2.829 50 0 IFAARN COc1cc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)cc(OC)c1OC ZINC000032930019 522960732 /nfs/dbraw/zinc/96/07/32/522960732.db2.gz VXFKBLGWUSQNHJ-GOSISDBHSA-N 0 0 447.513 2.782 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CN1CCN(c3ccc(C(C)=O)cc3)CC1)CC2 ZINC000015442867 523026507 /nfs/dbraw/zinc/02/65/07/523026507.db2.gz OOUIDUYFNNBQSN-UHFFFAOYSA-N 0 0 437.540 2.613 50 0 IFAARN COc1cc2nc(CSCC(=O)N3CCc4ccccc4C3)[nH]c(=O)c2cc1OC ZINC000012322819 523066427 /nfs/dbraw/zinc/06/64/27/523066427.db2.gz OTOWVWRXQNAXSZ-UHFFFAOYSA-N 0 0 425.510 2.758 50 0 IFAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000012598805 523084946 /nfs/dbraw/zinc/08/49/46/523084946.db2.gz KFLNBTHSVHYCPK-GOSISDBHSA-N 0 0 442.493 2.670 50 0 IFAARN CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c2cccnc21 ZINC000021153075 523100401 /nfs/dbraw/zinc/10/04/01/523100401.db2.gz YNLZEHCHQXFOSG-UHFFFAOYSA-N 0 0 432.455 2.696 50 0 IFAARN CCn1c(=O)c(N2CCC(C(=O)NCc3ccccc3Cl)CC2)nc2cccnc21 ZINC000020860654 523101556 /nfs/dbraw/zinc/10/15/56/523101556.db2.gz MEPSMSMYZTZBDL-UHFFFAOYSA-N 0 0 425.920 2.998 50 0 IFAARN CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCc3ccccc3OC)cc2)c2cccnc21 ZINC000021153067 523101675 /nfs/dbraw/zinc/10/16/75/523101675.db2.gz BMDUQOPXQVEHDP-UHFFFAOYSA-N 0 0 444.491 2.565 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C)ccc4OC)nc(C)n3n2)cc1 ZINC000021807943 523118334 /nfs/dbraw/zinc/11/83/34/523118334.db2.gz LNJREAYEOQIJCW-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN COc1ccc(-c2cc3c(c(OC)c2)OCCN(C(=O)Cc2ccc4c(c2)OCO4)C3)nn1 ZINC000012133347 523119271 /nfs/dbraw/zinc/11/92/71/523119271.db2.gz NBGGFXJXVKYWBB-UHFFFAOYSA-N 0 0 449.463 2.853 50 0 IFAARN COc1ccc(-c2cc3ccc(OCC(=O)N4CCC[C@H]4CO)cc3oc2=O)cc1OC ZINC000012902599 523121268 /nfs/dbraw/zinc/12/12/68/523121268.db2.gz HJVOWWZVOPWWDB-KRWDZBQOSA-N 0 0 439.464 2.839 50 0 IFAARN COc1ccc(-c2cc3ncnc(N4CCN([C@@H]5CCS(=O)(=O)C5)CC4)c3s2)cc1 ZINC000012685403 523124983 /nfs/dbraw/zinc/12/49/83/523124983.db2.gz RDMUGHYLNVNCFW-MRXNPFEDSA-N 0 0 444.582 2.676 50 0 IFAARN COc1ccc(-c2coc3c(ccc4c3CN([C@H]3CCS(=O)(=O)C3)CO4)c2=O)cc1 ZINC000012442553 523156893 /nfs/dbraw/zinc/15/68/93/523156893.db2.gz UTXFTKCIURXJII-HNNXBMFYSA-N 0 0 427.478 2.808 50 0 IFAARN CN(Cc1cc(-c2ccccc2)no1)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 ZINC000015068819 523159832 /nfs/dbraw/zinc/15/98/32/523159832.db2.gz QGNKQZIVOVETQK-GOSISDBHSA-N 0 0 430.530 2.753 50 0 IFAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)NC3CCCCCCC3)cc21 ZINC000020560483 523169250 /nfs/dbraw/zinc/16/92/50/523169250.db2.gz ZJMCUHCFAJDUNT-UHFFFAOYSA-N 0 0 426.560 2.690 50 0 IFAARN CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 ZINC000012851454 523170506 /nfs/dbraw/zinc/17/05/06/523170506.db2.gz ZBMITNOQJQNYDL-JTQLQIEISA-N 0 0 449.537 2.898 50 0 IFAARN COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000012545263 523177639 /nfs/dbraw/zinc/17/76/39/523177639.db2.gz KLDRACAJPQYKPE-UHFFFAOYSA-N 0 0 439.541 2.974 50 0 IFAARN CCn1c(CN2CCC(C(=O)OC)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012547567 523189530 /nfs/dbraw/zinc/18/95/30/523189530.db2.gz UCCSBGZSZMXZRN-UHFFFAOYSA-N 0 0 448.589 2.616 50 0 IFAARN COC(=O)CNC(=O)Nc1cc(C(=O)NCc2cccc(F)c2)ccc1N1CCCC1 ZINC000021050222 523194809 /nfs/dbraw/zinc/19/48/09/523194809.db2.gz CCYRORWBXAUCCH-UHFFFAOYSA-N 0 0 428.464 2.650 50 0 IFAARN CCn1c(COc2ccc(-c3nnco3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012629331 523196457 /nfs/dbraw/zinc/19/64/57/523196457.db2.gz DBKHOPXHJPXBQA-UHFFFAOYSA-N 0 0 427.486 2.936 50 0 IFAARN CN(Cc1ccc(Br)cc1)S(=O)(=O)CCn1nnc(-c2ccccc2)n1 ZINC000024702753 523199843 /nfs/dbraw/zinc/19/98/43/523199843.db2.gz SQFCAYVPVWLPKG-UHFFFAOYSA-N 0 0 436.335 2.564 50 0 IFAARN COc1ccc(-c2nc(CN3CCN(C(=O)[C@@H](NC(C)=O)C(C)C)CC3)cs2)cc1 ZINC000012788066 523204479 /nfs/dbraw/zinc/20/44/79/523204479.db2.gz WUULLRUDXNNFHZ-FQEVSTJZSA-N 0 0 430.574 2.624 50 0 IFAARN COc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccccc3OC)n2)cc1 ZINC000021537298 523225975 /nfs/dbraw/zinc/22/59/75/523225975.db2.gz HGNMNJONTOIWAQ-UHFFFAOYSA-N 0 0 437.481 2.833 50 0 IFAARN COC(=O)CSc1nc2c(cc(OC)c(OC)c2OC)c(=O)n1Cc1ccccc1 ZINC000035924764 523247837 /nfs/dbraw/zinc/24/78/37/523247837.db2.gz PHQMVUHMJBSVBN-UHFFFAOYSA-N 0 0 430.482 2.736 50 0 IFAARN COc1ccc(C2N=NC(=S)N2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000012857667 523258088 /nfs/dbraw/zinc/25/80/88/523258088.db2.gz WEKKRMQAQHKFED-UHFFFAOYSA-N 0 0 439.541 2.923 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2N)c(OC)c1 ZINC000021576034 523260850 /nfs/dbraw/zinc/26/08/50/523260850.db2.gz DJAKXFVKPKOGOR-UHFFFAOYSA-N 0 0 443.573 2.853 50 0 IFAARN COCCCN([C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C)S(=O)(=O)c1ccccc1 ZINC000036004483 523269009 /nfs/dbraw/zinc/26/90/09/523269009.db2.gz GRDZTACJJCPZRZ-INIZCTEOSA-N 0 0 436.530 2.717 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N(C)Cc1ccc(C)cc1 ZINC000022310788 523269825 /nfs/dbraw/zinc/26/98/25/523269825.db2.gz NNCLWOAWCAHMLO-UHFFFAOYSA-N 0 0 432.571 2.763 50 0 IFAARN COC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000012777089 523273763 /nfs/dbraw/zinc/27/37/63/523273763.db2.gz MIFUVYKBWHLCEO-YLJYHZDGSA-N 0 0 448.516 2.647 50 0 IFAARN COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccc(OC)c(OC)c1 ZINC000022390294 523275106 /nfs/dbraw/zinc/27/51/06/523275106.db2.gz KXTLGDOIALVTTI-JKSUJKDBSA-N 0 0 430.432 2.689 50 0 IFAARN COc1ccc(-c2noc(CCCCCNC(=O)CN(C)C(=O)c3ccco3)n2)cc1 ZINC000022872367 523283543 /nfs/dbraw/zinc/28/35/43/523283543.db2.gz XKZVXVHKRZUXIG-UHFFFAOYSA-N 0 0 426.473 2.939 50 0 IFAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000020581399 523305887 /nfs/dbraw/zinc/30/58/87/523305887.db2.gz MNCNMNITSYERJG-UHFFFAOYSA-N 0 0 445.497 2.707 50 0 IFAARN CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012931801 523322927 /nfs/dbraw/zinc/32/29/27/523322927.db2.gz QLMBLTKTSKNRJM-UHFFFAOYSA-N 0 0 430.526 2.517 50 0 IFAARN CCn1cc(C(=O)N2CCC(n3nccc3NC(=O)[C@@H](OC)c3ccccc3)CC2)cn1 ZINC000012198065 523328958 /nfs/dbraw/zinc/32/89/58/523328958.db2.gz ILVDQHXJYQFBAF-NRFANRHFSA-N 0 0 436.516 2.903 50 0 IFAARN COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc(Cl)cc1 ZINC000036056911 523331028 /nfs/dbraw/zinc/33/10/28/523331028.db2.gz ZICVKOCZJFFBBI-ZQWRNJAYSA-N 0 0 435.908 2.561 50 0 IFAARN COc1ccc(-n2nc(SCC(=O)Nc3ccc(OC)cc3OC)ccc2=O)cc1 ZINC000033128369 523347773 /nfs/dbraw/zinc/34/77/73/523347773.db2.gz ZFVPQQYDPQXSFT-UHFFFAOYSA-N 0 0 427.482 2.989 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@H]1c1ccc(OC)cc1OC ZINC000036060082 523360882 /nfs/dbraw/zinc/36/08/82/523360882.db2.gz WSTDOACQTZNICO-ROUUACIJSA-N 0 0 432.542 2.774 50 0 IFAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009218404 523376749 /nfs/dbraw/zinc/37/67/49/523376749.db2.gz WTWQDSKYIVVEEN-UHFFFAOYSA-N 0 0 443.569 2.580 50 0 IFAARN COc1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC ZINC000012493463 523390769 /nfs/dbraw/zinc/39/07/69/523390769.db2.gz SGTNQBGEMQIECD-MKICQXMISA-N 0 0 440.496 2.680 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCC4)C3)c(C)cc2NC1=O ZINC000035379258 523419997 /nfs/dbraw/zinc/41/99/97/523419997.db2.gz LMIYEPVMDHMWTK-MAUKXSAKSA-N 0 0 449.573 2.564 50 0 IFAARN COCCCn1c(=O)[nH]nc1SCc1cc(=O)oc2cc(Br)ccc12 ZINC000024456685 523496857 /nfs/dbraw/zinc/49/68/57/523496857.db2.gz FXLANGKEXPJFIK-UHFFFAOYSA-N 0 0 426.292 2.769 50 0 IFAARN CCn1ccnc1CN(C)C(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 ZINC000012303026 523524184 /nfs/dbraw/zinc/52/41/84/523524184.db2.gz PMXWRLCYQRDFIY-UHFFFAOYSA-N 0 0 440.544 2.964 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1 ZINC000035428641 523564892 /nfs/dbraw/zinc/56/48/92/523564892.db2.gz DKMSPKPDSCVLSO-UHFFFAOYSA-N 0 0 444.601 2.785 50 0 IFAARN CN(Cc1nc2ccccc2s1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000021937207 523567394 /nfs/dbraw/zinc/56/73/94/523567394.db2.gz FJFAOWFLYKBMMW-UHFFFAOYSA-N 0 0 425.482 2.902 50 0 IFAARN COc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)NC1CC1 ZINC000012599152 523603809 /nfs/dbraw/zinc/60/38/09/523603809.db2.gz QHHHCLWMFPWHHK-UHFFFAOYSA-N 0 0 440.525 2.594 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccccc3C)c(C)cc2NC1=O ZINC000035453089 523604550 /nfs/dbraw/zinc/60/45/50/523604550.db2.gz VJAFAZONLMAHOO-KRWDZBQOSA-N 0 0 431.514 2.672 50 0 IFAARN CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(Cc1nccs1)C2 ZINC000020513530 523614126 /nfs/dbraw/zinc/61/41/26/523614126.db2.gz XGGGHYANOFTUHX-UHFFFAOYSA-N 0 0 436.585 2.880 50 0 IFAARN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCn2ccnc2)cc1OC ZINC000033432327 523619341 /nfs/dbraw/zinc/61/93/41/523619341.db2.gz QIQCCDDCTIXATK-JXAWBTAJSA-N 0 0 440.525 2.939 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)NCCC(=O)N3CCCC3)C2)c2ccccc12 ZINC000012801230 523639987 /nfs/dbraw/zinc/63/99/87/523639987.db2.gz GJEXPDHWDFRKRE-SFHVURJKSA-N 0 0 437.540 2.829 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1 ZINC000021884410 523649410 /nfs/dbraw/zinc/64/94/10/523649410.db2.gz GKHYKEBHDWGCNE-UHFFFAOYSA-N 0 0 447.520 2.789 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1)C(=O)COC ZINC000035961632 523652857 /nfs/dbraw/zinc/65/28/57/523652857.db2.gz FXMAFBCRHWNOTM-OAQYLSRUSA-N 0 0 427.476 2.625 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(F)cc1 ZINC000035374019 523671599 /nfs/dbraw/zinc/67/15/99/523671599.db2.gz YQCBPFQIEZGFGU-UHFFFAOYSA-N 0 0 435.459 2.514 50 0 IFAARN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2c(F)cccc2F)CC3)cc1 ZINC000020774115 523703419 /nfs/dbraw/zinc/70/34/19/523703419.db2.gz IXSHMPPJTLRKIF-UHFFFAOYSA-N 0 0 441.482 2.596 50 0 IFAARN CN1C(=O)N(CC(=O)Nc2ccccc2I)C(=O)C12CCCCC2 ZINC000012787611 523714640 /nfs/dbraw/zinc/71/46/40/523714640.db2.gz ZTLGIAVLHWEXIU-UHFFFAOYSA-N 0 0 441.269 2.827 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3c4ccccc4C[C@H]3C)s2)cc1 ZINC000020486295 523764638 /nfs/dbraw/zinc/76/46/38/523764638.db2.gz JMFLXWPSDYCXQR-GFCCVEGCSA-N 0 0 430.511 2.939 50 0 IFAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CC1)C(=S)NC1CC1 ZINC000036032199 523772659 /nfs/dbraw/zinc/77/26/59/523772659.db2.gz DTKYKRDLFKRGFZ-UHFFFAOYSA-N 0 0 448.614 2.677 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1ccc(Br)cc1 ZINC000012786205 523776961 /nfs/dbraw/zinc/77/69/61/523776961.db2.gz CGGOBYPZQKVNGO-UHFFFAOYSA-N 0 0 430.302 2.903 50 0 IFAARN COCCN1C(=O)C[C@@](CC(=O)N(C)CCc2ccccc2)(c2ccccc2F)C1=O ZINC000011980563 523798290 /nfs/dbraw/zinc/79/82/90/523798290.db2.gz KNHAIZCTWUKRFN-DEOSSOPVSA-N 0 0 426.488 2.560 50 0 IFAARN CCc1cc2c(ncn(CC(=O)N3CCN(c4ccc(C(C)=O)cc4F)CC3)c2=O)s1 ZINC000012793751 523847588 /nfs/dbraw/zinc/84/75/88/523847588.db2.gz OMMGQAVOTKQFIG-UHFFFAOYSA-N 0 0 442.516 2.711 50 0 IFAARN COc1ccc(C2=C(C)C(=O)N(CC(=O)NCCc3ccc(Cl)cc3)S2(=O)=O)cc1 ZINC000035534598 523869821 /nfs/dbraw/zinc/86/98/21/523869821.db2.gz ALGPGDFCAVDXRP-UHFFFAOYSA-N 0 0 448.928 2.611 50 0 IFAARN CN1CCN(C(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)CC1 ZINC000020472336 523873363 /nfs/dbraw/zinc/87/33/63/523873363.db2.gz OMMQEUNJLVFQHR-UHFFFAOYSA-N 0 0 445.629 2.694 50 0 IFAARN CN1CCN(C(=O)c2cn(Cc3ccc(F)cc3)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000022714636 523883005 /nfs/dbraw/zinc/88/30/05/523883005.db2.gz NHUAUEUNTJVSHO-UHFFFAOYSA-N 0 0 445.498 2.714 50 0 IFAARN CC[C@H](C)N(C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000012516843 523907993 /nfs/dbraw/zinc/90/79/93/523907993.db2.gz SJMLUKAFCKMRIZ-PKOBYXMFSA-N 0 0 442.025 2.585 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1 ZINC000020761862 523909675 /nfs/dbraw/zinc/90/96/75/523909675.db2.gz YZMSVZYLPDOGCC-RBBKRZOGSA-N 0 0 434.496 2.860 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000012321642 523911373 /nfs/dbraw/zinc/91/13/73/523911373.db2.gz WRNXALJYPZFASR-UGKGYDQZSA-N 0 0 433.508 2.921 50 0 IFAARN COCCNC(=O)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1c1ccc(OC)cc1OC ZINC000036059783 523913154 /nfs/dbraw/zinc/91/31/54/523913154.db2.gz QPTJONVTLUCATJ-VQTJNVASSA-N 0 0 446.931 2.976 50 0 IFAARN COCCNC(=O)[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000021661935 523919392 /nfs/dbraw/zinc/91/93/92/523919392.db2.gz FFLCHYZRTQZCHW-LJQANCHMSA-N 0 0 429.904 2.960 50 0 IFAARN COCCNC(=O)[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036059763 523920685 /nfs/dbraw/zinc/92/06/85/523920685.db2.gz GTXVYNHPMISGAS-RTWAWAEBSA-N 0 0 426.513 2.631 50 0 IFAARN COC(=O)[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O)C(C)C ZINC000020733509 523922656 /nfs/dbraw/zinc/92/26/56/523922656.db2.gz NHZLCYVMDNFCPW-OAQYLSRUSA-N 0 0 447.491 2.934 50 0 IFAARN COCCNC(=O)c1ccccc1N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012866017 523929136 /nfs/dbraw/zinc/92/91/36/523929136.db2.gz HJTJOWBYWOPWEW-DEOSSOPVSA-N 0 0 432.480 2.784 50 0 IFAARN CCc1ccc(CN2C[C@@H](NC(=O)[C@H]3Cc4ccccc4CN3C)C[C@H]2C(=O)OC)cc1 ZINC000012131782 523931207 /nfs/dbraw/zinc/93/12/07/523931207.db2.gz PWNRZNSAHRYMBO-VXNXHJTFSA-N 0 0 435.568 2.538 50 0 IFAARN CC[C@H](C)N(CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1ccco1 ZINC000020985003 523935507 /nfs/dbraw/zinc/93/55/07/523935507.db2.gz LEYLKVTUYQWTQA-AWEZNQCLSA-N 0 0 436.559 2.670 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)c(OC)c1 ZINC000015728008 523956057 /nfs/dbraw/zinc/95/60/57/523956057.db2.gz RFXRROOWCZMGIS-UHFFFAOYSA-N 0 0 441.557 2.921 50 0 IFAARN COCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000022703894 523960013 /nfs/dbraw/zinc/96/00/13/523960013.db2.gz ARXJZSYVIYFCIB-HXUWFJFHSA-N 0 0 448.541 2.606 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc(C)nc4onc(C)c43)C2)cc1OC ZINC000021881302 523966729 /nfs/dbraw/zinc/96/67/29/523966729.db2.gz PGTIHILQZDRGNZ-QGZVFWFLSA-N 0 0 439.516 2.827 50 0 IFAARN CO[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)C1 ZINC000012159853 523969664 /nfs/dbraw/zinc/96/96/64/523969664.db2.gz CMHPTWFDODBOSN-CPJSRVTESA-N 0 0 435.524 2.614 50 0 IFAARN COc1ccc(CCNC(=S)N2CCN(CCOc3ccc(OC)cc3)CC2)cc1 ZINC000022239894 523973418 /nfs/dbraw/zinc/97/34/18/523973418.db2.gz CWOCSEDZVIKCPQ-UHFFFAOYSA-N 0 0 429.586 2.817 50 0 IFAARN CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)cc1 ZINC000033021079 523990446 /nfs/dbraw/zinc/99/04/46/523990446.db2.gz INOSTWOHCSCWCF-INIZCTEOSA-N 0 0 443.525 2.619 50 0 IFAARN COc1ccc(CN(C)C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)cc1F ZINC000024751207 523994727 /nfs/dbraw/zinc/99/47/27/523994727.db2.gz NNSVRQCKFTYSJC-UHFFFAOYSA-N 0 0 434.411 2.790 50 0 IFAARN COc1ccc(CN2CC3(Cc4c5ccccc5ccc42)C(=O)NC(=O)NC3=O)cc1OC ZINC000015024473 524022635 /nfs/dbraw/zinc/02/26/35/524022635.db2.gz GCKKQGMFTNDOJB-UHFFFAOYSA-N 0 0 445.475 2.772 50 0 IFAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 ZINC000035999871 524024296 /nfs/dbraw/zinc/02/42/96/524024296.db2.gz SIHQZCAQIUZGNY-UHFFFAOYSA-N 0 0 444.875 2.597 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCCC1)C(=O)[C@H]1CCCCN21 ZINC000021649001 524025794 /nfs/dbraw/zinc/02/57/94/524025794.db2.gz HAPMTPQCDMYIQR-HXUWFJFHSA-N 0 0 426.561 2.933 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCc3sccc3C2)c(C)c1C ZINC000012299130 524033582 /nfs/dbraw/zinc/03/35/82/524033582.db2.gz FPVQWOLCNSRRMX-IBGZPJMESA-N 0 0 427.570 2.649 50 0 IFAARN CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(F)cc2F)CC1 ZINC000033059027 524049431 /nfs/dbraw/zinc/04/94/31/524049431.db2.gz YNXLDILQJAYVCX-GQCTYLIASA-N 0 0 425.457 2.578 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1OC ZINC000012912615 524064305 /nfs/dbraw/zinc/06/43/05/524064305.db2.gz QANZSXGZWGKIHT-INIZCTEOSA-N 0 0 438.571 2.791 50 0 IFAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(C)cc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000035477338 524065134 /nfs/dbraw/zinc/06/51/34/524065134.db2.gz MTBCXQNSTDIHHV-DEOSSOPVSA-N 0 0 434.496 2.944 50 0 IFAARN COc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)cc1OC ZINC000021933449 524065897 /nfs/dbraw/zinc/06/58/97/524065897.db2.gz AIBIXRXSIPSECX-UHFFFAOYSA-N 0 0 434.496 2.876 50 0 IFAARN Cc1cc(C(=O)NCc2nnc3n2CCN(Cc2c(F)ccc(F)c2F)CC3)c(C)o1 ZINC000020784672 524112609 /nfs/dbraw/zinc/11/26/09/524112609.db2.gz JDTCZFZFEDVYQY-UHFFFAOYSA-N 0 0 433.434 2.894 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC(=O)NC1CCCCC1 ZINC000035560478 524117790 /nfs/dbraw/zinc/11/77/90/524117790.db2.gz RGASDNYAJGVBTC-QGZVFWFLSA-N 0 0 447.601 2.978 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012929961 524135153 /nfs/dbraw/zinc/13/51/53/524135153.db2.gz RQWXBGHHDXEWOU-KDOFPFPSSA-N 0 0 448.416 2.995 50 0 IFAARN COc1cccc([C@@]2(CC(=O)N3CCC[C@H](C(C)=O)C3)CC(=O)N(C3CCCC3)C2=O)c1 ZINC000012036712 524138890 /nfs/dbraw/zinc/13/88/90/524138890.db2.gz QLSIPIGBGHBEMF-AVRWGWEMSA-N 0 0 440.540 2.852 50 0 IFAARN COc1ccc(C[C@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c(F)c1 ZINC000014886540 524159263 /nfs/dbraw/zinc/15/92/63/524159263.db2.gz OUYGBIIGIROXTI-KOSHJBKYSA-N 0 0 442.487 2.762 50 0 IFAARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C(N)=O)cnn32)c1OC ZINC000044891943 524169119 /nfs/dbraw/zinc/16/91/19/524169119.db2.gz SNMWIUAFYSQWBT-IBGZPJMESA-N 0 0 433.468 2.927 50 0 IFAARN Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1C ZINC000012780453 524179323 /nfs/dbraw/zinc/17/93/23/524179323.db2.gz VAWDYLJBXXYSMK-UHFFFAOYSA-N 0 0 430.526 2.611 50 0 IFAARN COc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)c3cc(C)n(C)n3)nc21 ZINC000022768213 524189467 /nfs/dbraw/zinc/18/94/67/524189467.db2.gz VLFSYCKAIIRBRT-UHFFFAOYSA-N 0 0 449.964 2.979 50 0 IFAARN Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C(C)C)c1 ZINC000012109603 524201224 /nfs/dbraw/zinc/20/12/24/524201224.db2.gz WMKIQJNNEMXLOK-HXUWFJFHSA-N 0 0 429.542 2.829 50 0 IFAARN Cc1ccc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c1 ZINC000012633811 524211201 /nfs/dbraw/zinc/21/12/01/524211201.db2.gz ZNNXEAFHERWXQF-SFHVURJKSA-N 0 0 445.585 2.881 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N1CCC(C(N)=O)CC1 ZINC000012768257 524248349 /nfs/dbraw/zinc/24/83/49/524248349.db2.gz DWGBKCZKRBKQTC-VIFPVBQESA-N 0 0 433.144 2.736 50 0 IFAARN C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000012620784 524248421 /nfs/dbraw/zinc/24/84/21/524248421.db2.gz FMNMAOKCWHINLH-XHSDSOJGSA-N 0 0 443.997 2.951 50 0 IFAARN COc1cccc2sc(NC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)nc21 ZINC000022024802 524263686 /nfs/dbraw/zinc/26/36/86/524263686.db2.gz KUBLQOFRWFJESY-UHFFFAOYSA-N 0 0 427.454 2.890 50 0 IFAARN COc1ccc(F)c(C[C@]2(CCC(=O)N(CCO)Cc3ccccc3)CCC(=O)N2)c1 ZINC000011839641 524285968 /nfs/dbraw/zinc/28/59/68/524285968.db2.gz BMRWHKRVTUBVMK-XMMPIXPASA-N 0 0 428.504 2.827 50 0 IFAARN Cc1cc(C)c(NC(=O)CNC(=O)CSCc2cc(=O)n3ccsc3n2)c(C)c1 ZINC000024067504 524286856 /nfs/dbraw/zinc/28/68/56/524286856.db2.gz UNZKWWCYQLOODR-UHFFFAOYSA-N 0 0 430.555 2.669 50 0 IFAARN COc1ccccc1-n1c(N)c(C(=O)NN2C(=O)c3ccccc3C2=O)sc1=S ZINC000020848493 524299514 /nfs/dbraw/zinc/29/95/14/524299514.db2.gz HIARLSNSSWMNIA-UHFFFAOYSA-N 0 0 426.479 2.800 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000020787597 524305084 /nfs/dbraw/zinc/30/50/84/524305084.db2.gz VRULPJNKWFMJKE-XJKCOSOUSA-N 0 0 425.323 2.663 50 0 IFAARN Cc1ccc(CCNC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@H]3C2=O)cc1 ZINC000021942070 524326786 /nfs/dbraw/zinc/32/67/86/524326786.db2.gz JWFPMYFVBUPAMQ-QFIPXVFZSA-N 0 0 448.567 2.761 50 0 IFAARN COc1ccccc1C(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000012779871 524343748 /nfs/dbraw/zinc/34/37/48/524343748.db2.gz ARBMTMSVIGWOED-UHFFFAOYSA-N 0 0 438.553 2.830 50 0 IFAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCN(CC(=O)NC3CC3)CC1)c2-n1cccc1 ZINC000035310626 524347665 /nfs/dbraw/zinc/34/76/65/524347665.db2.gz HLXVDUDPNCTPSP-UHFFFAOYSA-N 0 0 437.569 2.740 50 0 IFAARN COc1ccc(N(Cc2nc3ccccc3[nH]2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000021167154 524370043 /nfs/dbraw/zinc/37/00/43/524370043.db2.gz VTUZHWKMULDNOM-QZTJIDSGSA-N 0 0 428.539 2.847 50 0 IFAARN C[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1 ZINC000021881075 524382517 /nfs/dbraw/zinc/38/25/17/524382517.db2.gz ADOHMJRJSUVVQB-MRXNPFEDSA-N 0 0 429.542 2.502 50 0 IFAARN COc1ccc(N2C(=O)c3ccccc3/C(=C\NNS(=O)(=O)c3ccccc3)C2=O)cc1 ZINC000034235310 524398791 /nfs/dbraw/zinc/39/87/91/524398791.db2.gz LMVFYJWWAOFUKQ-RCCKNPSSSA-N 0 0 449.488 2.706 50 0 IFAARN Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 ZINC000020487064 524419786 /nfs/dbraw/zinc/41/97/86/524419786.db2.gz WURQFDZNRDXOJY-UHFFFAOYSA-N 0 0 429.542 2.817 50 0 IFAARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)[C@@H]4C2=O)cc1 ZINC000012891480 524444726 /nfs/dbraw/zinc/44/47/26/524444726.db2.gz NKGOUZCCDHHQKG-UMCMBGNQSA-N 0 0 436.464 2.638 50 0 IFAARN Cc1ccc(CN2CCN(C3CCN(C(=O)c4ccc(C)c(F)c4)CC3)C(=O)C2=O)cc1 ZINC000035376596 524458908 /nfs/dbraw/zinc/45/89/08/524458908.db2.gz MVPYIWAVXVSAOZ-UHFFFAOYSA-N 0 0 437.515 2.918 50 0 IFAARN COc1ccccc1CNC(=O)CSc1nnc2ccc(-c3ccc4c(c3)OCO4)nn21 ZINC000015881717 524466090 /nfs/dbraw/zinc/46/60/90/524466090.db2.gz FSKYRXVBMIJZRY-UHFFFAOYSA-N 0 0 449.492 2.937 50 0 IFAARN COc1ccccc1CNC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000009659257 524467989 /nfs/dbraw/zinc/46/79/89/524467989.db2.gz WHKLPZGVXPXYGN-UHFFFAOYSA-N 0 0 425.466 2.992 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)nc(C)n2)n1 ZINC000035597303 524477345 /nfs/dbraw/zinc/47/73/45/524477345.db2.gz YELAXKGVIVSOJR-UHFFFAOYSA-N 0 0 444.536 2.546 50 0 IFAARN COc1ccccc1CNC(=O)c1ccc(C)c(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000009860640 524481109 /nfs/dbraw/zinc/48/11/09/524481109.db2.gz KLEIIDSNQBNRJF-PKOBYXMFSA-N 0 0 445.566 2.614 50 0 IFAARN COc1ccc(NC(=O)CN(C)C(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1 ZINC000012738054 524488593 /nfs/dbraw/zinc/48/85/93/524488593.db2.gz LZTBNXZXDUIFHL-UHFFFAOYSA-N 0 0 440.887 2.914 50 0 IFAARN Cc1ccc(CNC(=O)C2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1 ZINC000033258772 524495588 /nfs/dbraw/zinc/49/55/88/524495588.db2.gz BNNXVMVDISCSMR-UHFFFAOYSA-N 0 0 446.551 2.686 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)n1 ZINC000012231359 524497908 /nfs/dbraw/zinc/49/79/08/524497908.db2.gz AOUDYGPKFCYFHT-UHFFFAOYSA-N 0 0 433.299 2.591 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n3C)n2C)n1 ZINC000012231391 524500557 /nfs/dbraw/zinc/50/05/57/524500557.db2.gz BATKNWQMZLEVDU-UHFFFAOYSA-N 0 0 433.299 2.591 50 0 IFAARN COc1ccc(NC(=O)COc2ccccc2C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000012888624 524504041 /nfs/dbraw/zinc/50/40/41/524504041.db2.gz MSCRFBVBTLQSDD-UHFFFAOYSA-N 0 0 448.541 2.857 50 0 IFAARN COc1ccc(NC(=O)CSc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000012685738 524505516 /nfs/dbraw/zinc/50/55/16/524505516.db2.gz IQQLIVZTQIURFW-UHFFFAOYSA-N 0 0 440.518 2.586 50 0 IFAARN COc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)nc3cc(=O)[nH]n32)cc1 ZINC000021537302 524507511 /nfs/dbraw/zinc/50/75/11/524507511.db2.gz YMXOFILCJWZEAW-UHFFFAOYSA-N 0 0 437.481 2.833 50 0 IFAARN COc1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1S(=O)(=O)N(C)C ZINC000012745306 524526096 /nfs/dbraw/zinc/52/60/96/524526096.db2.gz QLARAIHUFULEHN-UHFFFAOYSA-N 0 0 432.527 2.645 50 0 IFAARN Cc1ccc(CNC(=O)NCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000012755877 524526367 /nfs/dbraw/zinc/52/63/67/524526367.db2.gz UIEQRMHSFOTXOE-UHFFFAOYSA-N 0 0 436.434 2.910 50 0 IFAARN COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)cc1Cl ZINC000020574995 524534712 /nfs/dbraw/zinc/53/47/12/524534712.db2.gz YDYICDFJLCUGRY-UHFFFAOYSA-N 0 0 449.298 2.744 50 0 IFAARN COc1ccc(NC(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)c(OC)c1 ZINC000035432337 524542679 /nfs/dbraw/zinc/54/26/79/524542679.db2.gz SUCZOJGYWRFJBP-UHFFFAOYSA-N 0 0 426.448 2.786 50 0 IFAARN Cc1cc(C)n2nc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCCC4)c3)nc2n1 ZINC000016044218 524568160 /nfs/dbraw/zinc/56/81/60/524568160.db2.gz NAQSSCRMALIPQR-UHFFFAOYSA-N 0 0 442.545 2.867 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(C(=O)Cc3ccc(N4CCCC4=O)cc3)CC2)c1C ZINC000035392603 524593688 /nfs/dbraw/zinc/59/36/88/524593688.db2.gz IDVDRUQDCVSLPN-UHFFFAOYSA-N 0 0 448.567 2.756 50 0 IFAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000012882413 524620018 /nfs/dbraw/zinc/62/00/18/524620018.db2.gz UEHDPZJXRLFTPG-MRXNPFEDSA-N 0 0 434.514 2.551 50 0 IFAARN Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1C ZINC000035220045 524650662 /nfs/dbraw/zinc/65/06/62/524650662.db2.gz ANGFUSWJVIJSIV-KXBFYZLASA-N 0 0 443.525 2.815 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000012772257 524670962 /nfs/dbraw/zinc/67/09/62/524670962.db2.gz YNNKTJJSIURSAZ-UHFFFAOYSA-N 0 0 444.447 2.898 50 0 IFAARN CC(=O)N1CCOc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c(Cl)cc21 ZINC000009439897 534801022 /nfs/dbraw/zinc/80/10/22/534801022.db2.gz JJEXSJGQLWWCMI-UHFFFAOYSA-N 0 0 435.933 2.596 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCn3ccnc3)c2)cc1 ZINC000012535656 524693133 /nfs/dbraw/zinc/69/31/33/524693133.db2.gz QHGQACVSYZHPCS-UHFFFAOYSA-N 0 0 428.514 2.821 50 0 IFAARN COc1ccccc1Oc1coc2c(ccc3c2CN([C@H]2CCS(=O)(=O)C2)CO3)c1=O ZINC000012442556 524697970 /nfs/dbraw/zinc/69/79/70/524697970.db2.gz XMIPKWLNRNIYFI-AWEZNQCLSA-N 0 0 443.477 2.933 50 0 IFAARN COc1ccccc1[C@@H](C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012897129 524718519 /nfs/dbraw/zinc/71/85/19/524718519.db2.gz NHTXSFNQTYRIRI-LJQANCHMSA-N 0 0 445.585 2.577 50 0 IFAARN C[C@@H]1CCc2c(sc3ncn(C[C@H](O)COCc4ccc5c(c4)OCO5)c(=O)c32)C1 ZINC000012910290 524726303 /nfs/dbraw/zinc/72/63/03/524726303.db2.gz JXFGKSKJNKSNLU-HIFRSBDPSA-N 0 0 428.510 2.889 50 0 IFAARN C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000012643446 524760983 /nfs/dbraw/zinc/76/09/83/524760983.db2.gz VFJWXVLQWQOSFF-OKILXGFUSA-N 0 0 434.480 2.742 50 0 IFAARN Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NCCc3ccccc3C)c3cccnc32)cc1 ZINC000035450452 524761862 /nfs/dbraw/zinc/76/18/62/524761862.db2.gz IGARFFDUNRDFAR-UHFFFAOYSA-N 0 0 442.519 2.582 50 0 IFAARN COc1ccccc1[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1CCN1CCOCC1 ZINC000020308175 524764586 /nfs/dbraw/zinc/76/45/86/524764586.db2.gz CXJGTGXRIKEMPK-JOCHJYFZSA-N 0 0 434.492 2.987 50 0 IFAARN C[C@@H]1CN(C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2N)C[C@H](C)O1 ZINC000012634973 524791768 /nfs/dbraw/zinc/79/17/68/524791768.db2.gz OMUXUCYRLSPZDL-BETUJISGSA-N 0 0 430.555 2.567 50 0 IFAARN COc1ccc(OC)c(NC(=O)NCCNc2cc(-n3nc(C)cc3C)nc(C)n2)c1 ZINC000035597344 524859464 /nfs/dbraw/zinc/85/94/64/524859464.db2.gz WKBGPIQJWZYUEM-UHFFFAOYSA-N 0 0 425.493 2.838 50 0 IFAARN Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(N3CCCC[C@@H]3C)nn2)CC1 ZINC000042379768 524872118 /nfs/dbraw/zinc/87/21/18/524872118.db2.gz BXECVJKTGQPGAX-KRWDZBQOSA-N 0 0 433.553 2.814 50 0 IFAARN Cc1ccc(N(CC(=O)NCC(F)(F)F)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000016694947 524891746 /nfs/dbraw/zinc/89/17/46/524891746.db2.gz PHFNYGQNLKRDTG-UHFFFAOYSA-N 0 0 444.431 2.640 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCN(S(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)C2)c1 ZINC000021535982 524894768 /nfs/dbraw/zinc/89/47/68/524894768.db2.gz AHJQCHHUSBMZOZ-CYBMUJFWSA-N 0 0 447.538 2.694 50 0 IFAARN Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)[C@@H]2c2cccs2)cc1 ZINC000035436241 524921767 /nfs/dbraw/zinc/92/17/67/524921767.db2.gz LBZQMGCQGBIHNC-LDQXTDLNSA-N 0 0 432.567 2.844 50 0 IFAARN COc1ccc(OCC(=O)NCc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)cc1 ZINC000041078174 524933358 /nfs/dbraw/zinc/93/33/58/524933358.db2.gz ZCSJSQYXOKTQBV-UHFFFAOYSA-N 0 0 436.493 2.830 50 0 IFAARN COc1ccc(OCCCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000012509131 524942652 /nfs/dbraw/zinc/94/26/52/524942652.db2.gz ALGRNYFQGJDANO-UHFFFAOYSA-N 0 0 441.528 2.788 50 0 IFAARN C[C@H](NC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@H]2C1=O)c1ccccc1 ZINC000021942034 524959926 /nfs/dbraw/zinc/95/99/26/524959926.db2.gz MGVDJBNQANUENF-UWJYYQICSA-N 0 0 434.540 2.971 50 0 IFAARN C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2 ZINC000020994610 524972370 /nfs/dbraw/zinc/97/23/70/524972370.db2.gz ZDTBWLNZRHIYHP-INIZCTEOSA-N 0 0 441.482 2.871 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2=O)cc1F ZINC000012919508 524984011 /nfs/dbraw/zinc/98/40/11/524984011.db2.gz VHLMGWIXUUURSM-HXUWFJFHSA-N 0 0 425.504 2.636 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4nc(C)cc(C)n4)CC3)CC2=O)cc1 ZINC000021449468 524984219 /nfs/dbraw/zinc/98/42/19/524984219.db2.gz MIWMLCDDOSUQHX-LJQANCHMSA-N 0 0 435.528 2.632 50 0 IFAARN Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)C(=O)Nc1ccccc1 ZINC000009749905 524997865 /nfs/dbraw/zinc/99/78/65/524997865.db2.gz ULVUZYLOZNOJQG-LJQANCHMSA-N 0 0 447.532 2.822 50 0 IFAARN C[C@H]1Cn2c3c(nc2N(C2CCCCC2)C1)n(C)c(=O)n(CC(=O)c1ccccc1)c3=O ZINC000012289052 524998035 /nfs/dbraw/zinc/99/80/35/524998035.db2.gz SXTMUBYTCCVSBW-MRXNPFEDSA-N 0 0 435.528 2.568 50 0 IFAARN Cc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000021911252 525013049 /nfs/dbraw/zinc/01/30/49/525013049.db2.gz JIKBRVRMLMPYEN-UHFFFAOYSA-N 0 0 435.465 2.853 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000012760977 525020028 /nfs/dbraw/zinc/02/00/28/525020028.db2.gz POOIONRPVWIUHF-UHFFFAOYSA-N 0 0 441.553 2.936 50 0 IFAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)cc1 ZINC000020529867 525037422 /nfs/dbraw/zinc/03/74/22/525037422.db2.gz WCKRSRGJWJMWPK-MRXNPFEDSA-N 0 0 441.553 2.990 50 0 IFAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)cc1 ZINC000020529869 525037655 /nfs/dbraw/zinc/03/76/55/525037655.db2.gz WCKRSRGJWJMWPK-INIZCTEOSA-N 0 0 441.553 2.990 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1OC ZINC000012896714 525037918 /nfs/dbraw/zinc/03/79/18/525037918.db2.gz ISCALTPWPVMYCF-UHFFFAOYSA-N 0 0 433.555 2.820 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000012814794 525040454 /nfs/dbraw/zinc/04/04/54/525040454.db2.gz NSCMWRWHYYPWEF-UHFFFAOYSA-N 0 0 448.516 2.916 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)CCc2ccccc2)CC3)cc1 ZINC000020614756 525041051 /nfs/dbraw/zinc/04/10/51/525041051.db2.gz UTTANNVRRLHOJN-UHFFFAOYSA-N 0 0 444.553 2.668 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000012854447 525049638 /nfs/dbraw/zinc/04/96/38/525049638.db2.gz JBBQHJJPCZKZMD-HDICACEKSA-N 0 0 428.554 2.946 50 0 IFAARN COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2N2CCCC2)cc1OC ZINC000022643176 525056088 /nfs/dbraw/zinc/05/60/88/525056088.db2.gz PVFBDMVCAMGUTJ-UHFFFAOYSA-N 0 0 433.530 2.611 50 0 IFAARN Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c(Cl)c1 ZINC000015047690 525057442 /nfs/dbraw/zinc/05/74/42/525057442.db2.gz QHSDFOGUEQCGAK-FQEVSTJZSA-N 0 0 429.904 2.713 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1F ZINC000022000817 525065320 /nfs/dbraw/zinc/06/53/20/525065320.db2.gz WSRBSKXUMKSWGG-MCMMXHMISA-N 0 0 433.480 2.753 50 0 IFAARN C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)O1 ZINC000035590506 525075967 /nfs/dbraw/zinc/07/59/67/525075967.db2.gz GFSZOSHYKVOEGF-IYBDPMFKSA-N 0 0 447.499 2.525 50 0 IFAARN Cc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)n2C[C@H]2CCCO2)c(Cl)c1 ZINC000012447169 525078541 /nfs/dbraw/zinc/07/85/41/525078541.db2.gz NVUKXGTYJOCEHB-GFCCVEGCSA-N 0 0 433.921 2.991 50 0 biogenic,in-vitro IFAARN Cc1ccc(NC(=O)CSc2nnc(CCC(N)=O)n2C2CC2)c(Br)c1 ZINC000022749534 525083309 /nfs/dbraw/zinc/08/33/09/525083309.db2.gz JSGNGPJXKJJBLW-UHFFFAOYSA-N 0 0 438.351 2.833 50 0 IFAARN COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 ZINC000021011275 525090480 /nfs/dbraw/zinc/09/04/80/525090480.db2.gz XNIIOHPXOVBPPR-UHFFFAOYSA-N 0 0 444.542 2.604 50 0 IFAARN COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccccc3)c2=O)cc1 ZINC000012415765 525092645 /nfs/dbraw/zinc/09/26/45/525092645.db2.gz BFQXVCNQMZPPLH-UHFFFAOYSA-N 0 0 440.521 2.623 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(-n2cncn2)cc1 ZINC000012599139 525138628 /nfs/dbraw/zinc/13/86/28/525138628.db2.gz LGIBRBFWJYZQRQ-DOTOQJQBSA-N 0 0 445.570 2.607 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(F)cc1 ZINC000009667915 525155074 /nfs/dbraw/zinc/15/50/74/525155074.db2.gz OHIXADPKJGMCSZ-UHFFFAOYSA-N 0 0 433.505 2.857 50 0 IFAARN CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccn3)cc2Cl)CC1 ZINC000012448851 525164381 /nfs/dbraw/zinc/16/43/81/525164381.db2.gz LNBLEAMWQXAEIK-UHFFFAOYSA-N 0 0 437.949 2.510 50 0 IFAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)N(C[C@H]1CCCO1)c1nc2c(cccc2F)s1 ZINC000247487110 525164746 /nfs/dbraw/zinc/16/47/46/525164746.db2.gz AHWLSUFRFUYNMD-HIFRSBDPSA-N 0 0 441.550 2.762 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3ccc(-n4cccn4)cc3)ccc21 ZINC000021471890 525171997 /nfs/dbraw/zinc/17/19/97/525171997.db2.gz LHYLLFCJGBXPST-UHFFFAOYSA-N 0 0 439.493 2.624 50 0 IFAARN COc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)nc2)N2CCOCC2)cc1OC ZINC000021199951 525184379 /nfs/dbraw/zinc/18/43/79/525184379.db2.gz HBYRENQBFOIKFA-MRXNPFEDSA-N 0 0 439.434 2.921 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)c1 ZINC000035334675 525203360 /nfs/dbraw/zinc/20/33/60/525203360.db2.gz COFJMCLKBIHWSY-KXBFYZLASA-N 0 0 443.525 2.815 50 0 IFAARN Cc1ccccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020928081 525222441 /nfs/dbraw/zinc/22/24/41/525222441.db2.gz WVIZIOPBSNYTBE-JOCHJYFZSA-N 0 0 435.590 2.591 50 0 IFAARN Cc1ccccc1NC(=O)CSc1ncc(CO)n1CC(=O)NCc1ccc(F)cc1 ZINC000017135962 525242432 /nfs/dbraw/zinc/24/24/32/525242432.db2.gz BBGSGYKWSNSLKI-UHFFFAOYSA-N 0 0 442.516 2.870 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 ZINC000022008282 525245869 /nfs/dbraw/zinc/24/58/69/525245869.db2.gz NISHKOUWVWZSCR-IBGZPJMESA-N 0 0 427.526 2.953 50 0 IFAARN Cc1ccccc1NC(=O)Cn1nc2c(N3CCSCC3)nc3ccccc3n2c1=O ZINC000035425748 525247742 /nfs/dbraw/zinc/24/77/42/525247742.db2.gz ITWOVBVHXKOOKI-UHFFFAOYSA-N 0 0 434.525 2.545 50 0 IFAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 ZINC000012932525 525249221 /nfs/dbraw/zinc/24/92/21/525249221.db2.gz BUCMCZGUJIDGTR-UHFFFAOYSA-N 0 0 447.900 2.632 50 0 IFAARN Cc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012853004 525261141 /nfs/dbraw/zinc/26/11/41/525261141.db2.gz PZPAZTLLCBEPGB-SFHVURJKSA-N 0 0 427.570 2.817 50 0 IFAARN Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)C1 ZINC000035219988 525262450 /nfs/dbraw/zinc/26/24/50/525262450.db2.gz UQILGDBNCMATNM-HOTGVXAUSA-N 0 0 443.525 2.754 50 0 IFAARN Cc1ccccc1Nc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1 ZINC000023847130 525276335 /nfs/dbraw/zinc/27/63/35/525276335.db2.gz MOTYYFFPDZNBQW-UHFFFAOYSA-N 0 0 446.558 2.968 50 0 IFAARN C[C@]1(CSc2ccccc2C(=O)Nc2cccc(N3CCCC3=O)c2)NC(=O)NC1=O ZINC000012907747 525277999 /nfs/dbraw/zinc/27/79/99/525277999.db2.gz KABKJIBQDGIDMF-JOCHJYFZSA-N 0 0 438.509 2.756 50 0 IFAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(OC)c(OC(F)F)c3)C2=O)cc1 ZINC000012904803 525283831 /nfs/dbraw/zinc/28/38/31/525283831.db2.gz ZXLQDLYJWWMFES-OAQYLSRUSA-N 0 0 449.410 2.711 50 0 IFAARN COc1ccc([C@@]2(CC(=O)NCCCOC(C)C)CC(=O)N(C3CCCC3)C2=O)cc1 ZINC000012098760 525285967 /nfs/dbraw/zinc/28/59/67/525285967.db2.gz NIABCSFVEBRAFL-XMMPIXPASA-N 0 0 430.545 2.956 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3CCOCC3)c2)cc1 ZINC000012520960 525303693 /nfs/dbraw/zinc/30/36/93/525303693.db2.gz GSBHSBGVFZDIEY-UHFFFAOYSA-N 0 0 431.558 2.636 50 0 IFAARN C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)COc2cccc(Br)c2)C1=O ZINC000012874996 525319074 /nfs/dbraw/zinc/31/90/74/525319074.db2.gz HBDNFYDUHOMSDI-HNAYVOBHSA-N 0 0 437.265 2.795 50 0 IFAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000012679153 525332728 /nfs/dbraw/zinc/33/27/28/525332728.db2.gz ZIQBVWPFPWFONG-KBMIEXCESA-N 0 0 449.507 2.979 50 0 IFAARN Cc1ccccc1[C@@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000012556647 525351853 /nfs/dbraw/zinc/35/18/53/525351853.db2.gz BMEUEUXXBPILGB-MRXNPFEDSA-N 0 0 428.558 2.942 50 0 IFAARN COc1ccc([C@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)N2CCOCC2)cc1OC ZINC000022702698 525356811 /nfs/dbraw/zinc/35/68/11/525356811.db2.gz WGGQESNXJPXYQU-SFHVURJKSA-N 0 0 441.528 2.663 50 0 IFAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(OC)c(OC(F)F)c3)C2=O)cc1 ZINC000012904807 525444600 /nfs/dbraw/zinc/44/46/00/525444600.db2.gz ZXLQDLYJWWMFES-NRFANRHFSA-N 0 0 449.410 2.711 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000022696522 525517426 /nfs/dbraw/zinc/51/74/26/525517426.db2.gz SMYBYRJMOLMYAJ-UHFFFAOYSA-N 0 0 441.597 2.740 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)cc1Cl ZINC000035432698 525525474 /nfs/dbraw/zinc/52/54/74/525525474.db2.gz AKIXDCFNRDUABO-UHFFFAOYSA-N 0 0 435.908 2.887 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000012777028 525529438 /nfs/dbraw/zinc/52/94/38/525529438.db2.gz FGUDJMCQKMYBKT-GOSISDBHSA-N 0 0 433.549 2.708 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CCc3ccccc32)n1 ZINC000035482035 525532444 /nfs/dbraw/zinc/53/24/44/525532444.db2.gz PNSSIIHPEDMSMD-QGZVFWFLSA-N 0 0 428.492 2.814 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)c(C)c1 ZINC000012551569 525541428 /nfs/dbraw/zinc/54/14/28/525541428.db2.gz PSLKIDKXZBSANP-UHFFFAOYSA-N 0 0 442.516 2.775 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)cc1C ZINC000035510885 525541520 /nfs/dbraw/zinc/54/15/20/525541520.db2.gz LREVQXXGGPGJQH-UHFFFAOYSA-N 0 0 435.977 2.580 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 ZINC000035421721 525544797 /nfs/dbraw/zinc/54/47/97/525544797.db2.gz XNGSYTQVOGQPHW-PMACEKPBSA-N 0 0 429.586 2.610 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 ZINC000035421725 525546135 /nfs/dbraw/zinc/54/61/35/525546135.db2.gz XNGSYTQVOGQPHW-VQTJNVASSA-N 0 0 429.586 2.610 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@@H]1[C@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000035911196 525550336 /nfs/dbraw/zinc/55/03/36/525550336.db2.gz OCMPGTANAGIBQD-FYYLOGMGSA-N 0 0 447.514 2.808 50 0 IFAARN Cc1c(C(=O)N(C)C[C@@H]2COCCO2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012125612 525555809 /nfs/dbraw/zinc/55/58/09/525555809.db2.gz RLYXJFHXELBBHC-LJQANCHMSA-N 0 0 433.512 2.614 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000012537629 525567136 /nfs/dbraw/zinc/56/71/36/525567136.db2.gz FELJTHBPLKQFSY-UHFFFAOYSA-N 0 0 435.977 2.974 50 0 IFAARN Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)N(Cc2ccco2)C[C@H]2CCCO2)c(C)n1C ZINC000021916713 525571295 /nfs/dbraw/zinc/57/12/95/525571295.db2.gz ZVTARTIOEDDFNE-LJQANCHMSA-N 0 0 449.573 2.841 50 0 IFAARN Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020557942 525580301 /nfs/dbraw/zinc/58/03/01/525580301.db2.gz BXIKFUZCLHVBTJ-UHFFFAOYSA-N 0 0 433.795 2.998 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012781159 525587369 /nfs/dbraw/zinc/58/73/69/525587369.db2.gz UJTHHYBOPRSIFI-ACGMVJLCSA-N 0 0 448.585 2.679 50 0 IFAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccs2)N(CCN2CCOCC2)C1=O ZINC000020567090 525608344 /nfs/dbraw/zinc/60/83/44/525608344.db2.gz BPWLHZSRVCYLMS-LJQANCHMSA-N 0 0 426.494 2.741 50 0 IFAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccccc2F)N(CCN2CCOCC2)C1=O ZINC000020308402 525608624 /nfs/dbraw/zinc/60/86/24/525608624.db2.gz FAIUXFOEEHBPEY-OAQYLSRUSA-N 0 0 438.455 2.818 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)C3CCCCC3)C1)OCC(=O)N2 ZINC000035378825 525613438 /nfs/dbraw/zinc/61/34/38/525613438.db2.gz SISAOQVKGDVBAS-MRXNPFEDSA-N 0 0 449.573 2.518 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Cl)O[C@H](C)C(=O)N2 ZINC000035452890 525613980 /nfs/dbraw/zinc/61/39/80/525613980.db2.gz CXLFRMMWVDOKMA-GFCCVEGCSA-N 0 0 437.905 2.627 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc3cccc(F)c3)C1)OCC(=O)N2 ZINC000035378777 525614274 /nfs/dbraw/zinc/61/42/74/525614274.db2.gz WBIQUPQHEPFSTC-CQSZACIVSA-N 0 0 447.488 2.504 50 0 IFAARN COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c(C)nc2c1 ZINC000012866990 525623763 /nfs/dbraw/zinc/62/37/63/525623763.db2.gz POHPVQDVIFELCH-UHFFFAOYSA-N 0 0 425.510 2.699 50 0 IFAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCCc3ccccc3)c2=O)cc1 ZINC000035396731 525629846 /nfs/dbraw/zinc/62/98/46/525629846.db2.gz NIKOOZNVCCVESS-UHFFFAOYSA-N 0 0 438.549 2.965 50 0 IFAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC000012778336 525637805 /nfs/dbraw/zinc/63/78/05/525637805.db2.gz VLEKTVOUYDJTRI-UHFFFAOYSA-N 0 0 441.435 2.653 50 0 IFAARN COc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3cc(C)nn3C)sc2c1 ZINC000022768228 525667695 /nfs/dbraw/zinc/66/76/95/525667695.db2.gz UBPJUJSQURZYMD-UHFFFAOYSA-N 0 0 429.546 2.716 50 0 IFAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c(C)c1C ZINC000035292634 525675433 /nfs/dbraw/zinc/67/54/33/525675433.db2.gz ACOAQXJDGSSSAF-NRFANRHFSA-N 0 0 429.586 2.762 50 0 IFAARN Cc1cc2nc(CSc3nnc(NC(=O)COc4ccccc4)s3)cc(=O)n2o1 ZINC000021888503 525675409 /nfs/dbraw/zinc/67/54/09/525675409.db2.gz MSCBSLATFZNHHK-UHFFFAOYSA-N 0 0 429.483 2.757 50 0 IFAARN COc1ccc2[nH]c(SCC(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)nc2c1 ZINC000022185727 525680552 /nfs/dbraw/zinc/68/05/52/525680552.db2.gz UZZCCIQFTCHLFH-SFHVURJKSA-N 0 0 426.542 2.681 50 0 IFAARN Cc1cc2sc(NC(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)nc2c(C)c1 ZINC000012553513 525700974 /nfs/dbraw/zinc/70/09/74/525700974.db2.gz ZSPVFQILMXPHNM-UHFFFAOYSA-N 0 0 446.554 2.649 50 0 IFAARN COc1cccc(-c2cc(C(=O)N[C@H](C(=O)N3CCN(C)CC3)c3ccccc3)no2)c1 ZINC000036002659 525703003 /nfs/dbraw/zinc/70/30/03/525703003.db2.gz CRKIWRKZGVYQOV-QFIPXVFZSA-N 0 0 434.496 2.595 50 0 IFAARN COc1cccc(-c2nc(CS[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)c1 ZINC000012931299 525724560 /nfs/dbraw/zinc/72/45/60/525724560.db2.gz QGIBWIIWVOGAOF-GXTWGEPZSA-N 0 0 426.585 2.744 50 0 IFAARN COc1cccc(-n2c(=O)c3c(nc2SCC(=O)NCc2ccco2)CCS3)c1 ZINC000012140654 525742895 /nfs/dbraw/zinc/74/28/95/525742895.db2.gz QCEWARJYSOVXKL-UHFFFAOYSA-N 0 0 429.523 2.891 50 0 IFAARN Cc1c(Cl)c(NC(=O)c2ccn([C@H](C)C(=O)Nc3nn(C)c(C)c3Cl)n2)nn1C ZINC000020617537 525745598 /nfs/dbraw/zinc/74/55/98/525745598.db2.gz GKAJMLXKCZOUHE-SNVBAGLBSA-N 0 0 439.307 2.726 50 0 IFAARN Cc1c(Cl)c(NC(=O)c2ccn([C@@H](C)C(=O)Nc3nn(C)c(C)c3Cl)n2)nn1C ZINC000020617535 525746334 /nfs/dbraw/zinc/74/63/34/525746334.db2.gz GKAJMLXKCZOUHE-JTQLQIEISA-N 0 0 439.307 2.726 50 0 IFAARN CSCc1nc(=O)c2c(C)c(C(=O)NCCc3ccc4c(c3)OCCO4)sc2[nH]1 ZINC000012737945 525765856 /nfs/dbraw/zinc/76/58/56/525765856.db2.gz YVIGDXXXISXUKI-UHFFFAOYSA-N 0 0 431.539 2.900 50 0 IFAARN COc1cccc(/C=C\C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1OC ZINC000033556902 525770289 /nfs/dbraw/zinc/77/02/89/525770289.db2.gz XWJPXAHSBCHMBN-WDZFZDKYSA-N 0 0 426.469 2.736 50 0 IFAARN Cc1c(I)c(=O)[nH]c(=O)n1Cc1c(F)cccc1C(F)(F)F ZINC000035653305 525814477 /nfs/dbraw/zinc/81/44/77/525814477.db2.gz TZBUKGISILNJCR-UHFFFAOYSA-N 0 0 428.123 2.656 50 0 IFAARN COc1cccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCc4ccccc4C3)c2C)c1 ZINC000015865216 525842603 /nfs/dbraw/zinc/84/26/03/525842603.db2.gz FRACLRDZIMCKTO-UHFFFAOYSA-N 0 0 425.510 2.944 50 0 IFAARN C[C@@]1(CSc2ccccc2C(=O)Nc2cccc(N3CCCC3=O)c2)NC(=O)NC1=O ZINC000012907742 525855696 /nfs/dbraw/zinc/85/56/96/525855696.db2.gz KABKJIBQDGIDMF-QFIPXVFZSA-N 0 0 438.509 2.756 50 0 IFAARN COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)=C2)c1 ZINC000035339809 525858832 /nfs/dbraw/zinc/85/88/32/525858832.db2.gz JPAGQUIAIQVZQO-CVAIRZPRSA-N 0 0 431.558 2.986 50 0 IFAARN C[C@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000017598909 525880747 /nfs/dbraw/zinc/88/07/47/525880747.db2.gz CAJDKTOMMYALFT-JTQLQIEISA-N 0 0 430.288 2.974 50 0 IFAARN C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 ZINC000012928718 525882265 /nfs/dbraw/zinc/88/22/65/525882265.db2.gz ZUGMYNGIPOYBRZ-HNNXBMFYSA-N 0 0 438.933 2.599 50 0 IFAARN CC(=O)c1cccc(N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(C)(=O)=O)c1 ZINC000009526211 534889107 /nfs/dbraw/zinc/88/91/07/534889107.db2.gz CFUOJACGGJSJPV-UHFFFAOYSA-N 0 0 443.569 2.621 50 0 IFAARN C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)COc2cccc(Br)c2)C1=O ZINC000012874989 525891805 /nfs/dbraw/zinc/89/18/05/525891805.db2.gz HBDNFYDUHOMSDI-KXBFYZLASA-N 0 0 437.265 2.795 50 0 IFAARN C[C@H](OC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012628250 525894505 /nfs/dbraw/zinc/89/45/05/525894505.db2.gz NLOSVPJPGPBNGW-AWEZNQCLSA-N 0 0 442.497 2.531 50 0 IFAARN C[C@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CC(=O)Nc2ccccc21 ZINC000012746781 525894978 /nfs/dbraw/zinc/89/49/78/525894978.db2.gz PYBRLWFOCIUAQR-HNNXBMFYSA-N 0 0 430.464 2.892 50 0 IFAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccc(Cl)cc1 ZINC000021944437 525896110 /nfs/dbraw/zinc/89/61/10/525896110.db2.gz YGHYRIXKSIUNKO-CQSZACIVSA-N 0 0 437.901 2.789 50 0 IFAARN COc1cccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016742498 525905817 /nfs/dbraw/zinc/90/58/17/525905817.db2.gz VJPCELBSBWVQAO-KRWDZBQOSA-N 0 0 449.525 2.551 50 0 IFAARN Cc1ccc(-n2nc(N3CCN(C(=O)c4cc(-c5cccs5)n[nH]4)CC3)ccc2=O)cc1 ZINC000021535125 525929852 /nfs/dbraw/zinc/92/98/52/525929852.db2.gz IJZXMSDACCDRLM-UHFFFAOYSA-N 0 0 446.536 2.955 50 0 IFAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000012521791 525930429 /nfs/dbraw/zinc/93/04/29/525930429.db2.gz KNLVQYFXASFNCP-QGZVFWFLSA-N 0 0 429.492 2.905 50 0 IFAARN Cc1ccc(-n2nc(O[C@@H](C)C(=O)N3CCN(c4ccccc4)CC3)ccc2=O)cc1C ZINC000033125274 525930671 /nfs/dbraw/zinc/93/06/71/525930671.db2.gz IHVPERJODFMXAH-FQEVSTJZSA-N 0 0 432.524 2.965 50 0 IFAARN Cc1cn2c(nc(C)c(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2=O)s1 ZINC000020921938 525939221 /nfs/dbraw/zinc/93/92/21/525939221.db2.gz QHNWQAHCBSOHHP-UHFFFAOYSA-N 0 0 438.962 2.537 50 0 IFAARN C[C@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)C(=O)N(C)c1ccccc1 ZINC000016044052 525940732 /nfs/dbraw/zinc/94/07/32/525940732.db2.gz YTJHNDHSPUYQAH-HNNXBMFYSA-N 0 0 438.933 2.791 50 0 IFAARN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000012368812 525954279 /nfs/dbraw/zinc/95/42/79/525954279.db2.gz NPTSJAYJEUOAPI-UHFFFAOYSA-N 0 0 430.960 2.989 50 0 IFAARN COc1cccc(CNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)c1OC ZINC000021531635 525965773 /nfs/dbraw/zinc/96/57/73/525965773.db2.gz DOQSXWVIDAWALQ-UHFFFAOYSA-N 0 0 427.530 2.879 50 0 IFAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 ZINC000012481052 525968284 /nfs/dbraw/zinc/96/82/84/525968284.db2.gz MVZGFIWRLXHKIU-QGZVFWFLSA-N 0 0 435.546 2.797 50 0 IFAARN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000012653042 525986674 /nfs/dbraw/zinc/98/66/74/525986674.db2.gz RGNOXXLBNVLNHO-UHFFFAOYSA-N 0 0 445.360 2.999 50 0 IFAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)cc3N2)cc1 ZINC000012468193 526031452 /nfs/dbraw/zinc/03/14/52/526031452.db2.gz KYRGRLBASAZZSZ-AEFFLSMTSA-N 0 0 437.466 2.914 50 0 IFAARN C[C@H](C(=O)NC1CCCCCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012732642 526033782 /nfs/dbraw/zinc/03/37/82/526033782.db2.gz SEDOZXMVIAROFR-MRXNPFEDSA-N 0 0 427.998 2.874 50 0 IFAARN Cc1cc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)s2)on1 ZINC000020978390 526041681 /nfs/dbraw/zinc/04/16/81/526041681.db2.gz RMRCLLDOYZNIAO-UHFFFAOYSA-N 0 0 447.538 2.947 50 0 IFAARN COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)CSC)C2)c1 ZINC000014537374 526057024 /nfs/dbraw/zinc/05/70/24/526057024.db2.gz ZMALQCXMJUVUAB-JOCHJYFZSA-N 0 0 442.581 2.857 50 0 IFAARN Cc1cc(=O)c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)nn1-c1ccccc1 ZINC000016506361 526126291 /nfs/dbraw/zinc/12/62/91/526126291.db2.gz XCEAFCNSWPLLNN-UHFFFAOYSA-N 0 0 430.508 2.710 50 0 IFAARN Cc1cc(=O)c(C(=O)OCc2cc(=O)n3ccsc3n2)nn1-c1ccc(Cl)cc1 ZINC000012785729 526132911 /nfs/dbraw/zinc/13/29/11/526132911.db2.gz YGHYTOMAZQBUJX-UHFFFAOYSA-N 0 0 428.857 2.621 50 0 IFAARN CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 ZINC000020994282 526133031 /nfs/dbraw/zinc/13/30/31/526133031.db2.gz UWKRICRMVHTVTO-ZDUSSCGKSA-N 0 0 447.538 2.882 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)nn1-c1ccccc1 ZINC000027447559 526133445 /nfs/dbraw/zinc/13/34/45/526133445.db2.gz CNQTXWWLIUPVOF-UHFFFAOYSA-N 0 0 432.480 2.794 50 0 IFAARN C[C@H](C(=O)Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012882352 526141102 /nfs/dbraw/zinc/14/11/02/526141102.db2.gz VAZFWUVKEJFXHJ-MRXNPFEDSA-N 0 0 431.533 2.648 50 0 IFAARN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000021842054 526142985 /nfs/dbraw/zinc/14/29/85/526142985.db2.gz CYQJPXBOTKEEQL-LJQANCHMSA-N 0 0 429.609 2.536 50 0 IFAARN C[C@@H](c1ccon1)N(C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000012453868 526153522 /nfs/dbraw/zinc/15/35/22/526153522.db2.gz IZSPKQKCGBJNPN-BVZFJXPGSA-N 0 0 446.507 2.919 50 0 IFAARN C[C@H](c1ccon1)N(C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000012453866 526160065 /nfs/dbraw/zinc/16/00/65/526160065.db2.gz IZSPKQKCGBJNPN-CJAUYULYSA-N 0 0 446.507 2.919 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000012922339 526168418 /nfs/dbraw/zinc/16/84/18/526168418.db2.gz DMIBGODQRNGEPU-MRXNPFEDSA-N 0 0 432.274 2.602 50 0 IFAARN COc1cccc(NC(=O)Cn2nc(SC)c(S(=O)(=O)c3ccc(C)cc3)c2N)c1 ZINC000021910935 526184410 /nfs/dbraw/zinc/18/44/10/526184410.db2.gz JMGMCDTWBBUVGN-UHFFFAOYSA-N 0 0 446.554 2.976 50 0 IFAARN Cc1cc(C(=O)CN2CCN(c3ncccn3)CC2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000035362419 526209175 /nfs/dbraw/zinc/20/91/75/526209175.db2.gz VLEISURZIUAIQG-HXUWFJFHSA-N 0 0 447.539 2.740 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2F)n1N ZINC000021097439 526217083 /nfs/dbraw/zinc/21/70/83/526217083.db2.gz CNDMJTMITVVKKV-LBPRGKRZSA-N 0 0 426.477 2.654 50 0 IFAARN COc1cccc(OCC(=O)Nc2cc(C3CC3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)c1 ZINC000012130526 526230268 /nfs/dbraw/zinc/23/02/68/526230268.db2.gz HUDZYHGKGAYQTF-UHFFFAOYSA-N 0 0 435.484 2.738 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC(=O)NC1CCCCC1 ZINC000035560481 526252977 /nfs/dbraw/zinc/25/29/77/526252977.db2.gz RGASDNYAJGVBTC-KRWDZBQOSA-N 0 0 447.601 2.978 50 0 IFAARN Cc1ccc2nc3c(cc2c1)CCN3C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000015841867 526256675 /nfs/dbraw/zinc/25/66/75/526256675.db2.gz SBAWTEXTRJLVCS-UHFFFAOYSA-N 0 0 437.521 2.767 50 0 IFAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c12 ZINC000036616675 526296049 /nfs/dbraw/zinc/29/60/49/526296049.db2.gz LSLPZDCCTOVKHV-UHFFFAOYSA-N 0 0 435.509 2.996 50 0 IFAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2 ZINC000020681555 526319997 /nfs/dbraw/zinc/31/99/97/526319997.db2.gz BFPRBILDVPNPFD-UHFFFAOYSA-N 0 0 429.517 2.527 50 0 IFAARN O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)N1CCC2(CC1)OCCO2 ZINC000035459797 526366766 /nfs/dbraw/zinc/36/67/66/526366766.db2.gz SOVOPNKFBPASRU-UHFFFAOYSA-N 0 0 448.994 2.558 50 0 IFAARN O=C(CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)NCCc1ccccc1 ZINC000020716089 526379479 /nfs/dbraw/zinc/37/94/79/526379479.db2.gz NXYVZTYGPOHMHG-UHFFFAOYSA-N 0 0 432.524 2.591 50 0 IFAARN Cc1nnc(S[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)n1-c1cccc(C)c1 ZINC000012552782 526389378 /nfs/dbraw/zinc/38/93/78/526389378.db2.gz GTYBYQKSGJGAGX-MRXNPFEDSA-N 0 0 439.541 2.942 50 0 IFAARN O=C(CCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000021661312 526393287 /nfs/dbraw/zinc/39/32/87/526393287.db2.gz KMPXYINRVLFUDK-UHFFFAOYSA-N 0 0 432.933 2.982 50 0 IFAARN O=C(CCC1=NNC(=O)CC1)NCCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000020783525 526393538 /nfs/dbraw/zinc/39/35/38/526393538.db2.gz OTSXWPPCCFUVLG-JOCHJYFZSA-N 0 0 438.503 2.924 50 0 IFAARN O=C(OCCOc1ccccc1F)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012781521 526419838 /nfs/dbraw/zinc/41/98/38/526419838.db2.gz YKHPNXKZNUZZAS-UHFFFAOYSA-N 0 0 425.453 2.988 50 0 IFAARN O=C(CCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCCc1c[nH]c2ccccc12 ZINC000012902995 526433264 /nfs/dbraw/zinc/43/32/64/526433264.db2.gz YEWIUHSCRBTZRO-QFIPXVFZSA-N 0 0 430.508 2.996 50 0 IFAARN Cc1nnsc1C(=O)NC[C@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 ZINC000012282511 526443975 /nfs/dbraw/zinc/44/39/75/526443975.db2.gz ZYQUBMZZWTUXPL-OAHLLOKOSA-N 0 0 429.523 2.651 50 0 IFAARN O=C(NCCc1cnccn1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000012463273 526452511 /nfs/dbraw/zinc/45/25/11/526452511.db2.gz DXIPOWQZMXKCBN-IBGZPJMESA-N 0 0 428.540 2.998 50 0 IFAARN O=C(NCCc1cscn1)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 ZINC000020782993 526457169 /nfs/dbraw/zinc/45/71/69/526457169.db2.gz KHHRRXMENJIBMX-QPJJXVBHSA-N 0 0 437.569 2.935 50 0 IFAARN O=C(NCCn1ncc2c1ncn(Cc1ccc(F)cc1)c2=O)c1ccccc1Cl ZINC000012071701 526478786 /nfs/dbraw/zinc/47/87/86/526478786.db2.gz UAVRPJPONPSMJY-UHFFFAOYSA-N 0 0 425.851 2.864 50 0 IFAARN O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000012886704 526479246 /nfs/dbraw/zinc/47/92/46/526479246.db2.gz HBSIGFMAIRSOTN-RJKQYODTSA-N 0 0 449.532 2.921 50 0 IFAARN O=C(CCN1C(=O)CSc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020902341 526479740 /nfs/dbraw/zinc/47/97/40/526479740.db2.gz YSEDFGIFQDUYLC-UHFFFAOYSA-N 0 0 439.537 2.589 50 0 IFAARN O=C(NC[C@@H](c1ccsc1)N1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000022766608 526494795 /nfs/dbraw/zinc/49/47/95/526494795.db2.gz KGPQCWPCSTVESW-INIZCTEOSA-N 0 0 427.448 2.895 50 0 IFAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000021663132 526504228 /nfs/dbraw/zinc/50/42/28/526504228.db2.gz CLRPTQXGQGIXJD-AWEZNQCLSA-N 0 0 446.558 2.699 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)N1CCc2ccccc2C1 ZINC000020995512 526537100 /nfs/dbraw/zinc/53/71/00/526537100.db2.gz XLJLPJLDALWIRM-UHFFFAOYSA-N 0 0 438.549 2.734 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012775071 526549296 /nfs/dbraw/zinc/54/92/96/526549296.db2.gz REVFXOSVVWMAOX-UHFFFAOYSA-N 0 0 431.436 2.847 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccnc4)C3)c(C)s2)no1 ZINC000035555220 526562315 /nfs/dbraw/zinc/56/23/15/526562315.db2.gz XHDFTYIGVAEBDO-AWEZNQCLSA-N 0 0 447.542 2.849 50 0 IFAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCC4)C3)c2)no1 ZINC000021717987 526567020 /nfs/dbraw/zinc/56/70/20/526567020.db2.gz YTKIHHRXQSXBNQ-KRWDZBQOSA-N 0 0 432.546 2.813 50 0 IFAARN Cc1nc(-c2ccc(N3CCN(C(=O)[C@H]4CC(=O)N(c5ccccc5)C4)CC3)cc2)no1 ZINC000021884639 526576140 /nfs/dbraw/zinc/57/61/40/526576140.db2.gz REAKIKLRFKHAJM-IBGZPJMESA-N 0 0 431.496 2.747 50 0 IFAARN O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012563414 526579385 /nfs/dbraw/zinc/57/93/85/526579385.db2.gz LDESZLTUPOSBLE-UHFFFAOYSA-N 0 0 446.529 2.821 50 0 IFAARN O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000022784747 526581595 /nfs/dbraw/zinc/58/15/95/526581595.db2.gz UKUDJBGHTLCBRZ-CVDCTZTESA-N 0 0 437.565 2.897 50 0 IFAARN O=C(c1cc(-c2ccccn2)n[nH]1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000021940885 526593259 /nfs/dbraw/zinc/59/32/59/526593259.db2.gz FYXYNUQYYIHAGV-UHFFFAOYSA-N 0 0 444.539 2.673 50 0 IFAARN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000035508158 526593447 /nfs/dbraw/zinc/59/34/47/526593447.db2.gz XWPALWUZQVKZGD-HXUWFJFHSA-N 0 0 444.539 2.673 50 0 IFAARN O=C(CCc1ccccc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)cc1 ZINC000020603618 526606381 /nfs/dbraw/zinc/60/63/81/526606381.db2.gz SKRNIPULDQVWSB-UHFFFAOYSA-N 0 0 432.517 2.798 50 0 IFAARN O=C(NC[C@H]1COCCO1)c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1 ZINC000020938610 526624355 /nfs/dbraw/zinc/62/43/55/526624355.db2.gz PCYDTJGDJPIRPX-NRFANRHFSA-N 0 0 446.507 2.632 50 0 IFAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012898651 526643768 /nfs/dbraw/zinc/64/37/68/526643768.db2.gz XQJCXZMZOXSUKA-UHFFFAOYSA-N 0 0 438.459 2.881 50 0 IFAARN O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000021936153 526658210 /nfs/dbraw/zinc/65/82/10/526658210.db2.gz VKLUQWGIUCMMKH-UHFFFAOYSA-N 0 0 427.570 2.749 50 0 IFAARN O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(c2nn3c(nc4c(c3=O)CCCC4)s2)C1 ZINC000021663947 526672888 /nfs/dbraw/zinc/67/28/88/526672888.db2.gz IDBGCKUSLJMPGN-OAHLLOKOSA-N 0 0 441.532 2.702 50 0 IFAARN O=C(NCc1ccc(F)cc1)c1nnc(CSc2nnnn2-c2ccc(O)cc2)s1 ZINC000023138524 526675901 /nfs/dbraw/zinc/67/59/01/526675901.db2.gz GTPVGKISCPKSBG-UHFFFAOYSA-N 0 0 443.489 2.581 50 0 IFAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc(F)ccc2-n2cnnn2)CC1 ZINC000012321337 526678193 /nfs/dbraw/zinc/67/81/93/526678193.db2.gz NQENOVCXWYZXNR-UHFFFAOYSA-N 0 0 449.273 2.706 50 0 IFAARN O=C(CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCCc1c[nH]c2ccccc12 ZINC000012440241 526682533 /nfs/dbraw/zinc/68/25/33/526682533.db2.gz DKYLYECYBDNQDM-UHFFFAOYSA-N 0 0 444.470 2.952 50 0 IFAARN O=C(c1ccc(F)cc1)[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)n1ccccc1=O ZINC000012630338 526691222 /nfs/dbraw/zinc/69/12/22/526691222.db2.gz MGVIXAYLJZODOV-HSZRJFAPSA-N 0 0 433.483 2.756 50 0 IFAARN O=C(CCn1nnc2cc(-c3noc(-c4cccc5[nH]ccc54)n3)ccc21)N1CCOCC1 ZINC000035460663 526691504 /nfs/dbraw/zinc/69/15/04/526691504.db2.gz VLXJEYYVYJIYCS-UHFFFAOYSA-N 0 0 443.467 2.879 50 0 IFAARN O=C(CN(C1=N[C@H]2CS(=O)(=O)C[C@H]2S1)c1ccccc1F)Nc1ccc(F)cc1 ZINC000020867486 526693816 /nfs/dbraw/zinc/69/38/16/526693816.db2.gz MAIINYUFWDRJTL-DOTOQJQBSA-N 0 0 437.493 2.678 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000012229925 526699907 /nfs/dbraw/zinc/69/99/07/526699907.db2.gz SOALVZMSSCVOQC-KRWDZBQOSA-N 0 0 439.493 2.568 50 0 IFAARN Cc1nonc1C(=O)N(Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCCCNC1=O ZINC000012190819 526700525 /nfs/dbraw/zinc/70/05/25/526700525.db2.gz SVUWLDWGNUMBSU-FQEVSTJZSA-N 0 0 435.484 2.663 50 0 IFAARN O=C(c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCc2ccccc21 ZINC000012521221 526702688 /nfs/dbraw/zinc/70/26/88/526702688.db2.gz UTNLNSXPRLFAML-UHFFFAOYSA-N 0 0 434.477 2.860 50 0 IFAARN Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1cc(F)ccc1F)CC2 ZINC000012191460 526702755 /nfs/dbraw/zinc/70/27/55/526702755.db2.gz HKMJDQNPRCNNMR-ZNNBYXKUSA-N 0 0 430.455 2.957 50 0 IFAARN O=C(c1ccc(OC(F)F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012759966 526706668 /nfs/dbraw/zinc/70/66/68/526706668.db2.gz UEBFMJUCTIFQSX-UHFFFAOYSA-N 0 0 436.480 2.923 50 0 IFAARN O=C(c1ccc2c3c(cccc31)CC2)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000021437202 526730469 /nfs/dbraw/zinc/73/04/69/526730469.db2.gz HBJXMBYIYWKMKD-UHFFFAOYSA-N 0 0 430.533 2.966 50 0 IFAARN O=C(NCc1ccccc1-n1cncn1)c1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000012298939 526742775 /nfs/dbraw/zinc/74/27/75/526742775.db2.gz JXUPIAQGTCBURU-UHFFFAOYSA-N 0 0 427.390 2.856 50 0 IFAARN Cc1nc(C)n(CC(=O)N(Cc2cccc(OC[C@H]3CCOC3)c2)Cc2ccccn2)n1 ZINC000012167795 526757689 /nfs/dbraw/zinc/75/76/89/526757689.db2.gz BWHWHRJOHHYJOB-NRFANRHFSA-N 0 0 435.528 2.934 50 0 IFAARN O=C(CN1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1)N1CCCCC1 ZINC000035349130 526764788 /nfs/dbraw/zinc/76/47/88/526764788.db2.gz SUOMFFGMACHMQE-UHFFFAOYSA-N 0 0 440.569 2.771 50 0 IFAARN O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1)N1CCOCC1 ZINC000035361611 526764901 /nfs/dbraw/zinc/76/49/01/526764901.db2.gz IHWSLUAGXMUVLY-UHFFFAOYSA-N 0 0 444.535 2.518 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000035414174 526765824 /nfs/dbraw/zinc/76/58/24/526765824.db2.gz ZFCSVSAVBRUHNQ-LJQANCHMSA-N 0 0 439.512 2.562 50 0 IFAARN O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)NC[C@@H]1CCCO1 ZINC000022781870 526766004 /nfs/dbraw/zinc/76/60/04/526766004.db2.gz JLKOOQMDJMQAQR-QFIPXVFZSA-N 0 0 429.511 2.967 50 0 IFAARN O=C(CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)NC1CC1 ZINC000012874799 526766644 /nfs/dbraw/zinc/76/66/44/526766644.db2.gz YZAJSFJWFSLCRC-UHFFFAOYSA-N 0 0 429.524 2.576 50 0 IFAARN O=C(CN1CCN(Cc2ccco2)CC1)Nc1ccccc1I ZINC000022914224 526776247 /nfs/dbraw/zinc/77/62/47/526776247.db2.gz NZUGDLIGAKLFPM-UHFFFAOYSA-N 0 0 425.270 2.641 50 0 IFAARN O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N1CCN(c2ccccc2)CC1 ZINC000022798834 526776811 /nfs/dbraw/zinc/77/68/11/526776811.db2.gz OCOTZGPKSRINJO-UHFFFAOYSA-N 0 0 435.597 2.763 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)NC1CCCCC1 ZINC000012859104 526778563 /nfs/dbraw/zinc/77/85/63/526778563.db2.gz SZLGWPAEVGQRIU-UHFFFAOYSA-N 0 0 434.389 2.749 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)NCCc1cccs1 ZINC000035361535 526779822 /nfs/dbraw/zinc/77/98/22/526779822.db2.gz IWJKCKXZGQABSR-UHFFFAOYSA-N 0 0 443.594 2.567 50 0 IFAARN O=C(CN1CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1)N1CCOCC1 ZINC000022780927 526781308 /nfs/dbraw/zinc/78/13/08/526781308.db2.gz DGHMBXABBHDLBQ-RUZDIDTESA-N 0 0 446.551 2.568 50 0 IFAARN O=C(CN1CCN(c2ccc(F)cc2)CC1)NC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000035754357 526782806 /nfs/dbraw/zinc/78/28/06/526782806.db2.gz QOJPBHFTAYRKIG-UHFFFAOYSA-N 0 0 441.482 2.637 50 0 IFAARN Cc1occc1-c1nnc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n1C ZINC000021128632 526797212 /nfs/dbraw/zinc/79/72/12/526797212.db2.gz NMIDPKFDDXRWLU-UHFFFAOYSA-N 0 0 429.458 2.595 50 0 IFAARN O=C(CN1c2cc(Cl)ccc2Oc2ncccc2C1=O)N1CCC2(CC1)OCCO2 ZINC000020927834 526824860 /nfs/dbraw/zinc/82/48/60/526824860.db2.gz CHICGGDDYHBBCM-UHFFFAOYSA-N 0 0 429.860 2.853 50 0 IFAARN O=C(CNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1)NC[C@H](O)c1ccccc1 ZINC000012389258 526837192 /nfs/dbraw/zinc/83/71/92/526837192.db2.gz FBEFJQHZDPZOQS-FQEVSTJZSA-N 0 0 426.904 2.739 50 0 IFAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCN(c2ccccc2F)CC1 ZINC000020744901 526838023 /nfs/dbraw/zinc/83/80/23/526838023.db2.gz PMODSPIRQXHUDQ-UHFFFAOYSA-N 0 0 435.503 2.724 50 0 IFAARN NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)CC1 ZINC000035422719 526848989 /nfs/dbraw/zinc/84/89/89/526848989.db2.gz AETREUNNMGEGMM-UHFFFAOYSA-N 0 0 442.560 2.824 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1nnc2ccccn21)OCc1ccccc1 ZINC000022615792 526864305 /nfs/dbraw/zinc/86/43/05/526864305.db2.gz NQMUXGTUOGRXJN-FQEVSTJZSA-N 0 0 429.480 2.883 50 0 IFAARN O=C(CNC(=O)c1ccco1)NCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000012764215 526869350 /nfs/dbraw/zinc/86/93/50/526869350.db2.gz AYSGLSBQZDLGQQ-JOABDTNPSA-N 0 0 443.503 2.539 50 0 IFAARN Cc1sc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)nc1-c1ccc(F)cc1 ZINC000024764066 526878703 /nfs/dbraw/zinc/87/87/03/526878703.db2.gz OUWWWUCEKIBNBD-UHFFFAOYSA-N 0 0 438.492 2.945 50 0 IFAARN O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCO2 ZINC000012650146 526909066 /nfs/dbraw/zinc/90/90/66/526909066.db2.gz KMXKCYILNGIVPC-UHFFFAOYSA-N 0 0 425.224 2.634 50 0 IFAARN O=C(c1nc2sccn2c1CN1CCN(c2cnccn2)CC1)N1CCCCCCC1 ZINC000020204879 526919772 /nfs/dbraw/zinc/91/97/72/526919772.db2.gz HXQBLPHKHATCPV-UHFFFAOYSA-N 0 0 439.589 2.914 50 0 IFAARN O=C(COc1ccc2c(c1)CCC(=O)N2)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024759590 526969358 /nfs/dbraw/zinc/96/93/58/526969358.db2.gz GRRHXLKFMRYCCG-UHFFFAOYSA-N 0 0 435.461 2.916 50 0 IFAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012572972 526973840 /nfs/dbraw/zinc/97/38/40/526973840.db2.gz BWCMVXZJJJGJCR-UHFFFAOYSA-N 0 0 426.494 2.878 50 0 IFAARN NC(=O)[C@@H]1CN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c2ccccc2O1 ZINC000012585906 526979517 /nfs/dbraw/zinc/97/95/17/526979517.db2.gz HCVXIOHTWVWZCA-APWZRJJASA-N 0 0 436.493 2.772 50 0 IFAARN O=C(COc1ccccc1)Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1 ZINC000020984106 526987315 /nfs/dbraw/zinc/98/73/15/526987315.db2.gz ZIGYEZPHBDTRCR-UHFFFAOYSA-N 0 0 431.524 2.917 50 0 IFAARN O=C(COc1ccccc1F)NCCn1ncc2c1ncnc2NCCc1ccccc1 ZINC000035590567 526993058 /nfs/dbraw/zinc/99/30/58/526993058.db2.gz LKAFWZAKSPWJQQ-UHFFFAOYSA-N 0 0 434.475 2.815 50 0 IFAARN O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)N1CCCCCC1 ZINC000022807520 527002385 /nfs/dbraw/zinc/00/23/85/527002385.db2.gz UMYDCWJHIHWFPJ-UHFFFAOYSA-N 0 0 439.556 2.739 50 0 IFAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012881557 527006670 /nfs/dbraw/zinc/00/66/70/527006670.db2.gz CRCOTJKDTIRDGC-UHFFFAOYSA-N 0 0 434.945 2.669 50 0 IFAARN O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012595800 527008248 /nfs/dbraw/zinc/00/82/48/527008248.db2.gz DUXHYAAFBQPVOJ-JOCHJYFZSA-N 0 0 437.521 2.622 50 0 IFAARN O=C1C[C@@H](N2CCN(Cc3cccs3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000022848375 527017616 /nfs/dbraw/zinc/01/76/16/527017616.db2.gz YELOASIDZOMSTC-QGZVFWFLSA-N 0 0 434.359 2.960 50 0 IFAARN O=C(CSCc1ccccc1)Nc1c2c(nn1CC(=O)NC[C@H]1CCCO1)CSC2 ZINC000023139248 527024266 /nfs/dbraw/zinc/02/42/66/527024266.db2.gz YYTMDAFIBRTGGH-MRXNPFEDSA-N 0 0 446.598 2.797 50 0 IFAARN O=C(CSCc1cccc(F)c1F)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012888607 527025204 /nfs/dbraw/zinc/02/52/04/527025204.db2.gz ZTBUPUXHERSSTE-UHFFFAOYSA-N 0 0 442.509 2.858 50 0 IFAARN O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCCC2)Nc1ccccc1 ZINC000022909221 527052395 /nfs/dbraw/zinc/05/23/95/527052395.db2.gz JNTGCECYUSGCDJ-UHFFFAOYSA-N 0 0 442.585 2.575 50 0 IFAARN NC(=O)c1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000022688942 527059659 /nfs/dbraw/zinc/05/96/59/527059659.db2.gz KJURTZNAPLKWKB-LFYBBSHMSA-N 0 0 425.466 2.509 50 0 IFAARN Cn1c(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)nc2ccccc21 ZINC000012548049 527060832 /nfs/dbraw/zinc/06/08/32/527060832.db2.gz KQNFIZFJIWFIRH-UHFFFAOYSA-N 0 0 432.933 2.941 50 0 IFAARN O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022912923 527086446 /nfs/dbraw/zinc/08/64/46/527086446.db2.gz NBTAJLIBRRIZNU-LJQANCHMSA-N 0 0 435.553 2.535 50 0 IFAARN O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000020566006 527089129 /nfs/dbraw/zinc/08/91/29/527089129.db2.gz CJPJSMBXTYOCDO-MTXNFPGFSA-N 0 0 435.911 2.809 50 0 IFAARN Cc1nc2c(c(=O)n1CC(=O)Nc1ccc3c(c1)OCCO3)CCN(Cc1ccccc1)C2 ZINC000035456010 527094822 /nfs/dbraw/zinc/09/48/22/527094822.db2.gz HONFDFZHRXJQND-UHFFFAOYSA-N 0 0 446.507 2.520 50 0 IFAARN O=C(CSc1nnnn1Cc1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000023873286 527095004 /nfs/dbraw/zinc/09/50/04/527095004.db2.gz SHWZUUXBFKAHFF-XBXARRHUSA-N 0 0 440.598 2.733 50 0 IFAARN Cn1c2cn(Cc3cccnc3)c(-c3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000012428153 527119016 /nfs/dbraw/zinc/11/90/16/527119016.db2.gz GGZPQRVBCQSFMO-UHFFFAOYSA-N 0 0 425.286 2.912 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)[C@H]1CC=CCC1 ZINC000012527495 527129786 /nfs/dbraw/zinc/12/97/86/527129786.db2.gz HZCVPYIQEHQNGX-ZWKOTPCHSA-N 0 0 449.573 2.593 50 0 IFAARN O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000035895157 527140007 /nfs/dbraw/zinc/14/00/07/527140007.db2.gz CXEOPBGOOGVGNI-VXNXHJTFSA-N 0 0 446.595 2.710 50 0 IFAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012029823 527164808 /nfs/dbraw/zinc/16/48/08/527164808.db2.gz HCRCFROMUAOMOU-INIZCTEOSA-N 0 0 447.456 2.919 50 0 IFAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NCc1ccco1 ZINC000012233399 527180263 /nfs/dbraw/zinc/18/02/63/527180263.db2.gz AITPOBPTNFRFQS-AWEZNQCLSA-N 0 0 425.445 2.668 50 0 IFAARN O=C(C[C@]1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O)N1CCC[C@H](CO)C1 ZINC000012245769 527188770 /nfs/dbraw/zinc/18/87/70/527188770.db2.gz ZGHMUISCBYQPBB-NBGIEHNGSA-N 0 0 426.557 2.885 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000024663200 527198101 /nfs/dbraw/zinc/19/81/01/527198101.db2.gz QWYFJYIGPLBGQS-ZDUSSCGKSA-N 0 0 435.406 2.601 50 0 IFAARN O=C(Cc1ccc(Cl)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 ZINC000020614793 527221486 /nfs/dbraw/zinc/22/14/86/527221486.db2.gz YVCUPCBIQZCXSY-UHFFFAOYSA-N 0 0 434.945 2.922 50 0 IFAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000015526236 527225110 /nfs/dbraw/zinc/22/51/10/527225110.db2.gz DVUZWRPTVXFBPT-UHFFFAOYSA-N 0 0 429.542 2.950 50 0 IFAARN O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Br)c1 ZINC000012630489 527250454 /nfs/dbraw/zinc/25/04/54/527250454.db2.gz GJXQNHBWKLBLPH-UHFFFAOYSA-N 0 0 431.333 2.790 50 0 IFAARN O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022659487 527257720 /nfs/dbraw/zinc/25/77/20/527257720.db2.gz FJEUPWZKCBDRLB-UHFFFAOYSA-N 0 0 442.459 2.585 50 0 IFAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000022018076 527263160 /nfs/dbraw/zinc/26/31/60/527263160.db2.gz MZMYUNWEQZIMEB-UHFFFAOYSA-N 0 0 433.449 2.670 50 0 IFAARN O=S(=O)(c1ccc(I)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000022298888 527276541 /nfs/dbraw/zinc/27/65/41/527276541.db2.gz FQDMDPBFTCYHPH-UHFFFAOYSA-N 0 0 442.322 2.798 50 0 IFAARN O=C(Nc1ccc2oc3ccccc3c2c1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000012920918 527307126 /nfs/dbraw/zinc/30/71/26/527307126.db2.gz PACFBYRLQAQZAP-UHFFFAOYSA-N 0 0 449.488 2.959 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(N3CCOc4ccccc43)s2)cc1 ZINC000020992019 527310441 /nfs/dbraw/zinc/31/04/41/527310441.db2.gz KCNORHCAIJNVBJ-UHFFFAOYSA-N 0 0 443.550 2.899 50 0 IFAARN NS(=O)(=O)c1ccc(CCNc2nc3ccccc3c3nc(-c4ccncc4)nn32)cc1 ZINC000020377141 527312543 /nfs/dbraw/zinc/31/25/43/527312543.db2.gz SATHLXHSHOBCJW-UHFFFAOYSA-N 0 0 445.508 2.642 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 ZINC000012823957 527312577 /nfs/dbraw/zinc/31/25/77/527312577.db2.gz NLCBQBSHVKOXDM-UHFFFAOYSA-N 0 0 442.516 2.510 50 0 IFAARN NS(=O)(=O)c1ccc(OCCOC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000021794210 527317975 /nfs/dbraw/zinc/31/79/75/527317975.db2.gz FPRNTOSLVAYFJG-UHFFFAOYSA-N 0 0 434.445 2.683 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012754003 527321530 /nfs/dbraw/zinc/32/15/30/527321530.db2.gz OQILREOYCWEVLK-OAQYLSRUSA-N 0 0 427.551 2.982 50 0 IFAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023989562 527348313 /nfs/dbraw/zinc/34/83/13/527348313.db2.gz IDGFLORWCUGEMT-OAQYLSRUSA-N 0 0 437.565 2.640 50 0 IFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)NCCc1ccccc1Cl ZINC000035450236 527350295 /nfs/dbraw/zinc/35/02/95/527350295.db2.gz HEFDGTUNPWKZNF-UHFFFAOYSA-N 0 0 448.910 2.619 50 0 IFAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1cccc(Cl)c1Cl ZINC000012918258 527369670 /nfs/dbraw/zinc/36/96/70/527369670.db2.gz AYHDBSWPPJETTG-UHFFFAOYSA-N 0 0 430.313 2.578 50 0 IFAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4cccs4)C3)ccc21 ZINC000015784530 527374424 /nfs/dbraw/zinc/37/44/24/527374424.db2.gz VMZXJNQWVCZWFH-QGZVFWFLSA-N 0 0 431.583 2.999 50 0 IFAARN O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1cccc(-c2ccno2)c1 ZINC000015768006 527397081 /nfs/dbraw/zinc/39/70/81/527397081.db2.gz KTGWRRIIIJWAFS-UHFFFAOYSA-N 0 0 449.492 2.928 50 0 IFAARN Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000021155534 527401698 /nfs/dbraw/zinc/40/16/98/527401698.db2.gz GOKOCPXIUBIYHI-HSZRJFAPSA-N 0 0 434.515 2.696 50 0 IFAARN O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000016044427 527403608 /nfs/dbraw/zinc/40/36/08/527403608.db2.gz RRQOEVUMBNAZRI-UHFFFAOYSA-N 0 0 440.525 2.600 50 0 IFAARN O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccc(I)cc1 ZINC000015398961 527413724 /nfs/dbraw/zinc/41/37/24/527413724.db2.gz OTVISDCGLBFUBG-UHFFFAOYSA-N 0 0 427.223 2.808 50 0 IFAARN O=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)N1CCN(c2ccccc2F)CC1 ZINC000033275228 527414374 /nfs/dbraw/zinc/41/43/74/527414374.db2.gz FIMCMYRLPRTSKG-UHFFFAOYSA-N 0 0 435.503 2.760 50 0 IFAARN O=C(Nc1ccccc1F)[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 ZINC000012408211 527421739 /nfs/dbraw/zinc/42/17/39/527421739.db2.gz DGIVXIYMZIBLJI-OAHLLOKOSA-N 0 0 433.443 2.536 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 ZINC000012575049 527450135 /nfs/dbraw/zinc/45/01/35/527450135.db2.gz OEXHGOPVAUAZDD-NRFANRHFSA-N 0 0 438.553 2.727 50 0 IFAARN O=C(Nc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000012749432 527455555 /nfs/dbraw/zinc/45/55/55/527455555.db2.gz KKSXBMHBWCORLN-LLVKDONJSA-N 0 0 430.349 2.945 50 0 IFAARN Cn1ccnc1[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(F)(F)F ZINC000012550474 527456759 /nfs/dbraw/zinc/45/67/59/527456759.db2.gz MBNHTHPXGHMDHE-OAHLLOKOSA-N 0 0 431.436 2.668 50 0 IFAARN O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012747159 527493752 /nfs/dbraw/zinc/49/37/52/527493752.db2.gz JLVATIBGSVDIPY-UHFFFAOYSA-N 0 0 428.510 2.703 50 0 IFAARN O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012806514 527495026 /nfs/dbraw/zinc/49/50/26/527495026.db2.gz FBSDJVUDUSCEKI-IBGZPJMESA-N 0 0 431.489 2.510 50 0 IFAARN Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1Oc1ccccc1Cl)c(=O)n2C ZINC000012535722 527496099 /nfs/dbraw/zinc/49/60/99/527496099.db2.gz PHDAOIOVIYISFW-UHFFFAOYSA-N 0 0 439.859 2.518 50 0 IFAARN Cn1nc(C(=O)N(CCCN2CCOCC2)Cc2ccco2)c2c1-c1ccccc1OC2 ZINC000020484915 527540877 /nfs/dbraw/zinc/54/08/77/527540877.db2.gz RHJOSFRZOIGUPE-UHFFFAOYSA-N 0 0 436.512 2.937 50 0 IFAARN Cn1nc(C(=O)Nc2cccc(F)c2)c2c1CCN(C(=O)CCC(=O)NC1CCCC1)C2 ZINC000035526993 527547884 /nfs/dbraw/zinc/54/78/84/527547884.db2.gz YCHSYAQOVQJSJM-UHFFFAOYSA-N 0 0 441.507 2.535 50 0 IFAARN Nn1c(SCC(=O)Nc2cccc3nsnc32)nnc1-c1ccc(OC(F)F)cc1 ZINC000019077046 527584551 /nfs/dbraw/zinc/58/45/51/527584551.db2.gz QDXOABQEYJHSNA-UHFFFAOYSA-N 0 0 449.468 2.996 50 0 IFAARN O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cnccn3)C[C@@H]12 ZINC000035871633 527596451 /nfs/dbraw/zinc/59/64/51/527596451.db2.gz RAYHVZXBLNAFET-MJGOQNOKSA-N 0 0 431.462 2.889 50 0 IFAARN Cc1nn(C(F)F)cc1S(=O)(=O)N(CCc1ccc(F)cc1)Cc1ccnn1C ZINC000020602615 527596871 /nfs/dbraw/zinc/59/68/71/527596871.db2.gz FTFJIYGETPFVIZ-UHFFFAOYSA-N 0 0 427.452 2.893 50 0 IFAARN O=C(/C=C/c1ccc(Br)o1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012781432 527605922 /nfs/dbraw/zinc/60/59/22/527605922.db2.gz NCBHZQQEXMXNQX-DBWMJRBXSA-N 0 0 447.285 2.566 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000015982310 527620438 /nfs/dbraw/zinc/62/04/38/527620438.db2.gz KDEJULSJVLSORJ-DUXPYHPUSA-N 0 0 426.469 2.766 50 0 IFAARN O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2 ZINC000001159768 527639935 /nfs/dbraw/zinc/63/99/35/527639935.db2.gz TZVFNKUWVDFRFK-SBDDDAINSA-N 0 0 434.539 2.789 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000020481279 527673471 /nfs/dbraw/zinc/67/34/71/527673471.db2.gz WHMRPHKVTKLMTA-UHFFFAOYSA-N 0 0 433.434 2.867 50 0 IFAARN Cc1nn(C)c2sc(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cc12 ZINC000012764701 527687606 /nfs/dbraw/zinc/68/76/06/527687606.db2.gz VUCZBFJDQPGEEU-UHFFFAOYSA-N 0 0 438.962 2.743 50 0 IFAARN Cc1nn(CC(=O)NCCC2=CCCCC2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000012911039 527702062 /nfs/dbraw/zinc/70/20/62/527702062.db2.gz YIHZWXLYNBKQEA-UHFFFAOYSA-N 0 0 434.562 2.920 50 0 IFAARN CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)cc2OC)n(C)c1=O ZINC000004249398 535148028 /nfs/dbraw/zinc/14/80/28/535148028.db2.gz KXXLXKIYVHMJBU-UHFFFAOYSA-N 0 0 427.505 2.646 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000008602516 535525476 /nfs/dbraw/zinc/52/54/76/535525476.db2.gz BMDKVKQDRMSYJW-UHFFFAOYSA-N 0 0 433.512 2.607 50 0 IFAARN CC[C@@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000010401464 535583307 /nfs/dbraw/zinc/58/33/07/535583307.db2.gz RXISGEFZVGPMSP-MRXNPFEDSA-N 0 0 430.526 2.900 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000004164826 536298213 /nfs/dbraw/zinc/29/82/13/536298213.db2.gz SMWBUCVUTANSFF-UHFFFAOYSA-N 0 0 436.537 2.869 50 0 IFAARN CNC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)c2ccccc2O1 ZINC000009869936 536367723 /nfs/dbraw/zinc/36/77/23/536367723.db2.gz FYBKFWOJTSLKMF-JTSKRJEESA-N 0 0 429.476 2.733 50 0 IFAARN COc1cc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc(Cl)c1OC ZINC000016964600 536891910 /nfs/dbraw/zinc/89/19/10/536891910.db2.gz PTAKRWRMZFFOME-LJQANCHMSA-N 0 0 446.887 2.624 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CCC(=O)Nc2nnc(CC(C)C)s2)CC1 ZINC000009210609 537064072 /nfs/dbraw/zinc/06/40/72/537064072.db2.gz DEFKVMOLYTUGOM-UHFFFAOYSA-N 0 0 431.562 2.813 50 0 IFAARN COc1ccccc1N1CCN(C(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)CC1 ZINC000009419617 537064341 /nfs/dbraw/zinc/06/43/41/537064341.db2.gz VEIMOPGMUXCNRP-UHFFFAOYSA-N 0 0 440.496 2.872 50 0 IFAARN COc1ccccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(Cc1ccccc1)c3=O ZINC000009519217 537076669 /nfs/dbraw/zinc/07/66/69/537076669.db2.gz SWNPMAWWYZSGBJ-INIZCTEOSA-N 0 0 431.496 2.741 50 0 IFAARN Cc1ccc2[nH]c(SCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nc2c1 ZINC000009096883 555509201 /nfs/dbraw/zinc/50/92/01/555509201.db2.gz POQBLROSFRWLOW-UHFFFAOYSA-N 0 0 446.554 2.623 50 0 IFAARN COc1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1Cl ZINC000000622144 555511118 /nfs/dbraw/zinc/51/11/18/555511118.db2.gz VXMKIJNTVPEUGO-UHFFFAOYSA-N 0 0 428.894 2.771 50 0 IFAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(C(=O)OC)c(OC)cc1OC ZINC000000628475 555513745 /nfs/dbraw/zinc/51/37/45/555513745.db2.gz KLCAFWOMJMCKFC-UHFFFAOYSA-N 0 0 447.484 2.851 50 0 IFAARN Cn1c2nc(SCC(=O)c3ccccc3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000000637693 555517320 /nfs/dbraw/zinc/51/73/20/555517320.db2.gz MYOCVUHVYXAPIA-UHFFFAOYSA-N 0 0 438.484 2.596 50 0 IFAARN COc1ccc(C)cc1N(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(C)cc1 ZINC000000656275 555525035 /nfs/dbraw/zinc/52/50/35/555525035.db2.gz AGVAGPVJJWSUGG-SFHVURJKSA-N 0 0 432.542 2.803 50 0 IFAARN Cc1c(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000000660580 555526407 /nfs/dbraw/zinc/52/64/07/555526407.db2.gz FCKKHJBZIXVYEL-UHFFFAOYSA-N 0 0 442.541 2.506 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(Cl)cc2)cc1 ZINC000000660558 555526423 /nfs/dbraw/zinc/52/64/23/555526423.db2.gz KNZUXAHTPAWYTF-GOSISDBHSA-N 0 0 438.933 2.839 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000000676736 555534915 /nfs/dbraw/zinc/53/49/15/555534915.db2.gz CSFLNCKSVAFROK-UHFFFAOYSA-N 0 0 430.404 2.897 50 0 IFAARN COc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC000000677156 555535555 /nfs/dbraw/zinc/53/55/55/555535555.db2.gz NBVJIVWPYQSSJG-UHFFFAOYSA-N 0 0 435.571 2.828 50 0 IFAARN CC(=O)Oc1ccc2nc(-c3ccc4c(c3)C(=O)N(Cc3cccnc3)C4=O)oc(=O)c2c1 ZINC000000692625 555541904 /nfs/dbraw/zinc/54/19/04/555541904.db2.gz HWSNTKIQSQPSIA-UHFFFAOYSA-N 0 0 441.399 2.972 50 0 IFAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(OC)c2OC)c1 ZINC000000779989 555554690 /nfs/dbraw/zinc/55/46/90/555554690.db2.gz NYUQXVUMJLLHSS-IBGZPJMESA-N 0 0 427.457 2.988 50 0 IFAARN O=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccco1 ZINC000000784733 555556109 /nfs/dbraw/zinc/55/61/09/555556109.db2.gz HOVZVPVRMGSLPG-OAQYLSRUSA-N 0 0 447.491 2.732 50 0 IFAARN COc1ccc(Cl)cc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000000798228 555558664 /nfs/dbraw/zinc/55/86/64/555558664.db2.gz AGSYKURUAXURCM-UHFFFAOYSA-N 0 0 438.933 2.711 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000000804910 555559634 /nfs/dbraw/zinc/55/96/34/555559634.db2.gz TYBDLUPUOSPNGT-UHFFFAOYSA-N 0 0 432.498 2.696 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)CC1 ZINC000000814972 555561389 /nfs/dbraw/zinc/56/13/89/555561389.db2.gz WACIKHRNXPQATL-QGZVFWFLSA-N 0 0 432.274 2.520 50 0 IFAARN CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000000815642 555561815 /nfs/dbraw/zinc/56/18/15/555561815.db2.gz FKHWVQBEYPSTKX-LJQANCHMSA-N 0 0 445.541 2.991 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 ZINC000000857916 555571600 /nfs/dbraw/zinc/57/16/00/555571600.db2.gz LCPXKFZUXXCEBQ-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccccc3)C2)cc1 ZINC000000953217 555589764 /nfs/dbraw/zinc/58/97/64/555589764.db2.gz MGYIMUZFRUUOGT-INIZCTEOSA-N 0 0 431.514 2.929 50 0 IFAARN NC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001012527 555602242 /nfs/dbraw/zinc/60/22/42/555602242.db2.gz IKISTPWQNTURSS-UHFFFAOYSA-N 0 0 441.484 2.754 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)n1 ZINC000001035330 555607848 /nfs/dbraw/zinc/60/78/48/555607848.db2.gz ABWLLIXGLRTVPK-UHFFFAOYSA-N 0 0 433.299 2.591 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000009712407 555617851 /nfs/dbraw/zinc/61/78/51/555617851.db2.gz RKMRNIXUDPWSSO-UHFFFAOYSA-N 0 0 445.541 2.951 50 0 IFAARN CS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cc4ccncc4)cc3)ccc21 ZINC000001068847 555619987 /nfs/dbraw/zinc/61/99/87/555619987.db2.gz BKQMVTFNHBIFCE-UHFFFAOYSA-N 0 0 443.550 2.795 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(I)cc1 ZINC000001072731 555621846 /nfs/dbraw/zinc/62/18/46/555621846.db2.gz CUVLCYRNUQMLMS-JTQLQIEISA-N 0 0 448.257 2.736 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000001073232 555622159 /nfs/dbraw/zinc/62/21/59/555622159.db2.gz XXSGKHSHBUCZOB-UHFFFAOYSA-N 0 0 427.276 2.583 50 0 IFAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)c1cc2ccccc2o1 ZINC000009712592 555622611 /nfs/dbraw/zinc/62/26/11/555622611.db2.gz SDWBCIRFMNBTAN-UHFFFAOYSA-N 0 0 426.450 2.678 50 0 IFAARN CCN1C(=O)N[C@H](c2cc(I)c(O)c(OC)c2)C(C(=O)OC)=C1C ZINC000001074538 555623202 /nfs/dbraw/zinc/62/32/02/555623202.db2.gz GQNNYLZUPVQPJZ-CYBMUJFWSA-N 0 0 446.241 2.539 50 0 IFAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(I)ccc1OC ZINC000001074620 555623674 /nfs/dbraw/zinc/62/36/74/555623674.db2.gz QCTGLWAKBIXZFT-CQSZACIVSA-N 0 0 430.242 2.833 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)c(OC)c2)cc1Cl ZINC000001076092 555623946 /nfs/dbraw/zinc/62/39/46/555623946.db2.gz BXXRTQLTFHMYDJ-UHFFFAOYSA-N 0 0 428.894 2.625 50 0 IFAARN COc1ccccc1CNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000001099384 555628394 /nfs/dbraw/zinc/62/83/94/555628394.db2.gz OETDOSIILFISGI-UHFFFAOYSA-N 0 0 427.320 2.540 50 0 IFAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000001119399 555636386 /nfs/dbraw/zinc/63/63/86/555636386.db2.gz MUZQPUGLGRMIGA-HNNXBMFYSA-N 0 0 433.530 2.628 50 0 IFAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccccc1OCC(=O)NCc1ccccc1 ZINC000001126626 555641041 /nfs/dbraw/zinc/64/10/41/555641041.db2.gz AQXXALMZFUQTLT-NRFANRHFSA-N 0 0 439.537 2.738 50 0 IFAARN CCOC(=O)COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1OC ZINC000001126789 555641354 /nfs/dbraw/zinc/64/13/54/555641354.db2.gz UHBSKFUYXGSFAR-OAQYLSRUSA-N 0 0 439.468 2.904 50 0 IFAARN COc1cccc(Oc2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C)c1 ZINC000001127206 555641637 /nfs/dbraw/zinc/64/16/37/555641637.db2.gz RONXSPBJAXOPAE-UHFFFAOYSA-N 0 0 426.860 2.936 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000001139645 555649091 /nfs/dbraw/zinc/64/90/91/555649091.db2.gz HNPQCEOPNXTTJM-UHFFFAOYSA-N 0 0 431.283 2.856 50 0 IFAARN COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1cc(Br)c(O)c(OC)c1 ZINC000001151752 555656626 /nfs/dbraw/zinc/65/66/26/555656626.db2.gz OBUWLMYTMFQLSM-UHFFFAOYSA-N 0 0 438.274 2.839 50 0 IFAARN O=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000001152509 555656901 /nfs/dbraw/zinc/65/69/01/555656901.db2.gz NGYGFOYXZCQAFI-UHFFFAOYSA-N 0 0 443.294 2.861 50 0 IFAARN CC(=O)Oc1ccc2nc(-c3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)oc(=O)c2c1 ZINC000001239203 555687156 /nfs/dbraw/zinc/68/71/56/555687156.db2.gz RKNLKUQFMFAGRL-OAHLLOKOSA-N 0 0 434.404 2.555 50 0 IFAARN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](c4ccccc4)CC3=O)c2)no1 ZINC000001440673 555697439 /nfs/dbraw/zinc/69/74/39/555697439.db2.gz BMNKUXTUJLSGSR-KRWDZBQOSA-N 0 0 425.466 2.940 50 0 IFAARN CCOc1c(Br)cc(C2C(C(=O)OC)=CN(C)C=C2C(=O)OC)cc1OC ZINC000001459560 555700197 /nfs/dbraw/zinc/70/01/97/555700197.db2.gz GHWXGIMICMXCPZ-UHFFFAOYSA-N 0 0 440.290 2.999 50 0 IFAARN COc1cc(OC)nc(CSc2ncc(C(=O)N3CCc4ccccc4C3)n2C)n1 ZINC000001742155 555711770 /nfs/dbraw/zinc/71/17/70/555711770.db2.gz ZFDYRGDTDJGBMH-UHFFFAOYSA-N 0 0 425.514 2.718 50 0 IFAARN O=S1(=O)CC[C@H](c2nnc(C3(c4cccc(Br)c4)CCOCC3)o2)C1 ZINC000071889887 555727006 /nfs/dbraw/zinc/72/70/06/555727006.db2.gz NEBHHTUHBCDLMI-LBPRGKRZSA-N 0 0 427.320 2.831 50 0 IFAARN CCOC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ccc(OCC)cc2s1 ZINC000002025050 555727702 /nfs/dbraw/zinc/72/77/02/555727702.db2.gz OEEGQOJGFOZLIE-UHFFFAOYSA-N 0 0 447.502 2.710 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000002064839 555733123 /nfs/dbraw/zinc/73/31/23/555733123.db2.gz RZLAXSUNLUDAQI-UHFFFAOYSA-N 0 0 440.905 2.930 50 0 IFAARN COc1ccc(/C=C(\NC(=O)c2cccc(Br)c2)C(=O)NCCCO)cc1 ZINC000002117546 555744947 /nfs/dbraw/zinc/74/49/47/555744947.db2.gz OKTKAOUAMIGESD-PDGQHHTCSA-N 0 0 433.302 2.727 50 0 IFAARN CCOC(=O)CNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000002323173 555768629 /nfs/dbraw/zinc/76/86/29/555768629.db2.gz HLYQIHXOSYSNMO-UHFFFAOYSA-N 0 0 431.905 2.754 50 0 IFAARN COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 ZINC000002332216 555769332 /nfs/dbraw/zinc/76/93/32/555769332.db2.gz PFFFMIOYUUMGJS-UHFFFAOYSA-N 0 0 438.538 2.974 50 0 IFAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O ZINC000002405555 555776383 /nfs/dbraw/zinc/77/63/83/555776383.db2.gz FSIRURUDQQUJEB-CYBMUJFWSA-N 0 0 447.480 2.689 50 0 aggregator IFAARN C[C@H](CN1CCN(c2ccccc2)C(=O)C1=O)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000046158822 555776656 /nfs/dbraw/zinc/77/66/56/555776656.db2.gz ZYSTWWUDFMOUKI-OAHLLOKOSA-N 0 0 433.430 2.833 50 0 IFAARN NC(=O)CSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1 ZINC000002415347 555777094 /nfs/dbraw/zinc/77/70/94/555777094.db2.gz VVNQQTUQFIGHNR-UHFFFAOYSA-N 0 0 437.262 2.568 50 0 IFAARN O=C(CCS(=O)(=O)c1cccc2nonc21)Nc1ccc(Br)cc1F ZINC000002457690 555782934 /nfs/dbraw/zinc/78/29/34/555782934.db2.gz IQRUWXUCYKWVCP-UHFFFAOYSA-N 0 0 428.239 2.927 50 0 IFAARN COc1ccc(Cl)cc1N1CCN(Cc2nc(C(=O)NCc3ccccn3)co2)CC1 ZINC000034668264 555792357 /nfs/dbraw/zinc/79/23/57/555792357.db2.gz QIKKAWJOPPLTNP-UHFFFAOYSA-N 0 0 441.919 2.984 50 0 IFAARN COCCN(C[C@H]1CN(Cc2ccc(OC)cc2OC)CCO1)C(=O)c1ccc(F)cc1 ZINC000034670700 555792703 /nfs/dbraw/zinc/79/27/03/555792703.db2.gz BZTJCJXAVMBDBC-JOCHJYFZSA-N 0 0 446.519 2.833 50 0 IFAARN Cc1cccc(NC(=O)c2coc(CN3CCN(C[C@H](O)COC(C)(C)C)CC3)n2)c1 ZINC000034677318 555795449 /nfs/dbraw/zinc/79/54/49/555795449.db2.gz GQMLYHAOLLMQTL-IBGZPJMESA-N 0 0 430.549 2.529 50 0 IFAARN Cc1ccc(NC(=O)c2coc(CN3CCN(C[C@@H](O)COC(C)(C)C)CC3)n2)cc1F ZINC000034677469 555795617 /nfs/dbraw/zinc/79/56/17/555795617.db2.gz WXWRKKJKXDDKRF-GOSISDBHSA-N 0 0 448.539 2.668 50 0 IFAARN O=C(c1ccccc1)N1CCN(C[C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)CC1 ZINC000034686288 555801471 /nfs/dbraw/zinc/80/14/71/555801471.db2.gz BQNLSIXMQLPXFM-NRFANRHFSA-N 0 0 442.560 2.681 50 0 IFAARN CCOC(=O)[C@@H](C)n1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1cccc(F)c1 ZINC000034693529 555807994 /nfs/dbraw/zinc/80/79/94/555807994.db2.gz LLURLYGVYRPMMV-OAHLLOKOSA-N 0 0 436.443 2.660 50 0 IFAARN CCOC(=O)[C@@H](C)n1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1 ZINC000034693649 555808049 /nfs/dbraw/zinc/80/80/49/555808049.db2.gz GNKIFKIUPMPFQG-OAHLLOKOSA-N 0 0 436.443 2.660 50 0 IFAARN COC(=O)c1ccc(Cn2cnc3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(F)cc2)cc1 ZINC000034694459 555809564 /nfs/dbraw/zinc/80/95/64/555809564.db2.gz NFHYMQVCIDHLMX-UHFFFAOYSA-N 0 0 434.427 2.658 50 0 IFAARN CCn1c(=O)c2c(ncn2Cc2ccccc2C(=O)OC)n(-c2cccc(Cl)c2)c1=O ZINC000034694745 555809693 /nfs/dbraw/zinc/80/96/93/555809693.db2.gz KYCIMORJDVLJBX-UHFFFAOYSA-N 0 0 438.871 2.857 50 0 IFAARN Cn1ncc(I)c1C(=O)Nc1ccn(Cc2ccccc2F)n1 ZINC000002749395 555810135 /nfs/dbraw/zinc/81/01/35/555810135.db2.gz XDVRGGTUBUJPFY-UHFFFAOYSA-N 0 0 425.205 2.661 50 0 IFAARN O=C(CSc1nnnn1-c1ccccc1)Nc1nnc(COc2ccccc2)s1 ZINC000002751077 555810411 /nfs/dbraw/zinc/81/04/11/555810411.db2.gz XGLOZCHUNGZUFS-UHFFFAOYSA-N 0 0 425.499 2.824 50 0 IFAARN Cc1cccc(CNC(=O)c2coc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c1 ZINC000034684361 555819883 /nfs/dbraw/zinc/81/98/83/555819883.db2.gz DDNMMYVRTSENIS-UHFFFAOYSA-N 0 0 448.523 2.960 50 0 IFAARN COCC(=O)N1CCN(c2nc3ccccc3c3nnc(-c4cccc(C)c4)n32)C[C@@H]1C ZINC000034707069 555821886 /nfs/dbraw/zinc/82/18/86/555821886.db2.gz IRDUOIOZDBVNBE-KRWDZBQOSA-N 0 0 430.512 2.936 50 0 IFAARN COCC(=O)N1C[C@H](C(=O)NCc2ccccc2)C[C@H](c2ccc(OC)c(OC)c2)C1 ZINC000034709349 555823488 /nfs/dbraw/zinc/82/34/88/555823488.db2.gz DYSSTWZAVRQXJD-VQTJNVASSA-N 0 0 426.513 2.599 50 0 IFAARN COc1cc(CNn2c(C)nnc2SCc2ccc(F)cc2)ccc1OCC(N)=O ZINC000002846329 555837675 /nfs/dbraw/zinc/83/76/75/555837675.db2.gz QYNQSIYFNJCPFG-UHFFFAOYSA-N 0 0 431.493 2.634 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)c1 ZINC000002877375 555852904 /nfs/dbraw/zinc/85/29/04/555852904.db2.gz UMLPPTLNZXHHDV-UHFFFAOYSA-N 0 0 440.481 2.786 50 0 IFAARN CCOC(=O)c1sc(NC(=O)[C@@H](CC)Sc2nnc(NC(C)=O)s2)nc1C ZINC000002881977 555855921 /nfs/dbraw/zinc/85/59/21/555855921.db2.gz GIWPDHRYXWFMHD-SECBINFHSA-N 0 0 429.549 2.948 50 0 IFAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000002886445 555857986 /nfs/dbraw/zinc/85/79/86/555857986.db2.gz OQOORCVHDDPVJD-OAHLLOKOSA-N 0 0 432.498 2.521 50 0 IFAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1I ZINC000002886425 555858022 /nfs/dbraw/zinc/85/80/22/555858022.db2.gz IBVAVZYRWVTFRU-UHFFFAOYSA-N 0 0 437.266 2.998 50 0 IFAARN COCCCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000002962170 555867999 /nfs/dbraw/zinc/86/79/99/555867999.db2.gz YQJCFKFRLVYZHO-UHFFFAOYSA-N 0 0 441.347 2.797 50 0 IFAARN COCCNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000003004816 555878520 /nfs/dbraw/zinc/87/85/20/555878520.db2.gz AWDCGPGLDPSOSE-UHFFFAOYSA-N 0 0 428.913 2.741 50 0 IFAARN CS(=O)(=O)Nc1cccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000010548205 555888755 /nfs/dbraw/zinc/88/87/55/555888755.db2.gz PTGUWCBDNTVRKG-UHFFFAOYSA-N 0 0 430.530 2.618 50 0 IFAARN CC1CCN(c2nc3c(c(N4CCN(C)CC4)n2)CN(C(=O)Cc2ccccc2)CC3)CC1 ZINC000034756154 555901404 /nfs/dbraw/zinc/90/14/04/555901404.db2.gz WEBNZLGJRSOFTB-UHFFFAOYSA-N 0 0 448.615 2.592 50 0 IFAARN COC(=O)c1c(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)sc2c1CCCC2 ZINC000034802311 555907894 /nfs/dbraw/zinc/90/78/94/555907894.db2.gz AYNGNTYWMNXGOX-UHFFFAOYSA-N 0 0 429.542 2.880 50 0 IFAARN Cc1ccc(CC(=O)N2CCc3n[nH]c(C(=O)NCc4ccc5c(c4)OCO5)c3C2)cc1 ZINC000034809842 555908166 /nfs/dbraw/zinc/90/81/66/555908166.db2.gz WMEBEHQCEYSBLM-UHFFFAOYSA-N 0 0 432.480 2.504 50 0 IFAARN O=C1CSc2nnc(COc3ccc4c(c3)OCO4)n2N1Cc1cc(F)cc(F)c1 ZINC000034810058 555908489 /nfs/dbraw/zinc/90/84/89/555908489.db2.gz FANDQOWQBIZFDK-UHFFFAOYSA-N 0 0 432.408 2.635 50 0 IFAARN CCOC(=O)[C@]1(C(F)(F)F)N=C(N2CCOCC2)Oc2c1c(C)nn2-c1ccccc1 ZINC000003612154 555940789 /nfs/dbraw/zinc/94/07/89/555940789.db2.gz NPINOMQCEYKMEP-LJQANCHMSA-N 0 0 438.406 2.582 50 0 IFAARN CCOC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1OC ZINC000003659160 555944483 /nfs/dbraw/zinc/94/44/83/555944483.db2.gz LHILTFMCCLHUHB-LICLKQGHSA-N 0 0 428.416 2.869 50 0 IFAARN COc1cc2c(cc1OC)[C@H](C(=O)NCc1cccnc1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004057634 555956046 /nfs/dbraw/zinc/95/60/46/555956046.db2.gz WXAKPQFTPJVJMF-FCHUYYIVSA-N 0 0 432.480 2.721 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)CC1 ZINC000004151080 555968724 /nfs/dbraw/zinc/96/87/24/555968724.db2.gz RHOVLUSHVNJIHZ-UHFFFAOYSA-N 0 0 444.528 2.517 50 0 IFAARN CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)Nc1nccs1 ZINC000004196604 555975345 /nfs/dbraw/zinc/97/53/45/555975345.db2.gz CPNPJAHFFILTBN-UHFFFAOYSA-N 0 0 432.531 2.675 50 0 IFAARN O=S(=O)(NC[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000004343201 555988654 /nfs/dbraw/zinc/98/86/54/555988654.db2.gz JACCPGIJNMWQBX-QFIPXVFZSA-N 0 0 442.562 2.953 50 0 IFAARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000004536458 556000173 /nfs/dbraw/zinc/00/01/73/556000173.db2.gz SWPXBDJUGLEKES-UXHICEINSA-N 0 0 428.485 2.544 50 0 biogenic,in-vitro IFAARN NC(=NC(=O)OCc1ccccc1)N(CCC[C@H]([NH3+])C(=O)[O-])C(=O)OCc1ccccc1 ZINC000004536326 556000181 /nfs/dbraw/zinc/00/01/81/556000181.db2.gz YPUMRXRWHYQIPH-SFHVURJKSA-N 0 0 442.472 2.678 50 0 IFAARN O=C(NCc1ccc(Cl)cc1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009529867 556003665 /nfs/dbraw/zinc/00/36/65/556003665.db2.gz OEPGLGHXFCTZIU-DLBZAZTESA-N 0 0 435.958 2.950 50 0 IFAARN COc1ccc(C(=O)N2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000004844688 556014866 /nfs/dbraw/zinc/01/48/66/556014866.db2.gz WRSZLMIOELLVGV-UHFFFAOYSA-N 0 0 426.513 2.924 50 0 IFAARN COC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000005023226 556028900 /nfs/dbraw/zinc/02/89/00/556028900.db2.gz PJKOLNKWGPPYIW-QFBILLFUSA-N 0 0 430.526 2.893 50 0 IFAARN COC(=O)[C@@H](Cc1nc2ccccc2[nH]c1=O)C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000005399569 556050759 /nfs/dbraw/zinc/05/07/59/556050759.db2.gz CHIWWIOVGHUPFF-NSHDSACASA-N 0 0 448.262 2.769 50 0 IFAARN CCOc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(CCCO)nn32)cc1 ZINC000006144558 556077809 /nfs/dbraw/zinc/07/78/09/556077809.db2.gz SBZJBPXFHMSRBZ-NRFANRHFSA-N 0 0 434.500 2.924 50 0 IFAARN CCCCCCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000006149671 556078232 /nfs/dbraw/zinc/07/82/32/556078232.db2.gz LDPOPFHOBQLKKA-UHFFFAOYSA-N 0 0 429.546 2.745 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000006353888 556085524 /nfs/dbraw/zinc/08/55/24/556085524.db2.gz VWSRTAMLXLLJBF-DPWKNNTCSA-N 0 0 439.924 2.847 50 0 IFAARN COc1cc([C@@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)cc(OC)c1OC ZINC000006461710 556090082 /nfs/dbraw/zinc/09/00/82/556090082.db2.gz PYLOPUNCJTVTKB-HXUWFJFHSA-N 0 0 435.484 2.909 50 0 IFAARN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(I)c2)C1=O ZINC000006491922 556091465 /nfs/dbraw/zinc/09/14/65/556091465.db2.gz YMGDJWIHPBTVDK-KPKJPENVSA-N 0 0 447.250 2.899 50 0 IFAARN COCCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000006904858 556109258 /nfs/dbraw/zinc/10/92/58/556109258.db2.gz NVWCNMNUCGMYON-LJQANCHMSA-N 0 0 427.457 2.516 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccc(C)cc2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000002693769 556120925 /nfs/dbraw/zinc/12/09/25/556120925.db2.gz DBIBABURPDLQRO-RTBURBONSA-N 0 0 445.566 2.717 50 0 IFAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)NCc2ccco2)CCS3)cc1 ZINC000002719864 556126177 /nfs/dbraw/zinc/12/61/77/556126177.db2.gz OZRCRBKYMIKAPE-UHFFFAOYSA-N 0 0 429.523 2.891 50 0 IFAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2nnc(C)s2)CCS3)cc1 ZINC000002719860 556126228 /nfs/dbraw/zinc/12/62/28/556126228.db2.gz XUAQOZYYZUZTSS-UHFFFAOYSA-N 0 0 447.567 2.780 50 0 IFAARN CCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc21 ZINC000002716636 556131357 /nfs/dbraw/zinc/13/13/57/556131357.db2.gz PQHPFYMYXCOOMD-UHFFFAOYSA-N 0 0 447.538 2.968 50 0 IFAARN Cc1c(C(N)=O)sc(NC(=O)c2nn(C)c(C)c2Br)c1C(=O)OC(C)C ZINC000002782424 556138054 /nfs/dbraw/zinc/13/80/54/556138054.db2.gz ATTGYOHFIJUVPU-UHFFFAOYSA-N 0 0 443.323 2.777 50 0 IFAARN Cn1ncc(I)c1C(=O)Nc1ccn(Cc2cccc(F)c2)n1 ZINC000002786167 556138602 /nfs/dbraw/zinc/13/86/02/556138602.db2.gz YNTQOPNNAJSSTM-UHFFFAOYSA-N 0 0 425.205 2.661 50 0 IFAARN C[C@@H](NC(=O)Cn1c2ccc(S(=O)(=O)NC3CCCC3)cc2oc1=O)c1ccccc1 ZINC000002929231 556149769 /nfs/dbraw/zinc/14/97/69/556149769.db2.gz RYAUEXNDJHITPB-OAHLLOKOSA-N 0 0 443.525 2.693 50 0 IFAARN CCOCCCNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000008246704 556154526 /nfs/dbraw/zinc/15/45/26/556154526.db2.gz DQMQLKWRSLAEAI-UHFFFAOYSA-N 0 0 427.501 2.927 50 0 IFAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)CS(=O)(=O)C3)cc1 ZINC000003008738 556155057 /nfs/dbraw/zinc/15/50/57/556155057.db2.gz VRRUQSZHQMBLIM-UHFFFAOYSA-N 0 0 435.461 2.968 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000008424760 556167953 /nfs/dbraw/zinc/16/79/53/556167953.db2.gz HAAXBSWVXZCUNO-XYSGSMRZSA-N 0 0 440.546 2.868 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1cccs1 ZINC000008425299 556168333 /nfs/dbraw/zinc/16/83/33/556168333.db2.gz APNHBUKSBRIQBQ-QIPHDZALSA-N 0 0 428.510 2.999 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008442919 556177719 /nfs/dbraw/zinc/17/77/19/556177719.db2.gz GCSRYIUBFIRDKF-CKNGIZQFSA-N 0 0 434.517 2.807 50 0 IFAARN CN1c2ccccc2[C@@](O)(CC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)C1=O ZINC000008444452 556178996 /nfs/dbraw/zinc/17/89/96/556178996.db2.gz OTFKXOZYJSBULY-RPPIVITFSA-N 0 0 432.476 2.803 50 0 IFAARN COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@H]1C(=O)N(c3cccnc3)C(=O)[C@@H]12 ZINC000008450420 556181251 /nfs/dbraw/zinc/18/12/51/556181251.db2.gz KQCJXOWIFYILBM-CXDKZYLESA-N 0 0 438.094 2.848 50 0 IFAARN CCNC(=O)C[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccc(OC)c(OC)c1 ZINC000008599519 556190716 /nfs/dbraw/zinc/19/07/16/556190716.db2.gz ZGZDEXHUISCILE-KRWDZBQOSA-N 0 0 429.448 2.707 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3cccnc32)cc1Cl ZINC000008604965 556191656 /nfs/dbraw/zinc/19/16/56/556191656.db2.gz HPRIMYOHMHZHTJ-UHFFFAOYSA-N 0 0 430.892 2.905 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)CC1 ZINC000008683742 556199617 /nfs/dbraw/zinc/19/96/17/556199617.db2.gz XFMGBFCRNYINFP-UHFFFAOYSA-N 0 0 430.526 2.927 50 0 IFAARN CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@@H]1CCCc2ccccc21 ZINC000008746078 556209720 /nfs/dbraw/zinc/20/97/20/556209720.db2.gz BYPPENLLCHBPQV-PXDATVDWSA-N 0 0 434.540 2.970 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CSc3nnc(N)s3)cc2)cc1 ZINC000008814350 556217045 /nfs/dbraw/zinc/21/70/45/556217045.db2.gz WGZBUPDAPPEJRA-UHFFFAOYSA-N 0 0 435.556 2.960 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008826748 556224480 /nfs/dbraw/zinc/22/44/80/556224480.db2.gz BLDNSYRSCINTMS-XYSGSMRZSA-N 0 0 440.546 2.868 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(CCOc1ccc(C)cc1)C2=O ZINC000008843688 556226466 /nfs/dbraw/zinc/22/64/66/556226466.db2.gz PROXFKYIKWHHPS-QFIPXVFZSA-N 0 0 438.509 2.576 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1cc(C)ccc1N(CCOc1ccccc1)C2=O ZINC000008843701 556226777 /nfs/dbraw/zinc/22/67/77/556226777.db2.gz VARTTYDZMCEQKN-JOCHJYFZSA-N 0 0 438.509 2.576 50 0 IFAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)N(CCc2ccccc2)C1=S ZINC000008916101 556232746 /nfs/dbraw/zinc/23/27/46/556232746.db2.gz CNHDYFRBDBAJOQ-LJQANCHMSA-N 0 0 439.537 2.862 50 0 IFAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@]1(c2ccccc2N(C)C1=O)N(C[C@@H]1CCCO1)C3=O ZINC000008917025 556232846 /nfs/dbraw/zinc/23/28/46/556232846.db2.gz MJJXOFCZCPJQMF-ODCWNRFASA-N 0 0 430.460 2.956 50 0 IFAARN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000008927481 556234632 /nfs/dbraw/zinc/23/46/32/556234632.db2.gz HCCITTNYYRILCR-AWEZNQCLSA-N 0 0 435.263 2.913 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccccc1 ZINC000008965130 556237170 /nfs/dbraw/zinc/23/71/70/556237170.db2.gz KCOZDSHLHLSRLO-CURYZJDOSA-N 0 0 434.517 2.807 50 0 IFAARN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 ZINC000009076144 556245109 /nfs/dbraw/zinc/24/51/09/556245109.db2.gz QOLVJHLBDLGJHD-MRXNPFEDSA-N 0 0 431.901 2.844 50 0 IFAARN O=C(NCCCN1CCCC1=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000009134102 556248839 /nfs/dbraw/zinc/24/88/39/556248839.db2.gz GWAUVKRNXHFPRY-SWLSCSKDSA-N 0 0 425.411 2.879 50 0 IFAARN CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 ZINC000009190983 556253246 /nfs/dbraw/zinc/25/32/46/556253246.db2.gz IYLJQZGXUWORLW-KRWDZBQOSA-N 0 0 447.532 2.544 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4OC)C3)c2c1 ZINC000009197006 556255148 /nfs/dbraw/zinc/25/51/48/556255148.db2.gz URFQSOYDFOGNIC-MRXNPFEDSA-N 0 0 437.496 2.906 50 0 IFAARN COCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 ZINC000009199100 556256807 /nfs/dbraw/zinc/25/68/07/556256807.db2.gz QWFZROZEUYVMCE-GFCCVEGCSA-N 0 0 433.921 2.849 50 0 IFAARN CCOc1ccccc1NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)S1(=O)=O ZINC000009224605 556258593 /nfs/dbraw/zinc/25/85/93/556258593.db2.gz SAWIRLAAWBCBSV-UHFFFAOYSA-N 0 0 441.912 2.879 50 0 IFAARN O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009226877 556260620 /nfs/dbraw/zinc/26/06/20/556260620.db2.gz DQPRUUTYNMSENA-UHFFFAOYSA-N 0 0 429.498 2.798 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(O)c(Br)c3)C2=O)cc1 ZINC000009259036 556267286 /nfs/dbraw/zinc/26/72/86/556267286.db2.gz DNAKVIJXVVBZPU-OQLLNIDSSA-N 0 0 430.258 2.995 50 0 IFAARN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000009288716 556273351 /nfs/dbraw/zinc/27/33/51/556273351.db2.gz ISLQNCGHQVXTFC-CABCVRRESA-N 0 0 433.505 2.894 50 0 IFAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2=O)cc1 ZINC000009288780 556273402 /nfs/dbraw/zinc/27/34/02/556273402.db2.gz MVKJCGJYRJREOY-KRWDZBQOSA-N 0 0 437.496 2.549 50 0 IFAARN CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2=O)cc1 ZINC000009288779 556273419 /nfs/dbraw/zinc/27/34/19/556273419.db2.gz MVKJCGJYRJREOY-QGZVFWFLSA-N 0 0 437.496 2.549 50 0 IFAARN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(Cl)cc(Br)c1OC ZINC000009296090 556275248 /nfs/dbraw/zinc/27/52/48/556275248.db2.gz BXJHXNDWYXNFHM-WZUFQYTHSA-N 0 0 433.711 2.684 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1OC ZINC000009301671 556275968 /nfs/dbraw/zinc/27/59/68/556275968.db2.gz UBAZWWASDHTGRZ-UHFFFAOYSA-N 0 0 445.566 2.942 50 0 IFAARN CCOC(=O)N1CCN(C(=O)Cc2csc(-c3cc(OC)c(OC)c(OC)c3)n2)CC1 ZINC000013690452 556279702 /nfs/dbraw/zinc/27/97/02/556279702.db2.gz LMHKLMQSNWJIKT-UHFFFAOYSA-N 0 0 449.529 2.679 50 0 IFAARN COC(=O)C1CCN(C(=O)c2cc3ccccc3nc2C2=NC(=O)[C@@](C)(C(C)C)N2)CC1 ZINC000013690736 556280009 /nfs/dbraw/zinc/28/00/09/556280009.db2.gz NGPSXHZYASGFMT-XMMPIXPASA-N 0 0 436.512 2.551 50 0 IFAARN O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccc3c(c2)OCCO3)N1Cc1cccnc1 ZINC000013692329 556281978 /nfs/dbraw/zinc/28/19/78/556281978.db2.gz XVEUBSIQROLBBH-AUSIDOKSSA-N 0 0 438.505 2.702 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)NCc1ccc2c(c1)OCO2 ZINC000009327598 556282419 /nfs/dbraw/zinc/28/24/19/556282419.db2.gz CGMIRZLYDDJZIY-UHFFFAOYSA-N 0 0 436.855 2.862 50 0 IFAARN CCOC(=O)N1CCN(C(=O)/C(=C/c2ccccc2F)NC(=O)c2ccccc2)CC1 ZINC000009335021 556283141 /nfs/dbraw/zinc/28/31/41/556283141.db2.gz VSHNCRFTAQOGGQ-SILNSSARSA-N 0 0 425.460 2.897 50 0 IFAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000097637764 556283983 /nfs/dbraw/zinc/28/39/83/556283983.db2.gz OGILSLWVJZSOHK-SFTDATJTSA-N 0 0 442.487 2.558 50 0 IFAARN CC[C@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N(c1ccccc1)S(C)(=O)=O ZINC000013711291 556284124 /nfs/dbraw/zinc/28/41/24/556284124.db2.gz SBNATTBOHHNXCI-LJQANCHMSA-N 0 0 442.541 2.668 50 0 IFAARN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 ZINC000013715084 556286769 /nfs/dbraw/zinc/28/67/69/556286769.db2.gz YERMDPLMMXQBQO-IVAOSVALSA-N 0 0 445.475 2.909 50 0 IFAARN O=S1(=O)C[C@@H]2N=C(SCCCOc3ccccc3)N(c3ccc4c(c3)OCO4)[C@H]2C1 ZINC000013720760 556289660 /nfs/dbraw/zinc/28/96/60/556289660.db2.gz QFZOQAOCVZSNJP-ROUUACIJSA-N 0 0 446.550 2.959 50 0 IFAARN CN1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000013728001 556294195 /nfs/dbraw/zinc/29/41/95/556294195.db2.gz REHFIBQZVDEKAI-UHFFFAOYSA-N 0 0 441.509 2.697 50 0 IFAARN CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(C)c1 ZINC000009508531 556295816 /nfs/dbraw/zinc/29/58/16/556295816.db2.gz AFYOIWYGZYYSNV-UHFFFAOYSA-N 0 0 431.543 2.652 50 0 IFAARN CC(C)Oc1cc(S(=O)(=O)N(C)C)ccc1N1CC(=O)N(Cc2ccccc2)C1=O ZINC000013732752 556296508 /nfs/dbraw/zinc/29/65/08/556296508.db2.gz FAQSLRDNAMZNIR-UHFFFAOYSA-N 0 0 431.514 2.693 50 0 IFAARN CCOCCc1nn2c(nc(CSCC(=O)Nc3ccc(OC)cc3)cc2=O)s1 ZINC000009526574 556296982 /nfs/dbraw/zinc/29/69/82/556296982.db2.gz UWPNDMOYHIGAAP-UHFFFAOYSA-N 0 0 434.543 2.611 50 0 IFAARN COc1cc(C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)ccc1OC(C)C ZINC000032741403 556303146 /nfs/dbraw/zinc/30/31/46/556303146.db2.gz XTZSWYABFFBLIR-GOSISDBHSA-N 0 0 449.573 2.928 50 0 IFAARN CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1N1CCOCC1 ZINC000032741874 556303595 /nfs/dbraw/zinc/30/35/95/556303595.db2.gz BSJNKHYWJVWFJC-UHFFFAOYSA-N 0 0 447.561 2.663 50 0 IFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1nc2ccccc2nc1C ZINC000032745247 556314833 /nfs/dbraw/zinc/31/48/33/556314833.db2.gz ZRPPLGNUMCUXPI-OAQYLSRUSA-N 0 0 425.510 2.758 50 0 IFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1nc2ccccc2nc1C ZINC000032745248 556315096 /nfs/dbraw/zinc/31/50/96/556315096.db2.gz ZRPPLGNUMCUXPI-NRFANRHFSA-N 0 0 425.510 2.758 50 0 IFAARN CCC(C)(C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O ZINC000032745382 556315390 /nfs/dbraw/zinc/31/53/90/556315390.db2.gz IYTQFPLILYRCHW-LLVKDONJSA-N 0 0 442.379 2.937 50 0 IFAARN CC(C)[C@H](C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O ZINC000032747215 556315580 /nfs/dbraw/zinc/31/55/80/556315580.db2.gz JTCVCGMDEXGBHA-LJQANCHMSA-N 0 0 439.855 2.712 50 0 IFAARN CC(C)[C@@H](C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O ZINC000032747213 556315612 /nfs/dbraw/zinc/31/56/12/556315612.db2.gz JTCVCGMDEXGBHA-IBGZPJMESA-N 0 0 439.855 2.712 50 0 IFAARN CCc1nnc(NC(=O)c2ccccc2NC(=O)CS(=O)(=O)Cc2ccccc2)s1 ZINC000013838937 556317299 /nfs/dbraw/zinc/31/72/99/556317299.db2.gz HEMDWECUTFWLLN-UHFFFAOYSA-N 0 0 444.538 2.906 50 0 IFAARN CCOc1ccc(NC(=O)Cn2c3ccc(Br)cc3c(=O)n(CC)c2=O)cc1 ZINC000009935463 556318664 /nfs/dbraw/zinc/31/86/64/556318664.db2.gz OTUIFBJPIFBPNW-UHFFFAOYSA-N 0 0 446.301 2.983 50 0 IFAARN O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000032760436 556320577 /nfs/dbraw/zinc/32/05/77/556320577.db2.gz NCDXLEOALXLVBT-FQEVSTJZSA-N 0 0 425.916 2.929 50 0 IFAARN CCc1sc(C(=O)NCC(=O)Nc2nc(C)c(C3N=NC(=S)N3C)s2)cc1C ZINC000032760399 556320599 /nfs/dbraw/zinc/32/05/99/556320599.db2.gz BQUAGOIXGCVTHE-UHFFFAOYSA-N 0 0 436.588 2.837 50 0 IFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000032760558 556320718 /nfs/dbraw/zinc/32/07/18/556320718.db2.gz KSFDLAIXTAGJNC-XMSQKQJNSA-N 0 0 448.571 2.939 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000032760560 556320773 /nfs/dbraw/zinc/32/07/73/556320773.db2.gz KSFDLAIXTAGJNC-AVRDEDQJSA-N 0 0 448.571 2.939 50 0 IFAARN COCCNC(=O)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 ZINC000010012625 556322333 /nfs/dbraw/zinc/32/23/33/556322333.db2.gz HFMQQBCBWBANAP-UHFFFAOYSA-N 0 0 425.510 2.853 50 0 IFAARN Cc1nn([C@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(C)c1Cl ZINC000010233282 556328325 /nfs/dbraw/zinc/32/83/25/556328325.db2.gz AOBAPUJDCGUCGA-OAHLLOKOSA-N 0 0 438.981 2.946 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000010273861 556329059 /nfs/dbraw/zinc/32/90/59/556329059.db2.gz BCHMVCGNSNFDGQ-UHFFFAOYSA-N 0 0 432.436 2.597 50 0 IFAARN CCOc1cc([C@@H]2c3c(-c4ccc(OC)cc4)n[nH]c(=O)c3Nc3nnnn32)ccc1O ZINC000010295571 556329672 /nfs/dbraw/zinc/32/96/72/556329672.db2.gz HRUITNRAKISRKM-LJQANCHMSA-N 0 0 433.428 2.643 50 0 IFAARN COc1cccc([C@@H]2c3c(-c4ccc(OC)c(OC)c4)n[nH]c(=O)c3Nc3nnnn32)c1 ZINC000010297104 556330131 /nfs/dbraw/zinc/33/01/31/556330131.db2.gz WZKIVBSPRABQEO-LJQANCHMSA-N 0 0 433.428 2.556 50 0 IFAARN COc1cc(Br)c(CCNC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1OC ZINC000032777502 556330481 /nfs/dbraw/zinc/33/04/81/556330481.db2.gz CQBAFOZYOCEWBL-OAHLLOKOSA-N 0 0 449.349 2.832 50 0 IFAARN O=C1SC(=Cc2ccccc2F)C(=O)N1CCNC1=NS(=O)(=O)c2ccccc21 ZINC000013899406 556330954 /nfs/dbraw/zinc/33/09/54/556330954.db2.gz YOUWTESXHCRIJV-PTNGSMBKSA-N 0 0 431.470 2.601 50 0 IFAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000032768267 556333250 /nfs/dbraw/zinc/33/32/50/556333250.db2.gz GDIOAMMJSSURCZ-SFHVURJKSA-N 0 0 434.508 2.633 50 0 IFAARN CS(=O)(=O)N1CCC(NC(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000032771089 556334775 /nfs/dbraw/zinc/33/47/75/556334775.db2.gz KBYFSLXTOYMSJJ-UHFFFAOYSA-N 0 0 429.380 2.801 50 0 IFAARN COc1ccc([C@@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c(OC)c1 ZINC000032774349 556336655 /nfs/dbraw/zinc/33/66/55/556336655.db2.gz FBJHJQIPOFUITH-FQEVSTJZSA-N 0 0 429.492 2.888 50 0 IFAARN Cc1cccc(Cn2c3nnc(-c4c(F)cccc4Cl)n3c3c2c(=O)[nH]c(=O)n3C)c1 ZINC000010965143 556338177 /nfs/dbraw/zinc/33/81/77/556338177.db2.gz TZXMVVZKNPSUHG-UHFFFAOYSA-N 0 0 438.850 2.887 50 0 IFAARN O=C(CCC(=O)Nc1ccc(OCCc2ccccc2)cc1)NCCCN1CCOCC1 ZINC000013942442 556339696 /nfs/dbraw/zinc/33/96/96/556339696.db2.gz VWUMSMZGGZDPEO-UHFFFAOYSA-N 0 0 439.556 2.865 50 0 IFAARN CCOCCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 ZINC000013944955 556342306 /nfs/dbraw/zinc/34/23/06/556342306.db2.gz QNSONDYNNXSLTI-CQSZACIVSA-N 0 0 445.520 2.767 50 0 IFAARN CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)C(=O)CC(C)C)CC1)c1ccccc1 ZINC000011661510 556343053 /nfs/dbraw/zinc/34/30/53/556343053.db2.gz GPCSTXZHLZICGP-OAQYLSRUSA-N 0 0 426.517 2.988 50 0 IFAARN CC1=C(C(=O)N2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)OCCO1 ZINC000011665185 556345605 /nfs/dbraw/zinc/34/56/05/556345605.db2.gz PJVLUTUNVXCWBS-UHFFFAOYSA-N 0 0 437.496 2.660 50 0 IFAARN COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@@H]2CCNC(C)=O)c1 ZINC000011758966 556349387 /nfs/dbraw/zinc/34/93/87/556349387.db2.gz BDZCHRNQOZPSHU-LJQANCHMSA-N 0 0 445.560 2.606 50 0 IFAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000032787121 556350081 /nfs/dbraw/zinc/35/00/81/556350081.db2.gz JVVQYCHAVNYPNJ-MRXNPFEDSA-N 0 0 439.559 2.970 50 0 IFAARN COc1cc(C[C@@]2(CCC(=O)NCCCOc3cccnc3)CCC(=O)N2)ccc1F ZINC000011785628 556353135 /nfs/dbraw/zinc/35/31/35/556353135.db2.gz NXLWQEVHHZDGQF-HSZRJFAPSA-N 0 0 429.492 2.786 50 0 IFAARN CCN(C[C@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000011786356 556353467 /nfs/dbraw/zinc/35/34/67/556353467.db2.gz MXVSVYBLWLOAPC-GJZUVCINSA-N 0 0 449.551 2.739 50 0 IFAARN COc1ccc(N(C(C)=O)C2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000014010947 556354841 /nfs/dbraw/zinc/35/48/41/556354841.db2.gz IISKVXNHYKMVPE-JOCHJYFZSA-N 0 0 439.487 2.984 50 0 IFAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000014013729 556355220 /nfs/dbraw/zinc/35/52/20/556355220.db2.gz ICBLDBUWFBKEJA-IYBDPMFKSA-N 0 0 447.532 2.636 50 0 IFAARN COCCCN1C(=O)C[C@](CC(=O)N(C)Cc2ccccn2)(c2ccccc2Cl)C1=O ZINC000011790909 556355705 /nfs/dbraw/zinc/35/57/05/556355705.db2.gz WDGMIOCCGWLRHE-HSZRJFAPSA-N 0 0 443.931 2.817 50 0 IFAARN CCC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)C1 ZINC000011791316 556356063 /nfs/dbraw/zinc/35/60/63/556356063.db2.gz OGUGCHVWEFRTSG-FQRUVTKNSA-N 0 0 447.535 2.886 50 0 IFAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)Cn2cccn2)cc1OCC1(C)COC1 ZINC000011813598 556356753 /nfs/dbraw/zinc/35/67/53/556356753.db2.gz MARCUQXNNGRECL-IBGZPJMESA-N 0 0 429.517 2.515 50 0 IFAARN CCCN(CC1CC1)C(=O)C[C@@]1(c2ccccc2OC)CC(=O)N(CCCOC)C1=O ZINC000011814358 556357668 /nfs/dbraw/zinc/35/76/68/556357668.db2.gz CHEUQHFNWPUPBZ-DEOSSOPVSA-N 0 0 430.545 2.767 50 0 IFAARN CCc1nccn1CCC(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000011817714 556359998 /nfs/dbraw/zinc/35/99/98/556359998.db2.gz BCQWTNUIEHDIRT-FQEVSTJZSA-N 0 0 425.577 2.951 50 0 IFAARN CSc1nc(C)c(CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)n1 ZINC000014071165 556361188 /nfs/dbraw/zinc/36/11/88/556361188.db2.gz CLQWAYUSRFYCGM-UHFFFAOYSA-N 0 0 428.558 2.821 50 0 IFAARN CCN(C(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000032797217 556363516 /nfs/dbraw/zinc/36/35/16/556363516.db2.gz JACBJQUJVSKVKD-RDJZCZTQSA-N 0 0 435.615 2.900 50 0 IFAARN O=C(c1cccs1)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000014083782 556363595 /nfs/dbraw/zinc/36/35/95/556363595.db2.gz FIDDACFBSFTYIC-UHFFFAOYSA-N 0 0 439.581 2.880 50 0 IFAARN CCOc1ccccc1N1CCN(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC000032803078 556365365 /nfs/dbraw/zinc/36/53/65/556365365.db2.gz OKMBIHPIQFZATI-UHFFFAOYSA-N 0 0 428.508 2.794 50 0 IFAARN O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)NCc1cccs1 ZINC000014109004 556368795 /nfs/dbraw/zinc/36/87/95/556368795.db2.gz YZPUICMOXCLLFC-UHFFFAOYSA-N 0 0 429.571 2.633 50 0 IFAARN CCCc1cc(C(=O)N2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)n(C)n1 ZINC000011872361 556368917 /nfs/dbraw/zinc/36/89/17/556368917.db2.gz WFMOIYCFCPZRPB-JOCHJYFZSA-N 0 0 443.573 2.797 50 0 IFAARN O=C(COc1ccc(N2CCN(c3ccccn3)CC2)nn1)N[C@H]1CCCc2ccccc21 ZINC000011872033 556369057 /nfs/dbraw/zinc/36/90/57/556369057.db2.gz UJXHNXHPVXAMGX-NRFANRHFSA-N 0 0 444.539 2.771 50 0 IFAARN C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O ZINC000014116504 556370877 /nfs/dbraw/zinc/37/08/77/556370877.db2.gz UVSYSZJTESFEBM-LJQANCHMSA-N 0 0 428.905 2.875 50 0 IFAARN C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O ZINC000014116498 556370891 /nfs/dbraw/zinc/37/08/91/556370891.db2.gz UVSYSZJTESFEBM-IBGZPJMESA-N 0 0 428.905 2.875 50 0 IFAARN CC(=O)N1CCN(C(=O)CCC(=O)N2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000014121952 556372295 /nfs/dbraw/zinc/37/22/95/556372295.db2.gz MHZJASHMNBQGSM-NRFANRHFSA-N 0 0 431.583 2.755 50 0 IFAARN COc1cccc(CN2C(=O)N[C@@](C)(C3CCN(C(=O)CC(C)C)CC3)C2=O)c1OC ZINC000011880443 556372486 /nfs/dbraw/zinc/37/24/86/556372486.db2.gz UKGCPWAIMJTDHR-QHCPKHFHSA-N 0 0 431.533 2.799 50 0 IFAARN CC1=C(C(=O)N2CCOCC2)[C@H](c2cc(Br)cs2)NC(=O)N1C1CC1 ZINC000014123797 556372760 /nfs/dbraw/zinc/37/27/60/556372760.db2.gz JVEUBBBVHHAICY-HNNXBMFYSA-N 0 0 426.336 2.872 50 0 IFAARN NC(=O)[C@H]1CCCN(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)C1 ZINC000014129095 556374168 /nfs/dbraw/zinc/37/41/68/556374168.db2.gz WSSJQJQCQNZLHL-ZDUSSCGKSA-N 0 0 449.964 2.661 50 0 IFAARN Cc1ccccc1[C@]1(CC(=O)N2CCCC[C@@H]2CO)CC(=O)N(Cc2ccccc2)C1=O ZINC000011909149 556374371 /nfs/dbraw/zinc/37/43/71/556374371.db2.gz QYPRADZMHSPECT-RLWLMLJZSA-N 0 0 434.536 2.955 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000014135111 556374773 /nfs/dbraw/zinc/37/47/73/556374773.db2.gz RUIOXAHEXNVVPB-UHFFFAOYSA-N 0 0 442.965 2.930 50 0 IFAARN CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCc2nc3cc(Cl)ccc3[nH]2)c1=O ZINC000011910888 556374949 /nfs/dbraw/zinc/37/49/49/556374949.db2.gz PRDJGQAKGYALKD-UHFFFAOYSA-N 0 0 443.935 2.756 50 0 IFAARN COc1ccc(-c2nonc2NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1OC ZINC000011915118 556376120 /nfs/dbraw/zinc/37/61/20/556376120.db2.gz AXJQFQDCRCHLRB-UHFFFAOYSA-N 0 0 437.387 2.691 50 0 IFAARN O=C([C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)C(=O)C1 ZINC000011934171 556377562 /nfs/dbraw/zinc/37/75/62/556377562.db2.gz MVUCUHVKXWJKMV-GOSISDBHSA-N 0 0 425.916 2.954 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)c(Cl)c1 ZINC000014155455 556377519 /nfs/dbraw/zinc/37/75/19/556377519.db2.gz IRNFMFQQWVLHSK-UHFFFAOYSA-N 0 0 439.940 2.590 50 0 IFAARN CN(Cc1nccn1C)C(=O)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 ZINC000011936515 556378762 /nfs/dbraw/zinc/37/87/62/556378762.db2.gz RDAHGRRGSMEZFY-UHFFFAOYSA-N 0 0 433.512 2.771 50 0 IFAARN C[C@@H](Cn1cncn1)NC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000011947307 556380431 /nfs/dbraw/zinc/38/04/31/556380431.db2.gz MFKOVKOTNMOEGM-KRWDZBQOSA-N 0 0 431.544 2.645 50 0 IFAARN CCN(Cc1ccc(Br)s1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000014181468 556382446 /nfs/dbraw/zinc/38/24/46/556382446.db2.gz YHOTTWDMVHWSRX-UHFFFAOYSA-N 0 0 443.344 2.704 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2)C[C@H](C)O1 ZINC000014183735 556383805 /nfs/dbraw/zinc/38/38/05/556383805.db2.gz MKOKGBWIPUKIPW-GQIGUUNPSA-N 0 0 430.526 2.738 50 0 IFAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)N(Cc3ccco3)Cc3ccccc3)C2=O)cc1 ZINC000014184791 556384743 /nfs/dbraw/zinc/38/47/43/556384743.db2.gz OTFYEYFTOGVWQN-UHFFFAOYSA-N 0 0 447.447 2.812 50 0 IFAARN Cc1cc(C(=O)NCc2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)n(C)n1 ZINC000012034540 556389241 /nfs/dbraw/zinc/38/92/41/556389241.db2.gz XLONWRXCLJGCAC-QGZVFWFLSA-N 0 0 426.546 2.569 50 0 IFAARN COc1ccc(-c2nc(SCC(=O)NCC(=O)Nc3ccc(F)c(F)c3)n[nH]2)cc1 ZINC000014198502 556389675 /nfs/dbraw/zinc/38/96/75/556389675.db2.gz AXQUNEAXKCOOFU-UHFFFAOYSA-N 0 0 433.440 2.606 50 0 IFAARN O=C(CCSc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014201306 556391693 /nfs/dbraw/zinc/39/16/93/556391693.db2.gz INKMVQATNLUKSP-UHFFFAOYSA-N 0 0 426.510 2.980 50 0 IFAARN COCCCN1C(=O)C[C@](CC(=O)N(C)C(C2CC2)C2CC2)(c2ccccc2OC)C1=O ZINC000012052788 556392709 /nfs/dbraw/zinc/39/27/09/556392709.db2.gz OGFVQSCZUOUMBT-RUZDIDTESA-N 0 0 442.556 2.766 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)cc1 ZINC000014226800 556395172 /nfs/dbraw/zinc/39/51/72/556395172.db2.gz WJYGRIYQYXLKSH-UHFFFAOYSA-N 0 0 427.482 2.647 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(Cn3nc4nc(C)cc(C)n4c3=S)CC2)cc1 ZINC000014234480 556398818 /nfs/dbraw/zinc/39/88/18/556398818.db2.gz ZKBDTTBYPIDNFF-UHFFFAOYSA-N 0 0 446.602 2.540 50 0 IFAARN C[C@@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000014242198 556402670 /nfs/dbraw/zinc/40/26/70/556402670.db2.gz HZXFTRMLWJWNDX-HWPZZCPQSA-N 0 0 439.453 2.871 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000014246378 556406358 /nfs/dbraw/zinc/40/63/58/556406358.db2.gz JUXVSGAJECDFAY-GOSISDBHSA-N 0 0 436.917 2.767 50 0 IFAARN CNC(=O)c1ccc(CN(C)Cn2nc([C@@H]3COc4ccccc4O3)n(C)c2=S)cc1 ZINC000014246920 556406870 /nfs/dbraw/zinc/40/68/70/556406870.db2.gz QWRQMLZUIBZYDU-IBGZPJMESA-N 0 0 439.541 2.913 50 0 IFAARN COc1ccc(COC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cc1OC ZINC000014247489 556407147 /nfs/dbraw/zinc/40/71/47/556407147.db2.gz GVIYQPKSQZBMAB-MRXNPFEDSA-N 0 0 444.509 2.608 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)CC1 ZINC000014247852 556407524 /nfs/dbraw/zinc/40/75/24/556407524.db2.gz TVNHYDMPLKGGJT-ZDUSSCGKSA-N 0 0 438.481 2.742 50 0 IFAARN CC(C)c1ccccc1OC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000014249328 556408048 /nfs/dbraw/zinc/40/80/48/556408048.db2.gz OSMWXXFPRCRHQN-LJQANCHMSA-N 0 0 436.549 2.695 50 0 IFAARN CC(C)c1ccccc1OC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000014249326 556408054 /nfs/dbraw/zinc/40/80/54/556408054.db2.gz OSMWXXFPRCRHQN-IBGZPJMESA-N 0 0 436.549 2.695 50 0 IFAARN CC(=O)c1cc(Br)ccc1OC(=O)c1nc(S(C)(=O)=O)ncc1Cl ZINC000032623829 556411014 /nfs/dbraw/zinc/41/10/14/556411014.db2.gz LGTBTPSAXWMGFG-UHFFFAOYSA-N 0 0 433.667 2.718 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(NC(=O)C1CCN(c3nc4ccccc4o3)CC1)C2=O ZINC000014281020 556411724 /nfs/dbraw/zinc/41/17/24/556411724.db2.gz ZHLWTZOXJHFMQB-UHFFFAOYSA-N 0 0 425.489 2.576 50 0 IFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCc3ccccc3)cc2)C1 ZINC000014361117 556414767 /nfs/dbraw/zinc/41/47/67/556414767.db2.gz KHRLHJCZIPRTPL-ROUUACIJSA-N 0 0 444.553 2.826 50 0 IFAARN CCCn1c2ccccc2n(CCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1=O ZINC000014372245 556415010 /nfs/dbraw/zinc/41/50/10/556415010.db2.gz RIRNLAMKWBDXFF-UHFFFAOYSA-N 0 0 425.514 2.560 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cccnc2Oc2ccccc2)NC(=O)N[C@@H]1CC ZINC000032666191 556417648 /nfs/dbraw/zinc/41/76/48/556417648.db2.gz BGWNDRQHPHMGCX-MRXNPFEDSA-N 0 0 425.441 2.939 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC(F)(F)F)s1)c1ccco1 ZINC000032833942 556417885 /nfs/dbraw/zinc/41/78/85/556417885.db2.gz YTDXBXIGVXYSSY-SECBINFHSA-N 0 0 433.433 2.787 50 0 IFAARN CCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(-c3csc(C)n3)s2)CC1 ZINC000032837339 556418792 /nfs/dbraw/zinc/41/87/92/556418792.db2.gz HRYCRPLQOCDERP-UHFFFAOYSA-N 0 0 427.617 2.900 50 0 IFAARN O=C(C1CC1)N1CCN(c2cnn(CCOc3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000032837525 556418802 /nfs/dbraw/zinc/41/88/02/556418802.db2.gz OIANYYGBVVTCCV-UHFFFAOYSA-N 0 0 437.327 2.688 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1 ZINC000012971539 556418835 /nfs/dbraw/zinc/41/88/35/556418835.db2.gz HODMURLLOGBSAI-INIZCTEOSA-N 0 0 430.526 2.951 50 0 IFAARN O=C(c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012971339 556418854 /nfs/dbraw/zinc/41/88/54/556418854.db2.gz OLPUAROBJGZJSI-UHFFFAOYSA-N 0 0 436.917 2.648 50 0 IFAARN CC(C)C(=O)N1CCN(C(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)CC1 ZINC000012971878 556419128 /nfs/dbraw/zinc/41/91/28/556419128.db2.gz KJKSLCHVKBRURR-UHFFFAOYSA-N 0 0 442.516 2.591 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)c(C)c1 ZINC000012973179 556419669 /nfs/dbraw/zinc/41/96/69/556419669.db2.gz RZFDFQWVFUHMJU-FQEVSTJZSA-N 0 0 428.554 2.696 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000012974690 556420571 /nfs/dbraw/zinc/42/05/71/556420571.db2.gz ORTJNMTVXBFHLR-UHFFFAOYSA-N 0 0 434.481 2.740 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCC(c4nncn4C)CC3)cc2)C1 ZINC000012974905 556420864 /nfs/dbraw/zinc/42/08/64/556420864.db2.gz ZASDJSLJQUOPFC-CALCHBBNSA-N 0 0 445.589 2.502 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCC(c4nncn4C)CC3)cc2)C1 ZINC000012974903 556420884 /nfs/dbraw/zinc/42/08/84/556420884.db2.gz ZASDJSLJQUOPFC-IAGOWNOFSA-N 0 0 445.589 2.502 50 0 IFAARN O=C(Nc1ccc(Cl)cc1)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N2C1 ZINC000014532896 556421663 /nfs/dbraw/zinc/42/16/63/556421663.db2.gz WFUIXDVLTHSWAA-BZSNNMDCSA-N 0 0 447.322 2.826 50 0 IFAARN CCn1nc(C)cc1C(=O)N1CC(=O)N(CC(C)C)C[C@H](OCc2ccccc2F)C1 ZINC000014533469 556421891 /nfs/dbraw/zinc/42/18/91/556421891.db2.gz BPDXTODPSIZKIO-IBGZPJMESA-N 0 0 430.524 2.876 50 0 IFAARN COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)CN(C(=O)Cc3cccnc3)C2)c1 ZINC000014534743 556422709 /nfs/dbraw/zinc/42/27/09/556422709.db2.gz FKFQNVPEWKCEBK-JOCHJYFZSA-N 0 0 425.529 2.545 50 0 IFAARN COc1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1S(=O)(=O)N1CCOCC1 ZINC000012978683 556423359 /nfs/dbraw/zinc/42/33/59/556423359.db2.gz IHSJQDBUHICHRI-UHFFFAOYSA-N 0 0 433.530 2.722 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O ZINC000012981891 556424800 /nfs/dbraw/zinc/42/48/00/556424800.db2.gz KNXYHSYCDIEOKZ-NRFANRHFSA-N 0 0 430.844 2.850 50 0 IFAARN Cc1ccoc1C(=O)N1CC(=O)N(Cc2csc(C)n2)C[C@@H](OCc2ccccn2)C1 ZINC000014540469 556425220 /nfs/dbraw/zinc/42/52/20/556425220.db2.gz UCFLFUMSWAGCGI-LJQANCHMSA-N 0 0 440.525 2.818 50 0 IFAARN O=C(NC1CC1)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000012983580 556425640 /nfs/dbraw/zinc/42/56/40/556425640.db2.gz MGQKSBJKXMNTGI-UHFFFAOYSA-N 0 0 445.516 2.757 50 0 IFAARN CCn1nc(C)cc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccncc2)C1 ZINC000014541788 556425822 /nfs/dbraw/zinc/42/58/22/556425822.db2.gz UCMODPGUGKCIPU-NRFANRHFSA-N 0 0 439.560 2.809 50 0 IFAARN Cc1ccccc1NC(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000012986270 556426822 /nfs/dbraw/zinc/42/68/22/556426822.db2.gz KBZRPADMVNOAFN-UHFFFAOYSA-N 0 0 429.498 2.716 50 0 IFAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cnn1-c1ccccc1 ZINC000012986563 556427106 /nfs/dbraw/zinc/42/71/06/556427106.db2.gz JESNIOAOLQNSKD-UHFFFAOYSA-N 0 0 438.553 2.944 50 0 IFAARN CCc1ccccc1N1C[C@@H](C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)CC1=O ZINC000032842064 556427699 /nfs/dbraw/zinc/42/76/99/556427699.db2.gz XCXJRDQFJYWFDQ-AWEZNQCLSA-N 0 0 431.418 2.980 50 0 IFAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012991764 556428649 /nfs/dbraw/zinc/42/86/49/556428649.db2.gz LMTVTNAWAOQSGK-UHFFFAOYSA-N 0 0 430.526 2.517 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccc(Br)c1)c1ccccc1 ZINC000032843439 556428767 /nfs/dbraw/zinc/42/87/67/556428767.db2.gz DOPGNSDRLDKRBY-SFHVURJKSA-N 0 0 427.302 2.818 50 0 IFAARN C[C@@H](NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000012993897 556429752 /nfs/dbraw/zinc/42/97/52/556429752.db2.gz RIVXAKHPXFTTFQ-MRXNPFEDSA-N 0 0 437.512 2.539 50 0 IFAARN Cc1cc2ncnn2c(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000032853416 556431793 /nfs/dbraw/zinc/43/17/93/556431793.db2.gz UUMUQNKFRUIXJG-UHFFFAOYSA-N 0 0 425.436 2.567 50 0 IFAARN Cc1ccc(NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)cc1 ZINC000012998236 556432177 /nfs/dbraw/zinc/43/21/77/556432177.db2.gz LBYGKZJIGPSAFI-UHFFFAOYSA-N 0 0 429.498 2.716 50 0 IFAARN Nc1nc(COC(=O)[C@@H]2CCCN2C(=O)c2ccco2)nc(Nc2ccc(Cl)cc2)n1 ZINC000032854388 556432294 /nfs/dbraw/zinc/43/22/94/556432294.db2.gz OOXZOIMGFSMSIN-AWEZNQCLSA-N 0 0 442.863 2.792 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc2)C1 ZINC000012999213 556432669 /nfs/dbraw/zinc/43/26/69/556432669.db2.gz MBXDQUFQHXPZMD-IYBDPMFKSA-N 0 0 440.529 2.581 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000013000048 556432860 /nfs/dbraw/zinc/43/28/60/556432860.db2.gz BPLHOOSCYCIZIK-RDJZCZTQSA-N 0 0 430.888 2.602 50 0 IFAARN O=C(COc1ccc(N2CCCC2=O)cc1)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000032854775 556432900 /nfs/dbraw/zinc/43/29/00/556432900.db2.gz FBWYASZUTGNPIN-UHFFFAOYSA-N 0 0 430.888 2.976 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)Nc1cccc(N2CCCC2=O)c1 ZINC000032856052 556433405 /nfs/dbraw/zinc/43/34/05/556433405.db2.gz ZAGXJJWCLFHOLL-VWLOTQADSA-N 0 0 446.507 2.926 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c1 ZINC000032856017 556433432 /nfs/dbraw/zinc/43/34/32/556433432.db2.gz QWXKFDCCKWQPQB-KRWDZBQOSA-N 0 0 439.555 2.852 50 0 IFAARN COc1ccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC000013002513 556433854 /nfs/dbraw/zinc/43/38/54/556433854.db2.gz QUSFOQFLWOTENE-INIZCTEOSA-N 0 0 429.904 2.794 50 0 IFAARN CCn1c(=O)c2sccc2nc1SCC(=O)N1CCN(c2ccccc2OC)CC1 ZINC000027835208 556433944 /nfs/dbraw/zinc/43/39/44/556433944.db2.gz ACVCSMRQHFJYLL-UHFFFAOYSA-N 0 0 444.582 2.927 50 0 IFAARN CCOc1cc(C(=O)OCc2ccc(OC)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000014704887 556434522 /nfs/dbraw/zinc/43/45/22/556434522.db2.gz NQFUBGJRXNUIKC-UHFFFAOYSA-N 0 0 429.469 2.689 50 0 IFAARN C[C@@H](NC(=O)CSc1nnnn1CCc1cccs1)c1ccc2c(c1)OCCO2 ZINC000032858479 556434837 /nfs/dbraw/zinc/43/48/37/556434837.db2.gz JVEZSPXBEIICPY-CYBMUJFWSA-N 0 0 431.543 2.718 50 0 IFAARN NC(=O)c1ccsc1NC(=O)CCN1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000027898824 556434900 /nfs/dbraw/zinc/43/49/00/556434900.db2.gz WVGFBFCISMKJKU-UHFFFAOYSA-N 0 0 436.537 2.787 50 0 IFAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)no1 ZINC000014706663 556435143 /nfs/dbraw/zinc/43/51/43/556435143.db2.gz ANHVOQLFQWIRGC-UHFFFAOYSA-N 0 0 430.486 2.896 50 0 IFAARN Cn1ncc2c1ncnc2N1CCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1 ZINC000014731139 556436824 /nfs/dbraw/zinc/43/68/24/556436824.db2.gz GFKWQMNSDILBNU-UHFFFAOYSA-N 0 0 446.511 2.716 50 0 IFAARN O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1)c1ccc(-c2ccccc2)cc1 ZINC000014732686 556437054 /nfs/dbraw/zinc/43/70/54/556437054.db2.gz VXUWXFJJQMWCIE-VXNXHJTFSA-N 0 0 439.515 2.794 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000013018476 556439401 /nfs/dbraw/zinc/43/94/01/556439401.db2.gz RAJDBHAJUPISRG-BZQUYTCOSA-N 0 0 446.507 2.706 50 0 IFAARN CCn1cc(CN2CC(=O)N(C(C)C)C[C@@H](OCc3cc(OC)cc(OC)c3)C2)c(C)n1 ZINC000014745078 556440703 /nfs/dbraw/zinc/44/07/03/556440703.db2.gz ZPPVEEIDIUPWSE-QHCPKHFHSA-N 0 0 444.576 2.867 50 0 IFAARN O=C(Oc1cccc2ccccc21)N1CCN2C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]2C1 ZINC000014746131 556441130 /nfs/dbraw/zinc/44/11/30/556441130.db2.gz WNKHUGMNQDMUBU-NHCUHLMSSA-N 0 0 429.476 2.593 50 0 IFAARN Cc1ccc(CN2CC(=O)N(CCCN3CCCC3=O)C[C@@H](OCc3ccccc3)C2)o1 ZINC000014746907 556441453 /nfs/dbraw/zinc/44/14/53/556441453.db2.gz XAUANTOKXIKWPJ-QHCPKHFHSA-N 0 0 439.556 2.830 50 0 IFAARN Cc1cc(-c2ccccc2)nc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1 ZINC000028031237 556442352 /nfs/dbraw/zinc/44/23/52/556442352.db2.gz ZRVYHZKLOUAJME-UHFFFAOYSA-N 0 0 425.514 2.830 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1 ZINC000013031594 556442913 /nfs/dbraw/zinc/44/29/13/556442913.db2.gz KHDNHXRVTLMNDV-KRWDZBQOSA-N 0 0 426.542 2.607 50 0 IFAARN COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000028058293 556443331 /nfs/dbraw/zinc/44/33/31/556443331.db2.gz LRSLGQOADWXHNC-KRWDZBQOSA-N 0 0 427.519 2.521 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1 ZINC000013040718 556446560 /nfs/dbraw/zinc/44/65/60/556446560.db2.gz DYPKFMRHPKHXEX-KRWDZBQOSA-N 0 0 429.542 2.531 50 0 IFAARN CCCCn1cnc2c1c(=O)n(CC(=O)N[C@H]1CCCc3ccccc31)c(=O)n2CCC ZINC000013040924 556446902 /nfs/dbraw/zinc/44/69/02/556446902.db2.gz MFPGGZDJKPDMDW-IBGZPJMESA-N 0 0 437.544 2.764 50 0 IFAARN CCCCn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCCc3ccccc31)c(=O)n2CCC ZINC000013040923 556446940 /nfs/dbraw/zinc/44/69/40/556446940.db2.gz MFPGGZDJKPDMDW-LJQANCHMSA-N 0 0 437.544 2.764 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000072272845 556447170 /nfs/dbraw/zinc/44/71/70/556447170.db2.gz OLMJXEVIQAJJJR-BXWFABGCSA-N 0 0 438.981 2.901 50 0 IFAARN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(C(=O)OCC)c1 ZINC000013041603 556447868 /nfs/dbraw/zinc/44/78/68/556447868.db2.gz RDLSNMHLSIVYQP-UHFFFAOYSA-N 0 0 434.470 2.799 50 0 IFAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000032863099 556448158 /nfs/dbraw/zinc/44/81/58/556448158.db2.gz BXDSZUQZJPYNIE-INIZCTEOSA-N 0 0 447.557 2.846 50 0 IFAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000032863101 556448267 /nfs/dbraw/zinc/44/82/67/556448267.db2.gz BXDSZUQZJPYNIE-MRXNPFEDSA-N 0 0 447.557 2.846 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000032863079 556448304 /nfs/dbraw/zinc/44/83/04/556448304.db2.gz QRBVRAVZAFHIIF-QGZVFWFLSA-N 0 0 445.541 2.543 50 0 IFAARN COc1cc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)ccc1OC(F)F ZINC000013042517 556448531 /nfs/dbraw/zinc/44/85/31/556448531.db2.gz WGBKQMANWMVZMP-UHFFFAOYSA-N 0 0 440.374 2.690 50 0 IFAARN COc1ccc(CN(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC000013058817 556449812 /nfs/dbraw/zinc/44/98/12/556449812.db2.gz CIZFFBNPKBCLIQ-UHFFFAOYSA-N 0 0 425.938 2.669 50 0 IFAARN O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000032865715 556451101 /nfs/dbraw/zinc/45/11/01/556451101.db2.gz MHCLQOULBVLNDS-UHFFFAOYSA-N 0 0 432.586 2.930 50 0 IFAARN CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)CC1 ZINC000032865912 556451415 /nfs/dbraw/zinc/45/14/15/556451415.db2.gz OKOUDRIZMRXKJA-QGZVFWFLSA-N 0 0 433.574 2.683 50 0 IFAARN CCN(CC(=O)NC(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000014868279 556451823 /nfs/dbraw/zinc/45/18/23/556451823.db2.gz NNSQYILSTWWHMH-UHFFFAOYSA-N 0 0 445.585 2.614 50 0 IFAARN O=S(=O)(c1ccccc1)N1CCN(Cn2ncn(-c3ccccc3F)c2=S)CC1 ZINC000013063570 556452280 /nfs/dbraw/zinc/45/22/80/556452280.db2.gz PZNRILIPOQNWLE-UHFFFAOYSA-N 0 0 433.534 2.506 50 0 IFAARN Cc1ccn(CCC(=O)NC[C@H]2Cc3cccc(-c4ccc(S(C)(=O)=O)cc4)c3O2)n1 ZINC000014881725 556453854 /nfs/dbraw/zinc/45/38/54/556453854.db2.gz CJVXDEPJALRZAW-LJQANCHMSA-N 0 0 439.537 2.772 50 0 IFAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 ZINC000028414346 556453986 /nfs/dbraw/zinc/45/39/86/556453986.db2.gz CUOQFNIBQABCJN-UHFFFAOYSA-N 0 0 437.468 2.841 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nn3cc(-c4ccccc4)nc3s2)c1 ZINC000013072493 556453978 /nfs/dbraw/zinc/45/39/78/556453978.db2.gz PENZHGYUGYXTDP-UHFFFAOYSA-N 0 0 427.511 2.960 50 0 IFAARN O=S(=O)(Cc1ccccc1)N1CCN(Cn2ncn(-c3ccccc3)c2=S)CC1 ZINC000013073131 556454380 /nfs/dbraw/zinc/45/43/80/556454380.db2.gz CCAYUIZOYUYYDA-UHFFFAOYSA-N 0 0 429.571 2.508 50 0 IFAARN O=C(NCCc1cccc(Cl)c1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(F)cc1 ZINC000014884273 556454654 /nfs/dbraw/zinc/45/46/54/556454654.db2.gz YNZMFBOSBIYHHH-UXHICEINSA-N 0 0 428.899 2.640 50 0 IFAARN CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000013075436 556455258 /nfs/dbraw/zinc/45/52/58/556455258.db2.gz PLMLFDNTFWGOJH-MRXNPFEDSA-N 0 0 446.525 2.663 50 0 IFAARN O=C(c1cccc2ccccc21)N1CCC[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000028645717 556458017 /nfs/dbraw/zinc/45/80/17/556458017.db2.gz DJERBQXDUZIDHB-FQEVSTJZSA-N 0 0 429.524 2.831 50 0 IFAARN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cn1 ZINC000013098723 556459250 /nfs/dbraw/zinc/45/92/50/556459250.db2.gz ZKSBMDNRQWLLPO-BETUJISGSA-N 0 0 439.921 2.794 50 0 IFAARN Cc1csc2nc(CN3CCNC(=O)[C@@H]3c3c(C)nn(-c4ccccc4)c3C)cc(=O)n12 ZINC000028721834 556459779 /nfs/dbraw/zinc/45/97/79/556459779.db2.gz WKSVPLIOBZPROH-NRFANRHFSA-N 0 0 448.552 2.540 50 0 IFAARN C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)CCN2CCCS2(=O)=O)[C@@H]1C ZINC000072280618 556462146 /nfs/dbraw/zinc/46/21/46/556462146.db2.gz VXTORAWHPUQEOC-LMMKCTJWSA-N 0 0 436.574 2.994 50 0 IFAARN CN(C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)[C@H]1CCCc2ccccc21 ZINC000013109027 556462620 /nfs/dbraw/zinc/46/26/20/556462620.db2.gz TVRIWMIYKMOHQS-IBGZPJMESA-N 0 0 433.599 2.590 50 0 IFAARN Cc1c(C(=O)N(CCO)CCO)sc2ncnc(N[C@H]3CCCc4ccccc43)c12 ZINC000014956853 556462704 /nfs/dbraw/zinc/46/27/04/556462704.db2.gz ZKPVJDVRCIQUCE-KRWDZBQOSA-N 0 0 426.542 2.916 50 0 IFAARN CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000014962277 556464351 /nfs/dbraw/zinc/46/43/51/556464351.db2.gz QHIBDZIVWYXPQM-MRXNPFEDSA-N 0 0 427.471 2.579 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 ZINC000013112193 556464468 /nfs/dbraw/zinc/46/44/68/556464468.db2.gz JJTORMRJZJDJPQ-UHFFFAOYSA-N 0 0 427.526 2.642 50 0 IFAARN CCOC(=O)c1c(NC(=O)Cn2cc(C(=O)OC)ccc2=O)sc2c1CC[C@@H](C)C2 ZINC000013113015 556466176 /nfs/dbraw/zinc/46/61/76/556466176.db2.gz GUYWKNSZSPFSPK-GFCCVEGCSA-N 0 0 432.498 2.637 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000029081364 556467046 /nfs/dbraw/zinc/46/70/46/556467046.db2.gz BSIBRXNYCNCTLG-SFHVURJKSA-N 0 0 444.576 2.853 50 0 IFAARN COC(=O)[C@@H]1CCCN1C(=O)c1cn(C(C)C)cc(C(=O)NCC2CCCCC2)c1=O ZINC000014975053 556468074 /nfs/dbraw/zinc/46/80/74/556468074.db2.gz JKEFEOXBKAWHKV-IBGZPJMESA-N 0 0 431.533 2.517 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3cccc(C)c3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000029144486 556468463 /nfs/dbraw/zinc/46/84/63/556468463.db2.gz IWSDMRVYJYFOGI-QHCPKHFHSA-N 0 0 434.540 2.988 50 0 IFAARN COc1cccc(CCN2C(=O)c3cccc(N4CCN(C(=O)C5CC5)CC4)c3C2=O)c1 ZINC000014976159 556468943 /nfs/dbraw/zinc/46/89/43/556468943.db2.gz SOFQBJGEQMITJL-UHFFFAOYSA-N 0 0 433.508 2.593 50 0 IFAARN COCCN(C(=O)c1sc2ncnc(NCCCN3CCCC3=O)c2c1C)C(C)C ZINC000014978456 556469979 /nfs/dbraw/zinc/46/99/79/556469979.db2.gz BYLCFOYZAGATEK-UHFFFAOYSA-N 0 0 433.578 2.921 50 0 IFAARN COC(=O)C1(NC(=O)CCNC(=O)c2ccc(Br)cc2)CCCCCC1 ZINC000029207166 556470267 /nfs/dbraw/zinc/47/02/67/556470267.db2.gz AMPXRDHGEKJLFT-UHFFFAOYSA-N 0 0 425.323 2.951 50 0 IFAARN O=C(CSc1nnc(-c2cccs2)o1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000013118044 556471450 /nfs/dbraw/zinc/47/14/50/556471450.db2.gz OPIJFIYCVWSSGO-CYBMUJFWSA-N 0 0 427.573 2.849 50 0 IFAARN Nc1nc(N)nc(CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)n1 ZINC000013120025 556471913 /nfs/dbraw/zinc/47/19/13/556471913.db2.gz BUXMFYUMGOHPEZ-UHFFFAOYSA-N 0 0 444.908 2.794 50 0 IFAARN COc1ccc(-c2ccnc(-n3ncc(C(=O)N4CCN(C)CC4)c3C3CC3)n2)cc1F ZINC000014990046 556474394 /nfs/dbraw/zinc/47/43/94/556474394.db2.gz HLYYBKOPULGRJU-UHFFFAOYSA-N 0 0 436.491 2.742 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000013121620 556474487 /nfs/dbraw/zinc/47/44/87/556474487.db2.gz CNKXGCRIDIYWKZ-UHFFFAOYSA-N 0 0 443.525 2.778 50 0 IFAARN O=C(CN1CSCC1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013126001 556475200 /nfs/dbraw/zinc/47/52/00/556475200.db2.gz ODFZOXGRDHGFBD-UHFFFAOYSA-N 0 0 431.508 2.731 50 0 IFAARN O=C(CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1)Nc1ccccc1Cl ZINC000013127482 556476067 /nfs/dbraw/zinc/47/60/67/556476067.db2.gz GLXUIPULRXYVAY-UHFFFAOYSA-N 0 0 437.931 2.981 50 0 IFAARN O=C(CN1C[C@H](c2ccccc2)CC1=O)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000014993366 556476116 /nfs/dbraw/zinc/47/61/16/556476116.db2.gz NRFLVXIIHJNEFH-UXHICEINSA-N 0 0 428.492 2.579 50 0 IFAARN O=C([C@@H]1CC12CCN(C(=O)[C@H]1CCCO1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000014993697 556476409 /nfs/dbraw/zinc/47/64/09/556476409.db2.gz KRCUNLWBPDWBSI-SONYQCCOSA-N 0 0 437.584 2.652 50 0 IFAARN O=C([C@H]1CC12CCN(C(=O)[C@H]1CCCO1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000014993693 556476544 /nfs/dbraw/zinc/47/65/44/556476544.db2.gz KRCUNLWBPDWBSI-CEYISNLHSA-N 0 0 437.584 2.652 50 0 IFAARN COc1cc(C[C@@]2(CCC(=O)N(C)CCc3c(C)n[nH]c3C)CCC(=O)N2)ccc1F ZINC000014994525 556476940 /nfs/dbraw/zinc/47/69/40/556476940.db2.gz JHLDKBGITFQBNI-QHCPKHFHSA-N 0 0 430.524 2.847 50 0 IFAARN O=CN1CCN(Cc2ccc(OCC[C@H]3CCCCN3C(=O)c3ccncc3)cc2)CC1 ZINC000014995132 556477317 /nfs/dbraw/zinc/47/73/17/556477317.db2.gz NYSRRRGTBXJZLQ-HSZRJFAPSA-N 0 0 436.556 2.819 50 0 IFAARN C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2=O)C1=O ZINC000029527480 556477578 /nfs/dbraw/zinc/47/75/78/556477578.db2.gz KRWXBUHVTJYSQR-XMMPIXPASA-N 0 0 446.463 2.965 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)NCc2nnc(SC)n2-c2ccccc2C)c1 ZINC000014996639 556478010 /nfs/dbraw/zinc/47/80/10/556478010.db2.gz HQJKDEHLYJWRNC-UHFFFAOYSA-N 0 0 434.543 2.793 50 0 IFAARN CC(=O)c1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000013128910 556478493 /nfs/dbraw/zinc/47/84/93/556478493.db2.gz BIABIPPBCLOLIB-UHFFFAOYSA-N 0 0 448.516 2.720 50 0 IFAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1nc3ccccc3[nH]1)C2=O ZINC000029601706 556478802 /nfs/dbraw/zinc/47/88/02/556478802.db2.gz ZNSZTABOGOPHRP-UHFFFAOYSA-N 0 0 425.533 2.749 50 0 IFAARN Nn1c(Cc2cccc3ccccc32)nnc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000013129989 556479530 /nfs/dbraw/zinc/47/95/30/556479530.db2.gz UHCLJINXQWUWBC-UHFFFAOYSA-N 0 0 447.520 2.873 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)NCc3ccccc3CN3CCOCC3)CC2)cc1 ZINC000029658301 556479710 /nfs/dbraw/zinc/47/97/10/556479710.db2.gz AXWYYUVJOVRWDR-UHFFFAOYSA-N 0 0 436.556 2.753 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)Cc1ccc(S(=O)(=O)N3CCCCC3)cc1)OCO2 ZINC000013130500 556479757 /nfs/dbraw/zinc/47/97/57/556479757.db2.gz RBDDBCOOBOSGLK-UHFFFAOYSA-N 0 0 444.509 2.974 50 0 IFAARN COc1ccc([C@@H](CNC(=O)NCCc2cccc(F)c2)N2CCOCC2)cc1OC ZINC000029723985 556480436 /nfs/dbraw/zinc/48/04/36/556480436.db2.gz CVUUMRGXKUZZRU-HXUWFJFHSA-N 0 0 431.508 2.758 50 0 IFAARN CCOc1cc2c(cc1OCC)CN(C(=O)c1cccc(CN3C(=O)CNC3=O)c1)CC2 ZINC000029711976 556480484 /nfs/dbraw/zinc/48/04/84/556480484.db2.gz SVVZJJSAKAQXKJ-UHFFFAOYSA-N 0 0 437.496 2.734 50 0 IFAARN O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000029756702 556481520 /nfs/dbraw/zinc/48/15/20/556481520.db2.gz JJWKQZZKNDWQLQ-GOSISDBHSA-N 0 0 429.952 2.570 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(F)cc1Cl ZINC000029768057 556482157 /nfs/dbraw/zinc/48/21/57/556482157.db2.gz HAGZQIULLRCAEF-UHFFFAOYSA-N 0 0 441.912 2.676 50 0 IFAARN CCCOc1ccc([C@@H]2c3c(=O)[nH]c(=O)[nH]c3NC(C)=C2C(=O)OC)c(OCCC)c1 ZINC000013134511 556482560 /nfs/dbraw/zinc/48/25/60/556482560.db2.gz NXNMQNTYJCQUHE-KRWDZBQOSA-N 0 0 429.473 2.645 50 0 IFAARN COc1cc(OC)c(C2=CCN(CC(=O)Nc3sccc3C(N)=O)CC2)c(OC)c1 ZINC000011060546 556483135 /nfs/dbraw/zinc/48/31/35/556483135.db2.gz GKHDQZUMRJCZGY-UHFFFAOYSA-N 0 0 431.514 2.601 50 0 IFAARN COC(=O)c1sc2[nH]c(CN(C)Cc3ccc(OC)c(OC)c3OC)nc(=O)c2c1C ZINC000013135223 556483463 /nfs/dbraw/zinc/48/34/63/556483463.db2.gz KUWFUKOHTGNOEJ-UHFFFAOYSA-N 0 0 447.513 2.737 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)Sc2nnc(C(F)(F)F)n2C)c(=O)n(-c2ccccc2)n1C ZINC000013137424 556484341 /nfs/dbraw/zinc/48/43/41/556484341.db2.gz ZALUCYSODGAXAT-LLVKDONJSA-N 0 0 440.451 2.751 50 0 IFAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000029968927 556487658 /nfs/dbraw/zinc/48/76/58/556487658.db2.gz XPHCFONITGJUAE-FQEVSTJZSA-N 0 0 433.618 2.689 50 0 IFAARN Cc1c(NC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)c(=O)n(-c2ccccc2)n1C ZINC000013145675 556488097 /nfs/dbraw/zinc/48/80/97/556488097.db2.gz RKRDGMVTEDQZEN-UHFFFAOYSA-N 0 0 435.528 2.610 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)C[C@H](C)O1 ZINC000013147643 556488772 /nfs/dbraw/zinc/48/87/72/556488772.db2.gz ACFQZPGSKMZZEV-GASCZTMLSA-N 0 0 432.498 2.508 50 0 IFAARN CCOCCCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O ZINC000013148852 556490328 /nfs/dbraw/zinc/49/03/28/556490328.db2.gz VSHQVZDOXREBJG-UHFFFAOYSA-N 0 0 446.554 2.714 50 0 IFAARN O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000030125127 556490657 /nfs/dbraw/zinc/49/06/57/556490657.db2.gz QHLOYJZWUAOENJ-GOSISDBHSA-N 0 0 449.477 2.936 50 0 IFAARN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NCCCn1cccn1 ZINC000030171738 556491000 /nfs/dbraw/zinc/49/10/00/556491000.db2.gz MMFRIMUDOMFOFB-INIZCTEOSA-N 0 0 439.379 2.704 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000030174533 556491293 /nfs/dbraw/zinc/49/12/93/556491293.db2.gz KOUYXSCKZVGVLO-ZDUSSCGKSA-N 0 0 436.262 2.528 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2coc(-c3cccs3)n2)CC1 ZINC000013150040 556491982 /nfs/dbraw/zinc/49/19/82/556491982.db2.gz FGWSCZWQINAHLS-UHFFFAOYSA-N 0 0 447.538 2.681 50 0 IFAARN CCOc1ncccc1CNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000030307978 556492652 /nfs/dbraw/zinc/49/26/52/556492652.db2.gz CIMNSVWRJXDSBA-UHFFFAOYSA-N 0 0 446.301 2.935 50 0 IFAARN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000015069178 556494639 /nfs/dbraw/zinc/49/46/39/556494639.db2.gz KGAYGRHONDMQTG-UHFFFAOYSA-N 0 0 430.549 2.892 50 0 IFAARN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013164082 556495438 /nfs/dbraw/zinc/49/54/38/556495438.db2.gz IEJKGNGBSQNIAG-HXUWFJFHSA-N 0 0 425.510 2.563 50 0 IFAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013164452 556496512 /nfs/dbraw/zinc/49/65/12/556496512.db2.gz YIHLNSFFRQBQBT-QGZVFWFLSA-N 0 0 432.571 2.803 50 0 IFAARN CSc1ccccc1NC(=O)CN(C)CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000013164370 556496519 /nfs/dbraw/zinc/49/65/19/556496519.db2.gz AMFGJBDYFVSTIT-OAHLLOKOSA-N 0 0 429.542 2.927 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)c(C)s1 ZINC000015071930 556496608 /nfs/dbraw/zinc/49/66/08/556496608.db2.gz ZTLOVOBRLGJRBU-GOSISDBHSA-N 0 0 442.628 2.885 50 0 IFAARN COc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(C(C)=O)cc3)sc2c1 ZINC000013164523 556496796 /nfs/dbraw/zinc/49/67/96/556496796.db2.gz QBIWATWPGJPUJO-UHFFFAOYSA-N 0 0 433.511 2.815 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000013164720 556497069 /nfs/dbraw/zinc/49/70/69/556497069.db2.gz FLRQQFXQOVMKEW-UHFFFAOYSA-N 0 0 439.537 2.956 50 0 IFAARN CCOc1cc(C(=O)Nc2cc(OC)cc(OC)c2)ccc1OCC(=O)N1CCOCC1 ZINC000015075436 556499245 /nfs/dbraw/zinc/49/92/45/556499245.db2.gz LGYDZXBNYKQCAX-UHFFFAOYSA-N 0 0 444.484 2.592 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCn4c5ccccc5nc43)C2)s1 ZINC000030661988 556501006 /nfs/dbraw/zinc/50/10/06/556501006.db2.gz IIRLUCAZMWXIFC-OAHLLOKOSA-N 0 0 430.555 2.854 50 0 IFAARN Cc1cc(C)n([C@H](C)C(=O)NCCN(CC(F)(F)F)C(=O)[C@@H](C)n2nc(C)cc2C)n1 ZINC000072292813 556501049 /nfs/dbraw/zinc/50/10/49/556501049.db2.gz GZOOHKPKXPTBBY-IAGOWNOFSA-N 0 0 442.486 2.643 50 0 IFAARN Cc1cc(C)n([C@H](C)C(=O)NCCN(CC(F)(F)F)C(=O)[C@H](C)n2nc(C)cc2C)n1 ZINC000072292815 556501086 /nfs/dbraw/zinc/50/10/86/556501086.db2.gz GZOOHKPKXPTBBY-SJORKVTESA-N 0 0 442.486 2.643 50 0 IFAARN COc1cc([C@@H]2O[C@H](C)Cn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000015106198 556503832 /nfs/dbraw/zinc/50/38/32/556503832.db2.gz PQMKEIHMJPKBMK-FATZIPQQSA-N 0 0 447.491 2.928 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(OC)cc3)c(O)c12 ZINC000013465620 556507085 /nfs/dbraw/zinc/50/70/85/556507085.db2.gz ZMKUUKJPBNPUNJ-FUHWJXTLSA-N 0 0 427.844 2.646 50 0 IFAARN CCn1nnc2cc(C(=O)N3CCN([C@@H](C(=O)OC)c4ccccc4Cl)CC3)ccc21 ZINC000032882064 556508472 /nfs/dbraw/zinc/50/84/72/556508472.db2.gz YUFVRKKRMBOQFM-HXUWFJFHSA-N 0 0 441.919 2.777 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1 ZINC000013494485 556508530 /nfs/dbraw/zinc/50/85/30/556508530.db2.gz MSIDSPNTTAXSPL-UHFFFAOYSA-N 0 0 431.514 2.755 50 0 IFAARN CCOc1ccc(CCNC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1OCC ZINC000015187636 556509813 /nfs/dbraw/zinc/50/98/13/556509813.db2.gz HJPXVJLEIKROQJ-UHFFFAOYSA-N 0 0 429.469 2.771 50 0 IFAARN CC(C)CNC(=O)NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 ZINC000032885756 556510426 /nfs/dbraw/zinc/51/04/26/556510426.db2.gz FNPDIIJKTZJAJF-HNNXBMFYSA-N 0 0 442.607 2.609 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1)[C@H]1CCCO1 ZINC000013516923 556511485 /nfs/dbraw/zinc/51/14/85/556511485.db2.gz SSNLAAFOOCTZLD-WOJBJXKFSA-N 0 0 444.509 2.754 50 0 IFAARN COc1ccc(OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000013519136 556511692 /nfs/dbraw/zinc/51/16/92/556511692.db2.gz XVSGXUDDOOSODG-UHFFFAOYSA-N 0 0 434.514 2.896 50 0 IFAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000030877191 556514228 /nfs/dbraw/zinc/51/42/28/556514228.db2.gz INWRIHUEQFOPKE-KRWDZBQOSA-N 0 0 427.476 2.692 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)ccc1Cl ZINC000030938951 556515626 /nfs/dbraw/zinc/51/56/26/556515626.db2.gz PFWIDVLHAUBBQA-QGZVFWFLSA-N 0 0 438.889 2.601 50 0 IFAARN CCc1ccc(N2C[C@@H](C(=O)N3CCN(CCCOCC(F)(F)F)CC3)CC2=O)cc1 ZINC000060100851 556515801 /nfs/dbraw/zinc/51/58/01/556515801.db2.gz JYJQSFBWZNAHTN-SFHVURJKSA-N 0 0 441.494 2.715 50 0 IFAARN COC(=O)c1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000030946582 556517274 /nfs/dbraw/zinc/51/72/74/556517274.db2.gz WXXHLNVTCSEQQW-KRWDZBQOSA-N 0 0 438.889 2.682 50 0 IFAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2C1=O ZINC000015307925 556518258 /nfs/dbraw/zinc/51/82/58/556518258.db2.gz MHULKSJAYPEGFV-UHFFFAOYSA-N 0 0 427.464 2.548 50 0 IFAARN Cc1ccc(-c2noc(CN3CCN(C(=O)C[C@H]4OC(=O)c5ccccc54)CC3)n2)cc1 ZINC000032891439 556519271 /nfs/dbraw/zinc/51/92/71/556519271.db2.gz ZAAQVEXTGDUJNH-HXUWFJFHSA-N 0 0 432.480 2.991 50 0 IFAARN COc1cc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc(Cl)c1OCC(N)=O ZINC000032899095 556519539 /nfs/dbraw/zinc/51/95/39/556519539.db2.gz CRPFISGGLJFYHR-UHFFFAOYSA-N 0 0 433.892 2.737 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)cc1 ZINC000032893482 556521247 /nfs/dbraw/zinc/52/12/47/556521247.db2.gz CUGXRYVRIPFVCZ-UHFFFAOYSA-N 0 0 425.514 2.538 50 0 IFAARN COC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000032894903 556521854 /nfs/dbraw/zinc/52/18/54/556521854.db2.gz YQLNEXBSTGGZCF-UHFFFAOYSA-N 0 0 433.313 2.880 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O ZINC000015351176 556522487 /nfs/dbraw/zinc/52/24/87/556522487.db2.gz WJRMAKJXFOUZHU-OAHLLOKOSA-N 0 0 440.500 2.863 50 0 IFAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)c(OC)c1 ZINC000013573705 556524048 /nfs/dbraw/zinc/52/40/48/556524048.db2.gz YLUNGOQNCORHPK-JQFNYASXSA-N 0 0 434.514 2.504 50 0 IFAARN COc1cccc([C@@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1OC ZINC000013576044 556525810 /nfs/dbraw/zinc/52/58/10/556525810.db2.gz MPKYNPBYZPNPGZ-QHCPKHFHSA-N 0 0 447.491 2.843 50 0 IFAARN COc1cc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)cc(OC)c1O ZINC000031861681 556527553 /nfs/dbraw/zinc/52/75/53/556527553.db2.gz HMMFKXIBIIUASW-ZGWOSQSPSA-N 0 0 429.469 2.957 50 0 IFAARN CC(=O)c1cn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc12 ZINC000032100868 556529168 /nfs/dbraw/zinc/52/91/68/556529168.db2.gz FZACYETXRDPPSW-UHFFFAOYSA-N 0 0 443.500 2.516 50 0 IFAARN Cc1nn(C)c2ncc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)s3)cc12 ZINC000032899788 556531245 /nfs/dbraw/zinc/53/12/45/556531245.db2.gz FOOKHJASJAJDFT-UHFFFAOYSA-N 0 0 433.559 2.694 50 0 IFAARN COc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cn3ccccc3=O)o2)cc(OC)c1 ZINC000032899858 556531669 /nfs/dbraw/zinc/53/16/69/556531669.db2.gz KEISCBVRFQJQQQ-CQSZACIVSA-N 0 0 426.425 2.691 50 0 IFAARN CCNC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000015503928 556531724 /nfs/dbraw/zinc/53/17/24/556531724.db2.gz AXMPCBSFOYHQIO-UZUQRXQVSA-N 0 0 439.512 2.956 50 0 IFAARN Cc1ccc(OC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)c(C)c1 ZINC000015534308 556533590 /nfs/dbraw/zinc/53/35/90/556533590.db2.gz DXPVTFMZHZTNCN-UHFFFAOYSA-N 0 0 444.509 2.992 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000015541410 556533742 /nfs/dbraw/zinc/53/37/42/556533742.db2.gz JADQTQPFNPRUFZ-NRFANRHFSA-N 0 0 430.526 2.693 50 0 IFAARN COC(=O)CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)cc1 ZINC000013608676 556533845 /nfs/dbraw/zinc/53/38/45/556533845.db2.gz UGYNHYDOCGGZNY-JOCHJYFZSA-N 0 0 428.485 2.933 50 0 IFAARN Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000013608959 556534160 /nfs/dbraw/zinc/53/41/60/556534160.db2.gz FYCPYYCJSZZFNB-UHFFFAOYSA-N 0 0 430.559 2.502 50 0 IFAARN COC(=O)Cn1c(=O)c2c3c(sc2n(CCCc2ccccc2)c1=O)COC(C)(C)C3 ZINC000013609980 556534285 /nfs/dbraw/zinc/53/42/85/556534285.db2.gz XZVAWMVZRIBJQG-UHFFFAOYSA-N 0 0 442.537 2.882 50 0 IFAARN CC[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000015547554 556534286 /nfs/dbraw/zinc/53/42/86/556534286.db2.gz ZEVQDGHJWHOXRX-INIZCTEOSA-N 0 0 437.587 2.955 50 0 IFAARN COc1cc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC ZINC000013610562 556534716 /nfs/dbraw/zinc/53/47/16/556534716.db2.gz NYHIPTCLVMYPFY-UHFFFAOYSA-N 0 0 429.473 2.791 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1 ZINC000015563197 556535013 /nfs/dbraw/zinc/53/50/13/556535013.db2.gz IPSWRQDQYICVKG-UHFFFAOYSA-N 0 0 435.477 2.541 50 0 IFAARN O=C(NC1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1)c1ccccc1 ZINC000032901043 556535579 /nfs/dbraw/zinc/53/55/79/556535579.db2.gz BQALEEFDLYUNBU-UHFFFAOYSA-N 0 0 447.582 2.567 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000013623687 556536059 /nfs/dbraw/zinc/53/60/59/556536059.db2.gz PCUUOKUGPLLYRE-QGZVFWFLSA-N 0 0 433.505 2.501 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCCOc3ccccc3)cc2)C[C@@H](C)O1 ZINC000011085929 556536847 /nfs/dbraw/zinc/53/68/47/556536847.db2.gz CXLJJRZYIWRXOT-QZTJIDSGSA-N 0 0 432.542 2.683 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3C)n2N)c(OC)c1 ZINC000032719435 556537273 /nfs/dbraw/zinc/53/72/73/556537273.db2.gz UUBBKQVNDNSWGY-CQSZACIVSA-N 0 0 427.530 2.954 50 0 IFAARN CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(C)cc1 ZINC000004571501 556537320 /nfs/dbraw/zinc/53/73/20/556537320.db2.gz YDFBUWZDJQSEFH-MBSDFSHPSA-N 0 0 428.533 2.544 50 0 IFAARN COc1ccc(Br)c(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000015718367 556544935 /nfs/dbraw/zinc/54/49/35/556544935.db2.gz XAJNIBKNQAMZPF-UHFFFAOYSA-N 0 0 439.331 2.911 50 0 IFAARN O[C@H](COc1c(F)cc(Br)cc1F)CN1CCN(c2ccccn2)CC1 ZINC000015724548 556545705 /nfs/dbraw/zinc/54/57/05/556545705.db2.gz QVUWGZAONKROAU-AWEZNQCLSA-N 0 0 428.277 2.684 50 0 IFAARN C[C@@H](NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(N)=O ZINC000004574699 556546295 /nfs/dbraw/zinc/54/62/95/556546295.db2.gz NLTGCWQJVYQJHP-OXQOHEQNSA-N 0 0 441.528 2.691 50 0 IFAARN CC[C@]1(C)CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000072303163 556547268 /nfs/dbraw/zinc/54/72/68/556547268.db2.gz FPVWKMPKADTQRU-JOCHJYFZSA-N 0 0 436.574 2.897 50 0 IFAARN CSCC[C@H](C(=O)NCCCc1nc2ccccc2[nH]1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000032904022 556547499 /nfs/dbraw/zinc/54/74/99/556547499.db2.gz ICJHWPJNBNCYFW-TXPKVOOTSA-N 0 0 442.585 2.909 50 0 IFAARN CS(=O)(=O)Cc1noc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000072305146 556550188 /nfs/dbraw/zinc/55/01/88/556550188.db2.gz KCXHIHWREWHKEJ-CQSZACIVSA-N 0 0 447.344 2.914 50 0 IFAARN C[C@@H]1CN(c2cc(C(=O)NCc3ccccc3CN3C[C@@H](C)O[C@@H](C)C3)ccn2)CCO1 ZINC000072305403 556552970 /nfs/dbraw/zinc/55/29/70/556552970.db2.gz BVKOKGVENBAURK-AQNXPRMDSA-N 0 0 438.572 2.846 50 0 IFAARN CCCNC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000015803072 556553008 /nfs/dbraw/zinc/55/30/08/556553008.db2.gz URKJHMNMTRCFRD-MRXNPFEDSA-N 0 0 430.526 2.505 50 0 IFAARN COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000013681778 556556916 /nfs/dbraw/zinc/55/69/16/556556916.db2.gz BOIHKYMOXGXCKK-INIZCTEOSA-N 0 0 449.511 2.671 50 0 IFAARN COC(=O)C1=C(CSc2nc3ncccn3n2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000032906027 556557311 /nfs/dbraw/zinc/55/73/11/556557311.db2.gz SGHMAQVSZPEENN-QGZVFWFLSA-N 0 0 436.497 2.572 50 0 IFAARN COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCCc2c[nH]c4ccccc24)[C@H]3C1=O ZINC000015894286 556561891 /nfs/dbraw/zinc/56/18/91/556561891.db2.gz IKGLSQKPYQOTPN-KWNHSTDBSA-N 0 0 443.503 2.822 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000015894217 556562028 /nfs/dbraw/zinc/56/20/28/556562028.db2.gz KRMUSJBFIHWDDU-VNAWGFGGSA-N 0 0 441.531 2.851 50 0 IFAARN CS(=O)(=O)c1ccc(S(=O)(=O)NCCCC2(C3OCCO3)CCCCCC2)cc1 ZINC000072307413 556562303 /nfs/dbraw/zinc/56/23/03/556562303.db2.gz ZZICFVVPQGEGIL-UHFFFAOYSA-N 0 0 445.603 2.862 50 0 IFAARN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000072307362 556562346 /nfs/dbraw/zinc/56/23/46/556562346.db2.gz SCBNBRBZRYLTJQ-UHFFFAOYSA-N 0 0 446.591 2.500 50 0 IFAARN COc1ccc(/C=C(\NC(=O)c2cccs2)C(=O)NCCCn2ccnc2)cc1OC ZINC000015913012 556563097 /nfs/dbraw/zinc/56/30/97/556563097.db2.gz RGSPKAVJVMGTJV-LGMDPLHJSA-N 0 0 440.525 2.939 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000015919220 556563674 /nfs/dbraw/zinc/56/36/74/556563674.db2.gz BMVUIHPQUNWBEZ-UHFFFAOYSA-N 0 0 431.514 2.710 50 0 IFAARN CCC[C@@H](C(=O)Nc1ccc(CC(=O)N(C)C)cc1)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072308057 556563733 /nfs/dbraw/zinc/56/37/33/556563733.db2.gz YSLBCVDRBZKXPQ-FQEVSTJZSA-N 0 0 446.592 2.977 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCS(=O)(=O)Nc1ccccc1 ZINC000032908805 556566050 /nfs/dbraw/zinc/56/60/50/556566050.db2.gz VRKZDGRVYSKJST-UHFFFAOYSA-N 0 0 443.447 2.934 50 0 IFAARN CCOc1ccc(OCCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000015934948 556566107 /nfs/dbraw/zinc/56/61/07/556566107.db2.gz XWYLRVWEDKPVKT-UHFFFAOYSA-N 0 0 428.485 2.873 50 0 IFAARN CC1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000015980096 556570835 /nfs/dbraw/zinc/57/08/35/556570835.db2.gz IISKMPUVCCISBT-QZTJIDSGSA-N 0 0 436.574 2.769 50 0 IFAARN CCC(CC)c1nnc(NC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)s1 ZINC000015981700 556570899 /nfs/dbraw/zinc/57/08/99/556570899.db2.gz PZDSOEBOZCJFGG-UHFFFAOYSA-N 0 0 448.545 2.940 50 0 IFAARN COc1ccc(CNC(=O)C[C@@H](C)CC2=NS(=O)(=O)c3ccccc3N2)cc1OC ZINC000032961394 556572163 /nfs/dbraw/zinc/57/21/63/556572163.db2.gz FZASKHMZMDSVSZ-AWEZNQCLSA-N 0 0 431.514 2.949 50 0 IFAARN COC(=O)c1sccc1NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000032909508 556573703 /nfs/dbraw/zinc/57/37/03/556573703.db2.gz BZGXAWTUMFEYHT-UHFFFAOYSA-N 0 0 429.545 2.571 50 0 IFAARN O=C1SC(=Cc2ccccc2F)C(=O)N1CCNC1=NS(=O)(=O)c2ccccc21 ZINC000000977602 556573888 /nfs/dbraw/zinc/57/38/88/556573888.db2.gz YOUWTESXHCRIJV-RVDMUPIBSA-N 0 0 431.470 2.601 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1cnc2ccccc2c1=O ZINC000016013022 556574283 /nfs/dbraw/zinc/57/42/83/556574283.db2.gz GQLYERNGDSFRND-UHFFFAOYSA-N 0 0 443.301 2.565 50 0 IFAARN Cc1ccc(OC[C@H](O)CN2CCN(C[C@@H](O)COc3ccc(C)cc3C)CC2)c(C)c1 ZINC000022942676 556578136 /nfs/dbraw/zinc/57/81/36/556578136.db2.gz NZKIJLNQPNZRLF-DNQXCXABSA-N 0 0 442.600 2.717 50 0 IFAARN CCOC(=O)C1=C(CSc2nnc(C(F)(F)F)n2C)NC(=O)N[C@@H]1c1cccs1 ZINC000016044407 556578634 /nfs/dbraw/zinc/57/86/34/556578634.db2.gz ZPWWJFPUSIURTA-LLVKDONJSA-N 0 0 447.464 2.859 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)COc2ccc(I)cc2)cc1 ZINC000016046020 556579879 /nfs/dbraw/zinc/57/98/79/556579879.db2.gz XHIDTYCKJMXTNE-UHFFFAOYSA-N 0 0 431.251 2.712 50 0 IFAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O ZINC000016046297 556580120 /nfs/dbraw/zinc/58/01/20/556580120.db2.gz UYCYTFBXDAOCRI-JOCHJYFZSA-N 0 0 438.509 2.595 50 0 IFAARN CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2I)C1=O ZINC000016046320 556580153 /nfs/dbraw/zinc/58/01/53/556580153.db2.gz DOKSOOSMUDEVLV-QGZVFWFLSA-N 0 0 443.285 2.976 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nnc(Cc3ccccc3)s2)C1=O ZINC000016046648 556580279 /nfs/dbraw/zinc/58/02/79/556580279.db2.gz UEYKCNYXIXQFMB-QFIPXVFZSA-N 0 0 435.509 2.925 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)n1 ZINC000016047017 556580618 /nfs/dbraw/zinc/58/06/18/556580618.db2.gz OPWRJCUFWLOHBF-QHCPKHFHSA-N 0 0 429.484 2.789 50 0 IFAARN COc1ccc(CN(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)C2CC2)cc1 ZINC000016046989 556580645 /nfs/dbraw/zinc/58/06/45/556580645.db2.gz SXCQQDMORURPFM-QFIPXVFZSA-N 0 0 446.507 2.831 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O ZINC000016048331 556580800 /nfs/dbraw/zinc/58/08/00/556580800.db2.gz MSIPKNJNYKSQRU-NRFANRHFSA-N 0 0 431.395 2.547 50 0 IFAARN O=C(COC(=O)c1c2c(nc3ccccc31)CCC2)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000016050896 556581263 /nfs/dbraw/zinc/58/12/63/556581263.db2.gz VLNYKWKZALDQNE-UHFFFAOYSA-N 0 0 447.447 3.000 50 0 IFAARN Nn1cc(-c2ccccc2)nc1SCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000032910970 556581920 /nfs/dbraw/zinc/58/19/20/556581920.db2.gz HZXFARXSIMBEBO-UHFFFAOYSA-N 0 0 430.555 2.577 50 0 IFAARN C[C@@H](NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(S(C)(=O)=O)cc1 ZINC000016109637 556583352 /nfs/dbraw/zinc/58/33/52/556583352.db2.gz UZMFLEVNDUCXRA-LRYXAPPNSA-N 0 0 447.601 2.925 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cccnc2Nc2ccccc2F)NC(=O)N[C@@H]1C ZINC000032910694 556584325 /nfs/dbraw/zinc/58/43/25/556584325.db2.gz OHJQWHLDIDQPRU-GFCCVEGCSA-N 0 0 428.420 2.640 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1OC ZINC000004583298 556584721 /nfs/dbraw/zinc/58/47/21/556584721.db2.gz NKGQAASZVIXUKV-UHFFFAOYSA-N 0 0 425.533 2.837 50 0 IFAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000032911901 556585287 /nfs/dbraw/zinc/58/52/87/556585287.db2.gz QWVKYVMQPYYHTA-SFHVURJKSA-N 0 0 444.887 2.839 50 0 IFAARN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000032911902 556585294 /nfs/dbraw/zinc/58/52/94/556585294.db2.gz QWVKYVMQPYYHTA-GOSISDBHSA-N 0 0 444.887 2.839 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)c1 ZINC000016213871 556591074 /nfs/dbraw/zinc/59/10/74/556591074.db2.gz PKWAAVAZAUYNRF-UHFFFAOYSA-N 0 0 430.592 2.652 50 0 IFAARN Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 ZINC000016213714 556591083 /nfs/dbraw/zinc/59/10/83/556591083.db2.gz QVGSPKKZVPUHCX-UHFFFAOYSA-N 0 0 429.542 2.944 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccco3)nn(-c3ccc(C)c(F)c3)c2=O)c1 ZINC000036088842 556592876 /nfs/dbraw/zinc/59/28/76/556592876.db2.gz NRNOJCMUQCVERV-UHFFFAOYSA-N 0 0 448.454 2.721 50 0 IFAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cnc2n(c1=O)CCS2 ZINC000016237782 556593725 /nfs/dbraw/zinc/59/37/25/556593725.db2.gz PNVSZODFQCHANN-UHFFFAOYSA-N 0 0 425.539 2.616 50 0 IFAARN CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000016248484 556594199 /nfs/dbraw/zinc/59/41/99/556594199.db2.gz FVLHDEBLKPYWHR-QFIPXVFZSA-N 0 0 441.597 2.592 50 0 IFAARN COCCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036212046 556594835 /nfs/dbraw/zinc/59/48/35/556594835.db2.gz RQNHOYPWHIGSMM-QFIPXVFZSA-N 0 0 445.604 2.921 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(CCNS(C)(=O)=O)cc2)c(OC)c1 ZINC000016261614 556595202 /nfs/dbraw/zinc/59/52/02/556595202.db2.gz VNPWNTPDESKUMV-FQEVSTJZSA-N 0 0 432.542 2.773 50 0 IFAARN COc1ccc(CCNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC ZINC000032973890 556595255 /nfs/dbraw/zinc/59/52/55/556595255.db2.gz NPRWTAZXRKAALA-UHFFFAOYSA-N 0 0 446.569 2.854 50 0 IFAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000016263565 556595340 /nfs/dbraw/zinc/59/53/40/556595340.db2.gz DLUXIWTYVPBHOL-UHFFFAOYSA-N 0 0 449.488 2.643 50 0 IFAARN COc1ccc(CCNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1 ZINC000032973951 556596033 /nfs/dbraw/zinc/59/60/33/556596033.db2.gz HHAQAGSTYCBEJV-UHFFFAOYSA-N 0 0 446.569 2.854 50 0 IFAARN O=S(=O)(c1cccc(NC(=S)NCc2ccc(Cl)cc2)c1)N1CCOCC1 ZINC000016346595 556601552 /nfs/dbraw/zinc/60/15/52/556601552.db2.gz HKDGBOMLEYREON-UHFFFAOYSA-N 0 0 425.963 2.848 50 0 IFAARN COc1cc(CCNC(=O)CSc2nnnn2C2CCCC2)ccc1OC(F)F ZINC000016372632 556603602 /nfs/dbraw/zinc/60/36/02/556603602.db2.gz JCKOJCXTDSKNDC-UHFFFAOYSA-N 0 0 427.477 2.849 50 0 IFAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccccc1OCC(=O)Nc1ccccc1C ZINC000016447831 556608066 /nfs/dbraw/zinc/60/80/66/556608066.db2.gz KATPDVDZEZMYHX-HXUWFJFHSA-N 0 0 425.510 2.978 50 0 IFAARN CCOc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000016447837 556608226 /nfs/dbraw/zinc/60/82/26/556608226.db2.gz OHGDAEULSXWUGY-LJQANCHMSA-N 0 0 436.505 2.715 50 0 IFAARN COc1ccc([C@@H](NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c2nccn2C)cc1 ZINC000016474975 556610198 /nfs/dbraw/zinc/61/01/98/556610198.db2.gz LUSHYLDOXMGNGS-LJQANCHMSA-N 0 0 437.525 2.723 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)c(Cl)c1 ZINC000016475140 556610370 /nfs/dbraw/zinc/61/03/70/556610370.db2.gz NDOYDMIJKXBQSZ-UHFFFAOYSA-N 0 0 425.913 2.594 50 0 IFAARN COc1ccc([C@@H](NC(=O)Cn2cnc3c4ccccc4oc3c2=O)c2nccn2C)cc1 ZINC000016476061 556610450 /nfs/dbraw/zinc/61/04/50/556610450.db2.gz RBZUIDRSYGSPOF-HXUWFJFHSA-N 0 0 443.463 2.791 50 0 IFAARN CCCCCc1nnc(NC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)s1 ZINC000022975201 556610757 /nfs/dbraw/zinc/61/07/57/556610757.db2.gz HRNUFBWKEIJRCL-UHFFFAOYSA-N 0 0 446.562 2.777 50 0 IFAARN O=C(Nc1nnc(SCCN2C(=O)c3ccccc3S2(=O)=O)s1)c1ccccc1 ZINC000016476857 556610770 /nfs/dbraw/zinc/61/07/70/556610770.db2.gz PHTINBNXKUDYJE-UHFFFAOYSA-N 0 0 446.535 2.727 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c(OC)c1 ZINC000038528660 556613065 /nfs/dbraw/zinc/61/30/65/556613065.db2.gz MPMMHKLXZOZYSV-UHFFFAOYSA-N 0 0 426.521 2.838 50 0 IFAARN CNC(=O)Cc1ccc(NC(=O)[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000032915844 556613276 /nfs/dbraw/zinc/61/32/76/556613276.db2.gz FBVFKLZFOWRNKH-QGZVFWFLSA-N 0 0 435.402 2.865 50 0 IFAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCCN(C)C)s1 ZINC000013497070 556614576 /nfs/dbraw/zinc/61/45/76/556614576.db2.gz BLPYYVXNEAPCOP-UHFFFAOYSA-N 0 0 445.632 2.832 50 0 IFAARN C[C@@H](NC(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1Cl ZINC000016589259 556616333 /nfs/dbraw/zinc/61/63/33/556616333.db2.gz NSKFCNLQOXXUBJ-QGZVFWFLSA-N 0 0 444.963 2.924 50 0 IFAARN O=S(=O)(c1cccc(F)c1)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000016586981 556616353 /nfs/dbraw/zinc/61/63/53/556616353.db2.gz VIFFDUWTXFFQNS-UHFFFAOYSA-N 0 0 426.897 2.852 50 0 IFAARN CSCC[C@H](NC(=O)CCNS(=O)(=O)c1cccs1)c1nc2ccccc2[nH]1 ZINC000016645525 556619805 /nfs/dbraw/zinc/61/98/05/556619805.db2.gz FSGHUAMCRVHBIP-HNNXBMFYSA-N 0 0 438.600 2.903 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000033663103 556619998 /nfs/dbraw/zinc/61/99/98/556619998.db2.gz IWPPJLFBYHXRNT-UHFFFAOYSA-N 0 0 426.498 2.593 50 0 IFAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)O[C@@H]1CCS(=O)(=O)C1 ZINC000016680152 556623499 /nfs/dbraw/zinc/62/34/99/556623499.db2.gz JHXRNZSBWWQLIB-CQSZACIVSA-N 0 0 435.552 2.818 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1nnc(Cc2ccccc2)s1 ZINC000016694644 556628286 /nfs/dbraw/zinc/62/82/86/556628286.db2.gz TUQCPCRVZLBDAU-HSZRJFAPSA-N 0 0 447.520 2.851 50 0 IFAARN COC(=O)C[C@H]1C(=O)NCCN1Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000039447924 556629135 /nfs/dbraw/zinc/62/91/35/556629135.db2.gz PAINZIUKZRXZHQ-NRFANRHFSA-N 0 0 436.487 2.850 50 0 IFAARN CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)OC)=C(C)N=2 ZINC000016699923 556629480 /nfs/dbraw/zinc/62/94/80/556629480.db2.gz JVLBSOGCQNTBQF-WPNIOXTASA-N 0 0 440.546 2.868 50 0 IFAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1cccc(-c3ccc(=O)[nH]n3)c1)C2=O ZINC000061460587 556634919 /nfs/dbraw/zinc/63/49/19/556634919.db2.gz QHMYISDXHPOZEJ-LFVRLGFBSA-N 0 0 437.500 2.512 50 0 IFAARN COC(=O)c1ccc(/C=c2\sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1 ZINC000016742142 556636088 /nfs/dbraw/zinc/63/60/88/556636088.db2.gz YIXGKRINCZLYEZ-UZYLVVNOSA-N 0 0 449.488 2.673 50 0 IFAARN COc1cccc(C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016751891 556637540 /nfs/dbraw/zinc/63/75/40/556637540.db2.gz QBAQAFGVMQVYKL-QGZVFWFLSA-N 0 0 449.525 2.551 50 0 IFAARN COc1cc(CN(C(=O)c2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000016751880 556637593 /nfs/dbraw/zinc/63/75/93/556637593.db2.gz QYNULFCQWCSZCC-QGZVFWFLSA-N 0 0 437.489 2.681 50 0 IFAARN COCc1nn2c(ncc3c2ccn(CCCN2CCOCC2)c3=O)c1-c1ccccc1 ZINC000040396530 556638971 /nfs/dbraw/zinc/63/89/71/556638971.db2.gz ISWJONQIQRRGAK-UHFFFAOYSA-N 0 0 433.512 2.580 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c1C ZINC000016795099 556643105 /nfs/dbraw/zinc/64/31/05/556643105.db2.gz ZGADJZVMLRKTHB-CYBMUJFWSA-N 0 0 427.457 2.727 50 0 IFAARN O=c1/c(=C\c2ccccc2Br)sc2nc([C@@H]3COc4ccccc4O3)nn12 ZINC000016805676 556643718 /nfs/dbraw/zinc/64/37/18/556643718.db2.gz QBAIKAJRRZLNOM-WNLSXJKCSA-N 0 0 442.294 2.974 50 0 IFAARN O=C(CCN(C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)C1CC1)N1CCCC1 ZINC000037576965 556643822 /nfs/dbraw/zinc/64/38/22/556643822.db2.gz OFDOWSXJRUJGPM-UHFFFAOYSA-N 0 0 449.555 2.546 50 0 IFAARN Cc1ccc(NC(=O)[C@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1F ZINC000011719948 556645036 /nfs/dbraw/zinc/64/50/36/556645036.db2.gz RWIKYNJFCSPIQA-AWEZNQCLSA-N 0 0 425.551 2.966 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719841 556645057 /nfs/dbraw/zinc/64/50/57/556645057.db2.gz MYIOLKZSVJCTLS-LBPRGKRZSA-N 0 0 429.514 2.796 50 0 IFAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)NC[C@@H]2CCCO2)C[C@@H](C)S3)cc1 ZINC000011726680 556647611 /nfs/dbraw/zinc/64/76/11/556647611.db2.gz YPAKBYBSPKASDV-CJNGLKHVSA-N 0 0 447.582 2.665 50 0 IFAARN Cc1cc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)no1 ZINC000011726725 556647974 /nfs/dbraw/zinc/64/79/74/556647974.db2.gz XDTWRGOSFDJHKL-UHFFFAOYSA-N 0 0 425.829 2.819 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCC4)cc1OC ZINC000016898173 556648457 /nfs/dbraw/zinc/64/84/57/556648457.db2.gz DTRIOLNNQQGWRI-CYBMUJFWSA-N 0 0 427.526 2.884 50 0 IFAARN O=c1ccc(-c2ccncc2)nn1CCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000011746772 556650088 /nfs/dbraw/zinc/65/00/88/556650088.db2.gz MZIALLJVEYRDLR-UHFFFAOYSA-N 0 0 439.324 2.981 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000017028076 556653592 /nfs/dbraw/zinc/65/35/92/556653592.db2.gz DSTKIGUHOLPXIJ-UHFFFAOYSA-N 0 0 435.480 2.906 50 0 IFAARN Cc1cccc(N2N=C(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CCC2=O)c1 ZINC000032999979 556653729 /nfs/dbraw/zinc/65/37/29/556653729.db2.gz KWNMQUQMDKALBV-LJQANCHMSA-N 0 0 426.542 2.729 50 0 IFAARN COC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000032927736 556656574 /nfs/dbraw/zinc/65/65/74/556656574.db2.gz OEBDUDMKBDQFCB-UHFFFAOYSA-N 0 0 435.477 2.587 50 0 IFAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-n2nccn2)cc1 ZINC000032928152 556656582 /nfs/dbraw/zinc/65/65/82/556656582.db2.gz TVQWFWRGUOGDEO-UHFFFAOYSA-N 0 0 439.273 2.769 50 0 IFAARN Cc1nnc2ccc(N3CCC(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)CC3)nn12 ZINC000033009872 556657869 /nfs/dbraw/zinc/65/78/69/556657869.db2.gz ZZXNUFITYOSXCK-UHFFFAOYSA-N 0 0 439.951 2.651 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)CC1 ZINC000011835075 556659379 /nfs/dbraw/zinc/65/93/79/556659379.db2.gz QIOPKHAXZRQSKW-UHFFFAOYSA-N 0 0 434.493 2.768 50 0 IFAARN Cc1ccccc1NC(=O)c1nnc(SCC(=O)N2CCC3(CC2)OCCO3)s1 ZINC000033012028 556660548 /nfs/dbraw/zinc/66/05/48/556660548.db2.gz VYSFOVNPIIZYDA-UHFFFAOYSA-N 0 0 434.543 2.556 50 0 IFAARN Cc1nn(C)cc1[C@H]1C2C(=Nc3ncnn31)c1cc(O)ccc1O[C@@H]2c1cn(C)nc1C ZINC000017096862 556660612 /nfs/dbraw/zinc/66/06/12/556660612.db2.gz BUSDNXYLHAFKSX-LEWJYISDSA-N 0 0 430.472 2.627 50 0 IFAARN CC(=O)c1cccc(NC(=O)c2cc3c(n2Cc2ccccc2)n(C)c(=O)n(C)c3=O)c1 ZINC000011845036 556660837 /nfs/dbraw/zinc/66/08/37/556660837.db2.gz MJKINLNHUSNEHV-UHFFFAOYSA-N 0 0 430.464 2.542 50 0 IFAARN Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000011858096 556663344 /nfs/dbraw/zinc/66/33/44/556663344.db2.gz ATEWOHCVGBUVPJ-UHFFFAOYSA-N 0 0 448.444 2.881 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000017099361 556664682 /nfs/dbraw/zinc/66/46/82/556664682.db2.gz INCGELWKYNYQIE-UHFFFAOYSA-N 0 0 434.992 2.659 50 0 IFAARN COc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccc(C)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)cc1 ZINC000044069160 556665822 /nfs/dbraw/zinc/66/58/22/556665822.db2.gz WHYAFYRMODYSLP-ZFVIQDPVSA-N 0 0 444.480 2.845 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000017111949 556667741 /nfs/dbraw/zinc/66/77/41/556667741.db2.gz VQCFDVDQMUCOOJ-UHFFFAOYSA-N 0 0 430.505 2.566 50 0 IFAARN COc1ccccc1OCC(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2F)s1 ZINC000017112423 556667869 /nfs/dbraw/zinc/66/78/69/556667869.db2.gz RQGXXGQSGRVQMT-UHFFFAOYSA-N 0 0 437.474 2.677 50 0 IFAARN CCOC(=O)c1ccc2c(c1)n(C[C@@H](O)COc1cccc(C(C)=O)c1)c(=O)n2CC ZINC000046580563 556668250 /nfs/dbraw/zinc/66/82/50/556668250.db2.gz IYWCIODMDPUMFT-GOSISDBHSA-N 0 0 426.469 2.642 50 0 IFAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)CN1CCCCCC1=O ZINC000011875548 556668454 /nfs/dbraw/zinc/66/84/54/556668454.db2.gz GXYYUHKMPNNSSR-UHFFFAOYSA-N 0 0 446.422 2.615 50 0 IFAARN O=C(COC(=O)CCCN1C(=O)CCC1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000032929978 556673155 /nfs/dbraw/zinc/67/31/55/556673155.db2.gz BNGODWRUELIEQE-UHFFFAOYSA-N 0 0 436.508 2.797 50 0 IFAARN COc1cc(C(=O)NCC(=O)Nc2cccc(N3CCCC3=O)c2)ccc1OC(F)F ZINC000011916764 556674410 /nfs/dbraw/zinc/67/44/10/556674410.db2.gz DMARAPFNSFCCEW-UHFFFAOYSA-N 0 0 433.411 2.792 50 0 IFAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000044893620 556676115 /nfs/dbraw/zinc/67/61/15/556676115.db2.gz GVQONADMUTYTDP-UHFFFAOYSA-N 0 0 440.450 2.546 50 0 IFAARN COC(=O)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000005159123 556676220 /nfs/dbraw/zinc/67/62/20/556676220.db2.gz JMNWERPYFXGTQI-FQEVSTJZSA-N 0 0 442.512 2.991 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000248212440 556676446 /nfs/dbraw/zinc/67/64/46/556676446.db2.gz DVAVRHCNAWYFNI-LBTNJELSSA-N 0 0 430.376 2.973 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)NC[C@H](O)CO[C@@H](C)c3ccccc3)c(C)n2n1 ZINC000032933037 556676478 /nfs/dbraw/zinc/67/64/78/556676478.db2.gz IQWACAZENFZMTA-WMZOPIPTSA-N 0 0 443.573 2.651 50 0 IFAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000011997527 556679318 /nfs/dbraw/zinc/67/93/18/556679318.db2.gz MAXWHGBHUGJWAG-UHFFFAOYSA-N 0 0 435.310 2.861 50 0 IFAARN Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C=Cc2ccc3c(c2)OCO3)n1 ZINC000012006338 556680499 /nfs/dbraw/zinc/68/04/99/556680499.db2.gz BJKVGWYQAKGBEA-ALCCZGGFSA-N 0 0 431.408 2.905 50 0 IFAARN CCCCN(C)C(=O)Cn1c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2oc1=O ZINC000018033905 556682016 /nfs/dbraw/zinc/68/20/16/556682016.db2.gz ZWNGORJMMMLXBW-IYBDPMFKSA-N 0 0 437.562 2.520 50 0 IFAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000010629363 556683064 /nfs/dbraw/zinc/68/30/64/556683064.db2.gz OBADKMMFPAOOQL-SFHVURJKSA-N 0 0 443.481 2.662 50 0 IFAARN COC(=O)[C@H](C)N1C(=O)/C(=C2/c3cc(Br)ccc3N(C)C2=O)SC1=S ZINC000001810182 556683825 /nfs/dbraw/zinc/68/38/25/556683825.db2.gz PTBXEZGUFVHQDJ-LRYPNONWSA-N 0 0 441.328 2.558 50 0 IFAARN O=C1C[C@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000018136578 556684715 /nfs/dbraw/zinc/68/47/15/556684715.db2.gz WNXDFQMRTPAJFQ-KRWDZBQOSA-N 0 0 430.302 2.609 50 0 IFAARN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021011 556685367 /nfs/dbraw/zinc/68/53/67/556685367.db2.gz FSRFMZXZHLTKLK-ZDUSSCGKSA-N 0 0 449.916 2.710 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)cc1C ZINC000033021196 556685652 /nfs/dbraw/zinc/68/56/52/556685652.db2.gz RCOJBPUNAMCBJS-INIZCTEOSA-N 0 0 443.525 2.674 50 0 IFAARN Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)C2=O)cc1 ZINC000018217974 556687421 /nfs/dbraw/zinc/68/74/21/556687421.db2.gz KJHSUPLAYGIXNY-MRXNPFEDSA-N 0 0 433.434 2.566 50 0 IFAARN C[C@@H](OC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000072312591 556687714 /nfs/dbraw/zinc/68/77/14/556687714.db2.gz NLMAQRYIRQMXGR-BIBXISHDSA-N 0 0 449.385 2.944 50 0 IFAARN NC(=O)C1(NS(=O)(=O)c2cc(Br)ccc2Br)CCCCC1 ZINC000072313029 556688825 /nfs/dbraw/zinc/68/88/25/556688825.db2.gz FZCMUTDPWQSEBY-UHFFFAOYSA-N 0 0 440.157 2.678 50 0 IFAARN CCOC(=O)C1CCN(C(=O)Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)CC1 ZINC000046005176 556689317 /nfs/dbraw/zinc/68/93/17/556689317.db2.gz BDCXMHDOOBXSQM-UHFFFAOYSA-N 0 0 442.903 2.618 50 0 IFAARN COc1ccccc1CNC(=O)Cn1ccn2nc(-c3ccc(OC)c(OC)c3)cc2c1=O ZINC000046005128 556689425 /nfs/dbraw/zinc/68/94/25/556689425.db2.gz MPWGLPDWBHTZJD-UHFFFAOYSA-N 0 0 448.479 2.505 50 0 IFAARN CCOc1ccc(-n2ccn3c(C[C@@H](C)CC(=O)NCc4ccco4)nnc3c2=O)cc1 ZINC000046005647 556689849 /nfs/dbraw/zinc/68/98/49/556689849.db2.gz ZCFHJVAIBUCULF-MRXNPFEDSA-N 0 0 435.484 2.757 50 0 IFAARN CCCn1nnc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCCCC4)C3)ccc21 ZINC000033023396 556691381 /nfs/dbraw/zinc/69/13/81/556691381.db2.gz IVBGUBNGDOFZSO-KRWDZBQOSA-N 0 0 433.578 2.645 50 0 IFAARN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2OC)[C@H]1OC ZINC000252513396 556691858 /nfs/dbraw/zinc/69/18/58/556691858.db2.gz ZNELTWSJFPPVIB-MISXGVKJSA-N 0 0 428.732 2.582 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O ZINC000252540581 556692181 /nfs/dbraw/zinc/69/21/81/556692181.db2.gz POBCIAYIWLHKDR-HSZRJFAPSA-N 0 0 441.487 2.964 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1cnn(-c2ccccc2)n1 ZINC000072313312 556693335 /nfs/dbraw/zinc/69/33/35/556693335.db2.gz QDXLBWSKPSLGBS-UHFFFAOYSA-N 0 0 433.493 2.998 50 0 IFAARN CC[C@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(Cl)cc3)ccc21 ZINC000033023746 556693843 /nfs/dbraw/zinc/69/38/43/556693843.db2.gz XCQDWXMPGRAAHJ-AWEZNQCLSA-N 0 0 449.964 2.993 50 0 IFAARN O=C(c1nc2sccn2c1CN1CCN(c2ncccn2)CC1)N1CCCCCCC1 ZINC000019112701 556699874 /nfs/dbraw/zinc/69/98/74/556699874.db2.gz XAABGOWIFDPJOE-UHFFFAOYSA-N 0 0 439.589 2.914 50 0 IFAARN CCOc1cc(Br)c(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000103685120 556701425 /nfs/dbraw/zinc/70/14/25/556701425.db2.gz IENSPAPYFICTAY-SMDDNHRTSA-N 0 0 435.365 2.900 50 0 IFAARN CCCn1nc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)ccc1=O ZINC000033028426 556708937 /nfs/dbraw/zinc/70/89/37/556708937.db2.gz YCLSZKADNDVSNC-UHFFFAOYSA-N 0 0 448.451 2.985 50 0 IFAARN O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)N1CCN(c2ccccn2)CC1 ZINC000033031851 556712522 /nfs/dbraw/zinc/71/25/22/556712522.db2.gz SDZMMQLZGFHXIY-UHFFFAOYSA-N 0 0 433.487 2.917 50 0 IFAARN O=C(Oc1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000000851599 556721982 /nfs/dbraw/zinc/72/19/82/556721982.db2.gz DPDPYRKYJREWLC-UHFFFAOYSA-N 0 0 426.288 2.689 50 0 IFAARN Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)cc1 ZINC000072328338 556725245 /nfs/dbraw/zinc/72/52/45/556725245.db2.gz UAYYZHRDQBFJPI-UHFFFAOYSA-N 0 0 433.599 2.806 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)n2c1N(C)CCC2 ZINC000072329873 556727739 /nfs/dbraw/zinc/72/77/39/556727739.db2.gz AQCAOJRZZYJZFL-UHFFFAOYSA-N 0 0 432.542 2.995 50 0 IFAARN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)Cc3cn4ccsc4n3)C2)CC1 ZINC000055100093 556734669 /nfs/dbraw/zinc/73/46/69/556734669.db2.gz DAHPYPBXFHVYPC-LJQANCHMSA-N 0 0 439.585 2.760 50 0 IFAARN CCCCn1nnnc1COC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000019298073 556734721 /nfs/dbraw/zinc/73/47/21/556734721.db2.gz GQJXNNTUXJXTCJ-IAGOWNOFSA-N 0 0 429.521 2.999 50 0 IFAARN CCn1c2ccccc2nc1NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000010652034 556735870 /nfs/dbraw/zinc/73/58/70/556735870.db2.gz NOCVXGFGRTUWBX-HNNXBMFYSA-N 0 0 437.525 2.856 50 0 IFAARN CCN(CC)c1ncc(Cl)c(C(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)n1 ZINC000078821044 556736523 /nfs/dbraw/zinc/73/65/23/556736523.db2.gz LHHOYOYKMXXLIC-UHFFFAOYSA-N 0 0 435.960 2.615 50 0 IFAARN CC[C@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)NC)cc1)c1ccccc1OC(F)F ZINC000078932328 556737004 /nfs/dbraw/zinc/73/70/04/556737004.db2.gz TVIVGPXGDVNGSG-INIZCTEOSA-N 0 0 440.468 2.689 50 0 IFAARN COC(=O)[C@@H](NC(=O)CC[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)(C)C)C(C)(C)C ZINC000079104603 556737229 /nfs/dbraw/zinc/73/72/29/556737229.db2.gz LWHBZPRVAZXJPG-CGTJXYLNSA-N 0 0 442.597 2.837 50 0 IFAARN Cc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)C3CCN(S(C)(=O)=O)CC3)nc21 ZINC000013789181 556737346 /nfs/dbraw/zinc/73/73/46/556737346.db2.gz QZBCRGIMSNUODM-INIZCTEOSA-N 0 0 437.587 2.788 50 0 IFAARN Nc1cc(C2CCN(c3cnn(-c4ccc(C(F)(F)F)cn4)c(=O)c3Cl)CC2)[nH]n1 ZINC000079023820 556737738 /nfs/dbraw/zinc/73/77/38/556737738.db2.gz HDHYEMVMBHDHEV-UHFFFAOYSA-N 0 0 439.829 2.989 50 0 IFAARN Cc1ccc(Oc2ccccc2)c(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000079056886 556738097 /nfs/dbraw/zinc/73/80/97/556738097.db2.gz BQYCKCBSSOSZHO-MRXNPFEDSA-N 0 0 441.509 2.891 50 0 IFAARN Cc1cccc2sc(N(C[C@H]3CCCO3)C(=O)[C@@H]3CCCCN3S(C)(=O)=O)nc21 ZINC000013793618 556739428 /nfs/dbraw/zinc/73/94/28/556739428.db2.gz DOZKVQZRQVYHML-CVEARBPZSA-N 0 0 437.587 2.931 50 0 IFAARN COCc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000055308628 556739675 /nfs/dbraw/zinc/73/96/75/556739675.db2.gz UQTYNPIPNPYWAD-UHFFFAOYSA-N 0 0 446.555 2.741 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3cc(F)ccc3F)n2)cc1 ZINC000013798495 556741636 /nfs/dbraw/zinc/74/16/36/556741636.db2.gz RHQCVMHFHILYBT-UHFFFAOYSA-N 0 0 435.452 2.566 50 0 IFAARN Cc1ccc(NC(=O)CN2CCN(Cc3ccc(F)cc3Cl)S2(=O)=O)cc1F ZINC000033045361 556742253 /nfs/dbraw/zinc/74/22/53/556742253.db2.gz BIJOOYPKEXVCAX-UHFFFAOYSA-N 0 0 429.876 2.928 50 0 IFAARN Cc1nc2ccc(S(=O)(=O)NCCCn3nc(-c4ccco4)ccc3=O)cc2s1 ZINC000013799746 556742814 /nfs/dbraw/zinc/74/28/14/556742814.db2.gz JHROZXMNGGSGGH-UHFFFAOYSA-N 0 0 430.511 2.790 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(C)c1 ZINC000033047628 556743100 /nfs/dbraw/zinc/74/31/00/556743100.db2.gz AKZHMDVMOUVHLK-UHFFFAOYSA-N 0 0 442.990 2.960 50 0 IFAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000005225228 556744603 /nfs/dbraw/zinc/74/46/03/556744603.db2.gz QDNZZJKMKPJBKK-IBGZPJMESA-N 0 0 428.510 2.923 50 0 IFAARN N=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(O)c(Br)c2)N1)OCCCO4 ZINC000019354123 556745013 /nfs/dbraw/zinc/74/50/13/556745013.db2.gz FNAJAHKXMAKNQM-INIZCTEOSA-N 0 0 430.262 2.762 50 0 IFAARN Cc1oc2cc3c(cc2c1C(=O)N1CCN(C)CC1)oc(C)c3C(=O)N1CCN(C)CC1 ZINC000057496784 556747817 /nfs/dbraw/zinc/74/78/17/556747817.db2.gz LMFJCYFYJSIDAR-UHFFFAOYSA-N 0 0 438.528 2.571 50 0 IFAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCCCCc1nc2ccccc2[nH]1 ZINC000206236849 556748743 /nfs/dbraw/zinc/74/87/43/556748743.db2.gz RSNDGOLBVFDOEM-HXUWFJFHSA-N 0 0 433.512 2.923 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)N(C)Cc3ccccc3)C2=O)cc1OC ZINC000206233255 556748909 /nfs/dbraw/zinc/74/89/09/556748909.db2.gz YMTGKQVTMQKWQP-GOSISDBHSA-N 0 0 425.485 2.563 50 0 IFAARN CSCC[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000206246094 556748930 /nfs/dbraw/zinc/74/89/30/556748930.db2.gz CMBBQQLZOLKERP-MSOLQXFVSA-N 0 0 437.525 2.614 50 0 IFAARN CSCC[C@H]1NC(=O)c2cc(NC(=O)Cc3ccc4c(c3)OCC4)ccc2NC1=O ZINC000206231373 556748972 /nfs/dbraw/zinc/74/89/72/556748972.db2.gz FCHRCOCLHWADEH-GOSISDBHSA-N 0 0 425.510 2.606 50 0 IFAARN CSCC[C@H]1NC(=O)c2cc(NC(=O)c3ccc4c(c3)OCCCO4)ccc2NC1=O ZINC000206233820 556748982 /nfs/dbraw/zinc/74/89/82/556748982.db2.gz AVHSETZSFQBAMU-QGZVFWFLSA-N 0 0 441.509 2.904 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc(C(C)(C)C)cs3)C2=O)cc1OC ZINC000206241751 556749494 /nfs/dbraw/zinc/74/94/94/556749494.db2.gz DRUMJUWJBIUXOS-CYBMUJFWSA-N 0 0 446.529 2.907 50 0 IFAARN O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000206256974 556749776 /nfs/dbraw/zinc/74/97/76/556749776.db2.gz AXQPAZWAWISEDI-GOSISDBHSA-N 0 0 445.903 2.644 50 0 IFAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(I)cc1 ZINC000057999788 556752074 /nfs/dbraw/zinc/75/20/74/556752074.db2.gz DNHNPMXNSOZMRT-UHFFFAOYSA-N 0 0 437.281 2.758 50 0 IFAARN Cc1nnc([C@H](C)S(=O)(=O)Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000058006612 556752941 /nfs/dbraw/zinc/75/29/41/556752941.db2.gz KWEMIJMZLLYBOW-ZETCQYMHSA-N 0 0 436.803 2.702 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)s1 ZINC000058044801 556755151 /nfs/dbraw/zinc/75/51/51/556755151.db2.gz GHNAZZLOBWOKCB-UHFFFAOYSA-N 0 0 425.551 2.696 50 0 IFAARN O=C(NCc1cccnc1N1CCOCC1)Nc1ccc(-n2cncn2)cc1C(F)(F)F ZINC000058067089 556756554 /nfs/dbraw/zinc/75/65/54/556756554.db2.gz SWSWLDNVXYZJIF-UHFFFAOYSA-N 0 0 447.421 2.839 50 0 IFAARN Cc1ccccc1C(=O)NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000046620992 556760720 /nfs/dbraw/zinc/76/07/20/556760720.db2.gz KYSRKCDXSBSVJY-UHFFFAOYSA-N 0 0 433.430 2.728 50 0 IFAARN O=C(Cc1csc(NC(=O)c2ncccn2)n1)NCc1ccccc1OC(F)(F)F ZINC000061969172 556763147 /nfs/dbraw/zinc/76/31/47/556763147.db2.gz JBNHBIYIQGRWEB-UHFFFAOYSA-N 0 0 437.403 2.943 50 0 IFAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)C1 ZINC000058157747 556763260 /nfs/dbraw/zinc/76/32/60/556763260.db2.gz MLPKMKXOUNTIJV-KRWDZBQOSA-N 0 0 448.520 2.552 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000058158797 556763555 /nfs/dbraw/zinc/76/35/55/556763555.db2.gz HZZLSTZLJHEACJ-SFHVURJKSA-N 0 0 443.569 2.840 50 0 IFAARN CNC(=O)c1cn(-c2ccc(SCC(=O)Nc3ccccc3Br)nn2)cn1 ZINC000062007168 556765460 /nfs/dbraw/zinc/76/54/60/556765460.db2.gz GGJDKJYVYMDWOB-UHFFFAOYSA-N 0 0 447.318 2.515 50 0 IFAARN CC(=O)c1ccc(N2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)CC2)c(F)c1 ZINC000058170339 556768034 /nfs/dbraw/zinc/76/80/34/556768034.db2.gz KOOPVTHSYRXFPY-MRXNPFEDSA-N 0 0 438.503 2.914 50 0 IFAARN O=C(CN1CCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC1)Nc1ccc(F)cc1 ZINC000058175402 556769186 /nfs/dbraw/zinc/76/91/86/556769186.db2.gz IVYZJWUVHDFYCO-UHFFFAOYSA-N 0 0 433.867 2.647 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1C[C@@H](C)O ZINC000206596779 556770180 /nfs/dbraw/zinc/77/01/80/556770180.db2.gz JZNANDFHNHKZDA-GFCCVEGCSA-N 0 0 447.538 2.746 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)c2)C[C@@H](C)O1 ZINC000058196609 556770507 /nfs/dbraw/zinc/77/05/07/556770507.db2.gz MQTRKODKGKIYAR-HLIPFELVSA-N 0 0 448.589 2.526 50 0 IFAARN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1 ZINC000058203080 556771371 /nfs/dbraw/zinc/77/13/71/556771371.db2.gz XXJGSXQBWQYVSI-AEFFLSMTSA-N 0 0 437.606 2.711 50 0 IFAARN CCCCn1nccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000058215798 556772620 /nfs/dbraw/zinc/77/26/20/556772620.db2.gz UQOIYCKPVDRLEG-UHFFFAOYSA-N 0 0 448.545 2.509 50 0 IFAARN CCOC(=O)C1CCN(C(=O)COC(=O)c2cc3ccccc3nc2N2CCCC2)CC1 ZINC000058217213 556772858 /nfs/dbraw/zinc/77/28/58/556772858.db2.gz UADVYUVTWUVTIN-UHFFFAOYSA-N 0 0 439.512 2.794 50 0 IFAARN COc1ccc(OCc2nc(CN3CCN(CC(=O)N4CCCCC4)CC3)cs2)cc1 ZINC000058218853 556773138 /nfs/dbraw/zinc/77/31/38/556773138.db2.gz KKFJOULUDLKMHT-UHFFFAOYSA-N 0 0 444.601 2.861 50 0 IFAARN NC(=O)[C@@H]1CC(C(=O)NCc2cccnc2Oc2cccc(F)c2)=NN1c1ccccc1 ZINC000058224831 556773540 /nfs/dbraw/zinc/77/35/40/556773540.db2.gz FYUMIHWEWAIKEO-FQEVSTJZSA-N 0 0 433.443 2.749 50 0 IFAARN Cc1csc(C2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)cn3C)CC2)n1 ZINC000058310336 556779553 /nfs/dbraw/zinc/77/95/53/556779553.db2.gz BTAJBDASFFKECZ-UHFFFAOYSA-N 0 0 436.603 2.984 50 0 IFAARN Cc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)sc2nc(C3CC3)nc(C)c12 ZINC000058312967 556780093 /nfs/dbraw/zinc/78/00/93/556780093.db2.gz JAKXGQZEVUEUAS-HZPDHXFCSA-N 0 0 448.614 2.567 50 0 IFAARN Cc1c(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)sc2nc(C3CC3)nc(C)c12 ZINC000058312963 556780108 /nfs/dbraw/zinc/78/01/08/556780108.db2.gz JAKXGQZEVUEUAS-HOTGVXAUSA-N 0 0 448.614 2.567 50 0 IFAARN O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC000058356369 556782684 /nfs/dbraw/zinc/78/26/84/556782684.db2.gz JQGJKHNCQXYOTM-UHFFFAOYSA-N 0 0 446.511 2.565 50 0 IFAARN CNC(=O)c1ccc(CN(C)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000058392484 556784733 /nfs/dbraw/zinc/78/47/33/556784733.db2.gz UKKNKADKTJFWQF-UHFFFAOYSA-N 0 0 444.557 2.885 50 0 IFAARN O=C(CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)OCc1ccccc1 ZINC000058405799 556785833 /nfs/dbraw/zinc/78/58/33/556785833.db2.gz NRBKWVDXPIPETA-KRWDZBQOSA-N 0 0 431.286 2.662 50 0 IFAARN O=C(CN(CCCN1CCOCC1)CC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000058432614 556787896 /nfs/dbraw/zinc/78/78/96/556787896.db2.gz XIJBACZJJXWKFF-UHFFFAOYSA-N 0 0 446.498 2.566 50 0 IFAARN CCCn1c(N)c(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)c(=O)n(C)c1=O ZINC000011181566 556792168 /nfs/dbraw/zinc/79/21/68/556792168.db2.gz HAGQKDMEAGMDME-UHFFFAOYSA-N 0 0 425.514 2.678 50 0 IFAARN O=C(CS(=O)(=O)CCCc1ccccc1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000058804336 556792190 /nfs/dbraw/zinc/79/21/90/556792190.db2.gz LGONBCXCDVYNMV-UHFFFAOYSA-N 0 0 432.561 2.908 50 0 IFAARN CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019532576 556792905 /nfs/dbraw/zinc/79/29/05/556792905.db2.gz IAFZBXIKPYVWNY-UHFFFAOYSA-N 0 0 448.541 2.719 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(-n3cnnn3)ccc2C)c1 ZINC000059284069 556797031 /nfs/dbraw/zinc/79/70/31/556797031.db2.gz BDBGYVYXKXBGRL-UHFFFAOYSA-N 0 0 428.518 2.562 50 0 IFAARN COCCNC(=O)Cn1c2ccccc2nc1SCC(=O)Nc1ccc(OC)cc1 ZINC000033050605 556800896 /nfs/dbraw/zinc/80/08/96/556800896.db2.gz BKMALIOFSUHAGG-UHFFFAOYSA-N 0 0 428.514 2.538 50 0 IFAARN CCOC(=O)C[C@@H](c1ccc(OCc2ccccn2)cc1)c1oc(CO)cc(=O)c1O ZINC000072401611 556800912 /nfs/dbraw/zinc/80/09/12/556800912.db2.gz AGOBCWNOHSDYCD-IBGZPJMESA-N 0 0 425.437 2.897 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000072401801 556801508 /nfs/dbraw/zinc/80/15/08/556801508.db2.gz PFNPWCGIQNTKAG-UHFFFAOYSA-N 0 0 429.908 2.769 50 0 IFAARN CCNC(=O)CN1CCCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 ZINC000059849830 556804955 /nfs/dbraw/zinc/80/49/55/556804955.db2.gz LTRNSHICEZHKGY-UHFFFAOYSA-N 0 0 427.932 2.855 50 0 IFAARN CCCn1c2ccccc2n(CCC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1=O ZINC000059935752 556805386 /nfs/dbraw/zinc/80/53/86/556805386.db2.gz VWNJLLNLHXFOAX-JOCHJYFZSA-N 0 0 449.555 2.692 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)NCc1ccccc1Cl ZINC000003319438 556810218 /nfs/dbraw/zinc/81/02/18/556810218.db2.gz IVLBBMHYRSTQFA-UHFFFAOYSA-N 0 0 436.917 2.598 50 0 IFAARN COc1ccc2cnn(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(=O)c2c1OC ZINC000061722081 556811212 /nfs/dbraw/zinc/81/12/12/556811212.db2.gz DTGPVBYTAHGZSM-UHFFFAOYSA-N 0 0 440.887 2.907 50 0 IFAARN Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)c1 ZINC000097943494 556813213 /nfs/dbraw/zinc/81/32/13/556813213.db2.gz BAZQMJVXNLJYQT-QFIPXVFZSA-N 0 0 445.523 2.765 50 0 IFAARN Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)CC2)cc1 ZINC000097943636 556813475 /nfs/dbraw/zinc/81/34/75/556813475.db2.gz SZTOCQGELIIOQD-JOCHJYFZSA-N 0 0 445.523 2.765 50 0 IFAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCc5ccco5)CC4)c3CO2)cc1 ZINC000097943732 556813720 /nfs/dbraw/zinc/81/37/20/556813720.db2.gz MGBDWJVSADOKNY-OAQYLSRUSA-N 0 0 449.511 2.620 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)cc1OC ZINC000097943866 556814592 /nfs/dbraw/zinc/81/45/92/556814592.db2.gz QMXCOJAYTOIIIJ-XMMPIXPASA-N 0 0 437.496 2.739 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000005519917 556820898 /nfs/dbraw/zinc/82/08/98/556820898.db2.gz RXEWNYZQGWEPRF-QXAKKESOSA-N 0 0 425.547 2.821 50 0 IFAARN COC(=O)c1sc2nc(CN(C)Cc3nonc3C)ccc2c1NC(=O)[C@@H]1CCCO1 ZINC000064137238 556822805 /nfs/dbraw/zinc/82/28/05/556822805.db2.gz MHCKKNCNQBFNRO-HNNXBMFYSA-N 0 0 445.501 2.524 50 0 IFAARN Cc1ccc(SCC(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000004768635 556823396 /nfs/dbraw/zinc/82/33/96/556823396.db2.gz OTGJOFGHLHNKCK-KRWDZBQOSA-N 0 0 427.588 2.610 50 0 IFAARN COc1ccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1OC ZINC000064591342 556824840 /nfs/dbraw/zinc/82/48/40/556824840.db2.gz QWBSTRCJAYABBV-UHFFFAOYSA-N 0 0 448.435 2.548 50 0 IFAARN COc1ccccc1-n1nnc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1-c1ccncc1 ZINC000206641941 556825900 /nfs/dbraw/zinc/82/59/00/556825900.db2.gz HZLJPQYCETVRIX-UHFFFAOYSA-N 0 0 449.492 2.994 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCCN([C@@H]3CCN(Cc4ccccc4)C3=O)CC2)c1 ZINC000097945164 556826751 /nfs/dbraw/zinc/82/67/51/556826751.db2.gz BPYDOUWCAKXKFN-HSZRJFAPSA-N 0 0 437.540 2.653 50 0 IFAARN COc1ccc(CC(=O)N2CCc3c(c(C(=O)NCc4cccc(C)c4)nn3C)C2)cc1 ZINC000064892939 556828069 /nfs/dbraw/zinc/82/80/69/556828069.db2.gz SIMRYHLHGWUHCH-UHFFFAOYSA-N 0 0 432.524 2.795 50 0 IFAARN CC(C)Cc1ccc(S(=O)(=O)N2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1 ZINC000064893373 556828442 /nfs/dbraw/zinc/82/84/42/556828442.db2.gz OSOIOPBFGZCRIL-UHFFFAOYSA-N 0 0 430.574 2.602 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)O[C@@H](C)C(=O)N3CCc4ccccc4C3)c(C)n2n1 ZINC000019614751 556831631 /nfs/dbraw/zinc/83/16/31/556831631.db2.gz SVYFJALJCCYGAX-HNNXBMFYSA-N 0 0 439.541 2.522 50 0 IFAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000019632044 556832934 /nfs/dbraw/zinc/83/29/34/556832934.db2.gz TVGPHORONINCNX-UHFFFAOYSA-N 0 0 440.562 2.818 50 0 IFAARN CCn1nc(C)c(CNC(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)c1C ZINC000019635230 556834730 /nfs/dbraw/zinc/83/47/30/556834730.db2.gz OFMOGASJRFJZGP-UHFFFAOYSA-N 0 0 436.560 2.756 50 0 IFAARN COc1cc(OC)c(NC(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1Cl ZINC000065364167 556835405 /nfs/dbraw/zinc/83/54/05/556835405.db2.gz SZKBIBZLNUKBPH-UHFFFAOYSA-N 0 0 443.895 2.687 50 0 IFAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000334160589 556836786 /nfs/dbraw/zinc/83/67/86/556836786.db2.gz IEYWBEROUPQPII-IFMALSPDSA-N 0 0 439.475 2.909 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000019640892 556837337 /nfs/dbraw/zinc/83/73/37/556837337.db2.gz REMBCKUWFXKSOA-UHFFFAOYSA-N 0 0 444.525 2.783 50 0 IFAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)ccc21 ZINC000062582181 556838169 /nfs/dbraw/zinc/83/81/69/556838169.db2.gz VJTWIAVSMMUTNN-GOSISDBHSA-N 0 0 434.540 2.934 50 0 IFAARN CCn1c2ccccc2c2cc(NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)ccc21 ZINC000062582184 556838256 /nfs/dbraw/zinc/83/82/56/556838256.db2.gz VJTWIAVSMMUTNN-SFHVURJKSA-N 0 0 434.540 2.934 50 0 IFAARN O=C([C@H]1COc2ccccc2O1)N(CCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022998315 556840813 /nfs/dbraw/zinc/84/08/13/556840813.db2.gz NGOBXXKLYIJJAT-GOSISDBHSA-N 0 0 443.500 2.941 50 0 IFAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCCCn2c3ccccc3[nH]c2=O)cc1 ZINC000011216099 556844107 /nfs/dbraw/zinc/84/41/07/556844107.db2.gz VIIIVXWVSLOVFB-OAHLLOKOSA-N 0 0 431.514 2.654 50 0 IFAARN COc1ccc2c(cc(C(=O)N[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)n2C)c1 ZINC000067630429 556845441 /nfs/dbraw/zinc/84/54/41/556845441.db2.gz YONZNZMITONVBV-GOSISDBHSA-N 0 0 434.540 2.650 50 0 IFAARN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCc1cc(=O)n(C)c(=O)n1C ZINC000011217988 556847707 /nfs/dbraw/zinc/84/77/07/556847707.db2.gz SYSYBRQCDJUJCI-UHFFFAOYSA-N 0 0 449.463 2.778 50 0 IFAARN CCOC(=O)[C@H](CSC(=O)c1ccc(CO[N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000068605748 556849077 /nfs/dbraw/zinc/84/90/77/556849077.db2.gz WDOLSUUZMQRGNR-KRWDZBQOSA-N 0 0 432.454 2.630 50 0 IFAARN CC(C)NC(=O)N1C[C@H](C(=O)N2CCN(C)CC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097954610 556850561 /nfs/dbraw/zinc/85/05/61/556850561.db2.gz BBNLCPGVHJJUEI-ROUUACIJSA-N 0 0 426.483 2.613 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(ccc(=O)n3CC(=O)N3CCCCCC3)c2)CC1 ZINC000033077275 556854463 /nfs/dbraw/zinc/85/44/63/556854463.db2.gz ICRUCZDXMSZHSI-UHFFFAOYSA-N 0 0 445.585 2.825 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CC(=O)Nc3cc(C)cc(C)c3)ccc21 ZINC000033077492 556854478 /nfs/dbraw/zinc/85/44/78/556854478.db2.gz JQFFYUCZTMMPAK-UHFFFAOYSA-N 0 0 429.542 2.862 50 0 IFAARN CCOC(=O)CCNC(=O)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106614 556859412 /nfs/dbraw/zinc/85/94/12/556859412.db2.gz JBGZKNNONKJAQD-UHFFFAOYSA-N 0 0 435.528 2.869 50 0 IFAARN CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccc(OC)cc1OC ZINC000033124800 556864221 /nfs/dbraw/zinc/86/42/21/556864221.db2.gz PYOIPUMESSPISB-LJQANCHMSA-N 0 0 441.459 2.863 50 0 IFAARN CCOc1ccc(CNC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1OC ZINC000033125180 556866283 /nfs/dbraw/zinc/86/62/83/556866283.db2.gz UVKJTTNORBDELZ-UHFFFAOYSA-N 0 0 437.496 2.952 50 0 IFAARN COc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCN2CCOCC2)cc1 ZINC000019707169 556866459 /nfs/dbraw/zinc/86/64/59/556866459.db2.gz FLGWHHBJZHIROP-PGMHBOJBSA-N 0 0 443.931 2.568 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCCCC4)C3)c2)no1 ZINC000033129661 556869019 /nfs/dbraw/zinc/86/90/19/556869019.db2.gz NCAIFXBDTNMUHX-HNNXBMFYSA-N 0 0 438.575 2.910 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(F)ccc2F)c1=O ZINC000033140960 556876750 /nfs/dbraw/zinc/87/67/50/556876750.db2.gz ISBUVFDPQOZICG-UHFFFAOYSA-N 0 0 449.483 2.547 50 0 IFAARN COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc(Cl)cc4)ccc3=O)CC2)c1 ZINC000071281170 556880364 /nfs/dbraw/zinc/88/03/64/556880364.db2.gz NNXGYKVFDWPDME-UHFFFAOYSA-N 0 0 438.915 2.921 50 0 IFAARN Cc1cccc(Sc2nccnc2N2CCC(C(=O)NCCN3CCOCC3)CC2)c1 ZINC000033168658 556880497 /nfs/dbraw/zinc/88/04/97/556880497.db2.gz VASLFIXIEYRBSK-UHFFFAOYSA-N 0 0 441.601 2.601 50 0 IFAARN O=C([C@@H]1CCC(=O)N(CCCN2CCOCC2)C1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000019740427 556880499 /nfs/dbraw/zinc/88/04/99/556880499.db2.gz UYFPLSBKGSVQCQ-JOCHJYFZSA-N 0 0 437.584 2.535 50 0 IFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)-c3oncc3CO4)CC2)cc1 ZINC000033171234 556882361 /nfs/dbraw/zinc/88/23/61/556882361.db2.gz MUIWBMWBVNHSBE-UHFFFAOYSA-N 0 0 439.493 2.948 50 0 IFAARN O=S(=O)(NCCCN1CCN(c2ccccc2)CC1)c1cc(-c2ccno2)cs1 ZINC000033169517 556884797 /nfs/dbraw/zinc/88/47/97/556884797.db2.gz NDOKEMKWFXIEIR-UHFFFAOYSA-N 0 0 432.571 2.894 50 0 IFAARN COCCCNC(=O)[C@H](O[C@@H](C(=O)NCCCOC)c1ccccc1)c1ccccc1 ZINC000071769663 556887791 /nfs/dbraw/zinc/88/77/91/556887791.db2.gz DSGZECHHOYTDCO-FGZHOGPDSA-N 0 0 428.529 2.791 50 0 IFAARN O=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000033254489 556890636 /nfs/dbraw/zinc/89/06/36/556890636.db2.gz HWHZDEPYXYGBAL-UHFFFAOYSA-N 0 0 427.570 2.826 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CC(=O)N3CSC[C@H]3C2=O)cc1 ZINC000033249811 556891127 /nfs/dbraw/zinc/89/11/27/556891127.db2.gz QWFASNOVLWAIME-IBGZPJMESA-N 0 0 443.956 2.556 50 0 IFAARN O=C(COCc1nnc(C(=O)Nc2ccccc2)s1)N1CCN(c2ccccc2)CC1 ZINC000033256929 556895433 /nfs/dbraw/zinc/89/54/33/556895433.db2.gz DUOIKAYWEHIHLD-UHFFFAOYSA-N 0 0 437.525 2.656 50 0 IFAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC000072119178 556898459 /nfs/dbraw/zinc/89/84/59/556898459.db2.gz PRFKPHQHLXVOKZ-UHFFFAOYSA-N 0 0 441.479 2.607 50 0 IFAARN Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)nnn3C(C)C)cc1 ZINC000033262931 556901099 /nfs/dbraw/zinc/90/10/99/556901099.db2.gz PNLJNNOLDKEIJY-NRFANRHFSA-N 0 0 441.557 2.790 50 0 IFAARN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033263206 556901416 /nfs/dbraw/zinc/90/14/16/556901416.db2.gz FDAHIMUCXXRSBK-CYBMUJFWSA-N 0 0 433.509 2.698 50 0 IFAARN CC(C)NC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000033263553 556901982 /nfs/dbraw/zinc/90/19/82/556901982.db2.gz GUIADPCRXDLVQM-LBPRGKRZSA-N 0 0 435.937 2.821 50 0 IFAARN COc1cc(CN2CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)cc(OC)c1 ZINC000019771224 556913059 /nfs/dbraw/zinc/91/30/59/556913059.db2.gz HSLFARILWHCVKR-FQEVSTJZSA-N 0 0 428.529 2.544 50 0 IFAARN CCOc1ccc(CN2CCN(Cc3ccc(OC)cc3F)[C@@H](CCO)C2)cc1CO ZINC000019787179 556914193 /nfs/dbraw/zinc/91/41/93/556914193.db2.gz SZHYSHOQILTSLR-NRFANRHFSA-N 0 0 432.536 2.794 50 0 IFAARN CCCS(=O)(=O)c1ncc(CN2CCN(C3CCCCC3)CC2)n1C[C@H]1CCCO1 ZINC000019787907 556914208 /nfs/dbraw/zinc/91/42/08/556914208.db2.gz XSXHTIHHQMVHJY-OAQYLSRUSA-N 0 0 438.638 2.696 50 0 IFAARN CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2c[nH]c3ccccc23)cc1 ZINC000019820958 556924181 /nfs/dbraw/zinc/92/41/81/556924181.db2.gz JWSAZBZGNJQFGO-VXKWHMMOSA-N 0 0 446.594 2.502 50 0 IFAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccccc1O ZINC000019842866 556930148 /nfs/dbraw/zinc/93/01/48/556930148.db2.gz JAZYYPMQMVVBAX-UHFFFAOYSA-N 0 0 425.514 2.536 50 0 IFAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019866352 556934487 /nfs/dbraw/zinc/93/44/87/556934487.db2.gz LIUBBTLNNWTSRH-UHFFFAOYSA-N 0 0 439.331 2.684 50 0 IFAARN COc1cc(OC)c(OC)cc1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000019889942 556938922 /nfs/dbraw/zinc/93/89/22/556938922.db2.gz WSJGUTMTCHFBRO-UHFFFAOYSA-N 0 0 440.949 2.872 50 0 IFAARN CC(=O)CSc1nnc(-c2nnn(Cc3ccc(Cl)cc3)c2N)n1C[C@@H]1CCCO1 ZINC000019897431 556940638 /nfs/dbraw/zinc/94/06/38/556940638.db2.gz LTFDVCTWYXQHIV-HNNXBMFYSA-N 0 0 447.952 2.681 50 0 IFAARN O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000019902773 556942268 /nfs/dbraw/zinc/94/22/68/556942268.db2.gz HDCVTGMPTXIULD-QFIPXVFZSA-N 0 0 427.570 2.574 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000019908900 556942939 /nfs/dbraw/zinc/94/29/39/556942939.db2.gz BSRPOOAJAUDNOT-QFIPXVFZSA-N 0 0 440.565 2.894 50 0 IFAARN O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019920635 556943950 /nfs/dbraw/zinc/94/39/50/556943950.db2.gz NVYLJMJIVWXQST-KRWDZBQOSA-N 0 0 441.915 2.766 50 0 IFAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1SCC(N)=O ZINC000019947419 556954427 /nfs/dbraw/zinc/95/44/27/556954427.db2.gz JIEJIVOJDCQHMH-UHFFFAOYSA-N 0 0 445.570 2.505 50 0 IFAARN Cc1ccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1C ZINC000019991820 556957035 /nfs/dbraw/zinc/95/70/35/556957035.db2.gz CKXXQHCCWFDJGY-JXMROGBWSA-N 0 0 441.597 2.927 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020029412 556968433 /nfs/dbraw/zinc/96/84/33/556968433.db2.gz OGSIYSLYFZJQBT-HXUWFJFHSA-N 0 0 444.532 2.881 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000020030364 556968652 /nfs/dbraw/zinc/96/86/52/556968652.db2.gz KXSROBQZJVCMNP-UHFFFAOYSA-N 0 0 441.597 2.592 50 0 IFAARN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Br)cc2F)Oc2ccccc21 ZINC000020041363 556971914 /nfs/dbraw/zinc/97/19/14/556971914.db2.gz ZDCJQPKJOUZYBI-OAHLLOKOSA-N 0 0 429.267 2.754 50 0 IFAARN COc1cccc(C(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)c1OC ZINC000072433982 556972298 /nfs/dbraw/zinc/97/22/98/556972298.db2.gz VAQMIRNXQWRUCP-UHFFFAOYSA-N 0 0 434.500 2.903 50 0 IFAARN Cc1ncn(-c2cc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nc(C)n2)c1C ZINC000072446823 556973388 /nfs/dbraw/zinc/97/33/88/556973388.db2.gz GARVOOZKFJXJEW-UHFFFAOYSA-N 0 0 440.935 2.969 50 0 IFAARN COCCn1ccc2c(cnc3nc(SCc4ccc5c(c4)OCCCO5)nn32)c1=O ZINC000072460769 556973747 /nfs/dbraw/zinc/97/37/47/556973747.db2.gz WJENYULJVJGBOH-UHFFFAOYSA-N 0 0 439.497 2.539 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3C)c(C)s2)no1 ZINC000033263996 556973772 /nfs/dbraw/zinc/97/37/72/556973772.db2.gz UBNQOYGWSDCKHH-UHFFFAOYSA-N 0 0 434.543 2.572 50 0 IFAARN Cc1ccc(-n2nc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)ccc2=O)cc1 ZINC000033264897 556974795 /nfs/dbraw/zinc/97/47/95/556974795.db2.gz MWLTZKROXXAWNU-UHFFFAOYSA-N 0 0 433.468 2.624 50 0 IFAARN Cn1cc2nc(SCC(=O)NCc3ccc(F)cc3)n(Cc3ccccc3)c(=O)c2n1 ZINC000033265300 556975307 /nfs/dbraw/zinc/97/53/07/556975307.db2.gz HFDYLNGOMBFIIY-UHFFFAOYSA-N 0 0 437.500 2.726 50 0 IFAARN COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)n2)cc1OC ZINC000097001954 556978588 /nfs/dbraw/zinc/97/85/88/556978588.db2.gz WIWRGCMYNZUBNB-HNNXBMFYSA-N 0 0 447.517 2.662 50 0 IFAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccn4)C3)ccc21 ZINC000033267279 556981829 /nfs/dbraw/zinc/98/18/29/556981829.db2.gz HDCGBMAMTWSVTA-GOSISDBHSA-N 0 0 426.542 2.773 50 0 IFAARN COCCn1c2ccccc2n2nc(C(=O)NCCc3c[nH]c4ccccc34)cc2c1=O ZINC000097088834 556983479 /nfs/dbraw/zinc/98/34/79/556983479.db2.gz FPYCFMBFLAURAX-UHFFFAOYSA-N 0 0 429.480 2.749 50 0 IFAARN O=C(NCCN1CCOCC1)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000020109796 556984855 /nfs/dbraw/zinc/98/48/55/556984855.db2.gz GQDSRIHKNTXKJJ-UHFFFAOYSA-N 0 0 432.318 2.763 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)N(C)Cc3ccc4c(c3)OCCO4)c(C)n2n1 ZINC000023055994 556988951 /nfs/dbraw/zinc/98/89/51/556988951.db2.gz HGIFTXVRSSPYEF-UHFFFAOYSA-N 0 0 427.530 2.825 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)CC2)cc1 ZINC000097151801 556993050 /nfs/dbraw/zinc/99/30/50/556993050.db2.gz GTOYRYVIBQKXIX-QFIPXVFZSA-N 0 0 449.486 2.854 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000023074158 556993615 /nfs/dbraw/zinc/99/36/15/556993615.db2.gz UHLXVTQTXAMCAI-FQEVSTJZSA-N 0 0 446.525 2.706 50 0 IFAARN COCCOc1ccc([C@H](C)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1OC ZINC000097165378 556994507 /nfs/dbraw/zinc/99/45/07/556994507.db2.gz MVDWKEZHKFBTAX-KRWDZBQOSA-N 0 0 442.512 2.968 50 0 IFAARN COCCCn1c(CN(C)C[C@H]2CCCCN2C)cnc1S(=O)(=O)C1CCCC1 ZINC000020256116 557003634 /nfs/dbraw/zinc/00/36/34/557003634.db2.gz SJOXLSYDRHQVRM-GOSISDBHSA-N 0 0 426.627 2.552 50 0 IFAARN O=C([C@@H]1CC(Cc2cccc(F)c2)=NO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020293624 557006002 /nfs/dbraw/zinc/00/60/02/557006002.db2.gz DYQVVHAFWFBLDZ-QFIPXVFZSA-N 0 0 425.460 2.586 50 0 IFAARN COc1ccccc1[C@@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1CCN1CCOCC1 ZINC000020308195 557006594 /nfs/dbraw/zinc/00/65/94/557006594.db2.gz PSDFMXZLTXNLCP-OAQYLSRUSA-N 0 0 438.455 2.818 50 0 IFAARN COc1cccc(N2CCN(C(=O)CCn3cnc4c5cc(C)ccc5[nH]c4c3=O)CC2)c1 ZINC000023125632 557007354 /nfs/dbraw/zinc/00/73/54/557007354.db2.gz PDKMLMQHQKEAIH-UHFFFAOYSA-N 0 0 445.523 2.934 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 ZINC000020354175 557009766 /nfs/dbraw/zinc/00/97/66/557009766.db2.gz RQDXLWJUUMFQKK-IBGZPJMESA-N 0 0 448.523 2.875 50 0 IFAARN O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020356875 557011129 /nfs/dbraw/zinc/01/11/29/557011129.db2.gz JEKXJNHMXUCZOZ-UHFFFAOYSA-N 0 0 432.480 2.516 50 0 IFAARN C[C@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000006144361 557011847 /nfs/dbraw/zinc/01/18/47/557011847.db2.gz YPCKKXIXFOIBBD-VIFPVBQESA-N 0 0 432.285 2.944 50 0 IFAARN CCOc1ccc(CCC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1 ZINC000097001683 557014077 /nfs/dbraw/zinc/01/40/77/557014077.db2.gz KBVJDJRSTZHRRR-UHFFFAOYSA-N 0 0 427.520 2.731 50 0 IFAARN COc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br ZINC000020419446 557014981 /nfs/dbraw/zinc/01/49/81/557014981.db2.gz OXIPMXFTCUAWDT-UHFFFAOYSA-N 0 0 425.348 2.964 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1nc(SC)c(S(=O)(=O)c2ccccc2)c1N ZINC000045986717 557016197 /nfs/dbraw/zinc/01/61/97/557016197.db2.gz WWCDZHQZIWUTIY-UHFFFAOYSA-N 0 0 446.554 2.976 50 0 IFAARN CC[C@H](C)C(=O)C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000023129645 557018155 /nfs/dbraw/zinc/01/81/55/557018155.db2.gz CYHWKDZTWLHOEJ-GHTZIAJQSA-N 0 0 443.563 2.714 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 ZINC000023135444 557018528 /nfs/dbraw/zinc/01/85/28/557018528.db2.gz CYVVAGVMUDVVMJ-UHFFFAOYSA-N 0 0 438.875 2.765 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 ZINC000010692578 557018775 /nfs/dbraw/zinc/01/87/75/557018775.db2.gz WQMOEXHREZHMPC-CQSZACIVSA-N 0 0 439.921 2.591 50 0 IFAARN Cn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1cccn(C)c1=O ZINC000023136228 557018765 /nfs/dbraw/zinc/01/87/65/557018765.db2.gz CDLCTJJSPAYQPF-UHFFFAOYSA-N 0 0 439.419 2.810 50 0 IFAARN Cc1nc2sccn2c1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000023141417 557023340 /nfs/dbraw/zinc/02/33/40/557023340.db2.gz METLKOXWTOJTTK-UHFFFAOYSA-N 0 0 428.499 2.959 50 0 IFAARN O=C(Cn1nc2c(c1NC(=O)c1c(F)cccc1Cl)CSC2)NC[C@@H]1CCCO1 ZINC000023139224 557024009 /nfs/dbraw/zinc/02/40/09/557024009.db2.gz MULVDEXYOJGMCH-NSHDSACASA-N 0 0 438.912 2.970 50 0 IFAARN C[C@H]1Cc2ccccc2N1CCNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000072045467 557024285 /nfs/dbraw/zinc/02/42/85/557024285.db2.gz BMHPFMDTJIJYEX-AWEZNQCLSA-N 0 0 444.329 2.742 50 0 IFAARN C[C@H](OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccccc21 ZINC000010762364 557025162 /nfs/dbraw/zinc/02/51/62/557025162.db2.gz METCLUOCTPUFBM-AWEZNQCLSA-N 0 0 443.477 2.918 50 0 IFAARN Cc1nc(NCCNS(=O)(=O)c2ccc3cccc4c3c2CC4)cc(-n2cccn2)n1 ZINC000023144518 557026214 /nfs/dbraw/zinc/02/62/14/557026214.db2.gz AZRBDUABLRYZNH-UHFFFAOYSA-N 0 0 434.525 2.613 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1 ZINC000023145062 557026892 /nfs/dbraw/zinc/02/68/92/557026892.db2.gz VEEOAALVFKKBKH-UHFFFAOYSA-N 0 0 446.554 2.868 50 0 IFAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000010783193 557027146 /nfs/dbraw/zinc/02/71/46/557027146.db2.gz HOCQYYWXDHCQAW-UHFFFAOYSA-N 0 0 441.837 2.942 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C)cc3C)c(C)cc2NC1=O ZINC000046056171 557027198 /nfs/dbraw/zinc/02/71/98/557027198.db2.gz AGPNYZGXSAQLIS-SFHVURJKSA-N 0 0 445.541 2.981 50 0 IFAARN O=C(OCCOc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000010793631 557027402 /nfs/dbraw/zinc/02/74/02/557027402.db2.gz VDHJOLYHJXMDSG-UHFFFAOYSA-N 0 0 443.880 2.736 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@@H](C(=O)NCCc3ccco3)C2)c1C ZINC000046046509 557027708 /nfs/dbraw/zinc/02/77/08/557027708.db2.gz JRKFZRFPMAEUFE-GOSISDBHSA-N 0 0 443.544 2.931 50 0 IFAARN COc1cccc(-n2ccn3c(SCC(=O)NCc4ccc(C)cc4)nnc3c2=O)c1 ZINC000046047551 557028045 /nfs/dbraw/zinc/02/80/45/557028045.db2.gz MMHONDREHCGOSU-UHFFFAOYSA-N 0 0 435.509 2.606 50 0 IFAARN CCOc1ccc(-n2ccn3c(SCC(=O)NCc4ccccc4)nnc3c2=O)cc1 ZINC000046047796 557028436 /nfs/dbraw/zinc/02/84/36/557028436.db2.gz GNLISHWDBPTHNT-UHFFFAOYSA-N 0 0 435.509 2.687 50 0 IFAARN Cn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N[C@H]1CCCc2ccccc21 ZINC000032946582 557032314 /nfs/dbraw/zinc/03/23/14/557032314.db2.gz MOHIYHWRLBUBCS-INIZCTEOSA-N 0 0 430.555 2.507 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2Cc1ccco1 ZINC000046077275 557032968 /nfs/dbraw/zinc/03/29/68/557032968.db2.gz JRNJOTFZYPDLHI-UHFFFAOYSA-N 0 0 439.855 2.996 50 0 IFAARN COc1cc(Cl)c(C)cc1NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000010833740 557033113 /nfs/dbraw/zinc/03/31/13/557033113.db2.gz CZSAWLYGOSMZDX-AWEZNQCLSA-N 0 0 426.922 2.878 50 0 IFAARN COc1cc2c(cc1C(=O)Nc1ccc(OCCN3CCOCC3)cc1)OCCCO2 ZINC000046077946 557033539 /nfs/dbraw/zinc/03/35/39/557033539.db2.gz VCFVWZQXYVZNSK-UHFFFAOYSA-N 0 0 428.485 2.820 50 0 IFAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccccc2)c1=O)N1CCCc2ccccc21 ZINC000017189709 557035706 /nfs/dbraw/zinc/03/57/06/557035706.db2.gz NNFJZVKZFVBKRU-UHFFFAOYSA-N 0 0 426.476 2.586 50 0 IFAARN COc1ccc2c(COC(=O)c3ccccc3S(=O)(=O)NC(C)C)cc(=O)oc2c1 ZINC000032947112 557040008 /nfs/dbraw/zinc/04/00/08/557040008.db2.gz MLRMFSPEJQVZCK-UHFFFAOYSA-N 0 0 431.466 2.845 50 0 IFAARN O=C(CCC(=O)N1CCN(CCc2ccccc2)CC1)Nc1nnc(C(F)(F)F)s1 ZINC000017246155 557041343 /nfs/dbraw/zinc/04/13/43/557041343.db2.gz BVZDIGHYANPZKU-UHFFFAOYSA-N 0 0 441.479 2.663 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@H]3C)CC1 ZINC000017247564 557042044 /nfs/dbraw/zinc/04/20/44/557042044.db2.gz ZBTWAJOYLAQBCO-INIZCTEOSA-N 0 0 441.553 2.602 50 0 IFAARN CC(=O)Nc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)ccc1C ZINC000046141573 557042402 /nfs/dbraw/zinc/04/24/02/557042402.db2.gz XYOMAAUWLWGASZ-UHFFFAOYSA-N 0 0 429.542 2.845 50 0 IFAARN O=C(CN1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1)N1CCCC1 ZINC000023178937 557043462 /nfs/dbraw/zinc/04/34/62/557043462.db2.gz OOCHNZJPBNUGKI-UHFFFAOYSA-N 0 0 430.936 2.694 50 0 IFAARN Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2cncc(Br)c2)c(C)c1 ZINC000010864106 557043600 /nfs/dbraw/zinc/04/36/00/557043600.db2.gz YQEOYCUORDCFIQ-UHFFFAOYSA-N 0 0 434.290 2.681 50 0 IFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)/C=C/c3ccccc3OC)CC2)cc1 ZINC000046145439 557043706 /nfs/dbraw/zinc/04/37/06/557043706.db2.gz RHYLMVUOELFJLK-KPKJPENVSA-N 0 0 430.526 2.687 50 0 IFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(Cl)cc3OC)CC2)cc1 ZINC000046145407 557043755 /nfs/dbraw/zinc/04/37/55/557043755.db2.gz KTOZWXMQKIWYGV-UHFFFAOYSA-N 0 0 438.933 2.940 50 0 IFAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)c(F)c4)cc32)no1 ZINC000046145550 557043986 /nfs/dbraw/zinc/04/39/86/557043986.db2.gz HKRQKGGYMLXEHP-UHFFFAOYSA-N 0 0 432.433 2.552 50 0 IFAARN COc1cc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(C)CC2)cc(OC)c1OC ZINC000023181028 557045031 /nfs/dbraw/zinc/04/50/31/557045031.db2.gz ZCMQJXCCVGNOGG-QRWLVFNGSA-N 0 0 433.574 2.881 50 0 IFAARN CC1=NN(c2ccc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)cc2)CC1 ZINC000048236861 557047565 /nfs/dbraw/zinc/04/75/65/557047565.db2.gz ZOHDJVRIFQEVEU-UHFFFAOYSA-N 0 0 432.571 2.917 50 0 IFAARN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000048237851 557047998 /nfs/dbraw/zinc/04/79/98/557047998.db2.gz WHFVPXVFVRFMRF-QGZVFWFLSA-N 0 0 440.523 2.998 50 0 IFAARN O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000022926521 557048704 /nfs/dbraw/zinc/04/87/04/557048704.db2.gz HZFNKZKNKGXDCY-SFHVURJKSA-N 0 0 445.878 2.658 50 0 IFAARN CCc1ccc([C@H](C)NC(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000022929622 557049347 /nfs/dbraw/zinc/04/93/47/557049347.db2.gz WQKWQQRBVBUYLY-NJYVYQBISA-N 0 0 428.621 2.548 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000048262712 557049850 /nfs/dbraw/zinc/04/98/50/557049850.db2.gz QDBMTCJGDUIWFK-ZFGGDYGUSA-N 0 0 444.620 2.520 50 0 IFAARN CCOC(=O)[C@H](C)NC(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033273115 557051080 /nfs/dbraw/zinc/05/10/80/557051080.db2.gz UIPUTHAQOSPCJE-ZDUSSCGKSA-N 0 0 431.518 2.631 50 0 IFAARN C[C@H](c1nnnn1-c1ccccc1)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000048273530 557051174 /nfs/dbraw/zinc/05/11/74/557051174.db2.gz JULDTFXDRUHXBK-MRXNPFEDSA-N 0 0 425.514 2.574 50 0 IFAARN Cc1oc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000048254020 557052772 /nfs/dbraw/zinc/05/27/72/557052772.db2.gz UGEXAEWPFNENIH-UHFFFAOYSA-N 0 0 442.541 2.890 50 0 IFAARN CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2)cc1 ZINC000017315290 557053088 /nfs/dbraw/zinc/05/30/88/557053088.db2.gz UJSZRPFAYZALSH-UHFFFAOYSA-N 0 0 435.509 2.926 50 0 IFAARN CCOc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(CCc3ccccc3)c2=O)cc1 ZINC000017307922 557053805 /nfs/dbraw/zinc/05/38/05/557053805.db2.gz MRRSDWSQYCMIMN-UHFFFAOYSA-N 0 0 444.491 2.838 50 0 IFAARN CC(C)NC(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)NC3CCCCC3)CC1)n2C ZINC000033275824 557055304 /nfs/dbraw/zinc/05/53/04/557055304.db2.gz RKTLWWGBNIMHGM-UHFFFAOYSA-N 0 0 440.592 2.871 50 0 IFAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCNc1ncnc2sccc21 ZINC000048274916 557055918 /nfs/dbraw/zinc/05/59/18/557055918.db2.gz FBWDYXIVMVLKSZ-UHFFFAOYSA-N 0 0 431.827 2.754 50 0 IFAARN COc1ccc(NC(=O)COc2ccc(Br)cc2F)cc1NS(C)(=O)=O ZINC000022993598 557056354 /nfs/dbraw/zinc/05/63/54/557056354.db2.gz XBAADCHKHCWFQF-UHFFFAOYSA-N 0 0 447.282 2.986 50 0 IFAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC([C@@H](O)c3ccccc3)CC1)C2=O ZINC000048285862 557058121 /nfs/dbraw/zinc/05/81/21/557058121.db2.gz FDBPCJUTUDNBMA-LBVATQBMSA-N 0 0 427.545 2.849 50 0 IFAARN O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)Nc1ccccc1F ZINC000033277133 557058119 /nfs/dbraw/zinc/05/81/19/557058119.db2.gz PUOIJTSYGYYLDS-UHFFFAOYSA-N 0 0 429.521 2.842 50 0 IFAARN O=C(COC(=O)CSc1nc2ccccc2o1)Nc1ccc(N2CCOCC2)cc1 ZINC000023030009 557058434 /nfs/dbraw/zinc/05/84/34/557058434.db2.gz PJMFVDISEMQAPW-UHFFFAOYSA-N 0 0 427.482 2.938 50 0 IFAARN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000048304140 557059103 /nfs/dbraw/zinc/05/91/03/557059103.db2.gz LLYKCUIZDSTIHQ-LJQANCHMSA-N 0 0 437.521 2.976 50 0 IFAARN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000048304142 557059278 /nfs/dbraw/zinc/05/92/78/557059278.db2.gz LLYKCUIZDSTIHQ-IBGZPJMESA-N 0 0 437.521 2.976 50 0 IFAARN O=C(COc1ccc(Cl)cc1Cl)NCCS(=O)(=O)N1CCc2ccccc21 ZINC000010875992 557059799 /nfs/dbraw/zinc/05/97/99/557059799.db2.gz JDNUGWBEVWFNPS-UHFFFAOYSA-N 0 0 429.325 2.881 50 0 IFAARN CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000048309432 557059843 /nfs/dbraw/zinc/05/98/43/557059843.db2.gz JMECWIFXTNSHJA-KRWDZBQOSA-N 0 0 433.549 2.921 50 0 IFAARN CCCCCCN(CCN1CCOCC1)S(=O)(=O)c1cc(NC(C)=O)ccc1C ZINC000048310061 557060149 /nfs/dbraw/zinc/06/01/49/557060149.db2.gz UYBRGCDSFYZYOT-UHFFFAOYSA-N 0 0 425.595 2.857 50 0 IFAARN CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)c1 ZINC000023056182 557060755 /nfs/dbraw/zinc/06/07/55/557060755.db2.gz ALDQXZOQACUZJR-INIZCTEOSA-N 0 0 433.530 2.849 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)c1ccc2c(c1)CCCC2 ZINC000023057664 557061084 /nfs/dbraw/zinc/06/10/84/557061084.db2.gz RMJXZOQWYHHCNZ-LEWJYISDSA-N 0 0 440.632 2.761 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccnc4)C3)c2)no1 ZINC000033279134 557061050 /nfs/dbraw/zinc/06/10/50/557061050.db2.gz VSUYBYRILOLZBH-ZDUSSCGKSA-N 0 0 433.515 2.541 50 0 IFAARN C[C@H](NC(=O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1)c1ccc2c(c1)CCCC2 ZINC000023057661 557061135 /nfs/dbraw/zinc/06/11/35/557061135.db2.gz RMJXZOQWYHHCNZ-RTWAWAEBSA-N 0 0 440.632 2.761 50 0 IFAARN O=C(NCc1ccc(-n2cncn2)nc1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000048299994 557062005 /nfs/dbraw/zinc/06/20/05/557062005.db2.gz GEEAPVWWJQJFOE-OAHLLOKOSA-N 0 0 431.422 2.609 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)C1 ZINC000033279489 557062250 /nfs/dbraw/zinc/06/22/50/557062250.db2.gz AXNWABXXOOEYGV-CQSZACIVSA-N 0 0 438.575 2.993 50 0 IFAARN CN1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)[C@H](c2ccccc2)C1 ZINC000048301020 557062675 /nfs/dbraw/zinc/06/26/75/557062675.db2.gz UVBCXRNKICULBX-IBGZPJMESA-N 0 0 441.329 2.674 50 0 IFAARN O=C(CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)Nc1nccs1 ZINC000048301830 557063104 /nfs/dbraw/zinc/06/31/04/557063104.db2.gz NANJBKKFWVDREY-UHFFFAOYSA-N 0 0 427.935 2.638 50 0 IFAARN Cc1ccc(C)c(Cn2nc3n(c4cn(C)nc4c(=O)n3Cc3ccc(Cl)cc3)c2=O)c1 ZINC000033280864 557063227 /nfs/dbraw/zinc/06/32/27/557063227.db2.gz OUJVYVVXAHLXQB-UHFFFAOYSA-N 0 0 448.914 2.911 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)Cn2c3ccccc3c(NC3CCCC3)nc2=O)cc1 ZINC000033287472 557064741 /nfs/dbraw/zinc/06/47/41/557064741.db2.gz IYNMFKVMVNFRAY-UHFFFAOYSA-N 0 0 440.525 2.793 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4nc(C)no4)c(=O)c32)cc1 ZINC000033280911 557066824 /nfs/dbraw/zinc/06/68/24/557066824.db2.gz DRWSZFGITJLUQN-UHFFFAOYSA-N 0 0 444.451 2.738 50 0 IFAARN CCN(CC)Cc1nc(C2(NS(=O)(=O)c3ccc(OC)c(F)c3)CCCC2)no1 ZINC000048313182 557067377 /nfs/dbraw/zinc/06/73/77/557067377.db2.gz AOQGSRHEMLXBKQ-UHFFFAOYSA-N 0 0 426.514 2.807 50 0 IFAARN COc1ccc(/C=C/c2nc(Cn3cnc(S(=O)(=O)N4CCCCC4)c3)no2)cc1 ZINC000033281602 557067447 /nfs/dbraw/zinc/06/74/47/557067447.db2.gz FRHAAOXENUTLMW-JXMROGBWSA-N 0 0 429.502 2.668 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000048333672 557068551 /nfs/dbraw/zinc/06/85/51/557068551.db2.gz JIEQYFBULUHBLI-UHFFFAOYSA-N 0 0 447.967 2.735 50 0 IFAARN O=C(Nc1cccc(-c2nnco2)c1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000048326867 557069216 /nfs/dbraw/zinc/06/92/16/557069216.db2.gz VDTFVPGOWZZDTH-UHFFFAOYSA-N 0 0 445.476 2.851 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cncc(Br)c1 ZINC000017360448 557069394 /nfs/dbraw/zinc/06/93/94/557069394.db2.gz AYIQYKOQPUKWSM-UHFFFAOYSA-N 0 0 426.292 2.587 50 0 IFAARN Cc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(S(C)(=O)=O)cc4)C3)o2)c1 ZINC000033291419 557069524 /nfs/dbraw/zinc/06/95/24/557069524.db2.gz FGQJXOOHWVTNHC-OAHLLOKOSA-N 0 0 440.481 2.554 50 0 IFAARN CCN(CC)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 ZINC000048340989 557070626 /nfs/dbraw/zinc/07/06/26/557070626.db2.gz UEYKMSUFMQLXDP-UHFFFAOYSA-N 0 0 435.525 2.605 50 0 IFAARN C[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000023223030 557074477 /nfs/dbraw/zinc/07/44/77/557074477.db2.gz HUUCZBYUQIUSCO-CQSZACIVSA-N 0 0 446.554 2.549 50 0 IFAARN COc1ccccc1CNC(=O)c1nc(Cn2nc(-c3ccc(C)cc3)ccc2=O)no1 ZINC000033292430 557075561 /nfs/dbraw/zinc/07/55/61/557075561.db2.gz CRTIPZJNMXTIGX-UHFFFAOYSA-N 0 0 431.452 2.589 50 0 IFAARN COc1cccc(CNC(=O)c2nc(Cn3nc(-c4ccc(C)cc4)ccc3=O)no2)c1 ZINC000033292431 557075604 /nfs/dbraw/zinc/07/56/04/557075604.db2.gz NEMKGFABOSKXLZ-UHFFFAOYSA-N 0 0 431.452 2.589 50 0 IFAARN COC(=O)c1cc(Cl)c(NC(=O)NCc2ccnc(N3CCOCC3)c2)cc1OC ZINC000048368513 557075660 /nfs/dbraw/zinc/07/56/60/557075660.db2.gz XBBVCDQAVCNZDJ-UHFFFAOYSA-N 0 0 434.880 2.689 50 0 IFAARN CCCCNC(=O)CN1CCN(Cn2nc(-c3ccccc3Cl)n(C)c2=S)CC1 ZINC000023257103 557079513 /nfs/dbraw/zinc/07/95/13/557079513.db2.gz IUQKNDJPLMFCMX-UHFFFAOYSA-N 0 0 437.013 2.763 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2nc3ccc(Sc4ccc(C)cc4)nn3c2=O)cc1 ZINC000049001645 557081174 /nfs/dbraw/zinc/08/11/74/557081174.db2.gz MYMNTZFTEUOBRH-UHFFFAOYSA-N 0 0 449.492 2.776 50 0 IFAARN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000010894983 557081775 /nfs/dbraw/zinc/08/17/75/557081775.db2.gz HQEOJTIPJMKQOY-IBGZPJMESA-N 0 0 428.510 2.738 50 0 IFAARN COc1cc(NC(=O)CSc2nnc3c4sc(N(C)C)nc4ncn23)cc(OC)c1 ZINC000033300854 557082705 /nfs/dbraw/zinc/08/27/05/557082705.db2.gz AISIOISSUFWDHJ-UHFFFAOYSA-N 0 0 445.530 2.548 50 0 IFAARN O=C(Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033300960 557083047 /nfs/dbraw/zinc/08/30/47/557083047.db2.gz NVKGKABOLZRXAN-UHFFFAOYSA-N 0 0 449.530 2.875 50 0 IFAARN O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000023325266 557084160 /nfs/dbraw/zinc/08/41/60/557084160.db2.gz KBIUKKSKKJFTPH-UHFFFAOYSA-N 0 0 441.513 2.640 50 0 IFAARN O=c1n2cccc(S(=O)(=O)N3CCCCC3)c2nn1Cc1cccc(C(F)(F)F)c1 ZINC000049006292 557084850 /nfs/dbraw/zinc/08/48/50/557084850.db2.gz PJSDFSCHYQBFRV-UHFFFAOYSA-N 0 0 440.447 2.738 50 0 IFAARN Cc1nnsc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000023338694 557085085 /nfs/dbraw/zinc/08/50/85/557085085.db2.gz ITRWCZAVLOXVDF-HXUWFJFHSA-N 0 0 441.601 2.823 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1nc2c(Oc3cccc(OC)c3)nccn2c1=O ZINC000049008402 557086219 /nfs/dbraw/zinc/08/62/19/557086219.db2.gz BUJXLTNRNLBLHG-UHFFFAOYSA-N 0 0 435.440 2.729 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nccn3c2=O)c(OC)c1 ZINC000049008287 557086235 /nfs/dbraw/zinc/08/62/35/557086235.db2.gz DAXZIVQWQGAOKS-UHFFFAOYSA-N 0 0 435.440 2.648 50 0 IFAARN O=C(c1ccc(F)cc1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023359268 557087582 /nfs/dbraw/zinc/08/75/82/557087582.db2.gz GTJHWDBIRDXEQZ-OAQYLSRUSA-N 0 0 425.504 2.977 50 0 IFAARN O=C(CNC(=O)c1c[nH]c2ccccc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000049027858 557088370 /nfs/dbraw/zinc/08/83/70/557088370.db2.gz DFKBMZVQYLECMN-UHFFFAOYSA-N 0 0 431.418 2.660 50 0 IFAARN COc1ccccc1OCCNC(=O)Cn1c(=O)c2ccccc2nc1N1CCCCC1 ZINC000033308575 557089163 /nfs/dbraw/zinc/08/91/63/557089163.db2.gz YEYGZNFCQBTBQW-UHFFFAOYSA-N 0 0 436.512 2.591 50 0 IFAARN O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000023385215 557090377 /nfs/dbraw/zinc/09/03/77/557090377.db2.gz PZFGTYBMYTWYIS-XMMPIXPASA-N 0 0 433.508 2.908 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1nc2c3sc(N4CCCC4)nc3ncn2c1=O ZINC000033309160 557090638 /nfs/dbraw/zinc/09/06/38/557090638.db2.gz BEKDKMOVSIMZSN-UHFFFAOYSA-N 0 0 437.529 2.610 50 0 IFAARN O=C(Cn1nc2c3sc(N4CCCC4)nc3ncn2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000033309140 557090642 /nfs/dbraw/zinc/09/06/42/557090642.db2.gz ARKUSRUJMSYUKO-UHFFFAOYSA-N 0 0 447.883 2.532 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1 ZINC000011330563 557091203 /nfs/dbraw/zinc/09/12/03/557091203.db2.gz VOTXKWPTDLCRKH-UHFFFAOYSA-N 0 0 440.468 2.833 50 0 IFAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000023411663 557091731 /nfs/dbraw/zinc/09/17/31/557091731.db2.gz WFGLEYDWCYXWTG-NRFANRHFSA-N 0 0 433.512 2.593 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](c3nccn3C)c3cccc(F)c3)ccc21 ZINC000017522031 557092986 /nfs/dbraw/zinc/09/29/86/557092986.db2.gz GWSDATIGIZBCJB-HXUWFJFHSA-N 0 0 428.489 2.536 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c4sc(N5CCCCC5)nc4ncn3c2=O)c(F)c1 ZINC000033309336 557093003 /nfs/dbraw/zinc/09/30/03/557093003.db2.gz WUDKRVZVXPATPD-UHFFFAOYSA-N 0 0 441.492 2.577 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3ccc(-c4ccc(C)c(C)c4)nn3c2=O)cc1OC ZINC000049399259 557095340 /nfs/dbraw/zinc/09/53/40/557095340.db2.gz DJBYVAWVEVCQBQ-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c1C ZINC000023539982 557096785 /nfs/dbraw/zinc/09/67/85/557096785.db2.gz UUZMAVUBNKHCAW-UHFFFAOYSA-N 0 0 440.905 2.582 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 ZINC000010913259 557098051 /nfs/dbraw/zinc/09/80/51/557098051.db2.gz ZDINXNNDWMCSFY-UHFFFAOYSA-N 0 0 437.452 2.604 50 0 IFAARN COc1cc(CCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1OC ZINC000023561139 557098684 /nfs/dbraw/zinc/09/86/84/557098684.db2.gz YTQLOHUVSOYVLJ-FQEVSTJZSA-N 0 0 446.519 2.974 50 0 IFAARN COc1ccc(CCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCS2)cc1OC ZINC000049403735 557099504 /nfs/dbraw/zinc/09/95/04/557099504.db2.gz OQWBMHJAUGREPP-UHFFFAOYSA-N 0 0 425.510 2.882 50 0 IFAARN COc1ccc(NC(=O)CSCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000011340660 557100814 /nfs/dbraw/zinc/10/08/14/557100814.db2.gz RYUKDRFHMJZUCW-UHFFFAOYSA-N 0 0 436.555 2.588 50 0 IFAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(N(C)C)c4)CC3)nn2)cc1 ZINC000049405971 557100905 /nfs/dbraw/zinc/10/09/05/557100905.db2.gz KGFYIKVNMKIHLQ-UHFFFAOYSA-N 0 0 432.528 2.676 50 0 IFAARN O=C(NC1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1)c1ccc2ccccc2n1 ZINC000049405802 557100931 /nfs/dbraw/zinc/10/09/31/557100931.db2.gz DDOSNEKHGVWQQC-UHFFFAOYSA-N 0 0 426.480 2.850 50 0 IFAARN CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000072191685 557101208 /nfs/dbraw/zinc/10/12/08/557101208.db2.gz QBJXCLAVMIDPJF-LBPRGKRZSA-N 0 0 446.558 2.985 50 0 IFAARN COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)cc1 ZINC000049406339 557101603 /nfs/dbraw/zinc/10/16/03/557101603.db2.gz IKQBHJSUNFVOBK-UHFFFAOYSA-N 0 0 433.512 2.927 50 0 IFAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023640478 557101796 /nfs/dbraw/zinc/10/17/96/557101796.db2.gz CBQULWHYVYSBBF-UHFFFAOYSA-N 0 0 438.981 2.691 50 0 IFAARN Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)Cc4cccs4)CC3)nn2)ccc1F ZINC000049406496 557101805 /nfs/dbraw/zinc/10/18/05/557101805.db2.gz VWZLJNVPFBZMNI-UHFFFAOYSA-N 0 0 427.505 2.740 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3ccc(OC)cc3)C2)c1C ZINC000085621050 557102515 /nfs/dbraw/zinc/10/25/15/557102515.db2.gz KTWNHCRDJBQBAN-KRWDZBQOSA-N 0 0 427.501 2.595 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)NCc4ccccc4Cl)c(=O)n3c(C)n2)cc1 ZINC000049407203 557102544 /nfs/dbraw/zinc/10/25/44/557102544.db2.gz PXZFAAFYJFIZFG-UHFFFAOYSA-N 0 0 437.887 2.845 50 0 IFAARN Cc1nc(-c2ccccn2)cc2nn(CC(=O)Nc3ccc(Br)cc3)c(=O)n21 ZINC000049407271 557102772 /nfs/dbraw/zinc/10/27/72/557102772.db2.gz MVEZRNDMRSEGMO-UHFFFAOYSA-N 0 0 439.273 2.663 50 0 IFAARN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)c(C)c1C(=O)OC(C)C ZINC000085621356 557102871 /nfs/dbraw/zinc/10/28/71/557102871.db2.gz FCBDVQCQDJGVTF-SFHVURJKSA-N 0 0 426.517 2.760 50 0 IFAARN CCCC1(CCC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2c(F)cccc2F)C1=O ZINC000023654204 557103536 /nfs/dbraw/zinc/10/35/36/557103536.db2.gz TWBBKVSRCSATJB-LBPRGKRZSA-N 0 0 425.432 2.726 50 0 IFAARN O=C(Cn1cccc(S(=O)(=O)N2CCCCC2)c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000049409048 557104065 /nfs/dbraw/zinc/10/40/65/557104065.db2.gz XGLRDHCBTXUSPQ-UHFFFAOYSA-N 0 0 443.447 2.680 50 0 IFAARN CSc1cccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)c1 ZINC000049409233 557104315 /nfs/dbraw/zinc/10/43/15/557104315.db2.gz IUDGLJPHLABVAG-UHFFFAOYSA-N 0 0 435.571 2.774 50 0 IFAARN Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)n1 ZINC000585147300 557104522 /nfs/dbraw/zinc/10/45/22/557104522.db2.gz QTUFOCMOFGCKNT-IBGZPJMESA-N 0 0 444.557 2.562 50 0 IFAARN O=C([C@H]1COc2ccccc2O1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000585147570 557105127 /nfs/dbraw/zinc/10/51/27/557105127.db2.gz YWWKCXZRMKGIEC-HSZRJFAPSA-N 0 0 431.492 2.989 50 0 IFAARN COc1c(F)c(F)cc(C(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)c1F ZINC000585147596 557105419 /nfs/dbraw/zinc/10/54/19/557105419.db2.gz CXTNDMUSSDVQDY-UHFFFAOYSA-N 0 0 441.431 2.576 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(F)cc4)n3c2=O)cc1F ZINC000049410653 557105863 /nfs/dbraw/zinc/10/58/63/557105863.db2.gz PXWNAQVTJLZTJZ-UHFFFAOYSA-N 0 0 440.410 2.869 50 0 IFAARN Cc1ccc(N2CCN(C(=O)c3cn(-c4cc(N5CCCCC5)ncn4)cn3)CC2)cc1 ZINC000049411193 557106105 /nfs/dbraw/zinc/10/61/05/557106105.db2.gz CSQMXFHPSXAHAG-UHFFFAOYSA-N 0 0 431.544 2.923 50 0 IFAARN O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1Br ZINC000585147719 557106314 /nfs/dbraw/zinc/10/63/14/557106314.db2.gz UKBWCINRXHCWRQ-UHFFFAOYSA-N 0 0 436.331 2.913 50 0 IFAARN Cc1ccc(N2CN(Cc3cc(=O)n4ccccc4n3)S(=O)(=O)c3cccnc32)cc1 ZINC000049411415 557106398 /nfs/dbraw/zinc/10/63/98/557106398.db2.gz LHSZSCKUCOVLJT-UHFFFAOYSA-N 0 0 433.493 2.698 50 0 IFAARN Cc1c(Cl)cccc1S(=O)(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O ZINC000585147768 557106652 /nfs/dbraw/zinc/10/66/52/557106652.db2.gz ZGACIAZFAZJBLB-UHFFFAOYSA-N 0 0 441.962 2.661 50 0 IFAARN O=C(Cc1c(F)cccc1Cl)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000585148496 557109457 /nfs/dbraw/zinc/10/94/57/557109457.db2.gz LTFFMEDZRRHMIS-UHFFFAOYSA-N 0 0 435.805 2.839 50 0 IFAARN CC(C)C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nnc2ccccn21 ZINC000409414881 557109971 /nfs/dbraw/zinc/10/99/71/557109971.db2.gz QMRVFTLYUYCNQY-ZWKOTPCHSA-N 0 0 434.500 2.838 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000023744595 557113728 /nfs/dbraw/zinc/11/37/28/557113728.db2.gz AEISDQDYAIIODK-RTBURBONSA-N 0 0 447.626 2.789 50 0 IFAARN Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 ZINC000011365335 557114035 /nfs/dbraw/zinc/11/40/35/557114035.db2.gz DROUPXXPDNUSLZ-IAGOWNOFSA-N 0 0 431.562 2.721 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c(=O)ccn(Cc2ccccc2Cl)c1=O ZINC000033331165 557114933 /nfs/dbraw/zinc/11/49/33/557114933.db2.gz ZYQDKTDMMCIVOF-QGZVFWFLSA-N 0 0 425.916 2.849 50 0 IFAARN O=S(=O)(c1cccc(F)c1)N1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000023805000 557116837 /nfs/dbraw/zinc/11/68/37/557116837.db2.gz QYBCPGOQELBDNX-UHFFFAOYSA-N 0 0 443.338 2.974 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2)C1 ZINC000049694051 557117982 /nfs/dbraw/zinc/11/79/82/557117982.db2.gz QWMZQYCCTBBJJI-HVJHFUJKSA-N 0 0 432.546 2.863 50 0 IFAARN COCc1c2ccccc2oc1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000023817755 557118045 /nfs/dbraw/zinc/11/80/45/557118045.db2.gz FYWLAVYQEBWYAC-UHFFFAOYSA-N 0 0 438.509 2.607 50 0 IFAARN COc1ccc([C@H](CNC(=O)c2ccc(CN3CCCC3=O)cc2)N2CCOCC2)cc1 ZINC000023817897 557118092 /nfs/dbraw/zinc/11/80/92/557118092.db2.gz LIJOTVDXJDJYMU-QHCPKHFHSA-N 0 0 437.540 2.621 50 0 IFAARN COc1ccc(S(=O)(=O)CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 ZINC000012232715 557119714 /nfs/dbraw/zinc/11/97/14/557119714.db2.gz IXTHGTAPACLQNL-UHFFFAOYSA-N 0 0 430.507 2.935 50 0 IFAARN CCOC(CCNC(=O)c1cn(CCOC)c(=O)c2c1c1ccccc1n2C)OCC ZINC000004788921 557119917 /nfs/dbraw/zinc/11/99/17/557119917.db2.gz WVBLLQGIZPQDQX-UHFFFAOYSA-N 0 0 429.517 2.659 50 0 IFAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)c1 ZINC000023863552 557120975 /nfs/dbraw/zinc/12/09/75/557120975.db2.gz QOMCDXOFRHWVGI-UHFFFAOYSA-N 0 0 429.853 2.873 50 0 IFAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000015927996 557121047 /nfs/dbraw/zinc/12/10/47/557121047.db2.gz AWCWGQQCOHENEG-UHFFFAOYSA-N 0 0 439.331 2.604 50 0 IFAARN O=C(Cc1cccc2ccccc21)NCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023873163 557122053 /nfs/dbraw/zinc/12/20/53/557122053.db2.gz ONZAKWUNKAUDQN-UHFFFAOYSA-N 0 0 443.547 2.778 50 0 IFAARN Cc1ccccc1-n1cnnc1SCC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000023873207 557122064 /nfs/dbraw/zinc/12/20/64/557122064.db2.gz VKWIXHOUUWPTRA-FQEVSTJZSA-N 0 0 437.569 2.685 50 0 IFAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3cnn(-c4ccccc4)c3)C2=O)cc1 ZINC000023882092 557123047 /nfs/dbraw/zinc/12/30/47/557123047.db2.gz ZVFDBSVMMHCGAE-DEOSSOPVSA-N 0 0 431.496 2.606 50 0 IFAARN O=C(CSc1ncnc2sccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023882737 557123390 /nfs/dbraw/zinc/12/33/90/557123390.db2.gz CKSQWHHUPCZNSE-UHFFFAOYSA-N 0 0 428.539 2.857 50 0 IFAARN CSc1ccc(S(=O)(=O)N2C(=O)CNc3ccccc32)cc1C(=O)N1CCCC1 ZINC000098087212 557123921 /nfs/dbraw/zinc/12/39/21/557123921.db2.gz YIANNSUGWSRARP-UHFFFAOYSA-N 0 0 431.539 2.792 50 0 IFAARN CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC000017815956 557124221 /nfs/dbraw/zinc/12/42/21/557124221.db2.gz GZBSKMUOLPLBKV-UHFFFAOYSA-N 0 0 429.420 2.610 50 0 IFAARN O=C(c1ccc(-n2cnnn2)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023907537 557124451 /nfs/dbraw/zinc/12/44/51/557124451.db2.gz FWCRMYBDHCONNF-UHFFFAOYSA-N 0 0 437.813 2.692 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@]2(c2ccccc2)NN1 ZINC000000646090 557124556 /nfs/dbraw/zinc/12/45/56/557124556.db2.gz DBQSJBLAPSLFFT-MGPUTAFESA-N 0 0 431.370 2.613 50 0 IFAARN COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NCCC(C)C)cc3)c(=O)c2cc1OC ZINC000004792628 557125732 /nfs/dbraw/zinc/12/57/32/557125732.db2.gz MSXTWGBRUDLCBM-UHFFFAOYSA-N 0 0 425.485 2.531 50 0 IFAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccccc2O)CC1 ZINC000023936101 557126514 /nfs/dbraw/zinc/12/65/14/557126514.db2.gz YGQXCEYZVAMSOC-UHFFFAOYSA-N 0 0 442.519 2.967 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)NC(=O)CCS3)C1=O ZINC000023945732 557126909 /nfs/dbraw/zinc/12/69/09/557126909.db2.gz YMVOYNQEVHXCCF-JOCHJYFZSA-N 0 0 438.509 2.709 50 0 IFAARN O=C(COc1ccccc1)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2 ZINC000008951543 557127763 /nfs/dbraw/zinc/12/77/63/557127763.db2.gz NOMIMWNSISPWEH-AWEZNQCLSA-N 0 0 448.566 2.561 50 0 IFAARN COC(=O)c1cc(=O)n(Cc2ccc(OC)cc2)/c(=N/Cc2ccc(OC)cc2)s1 ZINC000017918488 557128684 /nfs/dbraw/zinc/12/86/84/557128684.db2.gz YZFDEGCKTUKBBQ-FCQUAONHSA-N 0 0 426.494 2.863 50 0 IFAARN O=S(=O)(Cc1ccco1)[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000206695515 557128881 /nfs/dbraw/zinc/12/88/81/557128881.db2.gz AMBRUHDCHOCZSG-OAHLLOKOSA-N 0 0 439.433 2.556 50 0 IFAARN CCOc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000011375686 557129521 /nfs/dbraw/zinc/12/95/21/557129521.db2.gz HNLSGKXAQIQXAR-IBGZPJMESA-N 0 0 433.549 2.919 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)cc1F ZINC000011375683 557129529 /nfs/dbraw/zinc/12/95/29/557129529.db2.gz MUODTSRFRQKODY-NVXWUHKLSA-N 0 0 449.552 2.861 50 0 IFAARN CCOc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000011375691 557129610 /nfs/dbraw/zinc/12/96/10/557129610.db2.gz HNLSGKXAQIQXAR-LJQANCHMSA-N 0 0 433.549 2.919 50 0 IFAARN CC[C@]1(C)NC(=O)N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000023994647 557130485 /nfs/dbraw/zinc/13/04/85/557130485.db2.gz CIPDYEXPKDZSJK-VWLOTQADSA-N 0 0 434.540 2.641 50 0 IFAARN O=C(CNC(=O)c1cccc(Br)c1)Nc1ccc(CN2CCOCC2)cc1 ZINC000023995609 557131179 /nfs/dbraw/zinc/13/11/79/557131179.db2.gz GJSXINPDCGKDMG-UHFFFAOYSA-N 0 0 432.318 2.650 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(=O)OC)ccn3n2)cc1 ZINC000024007512 557131603 /nfs/dbraw/zinc/13/16/03/557131603.db2.gz HNNNWCSSVOJBAX-UHFFFAOYSA-N 0 0 446.463 2.987 50 0 IFAARN COc1cc(OC)cc([C@H](NC(=O)c2cc(S(C)(=O)=O)ccc2C)c2nccn2C)c1 ZINC000024022661 557131891 /nfs/dbraw/zinc/13/18/91/557131891.db2.gz VSXQZZNFBAWPKM-FQEVSTJZSA-N 0 0 443.525 2.669 50 0 IFAARN COc1cc(OC)cc([C@@H](NC(=O)CCNC(=O)Nc2ccccc2)c2nccn2C)c1 ZINC000024022376 557131946 /nfs/dbraw/zinc/13/19/46/557131946.db2.gz WUQSSHLMBSZXKS-OAQYLSRUSA-N 0 0 437.500 2.855 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024029018 557132350 /nfs/dbraw/zinc/13/23/50/557132350.db2.gz LSYHYXMTHYFZCO-LBPRGKRZSA-N 0 0 448.526 2.911 50 0 IFAARN C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000023248679 557133718 /nfs/dbraw/zinc/13/37/18/557133718.db2.gz SPXPQXZKOQRHRD-LBPRGKRZSA-N 0 0 432.874 2.582 50 0 IFAARN CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C1 ZINC000024754902 557134325 /nfs/dbraw/zinc/13/43/25/557134325.db2.gz WHXLNKMAIAOYFP-IAGOWNOFSA-N 0 0 437.562 2.914 50 0 IFAARN C1CCN(c2nc(N3CCCC3)nc(N3CCC[C@@H](c4nnc5n4CCCCC5)C3)n2)C1 ZINC000024055857 557134448 /nfs/dbraw/zinc/13/44/48/557134448.db2.gz HXQAJBWBHQUMLV-GOSISDBHSA-N 0 0 437.596 2.774 50 0 IFAARN CCOc1ccc(C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1OC ZINC000024068853 557134837 /nfs/dbraw/zinc/13/48/37/557134837.db2.gz LKBSELBGVWLIKG-QGZVFWFLSA-N 0 0 435.546 2.539 50 0 IFAARN CC(C)n1ncc2cc(C(=O)N3CCN([C@H](C(N)=O)c4ccc(Cl)cc4)CC3)cnc21 ZINC000024082404 557135876 /nfs/dbraw/zinc/13/58/76/557135876.db2.gz JPOGUOLOFZTDQF-IBGZPJMESA-N 0 0 440.935 2.650 50 0 IFAARN NC(=O)c1ccc(C(F)(F)F)n(CC(=O)NC2c3ccccc3-c3ccccc32)c1=O ZINC000024111361 557137633 /nfs/dbraw/zinc/13/76/33/557137633.db2.gz FBGDCTWULFXENZ-UHFFFAOYSA-N 0 0 427.382 2.852 50 0 IFAARN C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)NC1CCCCC1 ZINC000011412162 557144037 /nfs/dbraw/zinc/14/40/37/557144037.db2.gz QSBFSYWUEZZGHQ-HNNXBMFYSA-N 0 0 440.537 2.995 50 0 IFAARN CC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)c1 ZINC000002469155 557144089 /nfs/dbraw/zinc/14/40/89/557144089.db2.gz LDQIRIHZQPLFBE-UHFFFAOYSA-N 0 0 431.333 2.972 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)c1 ZINC000002469152 557144098 /nfs/dbraw/zinc/14/40/98/557144098.db2.gz ONBDZNATNZFQDU-UHFFFAOYSA-N 0 0 449.348 2.787 50 0 IFAARN COc1cc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc(Cl)c1OCC(N)=O ZINC000011414558 557144113 /nfs/dbraw/zinc/14/41/13/557144113.db2.gz STODBQNAASGAER-UHFFFAOYSA-N 0 0 442.903 2.945 50 0 IFAARN O=C(CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)NCc1ccc(F)cc1 ZINC000011431227 557146990 /nfs/dbraw/zinc/14/69/90/557146990.db2.gz DTNZCHFEUVBCJI-GOSISDBHSA-N 0 0 433.553 2.995 50 0 IFAARN CC[C@H](C(=O)NCc1ccccc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000011498115 557154076 /nfs/dbraw/zinc/15/40/76/557154076.db2.gz FSFKMMUBQJQQMN-OAQYLSRUSA-N 0 0 433.549 2.617 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@@](C)(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)S1 ZINC000000725127 557154250 /nfs/dbraw/zinc/15/42/50/557154250.db2.gz UTPLQTTYEQYLDB-OAHLLOKOSA-N 0 0 438.358 2.876 50 0 IFAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000024609295 557154372 /nfs/dbraw/zinc/15/43/72/557154372.db2.gz IMXSFKGZKZYAEF-UHFFFAOYSA-N 0 0 430.526 2.582 50 0 IFAARN Cc1cc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)n(-c2ccccc2)n1 ZINC000023303288 557157129 /nfs/dbraw/zinc/15/71/29/557157129.db2.gz FXUUULBNXFSSKN-UHFFFAOYSA-N 0 0 431.540 2.872 50 0 IFAARN O=C(c1ccccc1Br)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000024683383 557158743 /nfs/dbraw/zinc/15/87/43/557158743.db2.gz XYRPIITVIFYHEB-UHFFFAOYSA-N 0 0 427.302 2.644 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000024697425 557159116 /nfs/dbraw/zinc/15/91/16/557159116.db2.gz AYAFOYHZUDMADQ-UHFFFAOYSA-N 0 0 444.509 2.560 50 0 IFAARN CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000024712843 557159982 /nfs/dbraw/zinc/15/99/82/557159982.db2.gz JXJUEJXKKXVCOD-UHFFFAOYSA-N 0 0 443.569 2.719 50 0 IFAARN Cc1cc(=O)c(C(=O)NCCc2nnc3ccccn32)nn1-c1cccc(C(F)(F)F)c1 ZINC000011546957 557161941 /nfs/dbraw/zinc/16/19/41/557161941.db2.gz NAVLNPJPQQHMIH-UHFFFAOYSA-N 0 0 442.401 2.575 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3nnc4ccccn43)c2)cc1 ZINC000011547058 557162056 /nfs/dbraw/zinc/16/20/56/557162056.db2.gz BRFJKGCCGQXBJT-UHFFFAOYSA-N 0 0 435.509 2.811 50 0 IFAARN COc1cc(-c2cc(C(=O)NC[C@@H]3CCCN3c3nccs3)[nH]n2)cc(OC)c1OC ZINC000206781528 557162404 /nfs/dbraw/zinc/16/24/04/557162404.db2.gz YWSZOYBWMFKMFZ-AWEZNQCLSA-N 0 0 443.529 2.958 50 0 IFAARN CC(C)[C@H](NC(=O)CN1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000024760866 557164254 /nfs/dbraw/zinc/16/42/54/557164254.db2.gz ZZXGUYDXZRDROO-FHAGJXEFSA-N 0 0 446.611 2.761 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1cccc(F)c1 ZINC000024772133 557165897 /nfs/dbraw/zinc/16/58/97/557165897.db2.gz YUPPHXAFRICBKU-BTYIYWSLSA-N 0 0 436.443 2.547 50 0 IFAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000206905311 557166040 /nfs/dbraw/zinc/16/60/40/557166040.db2.gz WBEDIZDCFXEWCI-UHFFFAOYSA-N 0 0 438.542 2.513 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1cccc(F)c1 ZINC000024772139 557166274 /nfs/dbraw/zinc/16/62/74/557166274.db2.gz YUPPHXAFRICBKU-YCRPNKLZSA-N 0 0 436.443 2.547 50 0 IFAARN O=C(Cc1csc(-c2ccsc2)n1)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024777059 557167061 /nfs/dbraw/zinc/16/70/61/557167061.db2.gz MRWNESMZBCAWDZ-UHFFFAOYSA-N 0 0 437.554 2.739 50 0 IFAARN NS(=O)(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000000754376 557168901 /nfs/dbraw/zinc/16/89/01/557168901.db2.gz UGRNAMCLIKFIJF-UJKMTWAASA-N 0 0 430.485 2.731 50 0 IFAARN COCCNC(=O)C1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000024833682 557171564 /nfs/dbraw/zinc/17/15/64/557171564.db2.gz WGYNJYVKBDSWLE-UHFFFAOYSA-N 0 0 432.746 2.516 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000024834469 557171681 /nfs/dbraw/zinc/17/16/81/557171681.db2.gz YVTJHVVDIBKJHW-MRXNPFEDSA-N 0 0 445.541 2.717 50 0 IFAARN COc1ccccc1CN(Cc1cccs1)C(=O)Cn1nnn(-c2cccs2)c1=O ZINC000024839395 557172970 /nfs/dbraw/zinc/17/29/70/557172970.db2.gz QBJYUSQOSBGWDU-UHFFFAOYSA-N 0 0 441.538 2.790 50 0 IFAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COc1ccc(F)cc1Br ZINC000024841917 557173560 /nfs/dbraw/zinc/17/35/60/557173560.db2.gz ODRLRLDOPHTPNM-SNVBAGLBSA-N 0 0 443.294 2.592 50 0 IFAARN O=C(NC[C@H]1COc2ccccc2O1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000024858132 557174522 /nfs/dbraw/zinc/17/45/22/557174522.db2.gz UMAAUGBKXJHWCW-GHTZIAJQSA-N 0 0 442.471 2.850 50 0 IFAARN O=C(NC[C@@H]1COc2ccccc2O1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000024858130 557174528 /nfs/dbraw/zinc/17/45/28/557174528.db2.gz UMAAUGBKXJHWCW-WIYYLYMNSA-N 0 0 442.471 2.850 50 0 IFAARN Nc1nc(CN2CCN(C(=O)c3ccccc3Br)CC2)nc2ccccc12 ZINC000024866912 557175679 /nfs/dbraw/zinc/17/56/79/557175679.db2.gz GBYHUUVMBUALPJ-UHFFFAOYSA-N 0 0 426.318 2.933 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000024876298 557176007 /nfs/dbraw/zinc/17/60/07/557176007.db2.gz JPKIKFWUVKPGMJ-NRFANRHFSA-N 0 0 429.860 2.869 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)C2CCCCC2)cc1OC ZINC000000780671 557176084 /nfs/dbraw/zinc/17/60/84/557176084.db2.gz DJZVCKVFIASWDY-UHFFFAOYSA-N 0 0 447.557 2.739 50 0 IFAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1nc(N)nc(N(C)C)n1 ZINC000024903996 557178024 /nfs/dbraw/zinc/17/80/24/557178024.db2.gz NJXBUJJYZCPRDL-SWLSCSKDSA-N 0 0 444.540 2.950 50 0 IFAARN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)c1nc(N)nc(N(C)C)n1 ZINC000024904237 557178097 /nfs/dbraw/zinc/17/80/97/557178097.db2.gz YLRZTAFTXRJSFF-RYUDHWBXSA-N 0 0 431.545 2.716 50 0 IFAARN Cn1c2c(c(=O)n(C)c1=O)n(Cc1c(F)cccc1Cl)c1nnc(-c3ccccc3)n12 ZINC000010969518 557181047 /nfs/dbraw/zinc/18/10/47/557181047.db2.gz WXLIGDCYSJXOFS-UHFFFAOYSA-N 0 0 438.850 2.589 50 0 IFAARN Cn1c2c(c(=O)n(C)c1=O)n(CCc1ccccc1)c1nnc(-c3ccc(Cl)cc3)n12 ZINC000010969698 557181121 /nfs/dbraw/zinc/18/11/21/557181121.db2.gz RXZPNZMDTGPOAI-UHFFFAOYSA-N 0 0 434.887 2.645 50 0 IFAARN CCC[C@H](C)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1C[C@@H]1CCCO1 ZINC000024959403 557182395 /nfs/dbraw/zinc/18/23/95/557182395.db2.gz BOPQELSVVLSOTB-HOCLYGCPSA-N 0 0 447.557 2.759 50 0 IFAARN C[C@@H](NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000024958378 557182485 /nfs/dbraw/zinc/18/24/85/557182485.db2.gz TZIMGOWUJFXDHJ-CYBMUJFWSA-N 0 0 427.482 2.742 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2F)C[C@@H]1c1cc(OC)ccc1OC ZINC000096211453 557183587 /nfs/dbraw/zinc/18/35/87/557183587.db2.gz OBUZLHDSOKDIAS-UXHICEINSA-N 0 0 444.503 2.851 50 0 IFAARN COc1ccc(C(=O)CSc2nnc(CC(=O)Nc3ccccc3OC)n2C)cc1 ZINC000009262633 557184582 /nfs/dbraw/zinc/18/45/82/557184582.db2.gz ZELBCMJYQJYNAV-UHFFFAOYSA-N 0 0 426.498 2.989 50 0 IFAARN COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000024980715 557185431 /nfs/dbraw/zinc/18/54/31/557185431.db2.gz IPFFBMKANSLYFR-ABAIWWIYSA-N 0 0 433.313 2.694 50 0 IFAARN COc1ccc(N[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1S(=O)(=O)N(C)C ZINC000024983855 557185870 /nfs/dbraw/zinc/18/58/70/557185870.db2.gz NTQXSUBUTRAWEU-OAHLLOKOSA-N 0 0 448.545 2.711 50 0 IFAARN CNS(=O)(=O)c1ccc(Br)c(C(=O)NCCCN(C)c2ccccc2)c1 ZINC000024986771 557186457 /nfs/dbraw/zinc/18/64/57/557186457.db2.gz RCLIFIVCKZSPTF-UHFFFAOYSA-N 0 0 440.363 2.614 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CN(C)Cc1ccccc1N1CCOCC1)OCO2 ZINC000024991068 557187687 /nfs/dbraw/zinc/18/76/87/557187687.db2.gz DWGKQRAIRYHBHX-UHFFFAOYSA-N 0 0 425.485 2.525 50 0 IFAARN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CNC(=O)c3ccccc3C)C2=O)cc1 ZINC000097996374 557188252 /nfs/dbraw/zinc/18/82/52/557188252.db2.gz QSXPTSGQCRUCKY-CPNJWEJPSA-N 0 0 437.521 2.886 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2Cl)C1 ZINC000024995394 557188342 /nfs/dbraw/zinc/18/83/42/557188342.db2.gz HBYIZPMVQLHVLW-HNNXBMFYSA-N 0 0 442.965 2.740 50 0 IFAARN Cn1c(CN2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)nc2ccccc21 ZINC000014745928 557189791 /nfs/dbraw/zinc/18/97/91/557189791.db2.gz FVEMCKJYAULDAM-UHFFFAOYSA-N 0 0 446.555 2.830 50 0 IFAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000025058382 557192750 /nfs/dbraw/zinc/19/27/50/557192750.db2.gz XPQRCAFBGUCHLP-INIZCTEOSA-N 0 0 429.860 2.923 50 0 IFAARN COCCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccc(C(=O)OC)cc1 ZINC000100872431 557193878 /nfs/dbraw/zinc/19/38/78/557193878.db2.gz NRKFQMXGUMMGNI-DQRAZIAOSA-N 0 0 428.466 2.664 50 0 IFAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC(C)(C)c1noc(C(C)(C)C)n1)C2=O ZINC000060211188 557194865 /nfs/dbraw/zinc/19/48/65/557194865.db2.gz QIWAUTYWKSJSSY-DMZKTXOQSA-N 0 0 433.553 2.855 50 0 IFAARN COC(=O)Cn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1cc(OC)cc(OC)c1 ZINC000100876897 557195387 /nfs/dbraw/zinc/19/53/87/557195387.db2.gz UEVFENVSNFUKLA-LNVKXUELSA-N 0 0 443.481 2.593 50 0 IFAARN Cc1nc2n(c(=O)c1C)CN(CCN1CCOCC1)CN2c1ccc(Cl)cc1Cl ZINC000096305509 557195431 /nfs/dbraw/zinc/19/54/31/557195431.db2.gz CUVGZLVHTPOUCK-UHFFFAOYSA-N 0 0 438.359 2.868 50 0 IFAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1cccc2ccccc21 ZINC000100873010 557195938 /nfs/dbraw/zinc/19/59/38/557195938.db2.gz MKTGRPRPPAAYGW-LNVKXUELSA-N 0 0 441.534 2.891 50 0 IFAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000100873159 557196167 /nfs/dbraw/zinc/19/61/67/557196167.db2.gz JPMTTZKNEFACHX-FCQUAONHSA-N 0 0 439.493 2.752 50 0 IFAARN O=C(Nc1nnc([C@H]2CCCO2)o1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010971415 557196901 /nfs/dbraw/zinc/19/69/01/557196901.db2.gz OILVTCDJTDPIGE-LLVKDONJSA-N 0 0 446.938 2.675 50 0 IFAARN O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CCN(C(=O)C2CC2)CC1 ZINC000025169921 557198292 /nfs/dbraw/zinc/19/82/92/557198292.db2.gz JOPKVUOKNSFEHN-UHFFFAOYSA-N 0 0 425.489 2.829 50 0 IFAARN C[C@@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N1CCCCCC1 ZINC000025171157 557198394 /nfs/dbraw/zinc/19/83/94/557198394.db2.gz OUHGHXNERRXXLA-SJORKVTESA-N 0 0 440.537 2.561 50 0 IFAARN COC(=O)c1cccc2c1CCCN2C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000025192469 557199419 /nfs/dbraw/zinc/19/94/19/557199419.db2.gz AMXSYALKZHJQLM-UHFFFAOYSA-N 0 0 448.516 2.992 50 0 IFAARN O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000025233655 557200594 /nfs/dbraw/zinc/20/05/94/557200594.db2.gz ZGZYVGBFWANMBW-CQSZACIVSA-N 0 0 431.473 2.782 50 0 IFAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1cccc(-c2nncn2C)c1 ZINC000025264060 557201740 /nfs/dbraw/zinc/20/17/40/557201740.db2.gz ZVXZKSRONLMHLZ-UHFFFAOYSA-N 0 0 435.513 2.877 50 0 IFAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccnc(N2CCOCC2)c1 ZINC000025290728 557202761 /nfs/dbraw/zinc/20/27/61/557202761.db2.gz IVLWAFVLFJJASW-UHFFFAOYSA-N 0 0 444.944 2.833 50 0 IFAARN CC(=O)c1cccc(OC[C@@H](O)CN2CCN(CCOc3ccccc3Cl)CC2)c1 ZINC000025305307 557203221 /nfs/dbraw/zinc/20/32/21/557203221.db2.gz GIEXQBPXISYCDF-FQEVSTJZSA-N 0 0 432.948 2.979 50 0 IFAARN CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)Cn2cnc3sccc3c2=O)cc1 ZINC000013984692 557204857 /nfs/dbraw/zinc/20/48/57/557204857.db2.gz FZWYECDRDVHYOB-ZDUSSCGKSA-N 0 0 427.482 2.867 50 0 IFAARN CN1C(=O)CO[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000072241260 557206303 /nfs/dbraw/zinc/20/63/03/557206303.db2.gz AFZNOOBAAIHZAW-FGZHOGPDSA-N 0 0 427.932 2.583 50 0 IFAARN COc1ccc(C(=O)NCC(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1OC ZINC000025397612 557207958 /nfs/dbraw/zinc/20/79/58/557207958.db2.gz CMFOXAZLNFQZLD-UHFFFAOYSA-N 0 0 442.512 2.804 50 0 IFAARN CNS(=O)(=O)Cc1ccc(CNC(=O)c2cnc(SC)n2-c2ccc(F)cc2)cc1 ZINC000025407142 557208661 /nfs/dbraw/zinc/20/86/61/557208661.db2.gz NSWGNRSZOFUTCT-UHFFFAOYSA-N 0 0 448.545 2.713 50 0 IFAARN O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)Nc1ccc(F)cc1F ZINC000011613194 557209202 /nfs/dbraw/zinc/20/92/02/557209202.db2.gz YHCFNWBKEHEZOO-UHFFFAOYSA-N 0 0 428.420 2.585 50 0 IFAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3cc(C)ccc3C)c(=O)n3c2CCCCC3)no1 ZINC000169763967 557211399 /nfs/dbraw/zinc/21/13/99/557211399.db2.gz UYWGOIJUUBZQDB-UHFFFAOYSA-N 0 0 437.500 2.604 50 0 IFAARN Cc1nc(-c2c(=O)n(CC(=O)Nc3cccc(Cl)c3C)c(=O)n3c2CCCCC3)no1 ZINC000169764019 557211470 /nfs/dbraw/zinc/21/14/70/557211470.db2.gz JSZNKVCLLSGUPD-UHFFFAOYSA-N 0 0 443.891 2.695 50 0 IFAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000011615700 557211872 /nfs/dbraw/zinc/21/18/72/557211872.db2.gz UAWMXQAZFSTNAM-UHFFFAOYSA-N 0 0 444.513 2.642 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)c1 ZINC000169770475 557212030 /nfs/dbraw/zinc/21/20/30/557212030.db2.gz KAHYZXGLNWKURN-UHFFFAOYSA-N 0 0 440.475 2.796 50 0 IFAARN COCCn1c2c(cc(F)cc2F)s/c1=N\C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000101042152 557215087 /nfs/dbraw/zinc/21/50/87/557215087.db2.gz PNYMPTWXBMFYKC-UZYVYHOESA-N 0 0 426.466 2.772 50 0 IFAARN CC(C)CN(C(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2)[C@H]1CCS(=O)(=O)C1 ZINC000005773442 557222861 /nfs/dbraw/zinc/22/28/61/557222861.db2.gz PDVSJFLFONBEFJ-HOCLYGCPSA-N 0 0 427.588 2.701 50 0 IFAARN C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000010806165 557225000 /nfs/dbraw/zinc/22/50/00/557225000.db2.gz BGAXNFPDKUPCFQ-ZDUSSCGKSA-N 0 0 437.905 2.704 50 0 IFAARN O=C(CCNS(=O)(=O)c1cccc(Br)c1)Nc1nc2c(s1)CCC2 ZINC000025769048 557225039 /nfs/dbraw/zinc/22/50/39/557225039.db2.gz CMJVNQNYONEJED-UHFFFAOYSA-N 0 0 430.349 2.701 50 0 IFAARN C[C@@H]1c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc3c2N(CCC3)C1=O ZINC000101078944 557226759 /nfs/dbraw/zinc/22/67/59/557226759.db2.gz KOXRFDJSBGMYDY-OAHLLOKOSA-N 0 0 429.517 2.733 50 0 IFAARN CCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011347787 557228491 /nfs/dbraw/zinc/22/84/91/557228491.db2.gz VPOGIVFNDOIZFQ-CYBMUJFWSA-N 0 0 434.543 2.736 50 0 IFAARN COc1ccc(C(=O)COC(=O)c2cccc(S(C)(=O)=O)c2)cc1Br ZINC000011317075 557228503 /nfs/dbraw/zinc/22/85/03/557228503.db2.gz FOFHVVPYOKYBDI-UHFFFAOYSA-N 0 0 427.272 2.901 50 0 IFAARN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1=O ZINC000025913570 557229952 /nfs/dbraw/zinc/22/99/52/557229952.db2.gz DRHACHIDPNUDQJ-DEOSSOPVSA-N 0 0 437.471 2.714 50 0 IFAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000025906330 557229959 /nfs/dbraw/zinc/22/99/59/557229959.db2.gz AFIFZJPCAICMCN-MRXNPFEDSA-N 0 0 447.582 2.609 50 0 IFAARN Cc1ccccc1C(=O)N1CCC(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000024924022 557230271 /nfs/dbraw/zinc/23/02/71/557230271.db2.gz RQFNQTCMZTXEAR-QGZVFWFLSA-N 0 0 443.569 2.714 50 0 IFAARN Cc1ccccc1C(=O)N1CCC(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000024924026 557230365 /nfs/dbraw/zinc/23/03/65/557230365.db2.gz RQFNQTCMZTXEAR-KRWDZBQOSA-N 0 0 443.569 2.714 50 0 IFAARN O=C(CSc1ncnc2ccccc21)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000025929553 557230658 /nfs/dbraw/zinc/23/06/58/557230658.db2.gz FTGBNKQQWXSGHC-CQSZACIVSA-N 0 0 433.580 2.999 50 0 IFAARN CCOc1c(Br)cc(C(=O)OCC(=O)Nc2cc(C)nn2C)cc1OC ZINC000011657169 557231183 /nfs/dbraw/zinc/23/11/83/557231183.db2.gz WQIQLRKPTSRGFK-UHFFFAOYSA-N 0 0 426.267 2.694 50 0 IFAARN COc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)NCc3ccco3)CC2)cc1 ZINC000023320352 557231525 /nfs/dbraw/zinc/23/15/25/557231525.db2.gz AJPLFIRBORCDPO-UHFFFAOYSA-N 0 0 449.511 2.645 50 0 IFAARN O=C(COc1ccccc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000011694087 557232807 /nfs/dbraw/zinc/23/28/07/557232807.db2.gz BKUCGMJDNKVWCD-UHFFFAOYSA-N 0 0 427.888 2.832 50 0 IFAARN CCOc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)cc1OC ZINC000026092291 557234332 /nfs/dbraw/zinc/23/43/32/557234332.db2.gz IDFABMLMJCOPAX-SFHVURJKSA-N 0 0 448.541 2.574 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000026162053 557236703 /nfs/dbraw/zinc/23/67/03/557236703.db2.gz AGKHMJSRVDKRHV-GJZGRUSLSA-N 0 0 428.510 2.532 50 0 IFAARN CNS(=O)(=O)c1ccc(CCC(=O)OCc2cc(-c3ccccc3OC)no2)cc1 ZINC000026266611 557238305 /nfs/dbraw/zinc/23/83/05/557238305.db2.gz GMFDPZMYSVAFII-UHFFFAOYSA-N 0 0 430.482 2.934 50 0 IFAARN O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000026308608 557239065 /nfs/dbraw/zinc/23/90/65/557239065.db2.gz ORBGPBULIQTAMI-GOSISDBHSA-N 0 0 445.449 2.610 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCCc3cc(F)c(F)cc32)C1=O ZINC000026344053 557239415 /nfs/dbraw/zinc/23/94/15/557239415.db2.gz HQOWVFZSPXRIPX-JOCHJYFZSA-N 0 0 428.439 2.606 50 0 IFAARN CN(CCOc1cccc(Cl)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000026351671 557239444 /nfs/dbraw/zinc/23/94/44/557239444.db2.gz BVAODFRSMCHCPQ-NRFANRHFSA-N 0 0 433.867 2.784 50 0 IFAARN O=C(c1cccs1)N1CCC(C(=O)N2CCN(CCOc3ccccc3)CC2)CC1 ZINC000018121572 557240094 /nfs/dbraw/zinc/24/00/94/557240094.db2.gz QETIULRSUFQDTP-UHFFFAOYSA-N 0 0 427.570 2.824 50 0 IFAARN COc1ccc([C@H](O)Cn2cnc(C(=O)N3CCN(c4cccc(C)c4C)CC3)n2)cc1 ZINC000583649218 557240324 /nfs/dbraw/zinc/24/03/24/557240324.db2.gz KXDCMRGLLSYWNJ-JOCHJYFZSA-N 0 0 435.528 2.600 50 0 IFAARN COc1ccc([C@H](O)Cn2cnc(C(=O)NCc3ccccc3Br)n2)cc1 ZINC000583649864 557240680 /nfs/dbraw/zinc/24/06/80/557240680.db2.gz ZHAHHLFILHOZQX-QGZVFWFLSA-N 0 0 431.290 2.713 50 0 IFAARN Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000100116444 557240966 /nfs/dbraw/zinc/24/09/66/557240966.db2.gz QBZFOJBKWDXBPC-QZTJIDSGSA-N 0 0 444.491 2.617 50 0 IFAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)n2)cc1 ZINC000583648931 557241642 /nfs/dbraw/zinc/24/16/42/557241642.db2.gz FARMESYAAADCQM-QFIPXVFZSA-N 0 0 435.528 2.600 50 0 IFAARN Cc1ccc(OCC(=O)NCc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)no2)cc1 ZINC000583648988 557241940 /nfs/dbraw/zinc/24/19/40/557241940.db2.gz GWQUXFWDHKEADZ-QGZVFWFLSA-N 0 0 438.459 2.728 50 0 IFAARN COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]23)cc1OC ZINC000018130333 557241970 /nfs/dbraw/zinc/24/19/70/557241970.db2.gz MELUXYNVRWFKJU-WBVHZDCISA-N 0 0 431.242 2.759 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1cccc(Cl)c1Cl ZINC000000810465 557243206 /nfs/dbraw/zinc/24/32/06/557243206.db2.gz VFYPWBVWWDSHED-UHFFFAOYSA-N 0 0 431.297 2.805 50 0 IFAARN O=C(NCCOc1ccc(Cl)cc1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000018151145 557243587 /nfs/dbraw/zinc/24/35/87/557243587.db2.gz OEROFECOHRARRO-UHFFFAOYSA-N 0 0 437.930 2.760 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000018151475 557243883 /nfs/dbraw/zinc/24/38/83/557243883.db2.gz SPPZSWUFKZKRTN-UHFFFAOYSA-N 0 0 429.325 2.944 50 0 IFAARN CC(C)[C@H](C)NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000026677940 557246490 /nfs/dbraw/zinc/24/64/90/557246490.db2.gz AGQCPHFSMUJBSE-SFHVURJKSA-N 0 0 438.590 2.888 50 0 IFAARN CSc1nc(C)c(CCC(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)c(C)n1 ZINC000026706708 557247087 /nfs/dbraw/zinc/24/70/87/557247087.db2.gz PLIVLEZNKFNQSM-FQEVSTJZSA-N 0 0 429.542 2.891 50 0 IFAARN COc1ccc(/C=C/C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)cc1OC ZINC000018194755 557247228 /nfs/dbraw/zinc/24/72/28/557247228.db2.gz QFWKCYJADTXTBJ-CSKARUKUSA-N 0 0 428.460 2.748 50 0 IFAARN Cc1cc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OCC(C)C)ccc1I ZINC000018193985 557247259 /nfs/dbraw/zinc/24/72/59/557247259.db2.gz HGPAQNYSHOEDER-DZGCQCFKSA-N 0 0 446.285 2.766 50 0 IFAARN CN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)C[C@@H]1COc2ccccc2O1 ZINC000026922409 557251280 /nfs/dbraw/zinc/25/12/80/557251280.db2.gz MDKACBBXBAIAGX-MRXNPFEDSA-N 0 0 428.489 2.879 50 0 IFAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(CCn2c(=O)oc3ccccc32)CC1 ZINC000026913040 557251316 /nfs/dbraw/zinc/25/13/16/557251316.db2.gz SSYAAWAQKCDHNY-FQEVSTJZSA-N 0 0 429.904 2.780 50 0 IFAARN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C)c2ccccc2)c1 ZINC000026980120 557253280 /nfs/dbraw/zinc/25/32/80/557253280.db2.gz YPMIFEKPMJDDCO-CYBMUJFWSA-N 0 0 441.347 2.865 50 0 IFAARN Cc1cc(N2CCN(C(=O)CN3C(=O)CSc4ccccc43)CC2)nc(C(C)C)n1 ZINC000027016932 557253860 /nfs/dbraw/zinc/25/38/60/557253860.db2.gz GGNJLUNYKWKVAE-UHFFFAOYSA-N 0 0 425.558 2.696 50 0 IFAARN COc1cc(NC(=O)c2ccco2)c(C(=O)OCc2nnnn2-c2ccccc2)cc1OC ZINC000018253279 557254276 /nfs/dbraw/zinc/25/42/76/557254276.db2.gz JVUONPKJQMEAPF-UHFFFAOYSA-N 0 0 449.423 2.882 50 0 IFAARN COc1ccccc1NC(=O)c1cc(C(N)=O)c(SCC(=O)c2ccccc2)nc1N ZINC000018265431 557254680 /nfs/dbraw/zinc/25/46/80/557254680.db2.gz KXLLXWRJQGYLHI-UHFFFAOYSA-N 0 0 436.493 2.999 50 0 IFAARN COc1ccc2c(c1)CCCN2C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000027064540 557256340 /nfs/dbraw/zinc/25/63/40/557256340.db2.gz DPBDGZJMUQKANW-UHFFFAOYSA-N 0 0 425.304 2.698 50 0 IFAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000027131826 557257579 /nfs/dbraw/zinc/25/75/79/557257579.db2.gz LMTOUCMUFBNDAD-RNVRALISSA-N 0 0 428.562 2.513 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 ZINC000008272804 557258524 /nfs/dbraw/zinc/25/85/24/557258524.db2.gz YKVOPGBJQMKYJR-AWVSAENJSA-N 0 0 429.517 2.868 50 0 IFAARN CN(C)C(=O)c1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)cc1 ZINC000027225776 557258832 /nfs/dbraw/zinc/25/88/32/557258832.db2.gz RJUWGVIDRMQOMA-UHFFFAOYSA-N 0 0 428.448 2.633 50 0 IFAARN O=C1C[C@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 ZINC000100090941 557261961 /nfs/dbraw/zinc/26/19/61/557261961.db2.gz OMNIPEYDWPBNAE-INIZCTEOSA-N 0 0 436.846 2.704 50 0 IFAARN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1cccc(F)c1F ZINC000027437493 557262089 /nfs/dbraw/zinc/26/20/89/557262089.db2.gz OHLWEUDWMSVPMO-JOCHJYFZSA-N 0 0 430.407 2.634 50 0 IFAARN CC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000100560752 557264615 /nfs/dbraw/zinc/26/46/15/557264615.db2.gz WAJJSGVFZAAYKC-MRXNPFEDSA-N 0 0 445.269 2.858 50 0 IFAARN CCNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000100578081 557265271 /nfs/dbraw/zinc/26/52/71/557265271.db2.gz VKXGKUDFQHJNJH-LJQANCHMSA-N 0 0 427.526 2.732 50 0 IFAARN CCCS(=O)(=O)Nc1cc(NS(=O)(=O)c2cccc(C(=O)OC)c2)c(F)cc1F ZINC000072271978 557267227 /nfs/dbraw/zinc/26/72/27/557267227.db2.gz VGTWJPBNMLEKAS-UHFFFAOYSA-N 0 0 448.469 2.704 50 0 IFAARN O=C(CN1CCN(c2cnccn2)CC1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000027635021 557267808 /nfs/dbraw/zinc/26/78/08/557267808.db2.gz KUIQNMIZYHXLGX-OAQYLSRUSA-N 0 0 425.583 2.896 50 0 IFAARN COc1ccccc1OCC(=O)Nc1nnc(S(=O)(=O)Cc2cccc(C)c2)s1 ZINC000027664705 557270581 /nfs/dbraw/zinc/27/05/81/557270581.db2.gz HWGLONUMGUTJOS-UHFFFAOYSA-N 0 0 433.511 2.847 50 0 IFAARN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 ZINC000032954707 557271725 /nfs/dbraw/zinc/27/17/25/557271725.db2.gz SUDOENBQJKDUGH-LLVKDONJSA-N 0 0 437.345 2.652 50 0 IFAARN CCOc1ccc(CN2CCN(C(=O)c3cccc(NS(=O)(=O)CC)c3)CC2)cc1 ZINC000022991807 557275840 /nfs/dbraw/zinc/27/58/40/557275840.db2.gz FXCMFWHVNUBMLO-UHFFFAOYSA-N 0 0 431.558 2.805 50 0 IFAARN COC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000014014995 557281043 /nfs/dbraw/zinc/28/10/43/557281043.db2.gz MRHPPWBZGQFGHY-UHFFFAOYSA-N 0 0 438.461 2.885 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000014018242 557283031 /nfs/dbraw/zinc/28/30/31/557283031.db2.gz SCZOTOLXZLQZKZ-LJQANCHMSA-N 0 0 435.358 2.754 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)N[C@H]1c1ccc(O)cc1 ZINC000101492857 557288307 /nfs/dbraw/zinc/28/83/07/557288307.db2.gz UGWXCSWOPVXWNJ-FQEVSTJZSA-N 0 0 444.509 2.654 50 0 IFAARN COC(=O)c1cn(-c2cc(OC)c(OC)c(OC)c2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000101452064 557292818 /nfs/dbraw/zinc/29/28/18/557292818.db2.gz DMEDOTICLYROIU-UHFFFAOYSA-N 0 0 435.436 2.940 50 0 IFAARN O=C([C@@H](c1ccccc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCCC1 ZINC000013165363 557298316 /nfs/dbraw/zinc/29/83/16/557298316.db2.gz LBARWMZNLAYQJJ-PGGUJSHWSA-N 0 0 439.581 2.968 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(F)ccc4F)ncn3n2)cc1 ZINC000011666437 557299962 /nfs/dbraw/zinc/29/99/62/557299962.db2.gz LFECWOUWZVLDKL-UHFFFAOYSA-N 0 0 425.395 2.874 50 0 IFAARN CC(C)c1ccc(CNc2nc3nc(=O)n(-c4ccc5c(c4)OCO5)c(=O)c-3c[nH]2)cc1 ZINC000101969255 557306603 /nfs/dbraw/zinc/30/66/03/557306603.db2.gz HNBSUHMXMLHTAH-UHFFFAOYSA-N 0 0 431.452 2.933 50 0 IFAARN COC(=O)[C@H]1[C@@H](C(=O)OC)Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 ZINC000102112665 557312357 /nfs/dbraw/zinc/31/23/57/557312357.db2.gz AXLVOYPILFLVGR-VQTJNVASSA-N 0 0 448.479 2.777 50 0 IFAARN COC(=O)[C@@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn2[C@H]1C(=O)OC ZINC000102112656 557312397 /nfs/dbraw/zinc/31/23/97/557312397.db2.gz AXLVOYPILFLVGR-WOJBJXKFSA-N 0 0 448.479 2.777 50 0 IFAARN O=C(OCc1nnnn1-c1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000032745314 557314690 /nfs/dbraw/zinc/31/46/90/557314690.db2.gz QSPFRULTVXTSMJ-UHFFFAOYSA-N 0 0 435.465 2.820 50 0 IFAARN CCn1c(=O)c2ccc(C(=O)N[C@H](c3nccn3C)c3ccccc3OC)cc2[n-]c1=S ZINC000102200170 557314945 /nfs/dbraw/zinc/31/49/45/557314945.db2.gz DPXQJQSIXHEUDY-IBGZPJMESA-N 0 0 449.536 2.967 50 0 IFAARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC(c1ccccc1)c1ccccc1 ZINC000102209058 557315567 /nfs/dbraw/zinc/31/55/67/557315567.db2.gz HZNTZNHRSDJKLU-WOJBJXKFSA-N 0 0 434.492 2.611 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCC(c2nnc3ccccn32)CC1 ZINC000032795847 557316212 /nfs/dbraw/zinc/31/62/12/557316212.db2.gz ZOXHYIAMFODKAW-HXUWFJFHSA-N 0 0 429.524 2.977 50 0 IFAARN O=C(CN1CCN(C(=O)c2c3c(nc4ccccc42)CCC3)CC1)NCc1ccccc1 ZINC000032904624 557317127 /nfs/dbraw/zinc/31/71/27/557317127.db2.gz ZSCBIPNJDSEZQV-UHFFFAOYSA-N 0 0 428.536 2.798 50 0 IFAARN COC(=O)C1=CN(C(C)C)CCc2nc(-c3ccccc3)nc(N3CCC(O)CC3)c2C1 ZINC000104028509 557319537 /nfs/dbraw/zinc/31/95/37/557319537.db2.gz IHDYEWINIYBTJC-UHFFFAOYSA-N 0 0 436.556 2.971 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000032973973 557320022 /nfs/dbraw/zinc/32/00/22/557320022.db2.gz KBZNIARWNWHSIT-UHFFFAOYSA-N 0 0 430.526 2.831 50 0 IFAARN NC(=O)C1=C(N)S[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]1c1ccccc1O ZINC000102372344 557320880 /nfs/dbraw/zinc/32/08/80/557320880.db2.gz LNLNNOKYZLOYAG-GGPKGHCWSA-N 0 0 445.500 2.590 50 0 IFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)NCc3ccc(F)cc3)s2)cc1 ZINC000032987384 557321956 /nfs/dbraw/zinc/32/19/56/557321956.db2.gz WBOZCDPDQYYOPD-UHFFFAOYSA-N 0 0 430.461 2.771 50 0 IFAARN O=c1ccc2cc(S(=O)(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)ccc2[nH]1 ZINC000033077168 557323698 /nfs/dbraw/zinc/32/36/98/557323698.db2.gz GDXFBVAMRJONSU-UHFFFAOYSA-N 0 0 447.944 2.567 50 0 IFAARN Cc1nc(-c2ccc(C(=O)NCC(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2)no1 ZINC000033077110 557323776 /nfs/dbraw/zinc/32/37/76/557323776.db2.gz PXXNYFMTXQGMDH-UHFFFAOYSA-N 0 0 433.512 2.740 50 0 IFAARN O=C(COC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CCNC1=O ZINC000024513017 557326985 /nfs/dbraw/zinc/32/69/85/557326985.db2.gz HAIRLRGMHYNRLB-UHFFFAOYSA-N 0 0 438.871 2.960 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000014244650 557328468 /nfs/dbraw/zinc/32/84/68/557328468.db2.gz ZSBSVEFGLRPPEU-SFHVURJKSA-N 0 0 441.484 2.960 50 0 IFAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N ZINC000014241409 557329105 /nfs/dbraw/zinc/32/91/05/557329105.db2.gz RBYQXOFEOGCXKL-KRWDZBQOSA-N 0 0 429.933 2.721 50 0 IFAARN O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N(Cc1ccco1)Cc1ccccc1 ZINC000014242896 557329173 /nfs/dbraw/zinc/32/91/73/557329173.db2.gz PSRVZQBLDXDFFA-UHFFFAOYSA-N 0 0 431.448 2.799 50 0 IFAARN COc1cc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)cc(OC)c1O ZINC000105524112 557331825 /nfs/dbraw/zinc/33/18/25/557331825.db2.gz HMMFKXIBIIUASW-SXCAWEJJSA-N 0 0 429.469 2.957 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(Cl)cc1 ZINC000000834841 557332300 /nfs/dbraw/zinc/33/23/00/557332300.db2.gz BSZHENVBFWUMKI-QGZVFWFLSA-N 0 0 437.901 2.837 50 0 IFAARN CC(C)C[C@H](C(=O)N1CCC(c2nnc3ccccn32)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000248252083 557332905 /nfs/dbraw/zinc/33/29/05/557332905.db2.gz JIOWSVRWVNPHDT-VAMGGRTRSA-N 0 0 449.555 2.801 50 0 IFAARN O=C(CCn1c(=O)c2sccc2nc1N1CCCC1)N1CCN(c2ccccc2)CC1 ZINC000033308826 557333494 /nfs/dbraw/zinc/33/34/94/557333494.db2.gz QHIKFZDLIVWEAU-UHFFFAOYSA-N 0 0 437.569 2.797 50 0 IFAARN COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000024985657 557335197 /nfs/dbraw/zinc/33/51/97/557335197.db2.gz CZQYECRUIQPNIS-BMIGLBTASA-N 0 0 433.313 2.694 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC000014594885 557344178 /nfs/dbraw/zinc/34/41/78/557344178.db2.gz ANYNMGYDUCWIPR-INIZCTEOSA-N 0 0 426.469 2.786 50 0 IFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2nccc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000023331212 557344219 /nfs/dbraw/zinc/34/42/19/557344219.db2.gz NZMNBMRVICTEGS-QGZVFWFLSA-N 0 0 432.480 2.988 50 0 IFAARN CC(C)CC[C@@H](C)NC(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000014640556 557346663 /nfs/dbraw/zinc/34/66/63/557346663.db2.gz AXNVRNQRWJJLSO-QGZVFWFLSA-N 0 0 434.558 2.992 50 0 IFAARN COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1OC ZINC000013583020 557349292 /nfs/dbraw/zinc/34/92/92/557349292.db2.gz BGPLVKVWVPFOBL-UHFFFAOYSA-N 0 0 432.542 2.769 50 0 IFAARN COc1ccccc1[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCCC1 ZINC000013561736 557352336 /nfs/dbraw/zinc/35/23/36/557352336.db2.gz IMQNQHMKGXPBNT-FQEVSTJZSA-N 0 0 427.530 2.607 50 0 IFAARN Cn1ncc2c1ncnc2SCC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000011685729 557366917 /nfs/dbraw/zinc/36/69/17/557366917.db2.gz OBUKMUPNILMQDX-UHFFFAOYSA-N 0 0 436.291 2.628 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000023685120 557371538 /nfs/dbraw/zinc/37/15/38/557371538.db2.gz VEPVWMPUJNXJST-KBXCAEBGSA-N 0 0 440.363 2.608 50 0 IFAARN CCCn1c2nnc(-c3ccc(COc4ccccc4)cc3)n2c2c1c(=O)n(C)c(=O)n2C ZINC000023834307 557376251 /nfs/dbraw/zinc/37/62/51/557376251.db2.gz XAUTZISRTIOVNG-UHFFFAOYSA-N 0 0 444.495 2.737 50 0 IFAARN COc1ccc(C2=NO[C@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6ccc(OC(C)=O)cc6)C(=O)[C@H]54)[C@@H]23)cc1 ZINC000013722479 557387842 /nfs/dbraw/zinc/38/78/42/557387842.db2.gz ZGOYGPMYIGGZBU-OJMNFPMESA-N 0 0 446.459 2.795 50 0 IFAARN O=C(CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000102785305 557388181 /nfs/dbraw/zinc/38/81/81/557388181.db2.gz QSSKEPATFKKOCP-HZPDHXFCSA-N 0 0 428.876 2.738 50 0 IFAARN Cc1nnc(SCC(=O)NCc2ccccc2CN2CCOCC2)n1-c1ccccc1 ZINC000024013423 557390840 /nfs/dbraw/zinc/39/08/40/557390840.db2.gz WVXNZTLDVYZQEW-UHFFFAOYSA-N 0 0 437.569 2.816 50 0 IFAARN Cc1ccc(CN2C(=O)NC3(CCN(S(=O)(=O)c4cccc(C)c4)CC3)C2=O)cc1 ZINC000011694159 557392079 /nfs/dbraw/zinc/39/20/79/557392079.db2.gz NLFLVOYKVJRABY-UHFFFAOYSA-N 0 0 427.526 2.579 50 0 IFAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000102827589 557394041 /nfs/dbraw/zinc/39/40/41/557394041.db2.gz JSQKXMAIWPYSOX-OALUTQOASA-N 0 0 433.512 2.951 50 0 IFAARN O=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1ccc2cc(Br)ccc21 ZINC000072401556 557394701 /nfs/dbraw/zinc/39/47/01/557394701.db2.gz ZTACKQSKHVVCAP-UHFFFAOYSA-N 0 0 425.286 2.999 50 0 IFAARN COc1cc(/C=C/C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1OCc1c(C)noc1C ZINC000025587175 557396344 /nfs/dbraw/zinc/39/63/44/557396344.db2.gz CQEBKTKAZTZXFM-WEVVVXLNSA-N 0 0 439.512 2.973 50 0 IFAARN CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2CC)s1 ZINC000013956072 557398035 /nfs/dbraw/zinc/39/80/35/557398035.db2.gz KDNBQONFILNPQL-UHFFFAOYSA-N 0 0 449.537 2.763 50 0 IFAARN CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1nnc(C(C)C)s1 ZINC000013956340 557398260 /nfs/dbraw/zinc/39/82/60/557398260.db2.gz MILQXPNYAFUBLV-UHFFFAOYSA-N 0 0 435.535 2.527 50 0 IFAARN C[C@H](Sc1nnc(CCNC(=O)c2ccccc2F)n1C)C(=O)NC1CCCCC1 ZINC000013956436 557398270 /nfs/dbraw/zinc/39/82/70/557398270.db2.gz RIIQKUMKUQTEEL-AWEZNQCLSA-N 0 0 433.553 2.856 50 0 IFAARN CC(C)c1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)s1 ZINC000013956685 557398877 /nfs/dbraw/zinc/39/88/77/557398877.db2.gz GOQNMOYDEVNEAN-UHFFFAOYSA-N 0 0 449.537 2.590 50 0 IFAARN O=C(/C=C\c1ccc2c(c1)OCO2)NCCCCNC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000033456296 557399195 /nfs/dbraw/zinc/39/91/95/557399195.db2.gz XOJDPDUKYKQGLY-OZDSWYPASA-N 0 0 436.464 2.883 50 0 IFAARN COc1cccc(CN2C(=O)CC[C@]2(C)C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000004893163 557401812 /nfs/dbraw/zinc/40/18/12/557401812.db2.gz ZEYMZKQMFYTPNS-XMMPIXPASA-N 0 0 426.513 2.952 50 0 IFAARN NC(=O)COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2cccs2)cc1 ZINC000102899705 557411433 /nfs/dbraw/zinc/41/14/33/557411433.db2.gz YELHAMZDHHNJDO-CVDCTZTESA-N 0 0 447.472 2.693 50 0 IFAARN O=c1nc2nc(NCCc3ccc(Cl)cc3)[nH]cc-2c(=O)n1-c1ccc2c(c1)OCO2 ZINC000102911991 557411855 /nfs/dbraw/zinc/41/18/55/557411855.db2.gz LZYBDCOCBAAEPW-UHFFFAOYSA-N 0 0 437.843 2.506 50 0 IFAARN NC(=O)[C@@H]1CN(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c2ccccc2O1 ZINC000103367236 557434070 /nfs/dbraw/zinc/43/40/70/557434070.db2.gz KMSMQGDXTUHNOG-GHTZIAJQSA-N 0 0 425.485 2.846 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCC[C@@H](C)C4)C3)cc2C[C@H]1C ZINC000103712588 557440702 /nfs/dbraw/zinc/44/07/02/557440702.db2.gz FJGWATLDWQXNBH-LMMKCTJWSA-N 0 0 447.601 2.643 50 0 IFAARN C[C@@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)c1nc2ccccc2n1C ZINC000223219240 557447477 /nfs/dbraw/zinc/44/74/77/557447477.db2.gz LMWWBGYZYWTBMN-LLVKDONJSA-N 0 0 426.278 2.803 50 0 IFAARN O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1ccc2ccc(Cl)cc21 ZINC000223228489 557448793 /nfs/dbraw/zinc/44/87/93/557448793.db2.gz CAMJXVNPBWRSOB-QGZVFWFLSA-N 0 0 428.876 2.905 50 0 IFAARN CC(C)NC(=O)N1CCC2(CC1)N[C@H](Cc1ccccc1)C(=O)N2CCc1ccccn1 ZINC000096210977 557450128 /nfs/dbraw/zinc/45/01/28/557450128.db2.gz YZTPNFPFYPVUGM-JOCHJYFZSA-N 0 0 435.572 2.577 50 0 IFAARN COCc1nc(C(C)C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1cccc(C)c1 ZINC000096317240 557451696 /nfs/dbraw/zinc/45/16/96/557451696.db2.gz HUPLKRUPOMTEEV-UHFFFAOYSA-N 0 0 432.590 2.727 50 0 IFAARN CN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000104203741 557453151 /nfs/dbraw/zinc/45/31/51/557453151.db2.gz DWYLVRIABMZPDY-FUHWJXTLSA-N 0 0 441.509 2.822 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)cc1F ZINC000097943856 557453672 /nfs/dbraw/zinc/45/36/72/557453672.db2.gz SCFUKEWSOBKRGA-HSZRJFAPSA-N 0 0 425.460 2.870 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)c1 ZINC000085690522 557458908 /nfs/dbraw/zinc/45/89/08/557458908.db2.gz FDGMCSVLESEXDE-INIZCTEOSA-N 0 0 435.484 2.980 50 0 IFAARN C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000104728494 557458941 /nfs/dbraw/zinc/45/89/41/557458941.db2.gz YBMQRHVEEHPWMK-ZIAGYGMSSA-N 0 0 430.455 2.988 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1 ZINC000051316697 557464660 /nfs/dbraw/zinc/46/46/60/557464660.db2.gz IXNADQDNDUYXCR-UHFFFAOYSA-N 0 0 435.465 2.626 50 0 IFAARN O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)NCc1ccc(F)cc1Cl ZINC000051316932 557466136 /nfs/dbraw/zinc/46/61/36/557466136.db2.gz DOHYIFVGIITEQI-UHFFFAOYSA-N 0 0 429.814 2.806 50 0 IFAARN COc1cc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)cc(OC)c1 ZINC000051317034 557466343 /nfs/dbraw/zinc/46/63/43/557466343.db2.gz PUDBXHFGLCFLLZ-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nnn1-c1ccc(C)c(C)c1 ZINC000051317530 557468645 /nfs/dbraw/zinc/46/86/45/557468645.db2.gz WYNZJUMETUFNIH-UHFFFAOYSA-N 0 0 433.512 2.879 50 0 IFAARN C[C@H](OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000105311573 557495354 /nfs/dbraw/zinc/49/53/54/557495354.db2.gz KRNGJMMSVZBNAO-HEHGZKQESA-N 0 0 425.323 2.806 50 0 IFAARN CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000019535124 557500419 /nfs/dbraw/zinc/50/04/19/557500419.db2.gz DJJAITDTBKCYJJ-UHFFFAOYSA-N 0 0 436.556 2.542 50 0 IFAARN COc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)c1 ZINC000024589772 557507740 /nfs/dbraw/zinc/50/77/40/557507740.db2.gz NVAXPFMMPRTLRJ-OAHLLOKOSA-N 0 0 427.526 2.867 50 0 IFAARN CC[C@H](C)NC(=O)Cn1nc(SC)c(-c2nc(-c3ccc4c(c3)OCO4)no2)c1N ZINC000046915357 557514193 /nfs/dbraw/zinc/51/41/93/557514193.db2.gz PXMUTDWWJZUWOC-JTQLQIEISA-N 0 0 430.490 2.548 50 0 IFAARN CCOC(=O)[C@@H]1[C@@H](c2c(OC)ccc3ccccc32)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000106213756 557523269 /nfs/dbraw/zinc/52/32/69/557523269.db2.gz SAOWSHFBPDQXGO-DAYGRLMNSA-N 0 0 428.432 2.797 50 0 IFAARN O=C(CSCc1cc(=O)n2ccsc2n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000024598642 557523779 /nfs/dbraw/zinc/52/37/79/557523779.db2.gz QAOQYIGJDXJLIN-UHFFFAOYSA-N 0 0 434.974 2.991 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012029738 557524950 /nfs/dbraw/zinc/52/49/50/557524950.db2.gz KNVCRKBOGYYMMX-OAHLLOKOSA-N 0 0 443.930 2.562 50 0 IFAARN CC(C)Oc1ccc(C(=O)NCCn2ncc3c2ncn(Cc2ccccc2F)c3=O)cc1 ZINC000012071540 557526609 /nfs/dbraw/zinc/52/66/09/557526609.db2.gz QGQCCUIHDXGXCO-UHFFFAOYSA-N 0 0 449.486 2.998 50 0 IFAARN O=C(NCCn1ncc2c1ncn(Cc1ccc(F)cc1)c2=O)c1cc2ccccc2o1 ZINC000012071775 557526841 /nfs/dbraw/zinc/52/68/41/557526841.db2.gz GPRIXALOULBCOA-UHFFFAOYSA-N 0 0 431.427 2.957 50 0 IFAARN CCOc1cc(C(=O)Nc2nnc(SCC(N)=O)s2)cc(OCC)c1OCC ZINC000012080613 557527187 /nfs/dbraw/zinc/52/71/87/557527187.db2.gz WBRYZTXWDUNZHO-UHFFFAOYSA-N 0 0 426.520 2.564 50 0 IFAARN NC(=O)c1nc(-c2cccc(Br)c2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 ZINC000012080829 557527694 /nfs/dbraw/zinc/52/76/94/557527694.db2.gz BOVBHHMSXBSALC-UHFFFAOYSA-N 0 0 428.221 2.776 50 0 IFAARN COc1cc2[nH]c(=O)n(CCCCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c2cc1OC ZINC000106280855 557528058 /nfs/dbraw/zinc/52/80/58/557528058.db2.gz HTDYUCMOKMOXQE-HLLBOEOZSA-N 0 0 431.533 2.818 50 0 IFAARN COc1ccc(NC(=O)CN2C[C@H](C)N(CC(=O)Nc3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000106922333 557533382 /nfs/dbraw/zinc/53/33/82/557533382.db2.gz SLASOKKMHYZFOP-ROUUACIJSA-N 0 0 440.544 2.676 50 0 IFAARN COCC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000044854737 557537631 /nfs/dbraw/zinc/53/76/31/557537631.db2.gz VFSBCBBNCZXBEZ-LJQANCHMSA-N 0 0 449.525 2.617 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O ZINC000044837121 557538807 /nfs/dbraw/zinc/53/88/07/557538807.db2.gz CKZTYOSSGIWBTD-UHFFFAOYSA-N 0 0 438.438 2.824 50 0 IFAARN O=C(Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O)N1CCc2ccccc21 ZINC000044839734 557539089 /nfs/dbraw/zinc/53/90/89/557539089.db2.gz JPZGBTIZDFLQKN-UHFFFAOYSA-N 0 0 425.488 2.995 50 0 IFAARN CCCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)CC2=O)cc1 ZINC000044921884 557541172 /nfs/dbraw/zinc/54/11/72/557541172.db2.gz XHGSHEZYKODKON-LJQANCHMSA-N 0 0 447.495 2.885 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(c2nccn3cnnc23)[C@H](C)C1)c1cccc2ccccc21 ZINC000108126308 557541400 /nfs/dbraw/zinc/54/14/00/557541400.db2.gz VGZDXPCHLSSYJO-QZTJIDSGSA-N 0 0 429.528 2.665 50 0 IFAARN COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000044974187 557542225 /nfs/dbraw/zinc/54/22/25/557542225.db2.gz IGWYSJOINDAIAR-FQEVSTJZSA-N 0 0 447.491 2.667 50 0 IFAARN COc1cn(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000045541047 557544244 /nfs/dbraw/zinc/54/42/44/557544244.db2.gz YIJCWIXJQFJZMD-IBGZPJMESA-N 0 0 448.523 2.771 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c1 ZINC000045970174 557557896 /nfs/dbraw/zinc/55/78/96/557557896.db2.gz JHWPVILEHHIAIX-UHFFFAOYSA-N 0 0 441.513 2.659 50 0 IFAARN CSc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4cccc(F)c4)c3=O)n2)cc1 ZINC000045970991 557558419 /nfs/dbraw/zinc/55/84/19/557558419.db2.gz GMOXAPFETATJSP-UHFFFAOYSA-N 0 0 449.471 2.996 50 0 IFAARN CCNS(=O)(=O)c1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)cc1 ZINC000027489380 557563394 /nfs/dbraw/zinc/56/33/94/557563394.db2.gz NSKKFMXMVCFONL-XBLGPDGASA-N 0 0 429.546 2.511 50 0 IFAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2n1CCC2)c1ccc(F)cc1 ZINC000040037545 557676406 /nfs/dbraw/zinc/67/64/06/557676406.db2.gz UYNVKGWNIDFWLK-FQEVSTJZSA-N 0 0 446.486 2.502 50 0 IFAARN O=C(Nc1cccc(CNC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)c1)C1CC1 ZINC000040052218 557686297 /nfs/dbraw/zinc/68/62/97/557686297.db2.gz CNARWEJYXLWHCE-PMACEKPBSA-N 0 0 441.528 2.633 50 0 IFAARN CC1=C(C(=O)O[C@@H](C)c2nc3cc(Br)cnc3[nH]2)[C@@H](C)n2ncnc2N1C ZINC000225388437 557717642 /nfs/dbraw/zinc/71/76/42/557717642.db2.gz JHLAHBWRBFFXBQ-ZJUUUORDSA-N 0 0 432.282 2.901 50 0 IFAARN C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000225436082 557722605 /nfs/dbraw/zinc/72/26/05/557722605.db2.gz VWMMRPOXJIMIBQ-GNSUPJDDSA-N 0 0 442.512 2.980 50 0 IFAARN O=C(COC[C@H]1CCCO1)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000225444993 557723544 /nfs/dbraw/zinc/72/35/44/557723544.db2.gz GUUDAYOWHOQDLL-BXUZGUMPSA-N 0 0 426.229 2.813 50 0 IFAARN O=C(CN(CCn1ccnc1)Cc1cccc(Cl)c1)NC1CCC2(CC1)OCCO2 ZINC000225480826 557727893 /nfs/dbraw/zinc/72/78/93/557727893.db2.gz WKYIRLDWSBIYDY-UHFFFAOYSA-N 0 0 432.952 2.841 50 0 IFAARN NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000225497519 557730398 /nfs/dbraw/zinc/73/03/98/557730398.db2.gz SURHQXOOSCSLFD-HNNXBMFYSA-N 0 0 427.810 2.649 50 0 IFAARN CCCCNC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CC ZINC000040450813 557734599 /nfs/dbraw/zinc/73/45/99/557734599.db2.gz RBKCSMRIEPKTEX-UHFFFAOYSA-N 0 0 445.379 2.828 50 0 IFAARN CN1C(=O)C[C@H](NC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)C1=O ZINC000225523580 557735597 /nfs/dbraw/zinc/73/55/97/557735597.db2.gz WHFPWMYWFXUOHU-HNNXBMFYSA-N 0 0 434.374 2.837 50 0 IFAARN COC(=O)C[C@](C)(NCC(=O)NCCOc1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000225571403 557744601 /nfs/dbraw/zinc/74/46/01/557744601.db2.gz OBIHNHVAZMOTHF-QFIPXVFZSA-N 0 0 434.920 2.912 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O ZINC000040478081 557753333 /nfs/dbraw/zinc/75/33/33/557753333.db2.gz IQRQBYYCNDXAST-UHFFFAOYSA-N 0 0 444.829 2.915 50 0 IFAARN CC(C)(C)[C@H](CNC(=O)Cc1ccc2c(c1)OCO2)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000225623857 557753495 /nfs/dbraw/zinc/75/34/95/557753495.db2.gz JXRNISPKOJKJFC-NRFANRHFSA-N 0 0 440.496 2.576 50 0 IFAARN O=C(NCCCCO)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000225628704 557754178 /nfs/dbraw/zinc/75/41/78/557754178.db2.gz AVATUMZSJZRHKJ-UHFFFAOYSA-N 0 0 427.320 2.752 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)[C@H]3CCCN(C(=O)c4ccncc4)C3)ccc21 ZINC000225664688 557759334 /nfs/dbraw/zinc/75/93/34/557759334.db2.gz VQUWWBWABJUYEL-IERDGZPVSA-N 0 0 449.507 2.657 50 0 IFAARN CC(C)=CC(=O)NCc1ccc(C(=O)NCCS(=O)(=O)CCc2ccccc2)cc1 ZINC000225721151 557768557 /nfs/dbraw/zinc/76/85/57/557768557.db2.gz ZNVTVWYLSNGDOJ-UHFFFAOYSA-N 0 0 428.554 2.656 50 0 IFAARN CCn1c(C)cc(O)c([C@H](c2ccc3c(c2)OCO3)c2c(O)cc(=O)n(CC)c2C)c1=O ZINC000040568630 557786446 /nfs/dbraw/zinc/78/64/46/557786446.db2.gz PHPOLOHHDILWDQ-JOCHJYFZSA-N 0 0 438.480 2.987 50 0 IFAARN O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000227064315 557811856 /nfs/dbraw/zinc/81/18/56/557811856.db2.gz CJPJSMBXTYOCDO-VKDGWMQASA-N 0 0 435.911 2.809 50 0 IFAARN COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000024985653 557828841 /nfs/dbraw/zinc/82/88/41/557828841.db2.gz CZQYECRUIQPNIS-ZUZCIYMTSA-N 0 0 433.313 2.694 50 0 IFAARN COc1ccc(Cl)cc1CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000018524832 557829070 /nfs/dbraw/zinc/82/90/70/557829070.db2.gz QAQMZINFNVTRMC-UHFFFAOYSA-N 0 0 427.979 2.972 50 0 IFAARN CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc2ccccc21 ZINC000000850078 557829501 /nfs/dbraw/zinc/82/95/01/557829501.db2.gz GIWFEZJMQGPRKV-OAHLLOKOSA-N 0 0 440.525 2.517 50 0 IFAARN C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCC[C@@H](C)[C@@H]2C)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000229417297 557832248 /nfs/dbraw/zinc/83/22/48/557832248.db2.gz MBEKJHUHBKSWHB-QYXWGXCQSA-N 0 0 430.501 2.959 50 0 IFAARN C[C@@H](NC(=O)[C@@H](C)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000229702742 557832997 /nfs/dbraw/zinc/83/29/97/557832997.db2.gz SEEIOXKGHDVQFJ-IYWMVGAKSA-N 0 0 432.584 2.514 50 0 IFAARN COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@H]43)=C2)c1 ZINC000230118683 557835346 /nfs/dbraw/zinc/83/53/46/557835346.db2.gz JPAGQUIAIQVZQO-ZAAXVRCTSA-N 0 0 431.558 2.986 50 0 IFAARN COc1cc2[nH]c(=O)n(CCCCC(=O)NCc3cccc(Cl)c3)c(=O)c2cc1OC ZINC000085942274 557835561 /nfs/dbraw/zinc/83/55/61/557835561.db2.gz LKNKVPOUOQHYQZ-UHFFFAOYSA-N 0 0 445.903 2.847 50 0 IFAARN COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc(OC)c1C ZINC000025023948 557840430 /nfs/dbraw/zinc/84/04/30/557840430.db2.gz RXSJPEMDGLTIKF-UHFFFAOYSA-N 0 0 438.933 2.812 50 0 IFAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CS(C)(=O)=O)o2)[C@@H](c2cccnc2)C1 ZINC000241126026 557846010 /nfs/dbraw/zinc/84/60/10/557846010.db2.gz JIZQRJJVSCXRAT-QGZVFWFLSA-N 0 0 449.529 2.653 50 0 IFAARN O=C(CCCS(=O)(=O)N(Cc1cccs1)Cc1cccs1)N1CCOCC1 ZINC000241383579 557846367 /nfs/dbraw/zinc/84/63/67/557846367.db2.gz MWJPCYVMOSNUFK-UHFFFAOYSA-N 0 0 428.601 2.781 50 0 IFAARN CCOCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2nccs2)C1 ZINC000241809982 557847036 /nfs/dbraw/zinc/84/70/36/557847036.db2.gz SCEAUNDPRMGEHX-KRWDZBQOSA-N 0 0 431.566 2.601 50 0 IFAARN COc1ccc(C(=O)Nc2cccc3c2CNC3=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000242140823 557847234 /nfs/dbraw/zinc/84/72/34/557847234.db2.gz WPMYJNRJVIPOMQ-UHFFFAOYSA-N 0 0 443.525 2.756 50 0 IFAARN COc1ccccc1NC(=O)COc1ccc(C(=O)N2CC[C@@H](O)C2(C)C)cc1OC ZINC000242302254 557847546 /nfs/dbraw/zinc/84/75/46/557847546.db2.gz YQVSPLBTJYUMOA-HXUWFJFHSA-N 0 0 428.485 2.707 50 0 IFAARN O=C(Nc1ccccc1N1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000018839851 557862331 /nfs/dbraw/zinc/86/23/31/557862331.db2.gz YWKHLGVANLHOGB-UHFFFAOYSA-N 0 0 433.505 2.699 50 0 IFAARN O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Br)cc1 ZINC000001023634 562920021 /nfs/dbraw/zinc/92/00/21/562920021.db2.gz BJWXNJXPBSQTEG-WBVHZDCISA-N 0 0 448.269 2.809 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1)c1ccccc1 ZINC000001063148 562920290 /nfs/dbraw/zinc/92/02/90/562920290.db2.gz BSQDQECFHQNRHZ-OAHLLOKOSA-N 0 0 438.933 2.617 50 0 IFAARN CCn1c2ccccc2c2nnc(SCC(=O)OCN3C(=O)c4ccccc4C3=O)nc21 ZINC000001196780 562920823 /nfs/dbraw/zinc/92/08/23/562920823.db2.gz HUHWHIIFALZXTI-UHFFFAOYSA-N 0 0 447.476 2.888 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000001425837 562921852 /nfs/dbraw/zinc/92/18/52/562921852.db2.gz ZYVYVWIQNCXEAV-UHFFFAOYSA-N 0 0 430.404 2.897 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002225513 562926407 /nfs/dbraw/zinc/92/64/07/562926407.db2.gz UJHXXLFVTXHFBH-WBVHZDCISA-N 0 0 430.888 2.857 50 0 IFAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(C(=O)OC)cc3)N2C1=O ZINC000002247693 562926656 /nfs/dbraw/zinc/92/66/56/562926656.db2.gz GJVSZPHCDCMKTK-DOTOQJQBSA-N 0 0 432.498 2.702 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC ZINC000002382984 562927308 /nfs/dbraw/zinc/92/73/08/562927308.db2.gz BHYVNMFOXJCMMI-UHFFFAOYSA-N 0 0 440.543 2.679 50 0 IFAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)NC[C@@H]1CCCO1 ZINC000002459549 562928033 /nfs/dbraw/zinc/92/80/33/562928033.db2.gz SGWJMKCMBVABEB-AWEZNQCLSA-N 0 0 437.974 2.921 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1C ZINC000002634405 562928888 /nfs/dbraw/zinc/92/88/88/562928888.db2.gz CAZNEIZGBNRMJF-UHFFFAOYSA-N 0 0 435.498 2.707 50 0 IFAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC2CC2)c1 ZINC000002634891 562928905 /nfs/dbraw/zinc/92/89/05/562928905.db2.gz IFSXTZNCTDDNNN-UHFFFAOYSA-N 0 0 440.880 2.740 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000002657303 562929488 /nfs/dbraw/zinc/92/94/88/562929488.db2.gz ZNMADMSPOIFMEC-OAQYLSRUSA-N 0 0 429.542 2.705 50 0 IFAARN Cc1cc(NC(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)ccc1Br ZINC000002658363 562929548 /nfs/dbraw/zinc/92/95/48/562929548.db2.gz AQJSCOXPJUCONO-DYVFJYSZSA-N 0 0 427.320 2.693 50 0 IFAARN CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000002664342 562929686 /nfs/dbraw/zinc/92/96/86/562929686.db2.gz XKSMEOAVHYKWJR-UHFFFAOYSA-N 0 0 437.521 2.945 50 0 IFAARN CCOC(Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(C)on1)OCC ZINC000002971832 562931352 /nfs/dbraw/zinc/93/13/52/562931352.db2.gz AOVKJQPEXIQPLD-UHFFFAOYSA-N 0 0 432.502 2.823 50 0 IFAARN CCOC(=O)N1CCN(C(=S)NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000003257200 562933411 /nfs/dbraw/zinc/93/34/11/562933411.db2.gz CSFHVNDHKLMIID-UHFFFAOYSA-N 0 0 434.743 2.891 50 0 IFAARN COC[C@@H](C)NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 ZINC000003288114 562933730 /nfs/dbraw/zinc/93/37/30/562933730.db2.gz NEFZWPZYUJWWTO-OAHLLOKOSA-N 0 0 441.557 2.503 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(Br)s2)cc1 ZINC000003294741 562933808 /nfs/dbraw/zinc/93/38/08/562933808.db2.gz NHCGYYGTUSDBLJ-UHFFFAOYSA-N 0 0 432.317 2.523 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)NCc1ccco1 ZINC000003316573 562934136 /nfs/dbraw/zinc/93/41/36/562934136.db2.gz DNRCLRAFDYDHME-UHFFFAOYSA-N 0 0 440.477 2.504 50 0 IFAARN COc1ccc(CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)cc1 ZINC000003340722 562934452 /nfs/dbraw/zinc/93/44/52/562934452.db2.gz DYRKKPQWIITCRN-KRWDZBQOSA-N 0 0 426.535 2.551 50 0 IFAARN CN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000003402310 562935253 /nfs/dbraw/zinc/93/52/53/562935253.db2.gz DAEAWKOMNJOUNC-MRXNPFEDSA-N 0 0 436.603 2.517 50 0 IFAARN O=C(Nc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1)c1ccco1 ZINC000003408105 562935296 /nfs/dbraw/zinc/93/52/96/562935296.db2.gz VPRQNJYOYHAIJU-UHFFFAOYSA-N 0 0 429.454 2.740 50 0 IFAARN CC(C)CCN(C(=O)Cc1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003437189 562935858 /nfs/dbraw/zinc/93/58/58/562935858.db2.gz IUUNRFGUCIVULF-UHFFFAOYSA-N 0 0 438.503 2.928 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCc4ccccc43)CC2)cc1 ZINC000003451123 562935993 /nfs/dbraw/zinc/93/59/93/562935993.db2.gz AXZLTZBHBUTXEI-UHFFFAOYSA-N 0 0 442.537 2.528 50 0 IFAARN O=C(CSc1nnnn1-c1ccc(Cl)cc1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003493097 562936265 /nfs/dbraw/zinc/93/62/65/562936265.db2.gz XQNXZPNPMFRPFI-UHFFFAOYSA-N 0 0 446.876 2.527 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cncc(Br)c3)CC2)c1 ZINC000003491186 562936275 /nfs/dbraw/zinc/93/62/75/562936275.db2.gz XAHCSVCOUZNIFT-UHFFFAOYSA-N 0 0 438.347 2.608 50 0 IFAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)c(F)c1F ZINC000003561484 562936420 /nfs/dbraw/zinc/93/64/20/562936420.db2.gz UBUXHEKDKYNPHU-FPYGCLRLSA-N 0 0 426.416 2.777 50 0 IFAARN COc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000003660327 562937523 /nfs/dbraw/zinc/93/75/23/562937523.db2.gz SQENAIOQAYJXEZ-UHFFFAOYSA-N 0 0 446.438 2.902 50 0 IFAARN Cc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000003959429 562940095 /nfs/dbraw/zinc/94/00/95/562940095.db2.gz URROWPGYUXEUKK-QGZVFWFLSA-N 0 0 444.582 2.759 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C[C@@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 ZINC000006073795 562946176 /nfs/dbraw/zinc/94/61/76/562946176.db2.gz YDIZVMJXLOHKNT-SFHVURJKSA-N 0 0 425.466 2.921 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000006184500 562946499 /nfs/dbraw/zinc/94/64/99/562946499.db2.gz FOZQTSNSJISQOU-UHFFFAOYSA-N 0 0 444.538 2.787 50 0 IFAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000006576988 562947375 /nfs/dbraw/zinc/94/73/75/562947375.db2.gz UWYOPWDMFYQLFQ-HXUWFJFHSA-N 0 0 430.574 2.631 50 0 IFAARN COc1cccc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2C)c1 ZINC000006578137 562948044 /nfs/dbraw/zinc/94/80/44/562948044.db2.gz OXAXBZKTULMWID-UHFFFAOYSA-N 0 0 441.538 2.979 50 0 IFAARN COc1cccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)c1 ZINC000006578206 562948093 /nfs/dbraw/zinc/94/80/93/562948093.db2.gz GTXCQUJBKCEAFT-HKBQPEDESA-N 0 0 442.493 2.952 50 0 IFAARN CCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000008589449 562951227 /nfs/dbraw/zinc/95/12/27/562951227.db2.gz UGHDPDSYKLCPSY-KRWDZBQOSA-N 0 0 443.569 2.701 50 0 IFAARN COc1ccc(NC(=O)c2nnn(CC(=O)Nc3c(C)cc(C)cc3C)c2N)cc1OC ZINC000008595423 562953446 /nfs/dbraw/zinc/95/34/46/562953446.db2.gz XCASUYDYWMRMPW-UHFFFAOYSA-N 0 0 438.488 2.694 50 0 IFAARN CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000008596534 562953837 /nfs/dbraw/zinc/95/38/37/562953837.db2.gz IWEUGZAFQLPLDW-UHFFFAOYSA-N 0 0 429.542 2.966 50 0 IFAARN O=C(NCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1 ZINC000008598657 562954362 /nfs/dbraw/zinc/95/43/62/562954362.db2.gz RANMZBXDRKSPAQ-LJQANCHMSA-N 0 0 441.553 2.679 50 0 IFAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)cc1 ZINC000008600881 562955101 /nfs/dbraw/zinc/95/51/01/562955101.db2.gz YELSELNCEJNSSY-UHFFFAOYSA-N 0 0 439.537 2.554 50 0 IFAARN O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008601627 562955489 /nfs/dbraw/zinc/95/54/89/562955489.db2.gz TWJJUFUDRIFOAW-SFHVURJKSA-N 0 0 445.516 2.536 50 0 IFAARN Cc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1C ZINC000008601612 562955491 /nfs/dbraw/zinc/95/54/91/562955491.db2.gz JASFOGNYTXDQAP-IBGZPJMESA-N 0 0 441.553 2.623 50 0 IFAARN COc1ccc2nc(N3CCN(C(=O)CS(=O)(=O)c4ccc(C)cc4)CC3)sc2c1 ZINC000008601707 562955588 /nfs/dbraw/zinc/95/55/88/562955588.db2.gz IVWUBDOSOXXLCE-UHFFFAOYSA-N 0 0 445.566 2.736 50 0 IFAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1cccc(F)c1)[nH]c2=O ZINC000008602082 562955757 /nfs/dbraw/zinc/95/57/57/562955757.db2.gz SITDFDUREHSVSV-UHFFFAOYSA-N 0 0 425.445 2.987 50 0 IFAARN COc1ccccc1NC(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n21 ZINC000008603081 562955942 /nfs/dbraw/zinc/95/59/42/562955942.db2.gz BRJZSFAYNWJTLI-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2C)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000008603495 562955984 /nfs/dbraw/zinc/95/59/84/562955984.db2.gz LLDKWZBKWZISAI-HXUWFJFHSA-N 0 0 428.510 2.867 50 0 IFAARN CCOc1ccc(CCNC(=O)c2cnc3sc(N4CCCCCC4)nn3c2=O)cc1 ZINC000008603830 562956120 /nfs/dbraw/zinc/95/61/20/562956120.db2.gz TWAYFJOLFBNFTQ-UHFFFAOYSA-N 0 0 441.557 2.903 50 0 IFAARN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000008607883 562957335 /nfs/dbraw/zinc/95/73/35/562957335.db2.gz NSUORVRNXYXWAX-UHFFFAOYSA-N 0 0 430.486 2.661 50 0 IFAARN Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)ccc1Br ZINC000008608334 562957501 /nfs/dbraw/zinc/95/75/01/562957501.db2.gz SCTRFRMOGXNPRN-CYBMUJFWSA-N 0 0 441.351 2.530 50 0 IFAARN Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)ccc21 ZINC000008609358 562957791 /nfs/dbraw/zinc/95/77/91/562957791.db2.gz OIGJLWAPNSLZGV-UHFFFAOYSA-N 0 0 425.554 2.938 50 0 IFAARN CSc1ncc(Cl)c(C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008612045 562958939 /nfs/dbraw/zinc/95/89/39/562958939.db2.gz JRWDRIQHHIXBIH-CQSZACIVSA-N 0 0 425.963 2.990 50 0 IFAARN COc1cc(CN(C(=O)c2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000008612555 562959269 /nfs/dbraw/zinc/95/92/69/562959269.db2.gz HZPDXRBYPMDHEY-OAHLLOKOSA-N 0 0 437.489 2.681 50 0 IFAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1C(=O)NCc1ccc(F)cc1 ZINC000008661182 562960371 /nfs/dbraw/zinc/96/03/71/562960371.db2.gz XFNHVTZQWSNOGG-UHFFFAOYSA-N 0 0 432.473 2.831 50 0 IFAARN COc1ccc(CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@H]23)cc1 ZINC000008670924 562960785 /nfs/dbraw/zinc/96/07/85/562960785.db2.gz TZFCXDIMQUVMAB-QFIPXVFZSA-N 0 0 429.542 2.663 50 0 IFAARN O=C(NC1CCCCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000008671774 562960992 /nfs/dbraw/zinc/96/09/92/562960992.db2.gz SOYMLSZZTPYZJB-FQEVSTJZSA-N 0 0 433.574 2.954 50 0 IFAARN O=C(NC1CCCCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000008671773 562961014 /nfs/dbraw/zinc/96/10/14/562961014.db2.gz SOYMLSZZTPYZJB-HXUWFJFHSA-N 0 0 433.574 2.954 50 0 IFAARN COc1ccc(OC)c2sc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc21 ZINC000008673544 562961240 /nfs/dbraw/zinc/96/12/40/562961240.db2.gz KWJITWTVWHAMLI-GOSISDBHSA-N 0 0 441.509 2.802 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)c1 ZINC000008686974 562962894 /nfs/dbraw/zinc/96/28/94/562962894.db2.gz HEXBFPZSNLBCAK-UHFFFAOYSA-N 0 0 447.538 2.661 50 0 IFAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cccc(-n2cnnn2)c1 ZINC000008855537 562965287 /nfs/dbraw/zinc/96/52/87/562965287.db2.gz SQTHHZUZEIXIBV-UHFFFAOYSA-N 0 0 432.440 2.545 50 0 IFAARN Cc1cc(OCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(C)c(C)c(=O)oc2c1 ZINC000008877079 562965582 /nfs/dbraw/zinc/96/55/82/562965582.db2.gz IBZVPUIHHNSFOT-MSOLQXFVSA-N 0 0 434.492 2.905 50 0 IFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)C1=O ZINC000008902064 562965872 /nfs/dbraw/zinc/96/58/72/562965872.db2.gz CCSWWMVEYGWXKI-LFVRLGFBSA-N 0 0 438.459 2.747 50 0 IFAARN C[C@@H](C(=O)NCCc1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008918040 562966084 /nfs/dbraw/zinc/96/60/84/562966084.db2.gz CPFKTTQCEPZJGA-LMKMVOKYSA-N 0 0 430.508 2.951 50 0 IFAARN Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000008930036 562966127 /nfs/dbraw/zinc/96/61/27/562966127.db2.gz CDVKZCIGDTXRMI-UHFFFAOYSA-N 0 0 446.525 2.699 50 0 IFAARN Cc1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000009431320 562970681 /nfs/dbraw/zinc/97/06/81/562970681.db2.gz QHDCUYPPWQXTEJ-HNNXBMFYSA-N 0 0 442.331 2.945 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(F)cc1F ZINC000009033956 562966676 /nfs/dbraw/zinc/96/66/76/562966676.db2.gz SUHJYAOFQCJYHR-XOBRGWDASA-N 0 0 432.379 2.781 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 ZINC000009042494 562966695 /nfs/dbraw/zinc/96/66/95/562966695.db2.gz JFPWEJKDXXSSSY-VVBPWWLESA-N 0 0 443.544 2.748 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(F)cc1 ZINC000009090924 562966933 /nfs/dbraw/zinc/96/69/33/562966933.db2.gz SDXJWAQGFRGHQK-UHFFFAOYSA-N 0 0 433.505 2.699 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000009124735 562967442 /nfs/dbraw/zinc/96/74/42/562967442.db2.gz RKIKVOMPQVINRE-UHFFFAOYSA-N 0 0 430.526 2.643 50 0 IFAARN COc1cccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccc(F)cc3)s2)c1 ZINC000009224661 562968260 /nfs/dbraw/zinc/96/82/60/562968260.db2.gz SBLRCOMWUWGHDR-UHFFFAOYSA-N 0 0 436.490 2.759 50 0 IFAARN COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3cccc(OC)c3)s2)cc1 ZINC000009224674 562968292 /nfs/dbraw/zinc/96/82/92/562968292.db2.gz ABDKSTCTGOHZIO-UHFFFAOYSA-N 0 0 448.526 2.628 50 0 IFAARN O=C(COc1ccc(Br)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000009216460 562968303 /nfs/dbraw/zinc/96/83/03/562968303.db2.gz QGIIAFMMTCVRBO-AWEZNQCLSA-N 0 0 428.304 2.637 50 0 IFAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009269078 562968631 /nfs/dbraw/zinc/96/86/31/562968631.db2.gz FOJACBZUNUMTAY-UHFFFAOYSA-N 0 0 429.498 2.952 50 0 IFAARN Cc1ccc2c(COC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc(=O)oc2c1 ZINC000009284026 562968809 /nfs/dbraw/zinc/96/88/09/562968809.db2.gz WXPNAWAKHBCPJH-OAHLLOKOSA-N 0 0 435.432 2.969 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)cc1 ZINC000009288690 562968909 /nfs/dbraw/zinc/96/89/09/562968909.db2.gz CKOPPPYIZRXGNB-GFCCVEGCSA-N 0 0 445.522 2.700 50 0 IFAARN COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)cc1OC ZINC000009302941 562969136 /nfs/dbraw/zinc/96/91/36/562969136.db2.gz ASIHLVQFFIPHOH-UHFFFAOYSA-N 0 0 444.488 2.876 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccncc4)o3)cc2)CC1 ZINC000009428087 562970496 /nfs/dbraw/zinc/97/04/96/562970496.db2.gz ZCOZJNBTEIVXLI-UHFFFAOYSA-N 0 0 427.486 2.805 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c1C ZINC000009442042 562971258 /nfs/dbraw/zinc/97/12/58/562971258.db2.gz ZRTPMHSAZPJCLT-UHFFFAOYSA-N 0 0 434.514 2.545 50 0 IFAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2C=CC=NN21 ZINC000009462575 562971455 /nfs/dbraw/zinc/97/14/55/562971455.db2.gz DQEYTLQUFZOHQU-MKXGPGLRSA-N 0 0 438.846 2.832 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(C2CC2)n1C1CC1 ZINC000009465309 562971642 /nfs/dbraw/zinc/97/16/42/562971642.db2.gz MRDRNLHHVIISTI-UHFFFAOYSA-N 0 0 435.575 2.780 50 0 IFAARN COc1ccc(NC(=O)CN(C)C(=O)[C@@H](CCSC)NC(=O)c2ccccc2)cc1 ZINC000009492184 562972059 /nfs/dbraw/zinc/97/20/59/562972059.db2.gz JDUAKAGCPYLCDJ-LJQANCHMSA-N 0 0 429.542 2.644 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000009492963 562972160 /nfs/dbraw/zinc/97/21/60/562972160.db2.gz QHWBIBNPKHGJAJ-UHFFFAOYSA-N 0 0 443.525 2.769 50 0 IFAARN COC(=O)c1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1 ZINC000009494072 562972218 /nfs/dbraw/zinc/97/22/18/562972218.db2.gz AWGGNGWDVYAYRO-UHFFFAOYSA-N 0 0 446.525 2.633 50 0 IFAARN COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1 ZINC000009493339 562972230 /nfs/dbraw/zinc/97/22/30/562972230.db2.gz UKTANIMWGGFUBS-FQEVSTJZSA-N 0 0 446.301 2.541 50 0 IFAARN O=C(Cn1cc(C(=O)C(=O)NCCCn2ccnc2)c2ccccc21)N1CCCCCC1 ZINC000009518928 562972887 /nfs/dbraw/zinc/97/28/87/562972887.db2.gz VWTPHXRBRUULNV-UHFFFAOYSA-N 0 0 435.528 2.630 50 0 IFAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N[C@H]1CCS(=O)(=O)C1 ZINC000009612449 562974103 /nfs/dbraw/zinc/97/41/03/562974103.db2.gz DHGPJYLUAKPLQR-KRWDZBQOSA-N 0 0 440.550 2.601 50 0 IFAARN COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000009664744 562975054 /nfs/dbraw/zinc/97/50/54/562975054.db2.gz QEAUKIUXCRDYKO-UHFFFAOYSA-N 0 0 434.514 2.514 50 0 IFAARN COc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C ZINC000009673212 562975267 /nfs/dbraw/zinc/97/52/67/562975267.db2.gz AXGBIOYDYFLZIH-UHFFFAOYSA-N 0 0 444.509 2.701 50 0 IFAARN CCn1cc(C(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000009726404 562976126 /nfs/dbraw/zinc/97/61/26/562976126.db2.gz RMOYJAHXTYRBMH-UHFFFAOYSA-N 0 0 431.558 2.678 50 0 IFAARN Cc1nn(CC(=O)NCc2ccc(OC(C)C)cc2)c(=O)c2cc(-c3ccccc3)nn21 ZINC000009727671 562976167 /nfs/dbraw/zinc/97/61/67/562976167.db2.gz GBTOYGWIBVOXQK-UHFFFAOYSA-N 0 0 431.496 2.970 50 0 IFAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1F ZINC000009743214 562976342 /nfs/dbraw/zinc/97/63/42/562976342.db2.gz KOVDODCWZIEUOP-MRXNPFEDSA-N 0 0 433.505 2.514 50 0 IFAARN CC[C@@H](C)NC(=O)CNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2ccccc21 ZINC000009776013 562976754 /nfs/dbraw/zinc/97/67/54/562976754.db2.gz QWZSGRDELACMRZ-CYBMUJFWSA-N 0 0 442.903 2.692 50 0 IFAARN CCN(CC)C(=O)CNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2ccccc21 ZINC000009776203 562976771 /nfs/dbraw/zinc/97/67/71/562976771.db2.gz VTDCIJWDLIDFSY-UHFFFAOYSA-N 0 0 442.903 2.646 50 0 IFAARN COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC000009782711 562976825 /nfs/dbraw/zinc/97/68/25/562976825.db2.gz MSAHBZSAHSLWLT-MRXNPFEDSA-N 0 0 430.526 2.824 50 0 IFAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3C[C@H](C)C[C@@H](C)C3)c3ccccc3c2=O)cc1 ZINC000009833461 562977310 /nfs/dbraw/zinc/97/73/10/562977310.db2.gz RYJVVAQLOKXGKO-IAGOWNOFSA-N 0 0 448.523 2.629 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000009892519 562977716 /nfs/dbraw/zinc/97/77/16/562977716.db2.gz GQHXQCRPIKDASM-OXQOHEQNSA-N 0 0 442.512 2.959 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)CC2=O)cc1 ZINC000009963802 562978080 /nfs/dbraw/zinc/97/80/80/562978080.db2.gz ZTJDURDJLWKEJG-MRXNPFEDSA-N 0 0 432.484 2.911 50 0 IFAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000009986284 562978220 /nfs/dbraw/zinc/97/82/20/562978220.db2.gz VCDGIVPPOPNIBX-UHFFFAOYSA-N 0 0 429.542 2.799 50 0 IFAARN COc1ccc(C(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(OC)c1 ZINC000009985624 562978249 /nfs/dbraw/zinc/97/82/49/562978249.db2.gz MYIBYBGABOEKKY-LFVRLGFBSA-N 0 0 446.500 2.567 50 0 IFAARN CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2csc(C(C)C)n2)cc1 ZINC000011874676 562979602 /nfs/dbraw/zinc/97/96/02/562979602.db2.gz SLTNROFCOFYVKY-IBGZPJMESA-N 0 0 430.574 2.672 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000012292173 562980989 /nfs/dbraw/zinc/98/09/89/562980989.db2.gz VIDGKUXEHFUWDZ-LJQANCHMSA-N 0 0 448.516 2.581 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)n2)c(OC)c1 ZINC000012852714 562983241 /nfs/dbraw/zinc/98/32/41/562983241.db2.gz UPXKLTKGDSBJDF-OKILXGFUSA-N 0 0 429.498 2.941 50 0 IFAARN CC1CCN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)CC1 ZINC000012929081 562983491 /nfs/dbraw/zinc/98/34/91/562983491.db2.gz QOYIGQKEXVLEMB-SFHVURJKSA-N 0 0 428.558 2.981 50 0 IFAARN COCCNc1nnc(S[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)s1 ZINC000012979610 562983784 /nfs/dbraw/zinc/98/37/84/562983784.db2.gz QOFPQIMVPPLFRO-ZDUSSCGKSA-N 0 0 448.574 2.514 50 0 IFAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000013002481 562983907 /nfs/dbraw/zinc/98/39/07/562983907.db2.gz KRNNTBXPQFEJPX-UHFFFAOYSA-N 0 0 443.301 2.715 50 0 IFAARN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCN1C(=O)c2ccccc2C1=O ZINC000013004888 562983959 /nfs/dbraw/zinc/98/39/59/562983959.db2.gz BJEITZOGNLALLM-GOSISDBHSA-N 0 0 426.494 2.643 50 0 IFAARN CN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000013012112 562984076 /nfs/dbraw/zinc/98/40/76/562984076.db2.gz DTXDOVWOBGRUER-UHFFFAOYSA-N 0 0 438.933 2.512 50 0 IFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)CC2)cc1 ZINC000015327814 563017829 /nfs/dbraw/zinc/01/78/29/563017829.db2.gz TWEOOGHKGYXXRJ-UHFFFAOYSA-N 0 0 441.553 2.699 50 0 IFAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCCC3=O)c2)cc1 ZINC000015421276 563017886 /nfs/dbraw/zinc/01/78/86/563017886.db2.gz JSWXPDDMZPOKTG-UHFFFAOYSA-N 0 0 429.542 2.562 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3cccc(Cl)c3)cc2C[C@@H]1C ZINC000015935489 563018590 /nfs/dbraw/zinc/01/85/90/563018590.db2.gz BARFFDVUHYTMBU-ZDUSSCGKSA-N 0 0 435.933 2.945 50 0 IFAARN CCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1 ZINC000015936362 563018770 /nfs/dbraw/zinc/01/87/70/563018770.db2.gz JNACVVWTDDVCOE-OAHLLOKOSA-N 0 0 445.541 2.690 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)C[S@](=O)Cc2nc(-c3ccccc3C)oc2C)CC1 ZINC000015937046 563019150 /nfs/dbraw/zinc/01/91/50/563019150.db2.gz XNCFLRVVDJMYCT-HKBQPEDESA-N 0 0 447.557 2.944 50 0 IFAARN COc1cccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)c1 ZINC000015942621 563019706 /nfs/dbraw/zinc/01/97/06/563019706.db2.gz RHSJNIVPLDIJKO-UHFFFAOYSA-N 0 0 436.516 2.696 50 0 IFAARN O=C(CNC(=O)c1ccc(OC(F)F)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000033028295 563084289 /nfs/dbraw/zinc/08/42/89/563084289.db2.gz PRMRKWZPABTIEU-QPJJXVBHSA-N 0 0 429.467 2.875 50 0 IFAARN CCOCCCNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000036067075 563090811 /nfs/dbraw/zinc/09/08/11/563090811.db2.gz GCDKIPRJYISBES-HXUWFJFHSA-N 0 0 433.936 2.975 50 0 IFAARN COc1cc2nc(-c3cc(F)ccc3[O-])nc(N[C@@H]3C[NH2+]C[C@H]3C(C)(C)O)c2cc1OC ZINC000058638704 563145925 /nfs/dbraw/zinc/14/59/25/563145925.db2.gz HZASIAXCPXTISQ-NVXWUHKLSA-N 0 0 442.491 2.930 50 0 in-vivo IFAARN CCCC(=O)OC[C@@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C1CC1 ZINC000104989772 568624042 /nfs/dbraw/zinc/62/40/42/568624042.db2.gz GKUPANNAZHCMQZ-ZFWWWQNUSA-N 0 0 433.574 2.778 50 0 IFAARN COc1ccc(N[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N(C)C ZINC000018942460 568628811 /nfs/dbraw/zinc/62/88/11/568628811.db2.gz XWSVOFNXXLKAAV-XSXQVXRUSA-N 0 0 435.590 2.831 50 0 IFAARN CCn1nc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)c2ccccc2c1=O ZINC000018948228 568629022 /nfs/dbraw/zinc/62/90/22/568629022.db2.gz WUXFEOCCYRJQIY-UHFFFAOYSA-N 0 0 446.463 2.887 50 0 IFAARN C[C@@H](OC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000018995243 568631100 /nfs/dbraw/zinc/63/11/00/568631100.db2.gz WGPNERQCZOVUHG-CQSZACIVSA-N 0 0 449.463 2.963 50 0 IFAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CSc2nc(C)cc(C)n2)CC1 ZINC000025154109 568643589 /nfs/dbraw/zinc/64/35/89/568643589.db2.gz UCIUEWYYTLIJQW-IBGZPJMESA-N 0 0 448.976 2.897 50 0 IFAARN CC(=O)O[C@@H]1CC[C@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@@]1(C)CC[C@@H]34 ZINC000254702320 568644891 /nfs/dbraw/zinc/64/48/91/568644891.db2.gz IRJWPUOTLSQRFN-NHYUJLAZSA-N 0 0 444.524 2.835 50 0 IFAARN COc1cc(OC)cc([C@H](NC(=O)[C@H](C)n2c(=O)oc3ccccc32)c2nccn2C)c1 ZINC000025160658 568645541 /nfs/dbraw/zinc/64/55/41/568645541.db2.gz DYCCXPYWSFRCPW-XOBRGWDASA-N 0 0 436.468 2.812 50 0 IFAARN COC(=O)c1ccc(N2C(=O)C(Sc3ccc(C)cc3)=C(N3CCOCC3)C2=O)cc1 ZINC000000956200 568645821 /nfs/dbraw/zinc/64/58/21/568645821.db2.gz XWEIGCUDYBGLAX-UHFFFAOYSA-N 0 0 438.505 2.991 50 0 IFAARN CCc1c(-c2ccccc2)n(C[C@H](O)c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000000974285 568647829 /nfs/dbraw/zinc/64/78/29/568647829.db2.gz VHCWXFVSNVGSEN-IBGZPJMESA-N 0 0 443.507 2.649 50 0 IFAARN CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(Br)s2)c2ccccc21 ZINC000000990093 568649064 /nfs/dbraw/zinc/64/90/64/568649064.db2.gz JHFJNRRLJVDLBD-SFHVURJKSA-N 0 0 438.299 2.881 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@]2(c2ccc(C)cc2)NN1 ZINC000001014096 568652056 /nfs/dbraw/zinc/65/20/56/568652056.db2.gz XAZAPOIETXHKIA-JTSKRJEESA-N 0 0 425.872 2.864 50 0 IFAARN CN1C(=O)c2ccc(C(=O)NCCNc3ncc(C(F)(F)F)cc3Cl)cc2C1=O ZINC000025339525 568654305 /nfs/dbraw/zinc/65/43/05/568654305.db2.gz PPXQCQKQQJPXPI-UHFFFAOYSA-N 0 0 426.782 2.822 50 0 IFAARN CCC(CC)NC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C(C)C ZINC000005981406 568739924 /nfs/dbraw/zinc/73/99/24/568739924.db2.gz DMUSDVBVBOWBJR-IBGZPJMESA-N 0 0 425.595 2.776 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)NCc1ccc(Cl)cc1 ZINC000019106712 568739830 /nfs/dbraw/zinc/73/98/30/568739830.db2.gz YVKXIMYXPZJTRR-INIZCTEOSA-N 0 0 438.962 2.964 50 0 IFAARN O=C(/C=C/c1ccco1)N1CCC(CNC(=O)C(=O)NCc2ccccc2Cl)CC1 ZINC000043942851 568743948 /nfs/dbraw/zinc/74/39/48/568743948.db2.gz TYJNAWVULQICAU-BQYQJAHWSA-N 0 0 429.904 2.617 50 0 IFAARN COc1ccccc1NC(=O)COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000003393550 568748509 /nfs/dbraw/zinc/74/85/09/568748509.db2.gz DPZBLFMFIVIRJQ-HTAPYJJXSA-N 0 0 444.484 2.907 50 0 IFAARN COc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003521177 568750339 /nfs/dbraw/zinc/75/03/39/568750339.db2.gz OAWYBWCEPOHQGX-CYBMUJFWSA-N 0 0 428.466 2.680 50 0 IFAARN COc1ccc(-c2cc(=NC(=O)Cc3cccs3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158569 568750832 /nfs/dbraw/zinc/75/08/32/568750832.db2.gz VMWTUKCGSXRSAW-OAHLLOKOSA-N 0 0 431.539 2.583 50 0 IFAARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(c3ccccc3F)C2=O)cc1OC ZINC000003627113 568752052 /nfs/dbraw/zinc/75/20/52/568752052.db2.gz LOBAHERHRVIINR-GOSISDBHSA-N 0 0 441.337 2.588 50 0 IFAARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccccc3F)C2=O)cc1OC ZINC000003627111 568752095 /nfs/dbraw/zinc/75/20/95/568752095.db2.gz LOBAHERHRVIINR-SFHVURJKSA-N 0 0 441.337 2.588 50 0 IFAARN O=C(C1CCN(c2cccc3c2C(=O)N(Cc2ccsc2)C3=O)CC1)N1CCOCC1 ZINC000299769624 568756598 /nfs/dbraw/zinc/75/65/98/568756598.db2.gz OUSQFVUALVXPLN-UHFFFAOYSA-N 0 0 439.537 2.620 50 0 IFAARN O=C(C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)N1CCc2n[nH]cc2C1 ZINC000299771234 568756608 /nfs/dbraw/zinc/75/66/08/568756608.db2.gz URRFXULIULBWRT-HSZRJFAPSA-N 0 0 434.521 2.643 50 0 IFAARN O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)NC1Cc3ccccc3C1)C2)c1ccncc1 ZINC000299779357 568757004 /nfs/dbraw/zinc/75/70/04/568757004.db2.gz NJBHRZCQLBZJQI-MRXNPFEDSA-N 0 0 432.505 2.819 50 0 IFAARN COc1cccc(CCN2C(=O)CC[C@@H]3CN(C(=O)c4n[nH]c5c4CCCC5)CC[C@@H]32)c1 ZINC000299783843 568757212 /nfs/dbraw/zinc/75/72/12/568757212.db2.gz XLPKFJMZIQRZDW-GCJKJVERSA-N 0 0 436.556 2.993 50 0 IFAARN Cc1noc(C)c1C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000299785035 568757307 /nfs/dbraw/zinc/75/73/07/568757307.db2.gz QFSRWBBJYQJUHK-IBGZPJMESA-N 0 0 442.585 2.940 50 0 IFAARN O=C(C[C@]1(c2ccccc2)CC(=O)N(CCn2ccnc2)C1=O)N1CCc2ccccc2C1 ZINC000299781284 568757316 /nfs/dbraw/zinc/75/73/16/568757316.db2.gz RJDHQAJCXKJWRK-AREMUKBSSA-N 0 0 442.519 2.555 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cnn(-c3ccccn3)c2C)c1 ZINC000031875197 568758668 /nfs/dbraw/zinc/75/86/68/568758668.db2.gz SBKYXOIHIJSATO-UHFFFAOYSA-N 0 0 443.529 2.867 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1)N1CCCCCC1 ZINC000015357326 568759665 /nfs/dbraw/zinc/75/96/65/568759665.db2.gz IEVIJGOTDVEDHH-UHFFFAOYSA-N 0 0 434.389 2.702 50 0 IFAARN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000059002886 568759856 /nfs/dbraw/zinc/75/98/56/568759856.db2.gz PJKQGYFWNDHPIA-ZDUSSCGKSA-N 0 0 447.417 2.963 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccccc2OC)cc1 ZINC000015391197 568761544 /nfs/dbraw/zinc/76/15/44/568761544.db2.gz ZRCHMODISVVLRF-SFHVURJKSA-N 0 0 432.542 2.954 50 0 IFAARN Cc1ccc(OCC(=O)N2CCN(Cc3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)cc1 ZINC000263615438 568775913 /nfs/dbraw/zinc/77/59/13/568775913.db2.gz CKBXJQSCKXKCBO-XMMPIXPASA-N 0 0 447.539 2.581 50 0 IFAARN COc1ccc([C@H]2Cn3nnc(CN4CCN(C(=O)Nc5ccccc5)CC4)c3CO2)cc1 ZINC000263615201 568775949 /nfs/dbraw/zinc/77/59/49/568775949.db2.gz BCFUIYNNYHGXKQ-HSZRJFAPSA-N 0 0 448.527 2.908 50 0 IFAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5cccc(OC)c5)CC4)c3CO2)cc1 ZINC000263617989 568777420 /nfs/dbraw/zinc/77/74/20/568777420.db2.gz QUJRDLSZGPXBMN-JOCHJYFZSA-N 0 0 449.511 2.529 50 0 IFAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5C)CC4)c3CO2)cc1 ZINC000263618031 568777479 /nfs/dbraw/zinc/77/74/79/568777479.db2.gz QYEHMZHVSXLLOU-JOCHJYFZSA-N 0 0 433.512 2.829 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O ZINC000263618428 568777648 /nfs/dbraw/zinc/77/76/48/568777648.db2.gz SYAHEHSIQQNHMM-KRWDZBQOSA-N 0 0 448.498 2.932 50 0 IFAARN O=C(NC1CCCC1)NC1CCN(Cc2nnn3c2CO[C@@H](c2cccc(F)c2)C3)CC1 ZINC000263619164 568777813 /nfs/dbraw/zinc/77/78/13/568777813.db2.gz XGZCPLLHFPWKRB-JOCHJYFZSA-N 0 0 442.539 2.895 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000263618082 568778054 /nfs/dbraw/zinc/77/80/54/568778054.db2.gz RDVHHWVHYONEEP-OAQYLSRUSA-N 0 0 437.475 2.660 50 0 IFAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)N4CCC[C@H]4C(N)=O)ccc23)cc1 ZINC000032123988 568781703 /nfs/dbraw/zinc/78/17/03/568781703.db2.gz OPRJABLDOVQOBP-IBGZPJMESA-N 0 0 436.464 2.632 50 0 IFAARN O=C(CS(=O)(=O)c1ccc(Br)cc1)Nc1nnc(C(F)(F)F)s1 ZINC000001397850 568785701 /nfs/dbraw/zinc/78/57/01/568785701.db2.gz GVRHSCBFRBVUHA-UHFFFAOYSA-N 0 0 430.227 2.732 50 0 IFAARN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccc(F)cc1 ZINC000016622365 568786671 /nfs/dbraw/zinc/78/66/71/568786671.db2.gz HWXRWQRBHJGWDU-UHFFFAOYSA-N 0 0 428.869 2.518 50 0 IFAARN Cc1oc(C)c(C(=O)O[C@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)c1Br ZINC000084008229 568789667 /nfs/dbraw/zinc/78/96/67/568789667.db2.gz FCRJTNWWCKGJAU-DOMZBBRYSA-N 0 0 429.311 2.564 50 0 IFAARN O=C(c1cc(S(=O)(=O)N2CCOCC2)cs1)N1CCC(Cc2ccccc2)CC1 ZINC000016649254 568791045 /nfs/dbraw/zinc/79/10/45/568791045.db2.gz SSCXHHGHMMJLGU-UHFFFAOYSA-N 0 0 434.583 2.864 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2F)cc1 ZINC000025947875 568795163 /nfs/dbraw/zinc/79/51/63/568795163.db2.gz WORCEDKGPSFYBU-UHFFFAOYSA-N 0 0 430.299 2.889 50 0 IFAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000084150408 568795269 /nfs/dbraw/zinc/79/52/69/568795269.db2.gz XYGIRISVVYUZAW-LJQANCHMSA-N 0 0 444.963 2.913 50 0 IFAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000084150406 568795274 /nfs/dbraw/zinc/79/52/74/568795274.db2.gz XYGIRISVVYUZAW-IBGZPJMESA-N 0 0 444.963 2.913 50 0 IFAARN Cc1ccc(NC(=O)NC[C@@H]2COC(C)(C)O2)cc1NC(=O)NC[C@@H]1COC(C)(C)O1 ZINC000084186111 568795823 /nfs/dbraw/zinc/79/58/23/568795823.db2.gz LAJGAPUAKVIKJB-HZPDHXFCSA-N 0 0 436.509 2.541 50 0 IFAARN Cc1ccc(NC(=O)NC[C@H]2COC(C)(C)O2)cc1NC(=O)NC[C@H]1COC(C)(C)O1 ZINC000084186124 568796067 /nfs/dbraw/zinc/79/60/67/568796067.db2.gz LAJGAPUAKVIKJB-HOTGVXAUSA-N 0 0 436.509 2.541 50 0 IFAARN CN1CCN(C(=O)Cc2ccc(F)c(Br)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000084240570 568796303 /nfs/dbraw/zinc/79/63/03/568796303.db2.gz LYLBQDUECCZNHT-CQSZACIVSA-N 0 0 444.345 2.798 50 0 IFAARN NC(=O)COc1ccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1 ZINC000084363474 568797313 /nfs/dbraw/zinc/79/73/13/568797313.db2.gz SPJZFUFIUVTNQY-UHFFFAOYSA-N 0 0 433.302 2.749 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1cccc(C(=O)N2CCCCC2)c1 ZINC000084364094 568797381 /nfs/dbraw/zinc/79/73/81/568797381.db2.gz BYIXERLCMGKLAT-ZJOUEHCJSA-N 0 0 444.601 2.655 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCCO4)CC2)cc1C ZINC000015557418 568798020 /nfs/dbraw/zinc/79/80/20/568798020.db2.gz CVTUJDHNAKYXNB-UHFFFAOYSA-N 0 0 444.553 2.792 50 0 IFAARN O=C(CN1CCn2cccc2[C@H]1c1ccccc1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000084525726 568798593 /nfs/dbraw/zinc/79/85/93/568798593.db2.gz ITKSIONSXRUPDD-ZJSXRUAMSA-N 0 0 441.597 2.851 50 0 IFAARN O=C(Cn1nnc2ccccc2c1=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000084587462 568798966 /nfs/dbraw/zinc/79/89/66/568798966.db2.gz NDEFTKURAGMCIF-UHFFFAOYSA-N 0 0 447.322 2.963 50 0 IFAARN CCOC(=O)c1sc(NC(=O)N2CC[S@@](=O)[C@H](C)[C@@H]2C)c(C(=O)OCC)c1C ZINC000084795573 568801488 /nfs/dbraw/zinc/80/14/88/568801488.db2.gz REUNKDMUNRGHEQ-FJZFZPNASA-N 0 0 430.548 2.783 50 0 IFAARN CCOC(=O)c1sc(NC(=O)N2CC[S@@](=O)[C@@H](C)[C@@H]2C)c(C(=O)OCC)c1C ZINC000084795575 568801527 /nfs/dbraw/zinc/80/15/27/568801527.db2.gz REUNKDMUNRGHEQ-UALNHZPVSA-N 0 0 430.548 2.783 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC(c3nc4ccccc4s3)C2)cc1 ZINC000084809367 568801771 /nfs/dbraw/zinc/80/17/71/568801771.db2.gz ZOMCDUQMVFXKMW-UHFFFAOYSA-N 0 0 445.566 2.989 50 0 IFAARN O=C(NCc1ccccc1Br)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000015677833 568804955 /nfs/dbraw/zinc/80/49/55/568804955.db2.gz UEKJUQZIVQEPQD-INIZCTEOSA-N 0 0 444.395 2.508 50 0 IFAARN Cc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCCC2)c1C ZINC000015680149 568805865 /nfs/dbraw/zinc/80/58/65/568805865.db2.gz BEDIXUKSCLPRSF-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN CCc1ccccc1N1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015680150 568805931 /nfs/dbraw/zinc/80/59/31/568805931.db2.gz MGGRDOPUXQZOMW-QHCPKHFHSA-N 0 0 449.617 2.845 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)c(C)c1 ZINC000015680638 568806182 /nfs/dbraw/zinc/80/61/82/568806182.db2.gz UVGHFPLTTBQUOI-UHFFFAOYSA-N 0 0 442.516 2.979 50 0 IFAARN O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000015713419 568811362 /nfs/dbraw/zinc/81/13/62/568811362.db2.gz YVFSHGCUZICXCE-UHFFFAOYSA-N 0 0 431.464 2.902 50 0 IFAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CCn1cnc2ccccc2c1=O ZINC000032492253 568811401 /nfs/dbraw/zinc/81/14/01/568811401.db2.gz MDVVIELMJKFPGY-UHFFFAOYSA-N 0 0 448.401 2.782 50 0 IFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)NCc2ccc(F)cc2)s1 ZINC000015720762 568811738 /nfs/dbraw/zinc/81/17/38/568811738.db2.gz AMFFTHPLIKOFPC-UHFFFAOYSA-N 0 0 431.470 2.557 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3nc(N4CCC5(CC4)OCCO5)ccc3c2)CC1 ZINC000015728946 568813299 /nfs/dbraw/zinc/81/32/99/568813299.db2.gz FYJUDZYLZJEDOS-UHFFFAOYSA-N 0 0 431.558 2.999 50 0 IFAARN COC(=O)c1cn(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c2nc(C)ccc2c1=O ZINC000015732357 568815264 /nfs/dbraw/zinc/81/52/64/568815264.db2.gz AHMQSEPFSDSRNM-UHFFFAOYSA-N 0 0 445.859 2.801 50 0 IFAARN CSc1ccc(CCNC(=O)c2cnc3sc(N4CCCCC4)nn3c2=O)cc1 ZINC000015732675 568815313 /nfs/dbraw/zinc/81/53/13/568815313.db2.gz WYGOCKGHHSJHPW-UHFFFAOYSA-N 0 0 429.571 2.836 50 0 IFAARN COc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)c1 ZINC000001446420 568816652 /nfs/dbraw/zinc/81/66/52/568816652.db2.gz WGSNIUSWGIGNRR-UHFFFAOYSA-N 0 0 426.860 2.936 50 0 IFAARN CCc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 ZINC000015766550 568821530 /nfs/dbraw/zinc/82/15/30/568821530.db2.gz ACXYSBGBQOXFAR-HNNXBMFYSA-N 0 0 429.498 2.723 50 0 IFAARN C[C@H](CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000015768924 568822086 /nfs/dbraw/zinc/82/20/86/568822086.db2.gz KLRXVUOQHJPYNQ-OAHLLOKOSA-N 0 0 444.528 2.994 50 0 IFAARN COc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000015768609 568822174 /nfs/dbraw/zinc/82/21/74/568822174.db2.gz KWWSVWNRVHVJNI-UHFFFAOYSA-N 0 0 428.510 2.797 50 0 IFAARN COc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1OC ZINC000015772532 568822873 /nfs/dbraw/zinc/82/28/73/568822873.db2.gz RWQAOPVRLBNBPN-UHFFFAOYSA-N 0 0 438.459 2.831 50 0 IFAARN CCc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccccn4)C(=O)C3=O)CC2)cc1 ZINC000015774592 568823234 /nfs/dbraw/zinc/82/32/34/568823234.db2.gz LHGGAWWDHAELKE-UHFFFAOYSA-N 0 0 435.528 2.511 50 0 IFAARN CCOCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O ZINC000006089655 568823327 /nfs/dbraw/zinc/82/33/27/568823327.db2.gz KKIREBLFSAPIAA-CYBMUJFWSA-N 0 0 431.924 2.683 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCc1ccccc1C)N2C(C)=O ZINC000015776057 568823607 /nfs/dbraw/zinc/82/36/07/568823607.db2.gz CREKNAJCQWUOJU-JOCHJYFZSA-N 0 0 443.569 2.620 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCc1cccc(C)c1)N2C(C)=O ZINC000015775963 568823616 /nfs/dbraw/zinc/82/36/16/568823616.db2.gz JIDZYAMERFBDNS-QFIPXVFZSA-N 0 0 443.569 2.620 50 0 IFAARN COC(=O)[C@H](NC(=O)CCc1nnc2ccc(NCc3ccccc3Cl)nn21)C(C)C ZINC000015776261 568823856 /nfs/dbraw/zinc/82/38/56/568823856.db2.gz WVFSRCLVTAOEEM-HXUWFJFHSA-N 0 0 444.923 2.636 50 0 IFAARN CCOc1ccc(CCNC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)cc1 ZINC000015777367 568824093 /nfs/dbraw/zinc/82/40/93/568824093.db2.gz ORLFJHKSKXGDCK-UHFFFAOYSA-N 0 0 443.573 2.639 50 0 IFAARN COc1ccc(CNC(=O)C2CCN(c3nnc(N4CCCCC4=O)s3)CC2)cc1 ZINC000015777430 568824126 /nfs/dbraw/zinc/82/41/26/568824126.db2.gz JAWXJCDFQZSGQE-UHFFFAOYSA-N 0 0 429.546 2.596 50 0 IFAARN CC(C)CNC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000085643651 568829376 /nfs/dbraw/zinc/82/93/76/568829376.db2.gz WLWRVCHCAYAFHP-UHFFFAOYSA-N 0 0 425.551 2.784 50 0 IFAARN Cc1cccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)NC[C@H]4CCCO4)nc23)c1C ZINC000085644540 568829484 /nfs/dbraw/zinc/82/94/84/568829484.db2.gz XYEDVZNNHUGRFC-QGZVFWFLSA-N 0 0 447.495 2.749 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3nc4cc(C)ccc4o3)CC2)c1 ZINC000085649983 568831279 /nfs/dbraw/zinc/83/12/79/568831279.db2.gz KEIBPYMAQOSTOB-UHFFFAOYSA-N 0 0 431.514 2.660 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)c1 ZINC000085654017 568832255 /nfs/dbraw/zinc/83/22/55/568832255.db2.gz HNMYWESACNDTAM-UHFFFAOYSA-N 0 0 448.523 2.911 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1 ZINC000085654240 568832572 /nfs/dbraw/zinc/83/25/72/568832572.db2.gz NJMXVKFMFQPISN-UHFFFAOYSA-N 0 0 438.553 2.669 50 0 IFAARN Cc1ccc(-n2nc(N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)ccc2=O)cc1 ZINC000085654445 568832733 /nfs/dbraw/zinc/83/27/33/568832733.db2.gz ZSDFGZFBWOKYMM-UHFFFAOYSA-N 0 0 438.553 2.669 50 0 IFAARN CCN(CCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1)c1ccccc1 ZINC000015786745 568836309 /nfs/dbraw/zinc/83/63/09/568836309.db2.gz OFVUJEATRCSSSC-UHFFFAOYSA-N 0 0 428.514 2.690 50 0 IFAARN O=C(CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1)NCC1CC1 ZINC000583652954 568837777 /nfs/dbraw/zinc/83/77/77/568837777.db2.gz KVKRYMGBWCAHHK-BDOHIAJNSA-N 0 0 443.584 2.983 50 0 IFAARN COc1cc2nc(C)n(CCNC(=O)CCc3c[nH]c4ccccc34)c(=O)c2cc1OC ZINC000085879024 568838980 /nfs/dbraw/zinc/83/89/80/568838980.db2.gz IRDOZRHMAIOFBO-UHFFFAOYSA-N 0 0 434.496 2.952 50 0 IFAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCCn2ccnc2)cc1 ZINC000006135040 568845003 /nfs/dbraw/zinc/84/50/03/568845003.db2.gz VDMHTMODKAXXSI-QFIPXVFZSA-N 0 0 438.553 2.514 50 0 IFAARN CCOC(=O)c1c2cc(NS(C)(=O)=O)ccc2n(S(C)(=O)=O)c1-c1ccccc1 ZINC000006142909 568845642 /nfs/dbraw/zinc/84/56/42/568845642.db2.gz VZZLBYFQJULQQI-UHFFFAOYSA-N 0 0 436.511 2.664 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3Cl)CC2)c1 ZINC000015858240 568846404 /nfs/dbraw/zinc/84/64/04/568846404.db2.gz BJITZKRITTULBO-UHFFFAOYSA-N 0 0 447.944 2.677 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1 ZINC000015858455 568846575 /nfs/dbraw/zinc/84/65/75/568846575.db2.gz JSBBZYYZVPBGIA-LLVKDONJSA-N 0 0 435.889 2.863 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)c1 ZINC000015858438 568846594 /nfs/dbraw/zinc/84/65/94/568846594.db2.gz CATNKFMZJMGPLE-LLVKDONJSA-N 0 0 438.889 2.922 50 0 IFAARN O=C(c1ccc2[nH]cnc2c1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000006147968 568846596 /nfs/dbraw/zinc/84/65/96/568846596.db2.gz ZJFVKYDKPQKYNL-UHFFFAOYSA-N 0 0 438.431 2.728 50 0 IFAARN Cc1cccn2c(=O)c(Cc3nnc(SCC(=O)Nc4ccccc4)n3C)c(C)nc12 ZINC000015859238 568847108 /nfs/dbraw/zinc/84/71/08/568847108.db2.gz ZJFBMMNVVRFJEH-UHFFFAOYSA-N 0 0 434.525 2.761 50 0 IFAARN COc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2C(C)C)cc(OC)c1OC ZINC000006162667 568849057 /nfs/dbraw/zinc/84/90/57/568849057.db2.gz JNHIZMOVBOVLDY-UHFFFAOYSA-N 0 0 444.484 2.748 50 0 IFAARN COc1cc(/C=C/C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc(OC)c1 ZINC000026113985 568849720 /nfs/dbraw/zinc/84/97/20/568849720.db2.gz LWJGLVUJRWDHBZ-AATRIKPKSA-N 0 0 436.555 2.748 50 0 IFAARN O=C(CSc1nc2c(cnn2CCO)c(=O)[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000015881253 568855134 /nfs/dbraw/zinc/85/51/34/568855134.db2.gz SZYFVALMLYSRCP-UHFFFAOYSA-N 0 0 447.826 2.515 50 0 IFAARN O=C(CSc1nnc2ccc(-c3cccs3)nn21)NCc1ccc2c(c1)OCO2 ZINC000015881724 568856126 /nfs/dbraw/zinc/85/61/26/568856126.db2.gz CDQWJVMQZCQVMY-UHFFFAOYSA-N 0 0 425.495 2.990 50 0 IFAARN O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000015882599 568857029 /nfs/dbraw/zinc/85/70/29/568857029.db2.gz JMIPTCNFUUCHDE-OAQYLSRUSA-N 0 0 444.491 2.665 50 0 IFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000015883428 568857612 /nfs/dbraw/zinc/85/76/12/568857612.db2.gz RGPCTXJYZSCOLB-UHFFFAOYSA-N 0 0 426.542 2.932 50 0 IFAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)OCc1ccccc1 ZINC000015883716 568857809 /nfs/dbraw/zinc/85/78/09/568857809.db2.gz IREUIXADWFDKPH-UHFFFAOYSA-N 0 0 427.526 2.666 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000015884065 568857915 /nfs/dbraw/zinc/85/79/15/568857915.db2.gz UHTVCFHKIQLRCR-UHFFFAOYSA-N 0 0 435.532 2.838 50 0 IFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000015883986 568858295 /nfs/dbraw/zinc/85/82/95/568858295.db2.gz HHJOIRRDZGDGOT-UHFFFAOYSA-N 0 0 427.512 2.800 50 0 IFAARN CCCNC(=O)[C@H](C)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000015970323 568861380 /nfs/dbraw/zinc/86/13/80/568861380.db2.gz CFPVYVPWJQGPJO-UPNLOYSTSA-N 0 0 430.508 2.669 50 0 IFAARN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015996612 568862062 /nfs/dbraw/zinc/86/20/62/568862062.db2.gz RMUNWQPYCXCXOC-IMIIHFCZSA-N 0 0 443.503 2.735 50 0 IFAARN CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C ZINC000016003407 568862291 /nfs/dbraw/zinc/86/22/91/568862291.db2.gz HOHIDAICECEART-UHFFFAOYSA-N 0 0 438.527 2.506 50 0 IFAARN CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1ccc(I)cc1 ZINC000012949878 568871778 /nfs/dbraw/zinc/87/17/78/568871778.db2.gz STMJTQVPMMHIBB-UHFFFAOYSA-N 0 0 433.271 2.593 50 0 IFAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000012942592 568870322 /nfs/dbraw/zinc/87/03/22/568870322.db2.gz KNTYBCUVDXDGSH-UHFFFAOYSA-N 0 0 436.541 2.686 50 0 IFAARN CCOc1ccc(NC(=O)CN2CCn3cccc3[C@@H]2C)cc1S(=O)(=O)N(CC)CC ZINC000012943433 568870421 /nfs/dbraw/zinc/87/04/21/568870421.db2.gz DBQHEWSHTXNMQH-KRWDZBQOSA-N 0 0 448.589 2.933 50 0 IFAARN O=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1Cl ZINC000012946559 568871119 /nfs/dbraw/zinc/87/11/19/568871119.db2.gz VWWBGMNLLROEOO-UHFFFAOYSA-N 0 0 446.754 2.813 50 0 IFAARN Cc1csc(NC(=O)COC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n1 ZINC000016256824 568874887 /nfs/dbraw/zinc/87/48/87/568874887.db2.gz QQCFAQRKZRATQN-UHFFFAOYSA-N 0 0 442.423 2.639 50 0 IFAARN COc1ccc(OC)c(CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c1 ZINC000026375621 568877220 /nfs/dbraw/zinc/87/72/20/568877220.db2.gz HENFTLSTXMZREF-UHFFFAOYSA-N 0 0 447.285 2.769 50 0 IFAARN CCOC(=O)N1CCN(C(=O)COC(=O)/C=C/c2cc(C)n(Cc3ccco3)c2C)CC1 ZINC000008776745 568877805 /nfs/dbraw/zinc/87/78/05/568877805.db2.gz OGTKFPDHYKYMAW-BQYQJAHWSA-N 0 0 443.500 2.603 50 0 IFAARN O=C(NCCn1cnc(C2CC2)cc1=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000575606583 568877985 /nfs/dbraw/zinc/87/79/85/568877985.db2.gz HVPWQAGGNOYOKH-HXUWFJFHSA-N 0 0 444.539 2.611 50 0 IFAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](c2cccs2)n2nc(C)cc2C)c1 ZINC000575609690 568878824 /nfs/dbraw/zinc/87/88/24/568878824.db2.gz DPUMTKOOBBQTFW-MRXNPFEDSA-N 0 0 449.554 2.925 50 0 IFAARN Cc1cc2c(cc1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)N2C ZINC000575612506 568879372 /nfs/dbraw/zinc/87/93/72/568879372.db2.gz MSVOURQUZORGSR-CQSZACIVSA-N 0 0 438.550 2.711 50 0 IFAARN COc1ccccc1[C@@H](C1=C(OC(C)=O)COC1=O)c1cc2c(cc1OC(C)=O)OCO2 ZINC000000636266 568880064 /nfs/dbraw/zinc/88/00/64/568880064.db2.gz FIXBQJYNYPGCLX-OAQYLSRUSA-N 0 0 440.404 2.855 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000006237850 568880791 /nfs/dbraw/zinc/88/07/91/568880791.db2.gz VRSXHTMMEJTFKP-OXRZLYTFSA-N 0 0 426.444 2.686 50 0 IFAARN Cc1ccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1Cl ZINC000575614933 568881080 /nfs/dbraw/zinc/88/10/80/568881080.db2.gz LHQOAFJOTRIRAP-UHFFFAOYSA-N 0 0 431.846 2.838 50 0 IFAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1 ZINC000575615059 568881181 /nfs/dbraw/zinc/88/11/81/568881181.db2.gz AXHFJUXKARIWPV-UHFFFAOYSA-N 0 0 448.458 2.514 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575618831 568882341 /nfs/dbraw/zinc/88/23/41/568882341.db2.gz WNUXRWZXXFKGNG-KRWDZBQOSA-N 0 0 429.546 2.817 50 0 IFAARN COCCCn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C ZINC000006300117 568882524 /nfs/dbraw/zinc/88/25/24/568882524.db2.gz GDWZAZMPNWTWRI-UHFFFAOYSA-N 0 0 447.898 2.644 50 0 IFAARN Cc1c(C)n2c(nc3c2c(=O)n(CCCc2ccccc2)c(=O)n3C)n1C[C@H]1CCCO1 ZINC000006300139 568882527 /nfs/dbraw/zinc/88/25/27/568882527.db2.gz YSTZMMULHNSBIA-LJQANCHMSA-N 0 0 435.528 2.578 50 0 IFAARN O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000222353198 568885033 /nfs/dbraw/zinc/88/50/33/568885033.db2.gz ZOXRJSKYKQNJNO-HUUCEWRRSA-N 0 0 435.373 2.830 50 0 IFAARN CN(C)C(=O)c1cccc(S(=O)(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c1 ZINC000225343202 568885184 /nfs/dbraw/zinc/88/51/84/568885184.db2.gz PSAZOZRTSUWDFN-MSOLQXFVSA-N 0 0 443.352 2.974 50 0 IFAARN COc1ncccc1C(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 ZINC000090558876 568887722 /nfs/dbraw/zinc/88/77/22/568887722.db2.gz NQFABNNWYUHQGA-UHFFFAOYSA-N 0 0 434.378 2.516 50 0 IFAARN Cc1nc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc2)no1 ZINC000090558848 568887783 /nfs/dbraw/zinc/88/77/83/568887783.db2.gz UDGUMOVYNNXHEQ-UHFFFAOYSA-N 0 0 437.884 2.743 50 0 IFAARN CSc1cccc(NC(=O)CN2CCN(Cc3cnnn3-c3ccccc3F)CC2)c1 ZINC000090590495 568888446 /nfs/dbraw/zinc/88/84/46/568888446.db2.gz DKPUBOJWJZFGED-UHFFFAOYSA-N 0 0 440.548 2.885 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000090592096 568888689 /nfs/dbraw/zinc/88/86/89/568888689.db2.gz LKHOZPAWSDICBZ-INIZCTEOSA-N 0 0 448.932 2.951 50 0 IFAARN COc1cccc(-c2cc(C(=O)N[C@@H]3CCN(c4ccc(-c5nc(C)no5)cn4)C3)[nH]n2)c1 ZINC000090592190 568888868 /nfs/dbraw/zinc/88/88/68/568888868.db2.gz DCXWDZNTAVVTNH-QGZVFWFLSA-N 0 0 445.483 2.847 50 0 IFAARN Cc1ccc(N2CCC(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2)nn1 ZINC000090592291 568888984 /nfs/dbraw/zinc/88/89/84/568888984.db2.gz ZMPUTHBOXRMIIQ-UHFFFAOYSA-N 0 0 431.543 2.653 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)N2CC(Oc3nc4c(cccc4OC)s3)C2)cc1 ZINC000090594432 568889222 /nfs/dbraw/zinc/88/92/22/568889222.db2.gz QIMFXMIWGJTJID-UHFFFAOYSA-N 0 0 434.495 2.543 50 0 IFAARN Cc1sc2nc(CSc3nnc(COc4ccccc4F)n3N)[nH]c(=O)c2c1C ZINC000012974455 568889866 /nfs/dbraw/zinc/88/98/66/568889866.db2.gz VSFPEVWFPQSXFJ-UHFFFAOYSA-N 0 0 432.506 2.917 50 0 IFAARN O=S(=O)(NCCNc1ccc(-n2cccc2)nn1)c1ccc(OC(F)(F)F)cc1 ZINC000090607791 568890145 /nfs/dbraw/zinc/89/01/45/568890145.db2.gz QZKCRUWWYODMHQ-UHFFFAOYSA-N 0 0 427.408 2.556 50 0 IFAARN CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1cccc(I)c1 ZINC000012980196 568892036 /nfs/dbraw/zinc/89/20/36/568892036.db2.gz KOMDAXGJASOSLW-UHFFFAOYSA-N 0 0 433.271 2.593 50 0 IFAARN COCc1cc(=O)n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c(-c2ccncc2)n1 ZINC000090610180 568892071 /nfs/dbraw/zinc/89/20/71/568892071.db2.gz VNAJBKJMZBQTTL-UHFFFAOYSA-N 0 0 444.875 2.761 50 0 IFAARN O=C(NCc1ccc([C@@H](O)c2cccs2)s1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000090613767 568892471 /nfs/dbraw/zinc/89/24/71/568892471.db2.gz TVAWGWGQMJXRTH-SFHVURJKSA-N 0 0 430.507 2.917 50 0 IFAARN c1ccc(-n2nnnc2COc2ccc(OCc3nnnn3-c3ccccc3)cc2)cc1 ZINC000035531472 568893149 /nfs/dbraw/zinc/89/31/49/568893149.db2.gz SDYKQZWRCKWEOW-UHFFFAOYSA-N 0 0 426.440 2.796 50 0 IFAARN C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@H]1CCCO1 ZINC000012981737 568894543 /nfs/dbraw/zinc/89/45/43/568894543.db2.gz DHAZPJRAMYHICX-SWLSCSKDSA-N 0 0 436.361 2.577 50 0 IFAARN C[C@H](Sc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012989481 568895345 /nfs/dbraw/zinc/89/53/45/568895345.db2.gz HSCQKJKMPDAPAZ-HOCLYGCPSA-N 0 0 445.545 2.905 50 0 IFAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)NCc2ccc(Cn3cncn3)cc2)CC1 ZINC000040038980 568896297 /nfs/dbraw/zinc/89/62/97/568896297.db2.gz UOCMFLMYDIQPTI-ZHACJKMWSA-N 0 0 429.524 2.895 50 0 IFAARN O=S(=O)(NC1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1)c1ccccc1 ZINC000012996314 568896861 /nfs/dbraw/zinc/89/68/61/568896861.db2.gz KUOBVGJCBGZFNA-UHFFFAOYSA-N 0 0 432.926 2.611 50 0 IFAARN O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013002797 568898495 /nfs/dbraw/zinc/89/84/95/568898495.db2.gz YCPMKPROKHKGBP-UHFFFAOYSA-N 0 0 430.917 2.672 50 0 IFAARN O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000013005610 568899324 /nfs/dbraw/zinc/89/93/24/568899324.db2.gz JCRXTKGGMWYYDH-SFHVURJKSA-N 0 0 436.530 2.814 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br ZINC000013013045 568901363 /nfs/dbraw/zinc/90/13/63/568901363.db2.gz GSYUQTYLDWBDDH-CYBMUJFWSA-N 0 0 431.352 2.533 50 0 IFAARN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013016641 568901646 /nfs/dbraw/zinc/90/16/46/568901646.db2.gz JAJPNRMHAMOLCS-GOSISDBHSA-N 0 0 434.945 2.565 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1 ZINC000013022594 568902528 /nfs/dbraw/zinc/90/25/28/568902528.db2.gz TUZRBXKINPPYBQ-UHFFFAOYSA-N 0 0 439.559 2.529 50 0 IFAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccncc4)c(=O)n32)cc1 ZINC000252607165 568902808 /nfs/dbraw/zinc/90/28/08/568902808.db2.gz GYRRGTOTJLLUFV-OAQYLSRUSA-N 0 0 449.532 2.590 50 0 IFAARN COc1cc([C@@H](CC(=O)NCc2csc(C)n2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729541 568903796 /nfs/dbraw/zinc/90/37/96/568903796.db2.gz XWFYPKBHYDVXLC-OAHLLOKOSA-N 0 0 430.482 2.971 50 0 IFAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNc2ncccn2)c2ccccc21 ZINC000263585546 568904163 /nfs/dbraw/zinc/90/41/63/568904163.db2.gz JXDIACHTMYYTHJ-SFHVURJKSA-N 0 0 438.532 2.632 50 0 IFAARN CCCCOc1ccc(-c2nc3s/c(=C4/c5ccccc5N(C)C4=O)c(=O)n3n2)cc1 ZINC000001756709 568905138 /nfs/dbraw/zinc/90/51/38/568905138.db2.gz KRGDSXIUUHGWMH-HNENSFHCSA-N 0 0 432.505 2.891 50 0 IFAARN COCCOC(=O)c1sc2ncn([C@H](C)C(=O)OCc3ccccc3)c(=O)c2c1C ZINC000001784809 568907497 /nfs/dbraw/zinc/90/74/97/568907497.db2.gz BYBCWANZWSMDIJ-CQSZACIVSA-N 0 0 430.482 2.874 50 0 IFAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN(C)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000241439850 568912187 /nfs/dbraw/zinc/91/21/87/568912187.db2.gz NMTXQZCODOMEJM-HZPDHXFCSA-N 0 0 444.619 2.959 50 0 IFAARN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000245255617 568913801 /nfs/dbraw/zinc/91/38/01/568913801.db2.gz JFNDATCYSPBWPE-QAQDUYKDSA-N 0 0 447.532 2.665 50 0 IFAARN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3C[C@@H](C)C(=O)C[C@H]3C)c21 ZINC000245313094 568914756 /nfs/dbraw/zinc/91/47/56/568914756.db2.gz ZXPNTKNDRGETDK-ZIAGYGMSSA-N 0 0 429.517 2.910 50 0 IFAARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000026789890 568917082 /nfs/dbraw/zinc/91/70/82/568917082.db2.gz VZFPLWKQYVFYNR-HOTGVXAUSA-N 0 0 445.317 2.808 50 0 IFAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2CCCN21 ZINC000247938931 568918903 /nfs/dbraw/zinc/91/89/03/568918903.db2.gz HVGKNCXAETYDEW-GKAYAJSDSA-N 0 0 437.883 2.780 50 0 IFAARN CN(CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)C1(C(N)=O)CCCC1 ZINC000089335328 568920568 /nfs/dbraw/zinc/92/05/68/568920568.db2.gz MKXCLIFZIYAINU-UHFFFAOYSA-N 0 0 429.542 2.782 50 0 IFAARN COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(F)cc1F ZINC000089319570 568920757 /nfs/dbraw/zinc/92/07/57/568920757.db2.gz JLYQHPOCEAKBDH-INIZCTEOSA-N 0 0 446.859 2.513 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)cc1 ZINC000089496684 568926914 /nfs/dbraw/zinc/92/69/14/568926914.db2.gz WOGPWMPVTQPSAL-HRAATJIYSA-N 0 0 443.569 2.964 50 0 IFAARN CSc1ccccc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000089496615 568926984 /nfs/dbraw/zinc/92/69/84/568926984.db2.gz GDCWSDBBVPUCCY-UHFFFAOYSA-N 0 0 434.539 2.989 50 0 IFAARN COc1cc2[nH]c(=O)n(CCCCC(=O)NCc3ccc(C)cc3)c(=O)c2cc1OC ZINC000064438435 568928239 /nfs/dbraw/zinc/92/82/39/568928239.db2.gz HTNJWKGVPCFARX-UHFFFAOYSA-N 0 0 425.485 2.502 50 0 IFAARN CCc1cccc(NS(=O)(=O)c2ccc3c(c2)N(Cc2noc(C)n2)C(=O)CO3)c1 ZINC000064450609 568928562 /nfs/dbraw/zinc/92/85/62/568928562.db2.gz VNUNMXXRFUBOPT-UHFFFAOYSA-N 0 0 428.470 2.667 50 0 IFAARN Cn1c2cc(NC(=O)Cc3ccccc3Cl)c(N3CCCC3)cc2n(C)c(=O)c1=O ZINC000064526292 568931357 /nfs/dbraw/zinc/93/13/57/568931357.db2.gz FVVBFUNDQTUPMU-UHFFFAOYSA-N 0 0 426.904 2.672 50 0 IFAARN Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)NC1CCCCC1)C2 ZINC000064565636 568932517 /nfs/dbraw/zinc/93/25/17/568932517.db2.gz CCDOXHIGXJLIAM-UHFFFAOYSA-N 0 0 437.544 2.786 50 0 IFAARN CSc1nnc(-c2nn(C)c3c2CN(C(=O)c2ccccc2Br)CC3)n1C ZINC000064567072 568933435 /nfs/dbraw/zinc/93/34/35/568933435.db2.gz UOIJZLCMIGBJIY-UHFFFAOYSA-N 0 0 447.362 2.899 50 0 IFAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000064566527 568933578 /nfs/dbraw/zinc/93/35/78/568933578.db2.gz VGDLHSHGQVSXMG-UHFFFAOYSA-N 0 0 435.509 2.808 50 0 IFAARN COc1cc(OC)c(NC(=O)Cn2nc3c4cccc(C)c4ncn3c2=O)cc1Cl ZINC000064567779 568933728 /nfs/dbraw/zinc/93/37/28/568933728.db2.gz PQIQIWVNYYRRRU-UHFFFAOYSA-N 0 0 427.848 2.662 50 0 IFAARN CCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(C(=O)[O-])c2)cc1 ZINC000064580593 568934495 /nfs/dbraw/zinc/93/44/95/568934495.db2.gz GPHQTVIOZGQAQJ-UHFFFAOYSA-N 0 0 433.530 2.726 50 0 IFAARN CC(C)CNC(=O)NC1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064579375 568934539 /nfs/dbraw/zinc/93/45/39/568934539.db2.gz LSWGPVJPVDYXAT-UHFFFAOYSA-N 0 0 434.544 2.764 50 0 IFAARN C[C@@H](Sc1nnc2c(=O)n(-c3ccccc3)ccn12)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000064593501 568935906 /nfs/dbraw/zinc/93/59/06/568935906.db2.gz CAGMOAPHCKTYIN-CQSZACIVSA-N 0 0 449.492 2.771 50 0 IFAARN COc1cccc(-n2ccn3c(SCC(=O)Nc4ccc(F)cc4)nnc3c2=O)c1 ZINC000064593688 568936033 /nfs/dbraw/zinc/93/60/33/568936033.db2.gz GUIIXDZVAPHEKU-UHFFFAOYSA-N 0 0 425.445 2.759 50 0 IFAARN COCCNC(=O)[C@H](CC(C)C)Nc1nc(CN2CCOCC2)nc2sc(C)c(C)c21 ZINC000089565282 568937655 /nfs/dbraw/zinc/93/76/55/568937655.db2.gz RVVVWQVUSAEJJW-KRWDZBQOSA-N 0 0 449.621 2.730 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccccc3C)oc1C)c(=O)n2C ZINC000064604628 568938927 /nfs/dbraw/zinc/93/89/27/568938927.db2.gz PXMYIMOAEFETHI-UHFFFAOYSA-N 0 0 434.452 2.510 50 0 IFAARN Cc1ccc(N2CCN(C(=O)CN3CCc4ccccc4[C@H]3C(=O)N3CCCC3)CC2)cc1 ZINC000064611357 568939994 /nfs/dbraw/zinc/93/99/94/568939994.db2.gz NUHAENSDHBFOHQ-SANMLTNESA-N 0 0 446.595 2.865 50 0 IFAARN O=C(CN1CCc2ccccc2[C@H]1C(=O)N1CCCC1)N1CCN(c2ccccc2)CC1 ZINC000064611350 568940084 /nfs/dbraw/zinc/94/00/84/568940084.db2.gz IVAGAMLWHLJTAE-VWLOTQADSA-N 0 0 432.568 2.557 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000036001508 568941965 /nfs/dbraw/zinc/94/19/65/568941965.db2.gz ARVLAYXAHPFTEU-JTSKRJEESA-N 0 0 442.560 2.533 50 0 IFAARN COc1cccc([C@H]2CN(C(=O)NC(C)C)C[C@H]2C(=O)NCc2ccccn2)c1OC ZINC000036055253 568944314 /nfs/dbraw/zinc/94/43/14/568944314.db2.gz ULHPPGFYEZAJLT-RTBURBONSA-N 0 0 426.517 2.549 50 0 IFAARN Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)n3n2)cc1 ZINC000064710110 568944634 /nfs/dbraw/zinc/94/46/34/568944634.db2.gz NXOLMTIYIJXUAT-UHFFFAOYSA-N 0 0 435.465 2.718 50 0 IFAARN O=C(Nc1ccccc1)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036085587 568947546 /nfs/dbraw/zinc/94/75/46/568947546.db2.gz FMCRVCYOAWADRJ-UHFFFAOYSA-N 0 0 434.402 2.973 50 0 IFAARN O=C(NCc1ccccc1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2)c1=O ZINC000036085118 568947789 /nfs/dbraw/zinc/94/77/89/568947789.db2.gz VNVKQAZEMQFYRB-UHFFFAOYSA-N 0 0 430.439 2.512 50 0 IFAARN CC(C)CNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036085285 568947852 /nfs/dbraw/zinc/94/78/52/568947852.db2.gz VRIQZYIBVYITEW-UHFFFAOYSA-N 0 0 430.867 2.621 50 0 IFAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccccc3)nn(-c3ccccc3)c2=O)cc1 ZINC000036085985 568948344 /nfs/dbraw/zinc/94/83/44/568948344.db2.gz CQTNIPBRHIZACI-UHFFFAOYSA-N 0 0 426.476 2.681 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCc3ccco3)c(=O)n(Cc3ccccc3)c2=O)cc1C ZINC000036086243 568948409 /nfs/dbraw/zinc/94/84/09/568948409.db2.gz BAUQBHHANYNBDK-UHFFFAOYSA-N 0 0 430.464 2.582 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036086431 568948644 /nfs/dbraw/zinc/94/86/44/568948644.db2.gz ISHRBMJFPJIDPX-QGZVFWFLSA-N 0 0 436.512 2.596 50 0 IFAARN COc1ccc(-n2nc(C(=O)Nc3ccccc3)c(=O)n(Cc3cccc(F)c3)c2=O)cc1 ZINC000036087246 568948697 /nfs/dbraw/zinc/94/86/97/568948697.db2.gz JKAPZLDTEYRJMS-UHFFFAOYSA-N 0 0 446.438 2.843 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036087353 568948872 /nfs/dbraw/zinc/94/88/72/568948872.db2.gz FJMVAGAUUNPRKB-CYBMUJFWSA-N 0 0 430.867 2.763 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NC(C)C)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000036086597 568948964 /nfs/dbraw/zinc/94/89/64/568948964.db2.gz BMVYIFSCYIYRSN-UHFFFAOYSA-N 0 0 446.429 2.908 50 0 IFAARN CCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036086606 568948991 /nfs/dbraw/zinc/94/89/91/568948991.db2.gz WIAZOZWIWZEPLJ-UHFFFAOYSA-N 0 0 446.429 2.910 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000064755588 568951215 /nfs/dbraw/zinc/95/12/15/568951215.db2.gz AAWAEYPRHXOVEL-UHFFFAOYSA-N 0 0 443.573 2.846 50 0 IFAARN C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775986 568954925 /nfs/dbraw/zinc/95/49/25/568954925.db2.gz QDICYXHAELLNHQ-INIZCTEOSA-N 0 0 433.487 2.937 50 0 IFAARN COc1ccc([C@@H]2OCCn3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000064788207 568956642 /nfs/dbraw/zinc/95/66/42/568956642.db2.gz SJQMXLOBOWTYNV-QHCPKHFHSA-N 0 0 447.491 2.848 50 0 IFAARN O=C(CCc1nc(-c2cc3ccccc3[nH]c2=O)no1)N1CCN(c2ccccc2F)CC1 ZINC000064790030 568957151 /nfs/dbraw/zinc/95/71/51/568957151.db2.gz MIWAOSBGBAKJIJ-UHFFFAOYSA-N 0 0 447.470 2.999 50 0 IFAARN COc1ccc(CN(C(=O)c2ccc(OC)cc2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000064791860 568959059 /nfs/dbraw/zinc/95/90/59/568959059.db2.gz PJPJKZQLANPWCL-UHFFFAOYSA-N 0 0 433.468 2.899 50 0 IFAARN CCCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000036148063 568962388 /nfs/dbraw/zinc/96/23/88/568962388.db2.gz HCHYTFHBHPNZJZ-QHCPKHFHSA-N 0 0 439.531 2.932 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)c(C)c1 ZINC000064817627 568964936 /nfs/dbraw/zinc/96/49/36/568964936.db2.gz KGJSPICORBJFBG-UHFFFAOYSA-N 0 0 445.523 2.992 50 0 IFAARN CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc21 ZINC000064818834 568965493 /nfs/dbraw/zinc/96/54/93/568965493.db2.gz DHNVUFCQBWJMAX-UHFFFAOYSA-N 0 0 438.889 2.680 50 0 IFAARN CCCOC(=O)Cn1c2ccc(S(=O)(=O)NC[C@H](C)c3ccccc3)cc2oc1=O ZINC000064818887 568965714 /nfs/dbraw/zinc/96/57/14/568965714.db2.gz KCCFIGQRVFXMQU-HNNXBMFYSA-N 0 0 432.498 2.630 50 0 IFAARN CCCOC(=O)Cn1c2ccc(S(=O)(=O)NC[C@@H](C)c3ccccc3)cc2oc1=O ZINC000064818886 568965717 /nfs/dbraw/zinc/96/57/17/568965717.db2.gz KCCFIGQRVFXMQU-OAHLLOKOSA-N 0 0 432.498 2.630 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)cc(C)c2)cn1C ZINC000064819017 568965844 /nfs/dbraw/zinc/96/58/44/568965844.db2.gz KNHWLKAFQQERHA-GOSISDBHSA-N 0 0 433.530 2.610 50 0 IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COc1ccccc1C ZINC000036159559 568967300 /nfs/dbraw/zinc/96/73/00/568967300.db2.gz XBMRTTPXVJTCPB-INIZCTEOSA-N 0 0 443.569 2.670 50 0 IFAARN CCOc1ccc(CCNC(=O)c2cc(=O)nc3sc(N4CCC(C)CC4)nn32)cc1 ZINC000064836422 568969427 /nfs/dbraw/zinc/96/94/27/568969427.db2.gz OUQIGDMCYRFBLJ-UHFFFAOYSA-N 0 0 441.557 2.759 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccc(OC)cc3)n2)cc1 ZINC000064842041 568970664 /nfs/dbraw/zinc/97/06/64/568970664.db2.gz SDYMUVDVFFLKMS-UHFFFAOYSA-N 0 0 447.513 2.919 50 0 IFAARN COc1cc(NC(=O)N2CCC(CC(=O)NC[C@H]3CCCO3)CC2)cc(OC)c1OC ZINC000064846770 568972254 /nfs/dbraw/zinc/97/22/54/568972254.db2.gz VIPCLRZYFUOVPL-QGZVFWFLSA-N 0 0 435.521 2.642 50 0 IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@H](O)COCC(C)C ZINC000036204952 568972941 /nfs/dbraw/zinc/97/29/41/568972941.db2.gz SHOOZTIESVXCAN-CVEARBPZSA-N 0 0 437.606 2.591 50 0 IFAARN O=C(N[C@@H](C(=O)NC1CC1)C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000036208783 568973597 /nfs/dbraw/zinc/97/35/97/568973597.db2.gz SGACPABCKOKHAR-OAQYLSRUSA-N 0 0 441.478 2.894 50 0 IFAARN CNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)ccc21 ZINC000064862404 568974031 /nfs/dbraw/zinc/97/40/31/568974031.db2.gz AJOWWAMKVMSGSR-UHFFFAOYSA-N 0 0 428.558 2.516 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000036210192 568974432 /nfs/dbraw/zinc/97/44/32/568974432.db2.gz MYUOSMARUZRPBL-QFIPXVFZSA-N 0 0 431.577 2.851 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)NC(C)C)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036210280 568974622 /nfs/dbraw/zinc/97/46/22/568974622.db2.gz OAJJOZXCEKOPIF-JOCHJYFZSA-N 0 0 437.540 2.871 50 0 IFAARN COC(=O)CC1=CC(=O)N(CC(=O)NCCc2ccc(Cl)cc2)c2ccccc2N1 ZINC000064869203 568975626 /nfs/dbraw/zinc/97/56/26/568975626.db2.gz OWZXXMINPIZWEE-UHFFFAOYSA-N 0 0 427.888 2.904 50 0 IFAARN CCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2OC)CC1 ZINC000036212294 568975959 /nfs/dbraw/zinc/97/59/59/568975959.db2.gz WZQINPPPYLLSOP-HXUWFJFHSA-N 0 0 443.569 2.934 50 0 IFAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccco2)CC1 ZINC000036211077 568976941 /nfs/dbraw/zinc/97/69/41/568976941.db2.gz QCJLHFRUMMZGGX-IIBYNOLFSA-N 0 0 441.528 2.854 50 0 IFAARN COc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000036211241 568977110 /nfs/dbraw/zinc/97/71/10/568977110.db2.gz RVNDTSOUZGEITM-QFIPXVFZSA-N 0 0 429.561 2.701 50 0 IFAARN CCCNC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036211168 568977144 /nfs/dbraw/zinc/97/71/44/568977144.db2.gz CVZMIVQTTUXJCG-QFIPXVFZSA-N 0 0 437.540 2.872 50 0 IFAARN CCC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCCOC)c1 ZINC000036218431 568977586 /nfs/dbraw/zinc/97/75/86/568977586.db2.gz RUIQYDZMTXZBIT-LEWJYISDSA-N 0 0 425.485 2.860 50 0 IFAARN COc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000036227597 568978611 /nfs/dbraw/zinc/97/86/11/568978611.db2.gz VNUFBRHYDLXJQR-UHFFFAOYSA-N 0 0 438.933 2.546 50 0 IFAARN CCOC(=O)N1CCN(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)OC3)CC1 ZINC000006764582 568978851 /nfs/dbraw/zinc/97/88/51/568978851.db2.gz FNCLLQFLLZHEIQ-UHFFFAOYSA-N 0 0 425.507 2.692 50 0 IFAARN Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2nccnc21 ZINC000064887578 568978938 /nfs/dbraw/zinc/97/89/38/568978938.db2.gz DNBADVJEJOFHRT-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN CC[C@@H](C(=O)NCCc1ccc(Cl)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000064888586 568979667 /nfs/dbraw/zinc/97/96/67/568979667.db2.gz GHOPWFLWLVJPEX-FQEVSTJZSA-N 0 0 445.922 2.787 50 0 IFAARN O=C(CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc2c(c1)OCO2 ZINC000064888903 568979709 /nfs/dbraw/zinc/97/97/09/568979709.db2.gz JEVFLHBVIKUQFC-UHFFFAOYSA-N 0 0 442.497 2.578 50 0 IFAARN COc1cccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 ZINC000064889230 568979720 /nfs/dbraw/zinc/97/97/20/568979720.db2.gz RKCHGAFNDIVPJL-UHFFFAOYSA-N 0 0 443.529 2.643 50 0 IFAARN CC(C)Cn1c2ccc(-c3noc([C@@H](C)NC(=O)c4ccccc4)n3)cc2[nH]c(=O)c1=O ZINC000064890951 568980931 /nfs/dbraw/zinc/98/09/31/568980931.db2.gz PJRXDDLOIKAOJZ-CQSZACIVSA-N 0 0 433.468 2.887 50 0 IFAARN Cc1cccc(CNC(=O)CCn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)c1 ZINC000064892294 568983061 /nfs/dbraw/zinc/98/30/61/568983061.db2.gz LICKJAWKOKGNPH-GOSISDBHSA-N 0 0 430.508 2.850 50 0 IFAARN O=C(NC[C@@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036253946 568984528 /nfs/dbraw/zinc/98/45/28/568984528.db2.gz UDELOTFNDCZLTK-SFTDATJTSA-N 0 0 433.980 2.952 50 0 IFAARN Cc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000064921318 568985700 /nfs/dbraw/zinc/98/57/00/568985700.db2.gz VECBXACJPZARKH-UHFFFAOYSA-N 0 0 443.525 2.674 50 0 IFAARN Cc1c(S(=O)(=O)N2CCCCC2)cc(C(=O)N2CCN(c3ccccc3F)CC2)n1C ZINC000064922706 568986002 /nfs/dbraw/zinc/98/60/02/568986002.db2.gz IYDYOPNLRSJRLV-UHFFFAOYSA-N 0 0 448.564 2.610 50 0 IFAARN Cc1c(S(=O)(=O)N2CCCC2)cc(C(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)n1C ZINC000064922487 568986059 /nfs/dbraw/zinc/98/60/59/568986059.db2.gz SWJHCNPJTSCBCI-GOSISDBHSA-N 0 0 444.601 2.777 50 0 IFAARN Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)NCc1ccc(F)cc1 ZINC000064925034 568986424 /nfs/dbraw/zinc/98/64/24/568986424.db2.gz SJDHUEKJQHMUMH-UHFFFAOYSA-N 0 0 438.507 2.504 50 0 IFAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccccc4F)CC3)cc2NC1=O ZINC000064921549 568986541 /nfs/dbraw/zinc/98/65/41/568986541.db2.gz QHLQBZCJPVCSKX-ZDUSSCGKSA-N 0 0 447.488 2.585 50 0 IFAARN Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000064921608 568986580 /nfs/dbraw/zinc/98/65/80/568986580.db2.gz MXENZXOBOQKGLP-HNNXBMFYSA-N 0 0 443.525 2.754 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)N2CCN(c3nc4ccccc4n(CC)c3=O)CC2)c1 ZINC000064926192 568986885 /nfs/dbraw/zinc/98/68/85/568986885.db2.gz WNFFGUDLLKRQCQ-UHFFFAOYSA-N 0 0 449.511 2.947 50 0 IFAARN COc1ccccc1CNC(=O)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927451 568987113 /nfs/dbraw/zinc/98/71/13/568987113.db2.gz YGFIUOLYBVKYQF-UHFFFAOYSA-N 0 0 436.487 2.913 50 0 IFAARN COc1ccc(-c2cc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)ncn2)cc1 ZINC000064929253 568988177 /nfs/dbraw/zinc/98/81/77/568988177.db2.gz XLXKWARDVVPDPP-UHFFFAOYSA-N 0 0 446.479 2.941 50 0 IFAARN O=S(=O)(c1ccc(Cl)s1)N1CCN=C1N1CCN(c2ccc(F)cc2)CC1 ZINC000064929807 568988216 /nfs/dbraw/zinc/98/82/16/568988216.db2.gz UEBBFHRNMUXEHY-UHFFFAOYSA-N 0 0 428.942 2.723 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccccc3)c2=O)c1 ZINC000169681089 568991500 /nfs/dbraw/zinc/99/15/00/568991500.db2.gz VBXRPRKCEGCCQV-UHFFFAOYSA-N 0 0 439.493 2.799 50 0 IFAARN Cc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3F)n2)c1 ZINC000064943618 568992541 /nfs/dbraw/zinc/99/25/41/568992541.db2.gz ZZBOUZPODWSGGJ-UHFFFAOYSA-N 0 0 435.864 2.816 50 0 IFAARN Cc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3cccc(Cl)c3C)n2)c1 ZINC000064943627 568992808 /nfs/dbraw/zinc/99/28/08/568992808.db2.gz MARCAZKTVROQPP-UHFFFAOYSA-N 0 0 431.901 2.985 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)c(OC)c1 ZINC000064945661 568992917 /nfs/dbraw/zinc/99/29/17/568992917.db2.gz AURAFZIIKPCOOP-UHFFFAOYSA-N 0 0 439.497 2.640 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)cc1OC ZINC000064945663 568992923 /nfs/dbraw/zinc/99/29/23/568992923.db2.gz XTZOBQKVAXYIEU-UHFFFAOYSA-N 0 0 439.497 2.640 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NCc3cccs3)n2)cc1 ZINC000064943942 568993083 /nfs/dbraw/zinc/99/30/83/568993083.db2.gz VSSQAORRQGQPDS-UHFFFAOYSA-N 0 0 431.539 2.577 50 0 IFAARN Cc1ccc(CNC(=O)Cn2nc(S(=O)(=O)c3ccc(C(C)C)cc3)ccc2=O)cc1 ZINC000064943887 568993133 /nfs/dbraw/zinc/99/31/33/568993133.db2.gz FKSDNWGRFQKQOE-UHFFFAOYSA-N 0 0 439.537 2.824 50 0 IFAARN Cc1ccc2c(c1)N(C(=O)Cn1nc3c4c5c(sc4ncn3c1=O)C[C@H](C)CC5)CCO2 ZINC000064945936 568993994 /nfs/dbraw/zinc/99/39/94/568993994.db2.gz VOZDRJHXPUNNEY-CQSZACIVSA-N 0 0 449.536 2.965 50 0 IFAARN COc1cccc(CNC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)C[C@H](C)CC5)c1 ZINC000064945910 568994074 /nfs/dbraw/zinc/99/40/74/568994074.db2.gz ZJIVMNWXKPNYDE-CYBMUJFWSA-N 0 0 437.525 2.556 50 0 IFAARN CCCCn1nc2n(c3ccsc3c(=O)n2CCc2ccc(OC)c(OC)c2)c1=O ZINC000064946387 568994347 /nfs/dbraw/zinc/99/43/47/568994347.db2.gz VVAZHGRTSXFIMD-UHFFFAOYSA-N 0 0 428.514 2.932 50 0 IFAARN COc1ccc(CCNC(=O)Cn2c3ncccc3c(=O)n2-c2ccccc2)cc1OC ZINC000064951056 568996102 /nfs/dbraw/zinc/99/61/02/568996102.db2.gz LBAIBLWGASVHNB-UHFFFAOYSA-N 0 0 432.480 2.563 50 0 IFAARN Cc1cccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NC2CCCC2)C3)c1 ZINC000064954472 568997950 /nfs/dbraw/zinc/99/79/50/568997950.db2.gz ZBTCGDPUBUKCRV-RUZDIDTESA-N 0 0 449.555 2.557 50 0 IFAARN CCOC(=O)CCC(=O)N1CCN([C@@H](C(=O)Nc2cccc(OC)c2)C2CCCC2)CC1 ZINC000036311726 568998322 /nfs/dbraw/zinc/99/83/22/568998322.db2.gz IKXDUTNUGXWJFA-HSZRJFAPSA-N 0 0 445.560 2.680 50 0 IFAARN O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NCCc1cccs1 ZINC000064955573 568998545 /nfs/dbraw/zinc/99/85/45/568998545.db2.gz XYCWOMVVNLXTGI-UHFFFAOYSA-N 0 0 429.571 2.541 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)c1 ZINC000064957775 568999116 /nfs/dbraw/zinc/99/91/16/568999116.db2.gz KWHNRPGUVCIIJS-CYBMUJFWSA-N 0 0 430.452 2.961 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)c(OC)c1 ZINC000064958079 568999270 /nfs/dbraw/zinc/99/92/70/568999270.db2.gz BWZXRGGKSMBZEU-HNNXBMFYSA-N 0 0 436.534 2.521 50 0 IFAARN COc1cccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000064957010 568999273 /nfs/dbraw/zinc/99/92/73/568999273.db2.gz ZBHXALSVYBQSIO-UHFFFAOYSA-N 0 0 447.532 2.925 50 0 IFAARN COc1cccc(C2=NC3(CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)NC2=O)c1 ZINC000064965737 569000992 /nfs/dbraw/zinc/00/09/92/569000992.db2.gz HKWASDMZBGYUHG-UHFFFAOYSA-N 0 0 447.944 2.757 50 0 IFAARN COc1ccc(CN2CCc3c(c(=O)n4ncc(C(=O)Nc5ccccc5)c4n3C)C2)cc1 ZINC000064967739 569001300 /nfs/dbraw/zinc/00/13/00/569001300.db2.gz INLMUSRAVLRDSA-UHFFFAOYSA-N 0 0 443.507 2.852 50 0 IFAARN Cn1c(=O)c(C(=O)N2CCC(Cc3ccccc3)CC2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064966810 569001500 /nfs/dbraw/zinc/00/15/00/569001500.db2.gz NHSHGQYCZICSRA-UHFFFAOYSA-N 0 0 438.915 2.680 50 0 IFAARN Cc1cccc(Cc2nnc(CCNS(=O)(=O)c3ccc(Br)cc3)[nH]2)c1 ZINC000064969820 569076263 /nfs/dbraw/zinc/07/62/63/569076263.db2.gz SRMIRYZUXVBXEP-UHFFFAOYSA-N 0 0 435.347 2.987 50 0 IFAARN CCN1CCN(C(=O)CN2c3ccccc3N(C(=O)Nc3ccc(C)cc3)CC2=O)CC1 ZINC000064971441 569076273 /nfs/dbraw/zinc/07/62/73/569076273.db2.gz BFEGIKAIIAWWHK-UHFFFAOYSA-N 0 0 435.528 2.544 50 0 IFAARN CCOCCCNC(=O)CN1C(=O)CN(C(=O)Nc2ccc(OC)cc2)c2ccccc21 ZINC000064971604 569076717 /nfs/dbraw/zinc/07/67/17/569076717.db2.gz KKEFWMVEIPIRTE-UHFFFAOYSA-N 0 0 440.500 2.623 50 0 IFAARN O=C(c1ccccc1)N1CCc2cc(CNS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)ccc21 ZINC000064976947 569077397 /nfs/dbraw/zinc/07/73/97/569077397.db2.gz FBIIYVVODYQZPE-UHFFFAOYSA-N 0 0 449.488 2.803 50 0 IFAARN O=C(CN1CCC2(CC1)OCCO2)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036342641 569079442 /nfs/dbraw/zinc/07/94/42/569079442.db2.gz HOMAKEKWZQNOIW-OAQYLSRUSA-N 0 0 449.507 2.932 50 0 IFAARN CCN(CC)C(=O)[C@H](NC(=O)CC(C)C)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036347072 569081612 /nfs/dbraw/zinc/08/16/12/569081612.db2.gz BVTXBNYQFIPQAM-JOCHJYFZSA-N 0 0 445.560 2.667 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCCCO2)Cc1ccccc1Cl ZINC000064987339 569082469 /nfs/dbraw/zinc/08/24/69/569082469.db2.gz AUTSGHJSAXSCBT-UHFFFAOYSA-N 0 0 438.933 2.579 50 0 IFAARN COc1cc2c(cc1CNC(=O)CSc1nnc(-c3ccco3)n1C)OCCCO2 ZINC000064987072 569082590 /nfs/dbraw/zinc/08/25/90/569082590.db2.gz ZSMRHASSWFGUQO-UHFFFAOYSA-N 0 0 430.486 2.654 50 0 IFAARN COc1cc(C(=O)NCc2nnc(C(=O)Nc3ccccc3)s2)cc(OC)c1OC ZINC000064991187 569083550 /nfs/dbraw/zinc/08/35/50/569083550.db2.gz DXQNQHHUSIVATA-UHFFFAOYSA-N 0 0 428.470 2.746 50 0 IFAARN COc1ccc(NC(=O)c2nnc(CNC(=O)COc3ccc(OC)cc3)s2)cc1 ZINC000064991132 569083564 /nfs/dbraw/zinc/08/35/64/569083564.db2.gz QDSGOIHUDXHEHG-UHFFFAOYSA-N 0 0 428.470 2.503 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 ZINC000064988502 569083683 /nfs/dbraw/zinc/08/36/83/569083683.db2.gz NFBWMCLKESVUAY-LJQANCHMSA-N 0 0 432.498 2.728 50 0 IFAARN Cc1ccc(F)cc1S(=O)(=O)NCc1nnc(C(=O)Nc2ccc(F)cc2F)s1 ZINC000064991835 569084338 /nfs/dbraw/zinc/08/43/38/569084338.db2.gz GYDPFDFWBGUGEH-UHFFFAOYSA-N 0 0 442.444 2.995 50 0 IFAARN O=C(Nc1ccc(F)cc1F)c1nnc(CNS(=O)(=O)c2ccc(F)cc2)s1 ZINC000064991800 569084877 /nfs/dbraw/zinc/08/48/77/569084877.db2.gz LVBQWZMHPBNXFT-UHFFFAOYSA-N 0 0 428.417 2.686 50 0 IFAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccccc1OCc1ccccn1)CC(=O)N2 ZINC000036358060 569084922 /nfs/dbraw/zinc/08/49/22/569084922.db2.gz ZEBSIYDBAYSDAF-KRWDZBQOSA-N 0 0 428.452 2.712 50 0 IFAARN CN(C)[C@@H](CNC(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1)c1ccc(Cl)cc1 ZINC000036358200 569084978 /nfs/dbraw/zinc/08/49/78/569084978.db2.gz UCSVBEYUXMUYIG-SFHVURJKSA-N 0 0 434.945 2.873 50 0 IFAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)N1CCC(C(N)=O)CC1 ZINC000064998560 569085218 /nfs/dbraw/zinc/08/52/18/569085218.db2.gz ZGLICPJGBLYCNS-UHFFFAOYSA-N 0 0 438.557 2.962 50 0 IFAARN Cc1nc2ccccc2nc1N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(CO)ccc32)CC1 ZINC000036358930 569085360 /nfs/dbraw/zinc/08/53/60/569085360.db2.gz GMQGCSFDNVPKSK-JOCHJYFZSA-N 0 0 431.496 2.860 50 0 IFAARN CCOc1ccccc1-c1noc(Cn2c3ccccc3c(=O)n(C[C@H]3CCCO3)c2=O)n1 ZINC000064998937 569085649 /nfs/dbraw/zinc/08/56/49/569085649.db2.gz ACMLNONTNJIBFQ-MRXNPFEDSA-N 0 0 448.479 2.839 50 0 IFAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000036360535 569086561 /nfs/dbraw/zinc/08/65/61/569086561.db2.gz GPUIPSZPWZMFFA-OUZREKFBSA-N 0 0 432.524 2.950 50 0 IFAARN Cc1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1S(=O)(=O)N1CCCCCC1 ZINC000065009525 569088033 /nfs/dbraw/zinc/08/80/33/569088033.db2.gz LYMMOKDQXSMBEC-UHFFFAOYSA-N 0 0 429.590 2.769 50 0 IFAARN COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)COc3ccccc3)ccc2n1C ZINC000036369958 569088550 /nfs/dbraw/zinc/08/85/50/569088550.db2.gz JRHMTIKFROLQAP-UHFFFAOYSA-N 0 0 433.468 2.704 50 0 IFAARN O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000065021973 569089055 /nfs/dbraw/zinc/08/90/55/569089055.db2.gz VCVXFQNLRAMGLR-UHFFFAOYSA-N 0 0 435.502 2.768 50 0 IFAARN COc1cc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)cc(OC)c1OC ZINC000065023095 569089165 /nfs/dbraw/zinc/08/91/65/569089165.db2.gz AFRUQWPQWKAILP-CYBMUJFWSA-N 0 0 443.431 2.803 50 0 IFAARN Cc1ccc(C)c(NC(=O)NCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000065029852 569091106 /nfs/dbraw/zinc/09/11/06/569091106.db2.gz BVOUILXNOJPKBS-UHFFFAOYSA-N 0 0 442.545 2.654 50 0 IFAARN Cc1cc(C)cc(NC(=O)NCCn2nnc3cc(S(=O)(=O)NC(C)C)ccc32)c1 ZINC000065029982 569091202 /nfs/dbraw/zinc/09/12/02/569091202.db2.gz IUFRCYRGKOQWDU-UHFFFAOYSA-N 0 0 430.534 2.557 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1cc(C)cc(C)c1 ZINC000065029941 569091204 /nfs/dbraw/zinc/09/12/04/569091204.db2.gz GAQDSFFQQAPERY-UHFFFAOYSA-N 0 0 444.561 2.900 50 0 IFAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000065030683 569091312 /nfs/dbraw/zinc/09/13/12/569091312.db2.gz RYHGGLMHEJNFFS-UHFFFAOYSA-N 0 0 445.570 2.859 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(n3cnc4ccc(C)cc4c3=O)CC2)c1 ZINC000065034766 569092235 /nfs/dbraw/zinc/09/22/35/569092235.db2.gz NSDKHEYVHAOBCJ-UHFFFAOYSA-N 0 0 443.525 2.748 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(SCCOc3ccccc3Cl)nc2)CC1 ZINC000036384673 569092904 /nfs/dbraw/zinc/09/29/04/569092904.db2.gz XAKYLOCXWBGFQN-UHFFFAOYSA-N 0 0 427.979 2.842 50 0 IFAARN C[C@@H](NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000036386003 569092921 /nfs/dbraw/zinc/09/29/21/569092921.db2.gz HORPRMLPRRCONZ-HZPDHXFCSA-N 0 0 437.512 2.537 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 ZINC000036386011 569092928 /nfs/dbraw/zinc/09/29/28/569092928.db2.gz XWVYRNKUKQSPNT-UHFFFAOYSA-N 0 0 431.558 2.638 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000036386267 569092972 /nfs/dbraw/zinc/09/29/72/569092972.db2.gz HDPOBAIFVBGWAQ-UHFFFAOYSA-N 0 0 444.582 2.782 50 0 IFAARN O=C(CN1CCN(C(=O)C[C@@H]2OC(=O)c3ccccc32)CC1)Nc1ccccc1Cl ZINC000036385056 569093034 /nfs/dbraw/zinc/09/30/34/569093034.db2.gz IDCDGNNFFKDICG-IBGZPJMESA-N 0 0 427.888 2.725 50 0 IFAARN COc1ccc(COC(=O)C2=CN(Cc3ccc(OC)cc3)S(=O)(=O)N=C2C)cc1 ZINC000169755179 569093493 /nfs/dbraw/zinc/09/34/93/569093493.db2.gz GIUNNOJWSMVIBP-UHFFFAOYSA-N 0 0 430.482 2.852 50 0 IFAARN COc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NC(C)C)CC4)c3CO2)cc1 ZINC000169758860 569093938 /nfs/dbraw/zinc/09/39/38/569093938.db2.gz DGTUFDINQACKCG-HXUWFJFHSA-N 0 0 426.517 2.540 50 0 IFAARN O=C(CN1C2=C(C(=O)OC2)[C@H](c2ccc(Cl)cc2)NC1=O)NCc1ccc(F)cc1 ZINC000169757878 569094111 /nfs/dbraw/zinc/09/41/11/569094111.db2.gz IJTMTPPXYPWRCY-IBGZPJMESA-N 0 0 429.835 2.673 50 0 IFAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2cccc(F)c2)C2=C1C(=O)OC2 ZINC000169758173 569094385 /nfs/dbraw/zinc/09/43/85/569094385.db2.gz QOZUFHQGHCMDEA-FQEVSTJZSA-N 0 0 425.416 2.740 50 0 IFAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C2=C1C(=O)OC2 ZINC000169758162 569094387 /nfs/dbraw/zinc/09/43/87/569094387.db2.gz OUYGAEGURRQLFI-HXUWFJFHSA-N 0 0 443.406 2.879 50 0 IFAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2cccc(C(C)=O)c2)C2=C1C(=O)OC2 ZINC000169758163 569094397 /nfs/dbraw/zinc/09/43/97/569094397.db2.gz YZSATJXVBITRPN-QFIPXVFZSA-N 0 0 449.463 2.804 50 0 IFAARN O=C(NCc1ccncc1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000169758735 569094451 /nfs/dbraw/zinc/09/44/51/569094451.db2.gz GSYRBEHKTCFQDT-JOCHJYFZSA-N 0 0 445.523 2.718 50 0 IFAARN CCOc1ccc([C@H]2NC(=O)N(CC(=O)NCCC3=CCCCC3)C3=C2C(=O)OC3)cc1 ZINC000169760796 569094689 /nfs/dbraw/zinc/09/46/89/569094689.db2.gz PHMIZOZYTWXHDP-JOCHJYFZSA-N 0 0 439.512 2.969 50 0 IFAARN CCCCN(CC)C(=O)Cn1c(=O)c2cnc(-c3ccc(Cl)cc3)nc2n(CC)c1=O ZINC000065056982 569094989 /nfs/dbraw/zinc/09/49/89/569094989.db2.gz URHJMFMPMVNIFP-UHFFFAOYSA-N 0 0 443.935 2.942 50 0 IFAARN CCn1c(=O)n(CC(=O)NCc2ccc(Cl)cc2)c(=O)c2cnc(-c3ccccc3)nc21 ZINC000065057306 569095134 /nfs/dbraw/zinc/09/51/34/569095134.db2.gz JJNHJXCVPXDJRG-UHFFFAOYSA-N 0 0 449.898 2.610 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCCCN(C)c2ccccc2)CC1 ZINC000065061366 569096398 /nfs/dbraw/zinc/09/63/98/569096398.db2.gz KNPNNOXUDINDGN-UHFFFAOYSA-N 0 0 448.589 2.725 50 0 IFAARN CNC(=O)Cc1ccccc1NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036392386 569098238 /nfs/dbraw/zinc/09/82/38/569098238.db2.gz RZFWKALHDWFOAR-UHFFFAOYSA-N 0 0 442.566 2.634 50 0 IFAARN CC(=O)N1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)CC1 ZINC000036396817 569099240 /nfs/dbraw/zinc/09/92/40/569099240.db2.gz FKKFTARMQFCNEK-UHFFFAOYSA-N 0 0 431.418 2.986 50 0 IFAARN COc1ccc(-c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCOCC3)no2)c(C)c1 ZINC000065076081 569099988 /nfs/dbraw/zinc/09/99/88/569099988.db2.gz JDRAGIFTXCLFGI-UHFFFAOYSA-N 0 0 448.483 2.714 50 0 IFAARN COc1ccccc1CNC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077423 569100308 /nfs/dbraw/zinc/10/03/08/569100308.db2.gz KHBSQICZFPWAEI-CQSZACIVSA-N 0 0 448.566 2.998 50 0 IFAARN O=C(CN1c2ccc(S(=O)(=O)N3CCCC3)cc2CCCC1=O)Nc1ccccc1 ZINC000065078568 569100623 /nfs/dbraw/zinc/10/06/23/569100623.db2.gz IQBCOMLKVMUCIH-UHFFFAOYSA-N 0 0 427.526 2.779 50 0 IFAARN Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1C ZINC000036398668 569101498 /nfs/dbraw/zinc/10/14/98/569101498.db2.gz LGAFUBYFXIBFGB-UHFFFAOYSA-N 0 0 427.570 2.737 50 0 IFAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000169772697 569101610 /nfs/dbraw/zinc/10/16/10/569101610.db2.gz QOUSMPRZGWWVJL-HXUWFJFHSA-N 0 0 431.496 2.800 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccc(OC)c4)ccn3n2)cc1 ZINC000169775831 569101954 /nfs/dbraw/zinc/10/19/54/569101954.db2.gz CQTHVDHITIJRAT-UHFFFAOYSA-N 0 0 432.480 2.539 50 0 IFAARN O=C(c1nnn(-c2ccccc2Cl)c1-c1ccncc1)N1CCC2(CC1)OCCO2 ZINC000065083119 569102217 /nfs/dbraw/zinc/10/22/17/569102217.db2.gz LQJLHGNQFWJIST-UHFFFAOYSA-N 0 0 425.876 2.962 50 0 IFAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cc(OC)cc(OC)c4)ccn3n2)c1 ZINC000169777091 569102252 /nfs/dbraw/zinc/10/22/52/569102252.db2.gz AFTSOOFSBCMGJB-UHFFFAOYSA-N 0 0 448.479 2.619 50 0 IFAARN COc1ccc(CC(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(OC)cc3)CC2)cc1 ZINC000169777238 569102445 /nfs/dbraw/zinc/10/24/45/569102445.db2.gz ITFNXGLQKCFTFM-UHFFFAOYSA-N 0 0 436.512 2.586 50 0 IFAARN COc1ccc(CCNC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)cc1OC ZINC000169778290 569102626 /nfs/dbraw/zinc/10/26/26/569102626.db2.gz URJIVOOVEVMHIB-UHFFFAOYSA-N 0 0 438.528 2.609 50 0 IFAARN O=C(c1ccc2c(c1)OCO2)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778057 569102642 /nfs/dbraw/zinc/10/26/42/569102642.db2.gz XCSLPTKUVODHFG-INIZCTEOSA-N 0 0 430.424 2.811 50 0 IFAARN CCOc1ccccc1CNC(=O)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 ZINC000169779271 569103192 /nfs/dbraw/zinc/10/31/92/569103192.db2.gz VXPSOMBNAZDBJI-UHFFFAOYSA-N 0 0 437.496 2.616 50 0 IFAARN Cc1ccc(NC(=O)CC2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 ZINC000065085871 569103206 /nfs/dbraw/zinc/10/32/06/569103206.db2.gz QVQCERWZTVJUCB-UHFFFAOYSA-N 0 0 443.525 2.869 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCC(CC(=O)N4CCCCCC4)CC3)cc2oc1=O ZINC000065085925 569103229 /nfs/dbraw/zinc/10/32/29/569103229.db2.gz PZXKFEFNHXVQQO-UHFFFAOYSA-N 0 0 449.573 2.808 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N3CCC(CC(=O)N[C@H](C)CC)CC3)cc2oc1=O ZINC000065086173 569103354 /nfs/dbraw/zinc/10/33/54/569103354.db2.gz WOFKMDNKPLOWGX-OAHLLOKOSA-N 0 0 437.562 2.710 50 0 IFAARN CCc1nnc(-c2csc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)c2)o1 ZINC000065098633 569104179 /nfs/dbraw/zinc/10/41/79/569104179.db2.gz JMUPINIQNZORRO-UHFFFAOYSA-N 0 0 434.543 2.880 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1 ZINC000065098746 569104181 /nfs/dbraw/zinc/10/41/81/569104181.db2.gz QFRQBXNSJYGMFK-UHFFFAOYSA-N 0 0 432.527 2.855 50 0 IFAARN O=C(c1nnc(-c2csc(S(=O)(=O)NCCCc3ccccc3)c2)o1)N1CCCC1 ZINC000065098795 569104244 /nfs/dbraw/zinc/10/42/44/569104244.db2.gz JAADPXASCJEDSA-UHFFFAOYSA-N 0 0 446.554 2.945 50 0 IFAARN O=C(c1nnc(-c2csc(S(=O)(=O)NCc3ccccc3)c2)o1)N1CCCCC1 ZINC000065099011 569105104 /nfs/dbraw/zinc/10/51/04/569105104.db2.gz ZAIMRHSBQKDMTG-UHFFFAOYSA-N 0 0 432.527 2.903 50 0 IFAARN CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1nc(-c2cccc(C)c2)no1 ZINC000065099671 569105300 /nfs/dbraw/zinc/10/53/00/569105300.db2.gz ZQVMJVAOBPUUSH-HNNXBMFYSA-N 0 0 428.518 2.711 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)Nc4ccccc4F)c(=O)n3c2)cc1 ZINC000065100323 569105502 /nfs/dbraw/zinc/10/55/02/569105502.db2.gz WZKSIOVVYLNTDU-UHFFFAOYSA-N 0 0 433.443 2.512 50 0 IFAARN O=C(Cn1nc2ccc(C(=O)NCc3ccccc3)cn2c1=O)Nc1ccc2c(c1)CCC2 ZINC000065100291 569105522 /nfs/dbraw/zinc/10/55/22/569105522.db2.gz NFVTWPBUEYEGCV-UHFFFAOYSA-N 0 0 441.491 2.553 50 0 IFAARN CCc1ccc(-n2c(=O)c3sc(SC)nc3n(CC(=O)N[C@@H](C)CC)c2=O)cc1 ZINC000065100613 569105593 /nfs/dbraw/zinc/10/55/93/569105593.db2.gz ORZULOMLKOKCGM-LBPRGKRZSA-N 0 0 432.571 2.808 50 0 IFAARN O=C(CCc1nc2ccccc2n(CC(=O)NCc2ccccc2)c1=O)NC1CCCC1 ZINC000065101536 569105852 /nfs/dbraw/zinc/10/58/52/569105852.db2.gz ZRCRJDNEBSTULB-UHFFFAOYSA-N 0 0 432.524 2.704 50 0 IFAARN COc1ccc(CNS(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)cc1 ZINC000065115266 569106701 /nfs/dbraw/zinc/10/67/01/569106701.db2.gz DTNPSWVXMLSMJL-UHFFFAOYSA-N 0 0 429.498 2.941 50 0 IFAARN O=C(c1noc2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc21)N1CCCCC1 ZINC000065115275 569106789 /nfs/dbraw/zinc/10/67/89/569106789.db2.gz NCZOJMFRUVPPAV-UHFFFAOYSA-N 0 0 443.481 2.661 50 0 IFAARN Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCCCN4CCCc5ccccc54)n3)c2c1 ZINC000065111775 569107812 /nfs/dbraw/zinc/10/78/12/569107812.db2.gz DBVLGELTSROSJP-UHFFFAOYSA-N 0 0 447.495 2.907 50 0 IFAARN CCc1nnc(-c2cccnc2N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)o1 ZINC000065117890 569108903 /nfs/dbraw/zinc/10/89/03/569108903.db2.gz UAQPYHKAXGLESY-UHFFFAOYSA-N 0 0 439.541 2.694 50 0 IFAARN CCN1CCN(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C(=O)C1=O ZINC000065130382 569109164 /nfs/dbraw/zinc/10/91/64/569109164.db2.gz AMVBJPSMFKUPMO-UHFFFAOYSA-N 0 0 430.302 2.892 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1)Nc1cc(F)ccc1F ZINC000065131722 569109496 /nfs/dbraw/zinc/10/94/96/569109496.db2.gz SDAUAMLTYBYMPD-ZDUSSCGKSA-N 0 0 447.511 2.981 50 0 IFAARN Cc1ccc(CNC(=O)CSc2ccc(N3CCC[C@@H](C(=O)NC4CC4)C3)nn2)cc1 ZINC000065131545 569109504 /nfs/dbraw/zinc/10/95/04/569109504.db2.gz NEJCUIHIMVHXRH-GOSISDBHSA-N 0 0 439.585 2.689 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)nn1)Nc1c(F)cccc1F ZINC000065131845 569109677 /nfs/dbraw/zinc/10/96/77/569109677.db2.gz SWERHDKZBPCSBN-CYBMUJFWSA-N 0 0 447.511 2.981 50 0 IFAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)NCc3ccc(C)cc3)nn2)C1 ZINC000065132001 569109740 /nfs/dbraw/zinc/10/97/40/569109740.db2.gz PIAXIEIBWWFQBT-IBGZPJMESA-N 0 0 441.601 2.936 50 0 IFAARN Cc1cc(NC(=O)Cn2ncc3c(c2=O)N(C2CC2)C(=O)CS3)ccc1Br ZINC000065132747 569109807 /nfs/dbraw/zinc/10/98/07/569109807.db2.gz AGIDGJYGACUITM-UHFFFAOYSA-N 0 0 449.330 2.554 50 0 IFAARN Cc1nn(Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c(C)c1S(=O)(=O)N(C)C ZINC000065138378 569110711 /nfs/dbraw/zinc/11/07/11/569110711.db2.gz IFJNIXUNYINIJV-UHFFFAOYSA-N 0 0 444.532 2.868 50 0 IFAARN Cc1nn(Cc2ccc(C(=O)N3CCCCC3)cc2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000065138408 569110722 /nfs/dbraw/zinc/11/07/22/569110722.db2.gz OXARQGTYBDIOAC-UHFFFAOYSA-N 0 0 430.574 2.959 50 0 IFAARN O=C(Cn1nc2c(N3CCc4ccccc4C3)nccn2c1=O)Nc1ccccc1Cl ZINC000065151575 569111386 /nfs/dbraw/zinc/11/13/86/569111386.db2.gz UCDCOPFEQMZEPQ-UHFFFAOYSA-N 0 0 434.887 2.746 50 0 IFAARN CCc1ccccc1NC(=O)Cn1nc2c(N3CCc4ccccc4C3)nccn2c1=O ZINC000065151563 569111399 /nfs/dbraw/zinc/11/13/99/569111399.db2.gz KFFMWUSHXJPZTQ-UHFFFAOYSA-N 0 0 428.496 2.655 50 0 IFAARN COc1cccc(NC(=O)Cn2nc3c(Oc4ccc(Cl)cc4)nccn3c2=O)c1 ZINC000065150880 569111588 /nfs/dbraw/zinc/11/15/88/569111588.db2.gz BQBVXONRPIUPIB-UHFFFAOYSA-N 0 0 425.832 2.984 50 0 IFAARN Cc1cccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)nc23)c1 ZINC000065150932 569111647 /nfs/dbraw/zinc/11/16/47/569111647.db2.gz WBEZQPOGJNOZSG-UHFFFAOYSA-N 0 0 435.465 2.718 50 0 IFAARN CC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(Br)o1)[C@@H](C(=O)N(C)C)C2 ZINC000065167368 569112582 /nfs/dbraw/zinc/11/25/82/569112582.db2.gz XRDFJNPAOBLHJW-OAHLLOKOSA-N 0 0 434.290 2.656 50 0 IFAARN CCc1nc2c(-c3ccncc3)nsc2c(=O)n1CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000065171074 569112803 /nfs/dbraw/zinc/11/28/03/569112803.db2.gz UQQXAOBZRJMQRL-UHFFFAOYSA-N 0 0 449.492 2.903 50 0 IFAARN O=C(C1=NN(c2ccccc2)c2ncccc2S1(=O)=O)N1CCN(c2ccccc2)CC1 ZINC000065183420 569113861 /nfs/dbraw/zinc/11/38/61/569113861.db2.gz CRKLCGPFSWBZOF-UHFFFAOYSA-N 0 0 447.520 2.669 50 0 IFAARN O=C(NCCc1cccnc1)C1=NN(c2ccc(Cl)cc2)c2ncccc2S1(=O)=O ZINC000065183486 569113953 /nfs/dbraw/zinc/11/39/53/569113953.db2.gz LYJNFKBUCKNTFW-UHFFFAOYSA-N 0 0 441.900 2.728 50 0 IFAARN Cc1ccc(N2CCN(S(=O)(=O)c3cc4c(s3)CCN(C(=O)C3CC3)C4)CC2)cc1 ZINC000065196256 569115668 /nfs/dbraw/zinc/11/56/68/569115668.db2.gz ZQBCTVIOWKISBS-UHFFFAOYSA-N 0 0 445.610 2.862 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)Nc4cc(OC)cc(OC)c4)c(=O)n3c(C)n2)cc1 ZINC000065196650 569115809 /nfs/dbraw/zinc/11/58/09/569115809.db2.gz OSSBCLOLNHMCAK-UHFFFAOYSA-N 0 0 449.467 2.531 50 0 IFAARN COc1cc(NC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)cc(OC)c1OC ZINC000065196614 569115812 /nfs/dbraw/zinc/11/58/12/569115812.db2.gz GZPIIIMCXWHZMM-UHFFFAOYSA-N 0 0 449.467 2.531 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)Nc4cccc(Cl)c4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197117 569115870 /nfs/dbraw/zinc/11/58/70/569115870.db2.gz IPYDLKYRVFDSJV-UHFFFAOYSA-N 0 0 436.855 2.999 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)Nc4ccc(Cl)cc4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197118 569115907 /nfs/dbraw/zinc/11/59/07/569115907.db2.gz BZTSSVCGUSEKFX-UHFFFAOYSA-N 0 0 436.855 2.999 50 0 IFAARN O=C(NCCc1cccnc1)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1F)CC2 ZINC000065210629 569116296 /nfs/dbraw/zinc/11/62/96/569116296.db2.gz WPYOBVGQTKPHGG-UHFFFAOYSA-N 0 0 425.485 2.945 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)NCc1ccccc1Cl ZINC000065212458 569116763 /nfs/dbraw/zinc/11/67/63/569116763.db2.gz RIUXETIBXFISSM-UHFFFAOYSA-N 0 0 445.928 2.927 50 0 IFAARN O=C(NCc1ccco1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000036543607 569117394 /nfs/dbraw/zinc/11/73/94/569117394.db2.gz HUIQEZPEAKRUCY-RPWUZVMVSA-N 0 0 442.519 2.819 50 0 IFAARN COc1cccc(CNC(=O)C2CCN(c3cncnc3N3CCCC3)CC2)c1OC ZINC000065226298 569117846 /nfs/dbraw/zinc/11/78/46/569117846.db2.gz RAGFMGUFHKCRJL-UHFFFAOYSA-N 0 0 425.533 2.627 50 0 IFAARN COc1cc2cc(C(=O)N[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)[nH]c2c(OC)c1OC ZINC000036569642 569118343 /nfs/dbraw/zinc/11/83/43/569118343.db2.gz TYQPYKWOJRNVSW-LLVKDONJSA-N 0 0 441.440 2.679 50 0 IFAARN Cc1cc(C)c2c(n1)nc(C(=O)N1CCN(c3ccccn3)CC1)nc2N1CCCCC1 ZINC000065232034 569118590 /nfs/dbraw/zinc/11/85/90/569118590.db2.gz CKFSVJFIBZZVFX-UHFFFAOYSA-N 0 0 431.544 2.989 50 0 IFAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccc(Cl)cc1 ZINC000036597309 569118769 /nfs/dbraw/zinc/11/87/69/569118769.db2.gz RYEUGHGDJPEPCS-QGZVFWFLSA-N 0 0 443.887 2.833 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1 ZINC000036597335 569118782 /nfs/dbraw/zinc/11/87/82/569118782.db2.gz VADTYELJKXAGLQ-IFMALSPDSA-N 0 0 434.496 2.860 50 0 IFAARN COc1cccc(CNC(=O)CC[C@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000036596944 569118791 /nfs/dbraw/zinc/11/87/91/569118791.db2.gz JDNMPDGJGMTDKK-OAQYLSRUSA-N 0 0 434.496 2.940 50 0 IFAARN CSc1ncccc1C(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1 ZINC000065232257 569119018 /nfs/dbraw/zinc/11/90/18/569119018.db2.gz NPQQUHBMLRLUKB-UHFFFAOYSA-N 0 0 430.530 2.592 50 0 IFAARN O=C(NCc1ccccc1C(F)(F)F)C1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000065237226 569119638 /nfs/dbraw/zinc/11/96/38/569119638.db2.gz DHEVTTHBXKFBLL-UHFFFAOYSA-N 0 0 449.477 2.865 50 0 IFAARN CCCCNC(=O)CC[C@H]1NC(=O)N(CC2(c3ccc(OC)cc3)CCOCC2)C1=O ZINC000036580059 569119753 /nfs/dbraw/zinc/11/97/53/569119753.db2.gz PHDWBIRGDILVJG-LJQANCHMSA-N 0 0 431.533 2.565 50 0 IFAARN COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@H](CO)c3ccccc3)CC2)cc1 ZINC000036584820 569119899 /nfs/dbraw/zinc/11/98/99/569119899.db2.gz ZGFFZQYJKHFUMH-RKOYOZNISA-N 0 0 446.569 2.630 50 0 IFAARN C=C1C(N2CCC(NC(=O)c3ccccn3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239173 569120116 /nfs/dbraw/zinc/12/01/16/569120116.db2.gz APIAEUJIOVZBPZ-UHFFFAOYSA-N 0 0 428.489 2.588 50 0 IFAARN C=C1C(N2CCCN(C(=O)c3cccnc3)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239545 569120594 /nfs/dbraw/zinc/12/05/94/569120594.db2.gz LXDLWMVQYMCHJW-UHFFFAOYSA-N 0 0 438.553 2.965 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3cccnc3n3nc(-c4ccco4)cc3c2=O)cc1 ZINC000065240313 569120773 /nfs/dbraw/zinc/12/07/73/569120773.db2.gz PCZZFSLOUGFPPP-UHFFFAOYSA-N 0 0 429.436 2.629 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)cc(OC)c1)C(=O)OC ZINC000036593649 569121237 /nfs/dbraw/zinc/12/12/37/569121237.db2.gz QATGDIKBGJSNQD-GMVOTWDCSA-N 0 0 430.505 2.672 50 0 IFAARN O=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NCc1cccnc1 ZINC000036594782 569121360 /nfs/dbraw/zinc/12/13/60/569121360.db2.gz DVHCWEYNGKGHHQ-LJQANCHMSA-N 0 0 439.903 2.980 50 0 IFAARN CCNc1cc(N2CCC[C@@H](CCC(=O)NC3CCN(C(=O)OCC)CC3)C2)ncn1 ZINC000065245083 569121574 /nfs/dbraw/zinc/12/15/74/569121574.db2.gz ONEGVCACTDIYMS-KRWDZBQOSA-N 0 0 432.569 2.642 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3nnc(C(C)C)o3)co2)CC1 ZINC000065246599 569121849 /nfs/dbraw/zinc/12/18/49/569121849.db2.gz RDLFUXGXGPCKGF-UHFFFAOYSA-N 0 0 432.502 2.973 50 0 IFAARN COC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cn(C(F)F)nc2C)o1 ZINC000036615059 569122400 /nfs/dbraw/zinc/12/24/00/569122400.db2.gz LKOCIPDMSVLCBU-UHFFFAOYSA-N 0 0 429.401 2.950 50 0 IFAARN O=C(Nc1cccc(Cl)c1)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1 ZINC000065254283 569122495 /nfs/dbraw/zinc/12/24/95/569122495.db2.gz XULPINVINMZJSH-UHFFFAOYSA-N 0 0 431.905 2.958 50 0 IFAARN Cn1ncc2c1nc(C(=O)N1CCN(c3ccccc3Cl)CC1)nc2N1CCCCC1 ZINC000065257153 569123312 /nfs/dbraw/zinc/12/33/12/569123312.db2.gz QMHRNNAMHHAEQT-UHFFFAOYSA-N 0 0 439.951 2.969 50 0 IFAARN Cn1ncc2c1nc(C(=O)NCc1ccc(C(F)(F)F)cc1)nc2N1CCSCC1 ZINC000065257202 569123411 /nfs/dbraw/zinc/12/34/11/569123411.db2.gz ATGLHCVQLDKBTD-UHFFFAOYSA-N 0 0 436.463 2.865 50 0 IFAARN Cc1nc(C(=O)NCCc2ccc(Cl)cc2)c(C)n1C1CCN(S(C)(=O)=O)CC1 ZINC000065257426 569123501 /nfs/dbraw/zinc/12/35/01/569123501.db2.gz CWRKXTDJHPSKTF-UHFFFAOYSA-N 0 0 438.981 2.722 50 0 IFAARN CCN1CCCn2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C1=O ZINC000065258755 569124608 /nfs/dbraw/zinc/12/46/08/569124608.db2.gz PZKVEHUOBKUCRC-UHFFFAOYSA-N 0 0 436.965 2.518 50 0 IFAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)c1ccc2c(c1)NC(=O)CO2 ZINC000013120257 569125156 /nfs/dbraw/zinc/12/51/56/569125156.db2.gz PMSRLYCZLIAXNV-KRWDZBQOSA-N 0 0 425.422 2.888 50 0 IFAARN CCn1c2ccc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2[nH]c(=O)c1=O ZINC000013128178 569125271 /nfs/dbraw/zinc/12/52/71/569125271.db2.gz MTJFYSOHLJPION-UHFFFAOYSA-N 0 0 444.495 2.947 50 0 IFAARN COCCCN(C(=O)c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013134491 569125576 /nfs/dbraw/zinc/12/55/76/569125576.db2.gz ZNGSIYGTNROQBT-UHFFFAOYSA-N 0 0 442.903 2.504 50 0 IFAARN O=[N+]([O-])c1cccc(C=NN=c2nc(NCc3ccccc3)[nH]c(N3CCOCC3)n2)c1 ZINC000013152112 569125777 /nfs/dbraw/zinc/12/57/77/569125777.db2.gz MMCLRBFOWIKQCI-UHFFFAOYSA-N 0 0 434.460 2.675 50 0 IFAARN COc1cc([C@@H](CC(=O)NCCc2ccc(O)cc2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730841 569126181 /nfs/dbraw/zinc/12/61/81/569126181.db2.gz ZGCYRVIBQHZEGX-GOSISDBHSA-N 0 0 439.464 2.955 50 0 IFAARN CSCC[C@@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524732388 569126722 /nfs/dbraw/zinc/12/67/22/569126722.db2.gz XWKIEHVJDKOHKX-QRFQSNJMSA-N 0 0 431.558 2.550 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)CC2=O)c(OC)c1 ZINC000524732271 569126757 /nfs/dbraw/zinc/12/67/57/569126757.db2.gz BGPFQDZGMFYZOP-YJBOKZPZSA-N 0 0 440.496 2.878 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccco1 ZINC000036623969 569126895 /nfs/dbraw/zinc/12/68/95/569126895.db2.gz BJVPBTWXWCQGJL-NRFANRHFSA-N 0 0 431.492 2.605 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000524733082 569126972 /nfs/dbraw/zinc/12/69/72/569126972.db2.gz RRQSDKQBRNZHRR-PMACEKPBSA-N 0 0 432.480 2.811 50 0 IFAARN CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cccc(OCCN2CCOCC2)c1 ZINC000524734298 569127564 /nfs/dbraw/zinc/12/75/64/569127564.db2.gz RCGHKZWSUQDLLG-UHFFFAOYSA-N 0 0 436.512 2.949 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](NC(=O)CCN1C(=O)C[C@@](C)(c3ccccc3)C1=O)CC2 ZINC000524733827 569127851 /nfs/dbraw/zinc/12/78/51/569127851.db2.gz STLLMGUWLRXQDC-DFBJGRDBSA-N 0 0 436.508 2.914 50 0 IFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCc1nc(Cc2ccccc2)no1 ZINC000524735041 569127896 /nfs/dbraw/zinc/12/78/96/569127896.db2.gz QDMINRAYPQGLSE-PZGSVQSZSA-N 0 0 446.507 2.819 50 0 IFAARN COc1ccc(-c2nccn3cc(C(=O)N4CCCN(c5ncccn5)CC4)nc23)cc1 ZINC000065274455 569128437 /nfs/dbraw/zinc/12/84/37/569128437.db2.gz HOXIKIIADSTSDN-UHFFFAOYSA-N 0 0 429.484 2.547 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2ccc(F)cc2F)CC3)CC1 ZINC000065273538 569129785 /nfs/dbraw/zinc/12/97/85/569129785.db2.gz DWCJMNOQRSLSMH-CQSZACIVSA-N 0 0 448.539 2.901 50 0 IFAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2cccs2)CC3)CC1 ZINC000065273677 569130001 /nfs/dbraw/zinc/13/00/01/569130001.db2.gz RJQJLPUTYGOCJP-HNNXBMFYSA-N 0 0 432.615 2.931 50 0 IFAARN Cc1scc2nc(C(=O)N3CCN(c4ccccn4)CC3)nc(N3CCSCC3)c12 ZINC000065283353 569130142 /nfs/dbraw/zinc/13/01/42/569130142.db2.gz JPITUWVIOMXGEP-UHFFFAOYSA-N 0 0 440.598 2.910 50 0 IFAARN Cc1scc2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)nc(N3CCOCC3)c12 ZINC000065283323 569130157 /nfs/dbraw/zinc/13/01/57/569130157.db2.gz WFDKFYMDVQZNSQ-UHFFFAOYSA-N 0 0 439.541 2.925 50 0 IFAARN CSc1nc2c(cnn2CCNC(=O)c2cc(-c3ccccc3)n[nH]2)c(N2CCCC2)n1 ZINC000036655534 569130300 /nfs/dbraw/zinc/13/03/00/569130300.db2.gz GVKXJFYWGHPLBO-UHFFFAOYSA-N 0 0 448.556 2.969 50 0 IFAARN CC[C@@]1(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C)CC2)CCN(C(=O)C(C)C)C1 ZINC000065292028 569130610 /nfs/dbraw/zinc/13/06/10/569130610.db2.gz CYPAFXZVDKDBFX-OAQYLSRUSA-N 0 0 442.025 2.992 50 0 IFAARN COCCn1c2ccccc2n2nc(C(=O)N3CCN(c4ccccc4C)CC3)cc2c1=O ZINC000065292474 569130705 /nfs/dbraw/zinc/13/07/05/569130705.db2.gz WCDLZQXQVNVODF-UHFFFAOYSA-N 0 0 445.523 2.566 50 0 IFAARN COc1cccc(C(=O)N2CCCN([C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000065293272 569130892 /nfs/dbraw/zinc/13/08/92/569130892.db2.gz VUJMGNIFRQLUTQ-QFIPXVFZSA-N 0 0 425.504 2.783 50 0 IFAARN Cc1cc(C)cc(NC(=O)Cn2ncc3c2ncnc3N2CCN(c3ccccn3)CC2)c1 ZINC000065295746 569131505 /nfs/dbraw/zinc/13/15/05/569131505.db2.gz DWNAZTANSMUOPM-UHFFFAOYSA-N 0 0 442.527 2.803 50 0 IFAARN Cc1cccc(C)c1NC(=O)Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1 ZINC000065295680 569131518 /nfs/dbraw/zinc/13/15/18/569131518.db2.gz FEGBPIVQIQJGLH-UHFFFAOYSA-N 0 0 442.527 2.803 50 0 IFAARN COc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)[C@@H]5CCCO5)CC4)nc32)cc1 ZINC000065296883 569131594 /nfs/dbraw/zinc/13/15/94/569131594.db2.gz YDRUHGPSFIHSNO-KRWDZBQOSA-N 0 0 427.530 2.627 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCCN2CCCCCC2=O)cc1 ZINC000036674322 569132257 /nfs/dbraw/zinc/13/22/57/569132257.db2.gz WNPJXIZEIUIJLE-HXUWFJFHSA-N 0 0 437.606 2.597 50 0 IFAARN CCOc1cccc2sc(N(Cc3cccnc3)C(=O)CN(C)S(C)(=O)=O)nc21 ZINC000036676094 569132370 /nfs/dbraw/zinc/13/23/70/569132370.db2.gz RQBBYTOMZBKIST-UHFFFAOYSA-N 0 0 434.543 2.515 50 0 IFAARN CSc1cccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)c1 ZINC000065305247 569133107 /nfs/dbraw/zinc/13/31/07/569133107.db2.gz WAWRJOJKTFQNRW-UHFFFAOYSA-N 0 0 443.554 2.889 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccc(CC)cc3)c(=O)n2c2ccsc2c1=O ZINC000065305302 569133211 /nfs/dbraw/zinc/13/32/11/569133211.db2.gz MHKOOXMVJLSAHL-UHFFFAOYSA-N 0 0 425.514 2.874 50 0 IFAARN CCc1cccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3Cc3ccco3)c2=O)c1 ZINC000065305525 569133273 /nfs/dbraw/zinc/13/32/73/569133273.db2.gz IWOVIGFRPXFGRG-UHFFFAOYSA-N 0 0 449.492 2.715 50 0 IFAARN CCCc1cc(N2CCN(C(=O)Cc3ccc(OC)c(Cl)c3)CC2)nc2nncn21 ZINC000065312105 569133600 /nfs/dbraw/zinc/13/36/00/569133600.db2.gz VIZNUTHOGUZMGC-UHFFFAOYSA-N 0 0 428.924 2.630 50 0 IFAARN CCCc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nc2nncn21 ZINC000065311982 569133604 /nfs/dbraw/zinc/13/36/04/569133604.db2.gz ZLOSWEVQCMUFKL-UHFFFAOYSA-N 0 0 429.322 2.802 50 0 IFAARN COc1ccc(CNC(=O)C2CCN(c3cnn(Cc4ccccc4)c(=O)c3)CC2)cc1 ZINC000065311489 569133761 /nfs/dbraw/zinc/13/37/61/569133761.db2.gz VKCYCTVSZVCRLI-UHFFFAOYSA-N 0 0 432.524 2.833 50 0 IFAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3cccc(OC)c3)nn2)CC1 ZINC000065315263 569133898 /nfs/dbraw/zinc/13/38/98/569133898.db2.gz IURQZFHLQZJPDL-UHFFFAOYSA-N 0 0 443.573 2.959 50 0 IFAARN Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)NCc1cccnc1 ZINC000065318905 569134481 /nfs/dbraw/zinc/13/44/81/569134481.db2.gz NVKIWWYZBWCEMN-UHFFFAOYSA-N 0 0 441.513 2.545 50 0 IFAARN Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)NCc1cccs1 ZINC000065318863 569134592 /nfs/dbraw/zinc/13/45/92/569134592.db2.gz YCAKEYOBSVKVMR-UHFFFAOYSA-N 0 0 432.527 2.821 50 0 IFAARN O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000036708278 569134989 /nfs/dbraw/zinc/13/49/89/569134989.db2.gz CWBRWNQTCBHMOH-UHFFFAOYSA-N 0 0 442.372 2.895 50 0 IFAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)c1OC ZINC000065312937 569135006 /nfs/dbraw/zinc/13/50/06/569135006.db2.gz JGJJEOZLVFFQPX-HNNXBMFYSA-N 0 0 429.908 2.933 50 0 IFAARN CCCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700183 569135117 /nfs/dbraw/zinc/13/51/17/569135117.db2.gz QGGUQWHFLNBNNG-OAQYLSRUSA-N 0 0 431.558 2.777 50 0 IFAARN O=C(NC1CCN(c2nnc3ccc(Cl)cn32)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000065313188 569135163 /nfs/dbraw/zinc/13/51/63/569135163.db2.gz BEAUJBNMGBAZMJ-UHFFFAOYSA-N 0 0 438.919 2.908 50 0 IFAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065313950 569135331 /nfs/dbraw/zinc/13/53/31/569135331.db2.gz YTXMLPFSMSVRTJ-GOSISDBHSA-N 0 0 432.480 2.875 50 0 IFAARN CN(CCc1ccccn1)C(=O)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314015 569135447 /nfs/dbraw/zinc/13/54/47/569135447.db2.gz XFTDNNUOJQVDDG-OAQYLSRUSA-N 0 0 431.540 2.604 50 0 IFAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)c1 ZINC000065314071 569135450 /nfs/dbraw/zinc/13/54/50/569135450.db2.gz ACPKTPZXDDQYTJ-OAQYLSRUSA-N 0 0 432.524 2.833 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)NC2CCCC2)CC1 ZINC000065314787 569135557 /nfs/dbraw/zinc/13/55/57/569135557.db2.gz PSZKVBXUBHOFLV-UHFFFAOYSA-N 0 0 447.601 2.790 50 0 IFAARN COc1ccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C)cc1 ZINC000065319790 569135948 /nfs/dbraw/zinc/13/59/48/569135948.db2.gz XLVVSVHJGVLTFF-UHFFFAOYSA-N 0 0 431.543 2.730 50 0 IFAARN COc1cc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)ccc1OCC(N)=O ZINC000065331225 569137194 /nfs/dbraw/zinc/13/71/94/569137194.db2.gz BDCXUAFTBPQQGS-OAHLLOKOSA-N 0 0 426.860 2.873 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncccc3Br)C2)cc1F ZINC000238874870 569137542 /nfs/dbraw/zinc/13/75/42/569137542.db2.gz NUEVMQBACDBQBB-LLVKDONJSA-N 0 0 431.283 2.834 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCN1Cc2cc(Cl)ccc2OCC1=O ZINC000238862345 569137729 /nfs/dbraw/zinc/13/77/29/569137729.db2.gz KYOVHHVQZVADOF-INIZCTEOSA-N 0 0 437.924 2.577 50 0 IFAARN C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H]2CCCC[C@H]12 ZINC000065497131 569138846 /nfs/dbraw/zinc/13/88/46/569138846.db2.gz IOGWZIOWWQYFPJ-QRQLOZEOSA-N 0 0 436.574 2.944 50 0 IFAARN C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@@H]2CCCC[C@H]12 ZINC000065497143 569138859 /nfs/dbraw/zinc/13/88/59/569138859.db2.gz IOGWZIOWWQYFPJ-BHIYHBOVSA-N 0 0 436.574 2.944 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)NCCSC3CCCC3)cc2)CC1 ZINC000065520880 569139012 /nfs/dbraw/zinc/13/90/12/569139012.db2.gz JENWOJVYYHVMMT-UHFFFAOYSA-N 0 0 440.635 2.810 50 0 IFAARN O=C([C@@H]1CSCN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)N1CCCC1 ZINC000065567859 569139820 /nfs/dbraw/zinc/13/98/20/569139820.db2.gz ZCURKJCPCUUDHD-LBPRGKRZSA-N 0 0 426.894 2.627 50 0 IFAARN O=C(/C=C/c1cc(Br)ccc1F)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000065603725 569140069 /nfs/dbraw/zinc/14/00/69/569140069.db2.gz REJWDFYGLPQYMO-BBOMDTFKSA-N 0 0 425.298 2.841 50 0 IFAARN CCCCCN(CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000037183504 569140707 /nfs/dbraw/zinc/14/07/07/569140707.db2.gz ZZMYHIRVXIGZSD-OKZBNKHCSA-N 0 0 435.613 2.856 50 0 IFAARN C[C@H](c1nnnn1-c1ccccc1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000170593425 569141281 /nfs/dbraw/zinc/14/12/81/569141281.db2.gz XFNQGVXODBOCNI-OFNKIYASSA-N 0 0 445.571 2.532 50 0 IFAARN O=C(NCc1ccc(CN2CCOCC2)o1)c1cccc(I)c1 ZINC000170595040 569141599 /nfs/dbraw/zinc/14/15/99/569141599.db2.gz HKLQYHGWGRKDJF-UHFFFAOYSA-N 0 0 426.254 2.646 50 0 IFAARN Cc1cc(Cl)c2ccccc2c1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000170596194 569141887 /nfs/dbraw/zinc/14/18/87/569141887.db2.gz QXJKRJZLXZRJHL-CYBMUJFWSA-N 0 0 433.917 2.906 50 0 IFAARN CCC1(CC)CN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)c(C)c2)C(C)C)CC[S@@]1=O ZINC000170597530 569142039 /nfs/dbraw/zinc/14/20/39/569142039.db2.gz QDGLQFZEMFPFIU-GDJIYFAZSA-N 0 0 442.647 2.756 50 0 IFAARN CCC1(CC)CN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)C(C)C)CC[S@]1=O ZINC000170597533 569142236 /nfs/dbraw/zinc/14/22/36/569142236.db2.gz QDGLQFZEMFPFIU-HMILPKGGSA-N 0 0 442.647 2.756 50 0 IFAARN COC(=O)CCc1cncc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 ZINC000170600369 569142811 /nfs/dbraw/zinc/14/28/11/569142811.db2.gz XRPZIYVBMRSVQH-UHFFFAOYSA-N 0 0 431.439 2.956 50 0 IFAARN CN(C)CCN(c1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000170602290 569143592 /nfs/dbraw/zinc/14/35/92/569143592.db2.gz YSNVWGGUCGRIRL-UHFFFAOYSA-N 0 0 436.477 2.737 50 0 IFAARN Cc1ccc(CNC(=O)c2nnc(CN[C@@H]3CCCC[C@H]3N3CCOCC3)s2)cc1 ZINC000170607322 569144172 /nfs/dbraw/zinc/14/41/72/569144172.db2.gz CANHCYARAAUXHR-RTBURBONSA-N 0 0 429.590 2.510 50 0 IFAARN COCCc1cc(Br)cc(Br)c1NC(=O)c1ccc(=O)n(C)n1 ZINC000170607570 569144218 /nfs/dbraw/zinc/14/42/18/569144218.db2.gz MHVHWTADABREOY-UHFFFAOYSA-N 0 0 445.111 2.747 50 0 IFAARN Cc1cc(C)n(-c2nnc(SCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)n2N)n1 ZINC000007530510 569145464 /nfs/dbraw/zinc/14/54/64/569145464.db2.gz GYFYOFHNRLWCSC-HILYYZTDSA-N 0 0 429.594 2.608 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@](C)(CC)[C@@H]3C2=O)cc1 ZINC000170612558 569146009 /nfs/dbraw/zinc/14/60/09/569146009.db2.gz XWCNBSANBFCENW-MRRFBWAASA-N 0 0 432.523 2.945 50 0 IFAARN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N[C@H]2Cc3cccc(O)c3C2)c(C)c1C ZINC000170613625 569146261 /nfs/dbraw/zinc/14/62/61/569146261.db2.gz YEXWTKRTWFCJOU-IBGZPJMESA-N 0 0 430.570 2.886 50 0 IFAARN CCOc1ccc(C(=O)NCCc2csc(NC(=O)c3ccc(OCC)nc3)n2)cn1 ZINC000170615891 569146598 /nfs/dbraw/zinc/14/65/98/569146598.db2.gz IZCOGJCQBTYHPZ-UHFFFAOYSA-N 0 0 441.513 2.955 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)C[C@H](O)C4)CC2)cc1C ZINC000170618101 569147012 /nfs/dbraw/zinc/14/70/12/569147012.db2.gz MGMQUITYGWOQSS-OAQYLSRUSA-N 0 0 428.554 2.802 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4[nH]ccc4c3)C2=O)cc1OC ZINC000170625580 569148474 /nfs/dbraw/zinc/14/84/74/569148474.db2.gz FTLCFDTVKXZKJT-SFHVURJKSA-N 0 0 436.468 2.677 50 0 IFAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-n2nnc(C(=O)NC3CC3)n2)cc1 ZINC000071000914 569149232 /nfs/dbraw/zinc/14/92/32/569149232.db2.gz USENHTWFYFCYFH-UHFFFAOYSA-N 0 0 447.282 2.879 50 0 IFAARN Cc1cccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1 ZINC000009869291 569149318 /nfs/dbraw/zinc/14/93/18/569149318.db2.gz YWLYSZQCQFALGJ-UHFFFAOYSA-N 0 0 437.949 2.743 50 0 IFAARN CC1(C)Cc2cccc(OCC(=O)OCC(=O)Nc3ccccc3C(=O)NC3CC3)c2O1 ZINC000009882253 569149493 /nfs/dbraw/zinc/14/94/93/569149493.db2.gz WSIYAGOVYLZPGB-UHFFFAOYSA-N 0 0 438.480 2.853 50 0 IFAARN Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000009882835 569149748 /nfs/dbraw/zinc/14/97/48/569149748.db2.gz UNUVOTWCJSZFFM-CYBMUJFWSA-N 0 0 431.543 2.573 50 0 IFAARN CCSc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)s1 ZINC000009882824 569149804 /nfs/dbraw/zinc/14/98/04/569149804.db2.gz SVZWVZZKMUJFRC-UHFFFAOYSA-N 0 0 432.618 2.940 50 0 IFAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000009883178 569149897 /nfs/dbraw/zinc/14/98/97/569149897.db2.gz BTZIVNZTASBIRG-OAHLLOKOSA-N 0 0 428.470 2.563 50 0 IFAARN NC(=O)COc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC000009883719 569150146 /nfs/dbraw/zinc/15/01/46/569150146.db2.gz FAFYGRORHVXMRI-UHFFFAOYSA-N 0 0 443.456 2.743 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1 ZINC000009884137 569150227 /nfs/dbraw/zinc/15/02/27/569150227.db2.gz UDFFTXHGYAEKQV-UHFFFAOYSA-N 0 0 435.509 2.891 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccncc3)n1C)CCC2 ZINC000009884114 569150240 /nfs/dbraw/zinc/15/02/40/569150240.db2.gz XCMIHZKXLHEAHI-UHFFFAOYSA-N 0 0 429.527 2.945 50 0 IFAARN CCOC(=O)C[C@H](c1c(C)nn(Cc2ccccc2)c1C)c1oc(CO)cc(=O)c1O ZINC000071286045 569150923 /nfs/dbraw/zinc/15/09/23/569150923.db2.gz BVJBITFNSZNKNP-GOSISDBHSA-N 0 0 426.469 2.784 50 0 IFAARN CCOC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(CO)cc(=O)c1O ZINC000071286561 569150932 /nfs/dbraw/zinc/15/09/32/569150932.db2.gz BAVBYJCEHPMIPK-MRXNPFEDSA-N 0 0 442.420 2.969 50 0 IFAARN COc1cc2c(=O)n(CCO)c(=O)n(Cc3ccc(Cl)cc3Cl)c2cc1OC ZINC000071282673 569151008 /nfs/dbraw/zinc/15/10/08/569151008.db2.gz YUVFDOUKBLCZBR-UHFFFAOYSA-N 0 0 425.268 2.528 50 0 IFAARN COc1ccc(-c2noc(CCCCCNC(=O)c3ccc(-n4cnnn4)cc3)n2)cc1 ZINC000009996210 569151431 /nfs/dbraw/zinc/15/14/31/569151431.db2.gz BMCQDLFVHBDLSO-UHFFFAOYSA-N 0 0 433.472 2.864 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1NC(=O)c1ccccc1F ZINC000010060012 569152262 /nfs/dbraw/zinc/15/22/62/569152262.db2.gz JOWNRDZDDGYWHI-UHFFFAOYSA-N 0 0 443.456 2.986 50 0 IFAARN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)CC(C)(C)C1 ZINC000010219682 569153819 /nfs/dbraw/zinc/15/38/19/569153819.db2.gz WWDUYCDOJXDBMC-LSDHHAIUSA-N 0 0 444.557 2.570 50 0 IFAARN Cc1ccc(-c2nc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)n[nH]2)cc1 ZINC000010219824 569153853 /nfs/dbraw/zinc/15/38/53/569153853.db2.gz RBICHXKGKNETDU-KRWDZBQOSA-N 0 0 434.587 2.831 50 0 IFAARN O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)Nc1ccc2c(c1)OCO2 ZINC000010255454 569154065 /nfs/dbraw/zinc/15/40/65/569154065.db2.gz QALSSMZHHFUODO-HNNXBMFYSA-N 0 0 443.525 2.761 50 0 IFAARN O=C(CNC(=O)c1cnc2ccccc2c1O)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000071824278 569154697 /nfs/dbraw/zinc/15/46/97/569154697.db2.gz UYRDIGCCJNYEJZ-QHCPKHFHSA-N 0 0 426.476 2.691 50 0 IFAARN COc1ccc(C2(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)CCOCC2)cc1 ZINC000071823550 569154769 /nfs/dbraw/zinc/15/47/69/569154769.db2.gz CADGRVNWIRDJND-ZJOUEHCJSA-N 0 0 447.601 2.585 50 0 IFAARN CCc1nnc(SCC(=O)Nc2ccc(Br)cn2)n1C[C@H]1CCCO1 ZINC000013322495 569155031 /nfs/dbraw/zinc/15/50/31/569155031.db2.gz WSXXPZYPHVRMLO-GFCCVEGCSA-N 0 0 426.340 2.908 50 0 IFAARN COc1cc(OC)cc(C(=O)NCCOc2ccc3nnc(-c4ccccc4OC)n3n2)c1 ZINC000013525840 569155483 /nfs/dbraw/zinc/15/54/83/569155483.db2.gz IOPOFOJUZXIFRE-UHFFFAOYSA-N 0 0 449.467 2.626 50 0 IFAARN O=C(Nc1nnc(Cc2cccs2)o1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000013653624 569156377 /nfs/dbraw/zinc/15/63/77/569156377.db2.gz QFOJXILYMVITMV-AWEZNQCLSA-N 0 0 432.527 2.761 50 0 IFAARN COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@H]2CCCO2)CC3)cc1 ZINC000013696834 569156600 /nfs/dbraw/zinc/15/66/00/569156600.db2.gz YCRCUFCCLVXZDW-OAQYLSRUSA-N 0 0 430.526 2.748 50 0 IFAARN C[C@@H]1Oc2ccccc2C=C1/C=c1\sc2nc(=O)c(Cc3ccc(F)cc3)nn2c1=O ZINC000013777289 569156888 /nfs/dbraw/zinc/15/68/88/569156888.db2.gz DBVSCMFKXBONLB-RQZLXBNYSA-N 0 0 433.464 2.605 50 0 IFAARN CC(=O)N[C@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc2ccccc2c1 ZINC000250763596 569157418 /nfs/dbraw/zinc/15/74/18/569157418.db2.gz XCMZMJFBJIDKSB-WEJAWSEMSA-N 0 0 435.476 2.923 50 0 IFAARN O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)Nc1ccc(Cl)cc1 ZINC000013964118 569157437 /nfs/dbraw/zinc/15/74/37/569157437.db2.gz ZGFQITXRNQFQIG-UHFFFAOYSA-N 0 0 426.885 2.960 50 0 IFAARN O=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000013950062 569157457 /nfs/dbraw/zinc/15/74/57/569157457.db2.gz PIZDSLPKZHMXQM-UHFFFAOYSA-N 0 0 449.381 2.830 50 0 IFAARN COc1cc(CCC2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc(OC)c1 ZINC000014100997 569157808 /nfs/dbraw/zinc/15/78/08/569157808.db2.gz IWAYFHYMWMAXHT-UHFFFAOYSA-N 0 0 432.542 2.836 50 0 IFAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000014105503 569157830 /nfs/dbraw/zinc/15/78/30/569157830.db2.gz GNROZOWMCLSMLM-UHFFFAOYSA-N 0 0 443.447 2.680 50 0 IFAARN COc1ccc(C(=O)O[C@@H](C(N)=O)c2ccccc2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000014324363 569158664 /nfs/dbraw/zinc/15/86/64/569158664.db2.gz ZCOQDXZIWRAMDU-MGPUTAFESA-N 0 0 446.525 2.642 50 0 IFAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c32)cc1 ZINC000014417885 569158982 /nfs/dbraw/zinc/15/89/82/569158982.db2.gz PTLUZDOHSQQXEI-LBPRGKRZSA-N 0 0 444.513 2.974 50 0 IFAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000014423221 569159046 /nfs/dbraw/zinc/15/90/46/569159046.db2.gz WSJYGYDMSPLQBN-UHFFFAOYSA-N 0 0 443.569 2.675 50 0 IFAARN Cc1cc(C(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)ccc1S(N)(=O)=O ZINC000089591280 569159720 /nfs/dbraw/zinc/15/97/20/569159720.db2.gz SVEXLVDBMAKQEN-INIZCTEOSA-N 0 0 448.545 2.856 50 0 IFAARN Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NC(=O)c2ccc(OCC3CC3)cc2)c1 ZINC000089702536 569161800 /nfs/dbraw/zinc/16/18/00/569161800.db2.gz GWMVQGUZEXPEGG-UHFFFAOYSA-N 0 0 426.498 2.869 50 0 IFAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCc1ncc(C)cn1 ZINC000089702263 569161812 /nfs/dbraw/zinc/16/18/12/569161812.db2.gz NLKLRNVDRNNJRX-UHFFFAOYSA-N 0 0 430.464 2.562 50 0 IFAARN O=C(COc1ccc(F)cc1Br)NC1CCC(N2C(=O)CCC2=O)CC1 ZINC000089768444 569162534 /nfs/dbraw/zinc/16/25/34/569162534.db2.gz SBYSUALBKIIQQR-UHFFFAOYSA-N 0 0 427.270 2.543 50 0 IFAARN CC(C)n1c2nnc(-c3ccc(OCc4ccccc4)cc3)n2c2c1c(=O)[nH]c(=O)n2C ZINC000016838074 569162713 /nfs/dbraw/zinc/16/27/13/569162713.db2.gz QOXHALITWDCHJP-UHFFFAOYSA-N 0 0 430.468 2.898 50 0 IFAARN O=C(COC(=O)c1ccc(Cl)cc1O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000089780748 569162885 /nfs/dbraw/zinc/16/28/85/569162885.db2.gz AYUBCSSHYNJSGV-UHFFFAOYSA-N 0 0 438.889 2.626 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncn(Cc2nc(-c4cccc(C)c4)no2)c3=O)cc1 ZINC000016843407 569163542 /nfs/dbraw/zinc/16/35/42/569163542.db2.gz ICEXMSXMHYDRIT-UHFFFAOYSA-N 0 0 429.440 2.783 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CSc1n[nH]c(=O)c2cc(-c3ccco3)nn21 ZINC000016843756 569163658 /nfs/dbraw/zinc/16/36/58/569163658.db2.gz GAOOAOZRDKIDFO-UHFFFAOYSA-N 0 0 439.453 2.585 50 0 IFAARN COC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000016850590 569164734 /nfs/dbraw/zinc/16/47/34/569164734.db2.gz WVGKBHWDKMPTKZ-INIZCTEOSA-N 0 0 442.497 2.511 50 0 IFAARN CS(=O)(=O)c1ccc(Nc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1 ZINC000016850446 569164742 /nfs/dbraw/zinc/16/47/42/569164742.db2.gz FNOAYBNKLWKUBC-UHFFFAOYSA-N 0 0 430.511 2.570 50 0 IFAARN O=C(Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)NCc1ccc2c(c1)OCO2 ZINC000016851319 569164963 /nfs/dbraw/zinc/16/49/63/569164963.db2.gz MRVWFYCOMJXCHZ-UHFFFAOYSA-N 0 0 427.457 2.789 50 0 IFAARN O=C(NCC1([C@@H](O)c2ccccc2)CC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000089825929 569165246 /nfs/dbraw/zinc/16/52/46/569165246.db2.gz HPAOSJQSWJRRTP-RTWAWAEBSA-N 0 0 428.554 2.860 50 0 IFAARN O=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)NC(c1ccccc1)c1ccccc1 ZINC000089827641 569165385 /nfs/dbraw/zinc/16/53/85/569165385.db2.gz VPVNNXJQTBQWHZ-UHFFFAOYSA-N 0 0 449.507 2.690 50 0 IFAARN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000089878923 569166570 /nfs/dbraw/zinc/16/65/70/569166570.db2.gz UCESOWYGAHUVNG-MRXNPFEDSA-N 0 0 446.429 2.872 50 0 IFAARN COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc1 ZINC000089914320 569167480 /nfs/dbraw/zinc/16/74/80/569167480.db2.gz GTHBBDNETIZNGN-VWLOTQADSA-N 0 0 447.491 2.940 50 0 IFAARN COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2F)cc1 ZINC000016955079 569167578 /nfs/dbraw/zinc/16/75/78/569167578.db2.gz OIEPBYAMXHOASB-UHFFFAOYSA-N 0 0 439.472 2.675 50 0 IFAARN COc1ccc(S(=O)(=O)n2nc(OC(=O)c3c(F)cccc3Cl)cc2N)cc1 ZINC000016954616 569167661 /nfs/dbraw/zinc/16/76/61/569167661.db2.gz PRLJCWIZDLTELN-UHFFFAOYSA-N 0 0 425.825 2.723 50 0 IFAARN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 ZINC000089920248 569167772 /nfs/dbraw/zinc/16/77/72/569167772.db2.gz BXJPPZDPPCJCCF-ROUUACIJSA-N 0 0 444.553 2.826 50 0 IFAARN COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccc(F)cc2)c1 ZINC000016960676 569168197 /nfs/dbraw/zinc/16/81/97/569168197.db2.gz ZHJGILKFQSDCRQ-UHFFFAOYSA-N 0 0 439.472 2.675 50 0 IFAARN O=C(c1cccc(Br)c1)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000016964256 569168213 /nfs/dbraw/zinc/16/82/13/569168213.db2.gz ABVZMWKBIIVSNQ-GOSISDBHSA-N 0 0 431.286 2.716 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n([C@H](C)c2ccccc2)c1=O ZINC000016972474 569168581 /nfs/dbraw/zinc/16/85/81/569168581.db2.gz CXGJFWDEGVAWEI-LRTDBIEQSA-N 0 0 432.480 2.577 50 0 IFAARN CCCC[C@H](NC(=O)NCC)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000089950148 569168643 /nfs/dbraw/zinc/16/86/43/569168643.db2.gz DPGNDMUJCWSGSK-SFHVURJKSA-N 0 0 431.533 2.757 50 0 IFAARN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2ccc3ccc(=O)oc3c2)cc1F ZINC000089960394 569169058 /nfs/dbraw/zinc/16/90/58/569169058.db2.gz NTSKNKJYISTRCN-UHFFFAOYSA-N 0 0 441.458 2.852 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000089969034 569169442 /nfs/dbraw/zinc/16/94/42/569169442.db2.gz NRNXRCOMKGGRJJ-DYESRHJHSA-N 0 0 447.601 2.641 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccccc2F)c2ccco2)cc1 ZINC000017043284 569171351 /nfs/dbraw/zinc/17/13/51/569171351.db2.gz QIZZDWNYLBRPPU-FQEVSTJZSA-N 0 0 444.484 2.675 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2ccccc2)c2ccco2)cc1 ZINC000017043245 569171405 /nfs/dbraw/zinc/17/14/05/569171405.db2.gz MQTHDXHSKKKRCU-HXUWFJFHSA-N 0 0 426.494 2.536 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)c1cccc(S(C)(=O)=O)c1)CN(C(C)C)CC2 ZINC000017113382 569174134 /nfs/dbraw/zinc/17/41/34/569174134.db2.gz ZUJQWZJVYIWLEW-UHFFFAOYSA-N 0 0 436.555 2.957 50 0 IFAARN CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(CCc3ccccc3)CC2)s1 ZINC000017198235 569176037 /nfs/dbraw/zinc/17/60/37/569176037.db2.gz YMXSRSAVBVOOCH-UHFFFAOYSA-N 0 0 429.590 2.842 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 ZINC000000814613 569176270 /nfs/dbraw/zinc/17/62/70/569176270.db2.gz ZCAPRLMQUVSFTG-UHFFFAOYSA-N 0 0 446.569 2.772 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000001050872 569176417 /nfs/dbraw/zinc/17/64/17/569176417.db2.gz OXDLFWAYHCVHBX-UHFFFAOYSA-N 0 0 446.525 2.814 50 0 IFAARN CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000170636595 569178121 /nfs/dbraw/zinc/17/81/21/569178121.db2.gz MKLVKBUBLCQRRR-JLZZUVOBSA-N 0 0 427.314 2.980 50 0 IFAARN C[C@@H]1COC[C@H](C)N1C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC000170636738 569178340 /nfs/dbraw/zinc/17/83/40/569178340.db2.gz RLSBMCKAFAYHTD-AOOOYVTPSA-N 0 0 428.308 2.929 50 0 IFAARN COc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCCC3)cc1 ZINC000006924803 569178524 /nfs/dbraw/zinc/17/85/24/569178524.db2.gz GPFDSPMUBJMLOV-AWEZNQCLSA-N 0 0 448.566 2.805 50 0 IFAARN CC(C)c1ccc(-c2nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc3nn(C)c(N)c32)cc1 ZINC000037360878 569181561 /nfs/dbraw/zinc/18/15/61/569181561.db2.gz NPRBAOXAGPSWOT-GOSISDBHSA-N 0 0 449.559 2.564 50 0 IFAARN COc1cc2c(cc1OC)-c1cc(N(C(C)=O)c3ccc4c(c3)OCCO4)nc(=O)n1CC2 ZINC000002127749 569184160 /nfs/dbraw/zinc/18/41/60/569184160.db2.gz SHTSKUVELQSLMU-UHFFFAOYSA-N 0 0 449.463 2.939 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc4c(c3)OCO4)c(=O)c2[C@@H]1c1ccccc1 ZINC000002128941 569184286 /nfs/dbraw/zinc/18/42/86/569184286.db2.gz LIKQGZXEHPKEQX-FQEVSTJZSA-N 0 0 446.459 2.801 50 0 IFAARN COc1cccc(-c2nc(NCCN3CCOCC3)nc3nn(-c4ccccc4)c(N)c32)c1 ZINC000037375864 569185463 /nfs/dbraw/zinc/18/54/63/569185463.db2.gz DIOMVAXBRDCNSG-UHFFFAOYSA-N 0 0 445.527 2.817 50 0 IFAARN O=C1COC(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1 ZINC000252481614 569186446 /nfs/dbraw/zinc/18/64/46/569186446.db2.gz CPDFYNOECRMJNM-UHFFFAOYSA-N 0 0 440.399 2.724 50 0 IFAARN CC[C@H](C)[C@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000252484648 569186599 /nfs/dbraw/zinc/18/65/99/569186599.db2.gz GCNJGALYGGLTRY-XCRHUMRWSA-N 0 0 439.965 2.700 50 0 IFAARN CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccc(F)c(F)c1 ZINC000002147072 569186961 /nfs/dbraw/zinc/18/69/61/569186961.db2.gz MGDJTRLJKJFOTF-WIEQDCTASA-N 0 0 444.482 2.919 50 0 IFAARN COc1ccc(-c2nnc(CN3CCN(C(=O)COc4cc(C)cc(C)c4)CC3)n2C)cc1 ZINC000252500777 569188037 /nfs/dbraw/zinc/18/80/37/569188037.db2.gz TVGJLGBVSIIHAA-UHFFFAOYSA-N 0 0 449.555 2.831 50 0 IFAARN CSCC[C@@H](C(=O)NCCc1nc2ccccc2[nH]1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524735724 569188728 /nfs/dbraw/zinc/18/87/28/569188728.db2.gz UPYPEIPDSFDZRC-SFHVURJKSA-N 0 0 437.525 2.632 50 0 IFAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000252523123 569189614 /nfs/dbraw/zinc/18/96/14/569189614.db2.gz BXKPNTSNIZNCMP-RTBURBONSA-N 0 0 427.888 2.955 50 0 IFAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)N[C@H](CC(C)C)C(=O)OC)C12CCCC2 ZINC000252536726 569189911 /nfs/dbraw/zinc/18/99/11/569189911.db2.gz JHODNIULTFJTHY-UXHICEINSA-N 0 0 430.545 2.889 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N2CCc3ccccc3C2)c1 ZINC000027339336 569190637 /nfs/dbraw/zinc/19/06/37/569190637.db2.gz LJGPCTGORUSVOE-UHFFFAOYSA-N 0 0 445.585 2.974 50 0 IFAARN CCOc1ccc2nc(COC(=O)c3ccc(OC)c(OC)c3)c(C(C)=O)[n+]([O-])c2c1 ZINC000002208943 569194069 /nfs/dbraw/zinc/19/40/69/569194069.db2.gz YDICRSZJGZAQQD-UHFFFAOYSA-N 0 0 426.425 2.844 50 0 IFAARN CCS(=O)(=O)N1CCN(c2nc(C)nc(COC)c2Cc2cc(C)ccc2C)CC1 ZINC000037398967 569194168 /nfs/dbraw/zinc/19/41/68/569194168.db2.gz MZKPSZICKGZTAT-UHFFFAOYSA-N 0 0 432.590 2.611 50 0 IFAARN CC[C@H](C)NC(=O)Cn1c2cc(Cl)ccc2c(=O)n(-c2ccc(C(C)=O)cc2)c1=O ZINC000037399456 569194585 /nfs/dbraw/zinc/19/45/85/569194585.db2.gz DSYWQSHYFUKBRO-ZDUSSCGKSA-N 0 0 427.888 2.923 50 0 IFAARN COCC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(OC)cc2)c1)C[C@@H]1CCCO1 ZINC000037400924 569195061 /nfs/dbraw/zinc/19/50/61/569195061.db2.gz ISXBOBDLDSTARS-FQEVSTJZSA-N 0 0 449.525 2.617 50 0 IFAARN O=C(CNC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1)NC[C@@H]1CCCO1 ZINC000037425937 569195688 /nfs/dbraw/zinc/19/56/88/569195688.db2.gz ZJVDOTSNVPYYBB-ZDUSSCGKSA-N 0 0 428.436 2.931 50 0 IFAARN COc1ccc(C(=O)/N=c2\sc(C)cn2[C@@H](C)C(=O)NCc2ccccn2)cc1OC ZINC000037436798 569196210 /nfs/dbraw/zinc/19/62/10/569196210.db2.gz DPAMVJITNPJIKM-APDGPGDQSA-N 0 0 440.525 2.889 50 0 IFAARN COc1ccc(C(=O)/N=c2\sc(C)cn2[C@H](C)C(=O)NCc2ccccn2)cc1OC ZINC000037436801 569196269 /nfs/dbraw/zinc/19/62/69/569196269.db2.gz DPAMVJITNPJIKM-AKURBMMKSA-N 0 0 440.525 2.889 50 0 IFAARN COCCN(CCC(=O)N1CCCC1)C(=O)c1csc(Nc2ccccc2OC)n1 ZINC000037437822 569196359 /nfs/dbraw/zinc/19/63/59/569196359.db2.gz WLLYYJKWCYNDRD-UHFFFAOYSA-N 0 0 432.546 2.996 50 0 IFAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000037524883 569198755 /nfs/dbraw/zinc/19/87/55/569198755.db2.gz QOAOTZJOPPAYAC-UHFFFAOYSA-N 0 0 429.467 2.836 50 0 IFAARN CCS(=O)(=O)N1CCN(c2nc3ccccc3c3nnc(-c4cccc(C)c4)n32)CC1 ZINC000037554836 569200487 /nfs/dbraw/zinc/20/04/87/569200487.db2.gz QEFZRYRHEWOZPX-UHFFFAOYSA-N 0 0 436.541 2.725 50 0 IFAARN COc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000037574060 569201201 /nfs/dbraw/zinc/20/12/01/569201201.db2.gz ZXPXKULIXMFRGY-UHFFFAOYSA-N 0 0 439.516 2.504 50 0 IFAARN COC(=O)Cn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2)c1=O)CC(C)(C)OC3 ZINC000002212244 569201714 /nfs/dbraw/zinc/20/17/14/569201714.db2.gz VNILHJOUWAXVOG-UHFFFAOYSA-N 0 0 434.901 2.892 50 0 IFAARN O=C(c1cccc(F)c1)N1CCc2nc(N3CCCCC3)nc(N3CCOCC3)c2C1 ZINC000037580657 569202007 /nfs/dbraw/zinc/20/20/07/569202007.db2.gz PDRLMDNAYZJCDQ-UHFFFAOYSA-N 0 0 425.508 2.641 50 0 IFAARN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccncc4)c(=O)n32)c1 ZINC000252623996 569202620 /nfs/dbraw/zinc/20/26/20/569202620.db2.gz PDYHPNBIOPMYRX-NRFANRHFSA-N 0 0 449.532 2.590 50 0 IFAARN CC(=O)N[C@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1cccc2ccccc21 ZINC000241719789 569203597 /nfs/dbraw/zinc/20/35/97/569203597.db2.gz QPPZFMUEXZZDBD-WEJAWSEMSA-N 0 0 435.476 2.923 50 0 IFAARN O=C(c1ccccc1)N1CCC(c2nc3c(nnn3Cc3cccc(F)c3)c(=O)[nH]2)CC1 ZINC000001355282 569212354 /nfs/dbraw/zinc/21/23/54/569212354.db2.gz HSAMIJGNJGWPRY-UHFFFAOYSA-N 0 0 432.459 2.722 50 0 IFAARN COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 ZINC000019891984 569256985 /nfs/dbraw/zinc/25/69/85/569256985.db2.gz SEVVRRRLBPTNBY-NHCUHLMSSA-N 0 0 442.512 2.934 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc(C)s2)c1 ZINC000024669036 569257436 /nfs/dbraw/zinc/25/74/36/569257436.db2.gz CIPFCKOHTXBKCU-UHFFFAOYSA-N 0 0 430.577 2.616 50 0 IFAARN COc1cc([C@@H]2c3cc4c(cc3O[C@@](C)(O)[C@H]2C(C)=O)OCO4)cc(OC)c1OC(C)=O ZINC000039315034 569257720 /nfs/dbraw/zinc/25/77/20/569257720.db2.gz JAVOWJHRXAWIGR-FUPPJEDESA-N 0 0 444.436 2.796 50 0 IFAARN O=C(Nc1nccs1)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000253370314 569264172 /nfs/dbraw/zinc/26/41/72/569264172.db2.gz PGUJAMLMEJPJMF-IMJJTQAJSA-N 0 0 449.554 2.875 50 0 IFAARN COCCN1C(=O)CN(C2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)C1=O ZINC000253399951 569264828 /nfs/dbraw/zinc/26/48/28/569264828.db2.gz KDUJONBKPLSCJR-UHFFFAOYSA-N 0 0 449.507 2.826 50 0 IFAARN CC(=O)Nc1cccc(N2C(=O)N[C@@H](CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 ZINC000253410740 569265706 /nfs/dbraw/zinc/26/57/06/569265706.db2.gz NRNVCJJIGAFVPN-NRFANRHFSA-N 0 0 447.495 2.690 50 0 IFAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3ncc[nH]3)[C@@H]21 ZINC000253413316 569266014 /nfs/dbraw/zinc/26/60/14/569266014.db2.gz ULVQQFWVSXICRX-HXUWFJFHSA-N 0 0 447.451 2.571 50 0 IFAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000253417221 569266541 /nfs/dbraw/zinc/26/65/41/569266541.db2.gz NWIYNSDJAWCBFM-WBVHZDCISA-N 0 0 440.562 2.636 50 0 IFAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000253417220 569266598 /nfs/dbraw/zinc/26/65/98/569266598.db2.gz NWIYNSDJAWCBFM-RDJZCZTQSA-N 0 0 440.562 2.636 50 0 IFAARN NC(=O)c1ccc(N2CCC(C(=O)N3CCn4cccc4[C@@H]3c3ccccc3)CC2)nc1 ZINC000253419394 569266649 /nfs/dbraw/zinc/26/66/49/569266649.db2.gz MRMHUSOTTDSACP-QHCPKHFHSA-N 0 0 429.524 2.830 50 0 IFAARN C[C@H](NC(=O)C[C@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1)[C@H](C)N1CCOCC1 ZINC000253420122 569266781 /nfs/dbraw/zinc/26/67/81/569266781.db2.gz FWAPOQRISJRFJB-TWOQFEAHSA-N 0 0 444.403 2.982 50 0 IFAARN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc(F)c(-c3nnc[nH]3)c2)cc1 ZINC000253419758 569266834 /nfs/dbraw/zinc/26/68/34/569266834.db2.gz CHWBJDPNOPQGAJ-UHFFFAOYSA-N 0 0 443.382 2.704 50 0 IFAARN C[C@H](NC(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1)[C@H](C)N1CCOCC1 ZINC000253420118 569266847 /nfs/dbraw/zinc/26/68/47/569266847.db2.gz FWAPOQRISJRFJB-FTRWYGJKSA-N 0 0 444.403 2.982 50 0 IFAARN NC(=O)CNC(=O)Nc1cccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)c1 ZINC000253425142 569267231 /nfs/dbraw/zinc/26/72/31/569267231.db2.gz BAEYKZYVNOBGDS-UHFFFAOYSA-N 0 0 430.262 2.790 50 0 IFAARN CCOc1ccc2nc(NC(=N)NS(=O)(=O)c3ccc(NC(C)=O)cc3)nc(C)c2c1 ZINC000002291350 569268006 /nfs/dbraw/zinc/26/80/06/569268006.db2.gz NOLPDHMMZTVWKR-UHFFFAOYSA-N 0 0 442.501 2.620 50 0 IFAARN C[C@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(N)=O)n32)C1 ZINC000002293872 569268148 /nfs/dbraw/zinc/26/81/48/569268148.db2.gz ZXFCYJVZJFWIBP-NSHDSACASA-N 0 0 425.539 2.797 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000253433151 569269343 /nfs/dbraw/zinc/26/93/43/569269343.db2.gz SRZAXRNLYUEWLQ-DBVUQKKJSA-N 0 0 428.552 2.616 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000002305426 569271736 /nfs/dbraw/zinc/27/17/36/569271736.db2.gz DUBSORMYUKZIFB-SQWSFHKJSA-N 0 0 438.505 2.708 50 0 IFAARN NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000027550999 569272034 /nfs/dbraw/zinc/27/20/34/569272034.db2.gz VGURFPNLANBKEQ-UHFFFAOYSA-N 0 0 445.928 2.926 50 0 IFAARN Cn1c2nc(N3CCCCCC3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000002322662 569274200 /nfs/dbraw/zinc/27/42/00/569274200.db2.gz JHBMZWOUJZJJIL-UHFFFAOYSA-N 0 0 446.349 2.625 50 0 IFAARN Cc1cc(OC2CN(C(=O)c3cn(C)c(=O)cc3-c3ccsc3)C2)cc(=O)n1C1CC1 ZINC000253473672 569282905 /nfs/dbraw/zinc/28/29/05/569282905.db2.gz XBGYZWWGVAQQIL-UHFFFAOYSA-N 0 0 437.521 2.822 50 0 IFAARN COc1cc(-c2cc(C(=O)N[C@H](Cn3nccn3)c3ccccc3)[nH]n2)cc(OC)c1OC ZINC000253473278 569282944 /nfs/dbraw/zinc/28/29/44/569282944.db2.gz TYSBJITWQVRAMK-LJQANCHMSA-N 0 0 448.483 2.865 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 ZINC000253487505 569283042 /nfs/dbraw/zinc/28/30/42/569283042.db2.gz LETHFPKVHTZPFC-WCIQWLHISA-N 0 0 435.867 2.946 50 0 IFAARN COc1cc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc(OC)c1OC ZINC000002376224 569289404 /nfs/dbraw/zinc/28/94/04/569289404.db2.gz GIWKCZNKBSLHFI-UHFFFAOYSA-N 0 0 433.465 2.555 50 0 IFAARN COc1cc(-c2nc3s/c(=C\C4=Cc5ccccc5OC4)c(=O)n3n2)cc(OC)c1OC ZINC000002386419 569295094 /nfs/dbraw/zinc/29/50/94/569295094.db2.gz NYKSYFDEPMCZDC-OCKHKDLRSA-N 0 0 449.488 2.819 50 0 IFAARN COc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc2c1OCCO2 ZINC000009882459 569298342 /nfs/dbraw/zinc/29/83/42/569298342.db2.gz PGHBLKVRUSRNOY-RUDMXATFSA-N 0 0 444.509 2.903 50 0 IFAARN O=C1Nc2c(cccc2Cl)[C@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000002403113 569299756 /nfs/dbraw/zinc/29/97/56/569299756.db2.gz OJSCANUVCDCQSX-GEYWLOKFSA-N 0 0 425.847 2.910 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCCc3ccccc32)cc1OC ZINC000011859858 569303110 /nfs/dbraw/zinc/30/31/10/569303110.db2.gz UJGFMRZVYYPYIA-LJQANCHMSA-N 0 0 430.526 2.836 50 0 IFAARN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3C[C@H](C)C(=O)C[C@H]3C)c21 ZINC000002446349 569304412 /nfs/dbraw/zinc/30/44/12/569304412.db2.gz ZXPNTKNDRGETDK-UONOGXRCSA-N 0 0 429.517 2.910 50 0 IFAARN O=C(CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3)N1CCCCC1 ZINC000002447641 569304514 /nfs/dbraw/zinc/30/45/14/569304514.db2.gz FCDYPCQZORQMSF-UHFFFAOYSA-N 0 0 427.559 2.873 50 0 IFAARN CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F ZINC000055341218 569305052 /nfs/dbraw/zinc/30/50/52/569305052.db2.gz BVEZTHXNZSSIEE-FQEVSTJZSA-N 0 0 444.457 2.934 50 0 IFAARN Cc1ccc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1 ZINC000012986955 569305861 /nfs/dbraw/zinc/30/58/61/569305861.db2.gz CURFYWCMGNTXFT-PDGQHHTCSA-N 0 0 441.484 2.717 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)N1CCC(C)CC1 ZINC000012991226 569305979 /nfs/dbraw/zinc/30/59/79/569305979.db2.gz WQWZDSBOCTYZAO-CRAIPNDOSA-N 0 0 444.981 2.833 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccc(F)cc4)o3)CC2)c(C)c1 ZINC000013030258 569307468 /nfs/dbraw/zinc/30/74/68/569307468.db2.gz PGKKRMFVEBZKDX-UHFFFAOYSA-N 0 0 430.505 2.999 50 0 IFAARN COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC(F)F ZINC000013041845 569308293 /nfs/dbraw/zinc/30/82/93/569308293.db2.gz IHEVVAMAJZNQFP-UHFFFAOYSA-N 0 0 440.468 2.752 50 0 IFAARN Cc1nn(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(=S)n1-c1ccccc1 ZINC000013063555 569308737 /nfs/dbraw/zinc/30/87/37/569308737.db2.gz ZZUPFWTWLXPRRF-UHFFFAOYSA-N 0 0 443.598 2.984 50 0 IFAARN Cc1ccccc1-n1cnn(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c1=S ZINC000013070766 569308993 /nfs/dbraw/zinc/30/89/93/569308993.db2.gz TYYSEDFRAZMAJS-UHFFFAOYSA-N 0 0 447.561 2.815 50 0 IFAARN O=C([C@@H]1COc2ccccc2O1)N1CCN(Cn2nc(-c3ccccc3)oc2=S)CC1 ZINC000013071747 569309039 /nfs/dbraw/zinc/30/90/39/569309039.db2.gz SNIFEZCCTGTZSE-IBGZPJMESA-N 0 0 438.509 2.814 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCOc3ccccc3)n2N)c1 ZINC000013145572 569311938 /nfs/dbraw/zinc/31/19/38/569311938.db2.gz QLAFQHDZSUYZQP-UHFFFAOYSA-N 0 0 447.586 2.861 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@@H]1C ZINC000013165113 569312519 /nfs/dbraw/zinc/31/25/19/569312519.db2.gz QJWQBNBLMGDWSK-RBSFLKMASA-N 0 0 434.027 2.649 50 0 IFAARN COC(=O)Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000328589950 569316850 /nfs/dbraw/zinc/31/68/50/569316850.db2.gz WUOLGXRQCJODAG-HUUCEWRRSA-N 0 0 434.514 2.914 50 0 IFAARN CC(=O)c1c(C)cc(C)c(CN2C(=O)N[C@](C)(c3ccc(S(N)(=O)=O)cc3)C2=O)c1C ZINC000328593454 569317276 /nfs/dbraw/zinc/31/72/76/569317276.db2.gz VJWRXLDWASRILD-JOCHJYFZSA-N 0 0 443.525 2.633 50 0 IFAARN CN(C)C(=O)c1cc(S(=O)(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cn1C ZINC000328594079 569317637 /nfs/dbraw/zinc/31/76/37/569317637.db2.gz NXQQLENVZJDHPE-CQSZACIVSA-N 0 0 448.570 2.711 50 0 IFAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Oc1ccc(N2CCCC2=O)cc1 ZINC000078739144 569318865 /nfs/dbraw/zinc/31/88/65/569318865.db2.gz JFQGHVRADMUVSS-LJQANCHMSA-N 0 0 448.566 2.819 50 0 IFAARN Cc1cc(-n2c(C)cc(/C=C/C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)c2C)no1 ZINC000019355611 569318908 /nfs/dbraw/zinc/31/89/08/569318908.db2.gz YZDLBSIJKINNNZ-RUDMXATFSA-N 0 0 445.497 2.673 50 0 IFAARN Cc1nnc(CN2CCN([C@@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)[nH]1 ZINC000078822112 569319292 /nfs/dbraw/zinc/31/92/92/569319292.db2.gz NGYLGCREPGMJNT-NSHDSACASA-N 0 0 430.862 2.930 50 0 IFAARN O=C(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCc2ccccc21 ZINC000078815264 569319310 /nfs/dbraw/zinc/31/93/10/569319310.db2.gz QYRBYQTXVZGUOE-OAQYLSRUSA-N 0 0 428.492 2.916 50 0 IFAARN O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000078820770 569319321 /nfs/dbraw/zinc/31/93/21/569319321.db2.gz VIBHBWAZVMEOGF-ZDUSSCGKSA-N 0 0 440.378 2.684 50 0 IFAARN CCOc1ccccc1O[C@H]1CCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1cccs1 ZINC000078877650 569319907 /nfs/dbraw/zinc/31/99/07/569319907.db2.gz XHVXGKLHCVISMG-CVEARBPZSA-N 0 0 438.571 2.884 50 0 IFAARN CCNC(=O)COc1cccc(NS(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000078902668 569320135 /nfs/dbraw/zinc/32/01/35/569320135.db2.gz LCHBZNDITWOGQR-UHFFFAOYSA-N 0 0 427.320 2.906 50 0 IFAARN COCCN(CC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1)C(=O)OC(C)(C)C ZINC000078971582 569321055 /nfs/dbraw/zinc/32/10/55/569321055.db2.gz CYWLYJNJIBAVQO-LJQANCHMSA-N 0 0 433.549 2.681 50 0 IFAARN C[C@H](CO)N1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2Br)CC1 ZINC000079016398 569322083 /nfs/dbraw/zinc/32/20/83/569322083.db2.gz PEVZOJZDZCOPIT-VXGBXAGGSA-N 0 0 449.187 2.537 50 0 IFAARN Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(C)c1 ZINC000079020464 569322335 /nfs/dbraw/zinc/32/23/35/569322335.db2.gz XCODDICSDTZMPE-SFHVURJKSA-N 0 0 432.565 2.608 50 0 IFAARN CCC[C@H]1CN(CC(=O)NCc2cccs2)CCN1CC(=O)NCc1cccs1 ZINC000079058965 569323742 /nfs/dbraw/zinc/32/37/42/569323742.db2.gz QOHVTFLMWBRZAP-KRWDZBQOSA-N 0 0 434.631 2.529 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc1cc[nH]n1 ZINC000079060809 569323877 /nfs/dbraw/zinc/32/38/77/569323877.db2.gz PUTAVHKGOTZWHH-GFCCVEGCSA-N 0 0 445.339 2.513 50 0 IFAARN CN1CCCc2ccc(S(=O)(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)cc21 ZINC000079061530 569323907 /nfs/dbraw/zinc/32/39/07/569323907.db2.gz ANGMURCRPZMXOL-UHFFFAOYSA-N 0 0 428.558 2.572 50 0 IFAARN CCCNC(=O)CN(CCC)C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000079069803 569324580 /nfs/dbraw/zinc/32/45/80/569324580.db2.gz SBQPZINXZICEES-CQSZACIVSA-N 0 0 447.395 2.624 50 0 IFAARN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000079096926 569325392 /nfs/dbraw/zinc/32/53/92/569325392.db2.gz QVHADFREIULRHE-QZTJIDSGSA-N 0 0 433.553 2.964 50 0 IFAARN C[C@@H](NC(=O)Cn1nnnc1CNC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000079101608 569325485 /nfs/dbraw/zinc/32/54/85/569325485.db2.gz SKAGQQABWAUZJB-SNVBAGLBSA-N 0 0 429.308 2.882 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(OCCCO)CC3)c2)cc1 ZINC000079100691 569325512 /nfs/dbraw/zinc/32/55/12/569325512.db2.gz DYWYWIXSJBQTKT-UHFFFAOYSA-N 0 0 432.542 2.799 50 0 IFAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000079475289 569330775 /nfs/dbraw/zinc/33/07/75/569330775.db2.gz UOTRLORTAPPGRE-GOSISDBHSA-N 0 0 432.484 2.616 50 0 IFAARN COc1ccc(C2(CNC(=O)CCN3C(=O)CC4(CCCC4)C3=O)CCOCC2)cc1 ZINC000079490658 569331306 /nfs/dbraw/zinc/33/13/06/569331306.db2.gz CSXGHNZPKKFGOF-UHFFFAOYSA-N 0 0 428.529 2.569 50 0 IFAARN O=C(NCCCCCc1nnc2ccccn21)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000079494186 569331431 /nfs/dbraw/zinc/33/14/31/569331431.db2.gz AMHPZHQBAPQIDY-INIZCTEOSA-N 0 0 427.940 2.918 50 0 IFAARN CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCCOC)cc1 ZINC000020069156 569333123 /nfs/dbraw/zinc/33/31/23/569333123.db2.gz QQOHRMSEXPYEHP-RBUKOAKNSA-N 0 0 439.541 2.866 50 0 IFAARN Cc1ccc(NC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)c(Br)c1 ZINC000020103664 569334131 /nfs/dbraw/zinc/33/41/31/569334131.db2.gz XDTUEOJUIBJPAD-UHFFFAOYSA-N 0 0 443.301 2.612 50 0 IFAARN O=C1CNC(=O)N1C1CN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000390825918 569353665 /nfs/dbraw/zinc/35/36/65/569353665.db2.gz PSGPTPQKKSOCLS-UHFFFAOYSA-N 0 0 440.308 2.585 50 0 IFAARN Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3ccccc3-c3cn4c(n3)SCC4)n2)n1 ZINC000390826748 569353811 /nfs/dbraw/zinc/35/38/11/569353811.db2.gz BODALMOIOQKSCW-UHFFFAOYSA-N 0 0 447.524 2.654 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)C1 ZINC000390831626 569354420 /nfs/dbraw/zinc/35/44/20/569354420.db2.gz SYLXAAXEVZEXFY-AWEZNQCLSA-N 0 0 447.561 2.664 50 0 IFAARN O=C(Cn1nc2c(cc1=O)CCCC2)NCCn1ccc2ccc(Br)cc21 ZINC000094993141 569355877 /nfs/dbraw/zinc/35/58/77/569355877.db2.gz AYDDGTUJPQKHJT-UHFFFAOYSA-N 0 0 429.318 2.656 50 0 IFAARN CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000020215066 569356431 /nfs/dbraw/zinc/35/64/31/569356431.db2.gz FQKFTFOYRDYDNI-UHFFFAOYSA-N 0 0 435.528 2.738 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N3CCCCCC3)ccc21 ZINC000020232647 569357129 /nfs/dbraw/zinc/35/71/29/569357129.db2.gz DXTFXFSWMYYOSF-HXUWFJFHSA-N 0 0 435.590 2.691 50 0 IFAARN CCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1 ZINC000020234613 569357267 /nfs/dbraw/zinc/35/72/67/569357267.db2.gz ZEECHGOLBBMKKP-UHFFFAOYSA-N 0 0 445.541 2.692 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281412 569358766 /nfs/dbraw/zinc/35/87/66/569358766.db2.gz XIXYMMHAJJTPLN-CXAGYDPISA-N 0 0 428.539 2.822 50 0 IFAARN O=C(Nc1nccs1)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000020281586 569358791 /nfs/dbraw/zinc/35/87/91/569358791.db2.gz PJEPAZDRSPKJRY-UHFFFAOYSA-N 0 0 437.572 2.871 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000020323335 569360391 /nfs/dbraw/zinc/36/03/91/569360391.db2.gz YXPCYDPEESOMCZ-CALCHBBNSA-N 0 0 449.573 2.520 50 0 IFAARN Cc1ccc(N2C(=O)N(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)[C@H]2C)cc1 ZINC000095350631 569361949 /nfs/dbraw/zinc/36/19/49/569361949.db2.gz AZTXZFLXNBMQRF-GOSISDBHSA-N 0 0 436.512 2.656 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000080338260 569362505 /nfs/dbraw/zinc/36/25/05/569362505.db2.gz LAMVWUXGLDKKBH-MRXNPFEDSA-N 0 0 430.936 2.885 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3S(=O)(=O)C(C)(C)CC2=O)cc1 ZINC000020382659 569362767 /nfs/dbraw/zinc/36/27/67/569362767.db2.gz PHRHDODFOBQWEC-UHFFFAOYSA-N 0 0 444.509 2.791 50 0 IFAARN COC(=O)c1cc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)cc(C(=O)OC)c1 ZINC000020385250 569363025 /nfs/dbraw/zinc/36/30/25/569363025.db2.gz IOYHRMRPGHKXHB-UHFFFAOYSA-N 0 0 429.454 2.972 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=S)N(C)Cc1cc2cccc3c2n(c1=O)CCC3 ZINC000080350647 569363250 /nfs/dbraw/zinc/36/32/50/569363250.db2.gz IOFMYSQRQKUCJF-QGZVFWFLSA-N 0 0 433.599 2.549 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)CC1 ZINC000095392687 569363444 /nfs/dbraw/zinc/36/34/44/569363444.db2.gz NFFQZVGLFPAGOZ-UHFFFAOYSA-N 0 0 426.542 2.675 50 0 IFAARN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)c1 ZINC000095399522 569363664 /nfs/dbraw/zinc/36/36/64/569363664.db2.gz OJBZUOMBHSYDSV-OAQYLSRUSA-N 0 0 431.558 2.975 50 0 IFAARN O=C(CN1c2ccccc2S(=O)(=O)CCC1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000020415292 569364429 /nfs/dbraw/zinc/36/44/29/569364429.db2.gz VBHVWQSIQBNSKV-UHFFFAOYSA-N 0 0 428.388 2.734 50 0 IFAARN COc1cc(C(=O)N(C)C[C@H](O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000095409242 569365226 /nfs/dbraw/zinc/36/52/26/569365226.db2.gz AWSFXPLDXHJPLR-FQEVSTJZSA-N 0 0 448.947 2.693 50 0 IFAARN CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)Nc3ncc(Br)cc3F)ccc2O1 ZINC000095444318 569367013 /nfs/dbraw/zinc/36/70/13/569367013.db2.gz ZWMBEOFZAVYGJC-AWEZNQCLSA-N 0 0 445.266 2.651 50 0 IFAARN Cc1ncsc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000095444184 569367058 /nfs/dbraw/zinc/36/70/58/569367058.db2.gz HCVOKSDAGPAVBR-JKSUJKDBSA-N 0 0 436.578 2.819 50 0 IFAARN O=c1[nH]c2ccc(S(=O)(=O)N3CCc4ccccc4[C@H]3Cc3ccccc3)cc2c(=O)[nH]1 ZINC000095445249 569367162 /nfs/dbraw/zinc/36/71/62/569367162.db2.gz UMQJLOGKWWAFBL-JOCHJYFZSA-N 0 0 447.516 2.747 50 0 IFAARN COC(=O)C[C@@H](NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000095444718 569367177 /nfs/dbraw/zinc/36/71/77/569367177.db2.gz OAESVXWOSAQUBG-MRXNPFEDSA-N 0 0 434.489 2.601 50 0 IFAARN COC(=O)c1ccoc1CC1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000095451921 569367910 /nfs/dbraw/zinc/36/79/10/569367910.db2.gz PEVOERVYXVQOGX-UHFFFAOYSA-N 0 0 429.448 2.830 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3cc(F)ccc3OC(C)C)C2)cc1 ZINC000095454958 569368417 /nfs/dbraw/zinc/36/84/17/569368417.db2.gz UOODNWNRRQHEBF-UHFFFAOYSA-N 0 0 437.493 2.816 50 0 IFAARN Cc1ncsc1C(=O)CNC(=O)CCN1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000095456069 569368683 /nfs/dbraw/zinc/36/86/83/569368683.db2.gz XOUMYZICKQSUAK-UHFFFAOYSA-N 0 0 442.372 2.665 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)NCc1cc(Cl)ccn1 ZINC000095462084 569369992 /nfs/dbraw/zinc/36/99/92/569369992.db2.gz NBSJRTNHEMRXPH-UHFFFAOYSA-N 0 0 443.978 2.697 50 0 IFAARN Cc1c(C(=O)N(C)[C@H](C(N)=O)c2cccc(Br)c2)cnn1-c1ccccn1 ZINC000095462402 569370195 /nfs/dbraw/zinc/37/01/95/569370195.db2.gz GCFYGRSHRJWJST-KRWDZBQOSA-N 0 0 428.290 2.637 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000095466709 569371093 /nfs/dbraw/zinc/37/10/93/569371093.db2.gz KZJDVWUYHPYXMO-ORAYPTAESA-N 0 0 436.890 2.789 50 0 IFAARN COc1ccccc1N1CCN(C(=O)C[C@H](Cn2cnnn2)c2ccc(Cl)cc2)CC1 ZINC000095472663 569372114 /nfs/dbraw/zinc/37/21/14/569372114.db2.gz AGMKLYRRJNDBNH-GOSISDBHSA-N 0 0 440.935 2.858 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc43)C2)cn1 ZINC000095472230 569372185 /nfs/dbraw/zinc/37/21/85/569372185.db2.gz SSYZJSLEQIRANP-JTQLQIEISA-N 0 0 430.262 2.721 50 0 IFAARN COc1cc2ncn(CC(=O)NCc3nc4ccccc4n3C(C)C)c(=O)c2cc1OC ZINC000095472834 569372283 /nfs/dbraw/zinc/37/22/83/569372283.db2.gz SAYVYNMNQOJQMQ-UHFFFAOYSA-N 0 0 435.484 2.661 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3noc4c3CCCCC4)CC2)c(OC)c1OC ZINC000095475607 569372719 /nfs/dbraw/zinc/37/27/19/569372719.db2.gz DEYXPLJYOHCTEP-UHFFFAOYSA-N 0 0 429.517 2.927 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000095475484 569372808 /nfs/dbraw/zinc/37/28/08/569372808.db2.gz NYQXSYKQQRFHML-LBPRGKRZSA-N 0 0 425.420 2.661 50 0 IFAARN COCCn1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc2ccccc21 ZINC000095476678 569372996 /nfs/dbraw/zinc/37/29/96/569372996.db2.gz JYSJSYXENIQRLN-UHFFFAOYSA-N 0 0 441.553 2.743 50 0 IFAARN CC(C)[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccccn1 ZINC000095476260 569373088 /nfs/dbraw/zinc/37/30/88/569373088.db2.gz ACDMYHXMDIVJOI-HXUWFJFHSA-N 0 0 429.952 2.908 50 0 IFAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)c(OC)c1OC ZINC000095477263 569373119 /nfs/dbraw/zinc/37/31/19/569373119.db2.gz GRGNXJIERVAKLS-SFHVURJKSA-N 0 0 435.502 2.978 50 0 IFAARN O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000095477448 569373179 /nfs/dbraw/zinc/37/31/79/569373179.db2.gz PEDJXBFNHBECRK-KRWDZBQOSA-N 0 0 428.899 2.988 50 0 IFAARN CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H](Cn2cnnn2)c2ccc(Cl)cc2)CC1 ZINC000095478673 569373534 /nfs/dbraw/zinc/37/35/34/569373534.db2.gz DSMJIYBWDFAPBV-INIZCTEOSA-N 0 0 434.928 2.580 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCCSc2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000095482161 569374222 /nfs/dbraw/zinc/37/42/22/569374222.db2.gz DAZUPEIGLRKATL-UHFFFAOYSA-N 0 0 441.538 2.946 50 0 IFAARN CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000095482542 569374440 /nfs/dbraw/zinc/37/44/40/569374440.db2.gz YZXUSBMUGQFMMI-UHFFFAOYSA-N 0 0 437.949 2.927 50 0 IFAARN CC(C)[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000095482664 569374484 /nfs/dbraw/zinc/37/44/84/569374484.db2.gz YTDRGLZIXMQYTK-QGZVFWFLSA-N 0 0 434.903 2.764 50 0 IFAARN COc1ccc([C@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)C)cc1 ZINC000095941996 569375522 /nfs/dbraw/zinc/37/55/22/569375522.db2.gz GWDSRZKHERIWSU-HXUWFJFHSA-N 0 0 430.526 2.998 50 0 IFAARN COc1ccc([C@@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)C)cc1 ZINC000095941995 569375581 /nfs/dbraw/zinc/37/55/81/569375581.db2.gz GWDSRZKHERIWSU-FQEVSTJZSA-N 0 0 430.526 2.998 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(N)c3)CC2)cc1OCC ZINC000095944669 569375662 /nfs/dbraw/zinc/37/56/62/569375662.db2.gz OSUVOONCNJAVNU-UHFFFAOYSA-N 0 0 447.557 2.603 50 0 IFAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1 ZINC000021089929 569376069 /nfs/dbraw/zinc/37/60/69/569376069.db2.gz MVZVDAOEAUMBFX-OAHLLOKOSA-N 0 0 428.388 2.904 50 0 IFAARN O=C1O[C@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CN1c1ccccc1 ZINC000095961304 569377124 /nfs/dbraw/zinc/37/71/24/569377124.db2.gz ZJMVDZYMWVDHEI-QGZVFWFLSA-N 0 0 425.514 2.941 50 0 IFAARN Cc1onc(-c2ccncc2)c1C(=O)OCC(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000095971243 569377506 /nfs/dbraw/zinc/37/75/06/569377506.db2.gz WPRGIPFWRNSTKR-UHFFFAOYSA-N 0 0 434.496 2.855 50 0 IFAARN CNC(=O)c1cccc(CCNc2cc(NCCc3cccc(C(=O)NC)c3)ncn2)c1 ZINC000095972546 569377527 /nfs/dbraw/zinc/37/75/27/569377527.db2.gz RWXJFOWOFPPIDJ-UHFFFAOYSA-N 0 0 432.528 2.505 50 0 IFAARN O=C(CN1CCN(c2ncccn2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000095975601 569377628 /nfs/dbraw/zinc/37/76/28/569377628.db2.gz XPQIAXQQFLQQMX-UHFFFAOYSA-N 0 0 434.466 2.856 50 0 IFAARN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1C(F)F ZINC000095986667 569378079 /nfs/dbraw/zinc/37/80/79/569378079.db2.gz JZGGWJFSRABUHE-UHFFFAOYSA-N 0 0 429.422 2.935 50 0 IFAARN O=C(NC1(CO)CCOCC1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000095997265 569378869 /nfs/dbraw/zinc/37/88/69/569378869.db2.gz JXGPOEXDOFEDIN-UHFFFAOYSA-N 0 0 442.896 2.551 50 0 IFAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1C ZINC000095997217 569378922 /nfs/dbraw/zinc/37/89/22/569378922.db2.gz MUKSKHQIQPVCJG-JOCHJYFZSA-N 0 0 429.524 2.951 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)cc1F ZINC000096025556 569380617 /nfs/dbraw/zinc/38/06/17/569380617.db2.gz FLIAHZHRIBPZDK-OAHLLOKOSA-N 0 0 427.519 2.851 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1F ZINC000096099554 569381693 /nfs/dbraw/zinc/38/16/93/569381693.db2.gz ZRCBWGHSLGHPHB-UHFFFAOYSA-N 0 0 431.507 2.586 50 0 IFAARN O=C(CCn1cnc2ccccc2c1=O)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103486 569382019 /nfs/dbraw/zinc/38/20/19/569382019.db2.gz DAKPXQAIBFNSGL-KRWDZBQOSA-N 0 0 445.928 2.515 50 0 IFAARN O=C(Nc1cccc(Br)c1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000096105221 569382222 /nfs/dbraw/zinc/38/22/22/569382222.db2.gz DZMHKMPWIRVKTJ-UHFFFAOYSA-N 0 0 428.294 2.675 50 0 IFAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)c(OC)c1 ZINC000096105615 569382526 /nfs/dbraw/zinc/38/25/26/569382526.db2.gz OZIVHGBXBBTYDB-UHFFFAOYSA-N 0 0 441.459 2.570 50 0 IFAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)c(C)c1 ZINC000096105611 569382573 /nfs/dbraw/zinc/38/25/73/569382573.db2.gz SIGYICRRKPCYIL-UHFFFAOYSA-N 0 0 425.460 2.870 50 0 IFAARN COc1ccc2c(C)c(CC(=O)Nc3ccc4ncn(C)c(=O)c4c3)c(=O)oc2c1OC ZINC000096114752 569383047 /nfs/dbraw/zinc/38/30/47/569383047.db2.gz IWOPMYYZDHONSR-UHFFFAOYSA-N 0 0 435.436 2.547 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)C=Cc3ccco3)CC2)cc1 ZINC000096120418 569384891 /nfs/dbraw/zinc/38/48/91/569384891.db2.gz WLPQASZXFHHJJI-RMKNXTFCSA-N 0 0 447.513 2.688 50 0 IFAARN O=C(c1cccnc1)N1CCC(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000096120524 569384904 /nfs/dbraw/zinc/38/49/04/569384904.db2.gz OXUWFQYFTMQSOE-UHFFFAOYSA-N 0 0 443.447 2.811 50 0 IFAARN O=S(=O)(CCOc1ccccc1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096120144 569384953 /nfs/dbraw/zinc/38/49/53/569384953.db2.gz JUAQJBFGZFPECM-GOSISDBHSA-N 0 0 429.947 2.597 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)NCc1ccc(Cl)cc1 ZINC000096121140 569385058 /nfs/dbraw/zinc/38/50/58/569385058.db2.gz OCMLQVWLYKVGAL-GDNBJRDFSA-N 0 0 433.961 2.575 50 0 IFAARN COc1ccc(NC(=O)CN2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1Cl ZINC000096121149 569385085 /nfs/dbraw/zinc/38/50/85/569385085.db2.gz GTBGRSDSUIPMKT-ZROIWOOFSA-N 0 0 449.960 2.905 50 0 IFAARN COc1cc(OC)c(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1Cl ZINC000096121420 569385086 /nfs/dbraw/zinc/38/50/86/569385086.db2.gz XKRGSLOGCIJMNJ-UHFFFAOYSA-N 0 0 436.900 2.694 50 0 IFAARN COc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 ZINC000096124107 569385348 /nfs/dbraw/zinc/38/53/48/569385348.db2.gz GUPGRCYCWDCWGT-ZDUSSCGKSA-N 0 0 447.421 2.940 50 0 IFAARN CCOc1cc(/C=C\C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)ccc1OC(F)F ZINC000096134015 569385863 /nfs/dbraw/zinc/38/58/63/569385863.db2.gz JJJLDEDJNJVLBT-VURMDHGXSA-N 0 0 432.489 2.582 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N(C)Cc3ccccc3)C2=O)cc1OC ZINC000096220959 569386737 /nfs/dbraw/zinc/38/67/37/569386737.db2.gz YMTGKQVTMQKWQP-SFHVURJKSA-N 0 0 425.485 2.563 50 0 IFAARN COc1cccc(Cn2cnc3c2c(=O)n(CC2CC2)c(=O)n3-c2cccc(OC)c2)c1 ZINC000096236568 569387807 /nfs/dbraw/zinc/38/78/07/569387807.db2.gz WSWITQNMLAAQOC-UHFFFAOYSA-N 0 0 432.480 2.824 50 0 IFAARN COc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)CC1 ZINC000096236074 569387878 /nfs/dbraw/zinc/38/78/78/569387878.db2.gz VBYLVWQGDPCAAK-ZHACJKMWSA-N 0 0 446.573 2.636 50 0 IFAARN COc1cccc(CNC(=O)[C@H]2[C@H]3C(=O)N(Cc4ccccc4Cl)C[C@@]34C=C[C@@H]2O4)c1 ZINC000096286783 569390171 /nfs/dbraw/zinc/39/01/71/569390171.db2.gz IWIVCSVCCHKYGR-XARGGIHNSA-N 0 0 438.911 2.947 50 0 IFAARN CC(C)NC(=O)[C@]1(OCc2ccccc2)C[C@@H](O)[C@@H](O)[C@@H](OCc2ccc(F)cc2F)C1 ZINC000096287915 569390426 /nfs/dbraw/zinc/39/04/26/569390426.db2.gz DBGSDXOOBBFZQN-GBAAUQCPSA-N 0 0 449.494 2.846 50 0 IFAARN COCCN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)Cc1ccc(F)cc1 ZINC000096292229 569391203 /nfs/dbraw/zinc/39/12/03/569391203.db2.gz ZLMMRDXIIRXPJJ-UHFFFAOYSA-N 0 0 427.432 2.865 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O ZINC000096307784 569392276 /nfs/dbraw/zinc/39/22/76/569392276.db2.gz RBWDTPBMLWJZHW-UHFFFAOYSA-N 0 0 429.473 2.725 50 0 IFAARN CCN(c1cccc(CO)c1)S(=O)(=O)c1cc(/C=C\C(=O)OC)cc(OC)c1OC ZINC000096316114 569392738 /nfs/dbraw/zinc/39/27/38/569392738.db2.gz ZPYJHWSQLFRQRN-KTKRTIGZSA-N 0 0 435.498 2.598 50 0 IFAARN CC(=O)c1ccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)NCc3ccco3)c2=O)cc1 ZINC000096318251 569393774 /nfs/dbraw/zinc/39/37/74/569393774.db2.gz RFTLCXJZOZKZDA-UHFFFAOYSA-N 0 0 431.448 2.573 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5cccnc5)no4)ccc3c2=O)cc1 ZINC000096320173 569394023 /nfs/dbraw/zinc/39/40/23/569394023.db2.gz GAZUEQZWQKXXDI-UHFFFAOYSA-N 0 0 427.420 2.859 50 0 IFAARN CC(C)Cn1c2nn(Cc3ccc(N4CCCC4=O)cc3)c(=O)n2c2ccsc2c1=O ZINC000096321837 569394181 /nfs/dbraw/zinc/39/41/81/569394181.db2.gz HAZNIUHLWIOHQI-UHFFFAOYSA-N 0 0 437.525 2.704 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@H](c2nc(-c3ccc4c(c3)[nH]c(=O)n4C)no2)C(C)C)cc1 ZINC000096321531 569394191 /nfs/dbraw/zinc/39/41/91/569394191.db2.gz TVDPGUJGYMIVMA-SFHVURJKSA-N 0 0 441.513 2.901 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N(C)C)cs3)CC2)cc1 ZINC000096321888 569394262 /nfs/dbraw/zinc/39/42/62/569394262.db2.gz GKRVRUZQSSJPAR-UHFFFAOYSA-N 0 0 435.571 2.798 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)N(C)c4ccc(C)cc4)cc3oc2=O)no1 ZINC000096322130 569394346 /nfs/dbraw/zinc/39/43/46/569394346.db2.gz HDWGPXZIGZDOKR-UHFFFAOYSA-N 0 0 428.470 2.722 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3oc2=O)no1 ZINC000096322110 569394410 /nfs/dbraw/zinc/39/44/10/569394410.db2.gz ATVAMYFEHBYXAI-UHFFFAOYSA-N 0 0 440.481 2.730 50 0 IFAARN Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CC3)n2)cc1 ZINC000096322151 569394412 /nfs/dbraw/zinc/39/44/12/569394412.db2.gz RGXQCBAORQMBHD-UHFFFAOYSA-N 0 0 440.481 2.690 50 0 IFAARN COc1cccc(NC(=O)Cn2nc3c4cc(-c5ccc(F)cc5)nn4ccn3c2=O)c1 ZINC000096322492 569394671 /nfs/dbraw/zinc/39/46/71/569394671.db2.gz ZBUJDXKUJWSFBN-UHFFFAOYSA-N 0 0 432.415 2.597 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1nc2c3cc(-c4ccc(F)cc4)nn3ccn2c1=O ZINC000096322496 569394704 /nfs/dbraw/zinc/39/47/04/569394704.db2.gz QDWAVPKEKDORII-UHFFFAOYSA-N 0 0 446.442 2.987 50 0 IFAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)CC2)c(C)c1 ZINC000096323425 569395227 /nfs/dbraw/zinc/39/52/27/569395227.db2.gz AOANDGPMNGHIRX-UHFFFAOYSA-N 0 0 434.562 2.545 50 0 IFAARN CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCCCC1 ZINC000096324048 569395695 /nfs/dbraw/zinc/39/56/95/569395695.db2.gz LCANUGMCHVIALA-AWEZNQCLSA-N 0 0 425.576 2.542 50 0 IFAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3)ccc21)N1CCCC1 ZINC000096324043 569395722 /nfs/dbraw/zinc/39/57/22/569395722.db2.gz ZMRKJHSQNYGDOF-UHFFFAOYSA-N 0 0 431.539 2.876 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)c1 ZINC000096324758 569396124 /nfs/dbraw/zinc/39/61/24/569396124.db2.gz FPDVRVLRGWBUMS-MRXNPFEDSA-N 0 0 435.484 2.980 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)cc1 ZINC000096324794 569396175 /nfs/dbraw/zinc/39/61/75/569396175.db2.gz GOYLNSBVMXTJDE-QGZVFWFLSA-N 0 0 432.484 2.921 50 0 IFAARN O=C(c1cccs1)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000096333082 569396503 /nfs/dbraw/zinc/39/65/03/569396503.db2.gz QKSIJBKORGVRFF-UHFFFAOYSA-N 0 0 431.521 2.864 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000096332501 569396530 /nfs/dbraw/zinc/39/65/30/569396530.db2.gz NFCZIAOJQXXWIO-YJYMSZOUSA-N 0 0 440.500 2.794 50 0 IFAARN CC[C@H](C)[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000096332504 569396557 /nfs/dbraw/zinc/39/65/57/569396557.db2.gz NFCZIAOJQXXWIO-ORAYPTAESA-N 0 0 440.500 2.794 50 0 IFAARN CN(C)S(=O)(=O)N1CCc2nc(NC(=O)c3ccccc3C(F)(F)F)sc2C1 ZINC000096335303 569396599 /nfs/dbraw/zinc/39/65/99/569396599.db2.gz VPFBEACNFGPIDK-UHFFFAOYSA-N 0 0 434.465 2.579 50 0 IFAARN COc1cccc(CC(=O)N2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)c1 ZINC000096358557 569397500 /nfs/dbraw/zinc/39/75/00/569397500.db2.gz FFRSGHVZMLZTLA-UHFFFAOYSA-N 0 0 438.915 2.786 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccc(Cl)cc4o3)CC2)cc1 ZINC000096358530 569397542 /nfs/dbraw/zinc/39/75/42/569397542.db2.gz NOGVZQAHRAREFB-UHFFFAOYSA-N 0 0 448.932 2.946 50 0 IFAARN C[C@@H](NC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccn2)C1=O)c1cccnc1 ZINC000096372490 569397925 /nfs/dbraw/zinc/39/79/25/569397925.db2.gz PORBWPLEBGSKJW-MRXNPFEDSA-N 0 0 426.480 2.973 50 0 IFAARN COc1ccc(OC)c(CNC(=O)Cn2c3cccnc3n(-c3ccc(C)cc3)c2=O)c1 ZINC000096385569 569398293 /nfs/dbraw/zinc/39/82/93/569398293.db2.gz HGOPBMQRJNSETO-UHFFFAOYSA-N 0 0 432.480 2.829 50 0 IFAARN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)OC ZINC000096385272 569398343 /nfs/dbraw/zinc/39/83/43/569398343.db2.gz VAGMXVZWSGQYGD-FQEVSTJZSA-N 0 0 425.485 2.655 50 0 IFAARN CCc1nc2cc(N3CCC[C@@H](C(=O)N4CCC5(CC4)OCCO5)C3)cnc2nc1CC ZINC000096387347 569398852 /nfs/dbraw/zinc/39/88/52/569398852.db2.gz MZJBUWRKRWUISX-QGZVFWFLSA-N 0 0 439.560 2.732 50 0 IFAARN CCc1nc2cc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)cnc2nc1CC ZINC000096387406 569399013 /nfs/dbraw/zinc/39/90/13/569399013.db2.gz JVZJKTKBXUICRD-UHFFFAOYSA-N 0 0 439.560 2.732 50 0 IFAARN CCOc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)cc1 ZINC000096396981 569399339 /nfs/dbraw/zinc/39/93/39/569399339.db2.gz LNJQPVCITGKOED-UHFFFAOYSA-N 0 0 427.501 2.874 50 0 IFAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000096398187 569399562 /nfs/dbraw/zinc/39/95/62/569399562.db2.gz FTIZQKWVMVXRAA-UHFFFAOYSA-N 0 0 448.346 2.745 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c1 ZINC000096398204 569399565 /nfs/dbraw/zinc/39/95/65/569399565.db2.gz YAVQIRJWVIEGSZ-AWEZNQCLSA-N 0 0 430.526 2.981 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N(C)C)cc3C2)CC1 ZINC000096398262 569399590 /nfs/dbraw/zinc/39/95/90/569399590.db2.gz YQNPDVZEBXPEAX-MRXNPFEDSA-N 0 0 427.570 2.912 50 0 IFAARN CCCC[C@@H](CC)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000096997128 569402780 /nfs/dbraw/zinc/40/27/80/569402780.db2.gz AIIOBDAUANPUFH-IEBWSBKVSA-N 0 0 425.595 2.548 50 0 IFAARN O=c1ccc(-n2ccnc2)nn1C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000097164990 569403394 /nfs/dbraw/zinc/40/33/94/569403394.db2.gz VXPSEVNMUXKFEG-FQEVSTJZSA-N 0 0 438.434 2.874 50 0 IFAARN O=C(c1cccc(-n2cccn2)c1)N1CCC(Cc2n[nH]c(=O)n2-c2cccs2)CC1 ZINC000225546213 569404148 /nfs/dbraw/zinc/40/41/48/569404148.db2.gz JFMBTDHVDZWTMI-UHFFFAOYSA-N 0 0 434.525 2.903 50 0 IFAARN O=C(NCCc1cnc(-c2ccccc2)nc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000225592935 569405337 /nfs/dbraw/zinc/40/53/37/569405337.db2.gz VSKAZQHBGBDOQS-UHFFFAOYSA-N 0 0 436.537 2.901 50 0 IFAARN O=C(CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NC1CCCCC1 ZINC000002493583 569405555 /nfs/dbraw/zinc/40/55/55/569405555.db2.gz RMBNXQQMFYDTTG-UHFFFAOYSA-N 0 0 430.574 2.682 50 0 IFAARN O=S(=O)(c1ccccc1Br)N1CC(n2cc(COc3ccccc3)nn2)C1 ZINC000225629573 569405905 /nfs/dbraw/zinc/40/59/05/569405905.db2.gz NKLRHYCFRFUBNV-UHFFFAOYSA-N 0 0 449.330 2.865 50 0 IFAARN CC(C)NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000028047172 569406580 /nfs/dbraw/zinc/40/65/80/569406580.db2.gz UJVIBGYPUWBCOU-UHFFFAOYSA-N 0 0 447.376 2.614 50 0 IFAARN O=C1CCc2cc(S(=O)(=O)NC[C@H](O)c3csc4ccccc43)cc3c2N1CC3 ZINC000225696819 569407340 /nfs/dbraw/zinc/40/73/40/569407340.db2.gz LHLXLUMZGSFYKR-SFHVURJKSA-N 0 0 428.535 2.749 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 ZINC000225731414 569407642 /nfs/dbraw/zinc/40/76/42/569407642.db2.gz JYOLSKSAJGIIDM-HNNXBMFYSA-N 0 0 443.447 2.644 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 ZINC000225735970 569407824 /nfs/dbraw/zinc/40/78/24/569407824.db2.gz BJZAXXQITPSFRP-HNNXBMFYSA-N 0 0 429.420 2.901 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)C1 ZINC000225779967 569408632 /nfs/dbraw/zinc/40/86/32/569408632.db2.gz JLLDTHROQLDGFU-AWEZNQCLSA-N 0 0 446.935 2.880 50 0 IFAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000028340927 569409713 /nfs/dbraw/zinc/40/97/13/569409713.db2.gz BBQFCRCEWJOBCV-CQSZACIVSA-N 0 0 425.551 2.501 50 0 IFAARN COc1cc2c(cc1NC(=O)[C@H](C)Sc1nnc(C)c(=O)n1N)oc1ccccc12 ZINC000002618821 569410448 /nfs/dbraw/zinc/41/04/48/569410448.db2.gz SUSSHZMKAKKLSG-NSHDSACASA-N 0 0 425.470 2.688 50 0 IFAARN CCc1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC000002625182 569411682 /nfs/dbraw/zinc/41/16/82/569411682.db2.gz OPRUQJZBQJYRHB-NSHDSACASA-N 0 0 434.465 2.911 50 0 IFAARN COC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000002634006 569412814 /nfs/dbraw/zinc/41/28/14/569412814.db2.gz JJNBSPHWTJPSBR-GFCCVEGCSA-N 0 0 430.844 2.889 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(Cc3c(C)noc3C)o2)n1 ZINC000028572728 569413035 /nfs/dbraw/zinc/41/30/35/569413035.db2.gz RZWQPBNNYCBKFR-UHFFFAOYSA-N 0 0 447.469 2.833 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1cccnc1Cl ZINC000002657675 569415610 /nfs/dbraw/zinc/41/56/10/569415610.db2.gz DRODZIYCRYITQI-UHFFFAOYSA-N 0 0 449.872 2.602 50 0 IFAARN Cn1c(N)c(-c2nc(C3CCCC3)c(C(=O)c3cc(F)ccc3F)s2)c(=O)n(C)c1=O ZINC000002659405 569415779 /nfs/dbraw/zinc/41/57/79/569415779.db2.gz VHZSGKZAKFLRSQ-UHFFFAOYSA-N 0 0 446.479 2.957 50 0 IFAARN CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000002661788 569416145 /nfs/dbraw/zinc/41/61/45/569416145.db2.gz DHHQPXCDCYXTNZ-UHFFFAOYSA-N 0 0 425.510 2.780 50 0 IFAARN COCCn1c(Cc2cccn2C)nnc1SCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000002713856 569417907 /nfs/dbraw/zinc/41/79/07/569417907.db2.gz ZWPPYISMKHCLEL-UHFFFAOYSA-N 0 0 442.545 2.543 50 0 IFAARN C[C@@H]1CN(Cc2cccc(CNC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)c2)CCO1 ZINC000230037032 569418366 /nfs/dbraw/zinc/41/83/66/569418366.db2.gz AAYDAVYVMASOAP-YKSBVNFPSA-N 0 0 435.568 2.615 50 0 IFAARN Cn1cc(I)c(C(=O)Nc2ccn(Cc3ccccc3F)n2)n1 ZINC000002749346 569420086 /nfs/dbraw/zinc/42/00/86/569420086.db2.gz FXJVBJFGSWLJKZ-UHFFFAOYSA-N 0 0 425.205 2.661 50 0 IFAARN Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4nn(C)c(C)c4Br)nc3c12 ZINC000002790310 569421820 /nfs/dbraw/zinc/42/18/20/569421820.db2.gz DEHNBPDGXAGXEW-UHFFFAOYSA-N 0 0 434.323 2.821 50 0 IFAARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2c(Br)c(C)nn2C)cc1 ZINC000002801759 569422392 /nfs/dbraw/zinc/42/23/92/569422392.db2.gz CFZPXLPZCOWHDB-UHFFFAOYSA-N 0 0 425.308 2.795 50 0 IFAARN Cc1nnc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3cc(Cl)ccc3C)c(N)c1-2 ZINC000002926941 569425764 /nfs/dbraw/zinc/42/57/64/569425764.db2.gz LCJZWLSUUBAFAG-AWEZNQCLSA-N 0 0 446.964 2.886 50 0 IFAARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000029072639 569425871 /nfs/dbraw/zinc/42/58/71/569425871.db2.gz TZQSYSXIGNZMMP-UHFFFAOYSA-N 0 0 428.432 2.654 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000002932355 569426112 /nfs/dbraw/zinc/42/61/12/569426112.db2.gz VWNWFHVWJHKHDW-QGOAFFKASA-N 0 0 427.507 2.805 50 0 IFAARN CSc1ccccc1C(=O)N1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1 ZINC000056936734 569427837 /nfs/dbraw/zinc/42/78/37/569427837.db2.gz WMDSKVAWIZLRJG-QGZVFWFLSA-N 0 0 448.614 2.544 50 0 IFAARN CC(C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000056945702 569428127 /nfs/dbraw/zinc/42/81/27/569428127.db2.gz VILJSFVRMXSBGZ-FQEVSTJZSA-N 0 0 430.524 2.561 50 0 IFAARN CC(C)(C)NC(=O)COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O ZINC000056949927 569428278 /nfs/dbraw/zinc/42/82/78/569428278.db2.gz XUXPMTZMNODBHJ-UHFFFAOYSA-N 0 0 433.936 2.909 50 0 IFAARN CC1CCN(C(=O)COc2coc(CN3CCN(c4ccc(F)cc4)CC3)cc2=O)CC1 ZINC000056949790 569428341 /nfs/dbraw/zinc/42/83/41/569428341.db2.gz UEUWFVULOCNSFB-UHFFFAOYSA-N 0 0 443.519 2.738 50 0 IFAARN COc1ccc(N2C(=O)CN(Cc3ccccc3F)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000056998157 569429116 /nfs/dbraw/zinc/42/91/16/569429116.db2.gz AOLWPHSCDQGXKY-QZTJIDSGSA-N 0 0 438.908 2.502 50 0 IFAARN COc1ccc(N2C(=O)CN(CCCc3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000056998163 569429133 /nfs/dbraw/zinc/42/91/33/569429133.db2.gz ZGNYLZDVHVDOIU-WOJBJXKFSA-N 0 0 448.972 2.796 50 0 IFAARN O=S1(=O)CC[C@H](N(Cc2cccc(F)c2)C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000226776090 569429256 /nfs/dbraw/zinc/42/92/56/569429256.db2.gz KKDTWOFEPUNPTQ-RBUKOAKNSA-N 0 0 427.925 2.908 50 0 IFAARN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCN(c2nccs2)CC1 ZINC000029411371 569430165 /nfs/dbraw/zinc/43/01/65/569430165.db2.gz KYFMSRQGPTUBMS-UHFFFAOYSA-N 0 0 429.329 2.997 50 0 IFAARN COc1ccc(CC(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000057328817 569431172 /nfs/dbraw/zinc/43/11/72/569431172.db2.gz FNPBMYTZQTXDQP-YBFXNURJSA-N 0 0 440.477 2.819 50 0 IFAARN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000057380613 569432673 /nfs/dbraw/zinc/43/26/73/569432673.db2.gz VYTWOTXPHGVOGK-GFCCVEGCSA-N 0 0 434.331 2.819 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3ccc(C)cc3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057414411 569433947 /nfs/dbraw/zinc/43/39/47/569433947.db2.gz NYAPYTYCBJIEAJ-QHCPKHFHSA-N 0 0 434.540 2.988 50 0 IFAARN COC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414293 569433969 /nfs/dbraw/zinc/43/39/69/569433969.db2.gz LQUMCSSNWJFULE-OAQYLSRUSA-N 0 0 440.931 2.943 50 0 IFAARN COCCCNC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc(OC)cc1 ZINC000057425920 569434487 /nfs/dbraw/zinc/43/44/87/569434487.db2.gz NUEODGGZCKWMLY-UHFFFAOYSA-N 0 0 433.555 2.760 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3nc2SCC(=O)NC[C@@H]2CCCO2)c1 ZINC000057426154 569434539 /nfs/dbraw/zinc/43/45/39/569434539.db2.gz WSPHGTRIDLNZLN-INIZCTEOSA-N 0 0 445.566 2.902 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCC(C)CC3)c2=O)c1 ZINC000057426816 569434646 /nfs/dbraw/zinc/43/46/46/569434646.db2.gz KPRIQSHVIBEDAF-UHFFFAOYSA-N 0 0 427.526 2.540 50 0 IFAARN COc1ccccc1CNC(=O)Cn1cnc2c(cnn2-c2cc(Cl)ccc2C)c1=O ZINC000057428333 569434877 /nfs/dbraw/zinc/43/48/77/569434877.db2.gz RHTKHUZDRBXZSA-UHFFFAOYSA-N 0 0 437.887 2.869 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3)c2=O)c1 ZINC000057428927 569434978 /nfs/dbraw/zinc/43/49/78/569434978.db2.gz YUTKNRNCUFZBGT-UHFFFAOYSA-N 0 0 434.477 2.811 50 0 IFAARN O=C(CN1CCN(c2nccs2)CC1)Nc1ccc(I)cc1 ZINC000057463417 569435449 /nfs/dbraw/zinc/43/54/49/569435449.db2.gz UXSIBDQVESPIQO-UHFFFAOYSA-N 0 0 428.299 2.508 50 0 IFAARN CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)(=O)C2 ZINC000003009391 569435247 /nfs/dbraw/zinc/43/52/47/569435247.db2.gz KOFCKSMATLUYQL-UHFFFAOYSA-N 0 0 427.482 2.960 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478464 569435909 /nfs/dbraw/zinc/43/59/09/569435909.db2.gz YUUAGGQOQJJZFL-HSZRJFAPSA-N 0 0 449.555 2.637 50 0 IFAARN O=C(Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O)Nc1ccccc1 ZINC000057504390 569438166 /nfs/dbraw/zinc/43/81/66/569438166.db2.gz WBULPZWVZVMAKA-UHFFFAOYSA-N 0 0 430.399 2.991 50 0 IFAARN COc1cc(NC(=O)Cn2c(=O)cc(C)nc2N2CCc3ccccc3C2)cc(OC)c1 ZINC000057506544 569438239 /nfs/dbraw/zinc/43/82/39/569438239.db2.gz WGKCVEQSJIVDNU-UHFFFAOYSA-N 0 0 434.496 2.770 50 0 IFAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc32)cc1OC ZINC000057507005 569438245 /nfs/dbraw/zinc/43/82/45/569438245.db2.gz HUZOCOLLTCRTEM-UHFFFAOYSA-N 0 0 447.542 2.671 50 0 IFAARN O=C(CSc1ncnc2nc(N3CCOCC3)sc21)N[C@H]1CCc2ccccc21 ZINC000057507163 569438314 /nfs/dbraw/zinc/43/83/14/569438314.db2.gz YKYGVNPYGDSYLP-HNNXBMFYSA-N 0 0 427.555 2.819 50 0 IFAARN O=C(CSc1ncnc2nc(N3CCOCC3)sc21)NCCCc1ccccc1 ZINC000057507040 569438317 /nfs/dbraw/zinc/43/83/17/569438317.db2.gz KHDSPZRPYHNRJR-UHFFFAOYSA-N 0 0 429.571 2.764 50 0 IFAARN O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1cc(F)ccc1F ZINC000057520259 569438765 /nfs/dbraw/zinc/43/87/65/569438765.db2.gz YDAGRSMCPDFKSE-UHFFFAOYSA-N 0 0 430.440 2.564 50 0 IFAARN CN(C(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)c1cccc(Cl)c1 ZINC000057520353 569438767 /nfs/dbraw/zinc/43/87/67/569438767.db2.gz NZCFLPBENBXLOY-UHFFFAOYSA-N 0 0 442.932 2.963 50 0 IFAARN COc1cccc(NC(=O)COc2cc(CC(=O)NC3CC3)nc(-c3ccccc3)n2)c1 ZINC000057522503 569438979 /nfs/dbraw/zinc/43/89/79/569438979.db2.gz GLXPJQHGVOBPPJ-UHFFFAOYSA-N 0 0 432.480 2.991 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@H]1[C@@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000230138336 569439211 /nfs/dbraw/zinc/43/92/11/569439211.db2.gz OCMPGTANAGIBQD-GMAHTHKFSA-N 0 0 447.514 2.808 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cc(C)ccc3C)CC2)c1 ZINC000057553659 569439802 /nfs/dbraw/zinc/43/98/02/569439802.db2.gz SADUVJRKLXSAKY-SFHVURJKSA-N 0 0 443.569 2.840 50 0 IFAARN CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)CC1 ZINC000030249896 569441310 /nfs/dbraw/zinc/44/13/10/569441310.db2.gz JIHARMXNMFAZEJ-UHFFFAOYSA-N 0 0 441.919 2.680 50 0 IFAARN COc1ncccc1CNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000030304833 569441621 /nfs/dbraw/zinc/44/16/21/569441621.db2.gz MTIWLUKTJWYSCA-UHFFFAOYSA-N 0 0 432.274 2.545 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000057851532 569441959 /nfs/dbraw/zinc/44/19/59/569441959.db2.gz ASDCVEAEDKYLDK-GOSISDBHSA-N 0 0 443.569 2.840 50 0 IFAARN C[C@@H]1CN(c2ccc(NC(=O)NCc3ccc(-n4cncn4)nc3)cc2F)C[C@@H](C)O1 ZINC000057853907 569441961 /nfs/dbraw/zinc/44/19/61/569441961.db2.gz AFUUPIKGAVBBNT-HUUCEWRRSA-N 0 0 425.468 2.737 50 0 IFAARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccc(I)cc1 ZINC000057884323 569442445 /nfs/dbraw/zinc/44/24/45/569442445.db2.gz NPZUIZBQADXNKN-UHFFFAOYSA-N 0 0 437.281 2.758 50 0 IFAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000003252536 569442966 /nfs/dbraw/zinc/44/29/66/569442966.db2.gz YWUXFPHWTMSDKC-UHFFFAOYSA-N 0 0 429.432 2.849 50 0 IFAARN COc1ccc(CCNC(=O)COC(=O)c2ccc(I)cc2)cc1 ZINC000003255136 569443030 /nfs/dbraw/zinc/44/30/30/569443030.db2.gz AIUSTSMNBJAEDT-UHFFFAOYSA-N 0 0 439.249 2.816 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000003280536 569443851 /nfs/dbraw/zinc/44/38/51/569443851.db2.gz ZETRRZXKFLPPCP-MRXNPFEDSA-N 0 0 426.469 2.896 50 0 IFAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c(C)n1C[C@@H]1CCCO1 ZINC000003288498 569444186 /nfs/dbraw/zinc/44/41/86/569444186.db2.gz HINAXHWSUGLQGW-SFHVURJKSA-N 0 0 449.507 2.980 50 0 IFAARN Cc1csc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)n1 ZINC000003288976 569444228 /nfs/dbraw/zinc/44/42/28/569444228.db2.gz HCPMYQZGWWOKMQ-UHFFFAOYSA-N 0 0 425.601 2.694 50 0 IFAARN COC(=O)C[C@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccc(Br)c1 ZINC000058003269 569444565 /nfs/dbraw/zinc/44/45/65/569444565.db2.gz RCOPWWCHUHBVBK-KRWDZBQOSA-N 0 0 437.334 2.818 50 0 IFAARN CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000058009333 569444724 /nfs/dbraw/zinc/44/47/24/569444724.db2.gz QHLYZJVVDGUNBT-UHFFFAOYSA-N 0 0 439.484 2.996 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCC(c2ccc(O)cc2)CC1 ZINC000058016654 569445014 /nfs/dbraw/zinc/44/50/14/569445014.db2.gz DWNIACITKQPTCW-UHFFFAOYSA-N 0 0 429.542 2.594 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccccc3)n2N)c1 ZINC000003308921 569445327 /nfs/dbraw/zinc/44/53/27/569445327.db2.gz ZRCOBXFRUVAIFO-UHFFFAOYSA-N 0 0 445.570 2.664 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003317490 569445831 /nfs/dbraw/zinc/44/58/31/569445831.db2.gz DBSPQZIHAGWBOD-UHFFFAOYSA-N 0 0 433.482 2.528 50 0 IFAARN COc1cc(CC(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc(OC)c1OC ZINC000003322169 569446034 /nfs/dbraw/zinc/44/60/34/569446034.db2.gz YZUROXSTIDNWRZ-ZDUSSCGKSA-N 0 0 430.457 2.784 50 0 IFAARN NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(I)c2)cc1 ZINC000003325167 569446117 /nfs/dbraw/zinc/44/61/17/569446117.db2.gz HZSIFFSSBAJKSE-UHFFFAOYSA-N 0 0 439.209 2.577 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)cc1 ZINC000003325686 569446189 /nfs/dbraw/zinc/44/61/89/569446189.db2.gz QGNMEVZINWNXIJ-UHFFFAOYSA-N 0 0 443.319 2.588 50 0 IFAARN Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCCN1CCN(c3cccc(C)c3C)CC1)O2 ZINC000058065017 569446497 /nfs/dbraw/zinc/44/64/97/569446497.db2.gz XZJMVMQGIAXCIM-QHCPKHFHSA-N 0 0 436.556 2.640 50 0 IFAARN O=C(CSc1nncn1-c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003339200 569446759 /nfs/dbraw/zinc/44/67/59/569446759.db2.gz OPHWSOCGDSZRAA-UHFFFAOYSA-N 0 0 443.554 2.783 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003341859 569446943 /nfs/dbraw/zinc/44/69/43/569446943.db2.gz KGEZJXZFZHBYJT-LLVKDONJSA-N 0 0 430.404 2.798 50 0 IFAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)NC(=O)CN1CCCC1=O ZINC000003348465 569447254 /nfs/dbraw/zinc/44/72/54/569447254.db2.gz ROSGFLIGHCLMRM-UHFFFAOYSA-N 0 0 426.523 2.716 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2ccccc2OC)n1N ZINC000003351623 569447346 /nfs/dbraw/zinc/44/73/46/569447346.db2.gz BKPWNAXHRHAIGO-UHFFFAOYSA-N 0 0 429.502 2.764 50 0 IFAARN Cc1ccc(NC(=O)CSc2nc3ccccc3o2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003354130 569447528 /nfs/dbraw/zinc/44/75/28/569447528.db2.gz XUZKQIJYAJPMCM-UHFFFAOYSA-N 0 0 447.538 2.888 50 0 IFAARN Cc1ccc(CNC(=O)NCc2cccc(CNC(=O)NCc3ccc(C)n3C)c2)n1C ZINC000003359281 569447824 /nfs/dbraw/zinc/44/78/24/569447824.db2.gz NJGCWNDPSCAFCZ-UHFFFAOYSA-N 0 0 436.560 2.979 50 0 IFAARN NC(=O)c1c(NC(=O)CNc2ccc(I)cc2)sc2c1CCC2 ZINC000003362530 569448006 /nfs/dbraw/zinc/44/80/06/569448006.db2.gz UYUGGMOKZSUKJE-UHFFFAOYSA-N 0 0 441.294 2.991 50 0 IFAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003365670 569448170 /nfs/dbraw/zinc/44/81/70/569448170.db2.gz UIIBZKUQLHDZQU-UHFFFAOYSA-N 0 0 447.469 2.600 50 0 IFAARN CCOC(=O)Nc1ccc2c(COC(=O)[C@H](C)NC(=O)c3ccco3)cc(=O)oc2c1 ZINC000003366936 569448196 /nfs/dbraw/zinc/44/81/96/569448196.db2.gz OGHSIDDBOOZGCC-LBPRGKRZSA-N 0 0 428.397 2.816 50 0 IFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccc[nH]1 ZINC000003377924 569448670 /nfs/dbraw/zinc/44/86/70/569448670.db2.gz KPTBSBXPXBOLEM-UHFFFAOYSA-N 0 0 444.431 2.860 50 0 IFAARN Cc1cc(C)n(Cc2ccc(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000058151199 569448902 /nfs/dbraw/zinc/44/89/02/569448902.db2.gz NSJZNNWYSVLOBJ-UHFFFAOYSA-N 0 0 426.542 2.565 50 0 IFAARN O=C(CSc1nnc(Nc2ccccc2)s1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003390434 569449270 /nfs/dbraw/zinc/44/92/70/569449270.db2.gz UZKIRAPDLXGAQG-UHFFFAOYSA-N 0 0 429.527 2.951 50 0 IFAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)N1CCc2ccccc2C1 ZINC000003391919 569449286 /nfs/dbraw/zinc/44/92/86/569449286.db2.gz BLKUNTGBZHDCTQ-NRFANRHFSA-N 0 0 432.476 2.749 50 0 IFAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCc2ccccc21 ZINC000003392834 569449309 /nfs/dbraw/zinc/44/93/09/569449309.db2.gz UUWSGUGOTBIMHL-INIZCTEOSA-N 0 0 428.510 2.606 50 0 IFAARN CC1CCN(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000003395436 569449462 /nfs/dbraw/zinc/44/94/62/569449462.db2.gz XQEJYHVHZLAPIH-UHFFFAOYSA-N 0 0 428.938 2.540 50 0 IFAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000003402882 569449855 /nfs/dbraw/zinc/44/98/55/569449855.db2.gz HGIWXGONQKGPAK-UHFFFAOYSA-N 0 0 434.495 2.929 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000003411312 569450109 /nfs/dbraw/zinc/45/01/09/569450109.db2.gz BCRRVZRUEVKELP-UHFFFAOYSA-N 0 0 428.869 2.900 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccc(Br)cc2)c1 ZINC000003415421 569450201 /nfs/dbraw/zinc/45/02/01/569450201.db2.gz QFDLFWZDWMNXFK-UHFFFAOYSA-N 0 0 441.347 2.850 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1C ZINC000003424055 569450513 /nfs/dbraw/zinc/45/05/13/569450513.db2.gz PTSGICUBXVSFDO-UHFFFAOYSA-N 0 0 443.424 2.844 50 0 IFAARN C/C=C/c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1 ZINC000003429070 569450728 /nfs/dbraw/zinc/45/07/28/569450728.db2.gz UIDHIMJCYWOEAA-XVNBXDOJSA-N 0 0 430.526 2.640 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCCc2ccccc21 ZINC000003433910 569450983 /nfs/dbraw/zinc/45/09/83/569450983.db2.gz TVIVWSPHSYVWIR-NRFANRHFSA-N 0 0 442.537 2.822 50 0 IFAARN COCCNc1nnc(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)s1 ZINC000003436661 569451049 /nfs/dbraw/zinc/45/10/49/569451049.db2.gz QZYINMNJJILPBE-UHFFFAOYSA-N 0 0 428.561 2.664 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1c(F)cccc1F ZINC000003437300 569451055 /nfs/dbraw/zinc/45/10/55/569451055.db2.gz NWUHLEFOPKJUDL-UHFFFAOYSA-N 0 0 438.452 2.935 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000003437761 569451101 /nfs/dbraw/zinc/45/11/01/569451101.db2.gz WMAGLDITMRHKJU-UHFFFAOYSA-N 0 0 438.933 2.844 50 0 IFAARN CC(C)Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1 ZINC000003451396 569451642 /nfs/dbraw/zinc/45/16/42/569451642.db2.gz NARAEDOOGUEEHA-UHFFFAOYSA-N 0 0 435.531 2.572 50 0 IFAARN COC(=O)c1sc(NC(=O)CSc2nncn2-c2ccccc2)c(C(=O)OC)c1C ZINC000003452669 569451718 /nfs/dbraw/zinc/45/17/18/569451718.db2.gz NIONEVMRKPRNIJ-UHFFFAOYSA-N 0 0 446.510 2.941 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)C1=O ZINC000003461933 569451943 /nfs/dbraw/zinc/45/19/43/569451943.db2.gz SPSHCMZRXJQEQZ-QFIPXVFZSA-N 0 0 427.457 2.508 50 0 IFAARN Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)c1 ZINC000003470018 569452023 /nfs/dbraw/zinc/45/20/23/569452023.db2.gz MGGXMSXRTGWJTA-UHFFFAOYSA-N 0 0 427.413 2.646 50 0 IFAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)NC[C@@H]4CCCO4)cc3C2=O)c1 ZINC000003471880 569452137 /nfs/dbraw/zinc/45/21/37/569452137.db2.gz QYTPQYMNEHHQDP-KRWDZBQOSA-N 0 0 436.464 2.556 50 0 IFAARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000003477363 569452208 /nfs/dbraw/zinc/45/22/08/569452208.db2.gz XTDCVQWUGPGGSQ-UHFFFAOYSA-N 0 0 442.493 2.502 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(F)cc1Cl ZINC000003489106 569452439 /nfs/dbraw/zinc/45/24/39/569452439.db2.gz FFLXAONXYFKYLT-SFHVURJKSA-N 0 0 442.896 2.964 50 0 IFAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000031036522 569452724 /nfs/dbraw/zinc/45/27/24/569452724.db2.gz MXEZHBLQXIVRGG-UHFFFAOYSA-N 0 0 431.798 2.535 50 0 IFAARN O=C(NCc1ccccc1)NC1(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CCCC1 ZINC000031040053 569452883 /nfs/dbraw/zinc/45/28/83/569452883.db2.gz GJCZPKCROOIICC-UHFFFAOYSA-N 0 0 438.528 2.813 50 0 IFAARN CCCc1nc2ccccc2c(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1CC ZINC000003521569 569453214 /nfs/dbraw/zinc/45/32/14/569453214.db2.gz MBKHRIMKGOUCKZ-OAHLLOKOSA-N 0 0 432.542 2.552 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)Nc1ncc(Cl)cc1Cl ZINC000003529536 569453349 /nfs/dbraw/zinc/45/33/49/569453349.db2.gz XHAHHBXFHBOJCR-UHFFFAOYSA-N 0 0 433.251 2.840 50 0 IFAARN CCNC(=O)NC(=O)CSc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC000003534845 569453483 /nfs/dbraw/zinc/45/34/83/569453483.db2.gz YQFVKUVMXYTDIL-UHFFFAOYSA-N 0 0 429.477 2.923 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000003555650 569453918 /nfs/dbraw/zinc/45/39/18/569453918.db2.gz MWYDTUCENKTADO-UHFFFAOYSA-N 0 0 430.267 2.794 50 0 IFAARN O=C(/C=C/c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000003557207 569453949 /nfs/dbraw/zinc/45/39/49/569453949.db2.gz NANPREVYBWIOIB-QPJJXVBHSA-N 0 0 448.928 2.658 50 0 IFAARN CCOc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000003557567 569453956 /nfs/dbraw/zinc/45/39/56/569453956.db2.gz YTHTXGFZIYQHTN-UHFFFAOYSA-N 0 0 432.542 2.614 50 0 IFAARN COc1ccnc(N2CCC(C(=O)O[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)n1 ZINC000031180517 569454571 /nfs/dbraw/zinc/45/45/71/569454571.db2.gz LMTVZODTBLTUGD-GFCCVEGCSA-N 0 0 443.529 2.921 50 0 IFAARN COc1ccc(NC(=O)COc2ccccc2C(=O)OCC(=O)NC2CC2)cc1Cl ZINC000003600230 569454759 /nfs/dbraw/zinc/45/47/59/569454759.db2.gz TXSTYQNCXQWSHC-UHFFFAOYSA-N 0 0 432.860 2.802 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000003601498 569454830 /nfs/dbraw/zinc/45/48/30/569454830.db2.gz BZXYOVZCBJERAB-QFIPXVFZSA-N 0 0 440.477 2.974 50 0 IFAARN COc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)coc2c1 ZINC000003609661 569454914 /nfs/dbraw/zinc/45/49/14/569454914.db2.gz ZMZROKKWNKBBNP-UHFFFAOYSA-N 0 0 428.510 2.825 50 0 IFAARN Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000003617923 569455051 /nfs/dbraw/zinc/45/50/51/569455051.db2.gz GSZWEFSGRANURM-QGZVFWFLSA-N 0 0 430.464 2.933 50 0 IFAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NC[C@@H]4CCCO4)cc3[nH]c2=S)c(OC)c1 ZINC000003631349 569455373 /nfs/dbraw/zinc/45/53/73/569455373.db2.gz TVXKEOLTMOXXCR-HNNXBMFYSA-N 0 0 441.509 2.600 50 0 IFAARN C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000031397944 569456266 /nfs/dbraw/zinc/45/62/66/569456266.db2.gz UVRNANPPYOFGDI-LLVKDONJSA-N 0 0 434.290 2.998 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)CC(=O)Nc3ccc(C)cc3)C2)s1 ZINC000031408935 569456332 /nfs/dbraw/zinc/45/63/32/569456332.db2.gz GDPYSCGBXHVDGY-KRWDZBQOSA-N 0 0 449.598 2.863 50 0 IFAARN CN(C(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O)[C@@H]1CCCc2ccccc21 ZINC000031452110 569456519 /nfs/dbraw/zinc/45/65/19/569456519.db2.gz KBEZPCQULNHILH-MRXNPFEDSA-N 0 0 446.429 2.650 50 0 IFAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000031706327 569457033 /nfs/dbraw/zinc/45/70/33/569457033.db2.gz QDLKTTUZMKPPIO-UHFFFAOYSA-N 0 0 445.479 2.727 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1C(=O)CC2(CCCCC2)C1=O ZINC000031760299 569457248 /nfs/dbraw/zinc/45/72/48/569457248.db2.gz XGSGITOSQAAJFI-UHFFFAOYSA-N 0 0 432.546 2.516 50 0 IFAARN COc1ccc(OC)c2c1CN(Cn1nc(N(C(C)=O)C3CC3)sc1=S)C[C@@H]2O ZINC000031783532 569457358 /nfs/dbraw/zinc/45/73/58/569457358.db2.gz LPAGAENGXLXQLU-AWEZNQCLSA-N 0 0 436.559 2.713 50 0 IFAARN Cc1ccccc1CN1CC(=O)N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000031773815 569457360 /nfs/dbraw/zinc/45/73/60/569457360.db2.gz OOQVTUMPDCDCEW-RBUKOAKNSA-N 0 0 449.370 2.772 50 0 IFAARN COC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1F ZINC000031808079 569457568 /nfs/dbraw/zinc/45/75/68/569457568.db2.gz CFUQZSBVSMZTJF-MRXNPFEDSA-N 0 0 425.258 2.532 50 0 IFAARN CCCn1c(=O)c2c3c(sc2nc1SCCn1nc2ccccn2c1=O)CCC3 ZINC000031841948 569458113 /nfs/dbraw/zinc/45/81/13/569458113.db2.gz FKJUPZOUEARQGP-UHFFFAOYSA-N 0 0 427.555 2.958 50 0 IFAARN COC(=O)c1cn(CC(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)c2ccccc12 ZINC000031997778 569458613 /nfs/dbraw/zinc/45/86/13/569458613.db2.gz XDAMUOAPBGWUAO-HSZRJFAPSA-N 0 0 435.524 2.926 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NCCC(C)C)C(=O)[C@]31C ZINC000004081959 569458657 /nfs/dbraw/zinc/45/86/57/569458657.db2.gz XYWBRSAMTKBAQJ-PSLXWICFSA-N 0 0 426.517 2.763 50 0 IFAARN O=C([C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCN(Cc2ccccn2)CC1 ZINC000059037252 569458664 /nfs/dbraw/zinc/45/86/64/569458664.db2.gz HWLHUBMFFJGZSI-SFHVURJKSA-N 0 0 446.473 2.793 50 0 IFAARN NC(=O)CN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3Cc2ccccc2Cl)C1=O ZINC000032074762 569459338 /nfs/dbraw/zinc/45/93/38/569459338.db2.gz HDXUGKTWPLTPDQ-JOCHJYFZSA-N 0 0 435.871 2.695 50 0 IFAARN COC(=O)c1ccc(OCc2noc(C(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000032074773 569459359 /nfs/dbraw/zinc/45/93/59/569459359.db2.gz TWHHFSSOZPTFNL-UHFFFAOYSA-N 0 0 440.431 2.537 50 0 IFAARN COC(=O)CNC(=O)c1nn(-c2ccccc2F)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000032093817 569459799 /nfs/dbraw/zinc/45/97/99/569459799.db2.gz LLOSHJOCQACUOI-UHFFFAOYSA-N 0 0 425.416 2.503 50 0 IFAARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000032094957 569459859 /nfs/dbraw/zinc/45/98/59/569459859.db2.gz OPGLOLYUTULGIH-AOMKIAJQSA-N 0 0 437.496 2.590 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccc(OS(C)(=O)=O)c2)C(C)C)cc1 ZINC000004197325 569460888 /nfs/dbraw/zinc/46/08/88/569460888.db2.gz WSWDGFCIYMNUEF-UHFFFAOYSA-N 0 0 440.543 2.583 50 0 IFAARN CCc1c(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cnn1-c1cccc(Cl)c1 ZINC000032242630 569460947 /nfs/dbraw/zinc/46/09/47/569460947.db2.gz ALUJTCJQXFMKPB-UHFFFAOYSA-N 0 0 431.968 2.761 50 0 IFAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32c3cc(C)cc(C)c3NC2=O)cc1 ZINC000059475825 569461519 /nfs/dbraw/zinc/46/15/19/569461519.db2.gz MTLSHDKGKQPPCH-KKPNIWNPSA-N 0 0 443.503 2.937 50 0 IFAARN CCOc1ccc([C@@H]2c3c(=O)n(C)c(=O)n(C)c3NC(C)=C2C(=O)OCC(C)C)cc1 ZINC000004291705 569461888 /nfs/dbraw/zinc/46/18/88/569461888.db2.gz QJOIGYCHTSZUFD-SFHVURJKSA-N 0 0 427.501 2.513 50 0 IFAARN CCOc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(C)cc4)c3=O)n2)cc1 ZINC000038486649 569462785 /nfs/dbraw/zinc/46/27/85/569462785.db2.gz AMQOLINERWIRBL-UHFFFAOYSA-N 0 0 443.467 2.842 50 0 IFAARN O=c1c2ccccc2n(Cc2nc(-c3ccc4c(c3)OCO4)no2)c(=O)n1Cc1ccco1 ZINC000038486483 569462818 /nfs/dbraw/zinc/46/28/18/569462818.db2.gz BOTOBEBPYMGEST-UHFFFAOYSA-N 0 0 444.403 2.632 50 0 IFAARN COc1ccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2-c2cccnc2)cc1 ZINC000038487699 569462966 /nfs/dbraw/zinc/46/29/66/569462966.db2.gz SAMWSWNRYRIZAI-UHFFFAOYSA-N 0 0 429.436 2.997 50 0 IFAARN COc1ccc(-c2ccc(N3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)nn2)cc1 ZINC000038488102 569462995 /nfs/dbraw/zinc/46/29/95/569462995.db2.gz RWDVZFVTXBHTBI-UHFFFAOYSA-N 0 0 441.495 2.695 50 0 IFAARN COc1ccc(-c2nc(C)cc(=O)n2CC(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000067198529 569464446 /nfs/dbraw/zinc/46/44/46/569464446.db2.gz ZRKDGNLGMOEVRH-UHFFFAOYSA-N 0 0 448.523 2.585 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204889 569464534 /nfs/dbraw/zinc/46/45/34/569464534.db2.gz BRAUZWGWEHHWDU-OAQYLSRUSA-N 0 0 442.466 2.568 50 0 IFAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCCOC)s1 ZINC000008912442 569485013 /nfs/dbraw/zinc/48/50/13/569485013.db2.gz ZOAIHZHBXSFHFV-UHFFFAOYSA-N 0 0 438.980 2.871 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)c(OC)c1 ZINC000067226055 569465209 /nfs/dbraw/zinc/46/52/09/569465209.db2.gz QOMXNKONVJRKPU-CYBMUJFWSA-N 0 0 443.529 2.745 50 0 IFAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4c(C)cccc4Cl)c(=O)c3s2)CC1 ZINC000067225974 569465249 /nfs/dbraw/zinc/46/52/49/569465249.db2.gz GTCNEJBJYZJTHI-UHFFFAOYSA-N 0 0 446.964 2.595 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)c1 ZINC000067226244 569465280 /nfs/dbraw/zinc/46/52/80/569465280.db2.gz SNEURXUUBYLFEA-CYBMUJFWSA-N 0 0 425.514 2.931 50 0 IFAARN COc1cc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)cc(OC)c1 ZINC000067226208 569465300 /nfs/dbraw/zinc/46/53/00/569465300.db2.gz AVIHTIMKUYKEEJ-CYBMUJFWSA-N 0 0 443.529 2.745 50 0 IFAARN Cc1cc2nn(CC(=O)Nc3nccs3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000067239692 569465664 /nfs/dbraw/zinc/46/56/64/569465664.db2.gz QFIPPEDVZNUJHC-UHFFFAOYSA-N 0 0 434.403 2.980 50 0 IFAARN COc1ccc(CNC(=O)c2nnn(Cc3cccc(Br)c3)c2N)cc1OC ZINC000067240139 569465681 /nfs/dbraw/zinc/46/56/81/569465681.db2.gz WGPRYFXKZVDCKP-UHFFFAOYSA-N 0 0 446.305 2.618 50 0 IFAARN CCOC(=O)C1CCN(C(=O)Cn2c(=O)cc(C)nc2Nc2cc(C)cc(C)c2)CC1 ZINC000067246433 569466018 /nfs/dbraw/zinc/46/60/18/569466018.db2.gz BSBHEIHQGSLLPK-UHFFFAOYSA-N 0 0 426.517 2.714 50 0 IFAARN CCOc1ccc(-n2ccn(CC(=O)Nc3cc(Cl)ccc3OC)c(=O)c2=O)cc1 ZINC000067256167 569466054 /nfs/dbraw/zinc/46/60/54/569466054.db2.gz UMKVUEXBCALAKE-UHFFFAOYSA-N 0 0 429.860 2.699 50 0 IFAARN Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)CCN3C(=O)CCCC3=O)ccc1O2 ZINC000038678373 569466637 /nfs/dbraw/zinc/46/66/37/569466637.db2.gz WASRTEMMJQZNTP-UHFFFAOYSA-N 0 0 443.481 2.634 50 0 IFAARN O=C1CN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC(=O)N1CCc1ccccc1 ZINC000067285030 569466774 /nfs/dbraw/zinc/46/67/74/569466774.db2.gz FBJDQTJRVJCWIY-UHFFFAOYSA-N 0 0 429.455 2.953 50 0 IFAARN COc1ccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3cc(C)ccc3C)NC2=O)cc1 ZINC000067288828 569467464 /nfs/dbraw/zinc/46/74/64/569467464.db2.gz KCDFRMSTYYUVHO-JOCHJYFZSA-N 0 0 435.480 2.506 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CN1C2=C(C(=O)OC2)[C@H](c2cc(C)ccc2C)NC1=O ZINC000067288656 569467465 /nfs/dbraw/zinc/46/74/65/569467465.db2.gz OJNOQCIBCCORDZ-NRFANRHFSA-N 0 0 449.463 2.606 50 0 IFAARN Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)N[C@@H]3CCc4ccccc43)C3=C2C(=O)OC3)c1 ZINC000067288901 569467467 /nfs/dbraw/zinc/46/74/67/569467467.db2.gz DJCXHLMRMSEOHT-AUSIDOKSSA-N 0 0 431.492 2.984 50 0 IFAARN CCS(=O)(=O)N1CCCc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)ccc21 ZINC000038700212 569467609 /nfs/dbraw/zinc/46/76/09/569467609.db2.gz QGRYYHHEMUXKRS-INIZCTEOSA-N 0 0 445.516 2.920 50 0 IFAARN CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C(=O)OCC)cc3)[n-]c(=O)c2C1 ZINC000067291717 569467674 /nfs/dbraw/zinc/46/76/74/569467674.db2.gz DXLLJSLDQXQESN-UHFFFAOYSA-N 0 0 430.530 2.858 50 0 IFAARN COc1ccc(CNC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)cc1 ZINC000067301694 569468291 /nfs/dbraw/zinc/46/82/91/569468291.db2.gz VHMYRLCPOFCBDR-UHFFFAOYSA-N 0 0 441.915 2.732 50 0 IFAARN COc1cccc2cc(C(=O)N3CCN(C(=O)[C@H]4C[C@@H]4c4cccs4)CC3)c(=O)oc21 ZINC000038730705 569468341 /nfs/dbraw/zinc/46/83/41/569468341.db2.gz QINHOPIEUKLPGW-HOTGVXAUSA-N 0 0 438.505 2.951 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(F)c2)cc1OC ZINC000067316795 569468418 /nfs/dbraw/zinc/46/84/18/569468418.db2.gz WQJQIJAOBANLNO-UHFFFAOYSA-N 0 0 441.459 2.549 50 0 IFAARN CCCCNC(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000067338495 569468970 /nfs/dbraw/zinc/46/89/70/569468970.db2.gz DWBNHDDIJWVKDW-UHFFFAOYSA-N 0 0 447.605 2.561 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000038835167 569469241 /nfs/dbraw/zinc/46/92/41/569469241.db2.gz KEQSBQCWQIYJGU-QGZVFWFLSA-N 0 0 438.889 2.682 50 0 IFAARN Cc1cc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)ccc1Br ZINC000038850314 569469282 /nfs/dbraw/zinc/46/92/82/569469282.db2.gz QAQGNSOBQRAWHY-MRXNPFEDSA-N 0 0 425.304 2.923 50 0 IFAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000008601929 569469315 /nfs/dbraw/zinc/46/93/15/569469315.db2.gz RQIYRLUMLWAQGT-UHFFFAOYSA-N 0 0 448.932 2.587 50 0 IFAARN Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o1 ZINC000008602268 569469326 /nfs/dbraw/zinc/46/93/26/569469326.db2.gz QTZJIXSVTFQGEQ-GFCCVEGCSA-N 0 0 425.511 2.659 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000008602719 569469333 /nfs/dbraw/zinc/46/93/33/569469333.db2.gz SBCATGLAHWCBJL-MRXNPFEDSA-N 0 0 448.545 2.551 50 0 IFAARN Cc1nc2ccccc2c(=O)n1NC(=O)c1cc2cc(Br)ccc2oc1=O ZINC000008660829 569469757 /nfs/dbraw/zinc/46/97/57/569469757.db2.gz LSZBDRDKOCWJOY-UHFFFAOYSA-N 0 0 426.226 2.958 50 0 IFAARN CCOC(=O)[C@@H](N(C)C(=O)OC(C)(C)C)[C@@]1(O)C(=O)C(c2ccccc2)=C1OC(C)C ZINC000039013285 569470014 /nfs/dbraw/zinc/47/00/14/569470014.db2.gz WJKJYBOQTBBHPA-UZUQRXQVSA-N 0 0 433.501 2.935 50 0 IFAARN COc1ccc(-c2nnn(C3CCN(CC(=O)Nc4ccccc4C)CC3)n2)cc1OC ZINC000008694525 569470020 /nfs/dbraw/zinc/47/00/20/569470020.db2.gz UPDRUPIOJCLRNT-UHFFFAOYSA-N 0 0 436.516 2.941 50 0 IFAARN O=C([C@@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008675408 569470059 /nfs/dbraw/zinc/47/00/59/569470059.db2.gz SRQGQBHTNYAIRK-QFIPXVFZSA-N 0 0 438.505 2.513 50 0 IFAARN CCOC(=O)[C@H](N(C)C(=O)OC(C)(C)C)[C@]1(O)C(=O)C(c2ccccc2)=C1OC(C)C ZINC000039013286 569470080 /nfs/dbraw/zinc/47/00/80/569470080.db2.gz WJKJYBOQTBBHPA-SBUREZEXSA-N 0 0 433.501 2.935 50 0 IFAARN CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1-c1ccc(OC)cc1 ZINC000008694859 569470116 /nfs/dbraw/zinc/47/01/16/569470116.db2.gz FGXUGEIXUOHKPY-UHFFFAOYSA-N 0 0 435.487 2.632 50 0 IFAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC(=O)Nc1ccccc1F ZINC000008708700 569470669 /nfs/dbraw/zinc/47/06/69/569470669.db2.gz SEKFQYVJJATMIN-UHFFFAOYSA-N 0 0 446.438 2.969 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008717993 569471255 /nfs/dbraw/zinc/47/12/55/569471255.db2.gz ZWIVRZOCEJWYBV-OAQYLSRUSA-N 0 0 446.550 2.892 50 0 IFAARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc2c(cc1Br)OCCO2 ZINC000008723502 569471882 /nfs/dbraw/zinc/47/18/82/569471882.db2.gz QQJUGSNHPNOXIR-HXUWFJFHSA-N 0 0 445.269 2.950 50 0 IFAARN COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O ZINC000008724075 569471978 /nfs/dbraw/zinc/47/19/78/569471978.db2.gz ZCOFSUAQKHIGMY-DEOSSOPVSA-N 0 0 435.480 2.558 50 0 IFAARN Cc1nc2cc(C(=O)OCC(=O)NCCCN3CCCC3=O)ccc2n1-c1ccccc1 ZINC000008724994 569472046 /nfs/dbraw/zinc/47/20/46/569472046.db2.gz TWZDHAFLENHEDR-UHFFFAOYSA-N 0 0 434.496 2.619 50 0 IFAARN CCOc1ccc(OCCNC(=O)CN2C(=O)N[C@](CC)(c3ccc(F)cc3)C2=O)cc1 ZINC000008727986 569472387 /nfs/dbraw/zinc/47/23/87/569472387.db2.gz SGIGDSNNDSIRCW-HSZRJFAPSA-N 0 0 443.475 2.577 50 0 IFAARN Cc1nn(CC(=O)N[C@@H](C)c2ccco2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000008735140 569472615 /nfs/dbraw/zinc/47/26/15/569472615.db2.gz VZVPDWXXROMXIB-AWEZNQCLSA-N 0 0 428.514 2.722 50 0 IFAARN O=C(Cn1nnc2ccccc21)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000008735719 569472671 /nfs/dbraw/zinc/47/26/71/569472671.db2.gz GHXOCYQARCYBAZ-UHFFFAOYSA-N 0 0 429.436 2.729 50 0 IFAARN CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)C1=O ZINC000008752078 569473518 /nfs/dbraw/zinc/47/35/18/569473518.db2.gz KDSOKXDQDDTZKQ-OVWNDWIMSA-N 0 0 449.558 2.767 50 0 IFAARN O=C(CON1C(=O)c2ccccc2C1=O)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000008762123 569474277 /nfs/dbraw/zinc/47/42/77/569474277.db2.gz SMZNEMOZGZRKGT-IVZQSRNASA-N 0 0 430.416 2.891 50 0 IFAARN O=C(NC[C@@H]1CCCO1)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O ZINC000008767002 569474854 /nfs/dbraw/zinc/47/48/54/569474854.db2.gz UDJZEDOQUIYFFJ-HRAATJIYSA-N 0 0 432.480 2.662 50 0 IFAARN CNC(=O)c1cccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000008767430 569474893 /nfs/dbraw/zinc/47/48/93/569474893.db2.gz FSKTYCXUUCNWRI-UHFFFAOYSA-N 0 0 435.450 2.611 50 0 IFAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000008769845 569475077 /nfs/dbraw/zinc/47/50/77/569475077.db2.gz RZUZITOAACUEBW-UHFFFAOYSA-N 0 0 438.553 2.944 50 0 IFAARN CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000008770889 569475171 /nfs/dbraw/zinc/47/51/71/569475171.db2.gz DQHBYLXPJABSJH-KRWDZBQOSA-N 0 0 443.525 2.940 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 ZINC000008772355 569475287 /nfs/dbraw/zinc/47/52/87/569475287.db2.gz WWIVNMYYXVGIMV-LMKMVOKYSA-N 0 0 433.508 2.972 50 0 IFAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NCCc1ccc(Cl)cc1Cl ZINC000008780324 569475587 /nfs/dbraw/zinc/47/55/87/569475587.db2.gz BEPHKSQGWPJAHR-GFCCVEGCSA-N 0 0 442.368 2.751 50 0 IFAARN CCN1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2C(=O)OC)C1 ZINC000008793105 569476365 /nfs/dbraw/zinc/47/63/65/569476365.db2.gz NRVHWOLWXWFRSU-UHFFFAOYSA-N 0 0 441.509 2.818 50 0 IFAARN COc1ccc(CNC(=O)NCCS(=O)(=O)c2c(C)n(C)c3ccccc32)cc1OC ZINC000008808506 569476485 /nfs/dbraw/zinc/47/64/85/569476485.db2.gz KYGPKAZPMXQWNP-UHFFFAOYSA-N 0 0 445.541 2.777 50 0 IFAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000008825784 569477428 /nfs/dbraw/zinc/47/74/28/569477428.db2.gz JWNLRCGUGAEITG-UHFFFAOYSA-N 0 0 429.531 2.529 50 0 IFAARN O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc21)N[C@H]1CCS(=O)(=O)C1 ZINC000008862487 569480236 /nfs/dbraw/zinc/48/02/36/569480236.db2.gz NHDXQTQIOXIBEW-ZDUSSCGKSA-N 0 0 437.543 2.893 50 0 IFAARN COCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C ZINC000008876197 569481051 /nfs/dbraw/zinc/48/10/51/569481051.db2.gz MEUBKRROHAQNJE-NJNPRVFISA-N 0 0 447.601 2.719 50 0 IFAARN C[C@@H](NC(=O)COC(=O)CNC(=O)c1cccc(Br)c1)c1ccc(F)cc1 ZINC000008880211 569481457 /nfs/dbraw/zinc/48/14/57/569481457.db2.gz YTHYFTDKKPBLBT-GFCCVEGCSA-N 0 0 437.265 2.739 50 0 IFAARN CCOc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1OCC ZINC000039476912 569481642 /nfs/dbraw/zinc/48/16/42/569481642.db2.gz OJANBFDBXAHQDJ-UHFFFAOYSA-N 0 0 440.452 2.933 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)N(C)Cc1cccs1 ZINC000039990652 569482311 /nfs/dbraw/zinc/48/23/11/569482311.db2.gz DRKBKUPBBWANHJ-QFIPXVFZSA-N 0 0 437.569 2.682 50 0 IFAARN COc1ccc(-c2nc(CN3CCN(CC(=O)N4CCCC4)CC3)cs2)c(OC)c1 ZINC000039987606 569482323 /nfs/dbraw/zinc/48/23/23/569482323.db2.gz FVHCDPSQSUMXLU-UHFFFAOYSA-N 0 0 430.574 2.567 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)N(C)Cc1ccsc1 ZINC000039990658 569482411 /nfs/dbraw/zinc/48/24/11/569482411.db2.gz PEYYYNQPTCKPEY-QFIPXVFZSA-N 0 0 437.569 2.682 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000040005099 569482460 /nfs/dbraw/zinc/48/24/60/569482460.db2.gz VROPWWVDYFWFSQ-CYBMUJFWSA-N 0 0 435.406 2.649 50 0 IFAARN CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000040013351 569482579 /nfs/dbraw/zinc/48/25/79/569482579.db2.gz INUSQJVFCHNDER-LBPRGKRZSA-N 0 0 437.495 2.694 50 0 IFAARN CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000040013349 569482585 /nfs/dbraw/zinc/48/25/85/569482585.db2.gz INUSQJVFCHNDER-GFCCVEGCSA-N 0 0 437.495 2.694 50 0 IFAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)Cc2sc(=S)[nH]c2C)CC1 ZINC000040033895 569483183 /nfs/dbraw/zinc/48/31/83/569483183.db2.gz POGYATFEZORMEW-KRWDZBQOSA-N 0 0 439.990 2.995 50 0 IFAARN O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1C[C@@H](O)c1ccccc1 ZINC000040034345 569483199 /nfs/dbraw/zinc/48/31/99/569483199.db2.gz ZQAIGZSIAVRORW-OAQYLSRUSA-N 0 0 442.475 2.783 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000008889207 569483245 /nfs/dbraw/zinc/48/32/45/569483245.db2.gz NDFAWBDPQSRVPZ-OAQYLSRUSA-N 0 0 445.497 2.566 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000008889208 569483251 /nfs/dbraw/zinc/48/32/51/569483251.db2.gz NDFAWBDPQSRVPZ-NRFANRHFSA-N 0 0 445.497 2.566 50 0 IFAARN COc1cc(CCC2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc(OC)c1 ZINC000040039963 569483373 /nfs/dbraw/zinc/48/33/73/569483373.db2.gz UCIKUWQTZDZGMB-IRXDYDNUSA-N 0 0 426.579 2.702 50 0 IFAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000040039976 569483390 /nfs/dbraw/zinc/48/33/90/569483390.db2.gz UQFSKFGKHYSQAO-UHFFFAOYSA-N 0 0 428.514 2.750 50 0 IFAARN CCc1ccc(-c2nc(SCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)n[nH]2)cc1 ZINC000008899579 569484064 /nfs/dbraw/zinc/48/40/64/569484064.db2.gz UQVQHOZFZWEYBA-UHFFFAOYSA-N 0 0 442.545 2.658 50 0 IFAARN O=C(NCc1ccccn1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000008900334 569484088 /nfs/dbraw/zinc/48/40/88/569484088.db2.gz QVOCYMOYSZNLFY-UHFFFAOYSA-N 0 0 439.493 2.974 50 0 IFAARN Cc1nc(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[nH]c1Cc1ccccc1 ZINC000008900153 569484124 /nfs/dbraw/zinc/48/41/24/569484124.db2.gz BATMORRCTRNXOK-UHFFFAOYSA-N 0 0 441.557 2.933 50 0 IFAARN Cc1[nH]c(=S)sc1CC(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000040051636 569484498 /nfs/dbraw/zinc/48/44/98/569484498.db2.gz RCXYFFDDHTUGRF-UHFFFAOYSA-N 0 0 427.498 2.869 50 0 IFAARN COc1ccc(OCC(=O)Nc2c3c(nn2-c2ccc(C)cc2)CS(=O)(=O)C3)cc1 ZINC000008910513 569484785 /nfs/dbraw/zinc/48/47/85/569484785.db2.gz DFOGNMRCNXVZIE-UHFFFAOYSA-N 0 0 427.482 2.635 50 0 IFAARN CC1(C)O[C@H]2O[C@H](C(=O)Oc3ccc(Br)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000008917736 569486123 /nfs/dbraw/zinc/48/61/23/569486123.db2.gz WLZITUKKHHQEKY-WZYWGQKZSA-N 0 0 429.263 2.751 50 0 IFAARN COc1ccc(CCN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cc1OC ZINC000040086858 569486770 /nfs/dbraw/zinc/48/67/70/569486770.db2.gz VJVJITQNHQHHTO-UHFFFAOYSA-N 0 0 449.573 2.532 50 0 IFAARN NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008928322 569487388 /nfs/dbraw/zinc/48/73/88/569487388.db2.gz PZWUHFAYVLUBDC-HNNXBMFYSA-N 0 0 447.900 2.977 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000008931711 569487528 /nfs/dbraw/zinc/48/75/28/569487528.db2.gz RETALKMBXJVUGE-UHFFFAOYSA-N 0 0 448.479 2.877 50 0 IFAARN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O ZINC000008937039 569488124 /nfs/dbraw/zinc/48/81/24/569488124.db2.gz OFKMYEXWYVBVCT-JOCHJYFZSA-N 0 0 429.423 2.640 50 0 IFAARN COc1ccc(C(=O)NCCn2ncc3c2nc(SC)nc3NC(C)C)cc1OC ZINC000008941354 569488652 /nfs/dbraw/zinc/48/86/52/569488652.db2.gz YOJWJQSBHFAYJQ-UHFFFAOYSA-N 0 0 430.534 2.816 50 0 IFAARN CSc1nc2c(cnn2CCNC(=O)COc2ccccc2F)c(NCC(C)C)n1 ZINC000008942774 569488664 /nfs/dbraw/zinc/48/86/64/569488664.db2.gz CTAAIWTWHODVND-UHFFFAOYSA-N 0 0 432.525 2.950 50 0 IFAARN COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000008942146 569488711 /nfs/dbraw/zinc/48/87/11/569488711.db2.gz MYWZLJKVZVFIAZ-INIZCTEOSA-N 0 0 430.526 2.966 50 0 IFAARN COc1ccc([C@H]2CCCN2CC(=O)N2CCN(C(=O)c3cccs3)CC2)c(OC)c1 ZINC000008943978 569488840 /nfs/dbraw/zinc/48/88/40/569488840.db2.gz JSRJBOIAMWQLBB-LJQANCHMSA-N 0 0 443.569 2.887 50 0 IFAARN NC(=O)c1ccn(-c2cccc(NC(=O)C3(NC(=O)NCc4ccccc4)CCCC3)c2)n1 ZINC000040115332 569489212 /nfs/dbraw/zinc/48/92/12/569489212.db2.gz QTGPQYQITMVFSM-UHFFFAOYSA-N 0 0 446.511 2.722 50 0 IFAARN Cc1nccn1-c1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cn1 ZINC000040118524 569489291 /nfs/dbraw/zinc/48/92/91/569489291.db2.gz IKEFLJGQYPLHLP-UHFFFAOYSA-N 0 0 437.481 2.900 50 0 IFAARN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCC(C)C)C1 ZINC000040121295 569489475 /nfs/dbraw/zinc/48/94/75/569489475.db2.gz BACVVMRGDHHJHW-AZUAARDMSA-N 0 0 429.561 2.701 50 0 IFAARN CCCOc1ccc(CNC(=O)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1OC ZINC000040122654 569489664 /nfs/dbraw/zinc/48/96/64/569489664.db2.gz IPDGHUOCMKLBEH-UHFFFAOYSA-N 0 0 429.448 2.763 50 0 IFAARN CC(C)(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000040128507 569489777 /nfs/dbraw/zinc/48/97/77/569489777.db2.gz IXWYCWXNFQKBTF-UHFFFAOYSA-N 0 0 425.348 2.733 50 0 IFAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 ZINC000008954961 569490054 /nfs/dbraw/zinc/49/00/54/569490054.db2.gz DBYKDIRXWRRGGV-UHFFFAOYSA-N 0 0 446.554 2.545 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cc(-c3nnco3)ccc1=O)C[C@H](C)CC2 ZINC000040139002 569490773 /nfs/dbraw/zinc/49/07/73/569490773.db2.gz HWJKIZRGEBRLNE-GFCCVEGCSA-N 0 0 442.497 2.900 50 0 IFAARN Cc1oc2cc(OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 ZINC000008965878 569491542 /nfs/dbraw/zinc/49/15/42/569491542.db2.gz PBPWNBXZMWHDPO-KRWDZBQOSA-N 0 0 441.505 2.793 50 0 IFAARN C[C@H](SCc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000040141612 569491733 /nfs/dbraw/zinc/49/17/33/569491733.db2.gz NYUDLAKMMNUHAG-INIZCTEOSA-N 0 0 428.583 2.722 50 0 IFAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)C(=O)N(C4CCCC4)C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000008966197 569491741 /nfs/dbraw/zinc/49/17/41/569491741.db2.gz RTBKXEJWNHSLHD-LJQANCHMSA-N 0 0 448.479 2.999 50 0 IFAARN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000040143532 569491989 /nfs/dbraw/zinc/49/19/89/569491989.db2.gz SDEZFFJQZSEOHS-UHFFFAOYSA-N 0 0 427.480 2.703 50 0 IFAARN COc1cc(Br)c(S(=O)(=O)NCCN2CCc3ccccc32)cc1OC ZINC000040149887 569492669 /nfs/dbraw/zinc/49/26/69/569492669.db2.gz TYDWNDDYFQIBBB-UHFFFAOYSA-N 0 0 441.347 2.807 50 0 IFAARN O=C(c1ccc(-c2cnco2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000040150840 569493221 /nfs/dbraw/zinc/49/32/21/569493221.db2.gz ISFFWKSYLPHMEK-UHFFFAOYSA-N 0 0 433.436 2.767 50 0 IFAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)Nc2nncs2)C1 ZINC000040151024 569493232 /nfs/dbraw/zinc/49/32/32/569493232.db2.gz WLZGCOXLOTZHAH-CQSZACIVSA-N 0 0 435.937 2.579 50 0 IFAARN Cc1cc(NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)ccc1-n1cnnn1 ZINC000040151139 569493276 /nfs/dbraw/zinc/49/32/76/569493276.db2.gz CPKDZTUNYPFUEI-UHFFFAOYSA-N 0 0 437.479 2.670 50 0 IFAARN NC(=O)[C@H]1CCCN1C(=O)C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000040151681 569493351 /nfs/dbraw/zinc/49/33/51/569493351.db2.gz MCWQNPKDOFHFAZ-JOCHJYFZSA-N 0 0 435.524 2.594 50 0 IFAARN CNC(=O)c1cc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)ccc1Cl ZINC000040151957 569493376 /nfs/dbraw/zinc/49/33/76/569493376.db2.gz ZEVMFLFXVIYUHF-QKVFXAPYSA-N 0 0 434.924 2.775 50 0 IFAARN COC(=O)c1cnc(N[C@H](C)c2cc3ccccc3o2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000040153467 569493612 /nfs/dbraw/zinc/49/36/12/569493612.db2.gz DWLPXXURLXFIRP-CQSZACIVSA-N 0 0 445.497 2.808 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)o1 ZINC000040154137 569493712 /nfs/dbraw/zinc/49/37/12/569493712.db2.gz VXDQMARQJDZYLW-UHFFFAOYSA-N 0 0 435.527 2.573 50 0 IFAARN O=C(NCCc1ccccc1F)C1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000040154765 569493793 /nfs/dbraw/zinc/49/37/93/569493793.db2.gz UUOWXGZARPJRDQ-UHFFFAOYSA-N 0 0 440.519 2.601 50 0 IFAARN CN1CC(=O)Nc2cc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)ccc21 ZINC000040155421 569493965 /nfs/dbraw/zinc/49/39/65/569493965.db2.gz QOJJXEGYYBBTII-UHFFFAOYSA-N 0 0 435.480 2.581 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC000040156350 569494075 /nfs/dbraw/zinc/49/40/75/569494075.db2.gz ZAXGAOKXBYGWSP-KRWDZBQOSA-N 0 0 446.548 2.518 50 0 IFAARN CSCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000040156179 569494128 /nfs/dbraw/zinc/49/41/28/569494128.db2.gz GJQRZPAHKGJJOY-KXBFYZLASA-N 0 0 446.598 2.981 50 0 IFAARN COCCN(Cc1ccccn1)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000040157779 569494374 /nfs/dbraw/zinc/49/43/74/569494374.db2.gz VAXJHOQVUDSLKI-UHFFFAOYSA-N 0 0 431.558 2.853 50 0 IFAARN Nn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nnc1-c1cccs1 ZINC000008981033 569494394 /nfs/dbraw/zinc/49/43/94/569494394.db2.gz GGKODODNZWSCGT-UHFFFAOYSA-N 0 0 432.922 2.685 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)NCCc3cccs3)CC2)cc1 ZINC000008981694 569494442 /nfs/dbraw/zinc/49/44/42/569494442.db2.gz KLGPSTSQUQRWQZ-SFHVURJKSA-N 0 0 435.615 2.500 50 0 IFAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000040159114 569494667 /nfs/dbraw/zinc/49/46/67/569494667.db2.gz AYXMUKNHXZBMML-STQMWFEESA-N 0 0 440.905 2.586 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccs2)c1 ZINC000040159460 569494723 /nfs/dbraw/zinc/49/47/23/569494723.db2.gz AUQVZZHPDJPGQH-UHFFFAOYSA-N 0 0 436.603 2.783 50 0 IFAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000040161511 569495212 /nfs/dbraw/zinc/49/52/12/569495212.db2.gz DGRKSDUNONBGIQ-MRXNPFEDSA-N 0 0 442.459 2.852 50 0 IFAARN O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCC1)Cc1ccccn1 ZINC000008991692 569495332 /nfs/dbraw/zinc/49/53/32/569495332.db2.gz XYKCMJBTYSVREK-UHFFFAOYSA-N 0 0 440.953 2.500 50 0 IFAARN CCOc1ncccc1C(=O)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccccn1 ZINC000008992373 569495355 /nfs/dbraw/zinc/49/53/55/569495355.db2.gz ULDIDWOCMHADCR-UHFFFAOYSA-N 0 0 446.573 2.724 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)Cn1c2cccnc2c(=O)n(Cc2cccnc2)c1=O ZINC000009001244 569495966 /nfs/dbraw/zinc/49/59/66/569495966.db2.gz XSJUWSYWUKVXKJ-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN O=C(Cn1c2cccnc2c(=O)n(Cc2cccnc2)c1=O)Nc1cccc2ccccc21 ZINC000009001302 569496011 /nfs/dbraw/zinc/49/60/11/569496011.db2.gz YPWYMRNWFNDLHE-UHFFFAOYSA-N 0 0 437.459 2.793 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1c2cccnc2c(=O)n(Cc2ccncc2)c1=O ZINC000009001548 569496014 /nfs/dbraw/zinc/49/60/14/569496014.db2.gz YELUZDWRXWNGHG-UHFFFAOYSA-N 0 0 429.480 2.511 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1 ZINC000009005357 569496152 /nfs/dbraw/zinc/49/61/52/569496152.db2.gz PFRDRMPZDPFLTG-NRFANRHFSA-N 0 0 446.550 2.892 50 0 IFAARN COc1ccc(CCC(=O)NCCn2ncc3c2ncn(Cc2cccc(C)c2)c3=O)cc1 ZINC000009016214 569496785 /nfs/dbraw/zinc/49/67/85/569496785.db2.gz JDDHXMHKLKDVDH-UHFFFAOYSA-N 0 0 445.523 2.707 50 0 IFAARN COC(=O)c1ccc(NC(=O)C(=O)NC[C@](O)(c2ccsc2)c2cccs2)cc1 ZINC000245108377 569497384 /nfs/dbraw/zinc/49/73/84/569497384.db2.gz SUFAVKQDEAAAID-FQEVSTJZSA-N 0 0 430.507 2.587 50 0 IFAARN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@](O)(c2ccsc2)c2cccs2)cc1 ZINC000245108378 569497471 /nfs/dbraw/zinc/49/74/71/569497471.db2.gz SUFAVKQDEAAAID-HXUWFJFHSA-N 0 0 430.507 2.587 50 0 IFAARN COc1ccc2cnn(CC(=O)Nc3ccc(Br)cc3OC)c(=O)c2c1OC ZINC000040268439 569497551 /nfs/dbraw/zinc/49/75/51/569497551.db2.gz RQLDPQYXASDOFX-UHFFFAOYSA-N 0 0 448.273 2.824 50 0 IFAARN Cc1cc(N2C[C@H](C(=O)N3CCC[C@@H](C4OCCO4)C3)CC2=O)ccc1Br ZINC000069232388 569497775 /nfs/dbraw/zinc/49/77/75/569497775.db2.gz LYXIZWWAUXWTRB-HUUCEWRRSA-N 0 0 437.334 2.722 50 0 IFAARN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cn1nnc2ccccc2c1=O ZINC000009048264 569498507 /nfs/dbraw/zinc/49/85/07/569498507.db2.gz IORMKVVMCUPZNT-UHFFFAOYSA-N 0 0 439.475 2.525 50 0 IFAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)cc(OC)c1 ZINC000040309857 569498676 /nfs/dbraw/zinc/49/86/76/569498676.db2.gz XVKLSEKTYYXKGR-AZUAARDMSA-N 0 0 430.505 2.672 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(CN(C)CC(=O)Nc2ccccc2Br)c1 ZINC000009054451 569498920 /nfs/dbraw/zinc/49/89/20/569498920.db2.gz RDCLOFYHJBGKRD-UHFFFAOYSA-N 0 0 440.363 2.770 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)n1-c1ccccc1N ZINC000009060469 569499398 /nfs/dbraw/zinc/49/93/98/569499398.db2.gz HUZZZKVPDXFTIM-DHZHZOJOSA-N 0 0 426.480 2.743 50 0 IFAARN O=C(NCc1ccncc1)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]13)O2 ZINC000009061067 569499544 /nfs/dbraw/zinc/49/95/44/569499544.db2.gz NUDFDUMBRMRBAI-NEYJZJCJSA-N 0 0 429.398 2.703 50 0 IFAARN O=C(NCc1ccncc1)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 ZINC000009061068 569499579 /nfs/dbraw/zinc/49/95/79/569499579.db2.gz NUDFDUMBRMRBAI-OEMYIYORSA-N 0 0 429.398 2.703 50 0 IFAARN COCCN1C(=S)N(c2cc(C(F)(F)F)ccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000009061177 569499629 /nfs/dbraw/zinc/49/96/29/569499629.db2.gz HQBOKXDQAJGRPX-OLZOCXBDSA-N 0 0 428.885 2.578 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)C1 ZINC000040356078 569499936 /nfs/dbraw/zinc/49/99/36/569499936.db2.gz PNSWUKNRBBJRMJ-CYBMUJFWSA-N 0 0 447.513 2.828 50 0 IFAARN Cc1cc(NC(=O)C(=O)NCc2ccccc2Cl)n(-c2nc(C(C)C)cc(=O)[nH]2)n1 ZINC000009089610 569500976 /nfs/dbraw/zinc/50/09/76/569500976.db2.gz MXDCYMMXSPLVMD-UHFFFAOYSA-N 0 0 428.880 2.708 50 0 IFAARN Cc1ccccc1Cn1c(=O)c(C(=O)NCc2cccc(F)c2)nn(-c2ccccc2)c1=O ZINC000040402883 569501700 /nfs/dbraw/zinc/50/17/00/569501700.db2.gz UBKJLAUTOJFGSH-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN COc1ccc(OC)c([C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C(=O)N2CCCC2)c1 ZINC000245279954 569502074 /nfs/dbraw/zinc/50/20/74/569502074.db2.gz KYNDDQBBLJLNNH-LEWJYISDSA-N 0 0 444.553 2.731 50 0 IFAARN COc1cccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(OC)c(C)c2)c1 ZINC000009110215 569502138 /nfs/dbraw/zinc/50/21/38/569502138.db2.gz AAIGCEWHGJXFHD-UHFFFAOYSA-N 0 0 445.479 2.668 50 0 IFAARN COCCn1c(=O)c2c(ncn2CC(=O)c2ccc(C)cc2C)n(-c2ccc(C)cc2)c1=O ZINC000040416886 569502245 /nfs/dbraw/zinc/50/22/45/569502245.db2.gz KGRJVSMSLRSWJF-UHFFFAOYSA-N 0 0 446.507 2.803 50 0 IFAARN O=C(COc1ccc(-c2ccccc2)cc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000009112891 569502438 /nfs/dbraw/zinc/50/24/38/569502438.db2.gz YEEGLBSJSOXUPW-RBBKRZOGSA-N 0 0 429.538 2.927 50 0 IFAARN CCCCCn1nc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c2ccccc2c1=O ZINC000009120499 569503910 /nfs/dbraw/zinc/50/39/10/569503910.db2.gz NSADUIKYBPQFRL-UHFFFAOYSA-N 0 0 442.497 2.543 50 0 IFAARN CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 ZINC000009123805 569504231 /nfs/dbraw/zinc/50/42/31/569504231.db2.gz FWHWUPWANJGDDO-UHFFFAOYSA-N 0 0 431.496 2.804 50 0 IFAARN O=C(COc1c(Br)cc(Br)c2cccnc21)N1CCNC1=O ZINC000009125596 569504696 /nfs/dbraw/zinc/50/46/96/569504696.db2.gz IBENAOIXTLDBHE-UHFFFAOYSA-N 0 0 429.068 2.690 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O ZINC000009126109 569504830 /nfs/dbraw/zinc/50/48/30/569504830.db2.gz CAPPVAZZCSPXMB-FQEVSTJZSA-N 0 0 433.823 2.656 50 0 IFAARN CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000009126514 569504917 /nfs/dbraw/zinc/50/49/17/569504917.db2.gz MYJKVPRTJOQBGF-OAQYLSRUSA-N 0 0 441.553 2.638 50 0 IFAARN CCOc1ccc(-n2c(-c3cccc(OC)c3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000009126718 569505007 /nfs/dbraw/zinc/50/50/07/569505007.db2.gz VSSGBPGXXSRTGW-UHFFFAOYSA-N 0 0 445.479 2.750 50 0 IFAARN C[C@@H]1Cc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009127033 569505125 /nfs/dbraw/zinc/50/51/25/569505125.db2.gz CVINWXYRWXVYEL-MRXNPFEDSA-N 0 0 433.961 2.624 50 0 IFAARN Cc1sc2[nH]c(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)nc(=O)c2c1C ZINC000009128174 569505381 /nfs/dbraw/zinc/50/53/81/569505381.db2.gz KWDBIQFXXXJECX-UHFFFAOYSA-N 0 0 434.568 2.981 50 0 IFAARN COC(=O)c1cc(NC(=O)c2ccc(F)cc2)c(=O)n2c(=O)c3c(C)c(C)sc3[nH]c12 ZINC000009128779 569505524 /nfs/dbraw/zinc/50/55/24/569505524.db2.gz HRMSMFNGNQTYQH-UHFFFAOYSA-N 0 0 441.440 2.997 50 0 IFAARN COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4cccc(F)c4N4CCC[C@@H]43)C2=O)cc1 ZINC000009128988 569505679 /nfs/dbraw/zinc/50/56/79/569505679.db2.gz SAIOMVGMCIZMNJ-DVECYGJZSA-N 0 0 437.471 2.667 50 0 IFAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)N1CCCC1 ZINC000009129368 569505684 /nfs/dbraw/zinc/50/56/84/569505684.db2.gz IZANZQOPQWMILJ-UHFFFAOYSA-N 0 0 436.559 2.626 50 0 IFAARN Cn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)NCc1ccc(F)cc1 ZINC000040454767 569506502 /nfs/dbraw/zinc/50/65/02/569506502.db2.gz PTAOGSDVZLIJIE-UHFFFAOYSA-N 0 0 433.534 2.538 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1ccc(F)c(Cl)c1 ZINC000040478089 569506694 /nfs/dbraw/zinc/50/66/94/569506694.db2.gz QIUPUPRNTWPPGO-UHFFFAOYSA-N 0 0 448.792 2.746 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)c1 ZINC000040478057 569506700 /nfs/dbraw/zinc/50/67/00/569506700.db2.gz BRORQOQVSSWBFF-UHFFFAOYSA-N 0 0 436.859 2.531 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O)Nc1ccc(F)c(Cl)c1 ZINC000040478207 569506756 /nfs/dbraw/zinc/50/67/56/569506756.db2.gz ZRHUQMZJRAXQKO-UHFFFAOYSA-N 0 0 430.802 2.607 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCO)Cc2ccc(Cl)cc2Cl)cc1 ZINC000009144614 569507304 /nfs/dbraw/zinc/50/73/04/569507304.db2.gz PWLDERWYUUMIIV-UHFFFAOYSA-N 0 0 445.368 2.991 50 0 IFAARN COc1ccc(CNC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000009152808 569507879 /nfs/dbraw/zinc/50/78/79/569507879.db2.gz CSUKHLBQGIDZQU-KGLIPLIRSA-N 0 0 448.566 2.997 50 0 IFAARN COc1ccc(CNC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000009152806 569507896 /nfs/dbraw/zinc/50/78/96/569507896.db2.gz CSUKHLBQGIDZQU-KBPBESRZSA-N 0 0 448.566 2.997 50 0 IFAARN CCOc1ccc(CCNc2c(=O)c(=O)c2-c2ccc3c(c2)OCC(=O)N3)cc1OCC ZINC000009153126 569507969 /nfs/dbraw/zinc/50/79/69/569507969.db2.gz BDVMRCNCWCVREB-UHFFFAOYSA-N 0 0 436.464 2.733 50 0 IFAARN CC(=O)c1cccc(NS(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)c1 ZINC000009153160 569508000 /nfs/dbraw/zinc/50/80/00/569508000.db2.gz OMNAUPHPCWSSHB-UHFFFAOYSA-N 0 0 449.488 2.924 50 0 IFAARN CCOC(=O)c1cnc(SCC(=O)Nc2cc(Cl)c(OC)cc2OC)nc1N ZINC000009153485 569508108 /nfs/dbraw/zinc/50/81/08/569508108.db2.gz DFZYUCKPBQXWNH-UHFFFAOYSA-N 0 0 426.882 2.637 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2ccc(Cl)cc2)c1=O)CCCN3Cc1ccco1 ZINC000009156924 569508363 /nfs/dbraw/zinc/50/83/63/569508363.db2.gz AHPLHLPWDCIITA-UHFFFAOYSA-N 0 0 425.876 2.602 50 0 IFAARN Cn1c2ccccc2c(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c1-c1ccccc1 ZINC000009157783 569508416 /nfs/dbraw/zinc/50/84/16/569508416.db2.gz TYLYLCFWVGQRSU-UHFFFAOYSA-N 0 0 433.464 2.902 50 0 IFAARN Cn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nnc1-c1ccco1 ZINC000009166539 569508896 /nfs/dbraw/zinc/50/88/96/569508896.db2.gz FTXXEBSDKAXSHX-UHFFFAOYSA-N 0 0 447.542 2.590 50 0 IFAARN Cc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000009174236 569509651 /nfs/dbraw/zinc/50/96/51/569509651.db2.gz HBMGXPJNYFZMDD-HNNXBMFYSA-N 0 0 433.917 2.711 50 0 IFAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000009180990 569509768 /nfs/dbraw/zinc/50/97/68/569509768.db2.gz OJBIWGHABJYQEN-QHCPKHFHSA-N 0 0 431.488 2.782 50 0 IFAARN CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cc(Br)ccc1O ZINC000009189642 569510447 /nfs/dbraw/zinc/51/04/47/569510447.db2.gz QANKUGBJQUJPGD-GFCCVEGCSA-N 0 0 441.351 2.820 50 0 IFAARN CCOCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl ZINC000009192723 569510742 /nfs/dbraw/zinc/51/07/42/569510742.db2.gz KDRQOJZQTNTYPX-UHFFFAOYSA-N 0 0 440.331 2.627 50 0 IFAARN COc1ccc(-n2nnnc2C2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)cc1 ZINC000009199761 569511081 /nfs/dbraw/zinc/51/10/81/569511081.db2.gz YVPSIFFBGCAWCG-UHFFFAOYSA-N 0 0 431.493 2.687 50 0 IFAARN NC(=O)Cn1c(CSc2nnc(C3CC3)n2-c2ccccc2)nc2ccccc2c1=O ZINC000009209037 569511485 /nfs/dbraw/zinc/51/14/85/569511485.db2.gz IDRPLWSOKZIUDJ-UHFFFAOYSA-N 0 0 432.509 2.632 50 0 IFAARN O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000009211495 569511781 /nfs/dbraw/zinc/51/17/81/569511781.db2.gz YOHNVUNHVCQJAU-UHFFFAOYSA-N 0 0 447.516 2.667 50 0 IFAARN COc1ccc(NC(=O)Cn2nnc(-c3nc(-c4ccc(C)cc4)no3)c2N)cc1OC ZINC000009211582 569511833 /nfs/dbraw/zinc/51/18/33/569511833.db2.gz DWRLMJMBPBFATC-UHFFFAOYSA-N 0 0 435.444 2.542 50 0 IFAARN Cc1c(NC(=O)CN2CCc3cc4c(cc3C2)OCCCO4)c(=O)n(-c2ccccc2)n1C ZINC000009215963 569512068 /nfs/dbraw/zinc/51/20/68/569512068.db2.gz AOPXOENYAZRWIW-UHFFFAOYSA-N 0 0 448.523 2.643 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1=O ZINC000009216793 569512223 /nfs/dbraw/zinc/51/22/23/569512223.db2.gz ZDMXCTQBVISBQB-QFIPXVFZSA-N 0 0 435.463 2.780 50 0 IFAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NC4CC4)c3)cc2NC1=O ZINC000009217161 569512277 /nfs/dbraw/zinc/51/22/77/569512277.db2.gz AHNBOUTXCYABJP-JTQLQIEISA-N 0 0 435.889 2.752 50 0 IFAARN O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1cccc(Cl)c1)N1CCCC1 ZINC000009218160 569512352 /nfs/dbraw/zinc/51/23/52/569512352.db2.gz NLOIMCYLSYTILL-UHFFFAOYSA-N 0 0 426.947 2.876 50 0 IFAARN Cc1ccc(C)c(NCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000009218315 569512353 /nfs/dbraw/zinc/51/23/53/569512353.db2.gz JHBPFZIVSVCSFD-UHFFFAOYSA-N 0 0 449.555 2.885 50 0 IFAARN O=C(CNc1cccc2c1CCCC2)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009220938 569512621 /nfs/dbraw/zinc/51/26/21/569512621.db2.gz PEEZFBYCZRDFPF-UHFFFAOYSA-N 0 0 429.542 2.637 50 0 IFAARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc2c(cc1Br)OCO2 ZINC000009222489 569512723 /nfs/dbraw/zinc/51/27/23/569512723.db2.gz AIMHZXSJIAPLAA-LJQANCHMSA-N 0 0 431.242 2.908 50 0 IFAARN CCc1ccccc1N1C[C@H](C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000009222668 569512779 /nfs/dbraw/zinc/51/27/79/569512779.db2.gz FPLXZQINUWOZHA-NHCUHLMSSA-N 0 0 440.565 2.818 50 0 IFAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)O[C@H]1CCS(=O)(=O)C1 ZINC000009224200 569513186 /nfs/dbraw/zinc/51/31/86/569513186.db2.gz XKCAECQIHKHXDS-KRWDZBQOSA-N 0 0 447.513 2.896 50 0 IFAARN COc1cc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(Cl)c3)c2N)cc(OC)c1 ZINC000009226887 569513325 /nfs/dbraw/zinc/51/33/25/569513325.db2.gz RTSGVJSOVDZUAZ-UHFFFAOYSA-N 0 0 444.879 2.730 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)cc2)cc1 ZINC000009238690 569514337 /nfs/dbraw/zinc/51/43/37/569514337.db2.gz GNOZNLOLQBTFKV-RBUKOAKNSA-N 0 0 425.514 2.679 50 0 IFAARN COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C ZINC000009243377 569514896 /nfs/dbraw/zinc/51/48/96/569514896.db2.gz UQTUDWXJDKHGPS-UHFFFAOYSA-N 0 0 437.887 2.759 50 0 IFAARN CCCCn1c(N)c(N(CC)C(=O)c2cc(C3CC3)nn2-c2ccccc2)c(=O)[nH]c1=O ZINC000009245135 569515209 /nfs/dbraw/zinc/51/52/09/569515209.db2.gz VSVVQADYHMLNOX-UHFFFAOYSA-N 0 0 436.516 2.649 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC12CC3CC(CC(C3)C1)C2 ZINC000009245540 569515330 /nfs/dbraw/zinc/51/53/30/569515330.db2.gz MJDLBKJJUWCOGM-UHFFFAOYSA-N 0 0 446.613 2.973 50 0 IFAARN CC(=O)NCc1ccc(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2C)cc1 ZINC000009245578 569515386 /nfs/dbraw/zinc/51/53/86/569515386.db2.gz RRXLJEXKPIDINL-HXUWFJFHSA-N 0 0 438.509 2.939 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2nnc3ccccn32)cc1 ZINC000009245887 569515419 /nfs/dbraw/zinc/51/54/19/569515419.db2.gz XBUQGHRJFQCKGP-UHFFFAOYSA-N 0 0 435.509 2.875 50 0 IFAARN CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCSc1ccccc1 ZINC000009253267 569516194 /nfs/dbraw/zinc/51/61/94/569516194.db2.gz BEBVMXYSLCDHGQ-QGZVFWFLSA-N 0 0 449.623 2.755 50 0 IFAARN CCNS(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 ZINC000009253545 569516205 /nfs/dbraw/zinc/51/62/05/569516205.db2.gz OAEFQXHIVGVLMP-OAHLLOKOSA-N 0 0 434.514 2.869 50 0 IFAARN CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CC[NH+](CC)CC2)cc1 ZINC000009255069 569516462 /nfs/dbraw/zinc/51/64/62/569516462.db2.gz RRZBPTYKDIPPRF-UHFFFAOYSA-N 0 0 441.557 2.971 50 0 IFAARN Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(C)n1-c1nccs1 ZINC000009255618 569516587 /nfs/dbraw/zinc/51/65/87/569516587.db2.gz SCJCPJQRVSQBFS-HNNXBMFYSA-N 0 0 427.482 2.918 50 0 IFAARN Cc1csc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccccc3F)n2C)n1 ZINC000009264006 569517263 /nfs/dbraw/zinc/51/72/63/569517263.db2.gz DDUJMNHFONGFFP-LLVKDONJSA-N 0 0 434.522 2.768 50 0 IFAARN Nc1nonc1NC(=O)CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 ZINC000009264062 569517290 /nfs/dbraw/zinc/51/72/90/569517290.db2.gz HYWWGARJCHCKRP-UHFFFAOYSA-N 0 0 432.469 2.724 50 0 IFAARN C[C@@H](Sc1nnc(CC(=O)Nc2ccccc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009264030 569517302 /nfs/dbraw/zinc/51/73/02/569517302.db2.gz XRSYWBVUSKVTIW-CYBMUJFWSA-N 0 0 439.497 2.844 50 0 IFAARN Cn1c(=O)oc2cc(S(=O)(=O)CCC(=O)Nc3cccc(Br)c3)ccc21 ZINC000009266154 569517411 /nfs/dbraw/zinc/51/74/11/569517411.db2.gz OSNVWYGMHFUYMV-UHFFFAOYSA-N 0 0 439.287 2.697 50 0 IFAARN COCCCNC(=O)Cn1cc(C(=O)c2ccc(Cl)cc2)c(=O)c2ccc(C)nc21 ZINC000009267982 569517495 /nfs/dbraw/zinc/51/74/95/569517495.db2.gz NHXXJIJMJLAZMM-UHFFFAOYSA-N 0 0 427.888 2.742 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3cccc(C)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000009269332 569517595 /nfs/dbraw/zinc/51/75/95/569517595.db2.gz ZQNQIVRAZWBSTR-PMACEKPBSA-N 0 0 427.526 2.604 50 0 IFAARN CC[C@H]1C(c2ccccc2)=NN(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n21 ZINC000009272127 569517883 /nfs/dbraw/zinc/51/78/83/569517883.db2.gz PHAIFNYMNBHKGG-SFHVURJKSA-N 0 0 428.496 2.809 50 0 IFAARN COCCCNC(=O)c1ccc2c(c1)nc1sc(Nc3ccccc3OC)nn1c2=O ZINC000009274477 569518205 /nfs/dbraw/zinc/51/82/05/569518205.db2.gz UEKIHHYNDLGLRA-UHFFFAOYSA-N 0 0 439.497 2.823 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000009283726 569518885 /nfs/dbraw/zinc/51/88/85/569518885.db2.gz NCLHSJCAHFIQSX-KBPBESRZSA-N 0 0 439.493 2.718 50 0 IFAARN O=C(CSc1nnc2n1CCCCC2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009284424 569519064 /nfs/dbraw/zinc/51/90/64/569519064.db2.gz MFJMEMFKFFBBMA-UHFFFAOYSA-N 0 0 449.602 2.910 50 0 IFAARN CSc1ccc(CCNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000009287731 569519303 /nfs/dbraw/zinc/51/93/03/569519303.db2.gz ZMRXYPZKSSJJSC-INIZCTEOSA-N 0 0 445.614 2.962 50 0 IFAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 ZINC000009290105 569519678 /nfs/dbraw/zinc/51/96/78/569519678.db2.gz ABXHHDUKOVHHKU-LBPRGKRZSA-N 0 0 445.574 2.816 50 0 IFAARN COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc(OC)c1OC ZINC000009291811 569519889 /nfs/dbraw/zinc/51/98/89/569519889.db2.gz ZQYFANJABMELKC-LJQANCHMSA-N 0 0 425.437 2.665 50 0 IFAARN C[C@@H]1Cn2c3c(nc2N(Cc2ccccc2)C1)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000009291940 569519970 /nfs/dbraw/zinc/51/99/70/569519970.db2.gz MQZKFHINLITMFE-INIZCTEOSA-N 0 0 433.487 2.740 50 0 IFAARN C[C@@H]1Cn2c3c(nc2N(CCc2ccccc2)C1)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000009292576 569519994 /nfs/dbraw/zinc/51/99/94/569519994.db2.gz YAIDYKKCPDWMTE-KRWDZBQOSA-N 0 0 447.514 2.783 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000009300880 569520664 /nfs/dbraw/zinc/52/06/64/569520664.db2.gz DOUAQBFXNXHISP-INIZCTEOSA-N 0 0 433.530 2.848 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1F ZINC000009300966 569520684 /nfs/dbraw/zinc/52/06/84/569520684.db2.gz IICUIAYGHQSBOD-UHFFFAOYSA-N 0 0 445.900 2.860 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000009301026 569520705 /nfs/dbraw/zinc/52/07/05/569520705.db2.gz CRLDRDSZXVJQKB-UHFFFAOYSA-N 0 0 431.873 2.518 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2C)c1 ZINC000009302408 569520844 /nfs/dbraw/zinc/52/08/44/569520844.db2.gz SHOAMCQMOHUNLM-UHFFFAOYSA-N 0 0 446.558 2.809 50 0 IFAARN COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2nc(C)c(C)s2)n1C ZINC000009303895 569521115 /nfs/dbraw/zinc/52/11/15/569521115.db2.gz KBFKDLIHODKNJP-UHFFFAOYSA-N 0 0 446.558 2.558 50 0 IFAARN O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCC1)Cc1ccncc1 ZINC000009305174 569521206 /nfs/dbraw/zinc/52/12/06/569521206.db2.gz RREVFILYIRQLJU-UHFFFAOYSA-N 0 0 440.953 2.500 50 0 IFAARN COc1cccc(N2C(SCC(=O)OCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009306266 569521356 /nfs/dbraw/zinc/52/13/56/569521356.db2.gz AETJOYCYSYABOQ-RBUKOAKNSA-N 0 0 446.550 2.513 50 0 IFAARN Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4CCc3ccccc3)n(C)c2=O)c1 ZINC000009308776 569521549 /nfs/dbraw/zinc/52/15/49/569521549.db2.gz QCCZRJALKXLBMJ-UHFFFAOYSA-N 0 0 429.524 2.706 50 0 IFAARN O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000009316934 569522320 /nfs/dbraw/zinc/52/23/20/569522320.db2.gz OKBKUCOMAFNQMG-UHFFFAOYSA-N 0 0 437.420 2.916 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000009317563 569522383 /nfs/dbraw/zinc/52/23/83/569522383.db2.gz ZRHJDTUAWFGRDI-LJQANCHMSA-N 0 0 438.871 2.610 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccccc3)c2)C1 ZINC000009335315 569523301 /nfs/dbraw/zinc/52/33/01/569523301.db2.gz VMSMRVWPZXGPGV-QZTJIDSGSA-N 0 0 444.553 2.826 50 0 IFAARN CC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)n(C)c1 ZINC000009336688 569523458 /nfs/dbraw/zinc/52/34/58/569523458.db2.gz NWGYKSNJUJFGNB-UHFFFAOYSA-N 0 0 431.558 2.608 50 0 IFAARN O=C(CN1CCc2ccccc21)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000009339017 569523721 /nfs/dbraw/zinc/52/37/21/569523721.db2.gz PAJLEAMISBNJCZ-UHFFFAOYSA-N 0 0 426.476 2.576 50 0 IFAARN O=C(NCCCn1nc2n(c1=O)CCCC2)c1ccccc1SCc1cscn1 ZINC000069924405 569523955 /nfs/dbraw/zinc/52/39/55/569523955.db2.gz RVADCJYLDFJYAB-UHFFFAOYSA-N 0 0 429.571 2.950 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@H]4c2ccc(OC)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000009348665 569524484 /nfs/dbraw/zinc/52/44/84/569524484.db2.gz YQSLNUVDCZUSKY-QHCPKHFHSA-N 0 0 447.491 2.843 50 0 IFAARN O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009349411 569524751 /nfs/dbraw/zinc/52/47/51/569524751.db2.gz OOOGRNSRCVNOSY-UHFFFAOYSA-N 0 0 432.567 2.927 50 0 IFAARN O=C(CSc1ccccc1C(=O)OCC(=O)N1CCNC1=O)NC1CCCCCCC1 ZINC000009350606 569524805 /nfs/dbraw/zinc/52/48/05/569524805.db2.gz PLRTYIFEJIBFOO-UHFFFAOYSA-N 0 0 447.557 2.716 50 0 IFAARN CNC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC000009350688 569524901 /nfs/dbraw/zinc/52/49/01/569524901.db2.gz JRCCAXMDRZQAPB-UHFFFAOYSA-N 0 0 435.546 2.620 50 0 IFAARN CC(C)NC(=O)CNC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000009368036 569526554 /nfs/dbraw/zinc/52/65/54/569526554.db2.gz QQCWLFUEYMLJNN-UHFFFAOYSA-N 0 0 438.406 2.642 50 0 IFAARN CCn1c(SCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)nnc1C1CC1 ZINC000009376490 569527321 /nfs/dbraw/zinc/52/73/21/569527321.db2.gz KYUGSBSNENQHHQ-UHFFFAOYSA-N 0 0 437.323 2.838 50 0 IFAARN Cc1ccc(C)c(-n2cnnc2SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 ZINC000009376545 569527331 /nfs/dbraw/zinc/52/73/31/569527331.db2.gz CLGWLOAMSJPFQF-UHFFFAOYSA-N 0 0 442.545 2.508 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000009376779 569527371 /nfs/dbraw/zinc/52/73/71/569527371.db2.gz CPIHZTSRTQVPGZ-UHFFFAOYSA-N 0 0 433.505 2.757 50 0 IFAARN O=C(NCCCn1cnc2ccccc21)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000009376882 569527411 /nfs/dbraw/zinc/52/74/11/569527411.db2.gz KOQBTROCEHGJKA-UHFFFAOYSA-N 0 0 438.509 2.928 50 0 IFAARN O=C(c1cncn1-c1ccc(F)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009378147 569527573 /nfs/dbraw/zinc/52/75/73/569527573.db2.gz JHCKNECDVJIPDE-UHFFFAOYSA-N 0 0 446.479 2.687 50 0 IFAARN CN(CC(=O)Nc1ccnn1Cc1ccncc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009379364 569527733 /nfs/dbraw/zinc/52/77/33/569527733.db2.gz ZEETZHZEIFJAHF-UHFFFAOYSA-N 0 0 435.509 2.739 50 0 IFAARN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC(NC(=O)c2ccncc2)CC1 ZINC000070004901 569527761 /nfs/dbraw/zinc/52/77/61/569527761.db2.gz OMSXBAQQLHYPJZ-UHFFFAOYSA-N 0 0 438.572 2.525 50 0 IFAARN CC(=O)NC1(c2noc(CCC(=O)NC[C@@H]3COc4ccccc4O3)n2)CCCCCC1 ZINC000070009362 569528076 /nfs/dbraw/zinc/52/80/76/569528076.db2.gz FKFLONNALOUHKA-QGZVFWFLSA-N 0 0 442.516 2.644 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3nncs3)C2)s1)c1ccco1 ZINC000070020038 569528825 /nfs/dbraw/zinc/52/88/25/569528825.db2.gz AUDCLXGEFKIZSY-NSHDSACASA-N 0 0 431.499 2.936 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccc2c(c1)OCCO2 ZINC000009396003 569529135 /nfs/dbraw/zinc/52/91/35/569529135.db2.gz YFNQHJSGQMDHCW-UHFFFAOYSA-N 0 0 447.399 2.887 50 0 IFAARN Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)c3ccccc3n2)cc1 ZINC000009396750 569529206 /nfs/dbraw/zinc/52/92/06/569529206.db2.gz LRMXWNYQDOCHND-KRWDZBQOSA-N 0 0 438.505 2.670 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NCCC(C)C)CC3)cc2C[C@@H]1C ZINC000009397012 569529258 /nfs/dbraw/zinc/52/92/58/569529258.db2.gz QYKIXBFMFCSASZ-INIZCTEOSA-N 0 0 435.590 2.547 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3cc(C)ccc3C)cc2C[C@@H]1C ZINC000009396881 569529259 /nfs/dbraw/zinc/52/92/59/569529259.db2.gz CSSSNSIZEZTYRV-INIZCTEOSA-N 0 0 429.542 2.860 50 0 IFAARN CCOc1ccccc1NC(=O)CSc1nc2nccnc2c(=O)n1Cc1ccco1 ZINC000009405222 569529793 /nfs/dbraw/zinc/52/97/93/569529793.db2.gz BYBYDFAXPKHQKA-UHFFFAOYSA-N 0 0 437.481 2.957 50 0 IFAARN CC(C)OCCCn1c(=O)c2nccnc2nc1SCC(=O)Nc1ccccc1F ZINC000009405374 569529852 /nfs/dbraw/zinc/52/98/52/569529852.db2.gz JEDJEPDZKZWICU-UHFFFAOYSA-N 0 0 431.493 2.872 50 0 IFAARN Cc1nc2nc(CN)nn2c(C)c1CCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000009407445 569530250 /nfs/dbraw/zinc/53/02/50/569530250.db2.gz WTLAFXBXQPGZRN-UHFFFAOYSA-N 0 0 442.483 2.974 50 0 IFAARN COc1ccc(Br)cc1-c1nc2c([nH]c(=O)n2-c2ccccc2)c(C(N)=O)n1 ZINC000009407945 569530381 /nfs/dbraw/zinc/53/03/81/569530381.db2.gz QAZDAQXEODJRLN-UHFFFAOYSA-N 0 0 440.257 2.646 50 0 IFAARN COc1ccc(-c2nc3c([nH]c(=O)n3-c3ccc(Cl)cc3)c(C(N)=O)n2)c(OC)c1 ZINC000009407960 569530397 /nfs/dbraw/zinc/53/03/97/569530397.db2.gz PZFLXXZYCHLYKT-UHFFFAOYSA-N 0 0 425.832 2.545 50 0 IFAARN C[C@@H]1CCC[C@H](N(C)C(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)[C@@H]1C ZINC000009408117 569530518 /nfs/dbraw/zinc/53/05/18/569530518.db2.gz AUBWPDKSHPEXHX-NUJGCVRESA-N 0 0 449.573 2.662 50 0 IFAARN COc1ccc([C@@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1OC ZINC000009408883 569530751 /nfs/dbraw/zinc/53/07/51/569530751.db2.gz QDGMPZMXICCCNO-ZILOHOTNSA-N 0 0 438.480 2.931 50 0 IFAARN CCn1c(=O)c2cc(Br)ccc2n(CC(=O)Nc2ccccc2OC)c1=O ZINC000009410490 569531302 /nfs/dbraw/zinc/53/13/02/569531302.db2.gz MZBUERVVQZXIQZ-UHFFFAOYSA-N 0 0 432.274 2.593 50 0 IFAARN COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(CCc5ccccc5)C(=O)[C@@H]24)O3)cc1OC ZINC000009410396 569531315 /nfs/dbraw/zinc/53/13/15/569531315.db2.gz WOVSHUFYFUOIMY-BBNRHVKASA-N 0 0 434.492 2.667 50 0 IFAARN COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)NCCC(C)C)[C@@H]5C3=O)nc2c1 ZINC000009410650 569531390 /nfs/dbraw/zinc/53/13/90/569531390.db2.gz NPPRPFRBLXMZIG-UVLLPENVSA-N 0 0 427.526 2.754 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000009412634 569531577 /nfs/dbraw/zinc/53/15/77/569531577.db2.gz SRWKPMMKHQLUTD-UHFFFAOYSA-N 0 0 444.373 2.574 50 0 IFAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000009412142 569531600 /nfs/dbraw/zinc/53/16/00/569531600.db2.gz DBZANRMZYSCLTQ-UHFFFAOYSA-N 0 0 439.493 2.903 50 0 IFAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000009430719 569533952 /nfs/dbraw/zinc/53/39/52/569533952.db2.gz NOGVGZKIVLDPNS-LJQANCHMSA-N 0 0 443.569 2.936 50 0 IFAARN CCCn1c2sc3c(c2c(=O)n(CC(=O)NCc2ccccc2)c1=O)CC(C)(C)OC3 ZINC000009435911 569534926 /nfs/dbraw/zinc/53/49/26/569534926.db2.gz ZJRBTKDVOQUGND-UHFFFAOYSA-N 0 0 441.553 2.802 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)CCC(=O)N[C@@H]1CCCc3ccccc31)OCC(=O)N2 ZINC000009440062 569535120 /nfs/dbraw/zinc/53/51/20/569535120.db2.gz OXLKCBCODUDIPZ-QGZVFWFLSA-N 0 0 428.510 2.684 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)CCC(=O)Nc1ccc(F)c(Cl)c1)OCC(=O)N2 ZINC000009440075 569535139 /nfs/dbraw/zinc/53/51/39/569535139.db2.gz ULRDBWLUMBYQEQ-UHFFFAOYSA-N 0 0 426.853 2.921 50 0 IFAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CNC(=O)c3ccco3)cc2)cc1 ZINC000009442632 569535573 /nfs/dbraw/zinc/53/55/73/569535573.db2.gz AFUDMWDQZXQHGQ-UHFFFAOYSA-N 0 0 443.481 2.848 50 0 IFAARN O=C(COc1cccc(Cl)c1)OCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009445609 569535822 /nfs/dbraw/zinc/53/58/22/569535822.db2.gz JGOJNADYZASUHC-QGZVFWFLSA-N 0 0 443.949 2.610 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000009447836 569536065 /nfs/dbraw/zinc/53/60/65/569536065.db2.gz VQESOOXGLVTEOS-ZDUSSCGKSA-N 0 0 438.553 2.955 50 0 IFAARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(F)cc4)N4N=CC=C[C@H]34)C2O)cc1 ZINC000009453736 569536638 /nfs/dbraw/zinc/53/66/38/569536638.db2.gz MNXUUXAJHDZGSX-NCYKPQTJSA-N 0 0 431.423 2.625 50 0 IFAARN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000009464025 569537604 /nfs/dbraw/zinc/53/76/04/569537604.db2.gz IMMQVXDEHMHZCF-YADHBBJMSA-N 0 0 434.492 2.604 50 0 IFAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@]2(CCCc3sccc32)C1=O ZINC000009464707 569537811 /nfs/dbraw/zinc/53/78/11/569537811.db2.gz LUVWFUYTJOUCGW-QKVFXAPYSA-N 0 0 427.482 2.630 50 0 IFAARN CCOC(=O)C1=C(NC(=O)c2cccc(-n3cnnn3)c2)Nc2ccccc2N=C1CC ZINC000009469340 569538797 /nfs/dbraw/zinc/53/87/97/569538797.db2.gz JLYSTUSYDFAQBA-UHFFFAOYSA-N 0 0 431.456 2.775 50 0 IFAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1ccccn1 ZINC000009469800 569538835 /nfs/dbraw/zinc/53/88/35/569538835.db2.gz SCEPPSDACUFRPG-OAHLLOKOSA-N 0 0 439.493 2.780 50 0 IFAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1ccccn1 ZINC000009469798 569538837 /nfs/dbraw/zinc/53/88/37/569538837.db2.gz SCEPPSDACUFRPG-HNNXBMFYSA-N 0 0 439.493 2.780 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000009478071 569539305 /nfs/dbraw/zinc/53/93/05/569539305.db2.gz ZPQOQQRSBSZWED-GOSISDBHSA-N 0 0 427.526 2.598 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)NC3CCCC3)CC2=O)cc1 ZINC000009486907 569539659 /nfs/dbraw/zinc/53/96/59/569539659.db2.gz AZTZGWDNRPQMNQ-XXBNENTESA-N 0 0 449.551 2.834 50 0 IFAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009487396 569539727 /nfs/dbraw/zinc/53/97/27/569539727.db2.gz UHZKSXBYKXPSPO-QGZVFWFLSA-N 0 0 432.498 2.951 50 0 IFAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NCCCN1CCCC1=O ZINC000009487807 569539780 /nfs/dbraw/zinc/53/97/80/569539780.db2.gz LETAEVGOCVVUHZ-UHFFFAOYSA-N 0 0 432.904 2.833 50 0 IFAARN CSc1cccc(N2C[C@H](C(=O)OCc3cc(=O)n4c(C)csc4n3)CC2=O)c1 ZINC000009494207 569540860 /nfs/dbraw/zinc/54/08/60/569540860.db2.gz YSGVDSWODYNUEW-CYBMUJFWSA-N 0 0 429.523 2.883 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000009497904 569541330 /nfs/dbraw/zinc/54/13/30/569541330.db2.gz ABLHDOFKYOYOFY-UPCLLVRISA-N 0 0 434.496 2.694 50 0 IFAARN Cc1cccc2nc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)cc(=O)n12 ZINC000009499333 569541475 /nfs/dbraw/zinc/54/14/75/569541475.db2.gz JDDPHMVSJKYSIC-UHFFFAOYSA-N 0 0 448.552 2.772 50 0 IFAARN COc1ccc(C(=O)NCCc2nnc(S[C@H](C)C(=O)NC3CCCCC3)n2C)cc1 ZINC000009505859 569541828 /nfs/dbraw/zinc/54/18/28/569541828.db2.gz PBGFHWODXMNLLE-OAHLLOKOSA-N 0 0 445.589 2.726 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)cc1 ZINC000009508941 569542437 /nfs/dbraw/zinc/54/24/37/569542437.db2.gz DSQRFJJJKJYYPF-UHFFFAOYSA-N 0 0 446.525 2.911 50 0 IFAARN CCCCN(C(=O)CNc1cccc(Cl)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000009509270 569542497 /nfs/dbraw/zinc/54/24/97/569542497.db2.gz CGRJKMBBWOXGJZ-UHFFFAOYSA-N 0 0 435.956 2.982 50 0 IFAARN COc1cc(-c2nnc(CN3C(=O)NC4(CCC(C)CC4)C3=O)o2)cc(OC)c1OC ZINC000009509230 569542544 /nfs/dbraw/zinc/54/25/44/569542544.db2.gz OGJUFGRNCUYDIJ-UHFFFAOYSA-N 0 0 430.461 2.763 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009509501 569542597 /nfs/dbraw/zinc/54/25/97/569542597.db2.gz TXVAOAYRVPZBLL-QFBILLFUSA-N 0 0 436.574 2.944 50 0 IFAARN COc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1OC(F)F ZINC000009509687 569542663 /nfs/dbraw/zinc/54/26/63/569542663.db2.gz QHAJKLOBMBYRAU-UHFFFAOYSA-N 0 0 442.440 2.570 50 0 IFAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C2=O ZINC000009512426 569542997 /nfs/dbraw/zinc/54/29/97/569542997.db2.gz KUVXYLYSUNSDPR-CMJOXMDJSA-N 0 0 438.484 2.649 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)Nc1cccc2ccccc21 ZINC000009513120 569543118 /nfs/dbraw/zinc/54/31/18/569543118.db2.gz RJDLWOJFSSXSOY-UHFFFAOYSA-N 0 0 443.550 2.987 50 0 IFAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2cn3ccccc3n2)C1=O ZINC000009516843 569543481 /nfs/dbraw/zinc/54/34/81/569543481.db2.gz IDXPIXDYQYAECO-XMMPIXPASA-N 0 0 427.464 2.571 50 0 IFAARN CCOc1ccc(-c2nc(SCc3ccccn3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000009517539 569543620 /nfs/dbraw/zinc/54/36/20/569543620.db2.gz YARQBEFYCVXOJC-UHFFFAOYSA-N 0 0 435.509 2.780 50 0 IFAARN Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3Cc2ccccc2)n(C)c1=O ZINC000009519112 569544240 /nfs/dbraw/zinc/54/42/40/569544240.db2.gz DDDPQBMGLLHAOG-KRWDZBQOSA-N 0 0 429.524 2.910 50 0 IFAARN Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4Cc3ccccc3)n(C)c2=O)cc1 ZINC000009519109 569544247 /nfs/dbraw/zinc/54/42/47/569544247.db2.gz QMFOPQUPOCLZPB-GOSISDBHSA-N 0 0 429.524 2.910 50 0 IFAARN CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NCc2ccccc2)c2ccccc21 ZINC000009519596 569544293 /nfs/dbraw/zinc/54/42/93/569544293.db2.gz BCGFTJJDPUEEKE-UHFFFAOYSA-N 0 0 441.553 2.600 50 0 IFAARN COc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(Cl)cc2)C(=O)N3)c1 ZINC000009526854 569544562 /nfs/dbraw/zinc/54/45/62/569544562.db2.gz JMCDOVBMWYNXGJ-UHFFFAOYSA-N 0 0 426.904 2.698 50 0 IFAARN CCOc1cc(CNC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)ccc1OC ZINC000009528440 569544728 /nfs/dbraw/zinc/54/47/28/569544728.db2.gz SQAGIKIUOMWHGG-SFHVURJKSA-N 0 0 426.560 2.775 50 0 IFAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(I)c1)C2=O ZINC000009540463 569545807 /nfs/dbraw/zinc/54/58/07/569545807.db2.gz XHPQTFLDSQYFNS-PIGZYNQJSA-N 0 0 441.269 2.730 50 0 IFAARN NC(=O)c1ccc(-c2nnn(CC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)n2)cc1 ZINC000009544635 569545990 /nfs/dbraw/zinc/54/59/90/569545990.db2.gz FJEQBQZEESXMRD-UHFFFAOYSA-N 0 0 434.456 2.509 50 0 IFAARN Cn1c2nc(Sc3ccccc3N)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000009546491 569546336 /nfs/dbraw/zinc/54/63/36/569546336.db2.gz PPFOAQQXVYWGJL-UHFFFAOYSA-N 0 0 427.917 2.869 50 0 IFAARN COC[C@H](O)CNC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O ZINC000009547348 569546403 /nfs/dbraw/zinc/54/64/03/569546403.db2.gz ACWBWPFICDVRCD-MRXNPFEDSA-N 0 0 431.872 2.924 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(C)=O)cc3)C2)cc1 ZINC000009547830 569546461 /nfs/dbraw/zinc/54/64/61/569546461.db2.gz MAWVZQVYLFQARL-SFHVURJKSA-N 0 0 443.525 2.887 50 0 IFAARN C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1 ZINC000009549114 569546580 /nfs/dbraw/zinc/54/65/80/569546580.db2.gz NTJAXGRJTNTVFX-MRXNPFEDSA-N 0 0 427.464 2.921 50 0 IFAARN C[C@H](NS(=O)(=O)c1cccc(C(=O)NCc2nnc3ccccn32)c1)c1ccccc1 ZINC000009549705 569546609 /nfs/dbraw/zinc/54/66/09/569546609.db2.gz SKMFLUCOWGHIRW-INIZCTEOSA-N 0 0 435.509 2.699 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1C ZINC000009562650 569547340 /nfs/dbraw/zinc/54/73/40/569547340.db2.gz NMVZARHTEHXYOL-QZTJIDSGSA-N 0 0 449.573 2.529 50 0 IFAARN O=C(NCc1nnnn1-c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000009570799 569547654 /nfs/dbraw/zinc/54/76/54/569547654.db2.gz OGMYXZVKHUOYMB-GFCCVEGCSA-N 0 0 431.283 2.638 50 0 IFAARN COc1ccc(CN2C(=O)N[C@](NC(=O)CCc3ccccc3)(C(F)(F)F)C2=O)cc1 ZINC000009575883 569548031 /nfs/dbraw/zinc/54/80/31/569548031.db2.gz PHLSDNWNSVMFRO-FQEVSTJZSA-N 0 0 435.402 2.959 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2cn(C3CC3)c3c(cc(F)c(F)c3OC)c2=O)CC1 ZINC000009576743 569548128 /nfs/dbraw/zinc/54/81/28/569548128.db2.gz YPEZIOXNMDXADZ-UHFFFAOYSA-N 0 0 449.454 2.974 50 0 IFAARN CCc1nn2c(nc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc2=O)s1 ZINC000009577241 569548163 /nfs/dbraw/zinc/54/81/63/569548163.db2.gz JDGYQPFPYSASJZ-UHFFFAOYSA-N 0 0 445.504 2.709 50 0 IFAARN O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)N1CCCCCC1 ZINC000009578275 569548273 /nfs/dbraw/zinc/54/82/73/569548273.db2.gz WYUORCHQDCOCAG-UHFFFAOYSA-N 0 0 438.557 2.592 50 0 IFAARN CCOC(=O)[C@H](CC)Sc1ccc2nnc(CCNC(=O)c3ccc(OC)cc3)n2n1 ZINC000009578658 569548413 /nfs/dbraw/zinc/54/84/13/569548413.db2.gz SPUOLPJYBXSMBF-INIZCTEOSA-N 0 0 443.529 2.539 50 0 IFAARN CCOC(=O)[C@H](CC)Sc1ccc2nnc(CCNC(=O)c3ccc(F)cc3)n2n1 ZINC000009578742 569548417 /nfs/dbraw/zinc/54/84/17/569548417.db2.gz NLOBSHSWZHAWKV-HNNXBMFYSA-N 0 0 431.493 2.670 50 0 IFAARN COc1cccc(C(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)c1 ZINC000009582751 569549232 /nfs/dbraw/zinc/54/92/32/569549232.db2.gz LFVXOUJSQRXSGU-UHFFFAOYSA-N 0 0 428.489 2.910 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O ZINC000009583430 569549298 /nfs/dbraw/zinc/54/92/98/569549298.db2.gz NCUGECFYZBYNFZ-IBGZPJMESA-N 0 0 447.241 2.874 50 0 IFAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C2=O)cc1 ZINC000009584652 569549415 /nfs/dbraw/zinc/54/94/15/569549415.db2.gz MIKJGLAOBUGRDW-QHCPKHFHSA-N 0 0 435.484 2.559 50 0 IFAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C2=O)cc1 ZINC000009584653 569549467 /nfs/dbraw/zinc/54/94/67/569549467.db2.gz MIKJGLAOBUGRDW-HSZRJFAPSA-N 0 0 435.484 2.559 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C)nc2ccccc21 ZINC000009585151 569549523 /nfs/dbraw/zinc/54/95/23/569549523.db2.gz GJDJHDXTXHVIRB-UHFFFAOYSA-N 0 0 441.509 2.825 50 0 IFAARN Cn1c2nc(Cl)n(Cc3cn(-c4ccccc4)nc3-c3ccccc3)c2c(=O)n(C)c1=O ZINC000009586567 569549654 /nfs/dbraw/zinc/54/96/54/569549654.db2.gz DGCUDZMGJRSQFX-UHFFFAOYSA-N 0 0 446.898 2.988 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C)n(C2CC2)c1C ZINC000009587510 569549785 /nfs/dbraw/zinc/54/97/85/569549785.db2.gz OLMYSXHAMRJWQU-UHFFFAOYSA-N 0 0 433.530 2.722 50 0 IFAARN CN(C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccccc1 ZINC000009587201 569549792 /nfs/dbraw/zinc/54/97/92/569549792.db2.gz XLQZVTWIXMLQHM-UHFFFAOYSA-N 0 0 435.457 2.884 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000009589943 569550030 /nfs/dbraw/zinc/55/00/30/569550030.db2.gz RSLIONRSLMAXHV-KDOFPFPSSA-N 0 0 435.480 2.775 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NCCn3cnc(-c4ccccc4)cc3=O)[nH]n2)c1 ZINC000070655831 569550052 /nfs/dbraw/zinc/55/00/52/569550052.db2.gz AJMJLLGBRQUDGH-UHFFFAOYSA-N 0 0 445.479 2.748 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)NCCn3cnc(-c4ccccc4)cc3=O)CC2=O)cc1C ZINC000070655817 569550056 /nfs/dbraw/zinc/55/00/56/569550056.db2.gz ONYDLXMIUPITCH-HXUWFJFHSA-N 0 0 430.508 2.696 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)ncn2)n1 ZINC000070656055 569550128 /nfs/dbraw/zinc/55/01/28/569550128.db2.gz VGQNCHDMAWJWMR-QGZVFWFLSA-N 0 0 434.500 2.905 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c1 ZINC000009592120 569550274 /nfs/dbraw/zinc/55/02/74/569550274.db2.gz PULIEENRCIXUMW-UHFFFAOYSA-N 0 0 440.529 2.868 50 0 IFAARN COCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)o1 ZINC000009596545 569550801 /nfs/dbraw/zinc/55/08/01/569550801.db2.gz QRELNLBZAQBOMI-UHFFFAOYSA-N 0 0 432.420 2.592 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(OC)c3)c2=O)cc1 ZINC000009598593 569551049 /nfs/dbraw/zinc/55/10/49/569551049.db2.gz PQIZKRJLVIGGBH-UHFFFAOYSA-N 0 0 437.477 2.870 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000009601283 569551591 /nfs/dbraw/zinc/55/15/91/569551591.db2.gz NWJJPILBNFLJGW-HNNXBMFYSA-N 0 0 436.917 2.786 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000009608497 569552145 /nfs/dbraw/zinc/55/21/45/569552145.db2.gz ATAILWRYOSXJJM-IZHWHUGBSA-N 0 0 435.480 2.593 50 0 IFAARN COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(C)cc3)c2=O)cc1 ZINC000009616117 569553253 /nfs/dbraw/zinc/55/32/53/569553253.db2.gz HQGBWTJRUYIIGF-UHFFFAOYSA-N 0 0 429.476 2.786 50 0 IFAARN COCCNC(=O)CCCn1c(=O)c2ccccc2n(Cc2c(C)cc(C)cc2C)c1=O ZINC000009616734 569553289 /nfs/dbraw/zinc/55/32/89/569553289.db2.gz OVYILZPBSAWRJL-UHFFFAOYSA-N 0 0 437.540 2.680 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)NC3CCCCC3)CC2)cc1 ZINC000009628430 569553581 /nfs/dbraw/zinc/55/35/81/569553581.db2.gz XBQSSFPQVDWKBQ-KRWDZBQOSA-N 0 0 436.574 2.776 50 0 IFAARN CCCN1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)c2C(N)=O)C1 ZINC000009629847 569553588 /nfs/dbraw/zinc/55/35/88/569553588.db2.gz LXHLGPMWVMNUBN-UHFFFAOYSA-N 0 0 449.598 2.726 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)NC[C@@H]2CCCO2)c1 ZINC000009630969 569553685 /nfs/dbraw/zinc/55/36/85/569553685.db2.gz QMMBRJHZXQLGQC-KRWDZBQOSA-N 0 0 447.509 2.523 50 0 IFAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 ZINC000009630993 569553702 /nfs/dbraw/zinc/55/37/02/569553702.db2.gz SPEQARQUVCIYTA-UHFFFAOYSA-N 0 0 445.522 2.933 50 0 IFAARN COc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 ZINC000009630892 569553732 /nfs/dbraw/zinc/55/37/32/569553732.db2.gz JTOVVWWWTXAFCW-UHFFFAOYSA-N 0 0 448.585 2.662 50 0 IFAARN O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009631835 569553852 /nfs/dbraw/zinc/55/38/52/569553852.db2.gz ASCNCDOACHEDCR-UHFFFAOYSA-N 0 0 439.512 2.765 50 0 IFAARN COc1cc(NCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(OC)cc1Cl ZINC000009632029 569553915 /nfs/dbraw/zinc/55/39/15/569553915.db2.gz RNBMHWIDGHGHEC-UHFFFAOYSA-N 0 0 427.910 2.658 50 0 IFAARN CSCC[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1C(=O)c2ccccc2C1=O ZINC000009632570 569554052 /nfs/dbraw/zinc/55/40/52/569554052.db2.gz HHCHDBBFSHOCPU-AWEZNQCLSA-N 0 0 443.550 2.692 50 0 IFAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000009633912 569554363 /nfs/dbraw/zinc/55/43/63/569554363.db2.gz PHHUDBLZUGUZHT-VWLOTQADSA-N 0 0 435.524 2.944 50 0 IFAARN COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(Br)cc1F ZINC000009634056 569554410 /nfs/dbraw/zinc/55/44/10/569554410.db2.gz WWBGZLTUNNGYOU-UHFFFAOYSA-N 0 0 439.237 2.509 50 0 IFAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3cc(=O)c4ccccc4o3)c2C(N)=O)C1 ZINC000009638919 569555076 /nfs/dbraw/zinc/55/50/76/569555076.db2.gz FYCJMDKIYHRFIU-UHFFFAOYSA-N 0 0 441.465 2.720 50 0 IFAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(N)=O)C1 ZINC000009638925 569555089 /nfs/dbraw/zinc/55/50/89/569555089.db2.gz FCIVBPVVTLASAL-UHFFFAOYSA-N 0 0 441.465 2.720 50 0 IFAARN Cc1ccc(NC(=O)Cc2nc(CN3C(=O)c4ccccc4S3(=O)=O)cs2)cc1 ZINC000009642402 569555824 /nfs/dbraw/zinc/55/58/24/569555824.db2.gz DFWWYNKMFFVIOI-UHFFFAOYSA-N 0 0 427.507 2.977 50 0 IFAARN CCc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 ZINC000009643594 569555950 /nfs/dbraw/zinc/55/59/50/569555950.db2.gz OZSZAHCCRHAZMJ-UHFFFAOYSA-N 0 0 441.513 2.661 50 0 IFAARN COc1ccc(CCN(C)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC ZINC000009646182 569556252 /nfs/dbraw/zinc/55/62/52/569556252.db2.gz GETQJOZLTFDABP-UHFFFAOYSA-N 0 0 432.542 2.803 50 0 IFAARN Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)n2n1 ZINC000009647351 569556439 /nfs/dbraw/zinc/55/64/39/569556439.db2.gz VXFHPEZEGSNUKO-RDJZCZTQSA-N 0 0 444.582 2.797 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCc2c(F)cccc2Cl)cc1C ZINC000009647815 569556504 /nfs/dbraw/zinc/55/65/04/569556504.db2.gz CKTKQALVPWJWND-LIRRHRJNSA-N 0 0 441.908 2.963 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)COC(=O)Cc3c[nH]c4ccccc34)CC2)c(F)c1 ZINC000009655109 569556555 /nfs/dbraw/zinc/55/65/55/569556555.db2.gz OKSOPHKEDVQJFN-UHFFFAOYSA-N 0 0 437.471 2.944 50 0 IFAARN COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009651365 569556583 /nfs/dbraw/zinc/55/65/83/569556583.db2.gz PVMDQNJJQUFGCS-UHFFFAOYSA-N 0 0 442.878 2.996 50 0 IFAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000009660372 569556774 /nfs/dbraw/zinc/55/67/74/569556774.db2.gz JRXHJDGPLSYCPK-MRXNPFEDSA-N 0 0 434.500 2.517 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c2cccnc2c(=O)n(CCc2ccccc2)c1=O ZINC000009660734 569556908 /nfs/dbraw/zinc/55/69/08/569556908.db2.gz LFQLFHIXUJBGSQ-UHFFFAOYSA-N 0 0 444.491 2.838 50 0 IFAARN CCOC(=O)c1sc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)nc1C ZINC000009664053 569557346 /nfs/dbraw/zinc/55/73/46/569557346.db2.gz OJUUKYPQNRKDHW-GFCCVEGCSA-N 0 0 443.572 2.872 50 0 IFAARN NC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009664103 569557348 /nfs/dbraw/zinc/55/73/48/569557348.db2.gz NMWZVMVGDKGJOU-CYBMUJFWSA-N 0 0 433.511 2.775 50 0 IFAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000009666474 569557730 /nfs/dbraw/zinc/55/77/30/569557730.db2.gz CXKMTPKWDRUSGO-UHFFFAOYSA-N 0 0 445.431 2.966 50 0 IFAARN Cc1cc(C)cc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)c1 ZINC000009668803 569557976 /nfs/dbraw/zinc/55/79/76/569557976.db2.gz WNEICOVEORXBGR-UHFFFAOYSA-N 0 0 426.542 2.902 50 0 IFAARN CCOCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000009668652 569557998 /nfs/dbraw/zinc/55/79/98/569557998.db2.gz QREUFLRZUQIYGV-UHFFFAOYSA-N 0 0 432.542 2.750 50 0 IFAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)c1c(C)cc(=O)oc1C ZINC000009670302 569558292 /nfs/dbraw/zinc/55/82/92/569558292.db2.gz YAIVAXFKMHALCH-UHFFFAOYSA-N 0 0 435.454 2.801 50 0 IFAARN Cc1cc(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 ZINC000009672698 569558848 /nfs/dbraw/zinc/55/88/48/569558848.db2.gz DKWCSEGHEGZSTA-IAGOWNOFSA-N 0 0 434.583 2.830 50 0 IFAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000009677388 569559545 /nfs/dbraw/zinc/55/95/45/569559545.db2.gz CLOACQOFIFYGCJ-UHFFFAOYSA-N 0 0 430.555 2.717 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000009677542 569559591 /nfs/dbraw/zinc/55/95/91/569559591.db2.gz SNBXMKOXLWWJCV-UHFFFAOYSA-N 0 0 440.525 2.668 50 0 IFAARN Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCCCC2)O3)cc1 ZINC000009683529 569560396 /nfs/dbraw/zinc/56/03/96/569560396.db2.gz XNQMNXALCIOSNB-OAQYLSRUSA-N 0 0 430.526 2.626 50 0 IFAARN O=C(CSc1ccc2c(c1)CCC2)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009684537 569560592 /nfs/dbraw/zinc/56/05/92/569560592.db2.gz DYXJORQRDSLCKM-UHFFFAOYSA-N 0 0 446.594 2.605 50 0 IFAARN Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000009686086 569560727 /nfs/dbraw/zinc/56/07/27/569560727.db2.gz YLCXADATWXUAHA-UHFFFAOYSA-N 0 0 428.448 2.807 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(N)c2)cc1 ZINC000009691895 569561035 /nfs/dbraw/zinc/56/10/35/569561035.db2.gz OQCURRFRUUTHJD-GFCCVEGCSA-N 0 0 439.921 2.793 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)C1 ZINC000009692314 569561083 /nfs/dbraw/zinc/56/10/83/569561083.db2.gz BCOAXJXRPNPEAS-HUUCEWRRSA-N 0 0 429.952 2.613 50 0 IFAARN CCCCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@]12c1cc(Br)ccc1NC2=O ZINC000009695184 569561180 /nfs/dbraw/zinc/56/11/80/569561180.db2.gz CNPWAMBIXOKEKW-LJQANCHMSA-N 0 0 447.289 2.625 50 0 IFAARN O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 ZINC000009699622 569561244 /nfs/dbraw/zinc/56/12/44/569561244.db2.gz RKVXDJYKAGNZFW-OAHLLOKOSA-N 0 0 426.897 2.970 50 0 IFAARN Cc1cccc(CN2N=C(c3ccc(Cl)cc3)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000009707487 569561555 /nfs/dbraw/zinc/56/15/55/569561555.db2.gz PATYRXICSMPPPR-UHFFFAOYSA-N 0 0 448.914 2.820 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 ZINC000009708132 569561850 /nfs/dbraw/zinc/56/18/50/569561850.db2.gz DSOVBAUUUSPKTM-LJQANCHMSA-N 0 0 433.464 2.545 50 0 IFAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009708136 569561867 /nfs/dbraw/zinc/56/18/67/569561867.db2.gz SBOJBRCXBZPAKR-IBGZPJMESA-N 0 0 433.464 2.910 50 0 IFAARN CCN(CC(=O)NCc1cccs1)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000009710909 569562026 /nfs/dbraw/zinc/56/20/26/569562026.db2.gz LKZZXMZKXNNLGQ-UHFFFAOYSA-N 0 0 442.585 2.564 50 0 IFAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NC[C@H]1COc2ccccc2O1 ZINC000009712813 569562367 /nfs/dbraw/zinc/56/23/67/569562367.db2.gz YZCISMHUDZFTFD-ZDUSSCGKSA-N 0 0 427.438 2.514 50 0 IFAARN CCc1ccc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n(CC(C)=O)c(=O)n2C)cc1 ZINC000009713274 569562535 /nfs/dbraw/zinc/56/25/35/569562535.db2.gz KEMJQUHETZCLII-UHFFFAOYSA-N 0 0 441.491 2.957 50 0 IFAARN Cn1c2nc3n(cc(-c4ccccc4)n3-c3ccccc3Cl)c2c(=O)n(CCCO)c1=O ZINC000009713402 569562617 /nfs/dbraw/zinc/56/26/17/569562617.db2.gz LYZPOEBPXDHZJZ-UHFFFAOYSA-N 0 0 449.898 2.841 50 0 IFAARN O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)NC1CCCCC1 ZINC000009714295 569562761 /nfs/dbraw/zinc/56/27/61/569562761.db2.gz BFLGDUCZUOCOPE-UHFFFAOYSA-N 0 0 449.555 2.972 50 0 IFAARN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCNC(=O)C3)c2)cc1 ZINC000009715543 569563096 /nfs/dbraw/zinc/56/30/96/569563096.db2.gz DBGXSMXHIAVHJY-UHFFFAOYSA-N 0 0 429.542 2.710 50 0 IFAARN CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c2[C@H]1c1ccccc1F ZINC000009716385 569563194 /nfs/dbraw/zinc/56/31/94/569563194.db2.gz ZJCJMNSVYCDIBV-LJQANCHMSA-N 0 0 435.455 2.997 50 0 IFAARN CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c2[C@@H]1c1ccccc1F ZINC000009716384 569563225 /nfs/dbraw/zinc/56/32/25/569563225.db2.gz ZJCJMNSVYCDIBV-IBGZPJMESA-N 0 0 435.455 2.997 50 0 IFAARN O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000070921337 569563297 /nfs/dbraw/zinc/56/32/97/569563297.db2.gz ZCUXITOWRAWGSF-UHFFFAOYSA-N 0 0 444.376 2.736 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N[C@H]1CCCC[C@H]1C)cn2C ZINC000009724271 569563650 /nfs/dbraw/zinc/56/36/50/569563650.db2.gz DVMISFLINYXOLW-BEFAXECRSA-N 0 0 433.574 2.878 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCCn2ccc3ccccc32)CC1 ZINC000009724239 569563663 /nfs/dbraw/zinc/56/36/63/569563663.db2.gz KNGGLHZUGDRMLR-UHFFFAOYSA-N 0 0 444.557 2.853 50 0 IFAARN CCCCn1c(COC(=O)c2cc(OC)cc(OC)c2)nc2cc(S(N)(=O)=O)ccc21 ZINC000009724725 569563706 /nfs/dbraw/zinc/56/37/06/569563706.db2.gz KWDIPRQQODRDPU-UHFFFAOYSA-N 0 0 447.513 2.858 50 0 IFAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C1=O ZINC000009725877 569563857 /nfs/dbraw/zinc/56/38/57/569563857.db2.gz PTLOUVCZNLUJLW-XMMPIXPASA-N 0 0 446.463 2.615 50 0 IFAARN CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009725876 569563889 /nfs/dbraw/zinc/56/38/89/569563889.db2.gz JYIZHBPQAUIVAA-UHFFFAOYSA-N 0 0 443.525 2.719 50 0 IFAARN O=C(CSc1n[nH]c(-c2ccccc2F)n1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000009726504 569563906 /nfs/dbraw/zinc/56/39/06/569563906.db2.gz GGTTYOUPSATQFA-AWEZNQCLSA-N 0 0 438.550 2.661 50 0 IFAARN C[C@H](C(=O)N1CCCC1)n1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O ZINC000009727194 569563969 /nfs/dbraw/zinc/56/39/69/569563969.db2.gz RURKIQKVFQENMN-QGZVFWFLSA-N 0 0 435.528 2.707 50 0 IFAARN COc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)NC1CC1 ZINC000009727721 569564044 /nfs/dbraw/zinc/56/40/44/569564044.db2.gz ISHXDQZQMZWJRT-UHFFFAOYSA-N 0 0 429.498 2.515 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4Cl)nc(C)n3n2)cc1 ZINC000009727807 569564079 /nfs/dbraw/zinc/56/40/79/569564079.db2.gz RIZFIUZZIQSLIG-UHFFFAOYSA-N 0 0 437.887 2.845 50 0 IFAARN CCCc1nnc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N(CC)CC)cc32)s1 ZINC000009730480 569564434 /nfs/dbraw/zinc/56/44/34/569564434.db2.gz POPRWGFRMOJYEM-UHFFFAOYSA-N 0 0 449.558 2.615 50 0 IFAARN COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000009731497 569564627 /nfs/dbraw/zinc/56/46/27/569564627.db2.gz OVVFCLRYGWLYHK-CYBMUJFWSA-N 0 0 432.527 2.648 50 0 IFAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000009731995 569564724 /nfs/dbraw/zinc/56/47/24/569564724.db2.gz QFWVDAGVDWXBKY-UHFFFAOYSA-N 0 0 430.448 2.745 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)CC1 ZINC000009737336 569564726 /nfs/dbraw/zinc/56/47/26/569564726.db2.gz LFBBNMWOZPERMH-NRFANRHFSA-N 0 0 429.476 2.836 50 0 IFAARN CCc1ccccc1NC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCCC3)ccc2N1C(C)=O ZINC000009741312 569565270 /nfs/dbraw/zinc/56/52/70/569565270.db2.gz PKBUXZHHUZVWSQ-JOCHJYFZSA-N 0 0 441.553 2.950 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)CC1 ZINC000009743176 569565427 /nfs/dbraw/zinc/56/54/27/569565427.db2.gz DTMRENRFRLFUKQ-UHFFFAOYSA-N 0 0 442.475 2.636 50 0 IFAARN Cc1ccccc1NC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009743574 569565463 /nfs/dbraw/zinc/56/54/63/569565463.db2.gz YANFZDROWUXPQX-GOSISDBHSA-N 0 0 429.542 2.683 50 0 IFAARN Cc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009743569 569565479 /nfs/dbraw/zinc/56/54/79/569565479.db2.gz YANFZDROWUXPQX-SFHVURJKSA-N 0 0 429.542 2.683 50 0 IFAARN CC(C)CCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009747386 569565827 /nfs/dbraw/zinc/56/58/27/569565827.db2.gz SBHOSSWROWMLAV-QGZVFWFLSA-N 0 0 443.997 2.552 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009747701 569565911 /nfs/dbraw/zinc/56/59/11/569565911.db2.gz WKKPPNMKXLMOTB-UHFFFAOYSA-N 0 0 431.514 2.555 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2ccccc2)c1 ZINC000009749340 569565982 /nfs/dbraw/zinc/56/59/82/569565982.db2.gz CMIOWIUWUIPZJF-HXUWFJFHSA-N 0 0 443.569 2.992 50 0 IFAARN COc1ccc(NC(=O)CSc2nccn(-c3ccccc3OC)c2=O)cc1OC ZINC000009761473 569566286 /nfs/dbraw/zinc/56/62/86/569566286.db2.gz WQWMIBUHCSHXEN-UHFFFAOYSA-N 0 0 427.482 2.989 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1ccccc1OC ZINC000009761791 569566299 /nfs/dbraw/zinc/56/62/99/569566299.db2.gz JKYWQOGXDAJDHF-UHFFFAOYSA-N 0 0 437.452 2.744 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OS(=O)(=O)c1cccs1 ZINC000009761735 569566304 /nfs/dbraw/zinc/56/63/04/569566304.db2.gz OTDSRACTSAONTD-UHFFFAOYSA-N 0 0 440.886 2.892 50 0 IFAARN CSc1ccccc1C(=O)Nc1ccc(-n2nnc(C(=O)NCC(F)(F)F)n2)cc1 ZINC000071004966 569566599 /nfs/dbraw/zinc/56/65/99/569566599.db2.gz QZKGPJDOKZGRNQ-UHFFFAOYSA-N 0 0 436.419 2.929 50 0 IFAARN CCOC(=O)c1sc2ncn(CC(=O)Nc3cc(OC)cc(OC)c3)c(=O)c2c1C ZINC000009776756 569567100 /nfs/dbraw/zinc/56/71/00/569567100.db2.gz ZKXJPCPWHUDDNL-UHFFFAOYSA-N 0 0 431.470 2.599 50 0 IFAARN Cc1ccc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c(F)c1 ZINC000009779769 569567434 /nfs/dbraw/zinc/56/74/34/569567434.db2.gz NJQVLHXOFMGKGV-UHFFFAOYSA-N 0 0 447.488 2.855 50 0 IFAARN C[C@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)c1c[nH]c2ccccc21 ZINC000009787233 569567969 /nfs/dbraw/zinc/56/79/69/569567969.db2.gz ZXDAXYPFUFGUFD-AWEZNQCLSA-N 0 0 439.493 2.801 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(-n3cccn3)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000009797965 569568567 /nfs/dbraw/zinc/56/85/67/569568567.db2.gz FROWACBPRIUUGN-NRFANRHFSA-N 0 0 446.463 2.900 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C(=O)c2ccc(F)cc2)n2cc(Cl)ccc2=O)C1 ZINC000009805527 569568759 /nfs/dbraw/zinc/56/87/59/569568759.db2.gz LSQXEIAJPUYUEJ-BEFAXECRSA-N 0 0 448.878 2.867 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000009806276 569568887 /nfs/dbraw/zinc/56/88/87/569568887.db2.gz CBKPCFROIDXHCH-IBGZPJMESA-N 0 0 429.542 2.520 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2)c(C)c1 ZINC000009806415 569568903 /nfs/dbraw/zinc/56/89/03/569568903.db2.gz ALLYPMBJJNHNSS-IBGZPJMESA-N 0 0 429.542 2.520 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009806140 569568910 /nfs/dbraw/zinc/56/89/10/569568910.db2.gz SXAYTNWKNRMNJN-KRWDZBQOSA-N 0 0 435.933 2.556 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000009807120 569568951 /nfs/dbraw/zinc/56/89/51/569568951.db2.gz PWZXFSFVKNLJNL-GOSISDBHSA-N 0 0 449.960 2.865 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c(C)c1 ZINC000009807454 569568998 /nfs/dbraw/zinc/56/89/98/569568998.db2.gz YSRSMWNRJUQSPE-IBGZPJMESA-N 0 0 443.569 2.828 50 0 IFAARN COC(=O)Cn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)COc1ccc(Cl)cc1 ZINC000009809193 569569043 /nfs/dbraw/zinc/56/90/43/569569043.db2.gz KFDWSTFSVJYSCQ-ATJXCDBQSA-N 0 0 447.900 2.994 50 0 IFAARN O=C(Nc1ccccc1)C1CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000009817130 569569253 /nfs/dbraw/zinc/56/92/53/569569253.db2.gz NXZJPLNTRZWXBN-UHFFFAOYSA-N 0 0 443.569 2.558 50 0 IFAARN COc1ccc(C(=O)NCCSCc2ccccc2F)cc1S(=O)(=O)NC1CC1 ZINC000009820562 569569372 /nfs/dbraw/zinc/56/93/72/569569372.db2.gz LZBSBXSBGFQPEF-UHFFFAOYSA-N 0 0 438.546 2.938 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC(=O)Nc2cccc(C)c2C)cc1 ZINC000009822341 569569531 /nfs/dbraw/zinc/56/95/31/569569531.db2.gz LQLJJQDRLGYXQX-NRFANRHFSA-N 0 0 443.569 2.910 50 0 IFAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009823934 569569603 /nfs/dbraw/zinc/56/96/03/569569603.db2.gz APXWMIAOTZQRJY-SFHVURJKSA-N 0 0 449.895 2.852 50 0 IFAARN COc1ccc(-c2cnc(S(=O)(=O)CC(=O)NCc3ccc(Cl)cc3)n2C)cc1 ZINC000009828781 569569937 /nfs/dbraw/zinc/56/99/37/569569937.db2.gz YHWUHEGFBXLPML-UHFFFAOYSA-N 0 0 433.917 2.839 50 0 IFAARN COc1ccccc1-n1c(C)cn2c1nc1c2c(=O)n(Cc2ccc(C)cc2)c(=O)n1C ZINC000009829379 569570069 /nfs/dbraw/zinc/57/00/69/569570069.db2.gz DADKGKNWZGIVTJ-UHFFFAOYSA-N 0 0 429.480 2.812 50 0 IFAARN COc1ccc(-n2c(C)cn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 ZINC000009829389 569570076 /nfs/dbraw/zinc/57/00/76/569570076.db2.gz SLKZAVPQZHRNLG-UHFFFAOYSA-N 0 0 429.480 2.812 50 0 IFAARN COc1cccc(-n2c(C)cn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)c1 ZINC000009829384 569570088 /nfs/dbraw/zinc/57/00/88/569570088.db2.gz VFUKKIZDRFXKTG-UHFFFAOYSA-N 0 0 429.480 2.812 50 0 IFAARN COc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1 ZINC000009829479 569570103 /nfs/dbraw/zinc/57/01/03/569570103.db2.gz JVFHIJDHNRTWSR-UHFFFAOYSA-N 0 0 429.480 2.812 50 0 IFAARN COc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1 ZINC000009829480 569570110 /nfs/dbraw/zinc/57/01/10/569570110.db2.gz IKWPFJIJZJUTJX-UHFFFAOYSA-N 0 0 447.470 2.951 50 0 IFAARN COc1cccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c1 ZINC000009829475 569570119 /nfs/dbraw/zinc/57/01/19/569570119.db2.gz HXFWWESPDKZSFE-UHFFFAOYSA-N 0 0 447.470 2.951 50 0 IFAARN COc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1S(=O)(=O)N1CCCC1 ZINC000009831825 569570211 /nfs/dbraw/zinc/57/02/11/569570211.db2.gz LQPODWXKWYICIG-UHFFFAOYSA-N 0 0 432.498 2.893 50 0 IFAARN CCOc1ccc(CC(=O)N(c2ccc(OC)cc2OC)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000009833898 569570428 /nfs/dbraw/zinc/57/04/28/569570428.db2.gz QHZVKTSEYPVRLG-QGZVFWFLSA-N 0 0 431.510 2.989 50 0 IFAARN COc1ccc(N(C(=O)c2cc(OC)cc(OC)c2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000009833939 569570495 /nfs/dbraw/zinc/57/04/95/569570495.db2.gz ZOQAEDAZKRZZAL-HNNXBMFYSA-N 0 0 433.482 2.679 50 0 IFAARN Cc1cc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)s1 ZINC000009841975 569570914 /nfs/dbraw/zinc/57/09/14/569570914.db2.gz UWPAOIRWKPUCOY-GFCCVEGCSA-N 0 0 438.527 2.546 50 0 IFAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000009845852 569570938 /nfs/dbraw/zinc/57/09/38/569570938.db2.gz WUOCDGXBRGBDHD-QGZVFWFLSA-N 0 0 425.510 2.782 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000009844657 569570956 /nfs/dbraw/zinc/57/09/56/569570956.db2.gz HYBFXERHWMSIEG-UHFFFAOYSA-N 0 0 433.917 2.859 50 0 IFAARN Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3F)c2=O)cc1Cl ZINC000009857479 569571650 /nfs/dbraw/zinc/57/16/50/569571650.db2.gz XPUAKEHUAKLXOE-UHFFFAOYSA-N 0 0 426.839 2.776 50 0 IFAARN Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)cc1Cl ZINC000009857428 569571668 /nfs/dbraw/zinc/57/16/68/569571668.db2.gz KVJQFRXJADYYKD-UHFFFAOYSA-N 0 0 426.839 2.776 50 0 IFAARN Cc1nn2c(nc(COc3cccc(NS(=O)(=O)c4ccccc4)c3)cc2=O)s1 ZINC000009858710 569571734 /nfs/dbraw/zinc/57/17/34/569571734.db2.gz KLGHBSCQRXAFEC-UHFFFAOYSA-N 0 0 428.495 2.839 50 0 IFAARN COc1ccccc1CNC(=O)c1ccc(C)c(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000009860637 569571869 /nfs/dbraw/zinc/57/18/69/569571869.db2.gz KLEIIDSNQBNRJF-MJGOQNOKSA-N 0 0 445.566 2.614 50 0 IFAARN C[C@H](NC(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)c1cc2ccccc2o1 ZINC000009862136 569572063 /nfs/dbraw/zinc/57/20/63/569572063.db2.gz ULXVDMVWTPQFOV-UONOGXRCSA-N 0 0 448.570 2.508 50 0 IFAARN COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1F ZINC000009863490 569572072 /nfs/dbraw/zinc/57/20/72/569572072.db2.gz LCBFDLJFPOXFLO-KRWDZBQOSA-N 0 0 436.505 2.564 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)c1cc2ccccc2o1 ZINC000009866500 569572243 /nfs/dbraw/zinc/57/22/43/569572243.db2.gz VPBKJZOIPUCKAE-ZLOXQWCVSA-N 0 0 435.436 2.806 50 0 IFAARN Cc1cccc(OCCNC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1 ZINC000009868952 569572309 /nfs/dbraw/zinc/57/23/09/569572309.db2.gz OYDCHPWRHLLKSA-UHFFFAOYSA-N 0 0 437.949 2.743 50 0 IFAARN NC(=O)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009871377 569572375 /nfs/dbraw/zinc/57/23/75/569572375.db2.gz ZEYIRNRHOOTGMP-QGZVFWFLSA-N 0 0 427.526 2.811 50 0 IFAARN O=S(=O)(c1ccc2oc(SCc3cn4ccccc4n3)nc2c1)N1CCOCC1 ZINC000009872598 569572474 /nfs/dbraw/zinc/57/24/74/569572474.db2.gz JOYJRTDSYBUFMJ-UHFFFAOYSA-N 0 0 430.511 2.789 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc2c(c1)OCO2 ZINC000009876736 569572686 /nfs/dbraw/zinc/57/26/86/569572686.db2.gz AHVIBUQQKQHFIA-INIZCTEOSA-N 0 0 445.541 2.659 50 0 IFAARN CCn1c(SCC(=O)Nc2ccccc2SC)nnc1-c1nonc1NC(C)=O ZINC000009877769 569572701 /nfs/dbraw/zinc/57/27/01/569572701.db2.gz SSSBPJNVRQLNOU-UHFFFAOYSA-N 0 0 433.519 2.759 50 0 IFAARN O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009884498 569572734 /nfs/dbraw/zinc/57/27/34/569572734.db2.gz VWZHEGPDNKQGDA-UHFFFAOYSA-N 0 0 434.539 2.817 50 0 IFAARN COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccccc4Cl)ccc3=O)CC2)c1 ZINC000071282079 569573670 /nfs/dbraw/zinc/57/36/70/569573670.db2.gz VVGQGSUNQDNSLX-UHFFFAOYSA-N 0 0 438.915 2.921 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)NC(=O)c2ccco2)ccc1Cl ZINC000009957203 569574797 /nfs/dbraw/zinc/57/47/97/569574797.db2.gz GQDWNRZUFUJFMH-GFCCVEGCSA-N 0 0 427.910 2.721 50 0 IFAARN CSc1ccc([C@@H]2NC(=O)N(CC(=O)NCc3ccc(C)cc3)C3=C2C(=O)OC3)cc1 ZINC000071326820 569575021 /nfs/dbraw/zinc/57/50/21/569575021.db2.gz RRSZAHVCFCTPGQ-NRFANRHFSA-N 0 0 437.521 2.911 50 0 IFAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3OC)c2C)c(OC)c1 ZINC000071327028 569575049 /nfs/dbraw/zinc/57/50/49/569575049.db2.gz JIRPAKQUEIMSAF-UHFFFAOYSA-N 0 0 425.445 2.503 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c1 ZINC000071328296 569575514 /nfs/dbraw/zinc/57/55/14/569575514.db2.gz PTERSMPIVOVMEI-UHFFFAOYSA-N 0 0 447.451 2.879 50 0 IFAARN COc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1OC ZINC000071328276 569575549 /nfs/dbraw/zinc/57/55/49/569575549.db2.gz ZIKCIMNZLPJTTF-UHFFFAOYSA-N 0 0 435.440 2.719 50 0 IFAARN Cc1cc(=O)oc2cc(OCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(Cl)cc12 ZINC000009961763 569575613 /nfs/dbraw/zinc/57/56/13/569575613.db2.gz WQBZPRXENYLZAU-UHFFFAOYSA-N 0 0 430.844 2.711 50 0 IFAARN Cc1cc(C)n2nc(SCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)nc2n1 ZINC000009963385 569575782 /nfs/dbraw/zinc/57/57/82/569575782.db2.gz ZDPOZAGARFAVAU-UHFFFAOYSA-N 0 0 425.923 2.529 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000009969261 569576061 /nfs/dbraw/zinc/57/60/61/569576061.db2.gz KVCNAGMPDZBJBN-FQEVSTJZSA-N 0 0 444.509 2.730 50 0 IFAARN O=C(CN(Cc1ccco1)C(=O)Cn1cnnn1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009983530 569576627 /nfs/dbraw/zinc/57/66/27/569576627.db2.gz NACJUDAXILHOIR-UHFFFAOYSA-N 0 0 442.785 2.606 50 0 IFAARN C[C@@H](CC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccccc1 ZINC000009984636 569576656 /nfs/dbraw/zinc/57/66/56/569576656.db2.gz AFOUBXMOIMMBTP-INIZCTEOSA-N 0 0 429.542 2.705 50 0 IFAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 ZINC000009986641 569576706 /nfs/dbraw/zinc/57/67/06/569576706.db2.gz CPMDJFUTIYUKDJ-MZNJEOGPSA-N 0 0 431.496 2.825 50 0 IFAARN CCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000009987680 569576791 /nfs/dbraw/zinc/57/67/91/569576791.db2.gz FCXDBZKSQWYTPW-UHFFFAOYSA-N 0 0 425.393 2.811 50 0 IFAARN CCOc1cc2c(cc1OCC)CN(C(=O)CCc1c(C)nc3nc(N)nn3c1C)CC2 ZINC000009990007 569576907 /nfs/dbraw/zinc/57/69/07/569576907.db2.gz SERCWCAKBHYBAU-UHFFFAOYSA-N 0 0 438.532 2.638 50 0 IFAARN COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000010034923 569577386 /nfs/dbraw/zinc/57/73/86/569577386.db2.gz TZZNVNBRFWRKMC-UHFFFAOYSA-N 0 0 447.557 2.591 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000010095913 569577774 /nfs/dbraw/zinc/57/77/74/569577774.db2.gz CGJKSYOCXALEDD-HNNXBMFYSA-N 0 0 441.937 2.635 50 0 IFAARN O=C(NCCCOCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000010103504 569577814 /nfs/dbraw/zinc/57/78/14/569577814.db2.gz LEHBPTPIZNICTP-LJQANCHMSA-N 0 0 434.533 2.950 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)c1 ZINC000010131832 569577993 /nfs/dbraw/zinc/57/79/93/569577993.db2.gz RJODQNPXHRIHLX-UHFFFAOYSA-N 0 0 425.441 2.583 50 0 IFAARN COc1cc(NC(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)cc(OC)c1 ZINC000010131863 569577999 /nfs/dbraw/zinc/57/79/99/569577999.db2.gz YWIDYMIWIBTCDO-UHFFFAOYSA-N 0 0 425.441 2.583 50 0 IFAARN Cn1c(C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc2)nc2ccccc21 ZINC000010116295 569578042 /nfs/dbraw/zinc/57/80/42/569578042.db2.gz YFYJKULXRHJWJI-HXUWFJFHSA-N 0 0 434.521 2.935 50 0 IFAARN Cc1nn(C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 ZINC000010138042 569578090 /nfs/dbraw/zinc/57/80/90/569578090.db2.gz UNSJIEQGTICPOI-UHFFFAOYSA-N 0 0 446.617 2.655 50 0 IFAARN COc1cc2ncn(CCCC(=O)NCCn3c(C)nc4ccccc43)c(=O)c2cc1OC ZINC000010164218 569578190 /nfs/dbraw/zinc/57/81/90/569578190.db2.gz MQALWGHVUAIDFR-UHFFFAOYSA-N 0 0 449.511 2.668 50 0 IFAARN COc1ccc2nc(N3CCN(C(=O)CS(=O)(=O)c4ccc(F)cc4)CC3)sc2c1 ZINC000010166295 569578223 /nfs/dbraw/zinc/57/82/23/569578223.db2.gz WNHYJQQFSJRQNY-UHFFFAOYSA-N 0 0 449.529 2.567 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000010169170 569578276 /nfs/dbraw/zinc/57/82/76/569578276.db2.gz HZBLYXZQSIFLRI-CYBMUJFWSA-N 0 0 427.457 2.666 50 0 IFAARN COc1cccc(CNC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)c1 ZINC000010186688 569578441 /nfs/dbraw/zinc/57/84/41/569578441.db2.gz CVZIYPKYQAYMGM-UHFFFAOYSA-N 0 0 425.510 2.790 50 0 IFAARN O=C(Nc1nnc(-c2ccc(F)cc2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000010186847 569578494 /nfs/dbraw/zinc/57/84/94/569578494.db2.gz WKUWGARHRHEBII-UHFFFAOYSA-N 0 0 436.490 2.977 50 0 IFAARN Cc1sc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(C(N)=O)c1C ZINC000010187249 569578597 /nfs/dbraw/zinc/57/85/97/569578597.db2.gz ZMRDEOOCVQUHET-SNVBAGLBSA-N 0 0 447.991 2.971 50 0 IFAARN CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000010253093 569579892 /nfs/dbraw/zinc/57/98/92/569579892.db2.gz NQHAQPFGABGXDD-UHFFFAOYSA-N 0 0 438.552 2.675 50 0 IFAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 ZINC000010253694 569579975 /nfs/dbraw/zinc/57/99/75/569579975.db2.gz ZYDLLRAJVAEGKK-UHFFFAOYSA-N 0 0 429.454 2.942 50 0 IFAARN Cc1c(C)n(-c2ccccc2F)c2nc3c(c(=O)n(CC(=O)c4ccccc4)c(=O)n3C)n12 ZINC000010271905 569580084 /nfs/dbraw/zinc/58/00/84/569580084.db2.gz HKUVFIPASNFZDU-UHFFFAOYSA-N 0 0 445.454 2.777 50 0 IFAARN CC(=O)[C@@H](C)n1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C(F)(F)F)cc2)n(C)c1=O ZINC000010271918 569580112 /nfs/dbraw/zinc/58/01/12/569580112.db2.gz CZLPEGXBAYLZSI-GFCCVEGCSA-N 0 0 447.417 2.924 50 0 IFAARN Cc1c(C)n(-c2ccccc2F)c2nc3c(c(=O)n(CC(=O)C(C)(C)C)c(=O)n3C)n12 ZINC000010271906 569580149 /nfs/dbraw/zinc/58/01/49/569580149.db2.gz ZOIXTRHAUOMVMJ-UHFFFAOYSA-N 0 0 425.464 2.510 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2ccc(C)cc2)S1(=O)=O ZINC000010272418 569580162 /nfs/dbraw/zinc/58/01/62/569580162.db2.gz LALBYKXHFAGARR-UHFFFAOYSA-N 0 0 445.541 2.563 50 0 IFAARN CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccc(OC)cc3OC)c2)n1 ZINC000071768559 569580722 /nfs/dbraw/zinc/58/07/22/569580722.db2.gz CWYCYUVOYOFHNN-UHFFFAOYSA-N 0 0 434.456 2.827 50 0 IFAARN Cc1cccc(S(=O)(=O)c2cnc(N3CCN(c4ccc(F)cc4)CC3)nc2N)c1 ZINC000071772144 569580926 /nfs/dbraw/zinc/58/09/26/569580926.db2.gz BKXDHQXVHDUINH-UHFFFAOYSA-N 0 0 427.505 2.666 50 0 IFAARN CN(C)CCN(C(=O)Cc1ccc(F)cc1)c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000010337361 569581267 /nfs/dbraw/zinc/58/12/67/569581267.db2.gz UDDDWKBLWKXNML-UHFFFAOYSA-N 0 0 435.546 2.976 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)cc1 ZINC000010337593 569581321 /nfs/dbraw/zinc/58/13/21/569581321.db2.gz LITWGUSVEUDEPF-UHFFFAOYSA-N 0 0 447.582 2.684 50 0 IFAARN Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cn2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000010348436 569581421 /nfs/dbraw/zinc/58/14/21/569581421.db2.gz VHBZHRNLVSIIFO-LBPRGKRZSA-N 0 0 434.465 2.696 50 0 IFAARN CS(=O)(=O)Nc1cccc(CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000010360966 569581465 /nfs/dbraw/zinc/58/14/65/569581465.db2.gz NUYOQVDLIYCDPT-UHFFFAOYSA-N 0 0 430.530 2.618 50 0 IFAARN C[C@H]1Sc2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)cc2NC1=O ZINC000010374842 569581523 /nfs/dbraw/zinc/58/15/23/569581523.db2.gz GPSUTCOHIDRPAK-CQSZACIVSA-N 0 0 445.566 2.702 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2ccccc2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000010383314 569581767 /nfs/dbraw/zinc/58/17/67/569581767.db2.gz FNQZIKUMTOJDMJ-UHFFFAOYSA-N 0 0 446.550 2.999 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(N(C)C)cc2)NC(=O)N[C@@H]1c1cccs1 ZINC000010390740 569581788 /nfs/dbraw/zinc/58/17/88/569581788.db2.gz YETQFLGNODXIFN-GOSISDBHSA-N 0 0 429.498 2.842 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCn1cnc2c(C)cccc2c1=O ZINC000010411264 569581946 /nfs/dbraw/zinc/58/19/46/569581946.db2.gz YOAVHLQLNDTKEK-UHFFFAOYSA-N 0 0 442.541 2.683 50 0 IFAARN COc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)cc1S(N)(=O)=O ZINC000071846789 569582411 /nfs/dbraw/zinc/58/24/11/569582411.db2.gz BYZYKTZTHRQBNR-KBPBESRZSA-N 0 0 425.304 2.847 50 0 IFAARN CCCCn1c2nc(CO)n(CCC)c2c(=O)n(CC(=O)c2ccc(Cl)s2)c1=O ZINC000010487478 569582508 /nfs/dbraw/zinc/58/25/08/569582508.db2.gz OLOICELCMHRMDL-UHFFFAOYSA-N 0 0 438.937 2.660 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccccc3)cc2)CC1 ZINC000010473975 569582548 /nfs/dbraw/zinc/58/25/48/569582548.db2.gz XYAFOIXGQAIEFN-UHFFFAOYSA-N 0 0 429.542 2.866 50 0 IFAARN CN(C)c1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)c1 ZINC000002694914 569582901 /nfs/dbraw/zinc/58/29/01/569582901.db2.gz YLVYLLJNGNCUFR-UHFFFAOYSA-N 0 0 446.554 2.636 50 0 IFAARN COC(=O)c1nc(NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)sc1C ZINC000095474061 569583685 /nfs/dbraw/zinc/58/36/85/569583685.db2.gz HFNDEZWFAZLWRH-UHFFFAOYSA-N 0 0 440.525 3.393 50 0 IFAARN CCCn1c2ccccc2nc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O ZINC000071810507 569583889 /nfs/dbraw/zinc/58/38/89/569583889.db2.gz OTNXDQKNRBHCHC-UHFFFAOYSA-N 0 0 426.498 3.252 50 0 IFAARN CCOc1cccc2nnc(NC(=O)CCC(=O)NCc3ccccc3C(F)(F)F)n21 ZINC000065314476 569584632 /nfs/dbraw/zinc/58/46/32/569584632.db2.gz OMRNXNKJOYFEKW-UHFFFAOYSA-N 0 0 435.406 3.182 50 0 IFAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3cc[nH]n3)[C@H]21 ZINC000604406289 569584694 /nfs/dbraw/zinc/58/46/94/569584694.db2.gz DBGYYOORNGJZOE-NRFANRHFSA-N 0 0 447.451 2.571 50 0 IFAARN Cc1nc(NC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(Cl)cc1Cl ZINC000016051208 569584780 /nfs/dbraw/zinc/58/47/80/569584780.db2.gz BSKVGHKFXRORGT-RYUDHWBXSA-N 0 0 442.299 2.744 50 0 IFAARN Cc1sc(-n2cnnn2)c(C(=O)Nc2nnc(CCc3c[nH]c4ccccc34)[nH]2)c1C ZINC000524732535 569585021 /nfs/dbraw/zinc/58/50/21/569585021.db2.gz OBRPKGNQEWDTMF-UHFFFAOYSA-N 0 0 433.501 2.978 50 0 IFAARN O=C(CN1C(=O)CCC1=O)N(C[C@@H]1CCCO1)c1nc2c(cccc2C(F)(F)F)s1 ZINC000077099412 569585248 /nfs/dbraw/zinc/58/52/48/569585248.db2.gz SQDCFALLNHIAHW-NSHDSACASA-N 0 0 441.431 2.976 50 0 IFAARN Cn1nc([C@@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)n(-c2ccccc2)c1=O ZINC000077100571 569585409 /nfs/dbraw/zinc/58/54/09/569585409.db2.gz JCARYJCJSSGSLG-QGZVFWFLSA-N 0 0 430.464 2.697 50 0 IFAARN O=C(c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000077100428 569585423 /nfs/dbraw/zinc/58/54/23/569585423.db2.gz SVWCHIREVDPFAV-UHFFFAOYSA-N 0 0 436.369 2.662 50 0 IFAARN COc1cccc(NC(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)c1OC ZINC000077146609 569585640 /nfs/dbraw/zinc/58/56/40/569585640.db2.gz DGDCBPAYZJNCCA-UHFFFAOYSA-N 0 0 437.500 3.000 50 0 IFAARN NC(=O)c1ccc(NC(=O)CN2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1 ZINC000077191099 569585899 /nfs/dbraw/zinc/58/58/99/569585899.db2.gz UQHHBAOMLSCPSM-UHFFFAOYSA-N 0 0 445.401 2.892 50 0 IFAARN CNC(=O)c1cccc(-c2noc(C3CN(S(=O)(=O)c4cccc(Cl)c4C)C3)n2)c1 ZINC000077191234 569585908 /nfs/dbraw/zinc/58/59/08/569585908.db2.gz CIOICZLHZCZNDU-UHFFFAOYSA-N 0 0 446.916 2.846 50 0 IFAARN O=C(NCCCn1ncccc1=O)C1CN(c2nc3c(cccc3C(F)(F)F)s2)C1 ZINC000077191827 569585981 /nfs/dbraw/zinc/58/59/81/569585981.db2.gz SVPRPBDBVZUSQH-UHFFFAOYSA-N 0 0 437.447 2.515 50 0 IFAARN Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC[C@@H](c3nnc(C(F)(F)F)o3)C1)CS2 ZINC000077197845 569586215 /nfs/dbraw/zinc/58/62/15/569586215.db2.gz IZLUYEQTABRATG-NEPJUHHUSA-N 0 0 443.451 2.705 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000077200904 569586576 /nfs/dbraw/zinc/58/65/76/569586576.db2.gz RGJNYQYYXMASOP-UHFFFAOYSA-N 0 0 432.498 2.663 50 0 IFAARN CCOC(=O)C1CCN(C(=O)Cn2cc(C)s/c2=N\C(=O)c2ccccc2F)CC1 ZINC000037436550 569588032 /nfs/dbraw/zinc/58/80/32/569588032.db2.gz WLHMGCCRLUBFTL-LNVKXUELSA-N 0 0 433.505 2.540 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000624086 193860139 /nfs/dbraw/zinc/86/01/39/193860139.db2.gz QTRQDJNDEKAHHF-JKALPCAWSA-N 0 0 438.480 2.556 50 0 IFAARN CCOC(=O)[C@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000000627188 193861603 /nfs/dbraw/zinc/86/16/03/193861603.db2.gz NMQCIULWPUBWEM-ZDUSSCGKSA-N 0 0 436.921 2.559 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)cc1 ZINC000000633764 193864860 /nfs/dbraw/zinc/86/48/60/193864860.db2.gz DLZAUXADFWDGRL-RHSMWYFYSA-N 0 0 431.562 2.541 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3sccc3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000633371 193864877 /nfs/dbraw/zinc/86/48/77/193864877.db2.gz WAGXRFCFXGDXIQ-GTENMVSRSA-N 0 0 440.546 2.787 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000000647769 193870824 /nfs/dbraw/zinc/87/08/24/193870824.db2.gz WNXHLWUTQRCDSP-UHFFFAOYSA-N 0 0 440.905 2.930 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 ZINC000000652610 193873057 /nfs/dbraw/zinc/87/30/57/193873057.db2.gz UUPYZYRRVJGILL-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN CC1CCN(C(=O)Cn2c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3oc2=O)CC1 ZINC000009830779 193897975 /nfs/dbraw/zinc/89/79/75/193897975.db2.gz SZHGPTJCKAKDSZ-CALCHBBNSA-N 0 0 449.573 2.520 50 0 IFAARN COc1cc(NC(=O)c2cccc(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)cc(OC)c1 ZINC000009860341 193910660 /nfs/dbraw/zinc/91/06/60/193910660.db2.gz QKCNHAZIYLQCIH-QZTJIDSGSA-N 0 0 447.538 2.636 50 0 IFAARN Cc1cccc(CCNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)c1 ZINC000009860700 193910892 /nfs/dbraw/zinc/91/08/92/193910892.db2.gz DHGASWJTXWJWCY-VQTJNVASSA-N 0 0 443.594 2.956 50 0 IFAARN COc1ccc(N2CCC[C@@H](C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)C2)nn1 ZINC000096223786 193936666 /nfs/dbraw/zinc/93/66/66/193936666.db2.gz IELHUGVHXPBDFU-MRXNPFEDSA-N 0 0 430.936 2.865 50 0 IFAARN O=C(CN1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1)Nc1ccc(F)cc1 ZINC000009067794 132226622 /nfs/dbraw/zinc/22/66/22/132226622.db2.gz USICJFGMVMINNQ-UHFFFAOYSA-N 0 0 442.510 2.964 50 0 IFAARN O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(N2CCCCC2)cc1 ZINC000009469775 132232115 /nfs/dbraw/zinc/23/21/15/132232115.db2.gz RLNUYFJZZFWPQL-UHFFFAOYSA-N 0 0 445.541 2.755 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(CCCO)c1=O)CCCN3c1ccc(Oc2ccccc2)cc1 ZINC000009519022 132232730 /nfs/dbraw/zinc/23/27/30/132232730.db2.gz QAIMUMFECRTMMX-UHFFFAOYSA-N 0 0 447.495 2.613 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000000916464 132233987 /nfs/dbraw/zinc/23/39/87/132233987.db2.gz MEZDTZKJGAEBEK-UHFFFAOYSA-N 0 0 425.913 2.594 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000943155 132235644 /nfs/dbraw/zinc/23/56/44/132235644.db2.gz DVQBBVZTMLLHQZ-UHFFFAOYSA-N 0 0 428.432 2.988 50 0 IFAARN O=C(Cc1cccc2ccccc21)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000009570252 132235829 /nfs/dbraw/zinc/23/58/29/132235829.db2.gz AXFLZYOOBFXUTC-UHFFFAOYSA-N 0 0 437.565 2.651 50 0 IFAARN CN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000982915 132236725 /nfs/dbraw/zinc/23/67/25/132236725.db2.gz JCNAMFIIWYWGFM-UHFFFAOYSA-N 0 0 442.368 2.963 50 0 IFAARN Cc1c(Cl)cccc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000001147594 132237399 /nfs/dbraw/zinc/23/73/99/132237399.db2.gz VMOTXVCWLQVDHQ-UHFFFAOYSA-N 0 0 439.940 2.902 50 0 IFAARN COc1cccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000009850689 132242120 /nfs/dbraw/zinc/24/21/20/132242120.db2.gz SQBHENOBNXEZOZ-UHFFFAOYSA-N 0 0 443.511 2.798 50 0 IFAARN O=C(/C=C\c1ccccc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000009851758 132242274 /nfs/dbraw/zinc/24/22/74/132242274.db2.gz AYSZGVYDGDYYKD-QXMHVHEDSA-N 0 0 425.496 2.632 50 0 IFAARN O=C(CCCc1ccccc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000009851816 132242427 /nfs/dbraw/zinc/24/24/27/132242427.db2.gz LFLZXBCJMCMEDV-UHFFFAOYSA-N 0 0 441.539 2.941 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000001372351 132244190 /nfs/dbraw/zinc/24/41/90/132244190.db2.gz QYSIVRNRNANAKR-UHFFFAOYSA-N 0 0 434.525 2.635 50 0 IFAARN CCn1c(=O)c2ccccc2nc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000002419746 132254201 /nfs/dbraw/zinc/25/42/01/132254201.db2.gz IBIRXXCWYDCEDD-UHFFFAOYSA-N 0 0 426.517 2.996 50 0 IFAARN COc1ccc(CCN2C(=O)C[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000002646786 132255698 /nfs/dbraw/zinc/25/56/98/132255698.db2.gz UHMNGRAKCJOPLF-NRFANRHFSA-N 0 0 427.932 2.841 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000002648919 132255964 /nfs/dbraw/zinc/25/59/64/132255964.db2.gz YDCSMBLJSFTNKC-UHFFFAOYSA-N 0 0 440.504 2.627 50 0 IFAARN O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(c2ccccc2)CC1 ZINC000002648255 132255967 /nfs/dbraw/zinc/25/59/67/132255967.db2.gz DWONEVWHIKQWBE-UHFFFAOYSA-N 0 0 425.510 2.721 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccsc4c3=O)CC2)c1C ZINC000002690023 132256312 /nfs/dbraw/zinc/25/63/12/132256312.db2.gz KTIRCNXNDYTWDU-UHFFFAOYSA-N 0 0 440.569 2.887 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(Cl)cc1 ZINC000002886200 132258221 /nfs/dbraw/zinc/25/82/21/132258221.db2.gz ZQSQAUBHDXUCTG-UHFFFAOYSA-N 0 0 439.940 2.590 50 0 IFAARN CCc1ccc(N2C[C@@H](C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)CC2=O)cc1 ZINC000003414294 132265056 /nfs/dbraw/zinc/26/50/56/132265056.db2.gz LGMJMOKSGDGSQT-KRWDZBQOSA-N 0 0 449.507 2.909 50 0 IFAARN O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1 ZINC000003964126 132268371 /nfs/dbraw/zinc/26/83/71/132268371.db2.gz KGFYHTZWPPHNLQ-AWEZNQCLSA-N 0 0 435.889 2.520 50 0 fda IFAARN CC(C)CCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000004327905 132271611 /nfs/dbraw/zinc/27/16/11/132271611.db2.gz FNLUEYXENPGACY-UHFFFAOYSA-N 0 0 430.553 2.581 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000004711107 132272694 /nfs/dbraw/zinc/27/26/94/132272694.db2.gz YVWJGMQTCWLNNE-IBGZPJMESA-N 0 0 427.520 2.628 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(c3cccc(OC)c3)CC2)c1 ZINC000004767779 132274040 /nfs/dbraw/zinc/27/40/40/132274040.db2.gz BWIGMYBXDDFSHZ-UHFFFAOYSA-N 0 0 443.525 2.787 50 0 IFAARN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000004904460 132274636 /nfs/dbraw/zinc/27/46/36/132274636.db2.gz BUFCPRXIOQWNNG-JOCHJYFZSA-N 0 0 425.485 2.554 50 0 IFAARN Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006444335 132277232 /nfs/dbraw/zinc/27/72/32/132277232.db2.gz SCSQFXKZDYLPRS-UHFFFAOYSA-N 0 0 439.541 2.962 50 0 IFAARN O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)NCCc1ccccc1F ZINC000007252380 132280447 /nfs/dbraw/zinc/28/04/47/132280447.db2.gz UKLVICABWBHVKL-QFIPXVFZSA-N 0 0 425.504 2.765 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC000007451859 132280514 /nfs/dbraw/zinc/28/05/14/132280514.db2.gz AWLXUSDENRAQPF-LJQANCHMSA-N 0 0 425.504 2.574 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1-c1noc(C)n1 ZINC000008587222 132282832 /nfs/dbraw/zinc/28/28/32/132282832.db2.gz ROPVPVRZMXTAGL-UHFFFAOYSA-N 0 0 432.477 2.704 50 0 IFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)cc1 ZINC000008594833 132284664 /nfs/dbraw/zinc/28/46/64/132284664.db2.gz GVLHUBUVOQPCNB-UHFFFAOYSA-N 0 0 427.526 2.630 50 0 IFAARN CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000008601074 132286557 /nfs/dbraw/zinc/28/65/57/132286557.db2.gz OJMVBNKAWZIASB-UHFFFAOYSA-N 0 0 447.582 2.967 50 0 IFAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000008611902 132288463 /nfs/dbraw/zinc/28/84/63/132288463.db2.gz LJHQTUUMMYLKQN-UHFFFAOYSA-N 0 0 429.329 2.539 50 0 IFAARN O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N1CCN(c2ccccc2F)CC1 ZINC000008710380 132291331 /nfs/dbraw/zinc/29/13/31/132291331.db2.gz BUUFJSSPMLXCBB-AWEZNQCLSA-N 0 0 437.566 2.709 50 0 IFAARN C[C@@H](Sc1nnnn1-c1cccc(F)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008718994 132291608 /nfs/dbraw/zinc/29/16/08/132291608.db2.gz VFVOQBFMZGEQHD-CQSZACIVSA-N 0 0 428.493 2.757 50 0 IFAARN COc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1 ZINC000008720604 132291815 /nfs/dbraw/zinc/29/18/15/132291815.db2.gz DKNDUZPEDIUOIW-UHFFFAOYSA-N 0 0 431.558 2.866 50 0 IFAARN COc1ccccc1NC(=O)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000008735172 132292287 /nfs/dbraw/zinc/29/22/87/132292287.db2.gz GCCUXFMIPNIALZ-UHFFFAOYSA-N 0 0 444.513 2.860 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1C(=O)CSc2ccccc21 ZINC000008754794 132292810 /nfs/dbraw/zinc/29/28/10/132292810.db2.gz RWXNQZFNGWBRRN-UHFFFAOYSA-N 0 0 448.342 2.951 50 0 IFAARN CCc1ccccc1N1C[C@H](C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1=O ZINC000008825467 132295285 /nfs/dbraw/zinc/29/52/85/132295285.db2.gz MCSJQXBWPLBRQI-QGZVFWFLSA-N 0 0 449.507 2.909 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1 ZINC000008855079 132296207 /nfs/dbraw/zinc/29/62/07/132296207.db2.gz ACVLKVNDZSSLPZ-FQEVSTJZSA-N 0 0 441.915 2.971 50 0 IFAARN O=C(NC[C@H]1C[C@H]2c3ccccc3CCN2O1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000008857037 132296373 /nfs/dbraw/zinc/29/63/73/132296373.db2.gz RSPLRIXLWYQLRT-MJGOQNOKSA-N 0 0 427.936 2.766 50 0 IFAARN CCc1nn([C@@H](C)C(=O)N2CCN(c3cccc(OC)c3)CC2)c(=O)c2cc3occc3n21 ZINC000008964989 132298763 /nfs/dbraw/zinc/29/87/63/132298763.db2.gz AMFPEYSERBBPQA-INIZCTEOSA-N 0 0 449.511 2.723 50 0 IFAARN CCOc1ccccc1N1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CC[N@H+](C)C[C@@H]32)C1=O ZINC000008974672 132299542 /nfs/dbraw/zinc/29/95/42/132299542.db2.gz RJACSUWJZCCQGC-YKSBVNFPSA-N 0 0 434.496 2.872 50 0 IFAARN COc1cccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2F)c4=O)c1 ZINC000009012558 132300639 /nfs/dbraw/zinc/30/06/39/132300639.db2.gz LOALYLQTGGSWCG-OAHLLOKOSA-N 0 0 449.486 2.881 50 0 IFAARN CCc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)cc1 ZINC000009119194 132304713 /nfs/dbraw/zinc/30/47/13/132304713.db2.gz HZKJMOGPEXXGLU-UHFFFAOYSA-N 0 0 443.544 2.825 50 0 IFAARN COc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccc(F)cc2)c4=O)cc1 ZINC000009160556 132307383 /nfs/dbraw/zinc/30/73/83/132307383.db2.gz GYVMJGDATSEGKO-HNNXBMFYSA-N 0 0 449.486 2.881 50 0 IFAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)C1CC1 ZINC000009207635 132308634 /nfs/dbraw/zinc/30/86/34/132308634.db2.gz BALOCIRNOUWDAJ-MRXNPFEDSA-N 0 0 431.533 2.865 50 0 IFAARN COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1S(=O)(=O)N1CCCC1 ZINC000009285878 132312486 /nfs/dbraw/zinc/31/24/86/132312486.db2.gz XZDJEFQSFLROHQ-UHFFFAOYSA-N 0 0 445.541 2.569 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000009341442 132314101 /nfs/dbraw/zinc/31/41/01/132314101.db2.gz ORZLKSXTUZGZDJ-OAQYLSRUSA-N 0 0 431.533 2.636 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1N1CCOCC1 ZINC000009414463 132316237 /nfs/dbraw/zinc/31/62/37/132316237.db2.gz QRUNIPYWFMHDRN-UHFFFAOYSA-N 0 0 435.571 2.550 50 0 IFAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)Nc1ccc(F)cc1 ZINC000009430562 132317085 /nfs/dbraw/zinc/31/70/85/132317085.db2.gz BBDDUFZJHVJOJP-UHFFFAOYSA-N 0 0 449.529 2.688 50 0 IFAARN O=C(CCNS(=O)(=O)c1cccs1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009468288 132318380 /nfs/dbraw/zinc/31/83/80/132318380.db2.gz PZAGCOLRXSOJCA-UHFFFAOYSA-N 0 0 447.504 2.784 50 0 IFAARN O=C(CCn1c(=O)oc2ccccc21)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000009477132 132318920 /nfs/dbraw/zinc/31/89/20/132318920.db2.gz MAUPVWCDCYOSSY-OAQYLSRUSA-N 0 0 435.480 2.791 50 0 IFAARN CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009491348 132319330 /nfs/dbraw/zinc/31/93/30/132319330.db2.gz YXAKOZSHMGNSRE-UHFFFAOYSA-N 0 0 428.558 2.754 50 0 IFAARN CCN1c2ccc(S(=O)(=O)N(C)C)cc2N[C@@H](CC(=O)Nc2c(C)cccc2C)C1=O ZINC000009631642 132323958 /nfs/dbraw/zinc/32/39/58/132323958.db2.gz DIOVYHADHIIJRO-SFHVURJKSA-N 0 0 444.557 2.730 50 0 IFAARN Cc1ccc(C)c(NC(=O)CCc2nnc3ccc(N4CCC5(CC4)OCCO5)nn32)c1 ZINC000009745284 132328128 /nfs/dbraw/zinc/32/81/28/132328128.db2.gz GHHGDEOHXZESQY-UHFFFAOYSA-N 0 0 436.516 2.656 50 0 IFAARN O=C(Cn1ncc2c1-c1ccccc1OC2)NCCCN1CCN(c2ccccc2F)CC1 ZINC000009831055 132329489 /nfs/dbraw/zinc/32/94/89/132329489.db2.gz PIMRSWGDXQNKED-UHFFFAOYSA-N 0 0 449.530 2.910 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 ZINC000009938796 132332412 /nfs/dbraw/zinc/33/24/12/132332412.db2.gz QPZQSQCFCAUBLR-ZDUSSCGKSA-N 0 0 429.523 2.980 50 0 IFAARN Cc1nc(Cc2nnc(SCC(=O)N3CCN(c4ccc(O)cc4)CC3)o2)cs1 ZINC000009951744 132332678 /nfs/dbraw/zinc/33/26/78/132332678.db2.gz QBKZYHYQDWYACM-UHFFFAOYSA-N 0 0 431.543 2.572 50 0 IFAARN O=S(=O)(c1nnn2c3ccsc3c(N3CCOCC3)nc12)c1ccc(Cl)cc1 ZINC000009971162 132333226 /nfs/dbraw/zinc/33/32/26/132333226.db2.gz DARCUAZIRNWVDK-UHFFFAOYSA-N 0 0 435.918 2.662 50 0 IFAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)N1CCCc3ccccc31)C2=O ZINC000009985688 132333599 /nfs/dbraw/zinc/33/35/99/132333599.db2.gz KNDLITRGKXMGRH-VOIUYBSRSA-N 0 0 441.528 2.646 50 0 IFAARN Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)c1 ZINC000010105026 132334860 /nfs/dbraw/zinc/33/48/60/132334860.db2.gz WXCRRBNNYRXRTL-UHFFFAOYSA-N 0 0 443.507 2.938 50 0 IFAARN CCCn1nc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c2ccccc2c1=O ZINC000011010106 132336911 /nfs/dbraw/zinc/33/69/11/132336911.db2.gz JPSJKRJDNVCHSD-UHFFFAOYSA-N 0 0 434.544 2.991 50 0 IFAARN CC(C)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCN(c2cnccn2)CC1 ZINC000011542967 132337893 /nfs/dbraw/zinc/33/78/93/132337893.db2.gz IRPONUFPLUNQCZ-DEOSSOPVSA-N 0 0 431.540 2.662 50 0 IFAARN O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(c2ccc(F)cc2)CC1 ZINC000011613619 132338280 /nfs/dbraw/zinc/33/82/80/132338280.db2.gz PIJBNPYPIJYQAZ-QGZVFWFLSA-N 0 0 428.533 2.647 50 0 IFAARN O=C(CS(=O)(=O)c1ccc(Br)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000011666514 132338438 /nfs/dbraw/zinc/33/84/38/132338438.db2.gz OQVZCFJEAVWMIK-UHFFFAOYSA-N 0 0 447.351 2.772 50 0 IFAARN Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)nn2)n1 ZINC000011697296 132338994 /nfs/dbraw/zinc/33/89/94/132338994.db2.gz MVGAWWARSLLMCX-UHFFFAOYSA-N 0 0 428.493 2.574 50 0 IFAARN O=C(NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000011796195 132340163 /nfs/dbraw/zinc/34/01/63/132340163.db2.gz AAKPNRVLVGZWKZ-UHFFFAOYSA-N 0 0 439.940 2.751 50 0 IFAARN O=C(Cc1ccccc1Cl)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000011796140 132340165 /nfs/dbraw/zinc/34/01/65/132340165.db2.gz MJBXQGARGJMPAA-UHFFFAOYSA-N 0 0 435.977 2.541 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)CCCc3ccccc3)CC2)c1 ZINC000011796697 132340255 /nfs/dbraw/zinc/34/02/55/132340255.db2.gz BYBMAPMBMXGRNU-UHFFFAOYSA-N 0 0 443.613 2.976 50 0 IFAARN O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1 ZINC000011796344 132340257 /nfs/dbraw/zinc/34/02/57/132340257.db2.gz HYQZPOQUELTGTE-UHFFFAOYSA-N 0 0 439.940 2.751 50 0 IFAARN Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)nn2)c(C)c1C ZINC000013009376 132342344 /nfs/dbraw/zinc/34/23/44/132342344.db2.gz HPUWAPSEWLTOPR-UHFFFAOYSA-N 0 0 440.573 2.715 50 0 IFAARN Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cc(C(C)C)ccc4C)CC3)nn2)n1 ZINC000013009310 132342360 /nfs/dbraw/zinc/34/23/60/132342360.db2.gz ZKUHUFGEUDUOPY-UHFFFAOYSA-N 0 0 440.573 2.913 50 0 IFAARN CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(C)cc2)CC1 ZINC000013036852 132342654 /nfs/dbraw/zinc/34/26/54/132342654.db2.gz ZUXQTKUHRAXOLK-UHFFFAOYSA-N 0 0 443.511 2.880 50 0 IFAARN CC(=O)c1ccc(N2CCN([C@H](C)C(=O)N(C)CC(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000013059652 132343665 /nfs/dbraw/zinc/34/36/65/132343665.db2.gz RLAPWXCAXBZJNS-LJQANCHMSA-N 0 0 436.556 2.805 50 0 IFAARN CC(=O)c1ccc(N2CCN(CC(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000013063507 132343848 /nfs/dbraw/zinc/34/38/48/132343848.db2.gz MCKRESSPFTYDEG-UHFFFAOYSA-N 0 0 436.556 2.691 50 0 IFAARN Cc1ccccc1C(=O)NCCC(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000013120688 132345325 /nfs/dbraw/zinc/34/53/25/132345325.db2.gz XHUTWDQKLCXOGR-QFIPXVFZSA-N 0 0 435.524 2.922 50 0 IFAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCN(c2ncccn2)CC1 ZINC000013128130 132345522 /nfs/dbraw/zinc/34/55/22/132345522.db2.gz PWKWWDGMXFUBEL-UHFFFAOYSA-N 0 0 439.520 2.650 50 0 IFAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ccccn2)CC1 ZINC000013164267 132346061 /nfs/dbraw/zinc/34/60/61/132346061.db2.gz UGIFGVCTBAKUNT-SFHVURJKSA-N 0 0 432.977 2.935 50 0 IFAARN COc1cccc(NC(=O)[C@H](CCSC)NC(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000013552231 132349651 /nfs/dbraw/zinc/34/96/51/132349651.db2.gz LCHYXXAEILQZNX-KRWDZBQOSA-N 0 0 428.514 2.924 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1C ZINC000013580487 132350894 /nfs/dbraw/zinc/35/08/94/132350894.db2.gz QBCWUQZXYQQVTO-UHFFFAOYSA-N 0 0 427.570 2.978 50 0 IFAARN O=S(=O)(Cc1ccccc1)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 ZINC000013663055 132352661 /nfs/dbraw/zinc/35/26/61/132352661.db2.gz KHDARQOQMSHBGY-UHFFFAOYSA-N 0 0 438.509 2.524 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccco5)n4n3)CC2)s1 ZINC000013848271 132355124 /nfs/dbraw/zinc/35/51/24/132355124.db2.gz VZEGTKYYDSNUSO-UHFFFAOYSA-N 0 0 444.542 2.519 50 0 IFAARN CCN(CC(=O)NCc1cccs1)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000014182942 132356510 /nfs/dbraw/zinc/35/65/10/132356510.db2.gz OMEQMAIKNDJBAY-UHFFFAOYSA-N 0 0 440.569 2.984 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CN1CCN(c3ccccc3OC)CC1)CCC2 ZINC000014196318 132356622 /nfs/dbraw/zinc/35/66/22/132356622.db2.gz NISRBBFPEKFHQS-UHFFFAOYSA-N 0 0 429.542 2.793 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C1=O)OCO2 ZINC000012748819 518293215 /nfs/dbraw/zinc/29/32/15/518293215.db2.gz ZMCLWZPEOMUIDY-DEOSSOPVSA-N 0 0 449.463 2.512 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C1=O)OCO2 ZINC000012748825 518293563 /nfs/dbraw/zinc/29/35/63/518293563.db2.gz ZMCLWZPEOMUIDY-XMMPIXPASA-N 0 0 449.463 2.512 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(NC[C@H]3CCCO3)s1)OCO2 ZINC000012761634 518294800 /nfs/dbraw/zinc/29/48/00/518294800.db2.gz MANPTXCHBFGRJD-LLVKDONJSA-N 0 0 436.515 2.791 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)CCn3nc(-c4ccc(F)cc4)ccc3=O)CC2)cc1 ZINC000041252932 518347570 /nfs/dbraw/zinc/34/75/70/518347570.db2.gz QVBNESNZXUTKEM-UHFFFAOYSA-N 0 0 448.498 2.991 50 0 IFAARN CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(Cc4ccccc4C)CC3)CC2)cc1 ZINC000012556342 518350019 /nfs/dbraw/zinc/35/00/19/518350019.db2.gz MPOSYKJZYOHNKX-UHFFFAOYSA-N 0 0 434.584 2.664 50 0 IFAARN CC(=O)c1ccc(NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)cc1 ZINC000020933096 518385073 /nfs/dbraw/zinc/38/50/73/518385073.db2.gz VNZNVUMENAXLHI-UHFFFAOYSA-N 0 0 435.461 2.881 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2nc(-c3ccccc3C)no2)cc1 ZINC000012879420 518406992 /nfs/dbraw/zinc/40/69/92/518406992.db2.gz OPZFKVJHIJVTOM-CQSZACIVSA-N 0 0 443.481 2.658 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCc2ccc(C(F)(F)F)cc2)c1 ZINC000023235506 518460970 /nfs/dbraw/zinc/46/09/70/518460970.db2.gz ZPPUQEKHLWNARE-UHFFFAOYSA-N 0 0 442.459 2.935 50 0 IFAARN CC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCCCC1)CN2c1ccccc1 ZINC000035744003 518562113 /nfs/dbraw/zinc/56/21/13/518562113.db2.gz GFPABBVOHGLEAP-UHFFFAOYSA-N 0 0 440.588 2.713 50 0 IFAARN CC(C)(C)CC(=O)N1CCN(c2ncccc2C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000022654689 518615235 /nfs/dbraw/zinc/61/52/35/518615235.db2.gz MCYQESCHFRMRNZ-UHFFFAOYSA-N 0 0 438.528 2.825 50 0 IFAARN CC(C)(C)c1ccccc1OC[C@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000022021145 519061869 /nfs/dbraw/zinc/06/18/69/519061869.db2.gz VTEVNHUIKVBJJX-VOIUYBSRSA-N 0 0 440.496 2.920 50 0 IFAARN CC(=O)CCC(=O)N1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(CC3CC3)C2=O)CC1 ZINC000012197651 519387251 /nfs/dbraw/zinc/38/72/51/519387251.db2.gz ZAJHTEMNCZKMNV-DEOSSOPVSA-N 0 0 443.519 2.677 50 0 IFAARN CC(C)=C[C@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1(C)C ZINC000012696507 519446193 /nfs/dbraw/zinc/44/61/93/519446193.db2.gz LWZJUWCHDLHKRH-GHTZIAJQSA-N 0 0 448.585 2.919 50 0 IFAARN CC(C)Cn1cc(C(=O)NCC2(O)CCCCC2)c(=O)c(C(=O)N2CCCCCC2)c1 ZINC000012330071 519495856 /nfs/dbraw/zinc/49/58/56/519495856.db2.gz HKZWURPDNIAGAQ-UHFFFAOYSA-N 0 0 431.577 2.946 50 0 IFAARN CC(C)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCCCC2)c1 ZINC000036019364 519521689 /nfs/dbraw/zinc/52/16/89/519521689.db2.gz LGTKHDGIRIMIBE-UHFFFAOYSA-N 0 0 426.561 2.966 50 0 IFAARN CC(C)Cn1cnc2c1c(=O)n(CC(=O)NCCC1=CCCCC1)c(=O)n2CC(C)C ZINC000014354582 519530285 /nfs/dbraw/zinc/53/02/85/519530285.db2.gz QCGHVFYQNCSZQX-UHFFFAOYSA-N 0 0 429.565 2.678 50 0 IFAARN CC(C)N(C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2)C1CCCCC1 ZINC000020509157 519555221 /nfs/dbraw/zinc/55/52/21/519555221.db2.gz BIPPZFMLSLTDLQ-UHFFFAOYSA-N 0 0 439.603 2.921 50 0 IFAARN CC(=O)N1CCN(C(=O)CN(C)C(=O)c2csc(Nc3cc(Cl)ccc3C)n2)CC1 ZINC000036010360 519570286 /nfs/dbraw/zinc/57/02/86/519570286.db2.gz FDWWEQGSQIAZAB-UHFFFAOYSA-N 0 0 449.964 2.611 50 0 IFAARN CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)Cc2cc(F)cc(F)c2)CCO3)CC1 ZINC000020784150 519586892 /nfs/dbraw/zinc/58/68/92/519586892.db2.gz NDEBFKLZYVFYRT-UHFFFAOYSA-N 0 0 443.494 2.593 50 0 IFAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](c3cccs3)C(C)C)cc2)CC1 ZINC000015182667 519589310 /nfs/dbraw/zinc/58/93/10/519589310.db2.gz IVEKHQUAVAYZJS-HXUWFJFHSA-N 0 0 449.598 2.728 50 0 IFAARN CC(C)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccco1 ZINC000036061744 519635634 /nfs/dbraw/zinc/63/56/34/519635634.db2.gz QGAJEKHSAYIEKE-UHFFFAOYSA-N 0 0 433.512 2.936 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000015775566 519638757 /nfs/dbraw/zinc/63/87/57/519638757.db2.gz VJULFJSSVGZPCD-NRFANRHFSA-N 0 0 427.526 2.696 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)Nc1ccccc1C ZINC000021022146 519639030 /nfs/dbraw/zinc/63/90/30/519639030.db2.gz ACPDCJUWSRSQKO-NRFANRHFSA-N 0 0 427.526 2.696 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)Nc1ccccc1F ZINC000021022839 519639415 /nfs/dbraw/zinc/63/94/15/519639415.db2.gz AIDNUBHLAFPLNU-OAQYLSRUSA-N 0 0 445.516 2.917 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c3ccccc3)cc2C[C@H]1C ZINC000020529469 519639461 /nfs/dbraw/zinc/63/94/61/519639461.db2.gz KFJVSUNZXLTWPF-HZPDHXFCSA-N 0 0 429.542 2.530 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3F)cc2C[C@H]1C ZINC000020529388 519639862 /nfs/dbraw/zinc/63/98/62/519639862.db2.gz YSLCEEWOASRXJZ-GFCCVEGCSA-N 0 0 437.468 2.569 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(Cl)cc3)cc2C[C@H]1C ZINC000020529373 519639934 /nfs/dbraw/zinc/63/99/34/519639934.db2.gz BXVAIHBJRCTZIT-CYBMUJFWSA-N 0 0 435.933 2.945 50 0 IFAARN CC(C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000015678613 519657267 /nfs/dbraw/zinc/65/72/67/519657267.db2.gz OENZNKCSVHHCID-UHFFFAOYSA-N 0 0 427.526 2.586 50 0 IFAARN CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)c1ccccc1 ZINC000012763440 519683100 /nfs/dbraw/zinc/68/31/00/519683100.db2.gz ISIDIDQEAJFKCO-QHCPKHFHSA-N 0 0 436.556 2.654 50 0 IFAARN CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1 ZINC000035267078 519694810 /nfs/dbraw/zinc/69/48/10/519694810.db2.gz OXNQACLGIKCTHW-JOCHJYFZSA-N 0 0 436.556 2.654 50 0 IFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012804902 519699045 /nfs/dbraw/zinc/69/90/45/519699045.db2.gz VKWAIRXJRQCDMP-BFUOFWGJSA-N 0 0 437.452 2.514 50 0 IFAARN CC(C)CN(C(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000021612927 519705325 /nfs/dbraw/zinc/70/53/25/519705325.db2.gz CGFUZSIYPWXSPL-MRXNPFEDSA-N 0 0 445.965 2.712 50 0 IFAARN CC(C)CN(C(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12)[C@@H]1CCS(=O)(=O)C1 ZINC000012633921 519705542 /nfs/dbraw/zinc/70/55/42/519705542.db2.gz YCYNWJPFANYRIM-QAPCUYQASA-N 0 0 434.587 2.825 50 0 IFAARN CC(C)NC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012510708 519708886 /nfs/dbraw/zinc/70/88/86/519708886.db2.gz QYKWWTJKUYJSME-UHFFFAOYSA-N 0 0 427.910 2.503 50 0 IFAARN CC(C)NC(=O)N1CCN(c2ccc(NC(=O)C3CCC3)cc2C(=O)N2CCCC2)CC1 ZINC000035992522 519710941 /nfs/dbraw/zinc/71/09/41/519710941.db2.gz ZGQLQOHWXAUDTG-UHFFFAOYSA-N 0 0 441.576 2.901 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1Cl ZINC000012773229 519726277 /nfs/dbraw/zinc/72/62/77/519726277.db2.gz XTCNLJSMGGVYGQ-UHFFFAOYSA-N 0 0 443.934 2.633 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000012748781 519730510 /nfs/dbraw/zinc/73/05/10/519730510.db2.gz WAPHHAVILAFRGH-UHFFFAOYSA-N 0 0 437.521 2.945 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nc(C(C)(C)C)cs3)CC2)cc1 ZINC000022605427 519730514 /nfs/dbraw/zinc/73/05/14/519730514.db2.gz DOPZTXVBRHKOSU-UHFFFAOYSA-N 0 0 436.603 2.906 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012887331 519730639 /nfs/dbraw/zinc/73/06/39/519730639.db2.gz PUFAUNJSGVSNDY-UHFFFAOYSA-N 0 0 442.463 2.960 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000012757994 519730933 /nfs/dbraw/zinc/73/09/33/519730933.db2.gz LGZYCODOVACNSS-UHFFFAOYSA-N 0 0 443.447 2.601 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000012624368 519731374 /nfs/dbraw/zinc/73/13/74/519731374.db2.gz PUZOZZQWQMOSEJ-UHFFFAOYSA-N 0 0 429.420 2.971 50 0 IFAARN CC(=O)Nc1ccc(SCCCC(=O)N2CCN(CCc3ccccc3)CC2)nn1 ZINC000021148933 519732226 /nfs/dbraw/zinc/73/22/26/519732226.db2.gz HWYNRIOTEHRJQH-UHFFFAOYSA-N 0 0 427.574 2.694 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000012382663 519733215 /nfs/dbraw/zinc/73/32/15/519733215.db2.gz XWHPBSNTIKLWKV-UHFFFAOYSA-N 0 0 440.905 2.815 50 0 IFAARN CC(C)CNC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012511627 519735405 /nfs/dbraw/zinc/73/54/05/519735405.db2.gz FQRMECCUFFNFON-UHFFFAOYSA-N 0 0 441.937 2.750 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(c3nc4cccnc4n(C)c3=O)C2)cc1 ZINC000033259625 519779470 /nfs/dbraw/zinc/77/94/70/519779470.db2.gz WYYUXJFTWNQTJW-SFHVURJKSA-N 0 0 435.528 2.649 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1 ZINC000021808127 519779544 /nfs/dbraw/zinc/77/95/44/519779544.db2.gz HKNFLTODHXDXET-KRWDZBQOSA-N 0 0 429.546 2.737 50 0 IFAARN CC(C)[C@@H](NC(=O)CN1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000022848464 519796983 /nfs/dbraw/zinc/79/69/83/519796983.db2.gz ZZXGUYDXZRDROO-UMEGOILYSA-N 0 0 446.611 2.761 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012781287 519798566 /nfs/dbraw/zinc/79/85/66/519798566.db2.gz UBXBMOGMKNDFGN-RDTXWAMCSA-N 0 0 441.484 2.730 50 0 IFAARN CC(C)[C@H]1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036014264 519828316 /nfs/dbraw/zinc/82/83/16/519828316.db2.gz MAELUKXTWCCZTD-OAQYLSRUSA-N 0 0 445.560 2.963 50 0 IFAARN CC(C)c1ccc(-n2ccnc2SCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000040062175 519834125 /nfs/dbraw/zinc/83/41/25/519834125.db2.gz IUPUNHSJRSMANE-UHFFFAOYSA-N 0 0 436.603 2.628 50 0 IFAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O ZINC000035534733 519849215 /nfs/dbraw/zinc/84/92/15/519849215.db2.gz XARNMCIAMKUACL-UHFFFAOYSA-N 0 0 436.436 2.905 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)C1 ZINC000035555843 519890465 /nfs/dbraw/zinc/89/04/65/519890465.db2.gz YWEJBUOHFJUSKL-CQSZACIVSA-N 0 0 438.575 2.911 50 0 IFAARN CCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3C)CC2)N1C(=O)c1ccccc1 ZINC000035986799 519890724 /nfs/dbraw/zinc/89/07/24/519890724.db2.gz KLMDMFOBLRCFFK-QFIPXVFZSA-N 0 0 449.551 2.995 50 0 IFAARN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)c(OCC(N)=O)c(OCC)c2)NC(=O)N1 ZINC000016382578 519893497 /nfs/dbraw/zinc/89/34/97/519893497.db2.gz WRCPSIGVTGPDLG-KRWDZBQOSA-N 0 0 439.896 2.574 50 0 IFAARN CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1csc(C)n1)CC2 ZINC000014743101 519902448 /nfs/dbraw/zinc/90/24/48/519902448.db2.gz DQHPSHUZHCZYSJ-UHFFFAOYSA-N 0 0 439.541 2.653 50 0 IFAARN CCCCC(=O)Nc1ccc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1C(=O)[O-] ZINC000035422652 519914607 /nfs/dbraw/zinc/91/46/07/519914607.db2.gz HKADOTNZXLXGIM-UHFFFAOYSA-N 0 0 430.549 2.824 50 0 IFAARN CC(C)n1c(=O)cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n(C(C)C)c1=O ZINC000035536807 519919966 /nfs/dbraw/zinc/91/99/66/519919966.db2.gz PDBHXCSKWZCTAX-UHFFFAOYSA-N 0 0 448.951 2.553 50 0 IFAARN CC(C)n1c2ccc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc2sc1=O ZINC000035508392 519925618 /nfs/dbraw/zinc/92/56/18/519925618.db2.gz YDAKVYQKGURNTQ-UHFFFAOYSA-N 0 0 432.527 2.635 50 0 IFAARN CCN(C(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@@H]1CCS(=O)(=O)C1 ZINC000012847406 520015527 /nfs/dbraw/zinc/01/55/27/520015527.db2.gz AJRMNFKVAOTOAJ-GDBMZVCRSA-N 0 0 432.542 2.628 50 0 IFAARN CCCCCN(C(=O)COC(=O)c1cccc(C)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000009663339 520141779 /nfs/dbraw/zinc/14/17/79/520141779.db2.gz ZHMUJIXMXOLEFE-UHFFFAOYSA-N 0 0 444.532 2.608 50 0 IFAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000012523259 520318063 /nfs/dbraw/zinc/31/80/63/520318063.db2.gz WUBVWLBJNVZKCG-UHFFFAOYSA-N 0 0 437.518 2.647 50 0 IFAARN CCN(CC(=O)NCc1cccs1)C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC000021352142 520340587 /nfs/dbraw/zinc/34/05/87/520340587.db2.gz YZZQXKJABIRDOV-MRXNPFEDSA-N 0 0 429.542 2.583 50 0 IFAARN CCCCN(C(=O)c1ccc(F)cc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000033462978 520358739 /nfs/dbraw/zinc/35/87/39/520358739.db2.gz ZAVCVKZZWNOOLU-UHFFFAOYSA-N 0 0 428.439 2.892 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C=C/c1cccc(OC)c1OC ZINC000012872150 520362773 /nfs/dbraw/zinc/36/27/73/520362773.db2.gz WBGQNXNTMIHTOU-DHZHZOJOSA-N 0 0 426.469 2.975 50 0 IFAARN CCCOc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000035594979 520413182 /nfs/dbraw/zinc/41/31/82/520413182.db2.gz DNOVKPVTPFEEGT-OAQYLSRUSA-N 0 0 432.542 2.662 50 0 IFAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000012757061 520436653 /nfs/dbraw/zinc/43/66/53/520436653.db2.gz GFPSGXHFTDQVHG-UHFFFAOYSA-N 0 0 446.507 2.846 50 0 IFAARN CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000012761778 520477122 /nfs/dbraw/zinc/47/71/22/520477122.db2.gz PQATUAZIGSMRHW-ZBFHGGJFSA-N 0 0 446.447 2.796 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@@H]1c1ccsc1 ZINC000035991613 520509500 /nfs/dbraw/zinc/50/95/00/520509500.db2.gz HZRVIOAAWWRAKP-LJQANCHMSA-N 0 0 449.573 2.927 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(Cc3sc4ccccc4c3Cl)CC2)NC(=O)NC1 ZINC000022786002 520513547 /nfs/dbraw/zinc/51/35/47/520513547.db2.gz YCMKBDTXJQOEFU-UHFFFAOYSA-N 0 0 448.976 2.802 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2cccc(C)c2C)[C@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870163 520515943 /nfs/dbraw/zinc/51/59/43/520515943.db2.gz JGALHMKCFHKIEW-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(c3cccc(Cl)c3)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000015378597 520516315 /nfs/dbraw/zinc/51/63/15/520516315.db2.gz OFWQOPLCHMMYTP-HXUWFJFHSA-N 0 0 444.919 2.926 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(C)c(C)c2)[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000021870115 520516535 /nfs/dbraw/zinc/51/65/35/520516535.db2.gz HDCGRBAXAOYEQZ-JOCHJYFZSA-N 0 0 435.590 2.509 50 0 IFAARN CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991390 520517604 /nfs/dbraw/zinc/51/76/04/520517604.db2.gz JNYULFZOUTVFLE-QGZVFWFLSA-N 0 0 428.316 2.839 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)NC(=O)N[C@@H]1C ZINC000012639387 520521960 /nfs/dbraw/zinc/52/19/60/520521960.db2.gz WCNMZWWKMUPAIB-LLVKDONJSA-N 0 0 432.864 2.509 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(OCc3c(C)noc3C)cc2)NC(=O)N[C@@H]1C ZINC000012696207 520523006 /nfs/dbraw/zinc/52/30/06/520523006.db2.gz JOJUISVGXPYKPG-CYBMUJFWSA-N 0 0 443.456 2.546 50 0 IFAARN CCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@@H](C(F)(F)F)C[C@@H]2C)n(C)n1 ZINC000020606136 520543525 /nfs/dbraw/zinc/54/35/25/520543525.db2.gz ZLAIFHKHIZJRST-SWLSCSKDSA-N 0 0 426.443 2.949 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccc1Cl)C(=O)CO2 ZINC000035377004 520555895 /nfs/dbraw/zinc/55/58/95/520555895.db2.gz FVYSQBGTERAWOP-UHFFFAOYSA-N 0 0 429.904 2.864 50 0 IFAARN CCN(CC)C(=O)c1ccc(OCC(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(OC)c1 ZINC000012411577 520556208 /nfs/dbraw/zinc/55/62/08/520556208.db2.gz BXBZKHIUTDYDMN-UHFFFAOYSA-N 0 0 425.485 2.629 50 0 IFAARN CCCCN1C(=O)C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)[C@H]1c1ccc(OC)cc1 ZINC000012685438 520559977 /nfs/dbraw/zinc/55/99/77/520559977.db2.gz RPYHOAZVWPIQLN-IFMALSPDSA-N 0 0 437.544 2.524 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2cc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)CC1 ZINC000035560946 520568765 /nfs/dbraw/zinc/56/87/65/520568765.db2.gz RDYWILVBGLWUHF-UHFFFAOYSA-N 0 0 449.573 2.624 50 0 IFAARN CCOC(=O)CCCNC(=O)CSc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000012779541 520645180 /nfs/dbraw/zinc/64/51/80/520645180.db2.gz AWBXEPJXZYBUMK-UHFFFAOYSA-N 0 0 427.324 2.786 50 0 IFAARN CCOc1cc(C(=O)OCC(=O)NC(CC)CC)ccc1OCC(=O)N1CCCCC1 ZINC000012805731 520669641 /nfs/dbraw/zinc/66/96/41/520669641.db2.gz SMQNMSZTMYNUSL-UHFFFAOYSA-N 0 0 434.533 2.938 50 0 IFAARN CC1(C)c2cc(S(=O)(=O)N3CCCCC3)ccc2N(CC(=O)NC2CCCC2)C1=O ZINC000035398749 520685282 /nfs/dbraw/zinc/68/52/82/520685282.db2.gz DZGMHUCQGBDZEX-UHFFFAOYSA-N 0 0 433.574 2.544 50 0 IFAARN CCCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(F)cc1)N2 ZINC000020768073 520686477 /nfs/dbraw/zinc/68/64/77/520686477.db2.gz HNISPXUUJJHFHO-IBGZPJMESA-N 0 0 433.505 2.703 50 0 IFAARN CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(C)n1 ZINC000012522896 520698424 /nfs/dbraw/zinc/69/84/24/520698424.db2.gz MBIFSWRBNOLSNU-UHFFFAOYSA-N 0 0 432.546 2.875 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 ZINC000012848930 520723065 /nfs/dbraw/zinc/72/30/65/520723065.db2.gz MDPKNHDWZAHPDN-IIBYNOLFSA-N 0 0 434.514 2.579 50 0 IFAARN CCOC(=O)CN(C)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O ZINC000012212271 520738224 /nfs/dbraw/zinc/73/82/24/520738224.db2.gz CNZSYAYDUGBRJP-AREMUKBSSA-N 0 0 448.519 2.924 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)ccc1Cl ZINC000012773810 520784391 /nfs/dbraw/zinc/78/43/91/520784391.db2.gz CDFKPPIWWUKCFC-UHFFFAOYSA-N 0 0 449.916 2.849 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c1 ZINC000024176425 520791275 /nfs/dbraw/zinc/79/12/75/520791275.db2.gz BSSZSAHSYVDNPV-SFHVURJKSA-N 0 0 433.530 2.862 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(OC)cc2)s1 ZINC000012820517 520794760 /nfs/dbraw/zinc/79/47/60/520794760.db2.gz ULYXRGFJMJXXFT-CQSZACIVSA-N 0 0 426.560 2.871 50 0 IFAARN CCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCCC3)cn1C)O[C@@H](C)C2 ZINC000026887528 520795465 /nfs/dbraw/zinc/79/54/65/520795465.db2.gz BNGVXWHBXRYZKH-AWEZNQCLSA-N 0 0 433.530 2.784 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2cnc3ccccc3c2=O)c1 ZINC000012783439 520795943 /nfs/dbraw/zinc/79/59/43/520795943.db2.gz KIXDSTGQOGQYRF-UHFFFAOYSA-N 0 0 448.932 2.719 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3nnc(C(C)C)s3)c2c1 ZINC000012772901 520809548 /nfs/dbraw/zinc/80/95/48/520809548.db2.gz QWIHTAXNRFRTKG-UHFFFAOYSA-N 0 0 449.558 2.786 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Oc3ccc4c(c3)OCO4)c2c1 ZINC000016051030 520810097 /nfs/dbraw/zinc/81/00/97/520810097.db2.gz MGYFNJLHNWWPIA-UHFFFAOYSA-N 0 0 444.465 2.507 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCc1ccc(C)cc1)N2C(C)=O ZINC000015775943 520811930 /nfs/dbraw/zinc/81/19/30/520811930.db2.gz NSVVOXFQULCTKR-QFIPXVFZSA-N 0 0 443.569 2.620 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2c(F)cccc2F)c1 ZINC000020749274 520819022 /nfs/dbraw/zinc/81/90/22/520819022.db2.gz FZTJVMSZMUEYKA-UHFFFAOYSA-N 0 0 426.441 2.791 50 0 IFAARN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(C)cc1 ZINC000012413182 520888689 /nfs/dbraw/zinc/88/86/89/520888689.db2.gz ZBIVJWRTTCXTRW-INIZCTEOSA-N 0 0 434.539 2.881 50 0 IFAARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1 ZINC000012137104 520902938 /nfs/dbraw/zinc/90/29/38/520902938.db2.gz HNNOMUYTJULWFY-UHFFFAOYSA-N 0 0 426.542 2.600 50 0 IFAARN CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000023432843 520904071 /nfs/dbraw/zinc/90/40/71/520904071.db2.gz XWNJMTWSBWUPLB-UHFFFAOYSA-N 0 0 448.449 2.884 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)n1 ZINC000021488195 520910202 /nfs/dbraw/zinc/91/02/02/520910202.db2.gz VWNMYXKMHMCREW-MRXNPFEDSA-N 0 0 425.457 2.920 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)CSc2nnc(Cc3cccs3)n2C)n1 ZINC000017101588 520910308 /nfs/dbraw/zinc/91/03/08/520910308.db2.gz ABTRTVBGLMIOKO-UHFFFAOYSA-N 0 0 437.572 2.760 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)cn2C)n1 ZINC000012166991 520913119 /nfs/dbraw/zinc/91/31/19/520913119.db2.gz OSRUPDHSSKTAMI-UHFFFAOYSA-N 0 0 445.472 2.918 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CCn2nc(-c3ccc(CC)cc3)ccc2=O)CC1 ZINC000041254015 520925059 /nfs/dbraw/zinc/92/50/59/520925059.db2.gz QGKZUWTZINMQSC-UHFFFAOYSA-N 0 0 426.517 2.600 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CCn2nc(-c3ccc(C)c(C)c3)ccc2=O)CC1 ZINC000041255004 520925701 /nfs/dbraw/zinc/92/57/01/520925701.db2.gz DIVYZAAQTBHHPI-UHFFFAOYSA-N 0 0 426.517 2.654 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)C[S@@](=O)Cc2nc(-c3cccc(C)c3)oc2C)CC1 ZINC000020856252 520927008 /nfs/dbraw/zinc/92/70/08/520927008.db2.gz AVYCEUHHHXAWRG-WJOKGBTCSA-N 0 0 447.557 2.944 50 0 IFAARN CCOC(=O)N1CCC[C@H](C(=O)NCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000012809522 520941599 /nfs/dbraw/zinc/94/15/99/520941599.db2.gz FXRGJBXCLOWBAW-ZDUSSCGKSA-N 0 0 426.311 2.681 50 0 IFAARN CCOc1ccc(CCNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)cc1OCC ZINC000021927456 520954128 /nfs/dbraw/zinc/95/41/28/520954128.db2.gz BDVRZAOGXKLYMP-UHFFFAOYSA-N 0 0 444.553 2.840 50 0 IFAARN CCOC(=O)N1CCN([C@H](c2cccc(F)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697712 520959608 /nfs/dbraw/zinc/95/96/08/520959608.db2.gz LWSIKPPACCPOOL-OAQYLSRUSA-N 0 0 447.507 2.511 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@H](c1cccs1)c1ccccc1)C2=O ZINC000012909747 520964711 /nfs/dbraw/zinc/96/47/11/520964711.db2.gz TXRWTBCALTZKPW-JOXBDYEASA-N 0 0 426.542 2.959 50 0 IFAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)Nc3cccc(-c4ccno4)c3)cn2)CC1 ZINC000015767197 521033967 /nfs/dbraw/zinc/03/39/67/521033967.db2.gz RKKVDLIEZRRVRU-UHFFFAOYSA-N 0 0 429.502 2.597 50 0 IFAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)Nc3ccc(-c4ccno4)cc3)cn2)CC1 ZINC000015767193 521034018 /nfs/dbraw/zinc/03/40/18/521034018.db2.gz JNALNDNSXBTALL-UHFFFAOYSA-N 0 0 429.502 2.597 50 0 IFAARN CCOc1ccc(N2CCn3c2nnc(C(=O)NCCc2c[nH]c4ccccc24)c3=O)cc1 ZINC000012234189 521042275 /nfs/dbraw/zinc/04/22/75/521042275.db2.gz JFACAVFUXIYPJS-UHFFFAOYSA-N 0 0 444.495 2.643 50 0 IFAARN CC1CCN(c2ccc3nnc(CCC(=O)N4CCN(Cc5ccccc5)CC4)n3n2)CC1 ZINC000020530488 521043998 /nfs/dbraw/zinc/04/39/98/521043998.db2.gz NWMQWHVCZFZSMM-UHFFFAOYSA-N 0 0 447.587 2.638 50 0 IFAARN CCOc1ccc(NC(=O)CSc2nncs2)cc1S(=O)(=O)N1CCCCC1 ZINC000018975477 521070471 /nfs/dbraw/zinc/07/04/71/521070471.db2.gz GBPGNKJHENMHNG-UHFFFAOYSA-N 0 0 442.588 2.842 50 0 IFAARN CCOc1ccc(NC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)cc1 ZINC000035375548 521077639 /nfs/dbraw/zinc/07/76/39/521077639.db2.gz WBXRKZPLGCKNKS-UHFFFAOYSA-N 0 0 433.512 2.607 50 0 IFAARN CCOc1ccc(NC(=O)[C@H](CC)N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)cc1 ZINC000035403062 521108761 /nfs/dbraw/zinc/10/87/61/521108761.db2.gz TXNSXRVKYOVVEZ-FQEVSTJZSA-N 0 0 427.476 2.813 50 0 IFAARN CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1OC ZINC000022699445 521116523 /nfs/dbraw/zinc/11/65/23/521116523.db2.gz VKDPJKFOGBORPE-QGZVFWFLSA-N 0 0 434.514 2.804 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2C[C@@H]1C ZINC000020209128 521166509 /nfs/dbraw/zinc/16/65/09/521166509.db2.gz SHAJEMQIUUBMFX-SFHVURJKSA-N 0 0 427.570 2.881 50 0 IFAARN CCOC(=O)[C@@](NCc1ccccc1)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F ZINC000020609083 521176869 /nfs/dbraw/zinc/17/68/69/521176869.db2.gz ACWAYFMZDLIQJO-GOSISDBHSA-N 0 0 430.448 2.885 50 0 IFAARN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000012744984 521184006 /nfs/dbraw/zinc/18/40/06/521184006.db2.gz IPUVOODPGZNGSJ-JOCHJYFZSA-N 0 0 433.574 2.922 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc1 ZINC000014247375 521197795 /nfs/dbraw/zinc/19/77/95/521197795.db2.gz IGKIEIXUVCWXIL-UHFFFAOYSA-N 0 0 431.539 2.842 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)cc1 ZINC000021756868 521217226 /nfs/dbraw/zinc/21/72/26/521217226.db2.gz FLFNJTAUNVSFJD-UHFFFAOYSA-N 0 0 431.514 2.762 50 0 IFAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1OC ZINC000033271360 521241432 /nfs/dbraw/zinc/24/14/32/521241432.db2.gz NJRVUJFFGXGBML-HNNXBMFYSA-N 0 0 433.472 2.808 50 0 IFAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1OC ZINC000033271361 521270001 /nfs/dbraw/zinc/27/00/01/521270001.db2.gz NJRVUJFFGXGBML-OAHLLOKOSA-N 0 0 433.472 2.808 50 0 IFAARN CCCCc1ccc(N2CCCn3c2nc2c3c(=O)n(CCOCC)c(=O)n2C)cc1 ZINC000012532155 521274024 /nfs/dbraw/zinc/27/40/24/521274024.db2.gz ULJVZGGUDRQVTN-UHFFFAOYSA-N 0 0 425.533 2.818 50 0 IFAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)COC(=O)c1nn(CC)c(=O)c2ccccc21 ZINC000021266185 521321745 /nfs/dbraw/zinc/32/17/45/521321745.db2.gz GZHDFMGNTHGFCL-UHFFFAOYSA-N 0 0 441.459 2.770 50 0 IFAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012746510 521333357 /nfs/dbraw/zinc/33/33/57/521333357.db2.gz ANZPRBADCXVIRM-UHFFFAOYSA-N 0 0 430.526 2.905 50 0 IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCc4ccccc4F)CC3)sc2n1 ZINC000021166085 521346909 /nfs/dbraw/zinc/34/69/09/521346909.db2.gz YFOHELHSCVYSEF-UHFFFAOYSA-N 0 0 429.521 2.775 50 0 IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCc4ccccc4OC)CC3)sc2n1 ZINC000021165877 521346970 /nfs/dbraw/zinc/34/69/70/521346970.db2.gz LTDKGURDVSGFML-UHFFFAOYSA-N 0 0 441.557 2.645 50 0 IFAARN CCCCn1c(=O)c2c3c(sc2nc1N1CCN(S(=O)(=O)CC)CC1)CCCC3 ZINC000012321154 521358084 /nfs/dbraw/zinc/35/80/84/521358084.db2.gz GPEXHMJTSNLGIK-UHFFFAOYSA-N 0 0 438.619 2.609 50 0 IFAARN CCN(Cc1ccccc1)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O ZINC000011973611 521361599 /nfs/dbraw/zinc/36/15/99/521361599.db2.gz JDPZOYIDCSZLPQ-XMMPIXPASA-N 0 0 426.488 2.908 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)c1C ZINC000023469926 521363720 /nfs/dbraw/zinc/36/37/20/521363720.db2.gz GMIIURNEIUUMGP-INIZCTEOSA-N 0 0 443.500 2.725 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(CCc1ccncc1)C[C@H]1CCCO1 ZINC000020582507 521382220 /nfs/dbraw/zinc/38/22/20/521382220.db2.gz GPULEPPDEZSBCV-GOSISDBHSA-N 0 0 435.546 2.616 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(Cl)cc1C ZINC000021116606 521397181 /nfs/dbraw/zinc/39/71/81/521397181.db2.gz LARZSWAUYOQECT-UHFFFAOYSA-N 0 0 441.937 2.697 50 0 IFAARN CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)C3CC3)CC2)sc2c1CC[C@H](C)C2 ZINC000012747975 521409500 /nfs/dbraw/zinc/40/95/00/521409500.db2.gz FXFWLDRGSDCGFE-AWEZNQCLSA-N 0 0 433.574 2.542 50 0 IFAARN CCOC(=O)c1c(NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)sc2c1CCCC2 ZINC000009544496 521410619 /nfs/dbraw/zinc/41/06/19/521410619.db2.gz XRPKTINFFHXIST-LBPRGKRZSA-N 0 0 433.530 2.995 50 0 IFAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@H]1CCCO1)C(=O)C1CC1 ZINC000036031003 521431481 /nfs/dbraw/zinc/43/14/81/521431481.db2.gz YKZDUWZXPVBTHD-HXUWFJFHSA-N 0 0 431.558 2.795 50 0 IFAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)C(=O)c1ccco1 ZINC000036030296 521432684 /nfs/dbraw/zinc/43/26/84/521432684.db2.gz UTOYEYWCHSONQB-UHFFFAOYSA-N 0 0 431.514 2.759 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccc(F)c1)C2=O ZINC000021879129 521451864 /nfs/dbraw/zinc/45/18/64/521451864.db2.gz YMCGWMPGBXQFDG-QHCPKHFHSA-N 0 0 442.491 2.672 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(c1ccc(OC)cc1)C2=O ZINC000021878991 521451944 /nfs/dbraw/zinc/45/19/44/521451944.db2.gz MWMRJRKPNRIOIB-QHCPKHFHSA-N 0 0 440.500 2.546 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(c1ccc(C)cc1)C2=O ZINC000021781356 521452826 /nfs/dbraw/zinc/45/28/26/521452826.db2.gz WHEMZGMOVARJNL-QHCPKHFHSA-N 0 0 426.517 2.950 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(Cc1cccc(F)c1)C2=O ZINC000021879127 521455575 /nfs/dbraw/zinc/45/55/75/521455575.db2.gz YMCGWMPGBXQFDG-HSZRJFAPSA-N 0 0 442.491 2.672 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(Cc1cccc(C)c1)C2=O ZINC000021781447 521456668 /nfs/dbraw/zinc/45/66/68/521456668.db2.gz IEXBOBDVOYFDOI-XMMPIXPASA-N 0 0 440.544 2.945 50 0 IFAARN CCOc1ccccc1CN1CCc2c(C(=O)N3CCCC3)c(OC)cc(=O)n2CC1 ZINC000020911703 521486018 /nfs/dbraw/zinc/48/60/18/521486018.db2.gz PAPICTCRPWWYQA-UHFFFAOYSA-N 0 0 425.529 2.550 50 0 IFAARN CCN1C(=O)C[C@](CC(=O)N2CCC(COC)CC2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000014878853 521524963 /nfs/dbraw/zinc/52/49/63/521524963.db2.gz MEJQGOSIALTBGG-OAQYLSRUSA-N 0 0 440.462 2.997 50 0 IFAARN CCN1C(=O)c2cc(C(=O)NC3CCCCCC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877395 521536883 /nfs/dbraw/zinc/53/68/83/521536883.db2.gz QPPAMZZDFXHIOH-QHCPKHFHSA-N 0 0 429.565 2.629 50 0 IFAARN CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCc1ccc(C)cc1 ZINC000021919802 521538617 /nfs/dbraw/zinc/53/86/17/521538617.db2.gz VTQWGQYKNGMPTD-VWLOTQADSA-N 0 0 432.524 2.617 50 0 IFAARN CCN1C2=C(C(=O)N(CC(=O)NCC(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035967505 521543405 /nfs/dbraw/zinc/54/34/05/521543405.db2.gz CWZONWISAAOCIM-SFHVURJKSA-N 0 0 438.450 2.660 50 0 IFAARN CCOc1ccccc1NC(=O)[C@@H](C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 ZINC000012765432 521544780 /nfs/dbraw/zinc/54/47/80/521544780.db2.gz FTGKYMYGEHPLSY-CQSZACIVSA-N 0 0 443.529 2.855 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)NC1CCN(c2nc3ccccc3n(C)c2=O)CC1 ZINC000033169708 521555310 /nfs/dbraw/zinc/55/53/10/521555310.db2.gz VJQZHWGIFFOAPH-UHFFFAOYSA-N 0 0 449.511 2.901 50 0 IFAARN CCOC(=O)c1noc2nc(C)n([C@@H](CC)C(=O)Nc3ccccc3OCC)c(=O)c21 ZINC000033059525 521606759 /nfs/dbraw/zinc/60/67/59/521606759.db2.gz MSMFBBNUOTVLNT-AWEZNQCLSA-N 0 0 428.445 2.858 50 0 IFAARN CCOC(=O)c1oc2ccc(Br)cc2c1Cn1cnc2c(cnn2C)c1=O ZINC000024424953 521608058 /nfs/dbraw/zinc/60/80/58/521608058.db2.gz IDJKBQWXWSFXPD-UHFFFAOYSA-N 0 0 431.246 2.864 50 0 IFAARN CCC(CC)[C@H](CNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCOCC1 ZINC000022898725 521616935 /nfs/dbraw/zinc/61/69/35/521616935.db2.gz GBUUHRBHCGVYAV-LRSLUSHPSA-N 0 0 447.620 2.606 50 0 IFAARN CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CN1CCOCC1)COC(C)(C)C3 ZINC000020622796 521619957 /nfs/dbraw/zinc/61/99/57/521619957.db2.gz HLVWMHQYLGLLRC-UHFFFAOYSA-N 0 0 433.530 2.595 50 0 IFAARN CCCn1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)nc2ccccc21 ZINC000021355594 521632782 /nfs/dbraw/zinc/63/27/82/521632782.db2.gz XOUOFRSIWWYIAG-HSZRJFAPSA-N 0 0 435.484 2.861 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2)[C@@](C)(C(=O)NC2CCCCCCC2)C1 ZINC000020928317 521660075 /nfs/dbraw/zinc/66/00/75/521660075.db2.gz AIMKHWMEQWTMEN-HSZRJFAPSA-N 0 0 449.617 2.981 50 0 IFAARN CCOCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2CC(C)C)CCCC4)CC1 ZINC000020715855 521662646 /nfs/dbraw/zinc/66/26/46/521662646.db2.gz VLFNGQKVJKJERL-UHFFFAOYSA-N 0 0 432.590 2.678 50 0 IFAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cc(Cl)ccc1C ZINC000021887647 521663609 /nfs/dbraw/zinc/66/36/09/521663609.db2.gz BJJSASKQSUSLJD-UHFFFAOYSA-N 0 0 426.922 2.645 50 0 IFAARN CCCn1nc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)ccc1=O ZINC000022526704 521664979 /nfs/dbraw/zinc/66/49/79/521664979.db2.gz RFXXQJILVQQCMW-UHFFFAOYSA-N 0 0 437.500 2.932 50 0 IFAARN CCN1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)CC1 ZINC000022468832 521666994 /nfs/dbraw/zinc/66/69/94/521666994.db2.gz APSMWOGOQATTIZ-QGZVFWFLSA-N 0 0 437.569 2.734 50 0 IFAARN CCS(=O)(=O)c1ncc(CN(CCO)Cc2cccs2)n1CCc1ccccc1 ZINC000011935892 521694577 /nfs/dbraw/zinc/69/45/77/521694577.db2.gz YZNIGTMQWXWVPX-UHFFFAOYSA-N 0 0 433.599 2.975 50 0 IFAARN CCN1CCN(c2nnc(-n3cccc3C(=O)Nc3ccc(OC)cc3OC)s2)CC1 ZINC000021535330 521701415 /nfs/dbraw/zinc/70/14/15/521701415.db2.gz QTUWLIBJSFDZJM-UHFFFAOYSA-N 0 0 442.545 2.740 50 0 IFAARN CCN1CCN(c2nnc(-n3cccc3C(=O)Nc3ccc(OC)c(OC)c3)s2)CC1 ZINC000021535306 521701522 /nfs/dbraw/zinc/70/15/22/521701522.db2.gz JNZIUNTZSUWEHB-UHFFFAOYSA-N 0 0 442.545 2.740 50 0 IFAARN CCCN1C(=O)c2c(C(=O)N3CCc4ccccc43)ncn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000035504764 521701554 /nfs/dbraw/zinc/70/15/54/521701554.db2.gz YRQNPAPMVCSVAY-RUZDIDTESA-N 0 0 449.555 2.769 50 0 IFAARN C=C1C(N2CCC(C(=O)NCCCOCC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000015733036 521710316 /nfs/dbraw/zinc/71/03/16/521710316.db2.gz OVGXZCJGKUTGKA-UHFFFAOYSA-N 0 0 447.601 2.977 50 0 IFAARN CCOCCCNC(=O)[C@@H](C)n1nc(C)c2nn(-c3ccccc3)c(-n3cccc3)c2c1=O ZINC000033267361 521714632 /nfs/dbraw/zinc/71/46/32/521714632.db2.gz BYNVSTARANMPPH-GOSISDBHSA-N 0 0 448.527 2.785 50 0 IFAARN CCNC(=O)N(CC)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@H]1CCCO1 ZINC000036031841 521739357 /nfs/dbraw/zinc/73/93/57/521739357.db2.gz QDNRNKCYBQDPKH-LJQANCHMSA-N 0 0 434.562 2.587 50 0 IFAARN CCNC(=O)NC(=O)[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1 ZINC000012512870 521741832 /nfs/dbraw/zinc/74/18/32/521741832.db2.gz HWOBHGZUKXWYMO-SFHVURJKSA-N 0 0 448.570 2.545 50 0 IFAARN COC(=O)c1c(C(=O)N2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)nc(C)nc1C(C)C ZINC000035703104 521748809 /nfs/dbraw/zinc/74/88/09/521748809.db2.gz MDJZXPSQQPKQCY-MRXNPFEDSA-N 0 0 438.528 2.990 50 0 IFAARN CCc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000020529511 521748982 /nfs/dbraw/zinc/74/89/82/521748982.db2.gz WGPCCPKRQCVJMU-HNNXBMFYSA-N 0 0 429.542 2.854 50 0 IFAARN CC[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020866650 521820579 /nfs/dbraw/zinc/82/05/79/521820579.db2.gz GNQVJPCGRUTYPX-KRWDZBQOSA-N 0 0 437.475 2.990 50 0 IFAARN CNC(=O)c1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000022616516 521832886 /nfs/dbraw/zinc/83/28/86/521832886.db2.gz VJRQJYCYWZGBHC-AWNIVKPZSA-N 0 0 439.493 2.770 50 0 IFAARN CCc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000020529404 521861955 /nfs/dbraw/zinc/86/19/55/521861955.db2.gz IFICXBNXYLIWRD-HNNXBMFYSA-N 0 0 429.542 2.854 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN(c2ccccc2F)CC1 ZINC000012564048 521864088 /nfs/dbraw/zinc/86/40/88/521864088.db2.gz AUIRYQCUHCHVKI-SFHVURJKSA-N 0 0 426.536 2.996 50 0 IFAARN COc1cc(-c2noc(CNS(=O)(=O)c3ccc(Cl)cc3)n2)cc(OC)c1OC ZINC000035845494 521917879 /nfs/dbraw/zinc/91/78/79/521917879.db2.gz FLSPEKKDGLSNQM-UHFFFAOYSA-N 0 0 439.877 2.894 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(c1ccc(F)cc1C)C2=O ZINC000021878312 521922734 /nfs/dbraw/zinc/92/27/34/521922734.db2.gz ZTFOODGTVYFCIO-HSZRJFAPSA-N 0 0 442.491 2.985 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)CCOc2ccc(C)cc2)c1 ZINC000012883308 521979820 /nfs/dbraw/zinc/97/98/20/521979820.db2.gz WJNNQKXIMLZYNG-UHFFFAOYSA-N 0 0 429.425 2.519 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)s3)o2)cc1 ZINC000012444114 521981218 /nfs/dbraw/zinc/98/12/18/521981218.db2.gz AGXIORSAEGWISX-UHFFFAOYSA-N 0 0 426.907 2.878 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc(Cl)ccc2O)c1 ZINC000012311748 521983045 /nfs/dbraw/zinc/98/30/45/521983045.db2.gz JWWJYKHVLCOLJS-UHFFFAOYSA-N 0 0 447.296 2.745 50 0 IFAARN CC[C@@H](C)CN1C(=O)CNC12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027248 521989247 /nfs/dbraw/zinc/98/92/47/521989247.db2.gz RDYDPLMXGNHDEO-CYBMUJFWSA-N 0 0 434.389 2.952 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 ZINC000022019870 521997666 /nfs/dbraw/zinc/99/76/66/521997666.db2.gz WZCORBCXIRWRNU-UHFFFAOYSA-N 0 0 448.522 2.756 50 0 IFAARN COCCn1c(CN(C(C)=O)C(C)C)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000036039919 522067619 /nfs/dbraw/zinc/06/76/19/522067619.db2.gz BMBXHIGLWGIEFX-UHFFFAOYSA-N 0 0 427.954 2.914 50 0 IFAARN COCCn1c([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)s3)C2)nc2cccnc21 ZINC000065285263 522074455 /nfs/dbraw/zinc/07/44/55/522074455.db2.gz OACNYDKLWGDBKE-GFCCVEGCSA-N 0 0 426.951 2.971 50 0 IFAARN COc1cc(C(=O)N2CCCc3cccc(OCCNC(C)=O)c32)cc(OC)c1OC ZINC000012364282 522080159 /nfs/dbraw/zinc/08/01/59/522080159.db2.gz ASXFZLSENPKCJI-UHFFFAOYSA-N 0 0 428.485 2.820 50 0 biogenic,in-vitro IFAARN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 ZINC000022907569 522086242 /nfs/dbraw/zinc/08/62/42/522086242.db2.gz IBZITHODTCDIMZ-OAQYLSRUSA-N 0 0 447.491 2.921 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(C(C)(C)C)cs3)CC2)cc1 ZINC000022630386 522092988 /nfs/dbraw/zinc/09/29/88/522092988.db2.gz LJHUTBBUEFPQRZ-UHFFFAOYSA-N 0 0 430.574 2.984 50 0 IFAARN COC(=O)c1ccc(OC[C@H](O)CSc2nnnn2-c2c(C)cccc2C)c(OC)c1 ZINC000012849051 522144044 /nfs/dbraw/zinc/14/40/44/522144044.db2.gz TVKGGSVKBCLFFX-INIZCTEOSA-N 0 0 444.513 2.606 50 0 IFAARN COCCn1nc(C(=O)N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)ccc1=O ZINC000021708816 522146426 /nfs/dbraw/zinc/14/64/26/522146426.db2.gz QOLSLWMEOKLGMF-QFIPXVFZSA-N 0 0 437.496 2.621 50 0 IFAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000012696412 522176767 /nfs/dbraw/zinc/17/67/67/522176767.db2.gz RJEFWYDMCBHJSE-DJKDLEHESA-N 0 0 432.517 2.774 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(S[C@H](C)c1nc(C)no1)n(C[C@H]1CCCO1)c2=O ZINC000012821171 522187093 /nfs/dbraw/zinc/18/70/93/522187093.db2.gz STKRGEKADTWOBE-BXUZGUMPSA-N 0 0 430.486 2.907 50 0 IFAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000012895216 522214343 /nfs/dbraw/zinc/21/43/43/522214343.db2.gz YYDXIAXAHWWWGC-UHFFFAOYSA-N 0 0 433.530 2.857 50 0 IFAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1 ZINC000021002843 522288613 /nfs/dbraw/zinc/28/86/13/522288613.db2.gz FJNRAUUFXDGEAL-UHFFFAOYSA-N 0 0 434.558 2.881 50 0 IFAARN COc1cc(CCNC(=O)Cn2nc(-c3cccs3)oc2=O)ccc1OC(F)F ZINC000022834721 522330651 /nfs/dbraw/zinc/33/06/51/522330651.db2.gz KEJDXUURKMIMGH-UHFFFAOYSA-N 0 0 425.413 2.534 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1OC)C(=O)OC ZINC000020761854 522375124 /nfs/dbraw/zinc/37/51/24/522375124.db2.gz IMHMHQBFJNVXRB-XVGQJIODSA-N 0 0 430.505 2.672 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(CCCOC(C)C)[C@@](C)(C(=O)NC1CCCCCC1)C2 ZINC000021873245 522389996 /nfs/dbraw/zinc/38/99/96/522389996.db2.gz LUCQOCXKORKOPV-HSZRJFAPSA-N 0 0 448.564 2.538 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(CCc1cccs1)[C@@](C)(C(=O)NC1CCCCC1)C2 ZINC000021873096 522391725 /nfs/dbraw/zinc/39/17/25/522391725.db2.gz UELAACCUDDPJBR-JOCHJYFZSA-N 0 0 444.557 2.637 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccco1)[C@@](C)(C(=O)NC1CCCCCC1)C2 ZINC000021873166 522393584 /nfs/dbraw/zinc/39/35/84/522393584.db2.gz MAHRWWVNODMPEL-JOCHJYFZSA-N 0 0 428.489 2.516 50 0 IFAARN COc1cc(CN2CCn3nc(C(=O)NCc4ccc(F)cc4)cc3C2=O)cc(OC)c1 ZINC000034811380 522401096 /nfs/dbraw/zinc/40/10/96/522401096.db2.gz ZKICOJATLVYNJJ-UHFFFAOYSA-N 0 0 438.459 2.625 50 0 IFAARN CC[C@@H](C)[C@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(C)C1=O ZINC000036029185 522402303 /nfs/dbraw/zinc/40/23/03/522402303.db2.gz CAXXSWXVARKAGP-MLGOLLRUSA-N 0 0 434.389 2.951 50 0 IFAARN COc1cc(CNC(=O)C2(C)CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc(OC)c1 ZINC000035530982 522407426 /nfs/dbraw/zinc/40/74/26/522407426.db2.gz DXPGLYGJTZCCTF-UHFFFAOYSA-N 0 0 440.496 2.991 50 0 IFAARN CN(CC(=O)NC1CC1)C(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012924411 522461715 /nfs/dbraw/zinc/46/17/15/522461715.db2.gz FJUZMUYVJSXPPK-UHFFFAOYSA-N 0 0 426.313 2.618 50 0 IFAARN COc1cc(Cl)c(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000035431003 522528393 /nfs/dbraw/zinc/52/83/93/522528393.db2.gz IXTLQAVOAPLUNJ-OAHLLOKOSA-N 0 0 438.889 2.676 50 0 IFAARN COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)N1CCC(C(N)=O)CC1 ZINC000002621009 522557820 /nfs/dbraw/zinc/55/78/20/522557820.db2.gz DXPRTUHQLVXDDG-UHFFFAOYSA-N 0 0 445.903 2.704 50 0 IFAARN COc1cc(NC(=O)Cn2cnc3c4cc(OC)c(OC)cc4[nH]c3c2=O)cc(OC)c1 ZINC000035423685 522676965 /nfs/dbraw/zinc/67/69/65/522676965.db2.gz IGNUXJSLVDWWEC-UHFFFAOYSA-N 0 0 438.440 2.551 50 0 IFAARN CCc1nn(CCCC(=O)NCc2cccc(OC)c2OC)c(=O)c2cc3occc3n21 ZINC000020863281 522704319 /nfs/dbraw/zinc/70/43/19/522704319.db2.gz NWAAHLJZBDTLBC-UHFFFAOYSA-N 0 0 438.484 2.918 50 0 IFAARN CCc1nn2c(nc(COC(=O)CCNC(=O)c3ccc(C(C)(C)C)cc3)cc2=O)s1 ZINC000022037885 522708249 /nfs/dbraw/zinc/70/82/49/522708249.db2.gz BVJFLLMZLWGSFC-UHFFFAOYSA-N 0 0 442.541 2.874 50 0 IFAARN COCC(=O)N(C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc(OC)ccc1OC ZINC000035948631 522721042 /nfs/dbraw/zinc/72/10/42/522721042.db2.gz MPVJRGKFQNGTGK-KRWDZBQOSA-N 0 0 431.514 2.548 50 0 IFAARN CN(CCCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)c1ccccc1 ZINC000021027082 522762573 /nfs/dbraw/zinc/76/25/73/522762573.db2.gz SWLDMGFYXSBDNF-QGZVFWFLSA-N 0 0 442.589 2.524 50 0 IFAARN CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O ZINC000008969300 534663684 /nfs/dbraw/zinc/66/36/84/534663684.db2.gz LRHWXLHDLZFPIW-NLFFAJNJSA-N 0 0 432.524 2.801 50 0 IFAARN COc1cc(OC)c(N2C[C@@H](C(=O)N3CC(=O)Nc4ccccc43)CC2=O)cc1Cl ZINC000022064417 522796036 /nfs/dbraw/zinc/79/60/36/522796036.db2.gz RSGZJBZEBSLHGG-LBPRGKRZSA-N 0 0 429.860 2.695 50 0 IFAARN COc1cc(OC)c(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1Cl ZINC000012884123 522812798 /nfs/dbraw/zinc/81/27/98/522812798.db2.gz UCGHFUMXNGRWGZ-NRFANRHFSA-N 0 0 429.860 2.905 50 0 IFAARN COc1cc(OC)cc(C(=O)NCCn2ncc3c2ncnc3NCCc2ccccc2)c1 ZINC000035590579 522850456 /nfs/dbraw/zinc/85/04/56/522850456.db2.gz PXQIUGAGEIUWEX-UHFFFAOYSA-N 0 0 446.511 2.928 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2cc(C)ccc2C)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020848920 522890784 /nfs/dbraw/zinc/89/07/84/522890784.db2.gz STXORQBRGGBPNE-HXUWFJFHSA-N 0 0 428.510 2.867 50 0 IFAARN COC(=O)C1CCN(C(=O)C[C@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)CC1 ZINC000012100218 522909312 /nfs/dbraw/zinc/90/93/12/522909312.db2.gz IYJLIDQVHOLRKW-SANMLTNESA-N 0 0 448.519 2.782 50 0 IFAARN COc1cc2[nH]c3c(ncn(CC(=O)NCCc4c[nH]c5ccccc45)c3=O)c2cc1OC ZINC000035423719 522987163 /nfs/dbraw/zinc/98/71/63/522987163.db2.gz RTJQSIUUZDGBGL-UHFFFAOYSA-N 0 0 445.479 2.735 50 0 IFAARN COc1cc2[nH]c3c(ncn(CC(=O)NCc4cccc(Cl)c4)c3=O)c2cc1OC ZINC000035423676 522987187 /nfs/dbraw/zinc/98/71/87/522987187.db2.gz RCXLGBLBQIWXDX-UHFFFAOYSA-N 0 0 426.860 2.865 50 0 IFAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCCN3CCOCC3)nn1-c1ccccc1)C2 ZINC000020720270 523019446 /nfs/dbraw/zinc/01/94/46/523019446.db2.gz CYPVGGSEERWEPH-UHFFFAOYSA-N 0 0 448.523 2.523 50 0 IFAARN COc1cc2c(cc1OC)CN(S(=O)(=O)c1cc3oc(=O)n(C)c3cc1Cl)CC2 ZINC000012428006 523030668 /nfs/dbraw/zinc/03/06/68/523030668.db2.gz LVUBYLVKRWEZCF-UHFFFAOYSA-N 0 0 438.889 2.549 50 0 IFAARN COc1cc2ncn(CC(=O)Nc3ccc(Br)cc3F)c(=O)c2cc1OC ZINC000020746011 523069319 /nfs/dbraw/zinc/06/93/19/523069319.db2.gz DZFZLVPMMILCPT-UHFFFAOYSA-N 0 0 436.237 2.954 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@H]4c2ccccc2F)n(C)c(=O)n(C)c3=O)cc1 ZINC000012427972 523078851 /nfs/dbraw/zinc/07/88/51/523078851.db2.gz BNBVEZIYPAEGRX-QFIPXVFZSA-N 0 0 435.455 2.973 50 0 IFAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000012807863 523085182 /nfs/dbraw/zinc/08/51/82/523085182.db2.gz ZDYKLYCDPPRWLE-OAHLLOKOSA-N 0 0 436.555 2.835 50 0 IFAARN CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCc3cccc(F)c3)cc2)c2cccnc21 ZINC000021153153 523101311 /nfs/dbraw/zinc/10/13/11/523101311.db2.gz JSOUHXVEPBKFDP-UHFFFAOYSA-N 0 0 432.455 2.696 50 0 IFAARN CCn1c(C(=O)NCc2ccc3c(c2)OCO3)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561240 523118244 /nfs/dbraw/zinc/11/82/44/523118244.db2.gz STVQKOJCTNSJHJ-UHFFFAOYSA-N 0 0 429.498 2.570 50 0 IFAARN COc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(OC)c(F)c3)nn2)cc1 ZINC000016838942 523136988 /nfs/dbraw/zinc/13/69/88/523136988.db2.gz AAIBXQRHLIVWBJ-UHFFFAOYSA-N 0 0 433.461 2.657 50 0 IFAARN CCn1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1C ZINC000012850078 523139175 /nfs/dbraw/zinc/13/91/75/523139175.db2.gz LUHULOXRKHYCRM-MRXNPFEDSA-N 0 0 435.546 2.996 50 0 IFAARN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1cn(C[C@H]2COc3ccccc3O2)nn1 ZINC000012305519 523160309 /nfs/dbraw/zinc/16/03/09/523160309.db2.gz JUVHHPDCRVLVKG-SFHVURJKSA-N 0 0 430.468 2.780 50 0 IFAARN CN(Cc1cc(-c2ccccc2)no1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 ZINC000015068817 523160830 /nfs/dbraw/zinc/16/08/30/523160830.db2.gz QGNKQZIVOVETQK-SFHVURJKSA-N 0 0 430.530 2.753 50 0 IFAARN COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3O)CC2)cc1 ZINC000012606321 523176037 /nfs/dbraw/zinc/17/60/37/523176037.db2.gz IOCXAEQKWDBIQR-UHFFFAOYSA-N 0 0 425.514 2.671 50 0 IFAARN COC(=O)CNC(=O)Nc1cc(C(=O)NCc2ccccc2OC)ccc1N1CCCC1 ZINC000021050162 523195246 /nfs/dbraw/zinc/19/52/46/523195246.db2.gz WSLVJEKZUNUOFU-UHFFFAOYSA-N 0 0 440.500 2.520 50 0 IFAARN CCn1c(SCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)nnc1-c1ccncc1 ZINC000012919111 523218131 /nfs/dbraw/zinc/21/81/31/523218131.db2.gz HCVRSWFBTXFLAK-UHFFFAOYSA-N 0 0 440.529 2.558 50 0 IFAARN COc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)N4CCOCC4)n32)cc1 ZINC000021727133 523231926 /nfs/dbraw/zinc/23/19/26/523231926.db2.gz VDZFBKQGASMSKO-UHFFFAOYSA-N 0 0 435.509 2.904 50 0 IFAARN COC(=O)CSc1nc2c(cc(OC)c(OC)c2OC)c(=O)n1-c1cccc(F)c1 ZINC000035924848 523248757 /nfs/dbraw/zinc/24/87/57/523248757.db2.gz WEGVSHOCMUWAHU-UHFFFAOYSA-N 0 0 434.445 2.816 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)N(CC(F)(F)F)[C@H](C)C3CC3)n2N)cc1 ZINC000021283155 523257111 /nfs/dbraw/zinc/25/71/11/523257111.db2.gz PHXIGASNHDQQBL-LLVKDONJSA-N 0 0 429.468 2.949 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)n2N)c(OC)c1 ZINC000021576504 523260285 /nfs/dbraw/zinc/26/02/85/523260285.db2.gz SLQLIXZRYSRXBK-SFHVURJKSA-N 0 0 439.541 2.962 50 0 IFAARN COc1ccc(-c2nnc([C@@H](C)Sc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)o2)cc1 ZINC000021625784 523268232 /nfs/dbraw/zinc/26/82/32/523268232.db2.gz KXXXCDDBVJBVGT-NEPJUHHUSA-N 0 0 436.515 2.959 50 0 IFAARN COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccc(OC)c(OC)c1 ZINC000022390288 523274034 /nfs/dbraw/zinc/27/40/34/523274034.db2.gz KXTLGDOIALVTTI-HZPDHXFCSA-N 0 0 430.432 2.689 50 0 IFAARN COc1ccc(-c2noc(CCC(=O)O[C@@H](C)C(=O)N3CCC(C)CC3)n2)cc1OC ZINC000022013123 523281274 /nfs/dbraw/zinc/28/12/74/523281274.db2.gz IFXKDUAKYDUKBW-HNNXBMFYSA-N 0 0 431.489 2.877 50 0 IFAARN CCn1c2ccccc2n(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1=O ZINC000022358682 523281778 /nfs/dbraw/zinc/28/17/78/523281778.db2.gz FWSQHBUHBRKTTB-UHFFFAOYSA-N 0 0 447.461 2.976 50 0 IFAARN COc1ccc(-c2noc(CN3CCC(C(=O)Nc4cc(C)on4)CC3)n2)cc1OC ZINC000021880540 523288027 /nfs/dbraw/zinc/28/80/27/523288027.db2.gz FFYIGSVKFFRKOT-UHFFFAOYSA-N 0 0 427.461 2.901 50 0 IFAARN COCCCNC(=O)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000022584444 523313995 /nfs/dbraw/zinc/31/39/95/523313995.db2.gz KYFLOLCARLUOMP-UHFFFAOYSA-N 0 0 434.540 2.814 50 0 IFAARN COc1ccc(-n2c3ncccc3c(=O)n(CC(=O)Nc3cccc(C)c3C)c2=O)cc1 ZINC000021722997 523324213 /nfs/dbraw/zinc/32/42/13/523324213.db2.gz OWGMDLGDRRPWPA-UHFFFAOYSA-N 0 0 430.464 2.812 50 0 IFAARN CCn1cc(C(=O)N2CCC(n3nccc3NC(=O)[C@H](OC)c3ccccc3)CC2)cn1 ZINC000012198070 523327397 /nfs/dbraw/zinc/32/73/97/523327397.db2.gz ILVDQHXJYQFBAF-OAQYLSRUSA-N 0 0 436.516 2.903 50 0 IFAARN COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(Cl)cc1 ZINC000036056910 523332433 /nfs/dbraw/zinc/33/24/33/523332433.db2.gz ZICVKOCZJFFBBI-QTPGKHNVSA-N 0 0 435.908 2.561 50 0 IFAARN COC(=O)C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000012877347 523332523 /nfs/dbraw/zinc/33/25/23/523332523.db2.gz YJYDRGXSKOXSBC-NRFANRHFSA-N 0 0 440.521 2.881 50 0 IFAARN COC(=O)C[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1 ZINC000012773913 523338802 /nfs/dbraw/zinc/33/88/02/523338802.db2.gz MHEQTSGGYJIUOW-KRWDZBQOSA-N 0 0 448.317 2.715 50 0 IFAARN COc1ccc(-n2ncc3c2nc(C2CC2)nc3N2CCN(C(=O)NC(C)C)CC2)cc1 ZINC000035992367 523352342 /nfs/dbraw/zinc/35/23/42/523352342.db2.gz SVBTVQQQMSBDBY-UHFFFAOYSA-N 0 0 435.532 2.942 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036060096 523362029 /nfs/dbraw/zinc/36/20/29/523362029.db2.gz MFULKJMHCOVFII-RTWAWAEBSA-N 0 0 426.513 2.712 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036060060 523362117 /nfs/dbraw/zinc/36/21/17/523362117.db2.gz VUDOGDPFYJUUCU-RTWAWAEBSA-N 0 0 444.503 2.851 50 0 IFAARN COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CSc3nc(C)cs3)nc(=O)c12 ZINC000012784872 523363344 /nfs/dbraw/zinc/36/33/44/523363344.db2.gz PZTNYJUDPAYBOP-UHFFFAOYSA-N 0 0 425.513 2.544 50 0 IFAARN CN(Cc1ccccc1N1CCOCC1)C(=O)C[C@@H](NC(N)=O)c1ccccc1Cl ZINC000012728572 523375115 /nfs/dbraw/zinc/37/51/15/523375115.db2.gz XNQRLPSSNGMGIH-LJQANCHMSA-N 0 0 430.936 2.935 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccccc3C)c(C)cc2NC1=O ZINC000035453085 523417208 /nfs/dbraw/zinc/41/72/08/523417208.db2.gz VJAFAZONLMAHOO-QGZVFWFLSA-N 0 0 431.514 2.672 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3cccc(C)c3C)c(C)cc2NC1=O ZINC000035453049 523417314 /nfs/dbraw/zinc/41/73/14/523417314.db2.gz IDVPGKHVPAWKNX-GOSISDBHSA-N 0 0 445.541 2.981 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccc(C)cc1)c(=O)n2CC(=O)Nc1ccc(C)c(C)c1 ZINC000021713804 523487051 /nfs/dbraw/zinc/48/70/51/523487051.db2.gz FUKHUUNSRUNCGG-UHFFFAOYSA-N 0 0 445.523 2.992 50 0 IFAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCCOC(C)C)C3)ccc21 ZINC000021938042 523497061 /nfs/dbraw/zinc/49/70/61/523497061.db2.gz WOEKIQLZOTVXNL-LJQANCHMSA-N 0 0 435.590 2.993 50 0 IFAARN COc1ccc(Br)cc1CNC(=O)c1cnc2sc3c(n2c1=O)CCC3 ZINC000035430367 523500798 /nfs/dbraw/zinc/50/07/98/523500798.db2.gz VTUCXJHFIXMKCI-UHFFFAOYSA-N 0 0 434.315 2.946 50 0 IFAARN COc1ccc(C(=O)COC(=O)c2ccccc2S(C)(=O)=O)cc1Br ZINC000024162903 523589132 /nfs/dbraw/zinc/58/91/32/523589132.db2.gz FMMCCPIBPPFCAH-UHFFFAOYSA-N 0 0 427.272 2.901 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)NC3CCCCCC3)c(C)cc2NC1=O ZINC000035453034 523602333 /nfs/dbraw/zinc/60/23/33/523602333.db2.gz DYMBRKXEFXUHQY-KRWDZBQOSA-N 0 0 437.562 2.564 50 0 IFAARN CCn1nc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c2ccccc2c1=O ZINC000023909045 523609314 /nfs/dbraw/zinc/60/93/14/523609314.db2.gz GZXYOQFAGSWALT-UHFFFAOYSA-N 0 0 433.537 2.984 50 0 IFAARN COC(=O)[C@@H](NC(=O)[C@H]1Cc2nc(NC(=O)C3CCC3)sc2C(=O)C1)c1ccccc1 ZINC000012097694 523616407 /nfs/dbraw/zinc/61/64/07/523616407.db2.gz NWEVJJWLNXIZMB-YOEHRIQHSA-N 0 0 441.509 2.657 50 0 IFAARN CCn1nc(C)c(CNC(=O)CC[C@@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)c1C ZINC000012218562 523645026 /nfs/dbraw/zinc/64/50/26/523645026.db2.gz MRPXCAFEPHCLLX-QHCPKHFHSA-N 0 0 430.524 2.955 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000012599109 523649153 /nfs/dbraw/zinc/64/91/53/523649153.db2.gz TXGIJDYKSHWXPH-QFIPXVFZSA-N 0 0 449.532 2.564 50 0 IFAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(OC)c1 ZINC000012821221 523649765 /nfs/dbraw/zinc/64/97/65/523649765.db2.gz IKRKZYISHAUBKQ-UHFFFAOYSA-N 0 0 444.553 2.729 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1OC)C(C)=O ZINC000035947684 523651098 /nfs/dbraw/zinc/65/10/98/523651098.db2.gz LRUQBSDUFXYCDT-JOCHJYFZSA-N 0 0 439.512 2.876 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1)C(=O)C1CC1 ZINC000035948146 523651163 /nfs/dbraw/zinc/65/11/63/523651163.db2.gz JOJGYJIENCTWFV-HXUWFJFHSA-N 0 0 425.485 2.851 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1)C(C)=O ZINC000035961939 523652780 /nfs/dbraw/zinc/65/27/80/523652780.db2.gz CENSJXCOAHJQAH-QHCPKHFHSA-N 0 0 439.512 2.876 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1)C(=O)COC ZINC000035961630 523653353 /nfs/dbraw/zinc/65/33/53/523653353.db2.gz FXMAFBCRHWNOTM-NRFANRHFSA-N 0 0 427.476 2.625 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)Nc1cccc(C)c1 ZINC000035373932 523670223 /nfs/dbraw/zinc/67/02/23/523670223.db2.gz ISYQEAYAQQASIH-UHFFFAOYSA-N 0 0 445.523 2.878 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccccc1 ZINC000035374162 523670336 /nfs/dbraw/zinc/67/03/36/523670336.db2.gz MFFLOXKNIQHTAL-UHFFFAOYSA-N 0 0 435.459 2.514 50 0 IFAARN CN1C(=O)N(CC(=O)NCc2ccc(OCC(F)(F)F)cc2)C(=O)C12CCCCC2 ZINC000022418130 523715383 /nfs/dbraw/zinc/71/53/83/523715383.db2.gz FKDSNVRPOHYRJF-UHFFFAOYSA-N 0 0 427.423 2.841 50 0 IFAARN CN1C(=O)[C@H]2CN(C(=O)c3cccc4ccccc43)CCN2C(=O)[C@@H]1Cc1ccccc1 ZINC000014740708 523725846 /nfs/dbraw/zinc/72/58/46/523725846.db2.gz XPKLCOWIBOBBSE-XZOQPEGZSA-N 0 0 427.504 2.576 50 0 IFAARN CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCc1ccccc1Cl ZINC000021782235 523733505 /nfs/dbraw/zinc/73/35/05/523733505.db2.gz KRAWIQCJVXCKLB-QHCPKHFHSA-N 0 0 438.915 2.572 50 0 IFAARN CN1C(=O)c2ccc(C(=O)OCc3cc4c(cc3Br)OCCO4)cc2C1=O ZINC000021372189 523733808 /nfs/dbraw/zinc/73/38/08/523733808.db2.gz XSJNMKLDLOBUOB-UHFFFAOYSA-N 0 0 432.226 2.803 50 0 IFAARN COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)CCn1ccc(C)n1 ZINC000012470687 523742377 /nfs/dbraw/zinc/74/23/77/523742377.db2.gz IVNHLZCQIHZVHW-UHFFFAOYSA-N 0 0 425.533 2.880 50 0 IFAARN CC[C@H](C(=O)N1CCN(c2ccccc2F)CC1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020866654 523763141 /nfs/dbraw/zinc/76/31/41/523763141.db2.gz GNQVJPCGRUTYPX-QGZVFWFLSA-N 0 0 437.475 2.990 50 0 IFAARN COc1ccc(C(=O)Oc2ccc([C@@H]3SC(NC(C)=O)=NN3C(C)=O)cc2)cc1OC ZINC000020895739 523773403 /nfs/dbraw/zinc/77/34/03/523773403.db2.gz NYRFCXRQEIXBQN-IBGZPJMESA-N 0 0 443.481 2.924 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(F)c(F)c(F)c(F)c1F ZINC000014678859 523776721 /nfs/dbraw/zinc/77/67/21/523776721.db2.gz JEUSICGIJRWNQY-UHFFFAOYSA-N 0 0 441.356 2.836 50 0 IFAARN COc1ccc(C(O)=C2[C@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000036056656 523778202 /nfs/dbraw/zinc/77/82/02/523778202.db2.gz PRTCGQRTMLEBJQ-TXPKVOOTSA-N 0 0 438.358 2.528 50 0 IFAARN COc1ccc(C)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000015936367 523822219 /nfs/dbraw/zinc/82/22/19/523822219.db2.gz ZMUHOLHSVMMYMU-HNNXBMFYSA-N 0 0 445.541 2.608 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000035375613 523829891 /nfs/dbraw/zinc/82/98/91/523829891.db2.gz UNYVNHHUUWOYEL-UHFFFAOYSA-N 0 0 433.512 2.526 50 0 IFAARN CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)c(OC)cc1Cl)CC2 ZINC000020601452 523833557 /nfs/dbraw/zinc/83/35/57/523833557.db2.gz PEDQRNGPPQAVHX-AWEZNQCLSA-N 0 0 435.956 2.669 50 0 IFAARN COCCN1CCS(=O)(=O)c2c(Cl)c(F)nc(Oc3cccc(C(=O)OC)c3)c21 ZINC000024615251 523861723 /nfs/dbraw/zinc/86/17/23/523861723.db2.gz XATKRNFDVURNSA-UHFFFAOYSA-N 0 0 444.868 2.693 50 0 IFAARN CCc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000012768764 523863699 /nfs/dbraw/zinc/86/36/99/523863699.db2.gz NCSHSSUCFPLMTK-AWEZNQCLSA-N 0 0 428.514 2.756 50 0 IFAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)NC(C)C)cc3)S2(=O)=O)cc1 ZINC000021913340 523871428 /nfs/dbraw/zinc/87/14/28/523871428.db2.gz OIFVPZNUAWLBRC-UHFFFAOYSA-N 0 0 428.510 2.937 50 0 IFAARN CC[C@H](C)CN1C(=O)[C@@H](C(C)C)NC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000036024590 523879305 /nfs/dbraw/zinc/87/93/05/523879305.db2.gz AGMTVAMWIBGUPQ-QFBILLFUSA-N 0 0 425.570 2.809 50 0 IFAARN COc1ccc(CC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(OC)c1OC ZINC000012783223 523891345 /nfs/dbraw/zinc/89/13/45/523891345.db2.gz GLWMEHJMWIQDRG-UHFFFAOYSA-N 0 0 426.513 2.810 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1 ZINC000020761858 523910042 /nfs/dbraw/zinc/91/00/42/523910042.db2.gz YZMSVZYLPDOGCC-UNMCSNQZSA-N 0 0 434.496 2.860 50 0 IFAARN COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000036054242 523913915 /nfs/dbraw/zinc/91/39/15/523913915.db2.gz UDHBXDRREIDSCH-WOJBJXKFSA-N 0 0 426.513 2.631 50 0 IFAARN COCCNC(=O)[C@]1(C)Cn2c(cc3ccsc32)C(=O)N1c1ccc(OC)c(OC)c1 ZINC000035405769 523922260 /nfs/dbraw/zinc/92/22/60/523922260.db2.gz RSZRJEIRZAMXJG-QFIPXVFZSA-N 0 0 443.525 2.902 50 0 IFAARN CCc1ccc(CNC(=O)CNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2CC)cc1 ZINC000021919922 523933462 /nfs/dbraw/zinc/93/34/62/523933462.db2.gz KPEKBELXGGBGRA-AREMUKBSSA-N 0 0 446.551 2.871 50 0 IFAARN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccc(F)c3)cc2)C1 ZINC000012921465 523951750 /nfs/dbraw/zinc/95/17/50/523951750.db2.gz IQFNKOUMCIJCIF-INIZCTEOSA-N 0 0 434.489 2.581 50 0 IFAARN CCc1ccc(Cl)c(CC)c1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012733077 523953333 /nfs/dbraw/zinc/95/33/33/523953333.db2.gz OIROORXWODPTAW-CYBMUJFWSA-N 0 0 425.938 2.569 50 0 IFAARN COc1ccc(CCNC(=O)C[C@@H](C(=O)N2CCc3ccccc32)n2ccnc2)cc1OC ZINC000020682894 523959381 /nfs/dbraw/zinc/95/93/81/523959381.db2.gz YRZUCDISBLZUCY-NRFANRHFSA-N 0 0 448.523 2.780 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1 ZINC000010186690 523959991 /nfs/dbraw/zinc/95/99/91/523959991.db2.gz FWILMLWUTCUVDI-UHFFFAOYSA-N 0 0 439.537 2.833 50 0 IFAARN COc1ccc(CCNC(=O)Cn2c3ccccc3nc(C(F)(F)F)c2=O)cc1OC ZINC000032944682 523961283 /nfs/dbraw/zinc/96/12/83/523961283.db2.gz FVBHLPFFSDAVMH-UHFFFAOYSA-N 0 0 435.402 2.791 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000020581422 523963205 /nfs/dbraw/zinc/96/32/05/523963205.db2.gz KVYCEJCUNNVMLS-PMACEKPBSA-N 0 0 427.526 2.604 50 0 IFAARN CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)CC1 ZINC000035424357 523963946 /nfs/dbraw/zinc/96/39/46/523963946.db2.gz FXQISAVFNHYBOV-HNNXBMFYSA-N 0 0 441.619 2.690 50 0 IFAARN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)cc1 ZINC000012768855 523965131 /nfs/dbraw/zinc/96/51/31/523965131.db2.gz KMAOIHJSCWMWNJ-QGZVFWFLSA-N 0 0 429.542 2.799 50 0 IFAARN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 ZINC000020327687 523970322 /nfs/dbraw/zinc/97/03/22/523970322.db2.gz ZERUSZPXKBCXAU-UHFFFAOYSA-N 0 0 443.525 2.733 50 0 IFAARN COc1ccc(CCNc2ncnc3sc(C(=O)NC[C@@H](C)O)c(C)c32)cc1OC ZINC000014993506 523979257 /nfs/dbraw/zinc/97/92/57/523979257.db2.gz XXVTYAPLEOTDBK-GFCCVEGCSA-N 0 0 430.530 2.782 50 0 IFAARN CCc1ccc([C@@H](C)NC(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000012871272 524022376 /nfs/dbraw/zinc/02/23/76/524022376.db2.gz WQKNRXCAHKHWPA-GOSISDBHSA-N 0 0 447.576 2.962 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCOc2ccccc2)c(C)c1C ZINC000012717426 524034612 /nfs/dbraw/zinc/03/46/12/524034612.db2.gz YRWAJBHJOHXFBW-JOCHJYFZSA-N 0 0 439.556 2.540 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1OC ZINC000012912610 524062871 /nfs/dbraw/zinc/06/28/71/524062871.db2.gz QANZSXGZWGKIHT-MRXNPFEDSA-N 0 0 438.571 2.791 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(N4CCCCC4=O)s3)C2)cc1 ZINC000021027844 524064574 /nfs/dbraw/zinc/06/45/74/524064574.db2.gz JNERLSKWGARRBS-INIZCTEOSA-N 0 0 429.546 2.596 50 0 IFAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(C)cc3C(=O)N2c2cccc(OC)c2)cc1 ZINC000035477342 524065063 /nfs/dbraw/zinc/06/50/63/524065063.db2.gz VWACMQJJCIQKOL-DEOSSOPVSA-N 0 0 434.496 2.944 50 0 IFAARN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc32)N2CCOCC2)c1 ZINC000023107138 524096135 /nfs/dbraw/zinc/09/61/35/524096135.db2.gz UVTHQKZFXRFRJJ-HSZRJFAPSA-N 0 0 448.523 2.680 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCCNC(=O)c3ccco3)cc2)C1 ZINC000021339062 524104536 /nfs/dbraw/zinc/10/45/36/524104536.db2.gz OTEUAOGLTSPCTK-INIZCTEOSA-N 0 0 433.530 2.849 50 0 IFAARN Cc1ccc(C)c(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCCC2)c1 ZINC000020928109 524119188 /nfs/dbraw/zinc/11/91/88/524119188.db2.gz RJHLRDQKCCKUJW-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN Cc1cccc(-c2nsc3c2ncn(CC(=O)NCc2ccc4c(c2)OCO4)c3=O)c1 ZINC000033300185 524135343 /nfs/dbraw/zinc/13/53/43/524135343.db2.gz ZEWWQIRQWQUNHD-UHFFFAOYSA-N 0 0 434.477 2.874 50 0 IFAARN COc1cccc([C@@]2(C)NC(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1 ZINC000033440921 524137979 /nfs/dbraw/zinc/13/79/79/524137979.db2.gz SBMZPDXQXQAZEY-JOCHJYFZSA-N 0 0 428.920 2.895 50 0 IFAARN Cc1cccc(-n2ncc3c2nc2n(c3=O)[C@@H](CC(=O)NCc3ccncc3)CS2)c1 ZINC000012663945 524149406 /nfs/dbraw/zinc/14/94/06/524149406.db2.gz DIEIZJPMGOLMGZ-KRWDZBQOSA-N 0 0 432.509 2.639 50 0 IFAARN COc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccc(F)cc3)[nH]c2=O)cc1 ZINC000015882079 524166331 /nfs/dbraw/zinc/16/63/31/524166331.db2.gz HIVCMAFQKJIQKX-UHFFFAOYSA-N 0 0 440.460 2.694 50 0 IFAARN COc1ccc(Cc2nnc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)s2)cc1 ZINC000044892020 524167898 /nfs/dbraw/zinc/16/78/98/524167898.db2.gz IHYKJZQESWVPPU-MRXNPFEDSA-N 0 0 437.481 2.866 50 0 IFAARN Cc1ccc(C)c(OCCC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 ZINC000012626962 524171611 /nfs/dbraw/zinc/17/16/11/524171611.db2.gz LXZUMGDTWPQZAM-UHFFFAOYSA-N 0 0 446.569 2.551 50 0 IFAARN COc1cccc([C@H]2OCCn3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)c1O ZINC000035373187 524187452 /nfs/dbraw/zinc/18/74/52/524187452.db2.gz HULTVLSEORFYNO-HSZRJFAPSA-N 0 0 447.491 2.848 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)c1 ZINC000013126504 524188443 /nfs/dbraw/zinc/18/84/43/524188443.db2.gz SJPRSOSUZJCRTM-UHFFFAOYSA-N 0 0 427.320 2.806 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1 ZINC000012814898 524189708 /nfs/dbraw/zinc/18/97/08/524189708.db2.gz LUMIDHLMPBZNOY-UHFFFAOYSA-N 0 0 448.552 2.943 50 0 IFAARN COc1cccc([C@]2(CC(=O)N3CCC(OC)CC3)CC(=O)N(C3CCCC3)C2=O)c1 ZINC000012201724 524191954 /nfs/dbraw/zinc/19/19/54/524191954.db2.gz QRWDQXPFUVSEFM-DEOSSOPVSA-N 0 0 428.529 2.662 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000021686714 524192307 /nfs/dbraw/zinc/19/23/07/524192307.db2.gz HQMVMLMQWJHVDU-AWEZNQCLSA-N 0 0 439.921 2.591 50 0 IFAARN C[C@@H](C(=O)NCc1ccccc1)N1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2C ZINC000034792942 524214030 /nfs/dbraw/zinc/21/40/30/524214030.db2.gz YKFPNHYRHSHONW-VBKZILBWSA-N 0 0 438.915 2.837 50 0 IFAARN Cc1ccc(C)n1-c1sccc1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000022533056 524221817 /nfs/dbraw/zinc/22/18/17/524221817.db2.gz SJWHKBAJRYZLOW-UHFFFAOYSA-N 0 0 433.511 2.599 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000012820749 524223071 /nfs/dbraw/zinc/22/30/71/524223071.db2.gz YZIIGVFVCMQZJR-AWEZNQCLSA-N 0 0 445.903 2.950 50 0 IFAARN Cc1cccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1O ZINC000009666411 524225167 /nfs/dbraw/zinc/22/51/67/524225167.db2.gz NKEDJQJCFQDLFY-UHFFFAOYSA-N 0 0 446.525 2.979 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCCNC(=O)c3ccco3)cc2)C1 ZINC000021339061 524241998 /nfs/dbraw/zinc/24/19/98/524241998.db2.gz OTEUAOGLTSPCTK-MRXNPFEDSA-N 0 0 433.530 2.849 50 0 IFAARN C[C@@H](C(=O)Nc1cc(F)ccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012866846 524244875 /nfs/dbraw/zinc/24/48/75/524244875.db2.gz LAZIENUAHAUXGN-KBPBESRZSA-N 0 0 430.455 2.988 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(-c3ccncc3)nn2)CC1 ZINC000012443470 524250089 /nfs/dbraw/zinc/25/00/89/524250089.db2.gz LIHIKHLNPSZYDX-UHFFFAOYSA-N 0 0 445.932 2.712 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1N1CCCCC1 ZINC000012554635 524259820 /nfs/dbraw/zinc/25/98/20/524259820.db2.gz BYDDFSGUCGCCTB-KRWDZBQOSA-N 0 0 430.574 2.783 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000024592926 524270963 /nfs/dbraw/zinc/27/09/63/524270963.db2.gz OPALYRCAXPRTSU-KRWDZBQOSA-N 0 0 437.496 2.525 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[C@H](C)NC(=O)c2ccccc2)CC1 ZINC000035264451 524276034 /nfs/dbraw/zinc/27/60/34/524276034.db2.gz IIOMSJLGIPRFJV-FQEVSTJZSA-N 0 0 436.556 2.595 50 0 IFAARN Cc1cc(C)c(NC(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)c(Cl)c1 ZINC000021434683 524282441 /nfs/dbraw/zinc/28/24/41/524282441.db2.gz KZZCYKCCWXGWTI-UHFFFAOYSA-N 0 0 428.964 2.829 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccccc3)c2=O)c(C)c1 ZINC000021713970 524293051 /nfs/dbraw/zinc/29/30/51/524293051.db2.gz HUIBJFWAQDIDSM-UHFFFAOYSA-N 0 0 431.496 2.509 50 0 IFAARN Cc1ccc(CCC2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)CC2)cc1 ZINC000021128236 524305780 /nfs/dbraw/zinc/30/57/80/524305780.db2.gz YZXYYZISTFFHHK-UHFFFAOYSA-N 0 0 445.585 2.829 50 0 IFAARN Cc1cccc(C)c1OCC(=O)OCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000021335966 524307790 /nfs/dbraw/zinc/30/77/90/524307790.db2.gz SKIJOCZZLDRPRR-UHFFFAOYSA-N 0 0 431.510 2.821 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)[C@H]1C ZINC000251835525 524313772 /nfs/dbraw/zinc/31/37/72/524313772.db2.gz NSSUXYQMXSEYIM-GQIGUUNPSA-N 0 0 445.585 2.878 50 0 IFAARN C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)[C@@H]1C ZINC000020558104 524315557 /nfs/dbraw/zinc/31/55/57/524315557.db2.gz VMSBOKRHIFXODJ-SPYBWZPUSA-N 0 0 427.526 2.981 50 0 IFAARN Cc1cccc(CN2CCCn3nc(C(=O)NCc4ccc5c(c4)OCO5)cc3C2=O)c1 ZINC000035429364 524396231 /nfs/dbraw/zinc/39/62/31/524396231.db2.gz GICQKGMMLDEHOD-UHFFFAOYSA-N 0 0 432.480 2.896 50 0 IFAARN Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)c1 ZINC000035452717 524419856 /nfs/dbraw/zinc/41/98/56/524419856.db2.gz UKORGLQWQGSTGX-HNNXBMFYSA-N 0 0 431.514 2.590 50 0 IFAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 ZINC000020994276 524433572 /nfs/dbraw/zinc/43/35/72/524433572.db2.gz SRPPTFAHPOQIBY-HNNXBMFYSA-N 0 0 429.498 2.777 50 0 IFAARN COc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)cc1 ZINC000020486082 524461125 /nfs/dbraw/zinc/46/11/25/524461125.db2.gz AXCAFTGKYWQMTC-HSZRJFAPSA-N 0 0 430.508 2.945 50 0 IFAARN COc1ccccc1CNC(=O)CN1C(=O)C(C)=C(c2ccc(C)c(C)c2)S1(=O)=O ZINC000033265428 524464116 /nfs/dbraw/zinc/46/41/16/524464116.db2.gz PMCHGLAGKARTNJ-UHFFFAOYSA-N 0 0 428.510 2.531 50 0 IFAARN COc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000020848354 524474226 /nfs/dbraw/zinc/47/42/26/524474226.db2.gz BDZURDMASIJRCS-GOSISDBHSA-N 0 0 430.551 2.963 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(OCc3ccccc3C)c(=O)cc2CO)c(OC)c1 ZINC000012231260 524531536 /nfs/dbraw/zinc/53/15/36/524531536.db2.gz RIKMIFSUWPKVSH-UHFFFAOYSA-N 0 0 438.480 2.884 50 0 IFAARN Cc1cc(C)n(Cc2c(C)onc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000020994044 524535054 /nfs/dbraw/zinc/53/50/54/524535054.db2.gz IQMOUDCYUDOLSM-UHFFFAOYSA-N 0 0 437.500 2.531 50 0 IFAARN Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)o1 ZINC000021532506 524550221 /nfs/dbraw/zinc/55/02/21/524550221.db2.gz QMMOEAYFQSKIOT-KRWDZBQOSA-N 0 0 445.541 2.580 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3noc(C)n3)sc2C)CC1 ZINC000035539096 524559356 /nfs/dbraw/zinc/55/93/56/524559356.db2.gz ZJOGSVZPCIDEPO-UHFFFAOYSA-N 0 0 434.543 2.934 50 0 IFAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3C)n2)CC1 ZINC000035375480 524563566 /nfs/dbraw/zinc/56/35/66/524563566.db2.gz LGKVKBPJCOXZEP-UHFFFAOYSA-N 0 0 447.539 2.834 50 0 IFAARN Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)c1 ZINC000020529895 524584415 /nfs/dbraw/zinc/58/44/15/524584415.db2.gz FCPBVCRUFJRUDV-INIZCTEOSA-N 0 0 441.553 2.990 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cccc(S(C)(=O)=O)c2)c1C ZINC000021337072 524590623 /nfs/dbraw/zinc/59/06/23/524590623.db2.gz QNGXHJHHVLEXPW-LJQANCHMSA-N 0 0 444.553 2.967 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000008825793 524591644 /nfs/dbraw/zinc/59/16/44/524591644.db2.gz KDVJUVDQYRHAQA-MRXNPFEDSA-N 0 0 449.573 2.599 50 0 IFAARN COc1ccccc1NC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@@H]2C1=O ZINC000035445568 524594780 /nfs/dbraw/zinc/59/47/80/524594780.db2.gz XJJPXEYNRKVIPI-LJQANCHMSA-N 0 0 436.512 2.741 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1C ZINC000012927882 524597406 /nfs/dbraw/zinc/59/74/06/524597406.db2.gz PJHOIJYONRXWAG-UHFFFAOYSA-N 0 0 429.542 2.765 50 0 IFAARN Cc1cccc(NC(=O)CSCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000012910469 524602720 /nfs/dbraw/zinc/60/27/20/524602720.db2.gz MVOSOEGJCICIEH-UHFFFAOYSA-N 0 0 441.553 2.740 50 0 IFAARN COc1ccccc1NC(=O)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 ZINC000035451523 524608372 /nfs/dbraw/zinc/60/83/72/524608372.db2.gz RRYBDVKIYOEZFZ-UHFFFAOYSA-N 0 0 436.512 2.563 50 0 IFAARN Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C ZINC000033261996 524656570 /nfs/dbraw/zinc/65/65/70/524656570.db2.gz ANGFUSWJVIJSIV-DNVCBOLYSA-N 0 0 443.525 2.815 50 0 IFAARN COc1ccc(NC(=O)c2nnc(C(=O)NCc3ccc(OC)cc3OC)s2)cc1 ZINC000033060191 524657268 /nfs/dbraw/zinc/65/72/68/524657268.db2.gz DUNZPFRGBVUVJP-UHFFFAOYSA-N 0 0 428.470 2.746 50 0 IFAARN Cc1cccc(NC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 ZINC000012533303 524666531 /nfs/dbraw/zinc/66/65/31/524666531.db2.gz RJIOPCJAUPEXRP-UHFFFAOYSA-N 0 0 426.951 2.873 50 0 IFAARN COc1ccccc1Oc1coc2c(ccc3c2CN([C@@H]2CCS(=O)(=O)C2)CO3)c1=O ZINC000012442555 524696559 /nfs/dbraw/zinc/69/65/59/524696559.db2.gz XMIPKWLNRNIYFI-CQSZACIVSA-N 0 0 443.477 2.933 50 0 IFAARN COc1ccc(N[C@@H](C)C(=O)c2c[nH]c3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000012644964 524699761 /nfs/dbraw/zinc/69/97/61/524699761.db2.gz MRPZYRNJSBGAIG-HNNXBMFYSA-N 0 0 443.525 2.881 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000034866191 524742217 /nfs/dbraw/zinc/74/22/17/524742217.db2.gz OHFUDEUUIZDTME-UHFFFAOYSA-N 0 0 425.913 2.733 50 0 IFAARN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2 ZINC000035445328 524760223 /nfs/dbraw/zinc/76/02/23/524760223.db2.gz BAQHYWQSLKDELY-UHFFFAOYSA-N 0 0 435.908 2.887 50 0 IFAARN Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NCc3ccccc3Cl)c3cccnc32)cc1 ZINC000035536762 524762035 /nfs/dbraw/zinc/76/20/35/524762035.db2.gz PNMSZDORSUKQKU-UHFFFAOYSA-N 0 0 448.910 2.885 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NC[C@@H]3CCCO3)no2)c1 ZINC000036014746 524789282 /nfs/dbraw/zinc/78/92/82/524789282.db2.gz SJGHABHVOFTMSR-LPHOPBHVSA-N 0 0 443.500 2.649 50 0 IFAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)C2=NNC(=O)CC2)C3)c1 ZINC000012218544 524792354 /nfs/dbraw/zinc/79/23/54/524792354.db2.gz CWULPPFAEVNPRR-OAHLLOKOSA-N 0 0 443.887 2.710 50 0 IFAARN Cc1cccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000035531384 524795186 /nfs/dbraw/zinc/79/51/86/524795186.db2.gz UUISPRHWTOHFGW-UHFFFAOYSA-N 0 0 430.526 2.831 50 0 IFAARN COc1ccc(OC)c(-c2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)[nH]2)c1 ZINC000035066925 524795602 /nfs/dbraw/zinc/79/56/02/524795602.db2.gz QGABOHJFEJUIRG-UHFFFAOYSA-N 0 0 426.454 2.609 50 0 IFAARN COc1ccc(OC)c(CCNC(=O)[C@@H](C)n2c3ccccc3c3nc(=O)cc(C)n32)c1 ZINC000020464931 524819807 /nfs/dbraw/zinc/81/98/07/524819807.db2.gz OWKFQWUTRSXQEM-MRXNPFEDSA-N 0 0 434.496 2.895 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3nc(C)nc4onc(C)c43)C2)c1 ZINC000021881368 524832287 /nfs/dbraw/zinc/83/22/87/524832287.db2.gz NLRZMSFPYLSWEC-HNNXBMFYSA-N 0 0 425.489 2.785 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2cc(OCc3ccccc3F)c(=O)cc2CO)c1 ZINC000012230944 524856671 /nfs/dbraw/zinc/85/66/71/524856671.db2.gz VOXJSXJLLQXUGU-UHFFFAOYSA-N 0 0 442.443 2.715 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)c1 ZINC000035508299 524862309 /nfs/dbraw/zinc/86/23/09/524862309.db2.gz WVCDEYHHPDAYNM-OAHLLOKOSA-N 0 0 435.484 2.980 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nnc(COc3ccccc3F)n2N)c1 ZINC000015278735 524864636 /nfs/dbraw/zinc/86/46/36/524864636.db2.gz RLSYUOHAFFCEIL-LBPRGKRZSA-N 0 0 447.492 2.847 50 0 IFAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCC2)cc1C ZINC000020928000 524921105 /nfs/dbraw/zinc/92/11/05/524921105.db2.gz AQXRWAKAYLVRKU-JOCHJYFZSA-N 0 0 435.590 2.509 50 0 IFAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCC2)c(C)c1 ZINC000020927990 524921279 /nfs/dbraw/zinc/92/12/79/524921279.db2.gz QMHXJHGQFPGZOY-JOCHJYFZSA-N 0 0 435.590 2.509 50 0 IFAARN COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)C[C@H](O)c2ccccc2)c1 ZINC000012372766 524926067 /nfs/dbraw/zinc/92/60/67/524926067.db2.gz IFJLVYCSDJMJGL-QFIPXVFZSA-N 0 0 426.513 2.891 50 0 IFAARN C[C@@H](Cc1ccco1)NC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000033170028 524927404 /nfs/dbraw/zinc/92/74/04/524927404.db2.gz GHIVKIRNKJKJMA-HNNXBMFYSA-N 0 0 444.513 2.865 50 0 IFAARN C[C@H](NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000022812124 524950742 /nfs/dbraw/zinc/95/07/42/524950742.db2.gz YQMIBMWGRBBANT-IBGZPJMESA-N 0 0 428.621 2.665 50 0 IFAARN C[C@@H]1CN(CCNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)C[C@@H](C)O1 ZINC000022612514 524955507 /nfs/dbraw/zinc/95/55/07/524955507.db2.gz BUDNHVUYODFQOG-BDZHWRPJSA-N 0 0 443.569 2.938 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)N[C@H]3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 ZINC000020529826 524981162 /nfs/dbraw/zinc/98/11/62/524981162.db2.gz XLDFGRMOFXAIOI-GUXCAODWSA-N 0 0 447.601 2.738 50 0 IFAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2nn3cnnc3s2)c1 ZINC000013145996 524994885 /nfs/dbraw/zinc/99/48/85/524994885.db2.gz UIRXBNCOCSEUAK-LBPRGKRZSA-N 0 0 440.510 2.578 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN(C)Cc1ccco1 ZINC000012601210 525026373 /nfs/dbraw/zinc/02/63/73/525026373.db2.gz WCXKYOJEDSSHJK-UHFFFAOYSA-N 0 0 435.546 2.923 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000015391117 525027249 /nfs/dbraw/zinc/02/72/49/525027249.db2.gz VUOOKPLLQMHKSM-KRWDZBQOSA-N 0 0 446.525 2.674 50 0 IFAARN Cc1ccccc1-n1ccn(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1=O ZINC000022725577 525030699 /nfs/dbraw/zinc/03/06/99/525030699.db2.gz WRCDKQYQAGAVCJ-UHFFFAOYSA-N 0 0 432.249 2.848 50 0 IFAARN Cc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000015311466 525034801 /nfs/dbraw/zinc/03/48/01/525034801.db2.gz RQEHUPSTDPQZFX-UHFFFAOYSA-N 0 0 429.542 2.928 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1OC ZINC000012443565 525038321 /nfs/dbraw/zinc/03/83/21/525038321.db2.gz FHNPWLSXEFWDKN-UHFFFAOYSA-N 0 0 446.554 2.733 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000022848687 525042939 /nfs/dbraw/zinc/04/29/39/525042939.db2.gz PTMLAAAPWZHBPQ-IBGZPJMESA-N 0 0 426.536 2.737 50 0 IFAARN Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000011904783 525050898 /nfs/dbraw/zinc/05/08/98/525050898.db2.gz FIYWJCUNERKBNN-UHFFFAOYSA-N 0 0 428.919 2.824 50 0 IFAARN C[C@H]1Oc2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc4ccccc4c3)cc2NC1=O ZINC000012878862 525063143 /nfs/dbraw/zinc/06/31/43/525063143.db2.gz URSPTFSSTNDZKQ-CQSZACIVSA-N 0 0 439.493 2.818 50 0 IFAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccc(F)c4)C3)cc2NC1=O ZINC000035219968 525063993 /nfs/dbraw/zinc/06/39/93/525063993.db2.gz ZONFMHGMIPRUAS-KGLIPLIRSA-N 0 0 447.488 2.585 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1F ZINC000022000829 525064937 /nfs/dbraw/zinc/06/49/37/525064937.db2.gz WSRBSKXUMKSWGG-DMZKTXOQSA-N 0 0 433.480 2.753 50 0 IFAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 ZINC000012875961 525070396 /nfs/dbraw/zinc/07/03/96/525070396.db2.gz BBLDOVQOISIMDX-MRXNPFEDSA-N 0 0 430.526 2.736 50 0 IFAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000012924083 525070457 /nfs/dbraw/zinc/07/04/57/525070457.db2.gz VAUIOQRTRUZJGD-OAHLLOKOSA-N 0 0 448.516 2.875 50 0 IFAARN Cc1cc(N2CCN(C(=O)CCC(=O)N3CCC(c4ccccc4)=N3)CC2)nc(C(C)C)n1 ZINC000012795809 525072342 /nfs/dbraw/zinc/07/23/42/525072342.db2.gz MCGFHLGSVAPLIH-UHFFFAOYSA-N 0 0 448.571 2.974 50 0 IFAARN Cc1ccc(NC(=O)CSCCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000024752076 525075421 /nfs/dbraw/zinc/07/54/21/525075421.db2.gz IHCHQGGSKSLQGL-UHFFFAOYSA-N 0 0 434.583 2.930 50 0 IFAARN Cc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)n2C[C@@H]2CCCO2)c(Cl)c1 ZINC000012447166 525077761 /nfs/dbraw/zinc/07/77/61/525077761.db2.gz NVUKXGTYJOCEHB-LBPRGKRZSA-N 0 0 433.921 2.991 50 0 biogenic,in-vitro IFAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)CNC(=O)c3ccco3)s2)c(C)c1 ZINC000012758630 525086190 /nfs/dbraw/zinc/08/61/90/525086190.db2.gz DYAIPVAEESTWSP-UHFFFAOYSA-N 0 0 445.526 2.847 50 0 IFAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc3c(c2)OCO3)c2ccco2)cc1 ZINC000016954368 525091193 /nfs/dbraw/zinc/09/11/93/525091193.db2.gz ACNRBVFQFBPROT-FQEVSTJZSA-N 0 0 429.450 2.962 50 0 IFAARN COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccccc3)c2=O)cc1 ZINC000012415755 525093461 /nfs/dbraw/zinc/09/34/61/525093461.db2.gz XJJFJUUZUUQSBU-UHFFFAOYSA-N 0 0 426.494 2.945 50 0 IFAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCc4ccccc4C3)n2C)cc1 ZINC000013567157 525097039 /nfs/dbraw/zinc/09/70/39/525097039.db2.gz CNWKYWMTLVDSQH-UHFFFAOYSA-N 0 0 435.553 2.982 50 0 IFAARN COc1ccc(SCC(=O)Nc2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1 ZINC000035590074 525103701 /nfs/dbraw/zinc/10/37/01/525103701.db2.gz MZBKMKYXPTYWCO-UHFFFAOYSA-N 0 0 448.526 2.726 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c(N4CCSCC4)nc4ccccc4n3c2=O)cc1 ZINC000035425754 525107447 /nfs/dbraw/zinc/10/74/47/525107447.db2.gz LMYDVTSBSQIGCA-UHFFFAOYSA-N 0 0 434.525 2.545 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c(N4CCSCC4)nc4ccccc4n3c2=O)cc1C ZINC000035425832 525108225 /nfs/dbraw/zinc/10/82/25/525108225.db2.gz HPTQYTSKYUWCDV-UHFFFAOYSA-N 0 0 448.552 2.853 50 0 IFAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@@H](C)C(=O)Nc1ncnc2[nH]cnc21 ZINC000022188777 525114631 /nfs/dbraw/zinc/11/46/31/525114631.db2.gz NXWPADLQUOOHLP-JTQLQIEISA-N 0 0 430.490 2.891 50 0 IFAARN C[C@@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccccc1Cl ZINC000032946807 525124053 /nfs/dbraw/zinc/12/40/53/525124053.db2.gz DAWLHVWIXRCITH-LLVKDONJSA-N 0 0 438.962 2.844 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C(=O)Nc1ccccc1 ZINC000012389099 525138765 /nfs/dbraw/zinc/13/87/65/525138765.db2.gz VDEJMRNGFQHAEX-JKSUJKDBSA-N 0 0 449.960 2.884 50 0 IFAARN COc1ccc([C@@H](CNC(=O)c2cccc(CN3CCCC3=O)c2)N2CCOCC2)cc1 ZINC000012904844 525187922 /nfs/dbraw/zinc/18/79/22/525187922.db2.gz OUHRCZVBFBEDFZ-HSZRJFAPSA-N 0 0 437.540 2.621 50 0 IFAARN C[C@@H]1C[C@@H](C(=O)NCc2nc3ccc(Cl)cc3c(NC3CCCC3)n2)NC(=S)N1 ZINC000012218688 525189853 /nfs/dbraw/zinc/18/98/53/525189853.db2.gz PEOKXSYOKCAYEW-BZNIZROVSA-N 0 0 432.981 2.879 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2Cc2ccco2)cc1F ZINC000012777198 525195669 /nfs/dbraw/zinc/19/56/69/525195669.db2.gz SEJXFTYJDHXGAC-CYBMUJFWSA-N 0 0 431.493 2.904 50 0 IFAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C(N)=O)cnn32)cc1OC ZINC000044891460 525215401 /nfs/dbraw/zinc/21/54/01/525215401.db2.gz AQRGORFLOMWUIV-HXUWFJFHSA-N 0 0 433.468 2.927 50 0 IFAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)cc1 ZINC000012728168 525218091 /nfs/dbraw/zinc/21/80/91/525218091.db2.gz YJWZUHMKXRKMQC-KRWDZBQOSA-N 0 0 431.495 2.960 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c(C)c1 ZINC000020326850 525221783 /nfs/dbraw/zinc/22/17/83/525221783.db2.gz RQLYTDLHNCVIKS-INIZCTEOSA-N 0 0 443.525 2.788 50 0 IFAARN Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1 ZINC000021108630 525232981 /nfs/dbraw/zinc/23/29/81/525232981.db2.gz WBOKAKLABGXYTF-UHFFFAOYSA-N 0 0 443.525 2.674 50 0 IFAARN C[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000015863954 525246808 /nfs/dbraw/zinc/24/68/08/525246808.db2.gz SPBWSFLISVLKJO-AWEZNQCLSA-N 0 0 430.486 2.995 50 0 IFAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000021417792 525248175 /nfs/dbraw/zinc/24/81/75/525248175.db2.gz WLDXMRKTEAEBBT-UHFFFAOYSA-N 0 0 439.873 2.700 50 0 IFAARN Cc1ccccc1OCC(=O)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011913998 525276792 /nfs/dbraw/zinc/27/67/92/525276792.db2.gz NOZUOQSBIILBSU-AWEZNQCLSA-N 0 0 442.331 2.945 50 0 IFAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000012891474 525283878 /nfs/dbraw/zinc/28/38/78/525283878.db2.gz CRUBHWHWHVOCBA-LJQANCHMSA-N 0 0 437.374 3.000 50 0 IFAARN C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCC(C(=O)N3CCCCCC3)CC2)C1=O ZINC000012799258 525317328 /nfs/dbraw/zinc/31/73/28/525317328.db2.gz KHVVADHHAXAOFJ-HSZRJFAPSA-N 0 0 448.514 2.804 50 0 IFAARN COc1ccc([C@H](CC(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)NC(C)=O)cc1 ZINC000022305128 525345718 /nfs/dbraw/zinc/34/57/18/525345718.db2.gz IXGMUYSZOBZELX-MDOVXXIYSA-N 0 0 446.573 2.967 50 0 IFAARN Cc1ccc(OCC(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011913996 525378706 /nfs/dbraw/zinc/37/87/06/525378706.db2.gz KZOHOCNEOYUHML-AWEZNQCLSA-N 0 0 442.331 2.945 50 0 IFAARN C[C@@H]1C[C@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 ZINC000012393267 525389633 /nfs/dbraw/zinc/38/96/33/525389633.db2.gz QXDXQVQGJJQEFJ-BETUJISGSA-N 0 0 433.915 2.757 50 0 IFAARN COc1ccc([C@H]2CCCCCN2C(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)cc1 ZINC000012677371 525408088 /nfs/dbraw/zinc/40/80/88/525408088.db2.gz SHHLARVZSZDRBA-HXUWFJFHSA-N 0 0 434.496 2.648 50 0 IFAARN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)ccc1Br ZINC000012560878 525420341 /nfs/dbraw/zinc/42/03/41/525420341.db2.gz GUMJETKNUVFGDN-UHFFFAOYSA-N 0 0 445.360 2.999 50 0 IFAARN Cc1ccc(OCc2c(C(=O)NCC(C)C)c(=O)cc(C)n2CCN2CCOCC2)cc1 ZINC000020778250 525443669 /nfs/dbraw/zinc/44/36/69/525443669.db2.gz GDYOLOHGIYDQNQ-UHFFFAOYSA-N 0 0 441.572 2.762 50 0 IFAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nc4ccc(OC)cc4s3)C2=O)cc1 ZINC000012927491 525444422 /nfs/dbraw/zinc/44/44/22/525444422.db2.gz ZQAQFTRWVZOYLE-NRFANRHFSA-N 0 0 440.481 2.719 50 0 IFAARN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000020726090 525446950 /nfs/dbraw/zinc/44/69/50/525446950.db2.gz SVLVSWGCULQKJA-UNMCSNQZSA-N 0 0 435.480 2.586 50 0 IFAARN Cc1cccn2c(=O)cc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)nc12 ZINC000009253233 525463514 /nfs/dbraw/zinc/46/35/14/525463514.db2.gz SSIWTTRQNOCWKQ-UHFFFAOYSA-N 0 0 448.552 2.772 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])n(CC(C)C)c(=O)n(CC(C)C)c1=O ZINC000020612228 525485947 /nfs/dbraw/zinc/48/59/47/525485947.db2.gz ZSWBXUKXGMQWOZ-NRFANRHFSA-N 0 0 440.544 2.753 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000001132843 525494218 /nfs/dbraw/zinc/49/42/18/525494218.db2.gz CAJRPXPBZAJYED-UHFFFAOYSA-N 0 0 435.977 2.926 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(N)c1 ZINC000012677588 525494865 /nfs/dbraw/zinc/49/48/65/525494865.db2.gz AKYUPJCJAWPQPO-GFCCVEGCSA-N 0 0 439.921 2.665 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)cc1 ZINC000023846086 525498069 /nfs/dbraw/zinc/49/80/69/525498069.db2.gz MVHXSRXMSQSLJL-UHFFFAOYSA-N 0 0 445.585 2.661 50 0 IFAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000022023523 525524733 /nfs/dbraw/zinc/52/47/33/525524733.db2.gz PPTKIZYPAOLPKL-SSDOTTSWSA-N 0 0 427.356 2.842 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)c(C)c1 ZINC000033037686 525529790 /nfs/dbraw/zinc/52/97/90/525529790.db2.gz PDFVWKCEVCJZKR-UHFFFAOYSA-N 0 0 438.553 2.750 50 0 IFAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2nn3cnnc3s2)c1 ZINC000013145995 525536995 /nfs/dbraw/zinc/53/69/95/525536995.db2.gz UIRXBNCOCSEUAK-GFCCVEGCSA-N 0 0 440.510 2.578 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCc4cc(C)ccc43)CC2)cc1 ZINC000013056265 525539577 /nfs/dbraw/zinc/53/95/77/525539577.db2.gz XKGSSQYEXNZLOR-UHFFFAOYSA-N 0 0 427.570 2.589 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](NC(=O)C3CCCCC3)C(C)C)CC2)cc1 ZINC000012908440 525539979 /nfs/dbraw/zinc/53/99/79/525539979.db2.gz GEJYUYNPSSJSKX-NRFANRHFSA-N 0 0 449.617 2.549 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000035395548 525541754 /nfs/dbraw/zinc/54/17/54/525541754.db2.gz WTEHWAGYAARBJW-UHFFFAOYSA-N 0 0 439.484 2.541 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)c(C)c1 ZINC000012746191 525546730 /nfs/dbraw/zinc/54/67/30/525546730.db2.gz DWCCPNLBVICQOI-QFIPXVFZSA-N 0 0 445.560 2.769 50 0 IFAARN Cc1c(C(=O)N2CCN(CCO)CC2)sc2ncnc(N[C@@H](C)c3cccs3)c12 ZINC000020992104 525582812 /nfs/dbraw/zinc/58/28/12/525582812.db2.gz NDKVJMXIPOUIPC-AWEZNQCLSA-N 0 0 431.587 2.984 50 0 IFAARN Cc1c(C(=O)NCC(C)(C)N2CCOCC2)cnn1-c1nccc(-c2cccs2)n1 ZINC000020540151 525605852 /nfs/dbraw/zinc/60/58/52/525605852.db2.gz CHSZIOXJGUUFBH-UHFFFAOYSA-N 0 0 426.546 2.540 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)NCCC1=CCCCC1 ZINC000012661758 525611067 /nfs/dbraw/zinc/61/10/67/525611067.db2.gz LRJOQNKYVZBDIC-AOMKIAJQSA-N 0 0 428.485 2.871 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc3ccc(F)cc3)C1)OCC(=O)N2 ZINC000035378779 525613805 /nfs/dbraw/zinc/61/38/05/525613805.db2.gz QOTBRHZPYUNIJN-CQSZACIVSA-N 0 0 447.488 2.504 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)Nc3cccc(F)c3)CC1)OCC(=O)N2 ZINC000033072316 525614556 /nfs/dbraw/zinc/61/45/56/525614556.db2.gz GYDLUCBTIDYWNL-UHFFFAOYSA-N 0 0 447.488 2.504 50 0 IFAARN COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)c(C)nc2c1 ZINC000012844959 525622932 /nfs/dbraw/zinc/62/29/32/525622932.db2.gz NAWNQJWJPDVKJU-UHFFFAOYSA-N 0 0 443.500 2.838 50 0 IFAARN COc1ccc2nc(NC(=O)[C@@H]3CCC(=O)N3S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000035431014 525674466 /nfs/dbraw/zinc/67/44/66/525674466.db2.gz SRTKZWNUHMVHHB-INIZCTEOSA-N 0 0 445.522 2.932 50 0 IFAARN Cc1cc2nc(CSc3nnc(NC(=O)COc4ccc(F)cc4)s3)cc(=O)n2o1 ZINC000035426828 525675277 /nfs/dbraw/zinc/67/52/77/525675277.db2.gz HXSOAXDFAGXFKQ-UHFFFAOYSA-N 0 0 447.473 2.896 50 0 IFAARN COc1ccc2[nH]c(SCC(=O)c3ccc(CCNS(C)(=O)=O)s3)nc2c1 ZINC000012737742 525680084 /nfs/dbraw/zinc/68/00/84/525680084.db2.gz JNWKMRVIMSVVBH-UHFFFAOYSA-N 0 0 425.557 2.700 50 0 IFAARN Cc1ccnc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000012534157 525686119 /nfs/dbraw/zinc/68/61/19/525686119.db2.gz VQZJVXWDYSWOBN-GOSISDBHSA-N 0 0 431.558 2.859 50 0 IFAARN COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)nn3C)nc2c1 ZINC000022768224 525696157 /nfs/dbraw/zinc/69/61/57/525696157.db2.gz UWYJCJTWDQGQGH-UHFFFAOYSA-N 0 0 429.546 2.716 50 0 IFAARN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)CN4CCOC4=O)C3)cc2)c1 ZINC000012199732 525713605 /nfs/dbraw/zinc/71/36/05/525713605.db2.gz GIJVVKBQKJIHCY-LJQANCHMSA-N 0 0 437.496 2.992 50 0 IFAARN COc1cccc(-c2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)[nH]2)c1OC ZINC000035066923 525727404 /nfs/dbraw/zinc/72/74/04/525727404.db2.gz RVKYUBULFFPGMT-UHFFFAOYSA-N 0 0 426.454 2.609 50 0 IFAARN COc1cccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1OC ZINC000012889689 525761006 /nfs/dbraw/zinc/76/10/06/525761006.db2.gz ZNGYYRFYFXZSHQ-ZHACJKMWSA-N 0 0 444.553 2.867 50 0 IFAARN COc1cccc(/C=C(\C(=O)OCC(=O)NCCCN2CCCC2=O)c2ccccc2)c1 ZINC000035074216 525761380 /nfs/dbraw/zinc/76/13/80/525761380.db2.gz UGGCKESWXWLZGU-XLNRJJMWSA-N 0 0 436.508 2.908 50 0 IFAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000012699734 525768415 /nfs/dbraw/zinc/76/84/15/525768415.db2.gz NYTCIYLKXLTACK-UHFFFAOYSA-N 0 0 438.553 2.944 50 0 IFAARN COc1cccc(C(=O)Nc2nnc(SCc3cc(=O)n4nc(C)sc4n3)s2)c1 ZINC000020983495 525838844 /nfs/dbraw/zinc/83/88/44/525838844.db2.gz JYSLITJLJUWMKV-UHFFFAOYSA-N 0 0 446.539 2.864 50 0 IFAARN Cc1c(NC(=O)[C@H](C)Sc2nnnn2C2CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000012677264 525857593 /nfs/dbraw/zinc/85/75/93/525857593.db2.gz UIYMBKWWEJKQIX-AWEZNQCLSA-N 0 0 427.534 2.705 50 0 IFAARN COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)NCC34CC5CC(CC(C5)C3)C4)=C2)c1 ZINC000020467483 525858257 /nfs/dbraw/zinc/85/82/57/525858257.db2.gz ISWJENRAQPEWBX-UHFFFAOYSA-N 0 0 443.569 2.891 50 0 IFAARN Cc1c(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c(=O)n(-c2ccccc2)n1C ZINC000021109007 525871329 /nfs/dbraw/zinc/87/13/29/525871329.db2.gz YAUUCFJNXDLCGY-UHFFFAOYSA-N 0 0 440.525 2.539 50 0 IFAARN C[C@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000023078877 525883083 /nfs/dbraw/zinc/88/30/83/525883083.db2.gz IVOWEJSZHFSNNK-JTQLQIEISA-N 0 0 428.272 2.728 50 0 IFAARN Cc1c(O[C@@H](C)C(=O)NCCCN2CCOCC2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000020548041 525883141 /nfs/dbraw/zinc/88/31/41/525883141.db2.gz AZOVYCDVNXOSLN-KRWDZBQOSA-N 0 0 428.529 2.586 50 0 IFAARN C[C@@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012555926 525885733 /nfs/dbraw/zinc/88/57/33/525885733.db2.gz VEVZSWDOOJREDX-QGZVFWFLSA-N 0 0 445.560 2.678 50 0 IFAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)NC1CCCCC1 ZINC000021731840 525885806 /nfs/dbraw/zinc/88/58/06/525885806.db2.gz FXQUHQMOSZJZSL-OAHLLOKOSA-N 0 0 440.537 2.607 50 0 IFAARN C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCCOc2ccc(Cl)cc2)C1=O ZINC000012788652 525893213 /nfs/dbraw/zinc/89/32/13/525893213.db2.gz HLIFNKURGWXZBF-FQEVSTJZSA-N 0 0 426.864 2.552 50 0 IFAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)c1c[nH]c2ccccc21 ZINC000021372754 525894632 /nfs/dbraw/zinc/89/46/32/525894632.db2.gz DFUCTWNJSALKFG-OAHLLOKOSA-N 0 0 442.493 2.617 50 0 IFAARN C[C@@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CC(=O)Nc2ccccc21 ZINC000012746773 525897642 /nfs/dbraw/zinc/89/76/42/525897642.db2.gz PYBRLWFOCIUAQR-OAHLLOKOSA-N 0 0 430.464 2.892 50 0 IFAARN C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCN1CCOCC1 ZINC000020547014 525916887 /nfs/dbraw/zinc/91/68/87/525916887.db2.gz AMBWPOIYABDKHE-CQSZACIVSA-N 0 0 434.920 2.541 50 0 IFAARN COc1cccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012388836 525921008 /nfs/dbraw/zinc/92/10/08/525921008.db2.gz CHLXXYQDTALRRI-RTBURBONSA-N 0 0 439.961 2.778 50 0 IFAARN Cc1ccc(-n2nc(N3CCCN(C(=O)c4ccc5c(c4)OCO5)CC3)ccc2=O)cc1 ZINC000035503742 525928952 /nfs/dbraw/zinc/92/89/52/525928952.db2.gz OACWTMIBOAXPPX-UHFFFAOYSA-N 0 0 432.480 2.622 50 0 IFAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000012521792 525936717 /nfs/dbraw/zinc/93/67/17/525936717.db2.gz KNLVQYFXASFNCP-KRWDZBQOSA-N 0 0 429.492 2.905 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)n1-c1cccc(O)c1 ZINC000012575004 525944169 /nfs/dbraw/zinc/94/41/69/525944169.db2.gz WEOPQJBHGCLMOK-JXMROGBWSA-N 0 0 427.464 2.866 50 0 IFAARN C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012630846 526015255 /nfs/dbraw/zinc/01/52/55/526015255.db2.gz ADAQHFLLUAFEGA-BXUZGUMPSA-N 0 0 442.588 2.864 50 0 IFAARN C[C@H](C(=O)NCCN1CCOCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562073 526050377 /nfs/dbraw/zinc/05/03/77/526050377.db2.gz BMZLMSUFQMZUHT-INIZCTEOSA-N 0 0 446.979 2.758 50 0 IFAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CN3CCC4(CC3)OCCO4)C2=O)cc1 ZINC000012447574 526051655 /nfs/dbraw/zinc/05/16/55/526051655.db2.gz UYKOOKWCPZLOFU-VWLOTQADSA-N 0 0 436.508 2.599 50 0 IFAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCCc1nc(-c2ccccc2)no1 ZINC000033231664 526060912 /nfs/dbraw/zinc/06/09/12/526060912.db2.gz OWIOLKOCXYTNKD-HNNXBMFYSA-N 0 0 428.514 2.926 50 0 IFAARN COc1cccc(Cc2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCOCC3)no2)c1 ZINC000035460446 526084296 /nfs/dbraw/zinc/08/42/96/526084296.db2.gz CFGPXRDLDCSCSI-UHFFFAOYSA-N 0 0 447.495 2.935 50 0 IFAARN C[C@H](c1ccccc1)N1C(=O)[C@H](C)NC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000036027175 526096033 /nfs/dbraw/zinc/09/60/33/526096033.db2.gz YHBCYEZYWQKPBP-DLBZAZTESA-N 0 0 431.533 2.888 50 0 IFAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1=O ZINC000012600292 526098980 /nfs/dbraw/zinc/09/89/80/526098980.db2.gz PFUSUBPWJPLBFT-AUBMYDRESA-N 0 0 448.523 2.571 50 0 IFAARN COc1cccc(Cn2nnc3cc(C(=O)N4CCN(c5ccccn5)CC4)ccc32)c1 ZINC000035514864 526111519 /nfs/dbraw/zinc/11/15/19/526111519.db2.gz SQWNLVWMECTFMU-UHFFFAOYSA-N 0 0 428.496 2.846 50 0 IFAARN C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012757674 526130920 /nfs/dbraw/zinc/13/09/20/526130920.db2.gz HVDOZDCOPATBAV-OAHLLOKOSA-N 0 0 449.523 2.787 50 0 IFAARN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012860811 526137466 /nfs/dbraw/zinc/13/74/66/526137466.db2.gz FVVGDFGRLSGNAU-FOIQADDNSA-N 0 0 429.904 2.651 50 0 IFAARN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(Cc2ccccc2F)CC1 ZINC000022019314 526143822 /nfs/dbraw/zinc/14/38/22/526143822.db2.gz KMLKOFODPFYLQP-LJQANCHMSA-N 0 0 426.536 2.807 50 0 IFAARN C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000012732439 526146105 /nfs/dbraw/zinc/14/61/05/526146105.db2.gz HJEVSRMHKGBRKQ-CQSZACIVSA-N 0 0 427.517 2.899 50 0 IFAARN CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C ZINC000013567095 526167419 /nfs/dbraw/zinc/16/74/19/526167419.db2.gz BZHALDSLZJOHSF-UHFFFAOYSA-N 0 0 436.555 2.755 50 0 IFAARN Cc1ccc2c(c1)N=C(CCC(=O)N[C@H](C)c1ccc3c(c1)OCCO3)NS2(=O)=O ZINC000021661348 526170789 /nfs/dbraw/zinc/17/07/89/526170789.db2.gz RHURJODBHXFRPU-CQSZACIVSA-N 0 0 429.498 2.746 50 0 IFAARN Cc1ccc2c(c1)NC(CCC(=O)N1CCN(c3ccccc3F)CC1)=NS2(=O)=O ZINC000021880496 526172325 /nfs/dbraw/zinc/17/23/25/526172325.db2.gz UWNANHLRYNKNKW-UHFFFAOYSA-N 0 0 430.505 2.776 50 0 IFAARN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012913395 526177643 /nfs/dbraw/zinc/17/76/43/526177643.db2.gz CIGXYNNYNKCELN-CQSZACIVSA-N 0 0 432.933 2.644 50 0 IFAARN Cc1cc(C(=O)CN2CCN(S(C)(=O)=O)CC2)c(C)n1CCc1ccc(Cl)cc1 ZINC000024508201 526207992 /nfs/dbraw/zinc/20/79/92/526207992.db2.gz ZZUSJDVYMULFGL-UHFFFAOYSA-N 0 0 437.993 2.761 50 0 IFAARN Cc1cc(C(=O)COC(=O)CCc2c(C)nc3ncnn3c2C)c(C)n1-c1nccs1 ZINC000021476728 526209535 /nfs/dbraw/zinc/20/95/35/526209535.db2.gz FKYBIDCWTOJXKN-UHFFFAOYSA-N 0 0 438.513 2.964 50 0 IFAARN CSc1nc(C)c(CCC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c(=O)[nH]1 ZINC000022392845 526211858 /nfs/dbraw/zinc/21/18/58/526211858.db2.gz QLLKKCDZPVRXES-UHFFFAOYSA-N 0 0 428.558 2.675 50 0 IFAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCCN3CCc4ccccc4C3)ccc2S1 ZINC000015730957 526216995 /nfs/dbraw/zinc/21/69/95/526216995.db2.gz FCEHDWLLBKAIHF-HNNXBMFYSA-N 0 0 431.583 2.846 50 0 IFAARN Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)cn1 ZINC000012522204 526218924 /nfs/dbraw/zinc/21/89/24/526218924.db2.gz KUUOYVSCVQNYRC-UHFFFAOYSA-N 0 0 432.546 2.731 50 0 IFAARN Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1NS(C)(=O)=O ZINC000012520982 526228626 /nfs/dbraw/zinc/22/86/26/526228626.db2.gz AIPPYGIEJPYGMP-ZIAGYGMSSA-N 0 0 438.575 2.685 50 0 IFAARN C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)C2=O ZINC000023674659 526260041 /nfs/dbraw/zinc/26/00/41/526260041.db2.gz BMPBHAKRMSTRSE-NPMXOYFQSA-N 0 0 442.516 2.524 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022780849 526261678 /nfs/dbraw/zinc/26/16/78/526261678.db2.gz NDJSQJYOFFRUPK-DLBZAZTESA-N 0 0 429.590 2.818 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012805887 526261780 /nfs/dbraw/zinc/26/17/80/526261780.db2.gz AFCVYTWXTSVZND-WMLDXEAASA-N 0 0 448.416 2.995 50 0 IFAARN C[C@H]1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)C1 ZINC000012582018 526264607 /nfs/dbraw/zinc/26/46/07/526264607.db2.gz NPYWZADGWAKZKB-KRWDZBQOSA-N 0 0 432.590 2.939 50 0 IFAARN Cc1nn(CCC(=O)Nc2ccc(C)cc2Cl)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029848 526277638 /nfs/dbraw/zinc/27/76/38/526277638.db2.gz KRBATYXWGVZWMM-UHFFFAOYSA-N 0 0 440.953 2.511 50 0 IFAARN O=C(C1CC1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@H]1CCCO1)C1CC1 ZINC000036031058 526283170 /nfs/dbraw/zinc/28/31/70/526283170.db2.gz ZVUOEBCDUNRLPO-OAQYLSRUSA-N 0 0 443.569 2.937 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)CC1)N1CCCC1 ZINC000035558071 526304681 /nfs/dbraw/zinc/30/46/81/526304681.db2.gz CENSHJJCCKBPQU-UHFFFAOYSA-N 0 0 436.559 2.699 50 0 IFAARN Cc1csc(=O)n1CC(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000009253903 526306143 /nfs/dbraw/zinc/30/61/43/526306143.db2.gz JVBIUHGGVGHDMG-UHFFFAOYSA-N 0 0 428.514 2.883 50 0 IFAARN Cc1csc(CN2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)n1 ZINC000021687295 526343969 /nfs/dbraw/zinc/34/39/69/526343969.db2.gz PQPOFKCJDKSMEC-UHFFFAOYSA-N 0 0 448.614 2.584 50 0 IFAARN O=C(CC1CCCC1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)C1 ZINC000021178142 526354271 /nfs/dbraw/zinc/35/42/71/526354271.db2.gz BXMJLTGKNLMGAJ-QGZVFWFLSA-N 0 0 438.507 2.988 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC000012422804 526367188 /nfs/dbraw/zinc/36/71/88/526367188.db2.gz ZJEVSIAIPDBYGH-UHFFFAOYSA-N 0 0 437.565 2.717 50 0 IFAARN O=C(CCC(=O)N1CCCCCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000035399167 526378608 /nfs/dbraw/zinc/37/86/08/526378608.db2.gz NFVSAISVPUFDNM-UHFFFAOYSA-N 0 0 447.601 2.933 50 0 IFAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc2c(c1)CCC2 ZINC000018822322 526380062 /nfs/dbraw/zinc/38/00/62/526380062.db2.gz LARGUFJNDXLRAX-UHFFFAOYSA-N 0 0 432.567 2.733 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000020901347 526404181 /nfs/dbraw/zinc/40/41/81/526404181.db2.gz HSCCHXGDZOKWQE-OAHLLOKOSA-N 0 0 433.965 2.894 50 0 IFAARN O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000013121155 526422972 /nfs/dbraw/zinc/42/29/72/526422972.db2.gz QOXZJZFYESJGAT-UHFFFAOYSA-N 0 0 444.553 2.608 50 0 IFAARN O=C(OCc1ccccc1)C1=C[C@@]2(CC(=O)N(c3ccc(Br)cc3)C2=O)NN1 ZINC000012376509 526426882 /nfs/dbraw/zinc/42/68/82/526426882.db2.gz SLRQMCICRXEZAA-FQEVSTJZSA-N 0 0 442.269 2.544 50 0 IFAARN O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCOCC2)nc1 ZINC000021589524 526434453 /nfs/dbraw/zinc/43/44/53/526434453.db2.gz VNVINHUGIQUYQB-UHFFFAOYSA-N 0 0 426.561 2.970 50 0 IFAARN O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)NCc1ccc(Cl)cc1 ZINC000021887887 526442871 /nfs/dbraw/zinc/44/28/71/526442871.db2.gz LUUQQKHINRPXSB-UHFFFAOYSA-N 0 0 449.960 2.990 50 0 IFAARN O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000040105173 526442990 /nfs/dbraw/zinc/44/29/90/526442990.db2.gz JGHICULFFFGHIK-UHFFFAOYSA-N 0 0 435.509 2.755 50 0 IFAARN Cc1csc2nc(CSc3nc(-c4ccccc4F)nc4cc(=O)[nH]n43)cc(=O)n12 ZINC000021537224 526456327 /nfs/dbraw/zinc/45/63/27/526456327.db2.gz VPTZLWZZFBXNHZ-UHFFFAOYSA-N 0 0 440.485 2.894 50 0 IFAARN O=C(NCCc1nc2ccccc2[nH]1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000012627343 526461490 /nfs/dbraw/zinc/46/14/90/526461490.db2.gz RDYPPWVQKHLBDF-UHFFFAOYSA-N 0 0 432.933 2.973 50 0 IFAARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000020486022 526492380 /nfs/dbraw/zinc/49/23/80/526492380.db2.gz VJUMNEAVGOZUAQ-FQEVSTJZSA-N 0 0 430.464 2.669 50 0 IFAARN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000012767449 526503418 /nfs/dbraw/zinc/50/34/18/526503418.db2.gz XBWAKYVDCUDIBV-UHFFFAOYSA-N 0 0 430.346 2.913 50 0 IFAARN O=C(CCNC(=O)c1ccccc1Cl)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000012847654 526505808 /nfs/dbraw/zinc/50/58/08/526505808.db2.gz DXEYQBZYCFYQOP-FQEVSTJZSA-N 0 0 433.911 2.789 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)N[C@H]1CCCc2ccccc21 ZINC000020578880 526511860 /nfs/dbraw/zinc/51/18/60/526511860.db2.gz AUMQERJZFJKFSW-NRFANRHFSA-N 0 0 441.553 2.824 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012865869 526512908 /nfs/dbraw/zinc/51/29/08/526512908.db2.gz WWVDTXSLRAUTID-UHFFFAOYSA-N 0 0 441.475 2.723 50 0 IFAARN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000009665983 526521264 /nfs/dbraw/zinc/52/12/64/526521264.db2.gz QGLRYZCLEGJQHQ-AWEZNQCLSA-N 0 0 443.525 2.938 50 0 IFAARN O=C(CCS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)NCCc1ccc(Cl)cc1 ZINC000020583596 526536393 /nfs/dbraw/zinc/53/63/93/526536393.db2.gz QRXQENAMHCQCLH-UHFFFAOYSA-N 0 0 446.956 2.698 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000012748614 526537238 /nfs/dbraw/zinc/53/72/38/526537238.db2.gz IEJADDNGOKBTTH-UHFFFAOYSA-N 0 0 434.823 2.676 50 0 IFAARN O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCN1CCOCC1 ZINC000012844395 526545397 /nfs/dbraw/zinc/54/53/97/526545397.db2.gz SVVYPWNDRVWYNE-UHFFFAOYSA-N 0 0 430.452 2.686 50 0 IFAARN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012808684 526558651 /nfs/dbraw/zinc/55/86/51/526558651.db2.gz UUTPAKPWISDPIA-OAHLLOKOSA-N 0 0 438.908 2.563 50 0 IFAARN Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2cccc(S(N)(=O)=O)c2)cs1 ZINC000017524560 526580559 /nfs/dbraw/zinc/58/05/59/526580559.db2.gz SONTWWPEUDCZDC-UHFFFAOYSA-N 0 0 428.539 2.767 50 0 IFAARN O=C(NC[C@H](c1ccsc1)N1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000022766605 526582445 /nfs/dbraw/zinc/58/24/45/526582445.db2.gz KGPQCWPCSTVESW-MRXNPFEDSA-N 0 0 427.448 2.895 50 0 IFAARN O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012559469 526583232 /nfs/dbraw/zinc/58/32/32/526583232.db2.gz KJJITSFYSNUTLN-UHFFFAOYSA-N 0 0 432.452 2.502 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)c2)no1 ZINC000035557835 526622835 /nfs/dbraw/zinc/62/28/35/526622835.db2.gz AUBTXUNSZCARKA-UHFFFAOYSA-N 0 0 438.575 2.956 50 0 IFAARN O=C(NCc1ccc(-n2cccn2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000040105158 526648594 /nfs/dbraw/zinc/64/85/94/526648594.db2.gz XZVBOEIIIGIFFR-GOSISDBHSA-N 0 0 442.516 2.729 50 0 IFAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012785978 526657887 /nfs/dbraw/zinc/65/78/87/526657887.db2.gz NSVSPSJMHOCJQJ-UHFFFAOYSA-N 0 0 425.510 2.807 50 0 IFAARN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000012878539 526690776 /nfs/dbraw/zinc/69/07/76/526690776.db2.gz BZDPLFWLWRVKEF-UHFFFAOYSA-N 0 0 428.432 2.998 50 0 IFAARN O=C(NCc1ccc(OC(F)F)cc1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000012927034 526691116 /nfs/dbraw/zinc/69/11/16/526691116.db2.gz DOHZNAFAUGKFBD-HNNXBMFYSA-N 0 0 449.479 2.765 50 0 IFAARN O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1ccccc1 ZINC000021031604 526707533 /nfs/dbraw/zinc/70/75/33/526707533.db2.gz PUKCHHCLFXIOGV-UHFFFAOYSA-N 0 0 427.526 2.779 50 0 IFAARN O=C(CN1C(=O)CCc2cc(Br)ccc21)NCCc1nc2ccccc2[nH]1 ZINC000015785414 526707588 /nfs/dbraw/zinc/70/75/88/526707588.db2.gz VNBACJRTUWKTCV-UHFFFAOYSA-N 0 0 427.302 2.964 50 0 IFAARN O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1cccc(I)c1 ZINC000012925953 526707719 /nfs/dbraw/zinc/70/77/19/526707719.db2.gz BHGWUPLCVWYORQ-UHFFFAOYSA-N 0 0 426.254 2.939 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccco1)Cc1cccnc1 ZINC000012537390 526710607 /nfs/dbraw/zinc/71/06/07/526710607.db2.gz UIKLOIJYASHRAN-UHFFFAOYSA-N 0 0 441.509 2.538 50 0 IFAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021329547 526712968 /nfs/dbraw/zinc/71/29/68/526712968.db2.gz WZCCGBGUVOKRAO-UHFFFAOYSA-N 0 0 446.551 2.785 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)NCCn1c2ncccc2nc1-c1ccc(F)cc1 ZINC000021151889 526719456 /nfs/dbraw/zinc/71/94/56/526719456.db2.gz UDUAWZSEKBRGID-UHFFFAOYSA-N 0 0 443.438 2.650 50 0 IFAARN O=C(NCc1cccc2ccccc21)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 ZINC000021150839 526727307 /nfs/dbraw/zinc/72/73/07/526727307.db2.gz UEDHNLYWFOOLJN-UHFFFAOYSA-N 0 0 445.502 2.982 50 0 IFAARN O=C(CN1CCC2(CC1)N=C(c1ccccc1)C(=O)N2)Nc1cccc(Br)c1 ZINC000035430822 526732176 /nfs/dbraw/zinc/73/21/76/526732176.db2.gz KMRWEWYRRXUXMP-UHFFFAOYSA-N 0 0 441.329 2.799 50 0 IFAARN O=C(CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O)NCCCc1ccccc1 ZINC000020996632 526743263 /nfs/dbraw/zinc/74/32/63/526743263.db2.gz HUAXRHFEGKCLRO-UHFFFAOYSA-N 0 0 435.977 2.842 50 0 IFAARN O=C(CN1CCCN(Cc2cccc(F)c2)S1(=O)=O)NCc1ccccc1Cl ZINC000035505284 526745363 /nfs/dbraw/zinc/74/53/63/526745363.db2.gz RYLSGZPLGAWVTK-UHFFFAOYSA-N 0 0 425.913 2.548 50 0 IFAARN O=C(c1cccc(Cl)c1)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1 ZINC000035376422 526758224 /nfs/dbraw/zinc/75/82/24/526758224.db2.gz AFGTYVGMNCIJDF-UHFFFAOYSA-N 0 0 443.906 2.955 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1)Nc1cccc(F)c1 ZINC000012816691 526765182 /nfs/dbraw/zinc/76/51/82/526765182.db2.gz XJYGZMOXQAGNBU-UHFFFAOYSA-N 0 0 440.397 2.558 50 0 IFAARN O=C(NCc1ccccn1)c1nn(CC2CC2)c2c1CN(C(=O)c1ccc(F)cc1)CC2 ZINC000014535266 526765348 /nfs/dbraw/zinc/76/53/48/526765348.db2.gz CYPUUDHOVJSWCT-UHFFFAOYSA-N 0 0 433.487 2.956 50 0 IFAARN O=C(CN1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1)NCc1ccccc1 ZINC000022819682 526769594 /nfs/dbraw/zinc/76/95/94/526769594.db2.gz WAKWRXLGXOUKCB-UHFFFAOYSA-N 0 0 435.355 2.866 50 0 IFAARN O=C(CN1CCN(Cc2ccccc2F)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000022791660 526775943 /nfs/dbraw/zinc/77/59/43/526775943.db2.gz KYHYUGRJGJYOBV-UHFFFAOYSA-N 0 0 428.899 2.816 50 0 IFAARN O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000022921607 526777362 /nfs/dbraw/zinc/77/73/62/526777362.db2.gz MFOSUWNMOOVZSZ-UHFFFAOYSA-N 0 0 449.580 2.945 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000035392933 526779894 /nfs/dbraw/zinc/77/98/94/526779894.db2.gz RGGBLOJLAMJKIK-UHFFFAOYSA-N 0 0 428.341 2.938 50 0 IFAARN O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000022793838 526780839 /nfs/dbraw/zinc/78/08/39/526780839.db2.gz XAWBQPPAHVUTEA-GOSISDBHSA-N 0 0 445.610 2.581 50 0 IFAARN O=C(CN1CCN(c2ccccc2O)CC1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000012555002 526781832 /nfs/dbraw/zinc/78/18/32/526781832.db2.gz NNAMWBKUYATISU-UHFFFAOYSA-N 0 0 446.954 2.651 50 0 IFAARN O=C(CN1CCN(c2ccccc2O)CC1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000022240698 526784120 /nfs/dbraw/zinc/78/41/20/526784120.db2.gz KTWVRYJILTXIFX-IBGZPJMESA-N 0 0 448.445 2.821 50 0 IFAARN O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000012537149 526819489 /nfs/dbraw/zinc/81/94/89/526819489.db2.gz AGIKBWMRPPDKJT-LJQANCHMSA-N 0 0 449.429 2.770 50 0 IFAARN O=C(CN1Cc2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000020531541 526821346 /nfs/dbraw/zinc/82/13/46/526821346.db2.gz LOMSLZZQJHZQMG-UHFFFAOYSA-N 0 0 427.526 2.846 50 0 IFAARN O=C(CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O)Nc1cccnc1 ZINC000035445780 526825363 /nfs/dbraw/zinc/82/53/63/526825363.db2.gz PKZZCFHTCNTFAE-FQEVSTJZSA-N 0 0 433.512 2.662 50 0 IFAARN O=C(CN1c2cc(-c3ccc(Cl)cc3)nn2CCC1=O)NCc1ccc2c(c1)OCO2 ZINC000035477963 526825490 /nfs/dbraw/zinc/82/54/90/526825490.db2.gz TZUBMPUBLIMQRO-UHFFFAOYSA-N 0 0 438.871 2.985 50 0 IFAARN O=C(CN1c2ccccc2-n2cccc2SCC1=O)N1CCN(c2ccccn2)CC1 ZINC000021088573 526825888 /nfs/dbraw/zinc/82/58/88/526825888.db2.gz BHJVQRLNNNPFIH-UHFFFAOYSA-N 0 0 433.537 2.660 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1 ZINC000023143070 526829840 /nfs/dbraw/zinc/82/98/40/526829840.db2.gz IBIGVRNTACOWGN-UHFFFAOYSA-N 0 0 445.523 2.938 50 0 IFAARN O=C(CNC(=O)C1CCN(C(=O)c2cccs2)CC1)Nc1ccc(F)c(F)c1F ZINC000018049804 526831501 /nfs/dbraw/zinc/83/15/01/526831501.db2.gz DVCXQHMXZPKRNW-UHFFFAOYSA-N 0 0 425.432 2.773 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)o1)Nc1nc(CN2CCCCC2)cs1 ZINC000022290094 526855462 /nfs/dbraw/zinc/85/54/62/526855462.db2.gz JFMHYIKUJNWZPC-UHFFFAOYSA-N 0 0 427.324 2.853 50 0 IFAARN NC(=O)C1CCN(C(=O)[C@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1 ZINC000012313843 526856487 /nfs/dbraw/zinc/85/64/87/526856487.db2.gz XVLQOWFCFXLDIY-IBGZPJMESA-N 0 0 433.556 2.573 50 0 IFAARN O=C(CNC(=O)c1ccc2ccccc2c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023867099 526859321 /nfs/dbraw/zinc/85/93/21/526859321.db2.gz HDZJOLDRUGPJPU-UHFFFAOYSA-N 0 0 429.520 2.849 50 0 IFAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)NC2CC2)CC1 ZINC000035553977 526864876 /nfs/dbraw/zinc/86/48/76/526864876.db2.gz JUTOFWIVFLUEEZ-UHFFFAOYSA-N 0 0 438.575 2.909 50 0 IFAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000013126607 526876273 /nfs/dbraw/zinc/87/62/73/526876273.db2.gz STQROZLHZPJWHA-AWEZNQCLSA-N 0 0 440.550 2.741 50 0 IFAARN Cc1sc(NC(=O)C2CC2)c(C(=O)O[C@H](C)C(=O)Nc2ncnc3[nH]cnc32)c1C ZINC000022187762 526879672 /nfs/dbraw/zinc/87/96/72/526879672.db2.gz NDYJBDOKYMQVQF-SECBINFHSA-N 0 0 428.474 2.564 50 0 IFAARN Cc1sc2nc(CN3CCC(C)CC3)nc(NCCCNS(C)(=O)=O)c2c1C ZINC000036730611 526890638 /nfs/dbraw/zinc/89/06/38/526890638.db2.gz ALEYEODMPYSMNU-UHFFFAOYSA-N 0 0 425.624 2.891 50 0 IFAARN O=C(CNc1ccc(-n2cncn2)cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012545423 526893239 /nfs/dbraw/zinc/89/32/39/526893239.db2.gz HPOHAYSDPFNUIV-UHFFFAOYSA-N 0 0 428.378 2.917 50 0 IFAARN O=C(CNc1cccc(-c2nnnn2C2CC2)c1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012521649 526896214 /nfs/dbraw/zinc/89/62/14/526896214.db2.gz OOCCSANHECQMIA-UHFFFAOYSA-N 0 0 435.879 2.960 50 0 IFAARN Cc1nc(Cc2nnc(SCC(=O)N3CCN(C(=O)c4cccs4)CC3)o2)cs1 ZINC000009253239 526928578 /nfs/dbraw/zinc/92/85/78/526928578.db2.gz PJRXPUWHDJYNCQ-UHFFFAOYSA-N 0 0 449.583 2.564 50 0 IFAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N1CCN(CCO)CC1 ZINC000020650109 526946115 /nfs/dbraw/zinc/94/61/15/526946115.db2.gz LJRWHIKVPWPAKW-UHFFFAOYSA-N 0 0 442.899 2.629 50 0 IFAARN O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012918385 526946488 /nfs/dbraw/zinc/94/64/88/526946488.db2.gz RYBDMYQQJIFORC-GOSISDBHSA-N 0 0 436.530 2.814 50 0 IFAARN O=C(COc1ccccc1-c1ccccc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000012587401 526987484 /nfs/dbraw/zinc/98/74/84/526987484.db2.gz NXPAWZSHJSIIPA-PMACEKPBSA-N 0 0 429.538 2.927 50 0 IFAARN Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cn1C ZINC000033026865 527009047 /nfs/dbraw/zinc/00/90/47/527009047.db2.gz DJOHLXYWZYPASU-UHFFFAOYSA-N 0 0 430.452 2.787 50 0 IFAARN NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000012687708 527015028 /nfs/dbraw/zinc/01/50/28/527015028.db2.gz QJBHXAYSZSZUJK-CQSZACIVSA-N 0 0 429.723 2.703 50 0 IFAARN NC(=O)c1c(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)sc2c1CCCC2 ZINC000021548697 527019911 /nfs/dbraw/zinc/01/99/11/527019911.db2.gz IJKIZZLQXXKHTQ-RMKNXTFCSA-N 0 0 438.597 2.995 50 0 IFAARN Cn1c(=O)c(C(=O)COc2cc(Cl)ccc2Cl)c(N)n(Cc2ccccc2)c1=O ZINC000012796533 527023736 /nfs/dbraw/zinc/02/37/36/527023736.db2.gz SSCVOSCWQPEIJR-UHFFFAOYSA-N 0 0 434.279 2.746 50 0 IFAARN Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccccc1 ZINC000020193794 527052474 /nfs/dbraw/zinc/05/24/74/527052474.db2.gz LNYKBMLTQLMOHG-UHFFFAOYSA-N 0 0 449.533 2.651 50 0 IFAARN O=C1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N=C1c1ccccc1 ZINC000035432718 527059611 /nfs/dbraw/zinc/05/96/11/527059611.db2.gz XRVDMMGPHKWDNT-UHFFFAOYSA-N 0 0 437.443 2.805 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NC(=O)NC1CCCCC1 ZINC000012622664 527062081 /nfs/dbraw/zinc/06/20/81/527062081.db2.gz LPTYTXGROAWSET-INIZCTEOSA-N 0 0 444.557 2.826 50 0 IFAARN Cn1c(SCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)nnc1C(F)(F)F ZINC000018975576 527080841 /nfs/dbraw/zinc/08/08/41/527080841.db2.gz SKFSKULEYCMRFO-UHFFFAOYSA-N 0 0 439.916 2.985 50 0 IFAARN O=C(CSc1nnc(Cn2nc(-c3ccccc3)ccc2=O)o1)NCCc1ccccc1 ZINC000020604480 527085093 /nfs/dbraw/zinc/08/50/93/527085093.db2.gz XZQSRWZTPBKUNX-UHFFFAOYSA-N 0 0 447.520 2.793 50 0 IFAARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000012930712 527085485 /nfs/dbraw/zinc/08/54/85/527085485.db2.gz VQGLXRVLGSFPHY-ZUOKHONESA-N 0 0 437.279 2.963 50 0 IFAARN O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000012632956 527085901 /nfs/dbraw/zinc/08/59/01/527085901.db2.gz ICOJLVRALOFUHT-UHFFFAOYSA-N 0 0 449.536 2.964 50 0 IFAARN O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000012930723 527087274 /nfs/dbraw/zinc/08/72/74/527087274.db2.gz VQGLXRVLGSFPHY-XCLFUZPHSA-N 0 0 437.279 2.963 50 0 IFAARN O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1cccnc1 ZINC000012374794 527087356 /nfs/dbraw/zinc/08/73/56/527087356.db2.gz HTJCLEVCLFPZGN-HNNXBMFYSA-N 0 0 448.279 2.725 50 0 IFAARN O=C(CSc1nnc2n1CCCCC2)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000012677119 527090519 /nfs/dbraw/zinc/09/05/19/527090519.db2.gz OCGWGPCTLWBEPD-UHFFFAOYSA-N 0 0 437.323 2.667 50 0 IFAARN Cn1c2ccc(S(=O)(=O)N(Cc3ccco3)C(=O)C3CCCCC3)cc2n(C)c1=O ZINC000012293338 527103775 /nfs/dbraw/zinc/10/37/75/527103775.db2.gz DBLMQFSVRXFYBE-UHFFFAOYSA-N 0 0 431.514 2.768 50 0 IFAARN Cn1c2cn(Cc3ccccn3)c(-c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000012428132 527119011 /nfs/dbraw/zinc/11/90/11/527119011.db2.gz AHMKWCIENLGPLM-UHFFFAOYSA-N 0 0 425.286 2.912 50 0 IFAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000012553722 527121228 /nfs/dbraw/zinc/12/12/28/527121228.db2.gz PVISTPSAJDARFZ-UHFFFAOYSA-N 0 0 431.464 2.968 50 0 IFAARN Cn1c2nc(Oc3ccc(C=O)cc3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000001409270 527123343 /nfs/dbraw/zinc/12/33/43/527123343.db2.gz OJYNRPJVHDNOCP-UHFFFAOYSA-N 0 0 442.834 2.879 50 0 IFAARN Cn1c2ncn(Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000012776041 527125956 /nfs/dbraw/zinc/12/59/56/527125956.db2.gz IXODYXUZZNPWHT-UHFFFAOYSA-N 0 0 434.887 2.533 50 0 IFAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc2c(c1)OCO2 ZINC000012233179 527136377 /nfs/dbraw/zinc/13/63/77/527136377.db2.gz JEJBJHLNYHTPNF-OAHLLOKOSA-N 0 0 447.476 2.987 50 0 IFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)Nc1ccccc1F ZINC000020935798 527137038 /nfs/dbraw/zinc/13/70/38/527137038.db2.gz BKPAYUAYBOUMEE-UHFFFAOYSA-N 0 0 429.404 2.957 50 0 IFAARN O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)NC2CCCCCC2)cc1 ZINC000020558057 527137069 /nfs/dbraw/zinc/13/70/69/527137069.db2.gz PCBRUQQISRTXTQ-UHFFFAOYSA-N 0 0 427.526 2.921 50 0 IFAARN Cn1cc(/C=C/C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cn1 ZINC000020775526 527142509 /nfs/dbraw/zinc/14/25/09/527142509.db2.gz HJRCZXCKCCVNRX-XDQZKXAQSA-N 0 0 449.599 2.797 50 0 IFAARN Cn1cc(/C=C/C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c(=O)n(C)c1=O ZINC000012824282 527143650 /nfs/dbraw/zinc/14/36/50/527143650.db2.gz NBCUKBLEXUXEGU-TWARPNBYSA-N 0 0 427.504 2.511 50 0 IFAARN O=C(C[C@@]1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O)N1CCC[C@@H](CO)C1 ZINC000012245766 527147429 /nfs/dbraw/zinc/14/74/29/527147429.db2.gz ZGHMUISCBYQPBB-NLFFAJNJSA-N 0 0 426.557 2.885 50 0 IFAARN O=C(C[C@@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)N1CCCC[C@H]1CO ZINC000011964332 527147844 /nfs/dbraw/zinc/14/78/44/527147844.db2.gz STAHAKFEWOPUFQ-MBSDFSHPSA-N 0 0 426.538 2.709 50 0 IFAARN O=C(C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc2c(c1)OCCO2 ZINC000020745475 527153637 /nfs/dbraw/zinc/15/36/37/527153637.db2.gz WSYFVLUWVGWBDJ-AWEZNQCLSA-N 0 0 425.832 2.892 50 0 IFAARN Cn1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000012798874 527173492 /nfs/dbraw/zinc/17/34/92/527173492.db2.gz UOECQZQPRWDCFH-UHFFFAOYSA-N 0 0 427.482 2.904 50 0 IFAARN O=C(C[C@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O)N1CCCCC1 ZINC000012247062 527188649 /nfs/dbraw/zinc/18/86/49/527188649.db2.gz DSSPACRTGMQQLC-RUZDIDTESA-N 0 0 435.524 2.950 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1cccc(-n2cnnn2)c1C ZINC000012791945 527199472 /nfs/dbraw/zinc/19/94/72/527199472.db2.gz FGGUVAOFLFJHHT-UHFFFAOYSA-N 0 0 445.409 2.615 50 0 IFAARN O=S(=O)(N1CCCC1)N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000012771656 527202811 /nfs/dbraw/zinc/20/28/11/527202811.db2.gz BSTKVJUOKOQSDT-UHFFFAOYSA-N 0 0 447.561 2.960 50 0 IFAARN O=S(=O)(N1CCCC1)N1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000012764583 527203409 /nfs/dbraw/zinc/20/34/09/527203409.db2.gz PSXJRYRIWJHEHT-UHFFFAOYSA-N 0 0 429.571 2.821 50 0 IFAARN O=C(Cc1c[nH]c2ccccc12)NCCNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000020737031 527203538 /nfs/dbraw/zinc/20/35/38/527203538.db2.gz VFTPEYFHIYEPED-INIZCTEOSA-N 0 0 438.915 2.649 50 0 IFAARN O=S(=O)(c1ccc(-c2noc(COc3ccc(Cl)cc3)n2)cc1)N1CCOCC1 ZINC000021886599 527268588 /nfs/dbraw/zinc/26/85/88/527268588.db2.gz YLXYLQDTXZUTFU-UHFFFAOYSA-N 0 0 435.889 2.990 50 0 IFAARN O=S(=O)(c1ccc(Br)s1)N1CCN(Cn2cnc3ccccc32)CC1 ZINC000012520054 527270333 /nfs/dbraw/zinc/27/03/33/527270333.db2.gz QLHVZZIVTMQMRO-UHFFFAOYSA-N 0 0 441.376 2.824 50 0 IFAARN O=C(Cc1ccccc1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000035509615 527278893 /nfs/dbraw/zinc/27/88/93/527278893.db2.gz UAXUOBLNIFLYRS-UHFFFAOYSA-N 0 0 445.548 2.705 50 0 IFAARN O=S1(=O)CC[C@H](Cc2nnc(SCCOc3cccc(Br)c3)o2)C1 ZINC000021624200 527311634 /nfs/dbraw/zinc/31/16/34/527311634.db2.gz SQUKDVNHCZEELB-LLVKDONJSA-N 0 0 433.349 2.980 50 0 IFAARN O=C(Cc1csc(N2CCCC2=O)n1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023909349 527337215 /nfs/dbraw/zinc/33/72/15/527337215.db2.gz FDGFZNJFZWXSDR-UHFFFAOYSA-N 0 0 441.582 2.767 50 0 IFAARN O=C(Nc1cccc(F)c1)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1 ZINC000035451906 527349557 /nfs/dbraw/zinc/34/95/57/527349557.db2.gz PBLAXLDTHIMOFG-UHFFFAOYSA-N 0 0 442.466 2.832 50 0 IFAARN O=C(Cn1c(=O)c2cnn(-c3ccccc3)c2nc1C1CC1)Nc1ccc2c(c1)OCCO2 ZINC000012441664 527351582 /nfs/dbraw/zinc/35/15/82/527351582.db2.gz NAXNNUSICYVLFM-UHFFFAOYSA-N 0 0 443.463 2.870 50 0 IFAARN O=C(Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21)NC[C@@H]1CCCO1 ZINC000035371889 527359224 /nfs/dbraw/zinc/35/92/24/527359224.db2.gz RPVGLHBJVKPBKN-SFHVURJKSA-N 0 0 434.471 2.834 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)NCc1ccc(Cl)cc1 ZINC000035506025 527392143 /nfs/dbraw/zinc/39/21/43/527392143.db2.gz VXICKUWLUZNQAP-UHFFFAOYSA-N 0 0 436.855 2.862 50 0 IFAARN O=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020991767 527397404 /nfs/dbraw/zinc/39/74/04/527397404.db2.gz LRAWJHZJCZOLLT-UHFFFAOYSA-N 0 0 436.843 2.979 50 0 IFAARN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 ZINC000012390218 527411822 /nfs/dbraw/zinc/41/18/22/527411822.db2.gz PNSIDDPENYMVMV-NSHDSACASA-N 0 0 435.406 2.844 50 0 IFAARN Cn1ccnc1SCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012525157 527448215 /nfs/dbraw/zinc/44/82/15/527448215.db2.gz HWHMJBIRKOSSAJ-UHFFFAOYSA-N 0 0 428.967 2.979 50 0 IFAARN O=c1c2c3c(sc2n(CCN2CCOCC2)c(=O)n1-c1ccc(F)cc1)CCCCC3 ZINC000020533463 527458893 /nfs/dbraw/zinc/45/88/93/527458893.db2.gz FDPFHTDRIGYDGB-UHFFFAOYSA-N 0 0 443.544 2.954 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)cc1 ZINC000012507111 527462768 /nfs/dbraw/zinc/46/27/68/527462768.db2.gz JNCOANOQIMQYII-GOSISDBHSA-N 0 0 443.935 2.924 50 0 IFAARN O=c1c2sc3nc(N4CCOCC4)c4c(c3c2nnn1CCOc1ccccc1)CCC4 ZINC000020713931 527471247 /nfs/dbraw/zinc/47/12/47/527471247.db2.gz BQBQXIDIEMNAEN-UHFFFAOYSA-N 0 0 449.536 2.806 50 0 IFAARN O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c(Cl)c1 ZINC000012612648 527511702 /nfs/dbraw/zinc/51/17/02/527511702.db2.gz NDOVNPYYPSBWPA-UHFFFAOYSA-N 0 0 444.919 2.779 50 0 IFAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000012729479 527515848 /nfs/dbraw/zinc/51/58/48/527515848.db2.gz XZYNGUWINVDRAD-CYBMUJFWSA-N 0 0 434.905 2.926 50 0 IFAARN O=C(Nc1ncccc1O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000022265130 527522157 /nfs/dbraw/zinc/52/21/57/527522157.db2.gz CKXGWVDUUWUNFP-UHFFFAOYSA-N 0 0 427.438 2.612 50 0 IFAARN O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012814579 527534549 /nfs/dbraw/zinc/53/45/49/527534549.db2.gz SNLLXHQAJOQFSB-OAHLLOKOSA-N 0 0 436.493 2.892 50 0 IFAARN O=C(Nc1nnc(C2CCCCC2)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012786637 527534719 /nfs/dbraw/zinc/53/47/19/527534719.db2.gz PQTNMMSEXXPIGA-UHFFFAOYSA-N 0 0 436.559 2.859 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000022599993 527537974 /nfs/dbraw/zinc/53/79/74/527537974.db2.gz IWJGGZLVYLLQHN-UHFFFAOYSA-N 0 0 431.540 2.563 50 0 IFAARN Nc1nc(COC(=O)c2ccc(CN3CCCC3=O)cc2)nc(Nc2ccc(F)cc2)n1 ZINC000012810357 527552301 /nfs/dbraw/zinc/55/23/01/527552301.db2.gz OAMDMMJLNYSOLD-UHFFFAOYSA-N 0 0 436.447 2.816 50 0 IFAARN Nc1nc(SCC(=O)Nc2cccc(Cl)c2)[nH]c(=O)c1NC(=O)c1ccccc1 ZINC000012140414 527557778 /nfs/dbraw/zinc/55/77/78/527557778.db2.gz QONXENYXMDHRSB-UHFFFAOYSA-N 0 0 429.889 2.989 50 0 IFAARN Cn1ncc2c1ncn(CC(=O)N[C@@H](c1cccs1)c1ccc3c(c1)CCCC3)c2=O ZINC000021437371 527584882 /nfs/dbraw/zinc/58/48/82/527584882.db2.gz DACRMDPKPZAKAE-OAQYLSRUSA-N 0 0 433.537 2.976 50 0 IFAARN Cn1ncc2c1ncn(CC(=O)N(c1cc3c(cc1Cl)OCO3)C1CCCCC1)c2=O ZINC000089745541 527585657 /nfs/dbraw/zinc/58/56/57/527585657.db2.gz HSZVPWAVXIZIFG-UHFFFAOYSA-N 0 0 443.891 2.878 50 0 IFAARN Cn1nnnc1Sc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000022341935 527661086 /nfs/dbraw/zinc/66/10/86/527661086.db2.gz WPKFKZIWIINNHD-UHFFFAOYSA-N 0 0 431.572 2.927 50 0 IFAARN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCSC[C@H]12 ZINC000035907891 527672233 /nfs/dbraw/zinc/67/22/33/527672233.db2.gz MSFHIFDTGPGSFL-PKOBYXMFSA-N 0 0 443.535 2.638 50 0 IFAARN CC(C)Oc1ccc(C(=O)NCC(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 ZINC000010901247 534979594 /nfs/dbraw/zinc/97/95/94/534979594.db2.gz ZZUWDEJHSDFHEY-UHFFFAOYSA-N 0 0 425.529 2.699 50 0 IFAARN CCOc1ccc2ccccc2c1C(=O)N1CCN(c2ncnc3c2nnn3CC)CC1 ZINC000013533241 535441251 /nfs/dbraw/zinc/44/12/51/535441251.db2.gz FTECXUSSFDMZCI-UHFFFAOYSA-N 0 0 431.500 2.756 50 0 IFAARN CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)c2ccco2)n(C)c(=O)n3C)CC1 ZINC000009561417 535603911 /nfs/dbraw/zinc/60/39/11/535603911.db2.gz RVBSZMGDRSUFTD-UHFFFAOYSA-N 0 0 426.473 2.502 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OC)c2)c1 ZINC000009635099 535633034 /nfs/dbraw/zinc/63/30/34/535633034.db2.gz KDZISZFGWBFJAK-UHFFFAOYSA-N 0 0 447.557 2.815 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccco2)c1 ZINC000009632039 535634001 /nfs/dbraw/zinc/63/40/01/535634001.db2.gz HLHJUANOLRPDSK-JXMROGBWSA-N 0 0 433.530 2.799 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000009130950 535634771 /nfs/dbraw/zinc/63/47/71/535634771.db2.gz TWDRWVNQUICCKI-UHFFFAOYSA-N 0 0 446.573 2.604 50 0 IFAARN CCc1nnc(NC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)s1 ZINC000009211078 535852408 /nfs/dbraw/zinc/85/24/08/535852408.db2.gz MVFBCGJKHZMAJA-CYBMUJFWSA-N 0 0 426.550 2.822 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN(c2nc(C)c3ccc(OC)cc3n2)C1)C(=O)OC ZINC000011789039 535969708 /nfs/dbraw/zinc/96/97/08/535969708.db2.gz FMEOKMASXOQVMB-UVFQYZLESA-N 0 0 428.533 2.867 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nc3ccccc3s2)c1 ZINC000009353539 536112499 /nfs/dbraw/zinc/11/24/99/536112499.db2.gz NLGSYELPWOKPBJ-UHFFFAOYSA-N 0 0 446.554 2.636 50 0 IFAARN CN(C)[C@@H](CNC(=O)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1)c1ccco1 ZINC000009767931 536127040 /nfs/dbraw/zinc/12/70/40/536127040.db2.gz XURFDUIKGGOEQY-ZDUSSCGKSA-N 0 0 426.370 2.738 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CCSc2nc(Cl)nc3[nH]cnc32)CC1 ZINC000013549567 537064080 /nfs/dbraw/zinc/06/40/80/537064080.db2.gz HMEHPXJHTINNMH-UHFFFAOYSA-N 0 0 432.937 2.846 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000009783179 537064732 /nfs/dbraw/zinc/06/47/32/537064732.db2.gz HJOLHYWIQAKNDT-HXUWFJFHSA-N 0 0 437.540 2.952 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)CC2)c1 ZINC000009530870 537124055 /nfs/dbraw/zinc/12/40/55/537124055.db2.gz YZTQELAFWCQCMB-CQSZACIVSA-N 0 0 433.555 2.639 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)c1 ZINC000009680357 537124069 /nfs/dbraw/zinc/12/40/69/537124069.db2.gz IJPOMJAECMPERV-INIZCTEOSA-N 0 0 429.542 2.504 50 0 IFAARN NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)sc2c1CCC2 ZINC000009129161 555509686 /nfs/dbraw/zinc/50/96/86/555509686.db2.gz PEPTZDGTUVWRKF-FNORWQNLSA-N 0 0 439.287 2.886 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nccn1Cc1ccccc1)C2=O ZINC000009219502 555510744 /nfs/dbraw/zinc/51/07/44/555510744.db2.gz BLYKXNMSCFIBLE-UHFFFAOYSA-N 0 0 427.530 2.555 50 0 IFAARN CN(Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000000622527 555511062 /nfs/dbraw/zinc/51/10/62/555511062.db2.gz DDKWDZYKZQISSS-UHFFFAOYSA-N 0 0 437.931 2.767 50 0 IFAARN CCOC(=O)[C@@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000000627192 555513031 /nfs/dbraw/zinc/51/30/31/555513031.db2.gz NMQCIULWPUBWEM-CYBMUJFWSA-N 0 0 436.921 2.559 50 0 IFAARN COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Br)cc4)N4CCCN4[C@@H]3C2=O)cc1 ZINC000000637299 555517160 /nfs/dbraw/zinc/51/71/60/555517160.db2.gz OCXOEGZKKXKHMB-QYZOEREBSA-N 0 0 442.313 2.993 50 0 IFAARN CCOc1ccccc1[C@@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1S(C)(=O)=O ZINC000000645047 555520160 /nfs/dbraw/zinc/52/01/60/555520160.db2.gz FCFFTXRYNRPRTB-SFHVURJKSA-N 0 0 437.543 2.568 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1cccs1 ZINC000000687955 555541025 /nfs/dbraw/zinc/54/10/25/555541025.db2.gz SUIMLJWQUUJXNR-RXBGNRNISA-N 0 0 443.550 2.519 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000000724080 555550826 /nfs/dbraw/zinc/55/08/26/555550826.db2.gz WAAMUJQNJOUNNF-FJJYYWMZSA-N 0 0 428.897 2.963 50 0 IFAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NC1CCCC1 ZINC000000778636 555554519 /nfs/dbraw/zinc/55/45/19/555554519.db2.gz NHPCOYMGCBQXNP-UHFFFAOYSA-N 0 0 434.489 2.851 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000000782940 555555592 /nfs/dbraw/zinc/55/55/92/555555592.db2.gz FBVVXGSYDSOQOZ-UHFFFAOYSA-N 0 0 429.325 2.905 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl ZINC000000784332 555555739 /nfs/dbraw/zinc/55/57/39/555555739.db2.gz WXSNSXJYODVAPK-UHFFFAOYSA-N 0 0 426.878 2.525 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccccc1Cl ZINC000000784458 555556091 /nfs/dbraw/zinc/55/60/91/555556091.db2.gz BZMAJDAJEFDLLR-UHFFFAOYSA-N 0 0 435.933 2.981 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccccc2OC)cc1 ZINC000000785327 555556168 /nfs/dbraw/zinc/55/61/68/555556168.db2.gz LHJXNZFAMRALBC-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccco1 ZINC000000803385 555559618 /nfs/dbraw/zinc/55/96/18/555559618.db2.gz IMMOQPIYQCXICT-UHFFFAOYSA-N 0 0 428.466 2.563 50 0 IFAARN CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000000815643 555561831 /nfs/dbraw/zinc/56/18/31/555561831.db2.gz FKHWVQBEYPSTKX-IBGZPJMESA-N 0 0 445.541 2.991 50 0 IFAARN COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1cc2c(cc1Cl)OCO2 ZINC000000815806 555562129 /nfs/dbraw/zinc/56/21/29/555562129.db2.gz OUEVTCJJWGCRMB-GFCCVEGCSA-N 0 0 435.860 2.761 50 0 IFAARN COc1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1OC ZINC000000816942 555562869 /nfs/dbraw/zinc/56/28/69/555562869.db2.gz BBSIBYNOGZCSRW-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000000821418 555563889 /nfs/dbraw/zinc/56/38/89/555563889.db2.gz ZJOQLUIMBJOODZ-UHFFFAOYSA-N 0 0 427.320 2.707 50 0 IFAARN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000000824136 555564492 /nfs/dbraw/zinc/56/44/92/555564492.db2.gz TVGBIPXDYOHKPB-UHFFFAOYSA-N 0 0 439.331 2.503 50 0 IFAARN CC(=O)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000000842690 555568432 /nfs/dbraw/zinc/56/84/32/555568432.db2.gz WAJJSGVFZAAYKC-INIZCTEOSA-N 0 0 445.269 2.858 50 0 IFAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2cccnc2)cc1 ZINC000000857073 555571675 /nfs/dbraw/zinc/57/16/75/555571675.db2.gz JYRJICARWPGOFT-UHFFFAOYSA-N 0 0 439.537 2.640 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2ccccc2)cc1S(=O)(=O)NCc1ccccc1 ZINC000000866119 555573804 /nfs/dbraw/zinc/57/38/04/555573804.db2.gz CIUJGIUTKOQQHL-UHFFFAOYSA-N 0 0 446.550 2.652 50 0 IFAARN CCOc1ccccc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1 ZINC000000869383 555574568 /nfs/dbraw/zinc/57/45/68/555574568.db2.gz VBFUJYFPAMPSHR-UHFFFAOYSA-N 0 0 425.510 2.992 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)cc1OC ZINC000000880132 555577173 /nfs/dbraw/zinc/57/71/73/555577173.db2.gz LHNOACUSZZXWBV-UHFFFAOYSA-N 0 0 430.482 2.809 50 0 IFAARN O=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000000899521 555580885 /nfs/dbraw/zinc/58/08/85/555580885.db2.gz IHWCFKBMNAEZBJ-UHFFFAOYSA-N 0 0 430.551 2.676 50 0 IFAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(OC)cc2OC)c(OC)c1 ZINC000000909806 555582600 /nfs/dbraw/zinc/58/26/00/555582600.db2.gz KOOVUCALLPLQCU-FQEVSTJZSA-N 0 0 427.457 2.988 50 0 IFAARN COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1cc2c(cc1Br)OCO2 ZINC000000968783 555591184 /nfs/dbraw/zinc/59/11/84/555591184.db2.gz VOGAIFXIIKKEKH-UHFFFAOYSA-N 0 0 436.258 2.853 50 0 IFAARN CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(NC(=O)c2ccc(Cl)cc2)C1=S ZINC000000976061 555592332 /nfs/dbraw/zinc/59/23/32/555592332.db2.gz SMSNEMZOXJBRJJ-HNNXBMFYSA-N 0 0 434.880 2.580 50 0 IFAARN COc1ccccc1CC(=O)Nc1cccc(C(=O)NN2C(=O)c3ccccc3C2=O)c1 ZINC000001010573 555601663 /nfs/dbraw/zinc/60/16/63/555601663.db2.gz HJXSCZUODYACBF-UHFFFAOYSA-N 0 0 429.432 2.817 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3ccccc3Cl)C(=O)[C@]2(c2ccc(Cl)cc2)NN1 ZINC000001013496 555602217 /nfs/dbraw/zinc/60/22/17/555602217.db2.gz CMKCUMNBOZASHU-FOIQADDNSA-N 0 0 432.263 2.901 50 0 IFAARN Cn1c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2n(C)c1=O ZINC000001013110 555602311 /nfs/dbraw/zinc/60/23/11/555602311.db2.gz NKCLLQXWOWZHLX-LICLKQGHSA-N 0 0 440.456 2.691 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001070224 555620860 /nfs/dbraw/zinc/62/08/60/555620860.db2.gz VASFVOCIMRVALV-UHFFFAOYSA-N 0 0 444.481 2.720 50 0 IFAARN CCN(C[C@H]1CCCO1)C(=S)NC(=O)c1ccc(OC)c(I)c1 ZINC000001076338 555624233 /nfs/dbraw/zinc/62/42/33/555624233.db2.gz PQLDAXFLQTWNQN-GFCCVEGCSA-N 0 0 448.326 2.815 50 0 IFAARN Cn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000001076250 555624287 /nfs/dbraw/zinc/62/42/87/555624287.db2.gz DUSSQIOPOUGDQZ-UHFFFAOYSA-N 0 0 440.920 2.901 50 0 IFAARN CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3c(F)cccc3Cl)C2)c1 ZINC000001077201 555624575 /nfs/dbraw/zinc/62/45/75/555624575.db2.gz PAYROJSEWNYIAD-MRXNPFEDSA-N 0 0 445.925 2.961 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(I)cc1 ZINC000001112661 555632717 /nfs/dbraw/zinc/63/27/17/555632717.db2.gz SMSYVLFAZDQRKL-UHFFFAOYSA-N 0 0 448.257 2.835 50 0 IFAARN Cc1ccc(S(=O)(=O)c2nc(SCC(=O)N3CCOCC3)sc2Cl)cc1 ZINC000001118454 555635839 /nfs/dbraw/zinc/63/58/39/555635839.db2.gz BXULXMNRRLEOOL-UHFFFAOYSA-N 0 0 432.976 2.889 50 0 IFAARN Cc1ccc2c(c1)c1c(n2C[C@H](O)CN2C(=O)c3ccccc3S2(=O)=O)C(=O)CCC1 ZINC000001132641 555645474 /nfs/dbraw/zinc/64/54/74/555645474.db2.gz JFEFOYVYYQLBRW-HNNXBMFYSA-N 0 0 438.505 2.674 50 0 IFAARN CCNC(=O)C[C@H]1C(=O)N(Cc2ccccc2)C(=S)N1NC(=O)c1ccc(Cl)cc1 ZINC000001185732 555673931 /nfs/dbraw/zinc/67/39/31/555673931.db2.gz WPZMGBQHLYNYTR-KRWDZBQOSA-N 0 0 444.944 2.509 50 0 IFAARN NC(=O)C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1ccc(Cl)cc1 ZINC000001440068 555697331 /nfs/dbraw/zinc/69/73/31/555697331.db2.gz GRBNEEWJSVWWJR-CQSZACIVSA-N 0 0 437.308 2.516 50 0 IFAARN NC(=O)C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1ccc(Cl)cc1 ZINC000001440067 555697338 /nfs/dbraw/zinc/69/73/38/555697338.db2.gz GRBNEEWJSVWWJR-AWEZNQCLSA-N 0 0 437.308 2.516 50 0 IFAARN CN(C)c1cc(C(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc(N(C)C)n1 ZINC000001742606 555711815 /nfs/dbraw/zinc/71/18/15/555711815.db2.gz FMDZXKGCWLYECB-UHFFFAOYSA-N 0 0 438.576 2.504 50 0 IFAARN O=S1(=O)CC[C@@H](c2nnc(C3(c4cccc(Br)c4)CCOCC3)o2)C1 ZINC000071889886 555726976 /nfs/dbraw/zinc/72/69/76/555726976.db2.gz NEBHHTUHBCDLMI-GFCCVEGCSA-N 0 0 427.320 2.831 50 0 IFAARN COc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000002204653 555757703 /nfs/dbraw/zinc/75/77/03/555757703.db2.gz HNNRTIDAWRBQQD-MRXNPFEDSA-N 0 0 436.295 2.971 50 0 IFAARN Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(Cl)c1 ZINC000002221606 555759292 /nfs/dbraw/zinc/75/92/92/555759292.db2.gz IHMTXWNXRPHWRF-UHFFFAOYSA-N 0 0 437.934 2.514 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)NC(Nc3nc4ccccc4s3)=N2)cc1 ZINC000002259894 555763474 /nfs/dbraw/zinc/76/34/74/555763474.db2.gz RUXOKVRJTBEULL-HNNXBMFYSA-N 0 0 437.481 2.768 50 0 IFAARN CCOC(=O)N[C@](Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OCC)C(F)(F)F ZINC000002270317 555764133 /nfs/dbraw/zinc/76/41/33/555764133.db2.gz HNZGOVROJXXBJZ-MRXNPFEDSA-N 0 0 437.440 2.706 50 0 IFAARN CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@]12c1cccc3c1N(C2=O)C(C)(C)C=C3C ZINC000002404579 555776392 /nfs/dbraw/zinc/77/63/92/555776392.db2.gz MLFRVJMBCLJAQS-RUZDIDTESA-N 0 0 448.475 2.902 50 0 IFAARN Cn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000002409331 555776795 /nfs/dbraw/zinc/77/67/95/555776795.db2.gz JNIVUAWSDACSST-UHFFFAOYSA-N 0 0 428.539 2.704 50 0 IFAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nnc2-c2cnccn2)cc1 ZINC000002435965 555778801 /nfs/dbraw/zinc/77/88/01/555778801.db2.gz VOYOCBDGWCOCSF-UHFFFAOYSA-N 0 0 445.508 2.862 50 0 IFAARN O=C(CCNS(=O)(=O)c1cccc2nsnc21)Nc1ccc(Br)cc1 ZINC000002457756 555782888 /nfs/dbraw/zinc/78/28/88/555782888.db2.gz KXGZKMBXRZPPEX-UHFFFAOYSA-N 0 0 441.332 2.761 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc(I)cc2)cc1OC ZINC000002582345 555788664 /nfs/dbraw/zinc/78/86/64/555788664.db2.gz ZTWKSCVJXHJBSF-UHFFFAOYSA-N 0 0 447.294 2.829 50 0 IFAARN O=C(Cc1cccs1)Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 ZINC000034672045 555793517 /nfs/dbraw/zinc/79/35/17/555793517.db2.gz MAPNYIYQNRPXSX-UHFFFAOYSA-N 0 0 442.566 2.835 50 0 IFAARN Cc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCCN3CCOCC3)cc2)cc1 ZINC000034675416 555794110 /nfs/dbraw/zinc/79/41/10/555794110.db2.gz PEPSAIIODUJHFM-UHFFFAOYSA-N 0 0 435.568 2.929 50 0 IFAARN CN1CCN(c2nc3c(c(N4CCCC4)n2)CN(C(=O)c2ccc(Cl)cc2)CC3)CC1 ZINC000034676696 555794602 /nfs/dbraw/zinc/79/46/02/555794602.db2.gz XWXBZHPVFYTLEQ-UHFFFAOYSA-N 0 0 440.979 2.681 50 0 IFAARN CN(C)c1nc(N2CCN(C)CC2)nc2c1CN(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000034676896 555795086 /nfs/dbraw/zinc/79/50/86/555795086.db2.gz LBASUUDNRYQVAD-UHFFFAOYSA-N 0 0 429.956 2.538 50 0 IFAARN CCn1c(=O)c2c(ncn2CC(=O)c2cccc(OC)c2)n(-c2ccc(F)cc2F)c1=O ZINC000034693210 555806270 /nfs/dbraw/zinc/80/62/70/555806270.db2.gz FLOKBOPTLBMJHZ-UHFFFAOYSA-N 0 0 440.406 2.539 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2cccc(F)c2)n(-c2cccc(Cl)c2)c1=O ZINC000034693461 555806879 /nfs/dbraw/zinc/80/68/79/555806879.db2.gz DOTBVWFSCKCMMG-UHFFFAOYSA-N 0 0 428.851 2.836 50 0 IFAARN CCn1c(=O)c2c(ncn2CC(=O)c2ccc(Cl)cc2)n(-c2ccccc2OC)c1=O ZINC000034693565 555808028 /nfs/dbraw/zinc/80/80/28/555808028.db2.gz KVEVWPVMFYOWCT-UHFFFAOYSA-N 0 0 438.871 2.914 50 0 IFAARN O=c1c2c(ncn2Cc2cccc(F)c2)n(-c2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000034693669 555808334 /nfs/dbraw/zinc/80/83/34/555808334.db2.gz DSZNXKLIEJYWTQ-IBGZPJMESA-N 0 0 438.434 2.854 50 0 IFAARN O=c1c2c(ncn2Cc2c(F)cccc2F)n(-c2ccccc2)c(=O)n1C[C@H]1CCCO1 ZINC000034693950 555808521 /nfs/dbraw/zinc/80/85/21/555808521.db2.gz MQFHKWVIGKBXMC-MRXNPFEDSA-N 0 0 438.434 2.854 50 0 IFAARN COCc1nnc2c3ccccc3nc(N3CCN(C(=O)c4ccccc4OC)[C@H](C)C3)n12 ZINC000034706788 555821831 /nfs/dbraw/zinc/82/18/31/555821831.db2.gz KQVLQFSGHKMCJX-MRXNPFEDSA-N 0 0 446.511 2.783 50 0 IFAARN CCOc1cc(C2C(C(=O)OC)=CN(C)C=C2C(=O)OC)cc(Br)c1O ZINC000002797006 555822810 /nfs/dbraw/zinc/82/28/10/555822810.db2.gz RBSWICOLMQONHX-UHFFFAOYSA-N 0 0 426.263 2.696 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccc(Oc2ccccc2)cc1 ZINC000002813007 555827790 /nfs/dbraw/zinc/82/77/90/555827790.db2.gz GBTJHGIINQGLCR-UHFFFAOYSA-N 0 0 439.493 2.983 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 ZINC000002856718 555842001 /nfs/dbraw/zinc/84/20/01/555842001.db2.gz UUTWYCUISHHNIK-UHFFFAOYSA-N 0 0 441.303 2.640 50 0 IFAARN CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)NCCc1ccccc1 ZINC000002860629 555844172 /nfs/dbraw/zinc/84/41/72/555844172.db2.gz BYDQRSKTZUOQAZ-UHFFFAOYSA-N 0 0 429.571 2.741 50 0 IFAARN COC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000010542175 555845379 /nfs/dbraw/zinc/84/53/79/555845379.db2.gz QJVQNDSPUJDXDR-UHFFFAOYSA-N 0 0 428.938 2.540 50 0 IFAARN CCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000002880872 555854992 /nfs/dbraw/zinc/85/49/92/555854992.db2.gz IZEBNQYWTYVWLB-UHFFFAOYSA-N 0 0 425.348 2.819 50 0 IFAARN COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000002882140 555855861 /nfs/dbraw/zinc/85/58/61/555855861.db2.gz CSLBIJXJOZQBMZ-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000002885362 555857825 /nfs/dbraw/zinc/85/78/25/555857825.db2.gz GYMOHLLSORTKSX-ZDUSSCGKSA-N 0 0 427.320 2.759 50 0 IFAARN CCOc1ccc(N(CC(=O)NCCOC)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000002958458 555867236 /nfs/dbraw/zinc/86/72/36/555867236.db2.gz HRMBZERBXLPJPP-UHFFFAOYSA-N 0 0 438.571 2.765 50 0 IFAARN O=C(NCCc1ccccn1)c1cc2n(n1)CCN(Cc1ccccc1C(F)(F)F)C2=O ZINC000034811638 555909416 /nfs/dbraw/zinc/90/94/16/555909416.db2.gz XFVXLNAGKVCKAD-UHFFFAOYSA-N 0 0 443.429 2.925 50 0 IFAARN COc1ccc(CC(=O)N2CCc3n[nH]c(C(=O)NCCc4ccccc4)c3C2)cc1OC ZINC000034831926 555912609 /nfs/dbraw/zinc/91/26/09/555912609.db2.gz VRLGDAJEIAYUEF-UHFFFAOYSA-N 0 0 448.523 2.527 50 0 IFAARN COc1ccc(CCNC(=O)c2[nH]nc3c2CN(C(=O)Cc2ccc(F)cc2)CC3)cc1 ZINC000034831985 555912691 /nfs/dbraw/zinc/91/26/91/555912691.db2.gz JDHMIFPDIAGSJS-UHFFFAOYSA-N 0 0 436.487 2.657 50 0 IFAARN C[C@H](C(=O)NCc1ccccc1)N1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2C ZINC000034792940 555916626 /nfs/dbraw/zinc/91/66/26/555916626.db2.gz YKFPNHYRHSHONW-VLIAUNLRSA-N 0 0 438.915 2.837 50 0 IFAARN CCOC(=O)CCC(=O)NCCNC(=O)c1csc(COc2cc(C)cc(C)c2)n1 ZINC000034905404 555919791 /nfs/dbraw/zinc/91/97/91/555919791.db2.gz ASFAHHMEQJABCA-UHFFFAOYSA-N 0 0 433.530 2.528 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@]2(c2ccccc2)NN1 ZINC000034911075 555923308 /nfs/dbraw/zinc/92/33/08/555923308.db2.gz DBQSJBLAPSLFFT-QRWLVFNGSA-N 0 0 431.370 2.613 50 0 IFAARN Cc1ccccc1-n1nc(C(=O)NCCCN2CCOCC2)nc1CCc1ccccc1 ZINC000034911885 555924968 /nfs/dbraw/zinc/92/49/68/555924968.db2.gz SDNYRDKMNQOXLH-UHFFFAOYSA-N 0 0 433.556 2.813 50 0 IFAARN CCN1CCN(C(=O)[C@@H]2COC3(CCC(C)CC3)N2C(=O)c2cccc(OC)c2)CC1 ZINC000034921083 555931466 /nfs/dbraw/zinc/93/14/66/555931466.db2.gz IGRWYZRWXUHDOD-VZQLXNMESA-N 0 0 429.561 2.607 50 0 IFAARN CCOc1ccc2nc(NC(=O)CCNS(=O)(=O)c3cccc4nonc43)sc2c1 ZINC000003665237 555944830 /nfs/dbraw/zinc/94/48/30/555944830.db2.gz GGCWYDUKELHODL-UHFFFAOYSA-N 0 0 447.498 2.538 50 0 IFAARN C[C@@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCl ZINC000004014925 555952877 /nfs/dbraw/zinc/95/28/77/555952877.db2.gz MHUNHTADZGKXNC-YIOWFREUSA-N 0 0 438.948 2.571 50 0 IFAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010551216 555961137 /nfs/dbraw/zinc/96/11/37/555961137.db2.gz ZCLDODSMJGLAPR-UHFFFAOYSA-N 0 0 445.903 2.965 50 0 IFAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc(Br)c1O ZINC000004113596 555963755 /nfs/dbraw/zinc/96/37/55/555963755.db2.gz DDFHHBJHPJDSKX-OAHLLOKOSA-N 0 0 443.294 2.759 50 0 biogenic,in-vitro IFAARN C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004155993 555969057 /nfs/dbraw/zinc/96/90/57/555969057.db2.gz XSNLHIWRTQZZSU-SYCOBUBCSA-N 0 0 434.286 2.595 50 0 IFAARN c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2 ZINC000004254214 555979432 /nfs/dbraw/zinc/97/94/32/555979432.db2.gz UNTITLLXXOKDTB-UHFFFAOYSA-N 0 0 448.512 2.982 50 0 IFAARN O=S(=O)(NC[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000004343200 555988624 /nfs/dbraw/zinc/98/86/24/555988624.db2.gz JACCPGIJNMWQBX-JOCHJYFZSA-N 0 0 442.562 2.953 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NCCCOC(C)C)CC3)CC2=O)cc1 ZINC000004998906 556026488 /nfs/dbraw/zinc/02/64/88/556026488.db2.gz RUOWNZCBOWFNKT-HXUWFJFHSA-N 0 0 429.561 2.518 50 0 IFAARN O=C(NC1CCCCC1)[C@H]1C(=O)C(=O)N(C2CCCCC2)[C@@H]1C(=O)NC1CCCCC1 ZINC000005725541 556064238 /nfs/dbraw/zinc/06/42/38/556064238.db2.gz GVHDWWRDXRZYHT-UXHICEINSA-N 0 0 431.577 2.613 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccccc2OC)cc1 ZINC000006058456 556073108 /nfs/dbraw/zinc/07/31/08/556073108.db2.gz AUKNSDKGNUNOHC-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN NC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000006156838 556078565 /nfs/dbraw/zinc/07/85/65/556078565.db2.gz FQLKXOKPFIFOSA-UHFFFAOYSA-N 0 0 426.391 2.549 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n3C)n1Cc1ccco1 ZINC000002358486 556083549 /nfs/dbraw/zinc/08/35/49/556083549.db2.gz VFWFZUYDMDJTHN-UHFFFAOYSA-N 0 0 441.850 2.940 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000006489442 556091142 /nfs/dbraw/zinc/09/11/42/556091142.db2.gz PEBHRDUDLKKOOT-CKNGIZQFSA-N 0 0 434.517 2.807 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000006489449 556091489 /nfs/dbraw/zinc/09/14/89/556091489.db2.gz PEBHRDUDLKKOOT-CURYZJDOSA-N 0 0 434.517 2.807 50 0 IFAARN COCCN1C(=O)N(c2cccc(OC)c2)C(=O)[C@H]1CC(=O)Nc1ccc(OC)cc1 ZINC000006904856 556109218 /nfs/dbraw/zinc/10/92/18/556109218.db2.gz HWZUVYDPGZZKTK-LJQANCHMSA-N 0 0 427.457 2.516 50 0 IFAARN COc1cc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)o2)cc(OC)c1OC ZINC000002652725 556118308 /nfs/dbraw/zinc/11/83/08/556118308.db2.gz SRJCYWZCNDULCS-UHFFFAOYSA-N 0 0 444.469 2.592 50 0 IFAARN CCOC(=O)COc1cccc2c1ccn(CC(=O)Nc1ccc(OC)cc1OC)c2=O ZINC000002712232 556125392 /nfs/dbraw/zinc/12/53/92/556125392.db2.gz GTHLOVGVIMZQLG-UHFFFAOYSA-N 0 0 440.452 2.599 50 0 IFAARN CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)o1 ZINC000002720232 556126502 /nfs/dbraw/zinc/12/65/02/556126502.db2.gz NQGLQOSLNZHQOB-UHFFFAOYSA-N 0 0 444.538 2.932 50 0 IFAARN COC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1-c1ccc(F)cc1 ZINC000002724047 556131585 /nfs/dbraw/zinc/13/15/85/556131585.db2.gz ADJPXNSMASOLJO-UHFFFAOYSA-N 0 0 430.461 2.610 50 0 IFAARN COc1ccc(CNC(=O)Cn2cc(-c3nc(-c4ccc(OC)cc4)no3)ccc2=O)cc1 ZINC000033293172 556150047 /nfs/dbraw/zinc/15/00/47/556150047.db2.gz JULOIMYQGGGXOJ-UHFFFAOYSA-N 0 0 446.463 2.899 50 0 IFAARN CC(=O)NCCn1c(SCC(=O)NCCC2=CCCCC2)nc2ccccc2c1=O ZINC000002971936 556152191 /nfs/dbraw/zinc/15/21/91/556152191.db2.gz QHWKPPJBAJCVEJ-UHFFFAOYSA-N 0 0 428.558 2.631 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CS(=O)(=O)C3)cc1 ZINC000003009434 556155146 /nfs/dbraw/zinc/15/51/46/556155146.db2.gz KYZVSHIQRVECAN-UHFFFAOYSA-N 0 0 447.900 2.980 50 0 IFAARN CCOc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000003007747 556157000 /nfs/dbraw/zinc/15/70/00/556157000.db2.gz QEVMVOQSRKEGLA-UHFFFAOYSA-N 0 0 435.480 2.720 50 0 IFAARN CCOc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 ZINC000003007748 556157020 /nfs/dbraw/zinc/15/70/20/556157020.db2.gz SERLXQVBCFNEFO-UHFFFAOYSA-N 0 0 435.480 2.720 50 0 IFAARN COc1ccccc1OCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1OC ZINC000008399637 556165675 /nfs/dbraw/zinc/16/56/75/556165675.db2.gz PMWWFSYEZJHEKA-QZTJIDSGSA-N 0 0 442.512 2.705 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000008424762 556167984 /nfs/dbraw/zinc/16/79/84/556167984.db2.gz HAAXBSWVXZCUNO-WPNIOXTASA-N 0 0 440.546 2.868 50 0 IFAARN c1ccc(-n2nnnc2Sc2nnc(Sc3nnnn3-c3ccccc3)s2)cc1 ZINC000008431087 556170795 /nfs/dbraw/zinc/17/07/95/556170795.db2.gz JINFGKQSRJPALQ-UHFFFAOYSA-N 0 0 438.527 2.792 50 0 IFAARN CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1nc(C)cs1 ZINC000008442194 556177145 /nfs/dbraw/zinc/17/71/45/556177145.db2.gz YRTXUSYXFIZTAS-UHFFFAOYSA-N 0 0 436.588 2.828 50 0 IFAARN CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Br)OCO2 ZINC000008443449 556178372 /nfs/dbraw/zinc/17/83/72/556178372.db2.gz CBUOVBLYVDWZGQ-AWEZNQCLSA-N 0 0 429.292 2.712 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000008451312 556181798 /nfs/dbraw/zinc/18/17/98/556181798.db2.gz LQRNSHULXFSFPP-FNGUVFISSA-N 0 0 449.532 2.592 50 0 IFAARN CCOC(=O)N1CCN(C(=O)/C(=C/c2ccccc2OC)NC(=O)c2ccccc2)CC1 ZINC000008653916 556196868 /nfs/dbraw/zinc/19/68/68/556196868.db2.gz BXBRBXJDYUJLFT-JZJYNLBNSA-N 0 0 437.496 2.767 50 0 IFAARN O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000008670634 556198248 /nfs/dbraw/zinc/19/82/48/556198248.db2.gz PWTVWAXQEJCFMY-CQSZACIVSA-N 0 0 434.518 2.548 50 0 IFAARN Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1C ZINC000008714477 556201814 /nfs/dbraw/zinc/20/18/14/556201814.db2.gz DKMIHPYNZUVREC-UHFFFAOYSA-N 0 0 432.590 2.657 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3Cc4cc(OC)c(OC)cc4CN3C2=S)cc1 ZINC000008770478 556213406 /nfs/dbraw/zinc/21/34/06/556213406.db2.gz LKSJZPRTSYDNJA-KRWDZBQOSA-N 0 0 426.494 2.939 50 0 IFAARN CCOC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@]1(C)O)OCO3 ZINC000008815968 556217440 /nfs/dbraw/zinc/21/74/40/556217440.db2.gz LXOGFILEDJYPBT-ZRCGQRJVSA-N 0 0 446.452 2.853 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(CCOc1ccccc1C)C2=O ZINC000008843684 556226393 /nfs/dbraw/zinc/22/63/93/556226393.db2.gz NIJWJHLDYJEOAV-QFIPXVFZSA-N 0 0 438.509 2.576 50 0 IFAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nc(C)c(C(=O)OCC(C)C)s2)n1 ZINC000008868063 556228378 /nfs/dbraw/zinc/22/83/78/556228378.db2.gz IIGQZIVCTIGHDT-UHFFFAOYSA-N 0 0 446.938 2.754 50 0 IFAARN COc1ccc(/C=C(/NC(=O)c2cccs2)C(=O)NCCCn2ccnc2)cc1OC ZINC000008934865 556235422 /nfs/dbraw/zinc/23/54/22/556235422.db2.gz RGSPKAVJVMGTJV-GHRIWEEISA-N 0 0 440.525 2.939 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)N4CCCCCC4)CC3=O)cc2)CC1 ZINC000009095662 556246780 /nfs/dbraw/zinc/24/67/80/556246780.db2.gz CPKLBRFVSPZUMB-IBGZPJMESA-N 0 0 447.601 2.863 50 0 IFAARN O=C(NCCCN1CCCC1=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000009134107 556248889 /nfs/dbraw/zinc/24/88/89/556248889.db2.gz GWAUVKRNXHFPRY-DOMZBBRYSA-N 0 0 425.411 2.879 50 0 IFAARN CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 ZINC000009190922 556253199 /nfs/dbraw/zinc/25/31/99/556253199.db2.gz PDSVVZNVKWYGTP-AWEZNQCLSA-N 0 0 435.933 2.938 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)CC2=O)cc1 ZINC000009191076 556253466 /nfs/dbraw/zinc/25/34/66/556253466.db2.gz CTWMYRUWOPTFLB-GOSISDBHSA-N 0 0 449.507 2.954 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)Cc3ccccc3)sc2c1 ZINC000009288575 556273205 /nfs/dbraw/zinc/27/32/05/556273205.db2.gz YWQZRFWNBCZMEM-UHFFFAOYSA-N 0 0 438.552 2.643 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000009288596 556273236 /nfs/dbraw/zinc/27/32/36/556273236.db2.gz DIQHRDBPYKIZHU-MRXNPFEDSA-N 0 0 445.541 2.717 50 0 IFAARN CC[C@@]1(c2ccc(NC(=O)C(=O)NCCc3c[nH]c4ccccc34)cc2)CCC(=O)NC1=O ZINC000013683402 556274638 /nfs/dbraw/zinc/27/46/38/556274638.db2.gz SATIDKZYQOKVDB-VWLOTQADSA-N 0 0 446.507 2.550 50 0 IFAARN COc1ccc(C)cc1CN1CCN(CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)CC1 ZINC000097601708 556274880 /nfs/dbraw/zinc/27/48/80/556274880.db2.gz XDFPZLPFHSBSES-RTBURBONSA-N 0 0 428.577 2.825 50 0 IFAARN O=C(NCCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009305025 556276580 /nfs/dbraw/zinc/27/65/80/556276580.db2.gz MECLFYPZIMUJIJ-QGZVFWFLSA-N 0 0 444.582 2.841 50 0 IFAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CNC(=O)[C@H]2CCCO2)n3C)cc1OC ZINC000013688054 556277746 /nfs/dbraw/zinc/27/77/46/556277746.db2.gz FRBKRHWDGJWOAO-LJQANCHMSA-N 0 0 438.484 2.638 50 0 IFAARN COc1ccc(CN(Cc2ccco2)C(=S)NCCCN2CCOCC2)cc1OC ZINC000013690681 556280065 /nfs/dbraw/zinc/28/00/65/556280065.db2.gz JSIDLDKYECARDC-UHFFFAOYSA-N 0 0 433.574 2.896 50 0 IFAARN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(OC)c2OC)C1=O ZINC000009324022 556281721 /nfs/dbraw/zinc/28/17/21/556281721.db2.gz UPWDFNWYWMNMRE-SFQUDFHCSA-N 0 0 439.468 2.806 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000009327501 556281990 /nfs/dbraw/zinc/28/19/90/556281990.db2.gz AJWFRQVMEXGNTC-SRKIZSPNSA-N 0 0 433.533 2.927 50 0 IFAARN CCOC(=O)N1CCN(C(=O)/C(=C/c2ccc(F)cc2)NC(=O)c2ccccc2)CC1 ZINC000009331160 556282622 /nfs/dbraw/zinc/28/26/22/556282622.db2.gz ZPINNJZNQAYAQX-SILNSSARSA-N 0 0 425.460 2.897 50 0 IFAARN Cc1c(C)n(Cc2ccncc2)c2ncn3nc(CN4C(=O)c5ccccc5C4=O)nc3c12 ZINC000009344292 556283768 /nfs/dbraw/zinc/28/37/68/556283768.db2.gz BRSTYOBBTNBWHW-UHFFFAOYSA-N 0 0 437.463 2.935 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009355823 556284620 /nfs/dbraw/zinc/28/46/20/556284620.db2.gz IMSNPBPYIBCKND-YJBOKZPZSA-N 0 0 425.460 2.726 50 0 IFAARN COc1ccc(-c2cc(NC(=O)COc3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000013720052 556289323 /nfs/dbraw/zinc/28/93/23/556289323.db2.gz NFIBRJLIKKVKIG-QGZVFWFLSA-N 0 0 441.509 2.936 50 0 IFAARN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCCCOc1ccccc1)N2c1ccc2c(c1)OCO2 ZINC000013720764 556289750 /nfs/dbraw/zinc/28/97/50/556289750.db2.gz QFZOQAOCVZSNJP-MSOLQXFVSA-N 0 0 446.550 2.959 50 0 IFAARN Cn1c(CNC(=O)[C@@H]2COc3ccccc3O2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000013721136 556290224 /nfs/dbraw/zinc/29/02/24/556290224.db2.gz HRQAAAOQZIZUIP-FQEVSTJZSA-N 0 0 432.436 2.875 50 0 IFAARN NS(=O)(=O)c1ccc(CNC(=O)CCn2ccc3ccc(Br)cc32)cc1 ZINC000013724794 556292499 /nfs/dbraw/zinc/29/24/99/556292499.db2.gz ZQUTZFASMRMDDE-UHFFFAOYSA-N 0 0 436.331 2.758 50 0 IFAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccncc4)nn2c1=O)CCC3)N1CCCCC1 ZINC000013732435 556296076 /nfs/dbraw/zinc/29/60/76/556296076.db2.gz SIVGXOJCNHHHAP-UHFFFAOYSA-N 0 0 434.525 2.669 50 0 IFAARN CCc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000009526004 556296689 /nfs/dbraw/zinc/29/66/89/556296689.db2.gz ZVRYTHBGTSMJGX-KRWDZBQOSA-N 0 0 436.464 2.820 50 0 IFAARN C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O ZINC000032744870 556299657 /nfs/dbraw/zinc/29/96/57/556299657.db2.gz IKTLKXFECZXJOP-GFCCVEGCSA-N 0 0 433.386 2.787 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)N(C)C[C@H]3COc4ccccc4O3)c(C)n2n1 ZINC000032739249 556299748 /nfs/dbraw/zinc/29/97/48/556299748.db2.gz FTOOSGOROKAIIU-HNNXBMFYSA-N 0 0 427.530 2.694 50 0 IFAARN CCc1cc2oc(=O)cc(COC(=O)CCC(=O)N3CCN(C(C)=O)CC3)c2cc1Cl ZINC000032739608 556300063 /nfs/dbraw/zinc/30/00/63/556300063.db2.gz MSBZUUXFAYGTMS-UHFFFAOYSA-N 0 0 448.903 2.523 50 0 IFAARN COc1cc(CNC(=O)[C@H](NS(=O)(=O)c2ccccc2)C(C)C)ccc1OC(F)F ZINC000032740907 556302174 /nfs/dbraw/zinc/30/21/74/556302174.db2.gz IBKGXDLZFPBZCV-GOSISDBHSA-N 0 0 442.484 2.916 50 0 IFAARN O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000032741722 556303435 /nfs/dbraw/zinc/30/34/35/556303435.db2.gz UXXMBZLZJQNYRE-OFNKIYASSA-N 0 0 438.505 2.759 50 0 IFAARN C[C@@H]1CCc2c(sc3ncn(CC(=O)NC[C@@H]4COc5ccccc5O4)c(=O)c32)C1 ZINC000032736383 556306334 /nfs/dbraw/zinc/30/63/34/556306334.db2.gz WXYDNHADYYXZDK-ZIAGYGMSSA-N 0 0 425.510 2.539 50 0 IFAARN COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 ZINC000009763268 556308648 /nfs/dbraw/zinc/30/86/48/556308648.db2.gz ZKKZXKNJTVJOEQ-FQEVSTJZSA-N 0 0 432.480 2.861 50 0 IFAARN CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(CC(C)C)c2=O)CN(C(C)=O)CC4)c1 ZINC000009830520 556310977 /nfs/dbraw/zinc/31/09/77/556310977.db2.gz DDFWUWRVZWCPMF-UHFFFAOYSA-N 0 0 439.537 2.977 50 0 IFAARN COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1C[C@H]1CCCO1 ZINC000009830424 556311019 /nfs/dbraw/zinc/31/10/19/556311019.db2.gz SNOILDGZAASXAS-CQSZACIVSA-N 0 0 426.498 2.710 50 0 IFAARN CCc1ccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCCC4)cc3oc2=O)cc1 ZINC000009830605 556311343 /nfs/dbraw/zinc/31/13/43/556311343.db2.gz ICDMXEULBMEIIA-UHFFFAOYSA-N 0 0 443.525 2.970 50 0 IFAARN CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3cccnc32)cc1 ZINC000009830930 556311976 /nfs/dbraw/zinc/31/19/76/556311976.db2.gz UOZYXZUGAXRADN-UHFFFAOYSA-N 0 0 432.455 2.947 50 0 IFAARN CC(=O)N1CCc2cc(NC(=O)[C@@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)ccc21 ZINC000032753089 556315106 /nfs/dbraw/zinc/31/51/06/556315106.db2.gz ILFSMOWDPDHBDD-AZUAARDMSA-N 0 0 427.501 2.516 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2cc(-c3cccs3)on2)cc1 ZINC000032747247 556315705 /nfs/dbraw/zinc/31/57/05/556315705.db2.gz LSVDZSWHDMQDSK-GFCCVEGCSA-N 0 0 449.510 2.772 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013843062 556317860 /nfs/dbraw/zinc/31/78/60/556317860.db2.gz GZDSZIXUBAULAU-NSHDSACASA-N 0 0 441.303 2.526 50 0 IFAARN CCCCn1c2nc(CN(C)Cc3ccc(OC(F)F)cc3)n(CC)c2c(=O)[nH]c1=O ZINC000032759253 556319111 /nfs/dbraw/zinc/31/91/11/556319111.db2.gz XIMKWYKGPNOGAP-UHFFFAOYSA-N 0 0 435.475 2.940 50 0 IFAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2nnsc2Cl)CC1 ZINC000032759364 556319128 /nfs/dbraw/zinc/31/91/28/556319128.db2.gz ALKGRNOJMZOIPW-UHFFFAOYSA-N 0 0 442.872 2.597 50 0 IFAARN O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000032760393 556320392 /nfs/dbraw/zinc/32/03/92/556320392.db2.gz ZFPDOZDSBBMRFG-INIZCTEOSA-N 0 0 429.517 2.724 50 0 IFAARN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)Cc1cccc(Cl)c1 ZINC000032753434 556322414 /nfs/dbraw/zinc/32/24/14/556322414.db2.gz KZQDWMXUYFIPAW-UHFFFAOYSA-N 0 0 438.981 2.727 50 0 IFAARN CCN(CC(=O)NC[C@H]1COc2ccccc2O1)CC(=O)Nc1cc(Cl)ccc1C ZINC000032753370 556322500 /nfs/dbraw/zinc/32/25/00/556322500.db2.gz WYOJIQPLRRSSJN-KRWDZBQOSA-N 0 0 431.920 2.865 50 0 IFAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-n2cccn2)nc1 ZINC000032754773 556324101 /nfs/dbraw/zinc/32/41/01/556324101.db2.gz ZVWZEPYRODBXQO-UHFFFAOYSA-N 0 0 439.273 2.769 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O ZINC000013881505 556326250 /nfs/dbraw/zinc/32/62/50/556326250.db2.gz XLGKCUJNRBOYJS-UHFFFAOYSA-N 0 0 425.400 2.722 50 0 IFAARN O=C(CN1C(=O)COc2ccccc21)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032769017 556333929 /nfs/dbraw/zinc/33/39/29/556333929.db2.gz XMQYITCPASGYQH-UHFFFAOYSA-N 0 0 434.418 2.565 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000032769077 556333935 /nfs/dbraw/zinc/33/39/35/556333935.db2.gz HCAFNYRGDDPBRF-OAQYLSRUSA-N 0 0 447.532 2.572 50 0 IFAARN CS(=O)(=O)Nc1cccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000032781109 556347112 /nfs/dbraw/zinc/34/71/12/556347112.db2.gz WKQVWRBYSLVFAI-UHFFFAOYSA-N 0 0 442.463 2.824 50 0 IFAARN O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCN(C(=O)c2cccs2)CC1 ZINC000011714537 556347998 /nfs/dbraw/zinc/34/79/98/556347998.db2.gz OBKMKOGLFRSTKP-UHFFFAOYSA-N 0 0 433.896 2.779 50 0 IFAARN Cc1cc(CN(C)C(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)on1 ZINC000011753632 556348858 /nfs/dbraw/zinc/34/88/58/556348858.db2.gz LRTKWLXBNCDXTK-UHFFFAOYSA-N 0 0 441.937 2.711 50 0 IFAARN Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)n2ncnc2n1 ZINC000032784312 556349581 /nfs/dbraw/zinc/34/95/81/556349581.db2.gz DYAWTZWNJABEOY-UHFFFAOYSA-N 0 0 438.469 2.748 50 0 IFAARN COC(=O)c1sccc1NC(=O)CSc1nncn1-c1cccc(NC(C)=O)c1 ZINC000032778442 556351444 /nfs/dbraw/zinc/35/14/44/556351444.db2.gz ORFLVXLLJITPNP-UHFFFAOYSA-N 0 0 431.499 2.805 50 0 IFAARN COc1ccc(F)c(C[C@@]2(CCC(=O)N(C)C[C@H](O)c3ccccc3)CCC(=O)N2)c1 ZINC000011783483 556351711 /nfs/dbraw/zinc/35/17/11/556351711.db2.gz AXCLSLQJVVPSEI-URXFXBBRSA-N 0 0 428.504 2.998 50 0 IFAARN COc1ccc(F)c(C[C@]2(CCC(=O)N(C)C[C@H](O)c3ccccc3)CCC(=O)N2)c1 ZINC000011783484 556351775 /nfs/dbraw/zinc/35/17/75/556351775.db2.gz AXCLSLQJVVPSEI-XUZZJYLKSA-N 0 0 428.504 2.998 50 0 IFAARN CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2cccc(OC)c2)C3)n(C)n1 ZINC000011783732 556352200 /nfs/dbraw/zinc/35/22/00/556352200.db2.gz OIVKRSYUVQFNOI-UHFFFAOYSA-N 0 0 447.539 2.823 50 0 IFAARN COC(=O)c1cc(CNC(=O)c2n[nH]c3c2CCC3)cc(NC(=O)Cc2ccccc2)c1 ZINC000011784604 556352540 /nfs/dbraw/zinc/35/25/40/556352540.db2.gz ZOAGCEYDGYLYLW-UHFFFAOYSA-N 0 0 432.480 2.796 50 0 IFAARN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000013990299 556352791 /nfs/dbraw/zinc/35/27/91/556352791.db2.gz MEFOSUGBNNBNQG-UHFFFAOYSA-N 0 0 431.558 2.931 50 0 IFAARN COc1cc(C[C@@]2(CCC(=O)NCc3cn4ccsc4n3)CCC(=O)N2)ccc1F ZINC000011784631 556352901 /nfs/dbraw/zinc/35/29/01/556352901.db2.gz FEFXHFULWSQTHP-OAQYLSRUSA-N 0 0 430.505 2.831 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000013992339 556353113 /nfs/dbraw/zinc/35/31/13/556353113.db2.gz DRWJQBDSETTXLB-UHFFFAOYSA-N 0 0 433.439 2.998 50 0 IFAARN COCCN1C(=O)C[C@@](CC(=O)N2CCC[C@H]2c2nccs2)(c2ccccc2F)C1=O ZINC000011787865 556354150 /nfs/dbraw/zinc/35/41/50/556354150.db2.gz KPCFJKVPRZVCEU-JTSKRJEESA-N 0 0 445.516 2.679 50 0 IFAARN COCCN1C(=O)C[C@](CC(=O)N2CCC[C@@H]2c2nccs2)(c2ccccc2F)C1=O ZINC000011787864 556354227 /nfs/dbraw/zinc/35/42/27/556354227.db2.gz KPCFJKVPRZVCEU-VGOFRKELSA-N 0 0 445.516 2.679 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000014023017 556357099 /nfs/dbraw/zinc/35/70/99/556357099.db2.gz VYMXNAJFIALEKK-UHFFFAOYSA-N 0 0 429.484 2.653 50 0 IFAARN COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C[C@H](O)c3ccccc3)cc2)CC1 ZINC000011814079 556357626 /nfs/dbraw/zinc/35/76/26/556357626.db2.gz NIYOTAFSPMCACR-QFIPXVFZSA-N 0 0 426.513 2.508 50 0 IFAARN CNC(=O)Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC000032796102 556358925 /nfs/dbraw/zinc/35/89/25/556358925.db2.gz KSDBNYXGUQINCM-AWEZNQCLSA-N 0 0 430.302 2.729 50 0 IFAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000032796082 556358939 /nfs/dbraw/zinc/35/89/39/556358939.db2.gz AKOLZXOPPKVLCY-HNNXBMFYSA-N 0 0 448.354 2.984 50 0 IFAARN C[C@@H](NC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1)c1ccccc1 ZINC000011816435 556359133 /nfs/dbraw/zinc/35/91/33/556359133.db2.gz LSXDFXHFVHPNFM-QGZVFWFLSA-N 0 0 431.558 2.827 50 0 IFAARN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1 ZINC000011817962 556360426 /nfs/dbraw/zinc/36/04/26/556360426.db2.gz PBIVLDKADGOLPZ-IBGZPJMESA-N 0 0 434.544 2.546 50 0 IFAARN CCCCCN(CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000014075862 556361721 /nfs/dbraw/zinc/36/17/21/556361721.db2.gz ZZMYHIRVXIGZSD-FGTMMUONSA-N 0 0 435.613 2.856 50 0 IFAARN Cc1c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cccc1-n1cnnn1 ZINC000014076008 556361815 /nfs/dbraw/zinc/36/18/15/556361815.db2.gz UETZWKTVDLDKLO-UHFFFAOYSA-N 0 0 435.513 2.650 50 0 IFAARN CC(C)OCCCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000011843041 556366303 /nfs/dbraw/zinc/36/63/03/556366303.db2.gz VTSXJPGSLMYFMU-UHFFFAOYSA-N 0 0 432.970 2.688 50 0 IFAARN Cc1cccc2nc(CSc3nnc(N4CCOCC4)n3-c3ccccc3)cc(=O)n12 ZINC000014094685 556366540 /nfs/dbraw/zinc/36/65/40/556366540.db2.gz CDUZVQIDCWADMN-UHFFFAOYSA-N 0 0 434.525 2.713 50 0 IFAARN Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1NC(=O)CSc1nncn1C ZINC000014095491 556367211 /nfs/dbraw/zinc/36/72/11/556367211.db2.gz LPEAAAZRTOTSHK-UHFFFAOYSA-N 0 0 439.497 2.513 50 0 IFAARN CN(Cc1cnn(C)c1)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O ZINC000011870709 556368667 /nfs/dbraw/zinc/36/86/67/556368667.db2.gz UCNNNWNPTJPZLP-NRFANRHFSA-N 0 0 448.445 2.647 50 0 IFAARN Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC000011870799 556369067 /nfs/dbraw/zinc/36/90/67/556369067.db2.gz WVCSYTUACGTPIO-VWNXMTODSA-N 0 0 432.528 2.967 50 0 IFAARN CC(C)c1nc(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)nn1-c1ccccc1 ZINC000014124603 556373197 /nfs/dbraw/zinc/37/31/97/556373197.db2.gz XLMMZPBDGLSGOY-UHFFFAOYSA-N 0 0 441.557 2.671 50 0 IFAARN O=C(COC(=O)CCC1=NC(=O)C2=C3CCCC3S[C@@H]2N1)NCc1ccc(Cl)cc1 ZINC000014136190 556375083 /nfs/dbraw/zinc/37/50/83/556375083.db2.gz SIOMVONNCLDFPR-CTNGQTDRSA-N 0 0 447.944 2.935 50 0 IFAARN O=C(NCc1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1)c1n[nH]c2c1CCC2 ZINC000011912126 556375289 /nfs/dbraw/zinc/37/52/89/556375289.db2.gz LQLCPRNGLJCKBL-MRXNPFEDSA-N 0 0 438.557 2.739 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000014136793 556375409 /nfs/dbraw/zinc/37/54/09/556375409.db2.gz MTWATUVKNNGBBA-JOCHJYFZSA-N 0 0 438.509 2.597 50 0 IFAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000014136786 556375522 /nfs/dbraw/zinc/37/55/22/556375522.db2.gz OGWYVQXAGZNCQQ-HUUCEWRRSA-N 0 0 431.514 2.695 50 0 IFAARN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)C2=O)cc1 ZINC000014140419 556376405 /nfs/dbraw/zinc/37/64/05/556376405.db2.gz FSSVFRNDFVWRCS-DEOSSOPVSA-N 0 0 436.512 2.747 50 0 IFAARN Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)COc3ccc(Br)cc3)C2=O)cc1 ZINC000014167092 556379715 /nfs/dbraw/zinc/37/97/15/556379715.db2.gz QOJUCBGVWNIPGE-OXQOHEQNSA-N 0 0 433.302 2.964 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ncnc3sccc32)C1=O ZINC000014170716 556381533 /nfs/dbraw/zinc/38/15/33/556381533.db2.gz VNGZQOAXNZBBSV-LJQANCHMSA-N 0 0 427.511 2.672 50 0 IFAARN CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H](Cc3ccccc3)n3cnnn3)n2)cc1 ZINC000014180333 556382237 /nfs/dbraw/zinc/38/22/37/556382237.db2.gz VPAXTSKYISBHKH-FQEVSTJZSA-N 0 0 447.524 2.855 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc2c(c1)OCO2 ZINC000014182458 556382769 /nfs/dbraw/zinc/38/27/69/556382769.db2.gz DJTWZGKLQOWIJP-UHFFFAOYSA-N 0 0 426.494 2.596 50 0 IFAARN CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014182603 556382817 /nfs/dbraw/zinc/38/28/17/556382817.db2.gz QUKHYMXSURMPEF-UHFFFAOYSA-N 0 0 446.429 2.782 50 0 IFAARN COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)N[C@H](C)c2cccc(OC)c2)c1=O ZINC000011972885 556382958 /nfs/dbraw/zinc/38/29/58/556382958.db2.gz YSHACHQUPPYLKG-QGZVFWFLSA-N 0 0 443.544 2.770 50 0 IFAARN O=C(NCc1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1)CC2)c1ccccc1 ZINC000011977000 556383571 /nfs/dbraw/zinc/38/35/71/556383571.db2.gz IXBUEXBDGPYZGJ-UHFFFAOYSA-N 0 0 443.429 2.925 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000014184635 556384564 /nfs/dbraw/zinc/38/45/64/556384564.db2.gz KZCDXMVLYSBDBD-ZHRRBRCNSA-N 0 0 441.484 2.709 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)NC(=O)COC(=O)c2ccccc2SCC(=O)N(C)C)[C@@H]1C ZINC000014185580 556385489 /nfs/dbraw/zinc/38/54/89/556385489.db2.gz GIRBUONXRWSUBU-INMHGKMJSA-N 0 0 449.573 2.674 50 0 IFAARN Cc1cc(C(=O)NCc2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)n(C)n1 ZINC000012034537 556389234 /nfs/dbraw/zinc/38/92/34/556389234.db2.gz XLONWRXCLJGCAC-KRWDZBQOSA-N 0 0 426.546 2.569 50 0 IFAARN NC(=O)CCN(Cc1ccccc1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000014199977 556390573 /nfs/dbraw/zinc/39/05/73/556390573.db2.gz XQCHDIMXRXVOGQ-UHFFFAOYSA-N 0 0 440.503 2.963 50 0 IFAARN COCCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccc(C)o4)n3)c2C2CC2)CC1 ZINC000012047645 556391463 /nfs/dbraw/zinc/39/14/63/556391463.db2.gz PKJHHVOQVILSKL-UHFFFAOYSA-N 0 0 436.516 2.512 50 0 IFAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC3CCCCCC3)N(Cc3ccsc3)C2)nn1 ZINC000012042334 556391512 /nfs/dbraw/zinc/39/15/12/556391512.db2.gz MWYQLZNNNUCRMB-MJGOQNOKSA-N 0 0 431.562 2.781 50 0 IFAARN O=S(=O)(N1CCN(Cn2nc(-c3ccccc3)oc2=S)CC1)N1CCCCCC1 ZINC000014201268 556391663 /nfs/dbraw/zinc/39/16/63/556391663.db2.gz OHAMSQGSCCJQHN-UHFFFAOYSA-N 0 0 437.591 2.568 50 0 IFAARN CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 ZINC000032809394 556394189 /nfs/dbraw/zinc/39/41/89/556394189.db2.gz ZRDBMNVUELAGCA-HXUWFJFHSA-N 0 0 425.485 2.960 50 0 IFAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000014226890 556395050 /nfs/dbraw/zinc/39/50/50/556395050.db2.gz DPGHQWCNYDFLBU-UHFFFAOYSA-N 0 0 429.432 2.843 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)NC(=O)N[C@H]1C ZINC000014229124 556396346 /nfs/dbraw/zinc/39/63/46/556396346.db2.gz VAJGAVZETYAXMX-HNNXBMFYSA-N 0 0 436.464 2.901 50 0 IFAARN C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000012077910 556397819 /nfs/dbraw/zinc/39/78/19/556397819.db2.gz IUJOJONQZIJUMV-ZDUSSCGKSA-N 0 0 443.891 2.803 50 0 IFAARN O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000014231288 556397920 /nfs/dbraw/zinc/39/79/20/556397920.db2.gz WTTRJKFXNXCTGU-LJQANCHMSA-N 0 0 438.908 2.706 50 0 IFAARN O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000014233476 556398907 /nfs/dbraw/zinc/39/89/07/556398907.db2.gz PXQHJNQBANGXBM-UHFFFAOYSA-N 0 0 427.320 2.508 50 0 IFAARN Cc1cc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)ccc1Br ZINC000032814368 556399614 /nfs/dbraw/zinc/39/96/14/556399614.db2.gz DSYKFNJKZLXDES-UHFFFAOYSA-N 0 0 436.287 2.749 50 0 IFAARN COc1cccc(Cc2cnc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)s2)c1 ZINC000014242046 556402615 /nfs/dbraw/zinc/40/26/15/556402615.db2.gz BXSHRCFLJDHONC-UHFFFAOYSA-N 0 0 428.514 2.936 50 0 IFAARN Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)Nc3ccccc3Br)ccc12 ZINC000014242784 556403503 /nfs/dbraw/zinc/40/35/03/556403503.db2.gz XGFOVVQDEMTPSL-UHFFFAOYSA-N 0 0 445.269 2.998 50 0 IFAARN COc1ccccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000014244296 556403910 /nfs/dbraw/zinc/40/39/10/556403910.db2.gz QTXQWRNWSODHMR-BBWFWOEESA-N 0 0 432.542 2.984 50 0 IFAARN C[C@H](CCc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014244477 556404213 /nfs/dbraw/zinc/40/42/13/556404213.db2.gz TZIAGXLHLAHCBS-MRXNPFEDSA-N 0 0 448.541 2.589 50 0 IFAARN COc1ccc([C@@H]2N(C(=O)CN3CCCC3)CCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000012420632 556404315 /nfs/dbraw/zinc/40/43/15/556404315.db2.gz NPGSJLDIAVZVJF-HSZRJFAPSA-N 0 0 443.569 2.713 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000014245851 556405758 /nfs/dbraw/zinc/40/57/58/556405758.db2.gz VVRZYAAZHPSTHP-BHIYHBOVSA-N 0 0 449.617 2.968 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC000014246396 556406341 /nfs/dbraw/zinc/40/63/41/556406341.db2.gz OZFAUWUZEFGXNK-FQEVSTJZSA-N 0 0 443.525 2.848 50 0 IFAARN COc1ccc(F)cc1COC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000014246854 556406872 /nfs/dbraw/zinc/40/68/72/556406872.db2.gz KFZYNOPDMQMXMQ-CQSZACIVSA-N 0 0 432.473 2.739 50 0 IFAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000014247999 556407408 /nfs/dbraw/zinc/40/74/08/556407408.db2.gz YNVWNLSUUYXWMV-UHFFFAOYSA-N 0 0 428.432 2.601 50 0 IFAARN O=S1(=O)CC[C@@H](N(Cc2cccc(F)c2)C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000032594249 556407713 /nfs/dbraw/zinc/40/77/13/556407713.db2.gz KKDTWOFEPUNPTQ-RTBURBONSA-N 0 0 427.925 2.908 50 0 IFAARN COc1ccc(CN(C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1OC ZINC000014248027 556407781 /nfs/dbraw/zinc/40/77/81/556407781.db2.gz VPUDMMBKLIVMKK-UHFFFAOYSA-N 0 0 448.541 2.769 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@@H](O)COc2cccc3ccccc32)C1=O ZINC000014252292 556409557 /nfs/dbraw/zinc/40/95/57/556409557.db2.gz KSUHBKILNBSIML-IQGLISFBSA-N 0 0 448.475 2.818 50 0 IFAARN O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014252409 556409591 /nfs/dbraw/zinc/40/95/91/556409591.db2.gz ZAYJIVIRSNKPLR-LJQANCHMSA-N 0 0 448.972 2.864 50 0 IFAARN CCNC(=O)CN1CCCN(C(=O)COc2ccc(Oc3ccc(C)cc3)cc2)CC1 ZINC000032824287 556409628 /nfs/dbraw/zinc/40/96/28/556409628.db2.gz NPBRBLNRPGMZJS-UHFFFAOYSA-N 0 0 425.529 2.837 50 0 IFAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000032825595 556410901 /nfs/dbraw/zinc/41/09/01/556410901.db2.gz IPJUAYFWAJCLFY-UHFFFAOYSA-N 0 0 425.304 2.991 50 0 IFAARN O=C1CSc2sc3c(ncn(C[C@@H](c4ccccc4)N4CCOCC4)c3=O)c2N1 ZINC000032624522 556411401 /nfs/dbraw/zinc/41/14/01/556411401.db2.gz OTULDXHGUGPGTP-AWEZNQCLSA-N 0 0 428.539 2.576 50 0 IFAARN Cc1ccc(NC(=O)CSCCC(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000032819618 556412170 /nfs/dbraw/zinc/41/21/70/556412170.db2.gz PZYMRSMJOQGFDV-MRXNPFEDSA-N 0 0 449.598 2.924 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)COc1ccc(-n3cnnn3)cc1)C[C@@H](C)CC2 ZINC000014352368 556413955 /nfs/dbraw/zinc/41/39/55/556413955.db2.gz GNQAEQWUNOWMIH-LBPRGKRZSA-N 0 0 427.486 2.653 50 0 IFAARN COc1cccc([C@]2(C)NC(=O)N(C[C@H](O)COc3ccc(Br)cc3)C2=O)c1 ZINC000012942740 556417244 /nfs/dbraw/zinc/41/72/44/556417244.db2.gz NBAASMAHDVNFBZ-YWZLYKJASA-N 0 0 449.301 2.665 50 0 IFAARN Cc1ccc(-c2cnc(CCC(=O)N3CCCN(CC(=O)NC(C)C)CC3)o2)cc1C ZINC000032831240 556417320 /nfs/dbraw/zinc/41/73/20/556417320.db2.gz PREWZHHGARCAPE-UHFFFAOYSA-N 0 0 426.561 2.950 50 0 IFAARN CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1CN1CCC[C@@H](C(N)=O)C1 ZINC000032836041 556418188 /nfs/dbraw/zinc/41/81/88/556418188.db2.gz QMSVLIUFCJGZPQ-QGZVFWFLSA-N 0 0 449.621 2.564 50 0 IFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012971687 556418842 /nfs/dbraw/zinc/41/88/42/556418842.db2.gz ZTKUUACAZNIVTF-CQSZACIVSA-N 0 0 426.897 2.780 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1 ZINC000012974186 556420311 /nfs/dbraw/zinc/42/03/11/556420311.db2.gz ZNEANWIGJPDROB-UHFFFAOYSA-N 0 0 433.555 2.820 50 0 IFAARN CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)CCOc2ccccc2)CC1=O ZINC000014532029 556420974 /nfs/dbraw/zinc/42/09/74/556420974.db2.gz RUXXAMCASWBKOA-QFIPXVFZSA-N 0 0 425.529 2.763 50 0 IFAARN O=C(N[C@@H]1CCSc2ccccc21)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012975339 556421096 /nfs/dbraw/zinc/42/10/96/556421096.db2.gz FOHYOGJZTUSWBV-QGZVFWFLSA-N 0 0 436.530 2.814 50 0 IFAARN C[C@H](NC(=O)c1nn(CCO)c2c1CN(Cc1ccc3c(c1)CCO3)CC2)c1ccccc1 ZINC000014532672 556421298 /nfs/dbraw/zinc/42/12/98/556421298.db2.gz NKUSLXJXJNSOEY-SFHVURJKSA-N 0 0 446.551 2.860 50 0 IFAARN O=C(Nc1cccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1)[C@@H]1CCCO1 ZINC000012976767 556422134 /nfs/dbraw/zinc/42/21/34/556422134.db2.gz GROCICAFTWDSNS-QFIPXVFZSA-N 0 0 435.524 2.973 50 0 IFAARN O=C(Nc1cccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1)[C@H]1CCCO1 ZINC000012976769 556422219 /nfs/dbraw/zinc/42/22/19/556422219.db2.gz GROCICAFTWDSNS-JOCHJYFZSA-N 0 0 435.524 2.973 50 0 IFAARN Cc1cc(C)n(-c2nnc(SCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)n2N)n1 ZINC000012976697 556422224 /nfs/dbraw/zinc/42/22/24/556422224.db2.gz GYFYOFHNRLWCSC-LFPRZYRFSA-N 0 0 429.594 2.608 50 0 IFAARN Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012977983 556422793 /nfs/dbraw/zinc/42/27/93/556422793.db2.gz PXCJKPNSKLNGEU-UHFFFAOYSA-N 0 0 444.553 2.873 50 0 IFAARN COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCC(=O)N1CCOCC1 ZINC000012979338 556423699 /nfs/dbraw/zinc/42/36/99/556423699.db2.gz FNCPXTUUPFNRFK-UYRXBGFRSA-N 0 0 436.464 2.586 50 0 IFAARN Cc1ccc(F)c(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000012979251 556423714 /nfs/dbraw/zinc/42/37/14/556423714.db2.gz AJKRVFJOMQEZII-UHFFFAOYSA-N 0 0 447.488 2.855 50 0 IFAARN Cc1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000012980467 556423821 /nfs/dbraw/zinc/42/38/21/556423821.db2.gz CAPLRBKELKHMGR-UHFFFAOYSA-N 0 0 446.573 2.595 50 0 IFAARN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccccc1F ZINC000012981528 556424493 /nfs/dbraw/zinc/42/44/93/556424493.db2.gz CPSIVLKSSJXOFR-UHFFFAOYSA-N 0 0 433.461 2.547 50 0 IFAARN Cc1nc(CN2C[C@H](OCc3ccccn3)CN(C(=O)[C@@H]3CC=CCC3)CC2=O)cs1 ZINC000014541667 556425939 /nfs/dbraw/zinc/42/59/39/556425939.db2.gz FBJDRBFETQRYLF-NQIIRXRSSA-N 0 0 440.569 2.959 50 0 IFAARN O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012985458 556426541 /nfs/dbraw/zinc/42/65/41/556426541.db2.gz NYNQRBUIACQXMT-UHFFFAOYSA-N 0 0 430.917 2.672 50 0 IFAARN CCCn1c2ccccc2n(CCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1=O ZINC000032841783 556427301 /nfs/dbraw/zinc/42/73/01/556427301.db2.gz WMHRGKHOVCSCFE-UHFFFAOYSA-N 0 0 435.528 2.979 50 0 IFAARN COc1ccc(Br)cc1CN(C)C(=O)CNS(=O)(=O)Cc1ccccc1 ZINC000012987465 556427684 /nfs/dbraw/zinc/42/76/84/556427684.db2.gz YCVQTBSXXXSKJE-UHFFFAOYSA-N 0 0 441.347 2.536 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3cncc(Br)c3)CC2)c1C ZINC000012988510 556427855 /nfs/dbraw/zinc/42/78/55/556427855.db2.gz ITKVZBQQRCDCKO-UHFFFAOYSA-N 0 0 431.334 2.857 50 0 IFAARN COc1cc(OC)c(OC)cc1CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000012988575 556427891 /nfs/dbraw/zinc/42/78/91/556427891.db2.gz MVGYHZULMAHYMB-UHFFFAOYSA-N 0 0 429.498 2.668 50 0 IFAARN C[C@H]1Oc2ccccc2N(CCC(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1=O ZINC000032842855 556427944 /nfs/dbraw/zinc/42/79/44/556427944.db2.gz KRQOGLBZMYLNQS-GFCCVEGCSA-N 0 0 439.493 2.721 50 0 IFAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000012994429 556429990 /nfs/dbraw/zinc/42/99/90/556429990.db2.gz LYTNBFRBAGQPML-UHFFFAOYSA-N 0 0 435.889 2.708 50 0 IFAARN Cc1ccc2c(C)c(CCC(=O)OCCOc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1 ZINC000032841087 556430091 /nfs/dbraw/zinc/43/00/91/556430091.db2.gz BFIQQVDPMBLLNO-UHFFFAOYSA-N 0 0 445.493 2.612 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000012998128 556432160 /nfs/dbraw/zinc/43/21/60/556432160.db2.gz XNPBAZDZBIXKOV-OAHLLOKOSA-N 0 0 441.347 2.978 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)NC1CCCCCC1 ZINC000012998935 556432620 /nfs/dbraw/zinc/43/26/20/556432620.db2.gz MTLIIEGYTMOHJW-UHFFFAOYSA-N 0 0 431.961 2.624 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)nc2ccccc21 ZINC000014701310 556433188 /nfs/dbraw/zinc/43/31/88/556433188.db2.gz NPYQENIGERJCNR-UHFFFAOYSA-N 0 0 445.928 2.839 50 0 IFAARN CC(=O)Nc1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)n2)cc1 ZINC000013001142 556433399 /nfs/dbraw/zinc/43/33/99/556433399.db2.gz BUSBCOFJDNLPQS-UHFFFAOYSA-N 0 0 427.486 2.572 50 0 IFAARN Cc1csc(=O)n1CCC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000032858028 556434250 /nfs/dbraw/zinc/43/42/50/556434250.db2.gz JGCMOQXBLVYMDB-UHFFFAOYSA-N 0 0 438.556 2.742 50 0 IFAARN CS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(C(=O)NCc3ccccc3)c2)cc1 ZINC000013004812 556434466 /nfs/dbraw/zinc/43/44/66/556434466.db2.gz XUCZOJBTQCAPOU-UHFFFAOYSA-N 0 0 445.518 2.788 50 0 IFAARN CC(C)[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccccc1 ZINC000032858294 556434854 /nfs/dbraw/zinc/43/48/54/556434854.db2.gz NNUFXNNRFINRGN-IBGZPJMESA-N 0 0 432.571 2.826 50 0 IFAARN Cc1nc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)n(C[C@@H]2CCCO2)c1C ZINC000027956241 556435962 /nfs/dbraw/zinc/43/59/62/556435962.db2.gz MZRNSWJQALGIMC-HNNXBMFYSA-N 0 0 438.500 2.804 50 0 IFAARN O=C(Nc1nnc(-c2ccccc2)o1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000013014072 556436712 /nfs/dbraw/zinc/43/67/12/556436712.db2.gz ZNJKSKHTINKXBV-UHFFFAOYSA-N 0 0 437.481 2.536 50 0 IFAARN Cc1ccc(-c2nonc2NC(=O)c2nn([C@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 ZINC000027985920 556439096 /nfs/dbraw/zinc/43/90/96/556439096.db2.gz DLJKMMSOQMWQIF-HNNXBMFYSA-N 0 0 441.513 2.732 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000013018479 556439345 /nfs/dbraw/zinc/43/93/45/556439345.db2.gz RAJDBHAJUPISRG-ODCWNRFASA-N 0 0 446.507 2.706 50 0 IFAARN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1nc(C)c[nH]1)CC2 ZINC000014744017 556440048 /nfs/dbraw/zinc/44/00/48/556440048.db2.gz WHJSGHHRLXAKSU-UHFFFAOYSA-N 0 0 425.533 2.554 50 0 IFAARN CC[C@@H](C)CNc1cc(C(=O)NCCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014746791 556441649 /nfs/dbraw/zinc/44/16/49/556441649.db2.gz SLCHMPZVHFKGQI-GOSISDBHSA-N 0 0 447.605 2.946 50 0 IFAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc(OC)c(OC)c1)CC3 ZINC000028059500 556443351 /nfs/dbraw/zinc/44/33/51/556443351.db2.gz AVPBLMKGPBLSKM-UHFFFAOYSA-N 0 0 430.482 2.719 50 0 IFAARN COc1ccc([C@@H](CC(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)NC(C)=O)cc1 ZINC000028138435 556444003 /nfs/dbraw/zinc/44/40/03/556444003.db2.gz SMNIPFKTKNWWFC-GOSISDBHSA-N 0 0 429.860 2.667 50 0 IFAARN O=C([C@H]1CCOC1)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 ZINC000014752426 556444011 /nfs/dbraw/zinc/44/40/11/556444011.db2.gz NBAWQCXCUHNOIL-GMAHTHKFSA-N 0 0 440.515 2.661 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(N(C)C)c2)cc1 ZINC000011030655 556444240 /nfs/dbraw/zinc/44/42/40/556444240.db2.gz NYWSYKDTSFYFBW-OAHLLOKOSA-N 0 0 433.530 2.623 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000013038558 556444457 /nfs/dbraw/zinc/44/44/57/556444457.db2.gz FSNRHUZPQMPURM-KRWDZBQOSA-N 0 0 426.542 2.607 50 0 IFAARN COc1cc(NC(=O)COC(=O)c2ccc(NC(=O)C3CC3)s2)cc(OC)c1OC ZINC000011031081 556444582 /nfs/dbraw/zinc/44/45/82/556444582.db2.gz JOUAKHDKMKXBEJ-UHFFFAOYSA-N 0 0 434.470 2.918 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2)C1 ZINC000013040010 556445701 /nfs/dbraw/zinc/44/57/01/556445701.db2.gz DSMRSTVBBVSWGB-INIZCTEOSA-N 0 0 447.532 2.957 50 0 IFAARN C[C@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000032860342 556447190 /nfs/dbraw/zinc/44/71/90/556447190.db2.gz NRZVXLJPNONGEB-HOTGVXAUSA-N 0 0 428.510 2.750 50 0 IFAARN COc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)ccc1OC(F)F ZINC000013041198 556447476 /nfs/dbraw/zinc/44/74/76/556447476.db2.gz ZRSHDOQSNRQCIP-NRFANRHFSA-N 0 0 432.379 2.709 50 0 IFAARN COc1cc(CN(C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1OC(F)F ZINC000032862989 556448185 /nfs/dbraw/zinc/44/81/85/556448185.db2.gz UPWRTUCWIWGCAS-GFCCVEGCSA-N 0 0 443.472 2.847 50 0 IFAARN COCCNC(=O)CSc1ccccc1C(=O)OCC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000013058635 556449885 /nfs/dbraw/zinc/44/98/85/556449885.db2.gz FKNKQQHBAAXBRK-UHFFFAOYSA-N 0 0 446.525 2.729 50 0 IFAARN CCOc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013060218 556450508 /nfs/dbraw/zinc/45/05/08/556450508.db2.gz MIKDWEUKTGFYSM-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN CC(=O)NCCc1ccc(C(=O)COC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)s1 ZINC000032865369 556450520 /nfs/dbraw/zinc/45/05/20/556450520.db2.gz QRLVWSSDKDXYSV-HXUWFJFHSA-N 0 0 448.516 2.746 50 0 IFAARN CC(=O)Nc1nc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cs1 ZINC000013062769 556451120 /nfs/dbraw/zinc/45/11/20/556451120.db2.gz VETFYYPEGKAFDG-UHFFFAOYSA-N 0 0 449.385 2.915 50 0 IFAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)Cn1nnn(-c2cccs2)c1=O ZINC000032865605 556451150 /nfs/dbraw/zinc/45/11/50/556451150.db2.gz DNPKPNUWDXOBAN-UHFFFAOYSA-N 0 0 431.481 2.752 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc1 ZINC000013063162 556451689 /nfs/dbraw/zinc/45/16/89/556451689.db2.gz KOOPSQPXTLIAED-UHFFFAOYSA-N 0 0 441.303 2.723 50 0 IFAARN CC[C@H](C)NC(=O)COC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000013063299 556451751 /nfs/dbraw/zinc/45/17/51/556451751.db2.gz IYGHVJDSJJTHNF-AWEZNQCLSA-N 0 0 432.448 2.923 50 0 IFAARN CC(C)CCN(C(=O)COc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013063282 556451766 /nfs/dbraw/zinc/45/17/66/556451766.db2.gz XNNAFXRWAMFTID-UHFFFAOYSA-N 0 0 436.512 2.625 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)OCc3cccc(F)c3)CC2=O)cc1 ZINC000032867734 556452179 /nfs/dbraw/zinc/45/21/79/556452179.db2.gz GMVWLNBWOKQYLG-QGZVFWFLSA-N 0 0 448.516 2.953 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1OCC ZINC000013063634 556452300 /nfs/dbraw/zinc/45/23/00/556452300.db2.gz UMTLIJFKBOJWOZ-UHFFFAOYSA-N 0 0 440.496 2.884 50 0 IFAARN COc1ccc(Br)c(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1 ZINC000028324227 556452310 /nfs/dbraw/zinc/45/23/10/556452310.db2.gz CPRWMMDPUKSWNT-UHFFFAOYSA-N 0 0 438.366 2.618 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SC[C@@]2(C)NC(=O)NC2=O)cc1 ZINC000013068689 556452634 /nfs/dbraw/zinc/45/26/34/556452634.db2.gz DJXLZGCZQZYGHL-JLCFBVMHSA-N 0 0 441.509 2.869 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3nncs3)C2)s1)c1ccco1 ZINC000070020042 556453134 /nfs/dbraw/zinc/45/31/34/556453134.db2.gz AUDCLXGEFKIZSY-LLVKDONJSA-N 0 0 431.499 2.936 50 0 IFAARN Cc1cccc(C(=O)N[C@H](C(=O)O[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)C(C)C)c1 ZINC000032958280 556453977 /nfs/dbraw/zinc/45/39/77/556453977.db2.gz ZUPUOBWSICFTLD-VFNWGFHPSA-N 0 0 438.480 2.895 50 0 IFAARN CCCN(C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000013072128 556454059 /nfs/dbraw/zinc/45/40/59/556454059.db2.gz QNBUOLRNXIAQPO-IBGZPJMESA-N 0 0 433.501 2.861 50 0 IFAARN Cc1ccccc1-n1cnn(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1=S ZINC000013073613 556454646 /nfs/dbraw/zinc/45/46/46/556454646.db2.gz GBSSPSHVLUKGDZ-UHFFFAOYSA-N 0 0 447.561 2.815 50 0 IFAARN COc1ccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c(F)c1 ZINC000014886537 556455399 /nfs/dbraw/zinc/45/53/99/556455399.db2.gz OUYGBIIGIROXTI-HOYKHHGWSA-N 0 0 442.487 2.762 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000013097462 556458263 /nfs/dbraw/zinc/45/82/63/556458263.db2.gz XZBLJWJQAXVKNZ-HNNXBMFYSA-N 0 0 444.509 2.995 50 0 IFAARN CN(CCOc1ccc(Br)cc1)CC(=O)NC(=O)NCc1cccs1 ZINC000014926399 556459075 /nfs/dbraw/zinc/45/90/75/556459075.db2.gz ONRZVLIIGHLKLX-UHFFFAOYSA-N 0 0 426.336 2.847 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1CCc2ccccc21 ZINC000028721445 556459328 /nfs/dbraw/zinc/45/93/28/556459328.db2.gz YJXURVKWOHXRBS-XMMPIXPASA-N 0 0 429.524 2.551 50 0 IFAARN CNS(=O)(=O)c1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 ZINC000014942683 556459563 /nfs/dbraw/zinc/45/95/63/556459563.db2.gz ZCFZCKNCVUKUGE-LZGZYFLISA-N 0 0 447.601 2.890 50 0 IFAARN Cc1csc2nc(CN3CCNC(=O)[C@H]3c3c(C)nn(-c4ccccc4)c3C)cc(=O)n12 ZINC000028721836 556459897 /nfs/dbraw/zinc/45/98/97/556459897.db2.gz WKSVPLIOBZPROH-OAQYLSRUSA-N 0 0 448.552 2.540 50 0 IFAARN O=C1C[C@H](N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1Cc1ccccc1 ZINC000028741785 556460204 /nfs/dbraw/zinc/46/02/04/556460204.db2.gz SENLKCNRBXNDDM-SFHVURJKSA-N 0 0 432.446 2.940 50 0 IFAARN Cc1ccc(SC2CCN(C(=O)[C@H]3CCC(=O)N(CCN4CCOCC4)C3)CC2)cc1 ZINC000014956165 556462406 /nfs/dbraw/zinc/46/24/06/556462406.db2.gz CLLJJWKGNRQSOD-FQEVSTJZSA-N 0 0 445.629 2.649 50 0 IFAARN Cc1c(C(=O)N(CCO)CCO)sc2ncnc(N[C@@H]3CCCc4ccccc43)c12 ZINC000014956850 556462720 /nfs/dbraw/zinc/46/27/20/556462720.db2.gz ZKPVJDVRCIQUCE-QGZVFWFLSA-N 0 0 426.542 2.916 50 0 IFAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000013109495 556462967 /nfs/dbraw/zinc/46/29/67/556462967.db2.gz QWQVVCYMLAIGSD-GJZGRUSLSA-N 0 0 449.488 2.646 50 0 IFAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000032871403 556463106 /nfs/dbraw/zinc/46/31/06/556463106.db2.gz JRUJTHBHBSPXMB-UHFFFAOYSA-N 0 0 443.997 2.762 50 0 IFAARN O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000013109716 556463285 /nfs/dbraw/zinc/46/32/85/556463285.db2.gz RDBIMMHRRADRAV-UHFFFAOYSA-N 0 0 448.566 2.545 50 0 IFAARN O=C(NC[C@H]1OCCc2ccccc21)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000014975276 556468105 /nfs/dbraw/zinc/46/81/05/556468105.db2.gz GXCASAGGICDNDV-JOCHJYFZSA-N 0 0 431.452 2.878 50 0 IFAARN C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000029151323 556468572 /nfs/dbraw/zinc/46/85/72/556468572.db2.gz JBZINPJXWPODLS-CQSZACIVSA-N 0 0 440.928 2.598 50 0 IFAARN COc1ccc(-n2c(CCNC(=O)c3cccc(OC)c3OC)nnc2SC)cc1 ZINC000014978142 556469626 /nfs/dbraw/zinc/46/96/26/556469626.db2.gz KADIPBFFZPVGQS-UHFFFAOYSA-N 0 0 428.514 2.988 50 0 IFAARN Cc1cc(C)c(CNC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c(=O)[nH]1 ZINC000013117312 556469861 /nfs/dbraw/zinc/46/98/61/556469861.db2.gz XAOHGYNVDUWMSJ-UHFFFAOYSA-N 0 0 426.523 2.808 50 0 IFAARN CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1 ZINC000013117948 556471061 /nfs/dbraw/zinc/47/10/61/556471061.db2.gz VVMAQNLSTRIKHM-AWEZNQCLSA-N 0 0 447.509 2.963 50 0 IFAARN COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCC3)cc1S(=O)(=O)NC1CC1 ZINC000013119818 556471970 /nfs/dbraw/zinc/47/19/70/556471970.db2.gz PGRNUFFYSFOSHH-UHFFFAOYSA-N 0 0 429.494 2.664 50 0 IFAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1 ZINC000013120035 556471984 /nfs/dbraw/zinc/47/19/84/556471984.db2.gz VDMAYIDYMXYLCT-UHFFFAOYSA-N 0 0 444.451 2.941 50 0 IFAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000013119963 556472007 /nfs/dbraw/zinc/47/20/07/556472007.db2.gz BARRZMOXANOAHV-UHFFFAOYSA-N 0 0 448.504 2.703 50 0 IFAARN COc1cccc(C(=O)COC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000011050707 556472041 /nfs/dbraw/zinc/47/20/41/556472041.db2.gz PUWHOTLIZZQVDY-UHFFFAOYSA-N 0 0 427.478 2.943 50 0 IFAARN COc1ccc(CCNc2ncnc3sc(C(=O)N4CCC[C@H]4C(N)=O)c(C)c32)cc1 ZINC000014985129 556472252 /nfs/dbraw/zinc/47/22/52/556472252.db2.gz XGWGPFHXFGDIRH-INIZCTEOSA-N 0 0 439.541 2.753 50 0 IFAARN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000029361944 556473295 /nfs/dbraw/zinc/47/32/95/556473295.db2.gz FNUGVEZSHOTWMO-CQSZACIVSA-N 0 0 426.330 2.747 50 0 IFAARN CCCN1CCN(C(=O)[C@@H]2Cc3nc(NC(=O)c4cccs4)sc3C(=O)C2)CC1 ZINC000014987806 556473382 /nfs/dbraw/zinc/47/33/82/556473382.db2.gz CSDRDMCVWHHVSS-CYBMUJFWSA-N 0 0 432.571 2.756 50 0 IFAARN COc1ccccc1CCC(=O)Nc1cnn(CC(=O)N(C)CC[C@@H]2CCCCO2)c1 ZINC000014989364 556474074 /nfs/dbraw/zinc/47/40/74/556474074.db2.gz DRIFATYHPXQFEG-FQEVSTJZSA-N 0 0 428.533 2.881 50 0 IFAARN COCCN1C(=O)C[C@@](CC(=O)NC2C3CC4CC(C3)CC2C4)(c2ccccc2C)C1=O ZINC000014990323 556474298 /nfs/dbraw/zinc/47/42/98/556474298.db2.gz DZYVFUAIUJVSPG-VQYQVCMRSA-N 0 0 438.568 2.969 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc(F)cc1 ZINC000013121623 556474472 /nfs/dbraw/zinc/47/44/72/556474472.db2.gz HSRQWBBXJWXGMA-UHFFFAOYSA-N 0 0 440.518 2.586 50 0 IFAARN NC(=O)Cn1c(CSc2nc(C3CC3)n(-c3ccccc3)n2)nc2ccccc2c1=O ZINC000013126774 556475409 /nfs/dbraw/zinc/47/54/09/556475409.db2.gz ZFBXPEUYIZUNDW-UHFFFAOYSA-N 0 0 432.509 2.632 50 0 IFAARN Cc1ccc(NC(=O)CN(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000029464444 556475794 /nfs/dbraw/zinc/47/57/94/556475794.db2.gz XPYOTKWNMAMYQM-UHFFFAOYSA-N 0 0 449.555 2.967 50 0 IFAARN COC(=O)CCCNC(=O)CC[C@]1(Cc2ccc(OC)c3ccccc23)CCC(=O)N1 ZINC000014995217 556477523 /nfs/dbraw/zinc/47/75/23/556477523.db2.gz FXCVUPVALAQVLM-XMMPIXPASA-N 0 0 426.513 2.889 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccnc(N4CCCC4)c3)C2)s1 ZINC000029559211 556477865 /nfs/dbraw/zinc/47/78/65/556477865.db2.gz UNYDSEPDFXLLON-SFHVURJKSA-N 0 0 448.614 2.769 50 0 IFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc2c(c1)CCC2 ZINC000013129441 556479137 /nfs/dbraw/zinc/47/91/37/556479137.db2.gz NVBWOKZIZQXKSC-UHFFFAOYSA-N 0 0 448.566 2.819 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000013133050 556481042 /nfs/dbraw/zinc/48/10/42/556481042.db2.gz IDOKZVLWQAAHJT-KXBFYZLASA-N 0 0 434.514 2.610 50 0 IFAARN Cc1cnc(N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccncc4)cc3)CC2)s1 ZINC000072288487 556481536 /nfs/dbraw/zinc/48/15/36/556481536.db2.gz FNZGNNYDWFJNQV-UHFFFAOYSA-N 0 0 443.554 2.610 50 0 IFAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[C@H]1CCCN(c2cnccn2)C1 ZINC000029754360 556481589 /nfs/dbraw/zinc/48/15/89/556481589.db2.gz CZAMDDXCMZPWKX-AWEZNQCLSA-N 0 0 437.422 2.689 50 0 IFAARN CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000072289164 556483469 /nfs/dbraw/zinc/48/34/69/556483469.db2.gz NAGCIUHWWXJAHU-ZDUSSCGKSA-N 0 0 446.891 2.745 50 0 IFAARN Cc1ccccc1-c1noc(CN2CCN(C(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)CC2)n1 ZINC000029835562 556483831 /nfs/dbraw/zinc/48/38/31/556483831.db2.gz RAEVRCBKDSLVSM-LJQANCHMSA-N 0 0 449.486 2.954 50 0 IFAARN CC(=O)NCCc1ccc(C(=O)COC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)s1 ZINC000029848336 556484172 /nfs/dbraw/zinc/48/41/72/556484172.db2.gz QRLVWSSDKDXYSV-FQEVSTJZSA-N 0 0 448.516 2.746 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCc2cccc3cccnc32)cc1C ZINC000029851369 556484505 /nfs/dbraw/zinc/48/45/05/556484505.db2.gz LKCAHIQQTOODTI-FPOVZHCZSA-N 0 0 440.521 2.719 50 0 IFAARN O=C(CNC(=O)Cc1cccc2ccccc21)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000013138043 556485073 /nfs/dbraw/zinc/48/50/73/556485073.db2.gz QJKNQGMWXOEKOU-DEOSSOPVSA-N 0 0 449.526 2.827 50 0 IFAARN O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000029899766 556485836 /nfs/dbraw/zinc/48/58/36/556485836.db2.gz PFYKZDYVEXTBNT-CYBMUJFWSA-N 0 0 444.376 2.623 50 0 IFAARN CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@]12c1ccccc1N(C)C2=O ZINC000015016872 556486220 /nfs/dbraw/zinc/48/62/20/556486220.db2.gz KHFTVYPLENXFQP-DEOSSOPVSA-N 0 0 430.464 2.569 50 0 IFAARN O=S(=O)(c1cccc(-c2nnc(SCCOc3ccccc3)o2)c1)N1CCOCC1 ZINC000013141198 556486642 /nfs/dbraw/zinc/48/66/42/556486642.db2.gz XCBGXJQPVXHZMH-UHFFFAOYSA-N 0 0 447.538 2.929 50 0 IFAARN COC(=O)c1sc(NC(=O)CSc2nnc3n2CCCCC3)c(C(=O)OC)c1C ZINC000013141535 556486972 /nfs/dbraw/zinc/48/69/72/556486972.db2.gz RYXGCJLCZMECLV-UHFFFAOYSA-N 0 0 438.531 2.678 50 0 IFAARN Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000015019699 556487757 /nfs/dbraw/zinc/48/77/57/556487757.db2.gz GHBQEWSXAIIKKK-UHFFFAOYSA-N 0 0 449.533 2.651 50 0 IFAARN O=C([C@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCN(c2nccs2)CC1 ZINC000029986891 556488208 /nfs/dbraw/zinc/48/82/08/556488208.db2.gz GFRDVMYCTUEYLU-ZDUSSCGKSA-N 0 0 435.347 2.607 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCN(c2nccs2)CC1 ZINC000029986892 556488241 /nfs/dbraw/zinc/48/82/41/556488241.db2.gz GFRDVMYCTUEYLU-CYBMUJFWSA-N 0 0 435.347 2.607 50 0 IFAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1 ZINC000029992255 556488566 /nfs/dbraw/zinc/48/85/66/556488566.db2.gz DWTZAPXJIORQTD-LJQANCHMSA-N 0 0 441.919 2.602 50 0 IFAARN COc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCOCC2)cc1 ZINC000029993396 556488613 /nfs/dbraw/zinc/48/86/13/556488613.db2.gz KGOYATRMTQLMTA-REWPJTCUSA-N 0 0 437.540 2.546 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCC2 ZINC000013148299 556489737 /nfs/dbraw/zinc/48/97/37/556489737.db2.gz VESFLNJPFDGEBI-ZDUSSCGKSA-N 0 0 436.555 2.980 50 0 IFAARN Cc1csc(=O)n1CCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000030063345 556490254 /nfs/dbraw/zinc/49/02/54/556490254.db2.gz ZMZMSDMEMXHYLN-UHFFFAOYSA-N 0 0 449.598 2.762 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCCn3cccn3)CC2)c1C ZINC000030171959 556491058 /nfs/dbraw/zinc/49/10/58/556491058.db2.gz KKENTEYFJJDFNF-UHFFFAOYSA-N 0 0 432.590 2.724 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ncnc3sc4c(c32)CCCC4)c1 ZINC000013149474 556491034 /nfs/dbraw/zinc/49/10/34/556491034.db2.gz DWPVJVGNOGQILC-UHFFFAOYSA-N 0 0 446.554 2.838 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 ZINC000030220516 556491528 /nfs/dbraw/zinc/49/15/28/556491528.db2.gz DUZRMICIYLDCEM-QFIPXVFZSA-N 0 0 438.553 2.709 50 0 IFAARN CCc1noc(C)c1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000015064879 556492104 /nfs/dbraw/zinc/49/21/04/556492104.db2.gz PRVDPQUEGKQMTF-IBGZPJMESA-N 0 0 439.560 2.922 50 0 IFAARN CCCS(=O)(=O)c1ncc(CN(C)Cc2nc3ccccc3[nH]2)n1C[C@@H]1CCCO1 ZINC000015065398 556492520 /nfs/dbraw/zinc/49/25/20/556492520.db2.gz QZCPDNHSIGAHKH-KRWDZBQOSA-N 0 0 431.562 2.754 50 0 IFAARN COc1cc(C(=O)NCc2cccnc2N2CCOCC2)ccc1OCc1cscn1 ZINC000030309682 556492641 /nfs/dbraw/zinc/49/26/41/556492641.db2.gz WYQUHGGGTQJGEX-UHFFFAOYSA-N 0 0 440.525 2.892 50 0 IFAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OCC)C(=O)C[C@]1(C)O ZINC000013154660 556493293 /nfs/dbraw/zinc/49/32/93/556493293.db2.gz NTNFVQUAJMSDFP-RCJHGTSTSA-N 0 0 427.291 2.615 50 0 IFAARN CCOc1ccccc1-n1nnnc1SCc1c(C(=O)OC)sc(N)c1C(=O)OC ZINC000013163728 556494493 /nfs/dbraw/zinc/49/44/93/556494493.db2.gz NTDBRWXVBIKIFU-UHFFFAOYSA-N 0 0 449.514 2.570 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C)Cn2nc(C)cc2C)cc1OC1CCN(C(C)=O)CC1 ZINC000015069811 556495057 /nfs/dbraw/zinc/49/50/57/556495057.db2.gz UDDGDFRIQYMUSW-INIZCTEOSA-N 0 0 428.533 2.717 50 0 IFAARN O=C(CCc1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000013164056 556495327 /nfs/dbraw/zinc/49/53/27/556495327.db2.gz XERQBKYRGVDZCJ-IBGZPJMESA-N 0 0 437.521 2.740 50 0 IFAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000013164950 556497627 /nfs/dbraw/zinc/49/76/27/556497627.db2.gz IWYSFFGPXBKZGY-STQMWFEESA-N 0 0 445.570 2.545 50 0 IFAARN O=C(c1coc(CN2CCN(c3ncccn3)CC2)n1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000015074816 556498503 /nfs/dbraw/zinc/49/85/03/556498503.db2.gz WBKDWPPXMRMFHM-SFHVURJKSA-N 0 0 436.491 2.556 50 0 IFAARN O=C(CSc1n[nH]c(COc2ccc(Cl)cc2)n1)N1CCN(c2ccccn2)CC1 ZINC000030592201 556499051 /nfs/dbraw/zinc/49/90/51/556499051.db2.gz MXSWXCFUHPFXJZ-UHFFFAOYSA-N 0 0 444.948 2.873 50 0 IFAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)C2CCN(C(C)=O)CC2)C1 ZINC000015075398 556499208 /nfs/dbraw/zinc/49/92/08/556499208.db2.gz DVBKWRIDWWUCFI-HSZRJFAPSA-N 0 0 436.499 2.938 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)OCc1ccccn1 ZINC000030613242 556499657 /nfs/dbraw/zinc/49/96/57/556499657.db2.gz NHXBDHZNEZXATK-INIZCTEOSA-N 0 0 427.320 2.890 50 0 IFAARN COC(=O)c1ccccc1-n1ncc(NC[C@@H]2COc3ccccc3O2)c(Cl)c1=O ZINC000030619553 556500077 /nfs/dbraw/zinc/50/00/77/556500077.db2.gz ZHRQUGKMBKSTGV-CYBMUJFWSA-N 0 0 427.844 2.924 50 0 IFAARN CN(Cc1nc2ccccc2[nH]1)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000030658625 556500988 /nfs/dbraw/zinc/50/09/88/556500988.db2.gz XSJMSMBEZMFRFR-UHFFFAOYSA-N 0 0 448.495 2.900 50 0 IFAARN C[C@@H](CNS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1)OC12CC3CC(CC(C3)C1)C2 ZINC000015081315 556501160 /nfs/dbraw/zinc/50/11/60/556501160.db2.gz LENCUNYTTMYRJV-QOUGREHBSA-N 0 0 432.586 2.942 50 0 IFAARN CCOc1ccc(C(=O)NCCNC(=O)c2nc(-c3ccc(F)cc3)no2)cc1OCC ZINC000015082003 556501384 /nfs/dbraw/zinc/50/13/84/556501384.db2.gz MMOSVMUMOSENNK-UHFFFAOYSA-N 0 0 442.447 2.833 50 0 IFAARN COc1ccc(-n2nc(C(=O)N3CCN(c4ncccn4)CC3)nc2-c2ccccc2)cc1 ZINC000015108434 556504535 /nfs/dbraw/zinc/50/45/35/556504535.db2.gz GWPLBIKEIKNNBP-UHFFFAOYSA-N 0 0 441.495 2.695 50 0 IFAARN Cc1ccc(NCC(=O)Nc2ccc(F)cc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000015123431 556504895 /nfs/dbraw/zinc/50/48/95/556504895.db2.gz ZYFGPNQTFKWDFM-UHFFFAOYSA-N 0 0 441.912 2.859 50 0 IFAARN O=S(=O)(c1ccc(Nc2ccc3c(c2)nc2n3CCCCC2)nc1)N1CCOCC1 ZINC000015115094 556504965 /nfs/dbraw/zinc/50/49/65/556504965.db2.gz VVMMJUAJMLEXTM-UHFFFAOYSA-N 0 0 427.530 2.922 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc4ccccc4n3C)CC2)cc1C ZINC000015132358 556505516 /nfs/dbraw/zinc/50/55/16/556505516.db2.gz JIHVROZORJTMKO-UHFFFAOYSA-N 0 0 440.569 2.907 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015136158 556505838 /nfs/dbraw/zinc/50/58/38/556505838.db2.gz DIDPQQTWXRCGCC-KRWDZBQOSA-N 0 0 444.532 2.701 50 0 IFAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCn2c3ccccc3nc21 ZINC000030795715 556506076 /nfs/dbraw/zinc/50/60/76/556506076.db2.gz HAKWYIIXZTXGKO-UHFFFAOYSA-N 0 0 438.285 2.946 50 0 IFAARN CC(C)CC(=O)Nc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1 ZINC000030807439 556506180 /nfs/dbraw/zinc/50/61/80/556506180.db2.gz IGPMYWQBNDRMCO-LJQANCHMSA-N 0 0 425.464 2.869 50 0 IFAARN Cc1c(NC(=O)CSc2nnc(-c3cnccn3)s2)c(=O)n(-c2ccccc2)n1C ZINC000013495698 556509082 /nfs/dbraw/zinc/50/90/82/556509082.db2.gz JENAAGTXYCQBRP-UHFFFAOYSA-N 0 0 439.526 2.524 50 0 IFAARN COc1cc(OC)c(NC(=O)COc2ccccc2C(=O)N2CCOCC2)cc1Cl ZINC000032883592 556509553 /nfs/dbraw/zinc/50/95/53/556509553.db2.gz UGARAAYNJKMIOB-UHFFFAOYSA-N 0 0 434.876 2.847 50 0 IFAARN CCOC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000013514146 556511159 /nfs/dbraw/zinc/51/11/59/556511159.db2.gz NADAJMCAIACFHW-UHFFFAOYSA-N 0 0 431.901 2.811 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)NN=c3[nH]cc(C(F)(F)F)cc3Cl)ccc21 ZINC000015243784 556513300 /nfs/dbraw/zinc/51/33/00/556513300.db2.gz RCTJNIFZJAHMQJ-UHFFFAOYSA-N 0 0 434.827 2.968 50 0 IFAARN COc1cccc(Cn2nccc2NC(=O)CCN2C(=O)c3ccccc3C2=O)c1OC ZINC000015238737 556513330 /nfs/dbraw/zinc/51/33/30/556513330.db2.gz LBJRMMKAUJQIGP-UHFFFAOYSA-N 0 0 434.452 2.573 50 0 IFAARN Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1C ZINC000015245295 556513612 /nfs/dbraw/zinc/51/36/12/556513612.db2.gz HGGKFARIOZHVIN-GAJHUEQPSA-N 0 0 426.469 2.547 50 0 IFAARN CCN1c2ccccc2/C(=c2/sc3nc(-c4ccc(OC(C)C)cc4)nn3c2=O)C1=O ZINC000013550824 556515025 /nfs/dbraw/zinc/51/50/25/556515025.db2.gz MUDFCUCLRNWCPF-HNENSFHCSA-N 0 0 432.505 2.890 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c1 ZINC000015284863 556516089 /nfs/dbraw/zinc/51/60/89/556516089.db2.gz VKZFDOWRNGSJIG-QGZVFWFLSA-N 0 0 429.498 2.851 50 0 IFAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)NCCN1CCOCC1 ZINC000013557219 556517199 /nfs/dbraw/zinc/51/71/99/556517199.db2.gz BBHPFQAAUUYDKZ-UHFFFAOYSA-N 0 0 442.899 2.941 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl ZINC000013565493 556518564 /nfs/dbraw/zinc/51/85/64/556518564.db2.gz CCRHYVMSAQRRPE-UHFFFAOYSA-N 0 0 431.297 2.805 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(C(C)(C)C)ccc2OC)c1 ZINC000015317012 556518937 /nfs/dbraw/zinc/51/89/37/556518937.db2.gz GVLVIXFEAWOTES-UHFFFAOYSA-N 0 0 449.573 2.824 50 0 IFAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(=O)N[C@@H](C)c1nncn1C ZINC000072296088 556520840 /nfs/dbraw/zinc/52/08/40/556520840.db2.gz LETOJNBQVLGWMX-LBPRGKRZSA-N 0 0 427.486 2.536 50 0 IFAARN COC(=O)c1ccc(CNC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)cc1 ZINC000032893340 556521051 /nfs/dbraw/zinc/52/10/51/556521051.db2.gz WGWJECNNTLZYAY-UHFFFAOYSA-N 0 0 440.525 2.643 50 0 IFAARN CCOC(=O)c1sc(NC(=O)CSc2nc(OC)cc(=O)[nH]2)nc1-c1ccccc1 ZINC000013570098 556521527 /nfs/dbraw/zinc/52/15/27/556521527.db2.gz XFKCOBPDYRFWCI-UHFFFAOYSA-N 0 0 446.510 2.810 50 0 IFAARN CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(OC)cc3OC)C2=O)cc1 ZINC000015333401 556521912 /nfs/dbraw/zinc/52/19/12/556521912.db2.gz HAYUJDHRULTSEC-QFIPXVFZSA-N 0 0 427.457 2.508 50 0 IFAARN O=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000015345102 556522199 /nfs/dbraw/zinc/52/21/99/556522199.db2.gz WBMNIDHKOHAONU-UHFFFAOYSA-N 0 0 439.537 2.716 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)CC(=O)NC(C)C)cc1 ZINC000072296916 556522579 /nfs/dbraw/zinc/52/25/79/556522579.db2.gz JNHDBGFDWUQWPK-KRWDZBQOSA-N 0 0 431.558 2.935 50 0 IFAARN COc1cc(C(=O)N2CCN(c3nc(C)ns3)CC2)cc(OC)c1Br ZINC000072298025 556523377 /nfs/dbraw/zinc/52/33/77/556523377.db2.gz ZOXQVFKUNRUGBV-UHFFFAOYSA-N 0 0 427.324 2.589 50 0 IFAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000015388755 556523961 /nfs/dbraw/zinc/52/39/61/556523961.db2.gz NSXYXHYXGGLPEV-UHFFFAOYSA-N 0 0 435.933 2.835 50 0 IFAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCN(S(C)(=O)=O)CC3)ccc21 ZINC000015400947 556524577 /nfs/dbraw/zinc/52/45/77/556524577.db2.gz HDFRGHVTQDYXLO-MRXNPFEDSA-N 0 0 428.558 2.719 50 0 IFAARN CN(CC(F)F)C1CCN(C(=O)[C@H]2CSCN2C(=O)c2c[nH]c3ccccc23)CC1 ZINC000072301415 556524746 /nfs/dbraw/zinc/52/47/46/556524746.db2.gz JRBKRGUMRJPOOE-GOSISDBHSA-N 0 0 436.528 2.871 50 0 IFAARN COc1cc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)cc(OC)c1O ZINC000031861686 556527569 /nfs/dbraw/zinc/52/75/69/556527569.db2.gz HMMFKXIBIIUASW-DFTDMARZSA-N 0 0 429.469 2.957 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(Cc1ccco1)Cc1ccco1 ZINC000015448567 556528847 /nfs/dbraw/zinc/52/88/47/556528847.db2.gz KUZANQRGKKDVFU-UHFFFAOYSA-N 0 0 447.513 2.772 50 0 IFAARN COC(=O)Cn1c2c3c(sc2c(=O)n(-c2cccc(Cl)c2)c1=O)CC(C)(C)OC3 ZINC000013593304 556531320 /nfs/dbraw/zinc/53/13/20/556531320.db2.gz KDBQBPQFIJDFAA-UHFFFAOYSA-N 0 0 434.901 2.892 50 0 IFAARN O=C1Nc2ccc(Br)cc2[C@H]1Cc1nc2ccccc2c(=O)n1CCCO ZINC000013607937 556533613 /nfs/dbraw/zinc/53/36/13/556533613.db2.gz YFGOUXAVVUCHTP-OAHLLOKOSA-N 0 0 428.286 2.820 50 0 IFAARN COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000015560018 556534608 /nfs/dbraw/zinc/53/46/08/556534608.db2.gz IVVKXJYDQJAOEB-UHFFFAOYSA-N 0 0 428.963 2.876 50 0 IFAARN CCOc1ccc(C(=O)OCC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OCC ZINC000015565837 556535391 /nfs/dbraw/zinc/53/53/91/556535391.db2.gz YBQKHFMERJEHSS-UHFFFAOYSA-N 0 0 435.498 2.920 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CCc2c(C)nc(SCc3ccccc3)[nH]c2=O)CC1 ZINC000032901645 556536754 /nfs/dbraw/zinc/53/67/54/556536754.db2.gz QBJBJYWMJSHCOD-UHFFFAOYSA-N 0 0 444.557 2.604 50 0 IFAARN COc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc(OC)c1 ZINC000032901735 556537384 /nfs/dbraw/zinc/53/73/84/556537384.db2.gz BPJJKDCESJCDLT-GJZGRUSLSA-N 0 0 430.457 2.719 50 0 IFAARN Cn1c(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc2n(C)c1=O ZINC000032901990 556538638 /nfs/dbraw/zinc/53/86/38/556538638.db2.gz KPEJIYZIIZGONQ-UHFFFAOYSA-N 0 0 446.307 2.922 50 0 IFAARN CC(C)N1C[C@H]([NH2+]Cc2cc(F)ccc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000032561069 556540781 /nfs/dbraw/zinc/54/07/81/556540781.db2.gz KPHRRHXSHCZLTE-CTNGQTDRSA-N 0 0 445.510 2.993 50 0 IFAARN COc1cc(C(=O)Nc2ccc(Br)cc2F)cc(OC)c1OCC(N)=O ZINC000015657966 556540893 /nfs/dbraw/zinc/54/08/93/556540893.db2.gz DGSTXDYIZWYJAE-UHFFFAOYSA-N 0 0 427.226 2.722 50 0 IFAARN CCn1c(SCC(=O)N2CCOCC2)nnc1[C@H](NC(=O)c1ccccc1F)C(C)C ZINC000032579299 556541327 /nfs/dbraw/zinc/54/13/27/556541327.db2.gz IANQMUQCDPLCPC-GOSISDBHSA-N 0 0 449.552 2.515 50 0 IFAARN COC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)CCn1cnc2ccccc2c1=O ZINC000032902964 556541938 /nfs/dbraw/zinc/54/19/38/556541938.db2.gz VCMQKFGESMTOMV-UHFFFAOYSA-N 0 0 447.394 2.822 50 0 IFAARN COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCC(=O)N3CCCC3)n2)cc1 ZINC000013642469 556542631 /nfs/dbraw/zinc/54/26/31/556542631.db2.gz IVZMZUDNIAPQRQ-UHFFFAOYSA-N 0 0 443.447 2.957 50 0 IFAARN COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccccc3SC)=C2)c1 ZINC000015673500 556542669 /nfs/dbraw/zinc/54/26/69/556542669.db2.gz UDLXTLMHASRURR-UHFFFAOYSA-N 0 0 447.538 2.928 50 0 IFAARN CC[C@@H](C)NC(=O)Cc1ccc(-n2c(=O)c3ccc(C(=O)OC)cc3[nH]c2=S)cc1 ZINC000032959270 556545912 /nfs/dbraw/zinc/54/59/12/556545912.db2.gz AGWZWDASFBWAHJ-CYBMUJFWSA-N 0 0 425.510 2.918 50 0 IFAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(CC(=O)NCC(C)C)cc1)c2=O ZINC000032959269 556546010 /nfs/dbraw/zinc/54/60/10/556546010.db2.gz CAVAIWMBHHRFFG-UHFFFAOYSA-N 0 0 425.510 2.776 50 0 IFAARN C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(N)=O ZINC000004574700 556546528 /nfs/dbraw/zinc/54/65/28/556546528.db2.gz NLTGCWQJVYQJHP-JXFKEZNVSA-N 0 0 441.528 2.691 50 0 IFAARN O=C(Nc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1)c1cccs1 ZINC000032722131 556547769 /nfs/dbraw/zinc/54/77/69/556547769.db2.gz QXPVJZMHNXJDLG-MSOLQXFVSA-N 0 0 448.566 2.809 50 0 IFAARN CCn1c2ccccc2n(CC(=O)Nc2ncc(I)cc2C)c1=O ZINC000072304678 556549276 /nfs/dbraw/zinc/54/92/76/556549276.db2.gz RPQVIRFSDRXUKZ-UHFFFAOYSA-N 0 0 436.253 2.770 50 0 IFAARN Cc1noc(C)c1CN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccccc1 ZINC000022968114 556556180 /nfs/dbraw/zinc/55/61/80/556556180.db2.gz LIXWNEWAVSZGBR-UHFFFAOYSA-N 0 0 432.488 2.574 50 0 IFAARN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2C)[NH+]2CCCC2)cc1 ZINC000071281993 556559399 /nfs/dbraw/zinc/55/93/99/556559399.db2.gz ZCOCTWZTJKOCNB-HXUWFJFHSA-N 0 0 425.485 2.594 50 0 IFAARN COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3ccccc3F)[nH]c2=O)cc1 ZINC000015882034 556560938 /nfs/dbraw/zinc/56/09/38/556560938.db2.gz TZADAQFXAFABTI-UHFFFAOYSA-N 0 0 426.433 2.770 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc(C)cc1 ZINC000015892527 556561533 /nfs/dbraw/zinc/56/15/33/556561533.db2.gz BJMMMZONRWLNMU-UHFFFAOYSA-N 0 0 436.555 2.755 50 0 IFAARN COc1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000015898365 556562252 /nfs/dbraw/zinc/56/22/52/556562252.db2.gz KJVCWLRRHINWCD-UHFFFAOYSA-N 0 0 448.541 2.741 50 0 IFAARN O=C(c1ccccc1O)N1CCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000072308215 556564676 /nfs/dbraw/zinc/56/46/76/556564676.db2.gz KDJCDXBALDKTSF-GOSISDBHSA-N 0 0 433.430 2.974 50 0 IFAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000015929468 556565172 /nfs/dbraw/zinc/56/51/72/556565172.db2.gz STRFTXSQJJABTH-UHFFFAOYSA-N 0 0 435.354 2.967 50 0 IFAARN C[C@H]1CN(CC(=O)NC[C@@H]2CCS(=O)(=O)C2)c2ccccc2N(Cc2ccccc2)C1 ZINC000072308699 556566766 /nfs/dbraw/zinc/56/67/66/556566766.db2.gz AMIVIOXLGKSOEE-CTNGQTDRSA-N 0 0 441.597 2.700 50 0 IFAARN C[C@@H]1CN(CC(=O)NC[C@@H]2CCS(=O)(=O)C2)c2ccccc2N(Cc2ccccc2)C1 ZINC000072308700 556566808 /nfs/dbraw/zinc/56/68/08/556566808.db2.gz AMIVIOXLGKSOEE-FPOVZHCZSA-N 0 0 441.597 2.700 50 0 IFAARN Cc1ccc2c(c1)n(S(=O)(=O)c1cccs1)c(=O)n2S(=O)(=O)c1ccsc1 ZINC000002854990 556572678 /nfs/dbraw/zinc/57/26/78/556572678.db2.gz MYEREGTZIDULSX-UHFFFAOYSA-N 0 0 440.549 2.708 50 0 aggregator IFAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000000780381 556573541 /nfs/dbraw/zinc/57/35/41/556573541.db2.gz RSBZHOGKVJWSSD-GOSISDBHSA-N 0 0 429.523 2.906 50 0 IFAARN CCOC(=O)[C@@H]1[C@H](c2ccc(Br)s2)[C@H](C(=O)OCC)C(=O)C[C@]1(C)O ZINC000016948854 556575767 /nfs/dbraw/zinc/57/57/67/556575767.db2.gz FGLPPEJNDKWGHU-WVZRYYJFSA-N 0 0 433.320 2.677 50 0 IFAARN O=C(CSCc1cc(=O)n2ccsc2n1)NCc1ccccc1Cn1ccnc1 ZINC000032909628 556576559 /nfs/dbraw/zinc/57/65/59/556576559.db2.gz XNZADEFOURLHOR-UHFFFAOYSA-N 0 0 425.539 2.550 50 0 IFAARN CCOc1ccccc1C(=O)NCCN1CCN(C(=O)c2ccccc2OCC)CC1 ZINC000020166549 556576789 /nfs/dbraw/zinc/57/67/89/556576789.db2.gz JTHJAKKKSPCFHN-UHFFFAOYSA-N 0 0 425.529 2.672 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(=O)[nH]c2)c1 ZINC000016043383 556578415 /nfs/dbraw/zinc/57/84/15/556578415.db2.gz AYTQTTWLKSVWJF-UHFFFAOYSA-N 0 0 427.482 2.851 50 0 IFAARN COc1ccc([C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)N2CCOCC2)cc1 ZINC000016045427 556579308 /nfs/dbraw/zinc/57/93/08/556579308.db2.gz PGDPJKNMADOCOZ-PMACEKPBSA-N 0 0 443.569 2.551 50 0 IFAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(I)c2)C1=O ZINC000016046082 556579933 /nfs/dbraw/zinc/57/99/33/556579933.db2.gz NZFGKNPAGCSEEM-SFHVURJKSA-N 0 0 449.248 2.697 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nnc(Cc3ccccc3)s2)C1=O ZINC000016046649 556580345 /nfs/dbraw/zinc/58/03/45/556580345.db2.gz UEYKCNYXIXQFMB-JOCHJYFZSA-N 0 0 435.509 2.925 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)CC1 ZINC000016051014 556581215 /nfs/dbraw/zinc/58/12/15/556581215.db2.gz LCSFGXYBWZYLIS-UHFFFAOYSA-N 0 0 439.925 2.527 50 0 IFAARN O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000016071172 556581624 /nfs/dbraw/zinc/58/16/24/556581624.db2.gz VBKPRPFWDAHVJC-UHFFFAOYSA-N 0 0 440.525 2.600 50 0 IFAARN C[C@@H](OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000032911178 556582207 /nfs/dbraw/zinc/58/22/07/556582207.db2.gz MHBIIAJVTZQTCG-LLVKDONJSA-N 0 0 435.358 2.691 50 0 IFAARN NC(=O)[C@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c2ccccc2O1 ZINC000016097472 556582662 /nfs/dbraw/zinc/58/26/62/556582662.db2.gz LUXITYKLSMRIHT-HXUWFJFHSA-N 0 0 425.448 2.827 50 0 IFAARN Cc1c(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)sc2[nH]c(C)nc(=O)c12 ZINC000016097231 556582785 /nfs/dbraw/zinc/58/27/85/556582785.db2.gz VUYAJQMSWFVZPI-UHFFFAOYSA-N 0 0 437.380 2.718 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1C ZINC000034854166 556583844 /nfs/dbraw/zinc/58/38/44/556583844.db2.gz KMCSFXCVVBBZMC-UHFFFAOYSA-N 0 0 427.570 2.737 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)Nc1cccc(F)c1 ZINC000034866193 556584684 /nfs/dbraw/zinc/58/46/84/556584684.db2.gz NCXBIUCXFTURTE-UHFFFAOYSA-N 0 0 445.438 2.790 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000016215276 556591661 /nfs/dbraw/zinc/59/16/61/556591661.db2.gz YZNYLENACZXUCU-UHFFFAOYSA-N 0 0 446.569 2.951 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc(C(=O)OC)c1 ZINC000032913002 556593733 /nfs/dbraw/zinc/59/37/33/556593733.db2.gz AHLXMDJRAQLUIE-LBPRGKRZSA-N 0 0 432.864 2.558 50 0 IFAARN COc1ccc(/C=C/C(=O)NCCN2CCN(C(=O)/C=C/c3ccc(OC)cc3)CC2)cc1 ZINC000016246724 556594016 /nfs/dbraw/zinc/59/40/16/556594016.db2.gz DWIQMYDAFYTOQN-FNCQTZNRSA-N 0 0 449.551 2.691 50 0 IFAARN CCOC(=O)C1C(CN(C)Cc2nc3ccccc3n2C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000072312002 556596010 /nfs/dbraw/zinc/59/60/10/556596010.db2.gz JYHWDWKAHQDFIS-JOCHJYFZSA-N 0 0 433.512 2.876 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000036351202 556597069 /nfs/dbraw/zinc/59/70/69/556597069.db2.gz OGYXNURAVRCPQT-UHFFFAOYSA-N 0 0 437.949 2.602 50 0 IFAARN Cc1c(OCC(=O)N2CCN(Cc3ccncc3)CC2)ccc2c3c(c(=O)oc12)CCC3 ZINC000036352965 556597242 /nfs/dbraw/zinc/59/72/42/556597242.db2.gz IUPQUWMIVBRWKZ-UHFFFAOYSA-N 0 0 433.508 2.708 50 0 IFAARN CCOC(=O)c1ccc(COC(=O)CN2C(=O)c3ccccc3C2=O)c(Br)c1 ZINC000016320068 556600134 /nfs/dbraw/zinc/60/01/34/556600134.db2.gz REYDHXSGCQPASS-UHFFFAOYSA-N 0 0 446.253 2.965 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnnn2Cc2ccc(OC)cc2)c1C ZINC000016369073 556603564 /nfs/dbraw/zinc/60/35/64/556603564.db2.gz CADHAHBZNMONTM-CYBMUJFWSA-N 0 0 429.502 2.825 50 0 IFAARN O=C(CCC(=O)c1cccs1)NCCC(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000016368441 556603598 /nfs/dbraw/zinc/60/35/98/556603598.db2.gz PYGXLKLPRYLPQW-OAQYLSRUSA-N 0 0 428.510 2.780 50 0 IFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)NCCc3ccccc3)s2)cc1 ZINC000032987375 556607377 /nfs/dbraw/zinc/60/73/77/556607377.db2.gz ACWKGBRQMQWOHN-UHFFFAOYSA-N 0 0 426.498 2.675 50 0 IFAARN CCn1c2ccc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)cc2[nH]c(=O)c1=O ZINC000032988524 556608772 /nfs/dbraw/zinc/60/87/72/556608772.db2.gz FFVXQYGYDNDAJF-HXUWFJFHSA-N 0 0 440.931 2.930 50 0 IFAARN O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)N1CCN(c2ccccn2)CC1 ZINC000032995287 556610455 /nfs/dbraw/zinc/61/04/55/556610455.db2.gz JVPKDZMJBUYXTL-UHFFFAOYSA-N 0 0 436.541 2.857 50 0 IFAARN O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000022972200 556610985 /nfs/dbraw/zinc/61/09/85/556610985.db2.gz MOWVSZAFYOSXCY-LJQANCHMSA-N 0 0 428.330 2.899 50 0 IFAARN CN1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)CC1 ZINC000038207001 556612402 /nfs/dbraw/zinc/61/24/02/556612402.db2.gz VXTRFHPIUXAXML-DYVFJYSZSA-N 0 0 437.422 2.660 50 0 IFAARN CCOC(=O)CN(CC(C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000032915659 556613037 /nfs/dbraw/zinc/61/30/37/556613037.db2.gz NYRYRODACLMJQD-MRXNPFEDSA-N 0 0 444.981 2.788 50 0 IFAARN CC(=O)c1ccc(N2CCN([C@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000016553617 556615044 /nfs/dbraw/zinc/61/50/44/556615044.db2.gz OUJFXINBTGDYDZ-LJQANCHMSA-N 0 0 436.556 2.771 50 0 IFAARN CSc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1C(=O)N1CCOCC1 ZINC000016647427 556620053 /nfs/dbraw/zinc/62/00/53/556620053.db2.gz ZQIXWVYXIRNARM-UHFFFAOYSA-N 0 0 428.482 2.960 50 0 IFAARN CSc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)N1CCCC1 ZINC000016650018 556620355 /nfs/dbraw/zinc/62/03/55/556620355.db2.gz SFUORIYFPZCZGW-UHFFFAOYSA-N 0 0 434.539 2.852 50 0 IFAARN CCN(c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1)S(C)(=O)=O ZINC000016652433 556620937 /nfs/dbraw/zinc/62/09/37/556620937.db2.gz FTQFSUBFGAPWPD-UHFFFAOYSA-N 0 0 428.514 2.523 50 0 IFAARN CCc1nc2ccccc2n1CC(=O)OCc1nc(N)nc(Nc2ccccc2OC)n1 ZINC000016668229 556621613 /nfs/dbraw/zinc/62/16/13/556621613.db2.gz WUCYWQONJAEPEE-UHFFFAOYSA-N 0 0 433.472 2.862 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O ZINC000016680356 556623774 /nfs/dbraw/zinc/62/37/74/556623774.db2.gz LTOZCZIKKDAIMX-DMZKTXOQSA-N 0 0 438.509 2.595 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000039034496 556626747 /nfs/dbraw/zinc/62/67/47/556626747.db2.gz UOBZOLLQFAANCU-UHFFFAOYSA-N 0 0 438.915 2.921 50 0 IFAARN Cc1c(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000016702831 556629715 /nfs/dbraw/zinc/62/97/15/556629715.db2.gz FLCHZMSPHZQWKG-QGZVFWFLSA-N 0 0 441.505 2.793 50 0 IFAARN COC(=O)c1c(C)nc(=O)[nH]c1SCc1cc2c(cc1Br)OCCO2 ZINC000061413668 556630799 /nfs/dbraw/zinc/63/07/99/556630799.db2.gz GIESFCSTJVTZKF-UHFFFAOYSA-N 0 0 427.276 2.691 50 0 IFAARN COc1cc(C(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000016742213 556636005 /nfs/dbraw/zinc/63/60/05/556636005.db2.gz XLDYTSAKGJUQFV-OAHLLOKOSA-N 0 0 439.555 2.912 50 0 IFAARN COc1ccc(C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016751885 556637492 /nfs/dbraw/zinc/63/74/92/556637492.db2.gz PPIXPNLUTIJVSN-QGZVFWFLSA-N 0 0 449.525 2.551 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)C[C@H](C)O1 ZINC000016753998 556638701 /nfs/dbraw/zinc/63/87/01/556638701.db2.gz VHROSZQMKWDODV-GASCZTMLSA-N 0 0 442.493 2.843 50 0 IFAARN CCN(CC)C(=S)SCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000016754648 556639108 /nfs/dbraw/zinc/63/91/08/556639108.db2.gz AOVBRNSCGBANQG-UHFFFAOYSA-N 0 0 429.633 2.576 50 0 IFAARN CC(C)CN1N=C(c2ccc(F)cc2)Cn2c3c(nc21)n(C)c(=O)n(CC(C)C)c3=O ZINC000005148231 556642587 /nfs/dbraw/zinc/64/25/87/556642587.db2.gz OBTLJDCHQHJFAQ-UHFFFAOYSA-N 0 0 426.496 2.572 50 0 IFAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O ZINC000016834514 556645269 /nfs/dbraw/zinc/64/52/69/556645269.db2.gz UUDOZUNHHGGZBV-QHCPKHFHSA-N 0 0 426.492 2.771 50 0 IFAARN O=C(NCc1ccccn1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000016845555 556646821 /nfs/dbraw/zinc/64/68/21/556646821.db2.gz DAHPVHZADJBKAT-UHFFFAOYSA-N 0 0 442.566 2.584 50 0 IFAARN O=c1c2nnn(Cc3cccc(F)c3)c2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000016845482 556646876 /nfs/dbraw/zinc/64/68/76/556646876.db2.gz MOLXHINKEZVIDZ-UHFFFAOYSA-N 0 0 437.822 2.927 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000016955166 556650409 /nfs/dbraw/zinc/65/04/09/556650409.db2.gz YUEFTFWYQVTFFT-UHFFFAOYSA-N 0 0 432.498 2.529 50 0 IFAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)Nc1ccc2c(c1)OCO2 ZINC000011758532 556652987 /nfs/dbraw/zinc/65/29/87/556652987.db2.gz DDVCWJCGFQPRFQ-UHFFFAOYSA-N 0 0 438.444 2.868 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000032999989 556653810 /nfs/dbraw/zinc/65/38/10/556653810.db2.gz SBGFOBFBKOWBSU-AZUAARDMSA-N 0 0 433.549 2.831 50 0 IFAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000017064989 556654872 /nfs/dbraw/zinc/65/48/72/556654872.db2.gz IYBXQELHNRPAOM-OAHLLOKOSA-N 0 0 432.542 2.979 50 0 IFAARN CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nnc(N2CCC(C)CC2)n1Cc1ccco1 ZINC000011780407 556655254 /nfs/dbraw/zinc/65/52/54/556655254.db2.gz CDGUWOYPXANRRP-OAHLLOKOSA-N 0 0 434.566 2.871 50 0 IFAARN O=c1c(Cl)c(N2CCN(Cc3cnn(-c4ccccc4)n3)CC2)cnn1-c1ccccc1 ZINC000032927381 556656311 /nfs/dbraw/zinc/65/63/11/556656311.db2.gz ILPLMZGUYTWXCN-UHFFFAOYSA-N 0 0 447.930 2.789 50 0 IFAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(C(C)(C)C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000248020208 556657552 /nfs/dbraw/zinc/65/75/52/556657552.db2.gz LRFIXQKBCKBMST-CKFHNAJUSA-N 0 0 433.530 2.707 50 0 IFAARN COCCNC(=O)C(=O)Nc1ccc(-c2nnc(Nc3ccc(OC)cc3)s2)cc1 ZINC000011797233 556657577 /nfs/dbraw/zinc/65/75/77/556657577.db2.gz VPBWFVUANJDABN-UHFFFAOYSA-N 0 0 427.486 2.658 50 0 IFAARN CCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 ZINC000011822413 556658458 /nfs/dbraw/zinc/65/84/58/556658458.db2.gz KMRJHFUEBYEZOJ-UHFFFAOYSA-N 0 0 448.618 2.532 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)cc1 ZINC000011834931 556659180 /nfs/dbraw/zinc/65/91/80/556659180.db2.gz MSDFAIFPIWKDSA-UHFFFAOYSA-N 0 0 448.501 2.753 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2=O)c(OC)c1 ZINC000011834784 556659185 /nfs/dbraw/zinc/65/91/85/556659185.db2.gz QLKKGIJORADTNE-YYIAUSFCSA-N 0 0 432.517 2.778 50 0 IFAARN COc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n(C)c21 ZINC000011853009 556662628 /nfs/dbraw/zinc/66/26/28/556662628.db2.gz CLIRWEOQLOHCHI-QZQOTICOSA-N 0 0 431.539 2.774 50 0 IFAARN C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1=O ZINC000011858224 556663618 /nfs/dbraw/zinc/66/36/18/556663618.db2.gz XJRWCXGUVRVVDH-NSHDSACASA-N 0 0 448.444 2.819 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)CCS[C@@H]2CCc3ccccc3NC2=O)cc1 ZINC000011865955 556665750 /nfs/dbraw/zinc/66/57/50/556665750.db2.gz RRPNCACVLBBXFM-LJQANCHMSA-N 0 0 447.582 2.719 50 0 IFAARN O=C(NCc1cccc(Br)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000071850209 556667224 /nfs/dbraw/zinc/66/72/24/556667224.db2.gz BRBJZWINJQOUAV-CQSZACIVSA-N 0 0 429.361 2.980 50 0 IFAARN O=C(CSc1nnc(CC2CCCC2)[nH]1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000011885878 556668740 /nfs/dbraw/zinc/66/87/40/556668740.db2.gz BMELCRBDPSEIDK-KRWDZBQOSA-N 0 0 434.587 2.850 50 0 IFAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000017125610 556668829 /nfs/dbraw/zinc/66/88/29/556668829.db2.gz OXFLMHDAYJVRSZ-UHFFFAOYSA-N 0 0 436.896 2.593 50 0 IFAARN C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)C(=O)N1CCc2ccccc21 ZINC000017127689 556668841 /nfs/dbraw/zinc/66/88/41/556668841.db2.gz OWLZIAPEBAFWSL-ZDUSSCGKSA-N 0 0 448.928 2.915 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)cc1Cl ZINC000011906038 556671247 /nfs/dbraw/zinc/67/12/47/556671247.db2.gz CLDWQCITJGRZJX-UHFFFAOYSA-N 0 0 428.919 2.824 50 0 IFAARN Cc1ccccc1OCC(=O)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011913997 556672729 /nfs/dbraw/zinc/67/27/29/556672729.db2.gz NOZUOQSBIILBSU-CQSZACIVSA-N 0 0 442.331 2.945 50 0 IFAARN COc1ccc(CC(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011914264 556673594 /nfs/dbraw/zinc/67/35/94/556673594.db2.gz WHHZHMOVJRNCTP-AWEZNQCLSA-N 0 0 442.331 2.809 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000248176181 556675028 /nfs/dbraw/zinc/67/50/28/556675028.db2.gz VVRZYAAZHPSTHP-YTQUADARSA-N 0 0 449.617 2.968 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000248176179 556675093 /nfs/dbraw/zinc/67/50/93/556675093.db2.gz VVRZYAAZHPSTHP-NZSAHSFTSA-N 0 0 449.617 2.968 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)NC[C@@H](O)CO[C@H](C)c3ccccc3)c(C)n2n1 ZINC000032933038 556676351 /nfs/dbraw/zinc/67/63/51/556676351.db2.gz IQWACAZENFZMTA-SJLPKXTDSA-N 0 0 443.573 2.651 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(Cn3ccnc3)c2)c1 ZINC000032933186 556676486 /nfs/dbraw/zinc/67/64/86/556676486.db2.gz QPGFJTBLSNWUJH-UHFFFAOYSA-N 0 0 428.514 2.920 50 0 IFAARN CC(C)[C@H](Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1)C(=O)NC(N)=O ZINC000011987492 556678305 /nfs/dbraw/zinc/67/83/05/556678305.db2.gz JJYZZVBOMDNFOP-FMKPAKJESA-N 0 0 434.566 2.713 50 0 IFAARN COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000011998559 556679661 /nfs/dbraw/zinc/67/96/61/556679661.db2.gz OVOXTPHEEWZGMX-IBGZPJMESA-N 0 0 439.537 2.891 50 0 IFAARN CCOc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCCC2)cc1 ZINC000011999593 556679872 /nfs/dbraw/zinc/67/98/72/556679872.db2.gz ZIHPQXYMCLQXHK-FQEVSTJZSA-N 0 0 432.542 2.972 50 0 IFAARN COC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1 ZINC000012006073 556680348 /nfs/dbraw/zinc/68/03/48/556680348.db2.gz NSLRHZCWGQUOQG-LLVKDONJSA-N 0 0 436.873 2.691 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3CCO[C@H](c4ccccc4)C3)n2)cc1OC ZINC000044917760 556681946 /nfs/dbraw/zinc/68/19/46/556681946.db2.gz VTSASULZSFKJOP-QFIPXVFZSA-N 0 0 435.480 2.528 50 0 IFAARN C[C@@H]1CN(Cc2ccccc2NC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@H](C)O1 ZINC000071941188 556683859 /nfs/dbraw/zinc/68/38/59/556683859.db2.gz QTMIGRQWAODSSP-QZTJIDSGSA-N 0 0 426.517 2.879 50 0 IFAARN COc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(OC)c1OC ZINC000018107925 556684105 /nfs/dbraw/zinc/68/41/05/556684105.db2.gz VZSUKHMJXSTGJB-UHFFFAOYSA-N 0 0 448.541 2.817 50 0 IFAARN Cc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021057 556685396 /nfs/dbraw/zinc/68/53/96/556685396.db2.gz SSQCWWCMLOZWIV-INIZCTEOSA-N 0 0 443.525 2.674 50 0 IFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccco2)c2ccc(C(F)(F)F)cc21)NCc1ccco1 ZINC000045221937 556685609 /nfs/dbraw/zinc/68/56/09/556685609.db2.gz RYXJXLUMCKUPSF-UHFFFAOYSA-N 0 0 447.369 2.733 50 0 IFAARN C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000010634643 556686373 /nfs/dbraw/zinc/68/63/73/556686373.db2.gz ZIQMIXHILBIIAU-CQSZACIVSA-N 0 0 429.498 2.531 50 0 IFAARN O=C(Cc1nn(CCO)c(=O)c2ccccc12)OCCOc1ccc(Cl)cc1Cl ZINC000072312581 556687552 /nfs/dbraw/zinc/68/75/52/556687552.db2.gz UHLPLWZAQOFAMZ-UHFFFAOYSA-N 0 0 437.279 2.860 50 0 IFAARN C[C@@H](OC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000072312593 556687586 /nfs/dbraw/zinc/68/75/86/556687586.db2.gz NLMAQRYIRQMXGR-GIPWTMENSA-N 0 0 449.385 2.944 50 0 IFAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000018269977 556688818 /nfs/dbraw/zinc/68/88/18/556688818.db2.gz HCBUFVLQTOCRFR-HDICACEKSA-N 0 0 430.498 2.533 50 0 IFAARN C[C@H](NC(=O)CC[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)c1nnc2ccccn21 ZINC000252483482 556690227 /nfs/dbraw/zinc/69/02/27/556690227.db2.gz FCGOSRMZNCRWLG-XJKSGUPXSA-N 0 0 440.891 2.665 50 0 IFAARN COC(=O)c1ccc(CCNC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)cc1 ZINC000032938931 556691177 /nfs/dbraw/zinc/69/11/77/556691177.db2.gz HPWMFNPXRIFRDY-UHFFFAOYSA-N 0 0 440.525 2.588 50 0 IFAARN COc1cccc2c1ccn2CCNC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000252533017 556691901 /nfs/dbraw/zinc/69/19/01/556691901.db2.gz FSPWBYRICJXERO-LJQANCHMSA-N 0 0 434.496 2.871 50 0 IFAARN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2OC)[C@H]1OC ZINC000252513395 556691952 /nfs/dbraw/zinc/69/19/52/556691952.db2.gz ZNELTWSJFPPVIB-JTNHKYCSSA-N 0 0 428.732 2.582 50 0 IFAARN CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCCCC4)C3)ccc21 ZINC000033023465 556693471 /nfs/dbraw/zinc/69/34/71/556693471.db2.gz AEHJWEOSXYZLOR-KRWDZBQOSA-N 0 0 433.578 2.816 50 0 IFAARN CC[C@@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(C)cc3)ccc21 ZINC000033023773 556693959 /nfs/dbraw/zinc/69/39/59/556693959.db2.gz LXLBHKMMUIMCKJ-MRXNPFEDSA-N 0 0 429.546 2.648 50 0 IFAARN Cc1c2cccc(C)c2oc1C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC000072313756 556694457 /nfs/dbraw/zinc/69/44/57/556694457.db2.gz HIBJXDMBZOIQAD-UHFFFAOYSA-N 0 0 434.452 2.795 50 0 IFAARN Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cn1C ZINC000033027051 556704470 /nfs/dbraw/zinc/70/44/70/556704470.db2.gz XFKHQDBBYIXDGO-UHFFFAOYSA-N 0 0 446.451 2.667 50 0 IFAARN CCCn1nc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)ccc1=O ZINC000033028264 556708920 /nfs/dbraw/zinc/70/89/20/556708920.db2.gz CDTRYAGDDZMAML-UHFFFAOYSA-N 0 0 430.461 2.846 50 0 IFAARN O=C(CNc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000011124685 556710214 /nfs/dbraw/zinc/71/02/14/556710214.db2.gz LWHZLVAWXTVETG-UHFFFAOYSA-N 0 0 433.961 2.774 50 0 IFAARN CCn1nc(C(=O)N(CCN2CCOCC2)c2nc3ccc(OC)cc3s2)cc1C ZINC000013703100 556713559 /nfs/dbraw/zinc/71/35/59/556713559.db2.gz RIBJEGDWXGBWEW-UHFFFAOYSA-N 0 0 429.546 2.809 50 0 IFAARN CN1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)C[C@@H]1c1ccccc1 ZINC000019226992 556717108 /nfs/dbraw/zinc/71/71/08/556717108.db2.gz MRQHCGLANKKNFM-HSZRJFAPSA-N 0 0 444.495 2.963 50 0 IFAARN COc1ccccc1OCCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000072325096 556722962 /nfs/dbraw/zinc/72/29/62/556722962.db2.gz MCLJHDUAYXTCCD-UHFFFAOYSA-N 0 0 437.496 2.706 50 0 IFAARN COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NC[C@@H]3COc4ccccc4O3)n2)c1 ZINC000061718150 556724413 /nfs/dbraw/zinc/72/44/13/556724413.db2.gz WZAWTOYQOUNEKW-CQSZACIVSA-N 0 0 443.843 2.670 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc(CC(C)C)s3)n2)cc1OC ZINC000061718859 556725150 /nfs/dbraw/zinc/72/51/50/556725150.db2.gz BAQOMFDKUCESII-UHFFFAOYSA-N 0 0 429.502 2.616 50 0 IFAARN CCOC(=O)N1CCN(c2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)CC1 ZINC000072328428 556725537 /nfs/dbraw/zinc/72/55/37/556725537.db2.gz PVODFNJMAVGCLH-UHFFFAOYSA-N 0 0 432.521 2.841 50 0 IFAARN COc1cc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)nc2c(C)cc(F)cc12 ZINC000072328803 556726518 /nfs/dbraw/zinc/72/65/18/556726518.db2.gz QEKRIFRPZKEDQN-UHFFFAOYSA-N 0 0 435.455 2.745 50 0 IFAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000072329342 556727042 /nfs/dbraw/zinc/72/70/42/556727042.db2.gz JOOPXQHQGPORNX-UHFFFAOYSA-N 0 0 448.932 2.749 50 0 IFAARN O=C(C1CCC(Cn2cnc3ccccc3c2=O)CC1)N1CCN(c2ccccn2)CC1 ZINC000061720516 556728084 /nfs/dbraw/zinc/72/80/84/556728084.db2.gz NLZQAQLBKPPACK-UHFFFAOYSA-N 0 0 431.540 2.947 50 0 IFAARN Cc1ccc2c(c1)-c1nc(SCC(=O)Nc3nccs3)ncc1S(=O)(=O)N2C ZINC000033039715 556731436 /nfs/dbraw/zinc/73/14/36/556731436.db2.gz MQEGPIAOEJXXSR-UHFFFAOYSA-N 0 0 433.540 2.778 50 0 IFAARN O=C(CSc1ccc2c(c1)OCCCO2)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000019297875 556734754 /nfs/dbraw/zinc/73/47/54/556734754.db2.gz HDHTVDNSECVYBA-MRXNPFEDSA-N 0 0 425.572 2.898 50 0 IFAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000019297443 556734820 /nfs/dbraw/zinc/73/48/20/556734820.db2.gz IHMWWJOMDYJDEC-UHFFFAOYSA-N 0 0 438.480 2.743 50 0 IFAARN CCn1c2ccccc2nc1NC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000010652033 556735864 /nfs/dbraw/zinc/73/58/64/556735864.db2.gz NOCVXGFGRTUWBX-OAHLLOKOSA-N 0 0 437.525 2.856 50 0 IFAARN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cc(C(C)C)nc(N)n3)C2)CC1 ZINC000055166594 556736504 /nfs/dbraw/zinc/73/65/04/556736504.db2.gz NHKPOXNTKQTDLM-GOSISDBHSA-N 0 0 438.576 2.618 50 0 IFAARN Cc1cccc2sc(N(C[C@H]3CCCO3)C(=O)C3CCN(S(C)(=O)=O)CC3)nc21 ZINC000013789183 556737326 /nfs/dbraw/zinc/73/73/26/556737326.db2.gz QZBCRGIMSNUODM-MRXNPFEDSA-N 0 0 437.587 2.788 50 0 IFAARN O=C(OCn1nnc2ccccc2c1=O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000079183123 556738459 /nfs/dbraw/zinc/73/84/59/556738459.db2.gz KHDIPRASSOBSKM-ROUUACIJSA-N 0 0 432.480 2.688 50 0 IFAARN CS(=O)(=O)c1ncc(CN2CCC(Oc3ccccc3F)CC2)n1C[C@H]1CCCO1 ZINC000055252681 556738888 /nfs/dbraw/zinc/73/88/88/556738888.db2.gz VKAKJSMCMVTHHW-GOSISDBHSA-N 0 0 437.537 2.648 50 0 IFAARN COc1ccc(S(=O)(=O)NCCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1F ZINC000013799418 556742752 /nfs/dbraw/zinc/74/27/52/556742752.db2.gz BNNHAQNIEYXFPW-UHFFFAOYSA-N 0 0 435.452 2.566 50 0 IFAARN O=S(=O)(NCCn1c2ncccc2nc1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000033048110 556743570 /nfs/dbraw/zinc/74/35/70/556743570.db2.gz ZLOFHYDAVUPZJX-UHFFFAOYSA-N 0 0 436.493 2.848 50 0 IFAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000013818122 556744509 /nfs/dbraw/zinc/74/45/09/556744509.db2.gz VUAUPNDDYVHTJP-UHFFFAOYSA-N 0 0 442.475 2.885 50 0 IFAARN CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000019354767 556745173 /nfs/dbraw/zinc/74/51/73/556745173.db2.gz FEMHQPZEUBFNGF-UHFFFAOYSA-N 0 0 431.510 2.837 50 0 IFAARN COc1cc(C)c(NC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cc1OC ZINC000019356954 556745415 /nfs/dbraw/zinc/74/54/15/556745415.db2.gz MQYDLULCZGLPGD-OAHLLOKOSA-N 0 0 443.525 2.812 50 0 IFAARN O=C(c1ccccc1)N1CCN([C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 ZINC000019368852 556746846 /nfs/dbraw/zinc/74/68/46/556746846.db2.gz UIMUDWQNNPMCGJ-SFHVURJKSA-N 0 0 442.313 2.539 50 0 IFAARN COc1ccccc1CN1C(=O)N[C@H](CCC(=O)NCCc2c[nH]c3ccccc23)C1=O ZINC000206237394 556748520 /nfs/dbraw/zinc/74/85/20/556748520.db2.gz IELCYUZEEGFAHS-HXUWFJFHSA-N 0 0 434.496 2.736 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc4ccn(C)c4c3)C2=O)cc1OC ZINC000206229834 556748648 /nfs/dbraw/zinc/74/86/48/556748648.db2.gz YTCMLVSXNCRWGA-QGZVFWFLSA-N 0 0 436.468 2.645 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc4c(ccn4C)c3)C2=O)cc1OC ZINC000206244547 556748913 /nfs/dbraw/zinc/74/89/13/556748913.db2.gz XEYOSKGWKNBWAO-QGZVFWFLSA-N 0 0 436.468 2.645 50 0 IFAARN O=C(Nc1nccs1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000206346261 556751105 /nfs/dbraw/zinc/75/11/05/556751105.db2.gz IRXJZLUOMANHDG-MJGOQNOKSA-N 0 0 434.521 2.862 50 0 IFAARN O=C(NCCNC(=O)c1cccn1-c1ccc(I)cc1)c1ccco1 ZINC000058015273 556753999 /nfs/dbraw/zinc/75/39/99/556753999.db2.gz KLTMUTYDDBRVTJ-UHFFFAOYSA-N 0 0 449.248 2.835 50 0 IFAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000058054887 556755540 /nfs/dbraw/zinc/75/55/40/556755540.db2.gz OLVZNJZXTVTYBV-ZDUSSCGKSA-N 0 0 434.403 2.749 50 0 IFAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000058111574 556759041 /nfs/dbraw/zinc/75/90/41/556759041.db2.gz XFUHEVVPGSWOGG-PZJWPPBQSA-N 0 0 431.558 2.834 50 0 IFAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000058111581 556759103 /nfs/dbraw/zinc/75/91/03/556759103.db2.gz XFUHEVVPGSWOGG-TZIWHRDSSA-N 0 0 431.558 2.834 50 0 IFAARN COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000096378262 556760755 /nfs/dbraw/zinc/76/07/55/556760755.db2.gz JHIDLWQJFZVOGH-UHFFFAOYSA-N 0 0 449.472 2.702 50 0 IFAARN CCCn1c2ccccc2n(CC(=O)OCC(=O)NCCc2cccc(Cl)c2)c1=O ZINC000058146285 556761784 /nfs/dbraw/zinc/76/17/84/556761784.db2.gz AZPDELVDIUCDJC-UHFFFAOYSA-N 0 0 429.904 2.769 50 0 IFAARN CC[C@H](c1nnc(SCc2nc(-c3ccco3)no2)n1CCN1CCOCC1)N(C)C ZINC000058157165 556762796 /nfs/dbraw/zinc/76/27/96/556762796.db2.gz NTSOKJOHJDDPOU-OAHLLOKOSA-N 0 0 447.565 2.558 50 0 IFAARN O=S(=O)(c1ccc(SCc2ccn(-c3cccc(F)c3)n2)nc1)N1CCOCC1 ZINC000058157350 556763049 /nfs/dbraw/zinc/76/30/49/556763049.db2.gz LMWDCRFEQNENBD-UHFFFAOYSA-N 0 0 434.518 2.720 50 0 IFAARN CCOc1ccccc1N1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2CC)CC1 ZINC000058160542 556764450 /nfs/dbraw/zinc/76/44/50/556764450.db2.gz VUUNCPJGTOZJBI-UHFFFAOYSA-N 0 0 438.572 2.867 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 ZINC000058161480 556765498 /nfs/dbraw/zinc/76/54/98/556765498.db2.gz HRQRCWSIOSPSKW-LJQANCHMSA-N 0 0 425.489 2.562 50 0 IFAARN CCOc1ccc(C[C@@H](CNC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)C(N)=O)cc1 ZINC000058162191 556765732 /nfs/dbraw/zinc/76/57/32/556765732.db2.gz WARKHFYYSYJOGQ-ZDUSSCGKSA-N 0 0 446.891 2.535 50 0 IFAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N[C@H](C)CN4CCOCC4)c3n2)cc1 ZINC000019456343 556765821 /nfs/dbraw/zinc/76/58/21/556765821.db2.gz XPOOYMSVUQUEOF-CQSZACIVSA-N 0 0 445.470 2.793 50 0 IFAARN C[C@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000058163355 556766288 /nfs/dbraw/zinc/76/62/88/556766288.db2.gz FUCHKCSCJOPVTC-CQSZACIVSA-N 0 0 425.913 2.813 50 0 IFAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000058166295 556766443 /nfs/dbraw/zinc/76/64/43/556766443.db2.gz PRMGVXMRBHDUQI-UHFFFAOYSA-N 0 0 426.473 2.656 50 0 IFAARN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccn(Cc3cn4ccccc4n3)n2)CC1=O ZINC000058166363 556766833 /nfs/dbraw/zinc/76/68/33/556766833.db2.gz UKKCMWLNOSIDMO-KRWDZBQOSA-N 0 0 444.495 2.969 50 0 IFAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000019471695 556768368 /nfs/dbraw/zinc/76/83/68/556768368.db2.gz QPCUUESIGWRBJD-HNNXBMFYSA-N 0 0 446.550 2.856 50 0 IFAARN COc1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1OC1CCCC1 ZINC000058175635 556769350 /nfs/dbraw/zinc/76/93/50/556769350.db2.gz KWRUZXOAEZMJFA-XLIONFOSSA-N 0 0 433.549 2.875 50 0 IFAARN Cc1cc(C(=O)Cn2cnc3c(nnn3-c3ccccc3)c2=O)c(C)n1CC(F)(F)F ZINC000058178554 556769698 /nfs/dbraw/zinc/76/96/98/556769698.db2.gz IKILOLIYVWASJL-UHFFFAOYSA-N 0 0 430.390 2.841 50 0 IFAARN CCN(C(=O)[C@H](C)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000058224064 556773593 /nfs/dbraw/zinc/77/35/93/556773593.db2.gz HVICZUBDHPJTFV-KRWDZBQOSA-N 0 0 447.557 2.570 50 0 IFAARN Cc1ccc(Oc2ccc(NC(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cn2)cc1 ZINC000058247416 556775486 /nfs/dbraw/zinc/77/54/86/556775486.db2.gz HXZLCOWYIKSGCB-CALCHBBNSA-N 0 0 448.545 2.743 50 0 IFAARN Cc1ccc(Oc2ccc(NC(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cn2)cc1 ZINC000058247418 556775534 /nfs/dbraw/zinc/77/55/34/556775534.db2.gz HXZLCOWYIKSGCB-IAGOWNOFSA-N 0 0 448.545 2.743 50 0 IFAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000058265357 556776345 /nfs/dbraw/zinc/77/63/45/556776345.db2.gz NKBCEBZYZKAIFC-HXUWFJFHSA-N 0 0 430.530 2.835 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000058268730 556776996 /nfs/dbraw/zinc/77/69/96/556776996.db2.gz LTXBBIOVJARBJG-UHFFFAOYSA-N 0 0 431.625 2.635 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(NC(=O)NCc2ccnc(-n3cccn3)c2)c1)n1cccn1 ZINC000058281082 556777182 /nfs/dbraw/zinc/77/71/82/556777182.db2.gz BVOKGSSRKMMFAU-INIZCTEOSA-N 0 0 430.472 2.985 50 0 IFAARN O=C(NCc1cc(Br)ccc1F)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000058283373 556777475 /nfs/dbraw/zinc/77/74/75/556777475.db2.gz AOHLRMDZDKLNFX-NVXWUHKLSA-N 0 0 439.256 2.619 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC000058297789 556778288 /nfs/dbraw/zinc/77/82/88/556778288.db2.gz ZOVJQDWAUCZSGA-GOSISDBHSA-N 0 0 447.479 2.524 50 0 IFAARN Cc1cccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2ccc(Br)cn2)c1C ZINC000058306366 556779096 /nfs/dbraw/zinc/77/90/96/556779096.db2.gz OCGFXYGQTNKPPE-UHFFFAOYSA-N 0 0 448.321 2.680 50 0 IFAARN CN(Cc1ccccc1N1CCOCC1)C(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000058309759 556779532 /nfs/dbraw/zinc/77/95/32/556779532.db2.gz PNZUUTIGQRZGCT-UHFFFAOYSA-N 0 0 433.512 2.792 50 0 IFAARN O=S(=O)(c1c(F)cccc1F)N1CCN(Cn2ccc(-c3ccc(F)cc3)n2)CC1 ZINC000058326522 556781028 /nfs/dbraw/zinc/78/10/28/556781028.db2.gz CKKXGWRMPGUKJM-UHFFFAOYSA-N 0 0 436.459 2.931 50 0 IFAARN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCNC(=O)c1ccc(C)c(F)c1 ZINC000058355494 556782479 /nfs/dbraw/zinc/78/24/79/556782479.db2.gz HKVZAOLCFGISBY-ZHRRBRCNSA-N 0 0 439.531 2.980 50 0 IFAARN O=C(Nc1cccc(N2CCOC2=O)c1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000058403070 556785624 /nfs/dbraw/zinc/78/56/24/556785624.db2.gz XZJCJEVZFAEKST-ZWKOTPCHSA-N 0 0 429.473 2.564 50 0 IFAARN CCN(C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000058406017 556785827 /nfs/dbraw/zinc/78/58/27/556785827.db2.gz BQCXUGPIBQAJMN-QGZVFWFLSA-N 0 0 434.583 2.901 50 0 IFAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2C1 ZINC000058406797 556786122 /nfs/dbraw/zinc/78/61/22/556786122.db2.gz BTCQWFSEEYQFFK-BRWVUGGUSA-N 0 0 445.585 2.528 50 0 IFAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1 ZINC000058412269 556786316 /nfs/dbraw/zinc/78/63/16/556786316.db2.gz RCNDWDFKCLPBHL-UHFFFAOYSA-N 0 0 435.933 2.711 50 0 IFAARN Cc1sc(=O)n(CC(=O)N2CCN(C(=O)c3ccoc3)CC2)c1-c1ccc(F)cc1 ZINC000058434362 556788226 /nfs/dbraw/zinc/78/82/26/556788226.db2.gz PKWQRRVMSUJOQU-UHFFFAOYSA-N 0 0 429.473 2.602 50 0 IFAARN CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000058558581 556790083 /nfs/dbraw/zinc/79/00/83/556790083.db2.gz ADIXPZYYFNDBMW-AWEZNQCLSA-N 0 0 427.432 2.739 50 0 IFAARN CC(C)(C)C(=O)NCCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000058581955 556790281 /nfs/dbraw/zinc/79/02/81/556790281.db2.gz XEMXMKMEFGVOCR-UHFFFAOYSA-N 0 0 435.590 2.693 50 0 IFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1csc(Br)c1 ZINC000058640178 556791059 /nfs/dbraw/zinc/79/10/59/556791059.db2.gz LBHFRBRPZKNHLK-UHFFFAOYSA-N 0 0 444.303 2.667 50 0 IFAARN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccncc4)c(=O)n32)c1 ZINC000059143993 556795421 /nfs/dbraw/zinc/79/54/21/556795421.db2.gz PDYHPNBIOPMYRX-PRWBYUBPSA-N 0 0 449.532 2.590 50 0 IFAARN COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000059309115 556797425 /nfs/dbraw/zinc/79/74/25/556797425.db2.gz PNXVQRLKDFTJHB-LJQANCHMSA-N 0 0 428.916 2.933 50 0 IFAARN COc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1S(=O)(=O)N1CCCCC1 ZINC000011199476 556799284 /nfs/dbraw/zinc/79/92/84/556799284.db2.gz CUEUXGZXEWLAEF-UHFFFAOYSA-N 0 0 434.562 2.791 50 0 IFAARN CCOC(=O)C[C@@H](c1ccccc1OCc1ccccn1)c1oc(CO)cc(=O)c1O ZINC000072401084 556799757 /nfs/dbraw/zinc/79/97/57/556799757.db2.gz KKBOMRYLRSTGRI-SFHVURJKSA-N 0 0 425.437 2.897 50 0 IFAARN O=C(Cn1ncc2ccccc2c1=O)NCCn1ccc2ccc(Br)cc21 ZINC000072401396 556800499 /nfs/dbraw/zinc/80/04/99/556800499.db2.gz IRKFFPJAXCSDIJ-UHFFFAOYSA-N 0 0 425.286 2.930 50 0 IFAARN Cn1ccnc1COc1ccc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000059421033 556800527 /nfs/dbraw/zinc/80/05/27/556800527.db2.gz WQNGRQCLJTYKSU-UHFFFAOYSA-N 0 0 440.569 2.647 50 0 IFAARN CCOC(=O)C[C@@H](c1c(C)nn(-c2ccc(F)cc2)c1C)c1oc(CO)cc(=O)c1O ZINC000072401989 556802100 /nfs/dbraw/zinc/80/21/00/556802100.db2.gz NLGDRCHRSGOIFC-KRWDZBQOSA-N 0 0 430.432 2.864 50 0 IFAARN Cc1noc([C@H]2CCCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)C2)n1 ZINC000059589065 556802824 /nfs/dbraw/zinc/80/28/24/556802824.db2.gz CLMDDVLKPJOZKG-PKOBYXMFSA-N 0 0 434.562 2.786 50 0 IFAARN Cc1noc(C)c1CN1CCN(C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)CC1 ZINC000059894815 556805451 /nfs/dbraw/zinc/80/54/51/556805451.db2.gz FDCACAVXPPPLHU-NRFANRHFSA-N 0 0 428.533 2.887 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1 ZINC000060111218 556806532 /nfs/dbraw/zinc/80/65/32/556806532.db2.gz QJFRLYVFZCOIMT-GOSISDBHSA-N 0 0 447.601 2.751 50 0 IFAARN COc1ccc(-c2cnc(CN3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)o2)cc1 ZINC000060105752 556806581 /nfs/dbraw/zinc/80/65/81/556806581.db2.gz CTJWEXZXUXSMBU-QFIPXVFZSA-N 0 0 435.480 2.977 50 0 IFAARN CC(=O)c1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC000003296286 556810989 /nfs/dbraw/zinc/81/09/89/556810989.db2.gz DMNMSYQSYODMFQ-UHFFFAOYSA-N 0 0 438.889 2.588 50 0 IFAARN COc1ccc(/C=C2/SC(=O)N(CCNS(=O)(=O)c3ccccc3OC)C2=O)cc1 ZINC000003341124 556813020 /nfs/dbraw/zinc/81/30/20/556813020.db2.gz ZQNQJWDHRQYZKB-GHRIWEEISA-N 0 0 448.522 2.719 50 0 IFAARN Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)c1 ZINC000097943493 556813194 /nfs/dbraw/zinc/81/31/94/556813194.db2.gz BAZQMJVXNLJYQT-JOCHJYFZSA-N 0 0 445.523 2.765 50 0 IFAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccsc5)CC4)c3CO2)cc1 ZINC000097943607 556813243 /nfs/dbraw/zinc/81/32/43/556813243.db2.gz NNQVOYQVNYXMQF-IBGZPJMESA-N 0 0 437.525 2.518 50 0 IFAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccsc5)CC4)c3CO2)cc1 ZINC000097943608 556813264 /nfs/dbraw/zinc/81/32/64/556813264.db2.gz NNQVOYQVNYXMQF-LJQANCHMSA-N 0 0 437.525 2.518 50 0 IFAARN Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)c(C)c1 ZINC000097943466 556813297 /nfs/dbraw/zinc/81/32/97/556813297.db2.gz BDLZIXTYJSRWOI-QFIPXVFZSA-N 0 0 445.523 2.765 50 0 IFAARN Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)CC2)cc1 ZINC000097943635 556813459 /nfs/dbraw/zinc/81/34/59/556813459.db2.gz SZTOCQGELIIOQD-QFIPXVFZSA-N 0 0 445.523 2.765 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)NCc1ccc(F)cc1 ZINC000003453485 556816109 /nfs/dbraw/zinc/81/61/09/556816109.db2.gz KVZUBJKHWQPPGB-UHFFFAOYSA-N 0 0 448.516 2.782 50 0 IFAARN COc1ccc(CCNC(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1OC ZINC000033060220 556816824 /nfs/dbraw/zinc/81/68/24/556816824.db2.gz XECWYCSUUUXVOI-UHFFFAOYSA-N 0 0 430.461 2.919 50 0 IFAARN COc1ccc(NC(=O)c2nnc(CCC(=O)NCc3ccc4c(c3)OCO4)s2)cc1 ZINC000033061809 556817281 /nfs/dbraw/zinc/81/72/81/556817281.db2.gz BEUKWOXFWHCUSA-UHFFFAOYSA-N 0 0 440.481 2.777 50 0 IFAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1ccccc1OC ZINC000060388145 556817793 /nfs/dbraw/zinc/81/77/93/556817793.db2.gz GJRUAKLVRWQVPY-QGZVFWFLSA-N 0 0 429.469 2.780 50 0 IFAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1ccccc1OC ZINC000060388144 556817891 /nfs/dbraw/zinc/81/78/91/556817891.db2.gz GJRUAKLVRWQVPY-KRWDZBQOSA-N 0 0 429.469 2.780 50 0 IFAARN CCOc1ccccc1CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCc1ccccc1Cl ZINC000064157729 556823092 /nfs/dbraw/zinc/82/30/92/556823092.db2.gz DCTPRWDKKJYZQO-QUCCMNQESA-N 0 0 440.935 2.857 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c1 ZINC000064591344 556824832 /nfs/dbraw/zinc/82/48/32/556824832.db2.gz WQSSHXCODFNBBO-UHFFFAOYSA-N 0 0 448.435 2.548 50 0 IFAARN CCOc1ccc(-n2ccn3c(CCCC(=O)NCCCOC(C)C)nnc3c2=O)cc1 ZINC000064591655 556825409 /nfs/dbraw/zinc/82/54/09/556825409.db2.gz DOXHZYGTJMQWPO-UHFFFAOYSA-N 0 0 441.532 2.533 50 0 IFAARN CCOc1ccc(CC(=O)N2CCCN([C@H]3CCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000097945169 556826387 /nfs/dbraw/zinc/82/63/87/556826387.db2.gz KMSAXWWPFQFPHS-DEOSSOPVSA-N 0 0 435.568 2.963 50 0 IFAARN Cn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2c1CCN(C(=O)/C=C/c1ccccc1)C2 ZINC000064893149 556828253 /nfs/dbraw/zinc/82/82/53/556828253.db2.gz FQZHBFUBHGSGCX-CSKARUKUSA-N 0 0 444.491 2.677 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)N1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000064893605 556828615 /nfs/dbraw/zinc/82/86/15/556828615.db2.gz NJTAFELKTNHGRX-UHFFFAOYSA-N 0 0 439.516 2.813 50 0 IFAARN CCCn1nnnc1COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1 ZINC000019605593 556831009 /nfs/dbraw/zinc/83/10/09/556831009.db2.gz XJNBMCSKZUBPPS-UHFFFAOYSA-N 0 0 425.445 2.710 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1 ZINC000019608257 556831422 /nfs/dbraw/zinc/83/14/22/556831422.db2.gz AXUIWFRDZVECQV-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN CCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OCC ZINC000019621517 556831636 /nfs/dbraw/zinc/83/16/36/556831636.db2.gz WPKLVHLUNBVPME-UHFFFAOYSA-N 0 0 426.560 2.525 50 0 IFAARN Cc1nn(C(C)C)c2nc(C)cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c12 ZINC000019634598 556834373 /nfs/dbraw/zinc/83/43/73/556834373.db2.gz WEGDZLHRYMPYFG-UHFFFAOYSA-N 0 0 441.557 2.776 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c(OC)c1 ZINC000065362914 556834622 /nfs/dbraw/zinc/83/46/22/556834622.db2.gz HXMDWSBGPYVOLD-UHFFFAOYSA-N 0 0 437.504 2.650 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)cc1OC ZINC000065365733 556836126 /nfs/dbraw/zinc/83/61/26/556836126.db2.gz PSZSXKGRUNAIPS-UHFFFAOYSA-N 0 0 436.516 2.567 50 0 IFAARN Cc1cc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000072404600 556836558 /nfs/dbraw/zinc/83/65/58/556836558.db2.gz KBNRIPCPWJOTPX-GOSISDBHSA-N 0 0 427.530 2.535 50 0 IFAARN COc1ccccc1CNC(=O)[C@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000072404630 556836560 /nfs/dbraw/zinc/83/65/60/556836560.db2.gz NCVGRIAESUFRPU-INIZCTEOSA-N 0 0 430.936 2.885 50 0 IFAARN C[C@@H]1CN(c2ccccc2NC(=O)NCCNS(=O)(=O)Cc2ccccc2)C[C@H](C)O1 ZINC000062580898 556836633 /nfs/dbraw/zinc/83/66/33/556836633.db2.gz RVHRNLKEYXCGMR-HDICACEKSA-N 0 0 446.573 2.541 50 0 IFAARN COc1ccc2c(ccn2CCCNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)c1 ZINC000334161011 556837074 /nfs/dbraw/zinc/83/70/74/556837074.db2.gz QWMSMSGBALZZSH-HXUWFJFHSA-N 0 0 434.496 2.687 50 0 IFAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3cn(C)nc3C)C1[C@@H](c1cn(C)nc1C)O2 ZINC000019640723 556837095 /nfs/dbraw/zinc/83/70/95/556837095.db2.gz ZOIDONDNZFLRHI-FCHUYYIVSA-N 0 0 444.499 2.930 50 0 IFAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3cnn(C)c3C)C1[C@@H](c1cnn(C)c1C)O2 ZINC000019640699 556837128 /nfs/dbraw/zinc/83/71/28/556837128.db2.gz AJYGEGYIHBRYLL-FCHUYYIVSA-N 0 0 444.499 2.930 50 0 IFAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3cnn(C)c3C)C1[C@@H](c1cnn(C)c1C)O2 ZINC000019640690 556837166 /nfs/dbraw/zinc/83/71/66/556837166.db2.gz AJYGEGYIHBRYLL-FGZHOGPDSA-N 0 0 444.499 2.930 50 0 IFAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3cn(C)nc3C)C1[C@@H](c1cn(C)nc1C)O2 ZINC000019640711 556837184 /nfs/dbraw/zinc/83/71/84/556837184.db2.gz ZOIDONDNZFLRHI-FGZHOGPDSA-N 0 0 444.499 2.930 50 0 IFAARN C[C@H]1CCc2c(sc(NC(=O)CN3CCN(Cc4cccc(F)c4)CC3)c2C(N)=O)C1 ZINC000019641481 556837537 /nfs/dbraw/zinc/83/75/37/556837537.db2.gz DHOZDCOTJRFQQV-HNNXBMFYSA-N 0 0 444.576 2.867 50 0 IFAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(CN4CCOCC4)n3C)n2)cc1 ZINC000019641653 556837711 /nfs/dbraw/zinc/83/77/11/556837711.db2.gz AFUXSTBQSOVOKV-UHFFFAOYSA-N 0 0 444.586 2.810 50 0 IFAARN COc1ccc(-c2cc(C(=O)Nc3ncccc3C)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000072405810 556841846 /nfs/dbraw/zinc/84/18/46/556841846.db2.gz BCJVWYYVBTYSMP-INIZCTEOSA-N 0 0 426.498 2.874 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc(C)n2)n1 ZINC000067604692 556843905 /nfs/dbraw/zinc/84/39/05/556843905.db2.gz HUFOXKLLVBYFTC-UHFFFAOYSA-N 0 0 429.528 2.960 50 0 IFAARN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)OCCCn2c3ccccc3[nH]c2=O)cc1 ZINC000011216115 556844096 /nfs/dbraw/zinc/84/40/96/556844096.db2.gz VIIIVXWVSLOVFB-HNNXBMFYSA-N 0 0 431.514 2.654 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C=Cc1cnn(-c2ccccc2)c1 ZINC000096794599 556845765 /nfs/dbraw/zinc/84/57/65/556845765.db2.gz GHJVECQYBQLNFJ-QXMHVHEDSA-N 0 0 429.480 2.797 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nnc(C3CCCCC3)o2)cc1 ZINC000008928134 556852506 /nfs/dbraw/zinc/85/25/06/556852506.db2.gz SJDGQENAXHLVKJ-QGZVFWFLSA-N 0 0 434.518 2.918 50 0 IFAARN Cc1c(C(=O)N2CCC(C(=O)NCCc3ccsc3)CC2)sc2[nH]cnc(=O)c12 ZINC000033073523 556852758 /nfs/dbraw/zinc/85/27/58/556852758.db2.gz TZQCEGOCTVRUFN-UHFFFAOYSA-N 0 0 430.555 2.566 50 0 IFAARN CCc1cccc(NC(=O)Cn2c(=O)ccc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000033077247 556854487 /nfs/dbraw/zinc/85/44/87/556854487.db2.gz WQUCOWJLCHCUMM-UHFFFAOYSA-N 0 0 439.537 2.987 50 0 IFAARN Cc1ccc(OCCCC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000008982046 556854535 /nfs/dbraw/zinc/85/45/35/556854535.db2.gz UCLKSYAIERROHR-UHFFFAOYSA-N 0 0 436.505 2.953 50 0 IFAARN Cc1ccc(N(CC(=O)NCCc2c[nH]c3ccc(C)cc23)S(=O)(=O)N(C)C)cc1 ZINC000033085110 556855102 /nfs/dbraw/zinc/85/51/02/556855102.db2.gz GHIZTOUQWUEQQZ-UHFFFAOYSA-N 0 0 428.558 2.756 50 0 IFAARN Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccc(F)c(Br)c1)CC(=O)N2 ZINC000033088108 556855932 /nfs/dbraw/zinc/85/59/32/556855932.db2.gz PSRQENGHGUVGJP-NSHDSACASA-N 0 0 442.252 2.994 50 0 IFAARN Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC(C(=O)N4CCCC4)CC3)c2)no1 ZINC000033086621 556857304 /nfs/dbraw/zinc/85/73/04/556857304.db2.gz SXGVJLFSQVIWDM-UHFFFAOYSA-N 0 0 438.937 2.722 50 0 IFAARN Cc1ccccc1S(=O)(=O)N(C)Cc1nc2cc(C(=O)N3CCCC3)ccc2n1C ZINC000033121743 556862684 /nfs/dbraw/zinc/86/26/84/556862684.db2.gz RRRZJKWGWTXYKL-UHFFFAOYSA-N 0 0 426.542 2.938 50 0 IFAARN CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1cc(OC)ccc1OC ZINC000033124804 556864194 /nfs/dbraw/zinc/86/41/94/556864194.db2.gz DGMYDJLMWXGCNZ-LJQANCHMSA-N 0 0 441.459 2.863 50 0 IFAARN Cc1nc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)cs1 ZINC000033129835 556869156 /nfs/dbraw/zinc/86/91/56/556869156.db2.gz IRJRKWUUWQQITJ-OAHLLOKOSA-N 0 0 433.477 2.940 50 0 IFAARN Cn1c(=O)cc(COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)n(C)c1=O ZINC000011225339 556874862 /nfs/dbraw/zinc/87/48/62/556874862.db2.gz IPJYFAGFGVFLNW-UHFFFAOYSA-N 0 0 434.374 2.598 50 0 IFAARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000011226370 556875705 /nfs/dbraw/zinc/87/57/05/556875705.db2.gz SKEGYMQTLDJLNN-UHFFFAOYSA-N 0 0 428.432 2.656 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc(CC)cc2)c1=O ZINC000033140970 556876787 /nfs/dbraw/zinc/87/67/87/556876787.db2.gz XKCPYAWTUPSBKW-UHFFFAOYSA-N 0 0 441.557 2.831 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccccc2)c1=O ZINC000033141030 556877132 /nfs/dbraw/zinc/87/71/32/556877132.db2.gz WIVJXUHEZKORLR-UHFFFAOYSA-N 0 0 427.530 2.659 50 0 IFAARN Cc1noc(/C=C\c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1NC(=O)C1CC1 ZINC000033171120 556882033 /nfs/dbraw/zinc/88/20/33/556882033.db2.gz YXFULCIBTRFQNR-KOJMWDNASA-N 0 0 431.514 2.959 50 0 IFAARN COc1cccc(CNC(=O)c2nsc(C(=O)NCc3cccc(OC)c3)c2N)c1 ZINC000033171926 556882815 /nfs/dbraw/zinc/88/28/15/556882815.db2.gz FLYPRTIKGORIAW-UHFFFAOYSA-N 0 0 426.498 2.603 50 0 IFAARN CCn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccc4c(c3)OCCO4)CC2)c1=O ZINC000033169620 556884680 /nfs/dbraw/zinc/88/46/80/556884680.db2.gz MJONOUGCTRVGES-UHFFFAOYSA-N 0 0 449.511 2.978 50 0 IFAARN O=S(=O)(c1cc(-c2ccno2)cs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033169510 556884698 /nfs/dbraw/zinc/88/46/98/556884698.db2.gz PYZKJNFFTYTWCI-UHFFFAOYSA-N 0 0 433.511 2.638 50 0 IFAARN O=C(NCCc1cccs1)c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000033170030 556885228 /nfs/dbraw/zinc/88/52/28/556885228.db2.gz AZZZEGMEYJFSMU-UHFFFAOYSA-N 0 0 446.554 2.945 50 0 IFAARN Cc1c(C(=O)NCc2ccc(C)cc2)c(C)n2cnn(CC(=O)NC3CCCCC3)c(=O)c12 ZINC000033170229 556885661 /nfs/dbraw/zinc/88/56/61/556885661.db2.gz GBCRSDWSJRWCCG-UHFFFAOYSA-N 0 0 449.555 2.800 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(c1ccc(F)cc1)C2=O ZINC000033249990 556891265 /nfs/dbraw/zinc/89/12/65/556891265.db2.gz QFIUTSXVTCSOEO-JOCHJYFZSA-N 0 0 428.464 2.677 50 0 IFAARN CCOCCCNC(=O)[C@@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 ZINC000033259278 556894465 /nfs/dbraw/zinc/89/44/65/556894465.db2.gz KBPZQKJCMBGHFG-HXUWFJFHSA-N 0 0 449.555 2.599 50 0 IFAARN CCn1c(=O)c(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)nc2cccnc21 ZINC000033258915 556896605 /nfs/dbraw/zinc/89/66/05/556896605.db2.gz VZMWPUKPYKMCNF-UHFFFAOYSA-N 0 0 425.920 2.998 50 0 IFAARN CCOc1ccc(CNC(=O)C2CCN(c3nc4cccnc4n(CC)c3=O)CC2)cc1 ZINC000033258979 556896956 /nfs/dbraw/zinc/89/69/56/556896956.db2.gz HVIVKYJZFADIQM-UHFFFAOYSA-N 0 0 435.528 2.743 50 0 IFAARN Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)nn2)nc1 ZINC000072139317 556899362 /nfs/dbraw/zinc/89/93/62/556899362.db2.gz XWPXCWWRYXYZNH-UHFFFAOYSA-N 0 0 442.520 2.882 50 0 IFAARN Cc1ccccc1CN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000019807817 556918259 /nfs/dbraw/zinc/91/82/59/556918259.db2.gz DQGANVWRBCYGRD-UHFFFAOYSA-N 0 0 435.977 2.613 50 0 IFAARN CC(C)NC(=O)CN1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000019837870 556928844 /nfs/dbraw/zinc/92/88/44/556928844.db2.gz TVAMQSTUHBANCI-UHFFFAOYSA-N 0 0 433.556 2.892 50 0 IFAARN Cc1ccccc1CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000019858079 556931696 /nfs/dbraw/zinc/93/16/96/556931696.db2.gz UWHAXHWWNXETPR-KRWDZBQOSA-N 0 0 430.526 2.947 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019862892 556934270 /nfs/dbraw/zinc/93/42/70/556934270.db2.gz ORNXPHKLGSQVLQ-INIZCTEOSA-N 0 0 434.489 2.777 50 0 IFAARN CCOc1ccccc1NC(=O)[C@@H]1CC(=O)NC(Nc2nc(C)c3cc(C)ccc3n2)=N1 ZINC000019866193 556934472 /nfs/dbraw/zinc/93/44/72/556934472.db2.gz YJGGFQVJYUONEI-SFHVURJKSA-N 0 0 432.484 2.940 50 0 IFAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000019880892 556937074 /nfs/dbraw/zinc/93/70/74/556937074.db2.gz GVINMWYBWOGXFB-RTWAWAEBSA-N 0 0 436.512 2.776 50 0 IFAARN CCOC(=O)N1CCN(Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)C2CC2)CC1 ZINC000019883974 556937963 /nfs/dbraw/zinc/93/79/63/556937963.db2.gz CWIVQPOUCQRTDA-UHFFFAOYSA-N 0 0 446.529 2.706 50 0 IFAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000019894133 556939989 /nfs/dbraw/zinc/93/99/89/556939989.db2.gz JKKTTWYHKIQCJE-PMACEKPBSA-N 0 0 428.485 2.688 50 0 IFAARN COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000019897805 556940958 /nfs/dbraw/zinc/94/09/58/556940958.db2.gz BBYJMJUPIVNOLJ-OAQYLSRUSA-N 0 0 438.455 2.818 50 0 IFAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)NCCCN1CCOCC1 ZINC000019920700 556943912 /nfs/dbraw/zinc/94/39/12/556943912.db2.gz ILVMGQSPEXPWBI-RUZDIDTESA-N 0 0 446.551 2.860 50 0 IFAARN COc1ncccc1C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000019939766 556953199 /nfs/dbraw/zinc/95/31/99/556953199.db2.gz JOKUPHDENREBJP-JOCHJYFZSA-N 0 0 448.567 2.677 50 0 IFAARN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCN2CCOCC2)ccc1C ZINC000019943686 556953932 /nfs/dbraw/zinc/95/39/32/556953932.db2.gz MDFYYEUGRXXVJD-UHFFFAOYSA-N 0 0 431.558 2.556 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc(Nc3ncccn3)n2)cc1C ZINC000072376359 556954505 /nfs/dbraw/zinc/95/45/05/556954505.db2.gz VQLMBWPVUSVYKY-QGZVFWFLSA-N 0 0 426.502 2.853 50 0 IFAARN COc1cc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)cc(OC)c1 ZINC000072437090 556972666 /nfs/dbraw/zinc/97/26/66/556972666.db2.gz DQWOJYRUAQVHIS-UHFFFAOYSA-N 0 0 437.504 2.650 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)c(OC)c1 ZINC000072437596 556972791 /nfs/dbraw/zinc/97/27/91/556972791.db2.gz IVURZWXEHCKJAD-UHFFFAOYSA-N 0 0 426.521 2.838 50 0 IFAARN Cc1ccc(-n2nc(N3CCCN(S(=O)(=O)c4ccccc4F)CC3)ccc2=O)cc1 ZINC000033264849 556974846 /nfs/dbraw/zinc/97/48/46/556974846.db2.gz DIYVERQXRYZQQK-UHFFFAOYSA-N 0 0 442.516 2.581 50 0 IFAARN O=c1ccccn1CCNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000097001923 556978518 /nfs/dbraw/zinc/97/85/18/556978518.db2.gz IHAONNZLQZNXHB-UHFFFAOYSA-N 0 0 440.344 2.713 50 0 IFAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(NC(C)=O)cc2)n2c3ccccc3nc21 ZINC000020103407 556980747 /nfs/dbraw/zinc/98/07/47/556980747.db2.gz UVYLTSPSFNNJJI-HXUWFJFHSA-N 0 0 435.484 2.948 50 0 IFAARN O=C(c1c[nH]nc1-c1ccc2c(c1)OCCO2)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000043730803 556981338 /nfs/dbraw/zinc/98/13/38/556981338.db2.gz ATIRIMBNWSMVJN-UHFFFAOYSA-N 0 0 436.443 2.585 50 0 IFAARN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O ZINC000097109055 556989813 /nfs/dbraw/zinc/98/98/13/556989813.db2.gz GECCAOHJYFQHQO-LBPRGKRZSA-N 0 0 443.447 2.857 50 0 IFAARN COc1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CN(S(=O)(=O)c2cccs2)CC4)cc1 ZINC000097138467 556991677 /nfs/dbraw/zinc/99/16/77/556991677.db2.gz IPTRGYBGEQTDBU-UHFFFAOYSA-N 0 0 442.522 2.507 50 0 IFAARN Cc1sc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)NCCN1CCOCC1 ZINC000097138111 556991732 /nfs/dbraw/zinc/99/17/32/556991732.db2.gz XOUCFBZREWWMMR-UHFFFAOYSA-N 0 0 429.517 2.621 50 0 IFAARN CCOc1ccccc1CN1CCN(Cc2ccc(N3CCNC3=O)cc2)C[C@@H]1CCO ZINC000076837367 556993245 /nfs/dbraw/zinc/99/32/45/556993245.db2.gz XZVGROKWGSROOG-QHCPKHFHSA-N 0 0 438.572 2.684 50 0 IFAARN C[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000023078875 556996192 /nfs/dbraw/zinc/99/61/92/556996192.db2.gz IVOWEJSZHFSNNK-SNVBAGLBSA-N 0 0 428.272 2.728 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000010680230 557000646 /nfs/dbraw/zinc/00/06/46/557000646.db2.gz JVQWMSHFHRYQBU-UHFFFAOYSA-N 0 0 428.601 2.832 50 0 IFAARN COC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)cc1 ZINC000023098327 557000670 /nfs/dbraw/zinc/00/06/70/557000670.db2.gz PWAASNFHQQIONI-IBGZPJMESA-N 0 0 443.500 2.685 50 0 IFAARN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc32)N2CCOCC2)cc1 ZINC000023106993 557001698 /nfs/dbraw/zinc/00/16/98/557001698.db2.gz ZKQJMALEYHWRLT-HSZRJFAPSA-N 0 0 432.524 2.980 50 0 IFAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1nc2ccccc2s1 ZINC000023107227 557001867 /nfs/dbraw/zinc/00/18/67/557001867.db2.gz VRRINYLRKLCNBB-QGZVFWFLSA-N 0 0 428.489 2.564 50 0 IFAARN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2C)N2CCOCC2)cc1 ZINC000023107511 557002142 /nfs/dbraw/zinc/00/21/42/557002142.db2.gz PUGMYBUXRAZDQS-HXUWFJFHSA-N 0 0 431.920 2.785 50 0 IFAARN COCCN(CC(=O)NCCc1ccc(OC(F)F)c(OC)c1)C(=O)OC(C)(C)C ZINC000097212509 557005257 /nfs/dbraw/zinc/00/52/57/557005257.db2.gz YJOFPODHZROXRE-UHFFFAOYSA-N 0 0 432.464 2.839 50 0 IFAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccn2)N1CCN1CCOCC1 ZINC000020308168 557006530 /nfs/dbraw/zinc/00/65/30/557006530.db2.gz RYSWXZGKGVCHIZ-LJQANCHMSA-N 0 0 425.872 2.719 50 0 IFAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2F)N1CCN1CCOCC1 ZINC000020310783 557007456 /nfs/dbraw/zinc/00/74/56/557007456.db2.gz DQRICBVBOOVQGT-HXUWFJFHSA-N 0 0 426.419 2.949 50 0 IFAARN Cc1cc(OCC(=O)NCCNC(=O)c2nc(-c3ccccc3F)no2)ccc1Cl ZINC000020352448 557009127 /nfs/dbraw/zinc/00/91/27/557009127.db2.gz PGVKJIBGNQCCNS-UHFFFAOYSA-N 0 0 432.839 2.763 50 0 IFAARN COc1ccccc1NC(=O)Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2)c1=O ZINC000020353576 557009466 /nfs/dbraw/zinc/00/94/66/557009466.db2.gz MLZPHOZGQMBQFS-UHFFFAOYSA-N 0 0 430.464 2.812 50 0 IFAARN CCOC(=O)C1=C(C)N=C2SC(C(=O)OC)=CC(=O)N2[C@H]1c1cccc(OC)c1OC ZINC000020353574 557009500 /nfs/dbraw/zinc/00/95/00/557009500.db2.gz SLJALIOESQDLCD-KRWDZBQOSA-N 0 0 446.481 2.584 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 ZINC000011251929 557009480 /nfs/dbraw/zinc/00/94/80/557009480.db2.gz UEKWMPPAYCPTIP-UHFFFAOYSA-N 0 0 430.448 2.946 50 0 IFAARN COCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3Cl)no2)c1=O ZINC000023126694 557011334 /nfs/dbraw/zinc/01/13/34/557011334.db2.gz NZMQCBZRRNGEOV-UHFFFAOYSA-N 0 0 426.860 2.951 50 0 IFAARN CCCNC(=O)[C@H](C)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000043746585 557012753 /nfs/dbraw/zinc/01/27/53/557012753.db2.gz CFPVYVPWJQGPJO-OTPBECDQSA-N 0 0 430.508 2.669 50 0 IFAARN COc1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)s2)cc1 ZINC000097000693 557013433 /nfs/dbraw/zinc/01/34/33/557013433.db2.gz PAQBIVYMBDSHKT-UHFFFAOYSA-N 0 0 431.495 2.909 50 0 IFAARN CSc1ccc(-c2noc(Cn3cnc4c(nnn4-c4ccc(F)cc4)c3=O)n2)cc1 ZINC000045971107 557013930 /nfs/dbraw/zinc/01/39/30/557013930.db2.gz SGOBXINOVWIWRR-UHFFFAOYSA-N 0 0 435.444 2.937 50 0 IFAARN O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000020426342 557015459 /nfs/dbraw/zinc/01/54/59/557015459.db2.gz LGFSVNOJIAEVME-UHFFFAOYSA-N 0 0 434.540 2.595 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4nc(C)sc4c3)CC2)cc1 ZINC000020427074 557015832 /nfs/dbraw/zinc/01/58/32/557015832.db2.gz YOUVRAVTZUHHQU-UHFFFAOYSA-N 0 0 431.539 2.760 50 0 IFAARN COc1cccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c1 ZINC000045998158 557015811 /nfs/dbraw/zinc/01/58/11/557015811.db2.gz VXXMVASOFTZWHV-UHFFFAOYSA-N 0 0 434.562 2.958 50 0 IFAARN CC(C)c1ccc(OCC(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)cc1 ZINC000023134414 557017320 /nfs/dbraw/zinc/01/73/20/557017320.db2.gz KWGGVCULGFXFMX-UHFFFAOYSA-N 0 0 438.507 2.648 50 0 IFAARN CC[C@H](C)C(=O)C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000023129650 557018324 /nfs/dbraw/zinc/01/83/24/557018324.db2.gz CYHWKDZTWLHOEJ-RXVVDRJESA-N 0 0 443.563 2.714 50 0 IFAARN Cn1nc2c(c1NC(=O)[C@H]1CCCN(S(=O)(=O)c3ccc(Cl)s3)C1)CCC2 ZINC000023135748 557018776 /nfs/dbraw/zinc/01/87/76/557018776.db2.gz SWPQUKVSJDHBMN-NSHDSACASA-N 0 0 428.967 2.663 50 0 IFAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000010707316 557019511 /nfs/dbraw/zinc/01/95/11/557019511.db2.gz QYJSTROQPPKJTI-UHFFFAOYSA-N 0 0 429.542 2.571 50 0 IFAARN CCCC(CCC)C(=O)NCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000010705333 557019983 /nfs/dbraw/zinc/01/99/83/557019983.db2.gz DVJVSXLMZVWOEJ-UHFFFAOYSA-N 0 0 426.579 2.724 50 0 IFAARN COc1cc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)cc(OC)c1OC ZINC000032943713 557021083 /nfs/dbraw/zinc/02/10/83/557021083.db2.gz PLVWZAMHFPEILG-UHFFFAOYSA-N 0 0 438.527 2.972 50 0 IFAARN COc1ccc(/C=C/C(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)cc1 ZINC000010727152 557021451 /nfs/dbraw/zinc/02/14/51/557021451.db2.gz YITCRSRYIDHEEZ-VSRDTVRMSA-N 0 0 435.542 2.600 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)Cc2c(C)nc(SCc3ccccc3)[nH]c2=O)CC1 ZINC000023138481 557021701 /nfs/dbraw/zinc/02/17/01/557021701.db2.gz SYQQSOLBOJMRNQ-UHFFFAOYSA-N 0 0 444.557 2.650 50 0 IFAARN COCCNC(=O)Cn1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CSC2 ZINC000023138906 557022410 /nfs/dbraw/zinc/02/24/10/557022410.db2.gz CIMQBLDLBZTRQA-UHFFFAOYSA-N 0 0 428.436 2.664 50 0 IFAARN CCn1nc(-c2ccc(C)c(S(=O)(=O)NCc3cccnc3)c2)c2c(c1=O)CCCC2 ZINC000046027527 557023477 /nfs/dbraw/zinc/02/34/77/557023477.db2.gz QQNMXYIINJBNKS-UHFFFAOYSA-N 0 0 438.553 2.991 50 0 IFAARN CCn1nc(-c2ccc(C)c(S(=O)(=O)NCc3ccccn3)c2)c2c(c1=O)CCCC2 ZINC000046027536 557023606 /nfs/dbraw/zinc/02/36/06/557023606.db2.gz MFYZXVBOPFGHEZ-UHFFFAOYSA-N 0 0 438.553 2.991 50 0 IFAARN O=C(Cn1nc2c(c1NC(=O)c1ccc3c(c1)OCO3)CSC2)NCc1ccccc1 ZINC000023139433 557024474 /nfs/dbraw/zinc/02/44/74/557024474.db2.gz KBLAQACVDRXHNJ-UHFFFAOYSA-N 0 0 436.493 2.927 50 0 IFAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)c1ccc(Br)s1)C2=O ZINC000010757963 557024581 /nfs/dbraw/zinc/02/45/81/557024581.db2.gz SCYBWPOVJFHQOD-QGHHPUGFSA-N 0 0 443.319 2.737 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc1 ZINC000010762369 557025175 /nfs/dbraw/zinc/02/51/75/557025175.db2.gz AQBMNYAFWAJQLQ-UHFFFAOYSA-N 0 0 449.960 2.797 50 0 IFAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000010772406 557025732 /nfs/dbraw/zinc/02/57/32/557025732.db2.gz LUAZCPSKHVSXKF-UHFFFAOYSA-N 0 0 438.480 2.545 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)c1C ZINC000046046340 557026031 /nfs/dbraw/zinc/02/60/31/557026031.db2.gz XLQWLDOKAKFPCN-IBGZPJMESA-N 0 0 440.544 2.691 50 0 IFAARN O=C(OCCOc1ccccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000010792668 557027330 /nfs/dbraw/zinc/02/73/30/557027330.db2.gz ZTXZBXKGXOBGNK-UHFFFAOYSA-N 0 0 443.880 2.736 50 0 IFAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)CC1 ZINC000046054026 557027450 /nfs/dbraw/zinc/02/74/50/557027450.db2.gz GSGINURXXMPLNW-UHFFFAOYSA-N 0 0 432.542 2.954 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C)c(F)c3)c(C)cc2NC1=O ZINC000046056212 557027766 /nfs/dbraw/zinc/02/77/66/557027766.db2.gz PHHZJSGZONTIEX-KRWDZBQOSA-N 0 0 449.504 2.811 50 0 IFAARN COC(=O)C1CC[NH+]([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(OC)c(OC)c2)CC1 ZINC000023157094 557029839 /nfs/dbraw/zinc/02/98/39/557029839.db2.gz ZZBIIPBTRPYTET-KRWDZBQOSA-N 0 0 446.529 2.796 50 0 IFAARN O=C(COC(=O)c1ccc(Cn2cccn2)cc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000010822098 557030645 /nfs/dbraw/zinc/03/06/45/557030645.db2.gz XDSOQYZJNZHTGY-UHFFFAOYSA-N 0 0 436.859 2.961 50 0 IFAARN COC(=O)C1CCN(C2=C(C(=O)Nc3ccccc3)S(=O)(=O)c3ccccc32)CC1 ZINC000010824513 557030875 /nfs/dbraw/zinc/03/08/75/557030875.db2.gz KVOLPKJOVABECJ-UHFFFAOYSA-N 0 0 426.494 2.666 50 0 IFAARN COc1ccccc1-n1c2nc(C)cc(C)c2c(=O)n(CC(=O)Nc2ccccc2)c1=O ZINC000046077220 557033059 /nfs/dbraw/zinc/03/30/59/557033059.db2.gz LDCXTXUNCSVJAS-UHFFFAOYSA-N 0 0 430.464 2.812 50 0 IFAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)NCCN4CCOCC4)cc3)C2=O)c1 ZINC000046079520 557034606 /nfs/dbraw/zinc/03/46/06/557034606.db2.gz AWDBAXJKLVYKHG-UHFFFAOYSA-N 0 0 436.556 2.889 50 0 IFAARN O=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000017178828 557038108 /nfs/dbraw/zinc/03/81/08/557038108.db2.gz NSDOGSBXASHDJP-NRFANRHFSA-N 0 0 440.521 2.660 50 0 IFAARN CC(C)C[C@@H](C(=O)OCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000010860503 557039320 /nfs/dbraw/zinc/03/93/20/557039320.db2.gz MKQIIOWQCJODEN-IBGZPJMESA-N 0 0 434.448 2.537 50 0 IFAARN O=C(CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2)Nc1ccc2c(c1)OCO2 ZINC000017204089 557041461 /nfs/dbraw/zinc/04/14/61/557041461.db2.gz VAJKFNAMZKVHKU-UHFFFAOYSA-N 0 0 436.493 2.635 50 0 IFAARN O=C(c1ccc(Cl)cc1)N(CCS(=O)(=O)N1CCNCC1)C1CCCCCC1 ZINC000046140789 557042317 /nfs/dbraw/zinc/04/23/17/557042317.db2.gz PTRDGCDBXAQQHS-UHFFFAOYSA-N 0 0 427.998 2.740 50 0 IFAARN COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000046145157 557043323 /nfs/dbraw/zinc/04/33/23/557043323.db2.gz PLDYBFUCANAMKU-UHFFFAOYSA-N 0 0 438.933 2.940 50 0 IFAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)NC4CCCCCCC4)cc32)no1 ZINC000046145502 557043662 /nfs/dbraw/zinc/04/36/62/557043662.db2.gz OIEKJDBOGWNEIA-UHFFFAOYSA-N 0 0 434.518 2.695 50 0 IFAARN COc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)c2ccco2)n(C)c(=O)n3C)cc1 ZINC000046146205 557044645 /nfs/dbraw/zinc/04/46/45/557044645.db2.gz AMEVPVNVUNGEKY-UHFFFAOYSA-N 0 0 441.465 2.564 50 0 IFAARN O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)NCc1ccc(F)cc1 ZINC000051357846 557045193 /nfs/dbraw/zinc/04/51/93/557045193.db2.gz JRDHKCIYXJBHQS-UHFFFAOYSA-N 0 0 435.430 2.806 50 0 IFAARN COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN(C)Cc3ccccc3Cl)nc(=O)c12 ZINC000017288674 557045616 /nfs/dbraw/zinc/04/56/16/557045616.db2.gz OXGCPJXHBTVIDJ-UHFFFAOYSA-N 0 0 449.916 2.772 50 0 IFAARN O=C(CN1CCN(CC(=O)N(Cc2ccccc2F)C2CC2)CC1)Nc1cccc(F)c1 ZINC000022919949 557047038 /nfs/dbraw/zinc/04/70/38/557047038.db2.gz GVDIDAKHSUKKSU-UHFFFAOYSA-N 0 0 442.510 2.712 50 0 IFAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)n1 ZINC000048236949 557047639 /nfs/dbraw/zinc/04/76/39/557047639.db2.gz RFNRBQQCVIRMBL-UPCLLVRISA-N 0 0 437.544 2.641 50 0 IFAARN O=C(CCc1nc(CSc2n[nH]c(-c3cccc(F)c3)n2)no1)Nc1nncs1 ZINC000033270948 557048221 /nfs/dbraw/zinc/04/82/21/557048221.db2.gz VIDXCISUUDDCIE-UHFFFAOYSA-N 0 0 432.466 2.709 50 0 IFAARN CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc3nnc(C)n3n2)cc1OCC ZINC000033271315 557048894 /nfs/dbraw/zinc/04/88/94/557048894.db2.gz XOXWZNSNZYFRDB-OAHLLOKOSA-N 0 0 433.472 2.890 50 0 IFAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc3nnc(C)n3n2)cc1OC ZINC000033271305 557048965 /nfs/dbraw/zinc/04/89/65/557048965.db2.gz GYRJANOYSZMANH-OAHLLOKOSA-N 0 0 433.472 2.890 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000048263970 557050612 /nfs/dbraw/zinc/05/06/12/557050612.db2.gz DXTWXKAYWFCBQL-GHMZBOCLSA-N 0 0 443.875 2.919 50 0 IFAARN Cc1ccc(CNC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1F ZINC000022934684 557052058 /nfs/dbraw/zinc/05/20/58/557052058.db2.gz DPMTVXLEAOSSQF-UHFFFAOYSA-N 0 0 432.927 2.660 50 0 IFAARN Cc1noc(C)c1COc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022971343 557055050 /nfs/dbraw/zinc/05/50/50/557055050.db2.gz PCMCZXFKBZPIOR-UHFFFAOYSA-N 0 0 443.525 2.887 50 0 IFAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000048275775 557055934 /nfs/dbraw/zinc/05/59/34/557055934.db2.gz KSGRSNAZELXKQF-IOFSEFHDSA-N 0 0 446.613 2.934 50 0 IFAARN O=C(NCc1ccnc(N2CCOCC2)c1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000048276577 557056478 /nfs/dbraw/zinc/05/64/78/557056478.db2.gz YCVMPOFJGACLDU-QGZVFWFLSA-N 0 0 449.477 2.865 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1cc2ccccc2c(=O)[nH]1 ZINC000023004678 557056756 /nfs/dbraw/zinc/05/67/56/557056756.db2.gz ZDCZZUNYESNREM-UHFFFAOYSA-N 0 0 425.388 2.621 50 0 IFAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000023010634 557057039 /nfs/dbraw/zinc/05/70/39/557057039.db2.gz PZDYJYMGSUBMAD-UHFFFAOYSA-N 0 0 437.418 2.994 50 0 IFAARN O=C(CCc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1)NC1CCCC1 ZINC000033276878 557057382 /nfs/dbraw/zinc/05/73/82/557057382.db2.gz PAONLRCVZRBYSQ-UHFFFAOYSA-N 0 0 432.546 2.903 50 0 IFAARN O=C(Cn1c2ccccc2n(C2=CCCCC2)c1=O)NC1CCN(c2ncccn2)CC1 ZINC000048285866 557058169 /nfs/dbraw/zinc/05/81/69/557058169.db2.gz VJKTXPCQDUFCHX-UHFFFAOYSA-N 0 0 432.528 2.793 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccnc3N3CCCC3)CC2)cc1 ZINC000048303684 557058870 /nfs/dbraw/zinc/05/88/70/557058870.db2.gz OUMUDPMQCCHOHU-UHFFFAOYSA-N 0 0 444.557 2.730 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN2CCc3[nH]c4c(C)cc(OC)cc4c(=O)c3C2)c1 ZINC000033278741 557060828 /nfs/dbraw/zinc/06/08/28/557060828.db2.gz YPURNCYPDRVNSD-UHFFFAOYSA-N 0 0 437.496 2.859 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCC4)C3)c2)no1 ZINC000033279154 557061447 /nfs/dbraw/zinc/06/14/47/557061447.db2.gz MQBYNTDGWHKNHM-AWEZNQCLSA-N 0 0 438.575 2.956 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCC(C)CC4)C3)c2)no1 ZINC000033279183 557061472 /nfs/dbraw/zinc/06/14/72/557061472.db2.gz MVONNGUFPTYOFD-OAHLLOKOSA-N 0 0 438.575 2.766 50 0 IFAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1=O ZINC000023076344 557062111 /nfs/dbraw/zinc/06/21/11/557062111.db2.gz UJPYUYYSTKRIIS-DEOSSOPVSA-N 0 0 434.496 2.765 50 0 IFAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000023078094 557062186 /nfs/dbraw/zinc/06/21/86/557062186.db2.gz AHQHWGMDKOXCCM-QHCPKHFHSA-N 0 0 428.448 2.927 50 0 IFAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccnc4)C3)c2)no1 ZINC000033279334 557062272 /nfs/dbraw/zinc/06/22/72/557062272.db2.gz ZUIXBKUNRRTOPM-ZDUSSCGKSA-N 0 0 447.542 2.795 50 0 IFAARN CC(C)c1noc(CCCC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000048300495 557062384 /nfs/dbraw/zinc/06/23/84/557062384.db2.gz HVAPTJSQRKOJJI-UHFFFAOYSA-N 0 0 438.525 2.624 50 0 IFAARN Cc1ccc(Cn2c3nn(Cc4cccc(Cl)c4)c(=O)n3c3cn(C)nc3c2=O)cc1 ZINC000033280871 557063226 /nfs/dbraw/zinc/06/32/26/557063226.db2.gz SOQZLIZCPHRPQV-UHFFFAOYSA-N 0 0 434.887 2.603 50 0 IFAARN CC(C)NS(=O)(=O)c1cccc(CNC(=O)CCc2nnc(-c3ccsc3)o2)c1 ZINC000023111783 557064069 /nfs/dbraw/zinc/06/40/69/557064069.db2.gz YDVLJPDQIBWLHI-UHFFFAOYSA-N 0 0 434.543 2.734 50 0 IFAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCN(Cc3cc(C)no3)CC2)c1 ZINC000048302940 557064320 /nfs/dbraw/zinc/06/43/20/557064320.db2.gz ZWNZXAUFSZWWCS-UHFFFAOYSA-N 0 0 427.505 2.720 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)cc1 ZINC000023125834 557065182 /nfs/dbraw/zinc/06/51/82/557065182.db2.gz DDUXQJDGQYTQJD-UHFFFAOYSA-N 0 0 430.420 2.991 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCc3ccccc32)c1 ZINC000023125311 557065237 /nfs/dbraw/zinc/06/52/37/557065237.db2.gz XIGVCOJWAIEGGD-UHFFFAOYSA-N 0 0 443.569 2.757 50 0 IFAARN Cc1cccc(Sc2nccnc2N2CCC[C@@H](C(=O)NCCN3CCOCC3)C2)c1 ZINC000033288775 557066082 /nfs/dbraw/zinc/06/60/82/557066082.db2.gz ZLIHVKRBEZLQOA-LJQANCHMSA-N 0 0 441.601 2.601 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3F)c2)o1 ZINC000048325267 557066208 /nfs/dbraw/zinc/06/62/08/557066208.db2.gz YWLOMNREHDSMJY-UHFFFAOYSA-N 0 0 445.472 2.851 50 0 IFAARN Cc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(S(C)(=O)=O)cc4)C3)o2)cc1 ZINC000033291398 557069361 /nfs/dbraw/zinc/06/93/61/557069361.db2.gz OICGFDASXPTBRB-HNNXBMFYSA-N 0 0 440.481 2.554 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccnc3-n3cccn3)CC2)cc1 ZINC000023177253 557071049 /nfs/dbraw/zinc/07/10/49/557071049.db2.gz AAWRJPYQSPBODB-UHFFFAOYSA-N 0 0 425.514 2.615 50 0 IFAARN CC(C)CN(C(=O)CSc1nc2cc(Cl)ccc2n1C)[C@H]1CCS(=O)(=O)C1 ZINC000048353909 557072390 /nfs/dbraw/zinc/07/23/90/557072390.db2.gz ZYMOFJFSUFNQGV-AWEZNQCLSA-N 0 0 429.995 2.991 50 0 IFAARN O=C(CCN1C(=O)COc2ccccc21)Nc1cc2c(cc1Br)OCCO2 ZINC000017365898 557074543 /nfs/dbraw/zinc/07/45/43/557074543.db2.gz PNGQRNDPZABSQY-UHFFFAOYSA-N 0 0 433.258 2.975 50 0 IFAARN CCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1 ZINC000033298882 557074878 /nfs/dbraw/zinc/07/48/78/557074878.db2.gz ZWVPMYXASKHSKF-UHFFFAOYSA-N 0 0 440.524 2.662 50 0 IFAARN O=C(Cn1c(=O)cnc2ccccc21)NC1(c2cccc(Br)c2)CCOCC1 ZINC000048374479 557075595 /nfs/dbraw/zinc/07/55/95/557075595.db2.gz KRYPMROPDDHLIE-UHFFFAOYSA-N 0 0 442.313 2.981 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000023257721 557079826 /nfs/dbraw/zinc/07/98/26/557079826.db2.gz UMGNISCESITPIG-AREMUKBSSA-N 0 0 448.567 2.640 50 0 IFAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(CCOc3ccccc3)CC2)C1=O ZINC000023257457 557079908 /nfs/dbraw/zinc/07/99/08/557079908.db2.gz CIUZUJKQSHQBDD-SANMLTNESA-N 0 0 448.567 2.596 50 0 IFAARN COc1ccc(NC(=O)CCc2c(C)nc(SC)nc2C)cc1S(=O)(=O)N(C)C ZINC000023322354 557083777 /nfs/dbraw/zinc/08/37/77/557083777.db2.gz BVQBEVPFZIKKKR-UHFFFAOYSA-N 0 0 438.575 2.646 50 0 IFAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(Br)ccc2O)cc1 ZINC000023324849 557084140 /nfs/dbraw/zinc/08/41/40/557084140.db2.gz NYCPBTWJKBZOGD-UHFFFAOYSA-N 0 0 434.290 2.678 50 0 IFAARN COC(=O)c1ccc(Cn2nc3c(-c4nc(-c5cccc(F)c5)no4)cccn3c2=O)o1 ZINC000049006631 557085392 /nfs/dbraw/zinc/08/53/92/557085392.db2.gz DSICMPDANRYBAD-UHFFFAOYSA-N 0 0 435.371 2.780 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(N3CCSCC3)c3ccccc3c2=O)cc1OC ZINC000049007238 557085686 /nfs/dbraw/zinc/08/56/86/557085686.db2.gz WZSUIKPJHRKPFM-UHFFFAOYSA-N 0 0 440.525 2.606 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)CNC(=O)c3c[nH]c4ccccc43)sc2c1 ZINC000049027826 557088238 /nfs/dbraw/zinc/08/82/38/557088238.db2.gz XPRKQVDNQMOWFT-UHFFFAOYSA-N 0 0 428.495 2.550 50 0 IFAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccc[nH]c1=O ZINC000011325413 557088555 /nfs/dbraw/zinc/08/85/55/557088555.db2.gz FUILIWRARJQNPO-UHFFFAOYSA-N 0 0 427.438 2.612 50 0 IFAARN O=C(CSc1nnc(CCc2nc3ccccc3s2)o1)N1CCC2(CC1)OCCO2 ZINC000049029020 557088563 /nfs/dbraw/zinc/08/85/63/557088563.db2.gz UTSCGMJAKFWGGR-UHFFFAOYSA-N 0 0 446.554 2.922 50 0 IFAARN COCc1cc(=O)[nH]c2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc12 ZINC000049031149 557089737 /nfs/dbraw/zinc/08/97/37/557089737.db2.gz NLNWQVUWSSKSFH-UHFFFAOYSA-N 0 0 441.509 2.711 50 0 IFAARN COc1ccccc1CNC(=O)Cn1cc(C(=O)N2CCCCC2)c(=O)c2ccc(C)nc21 ZINC000049002188 557089827 /nfs/dbraw/zinc/08/98/27/557089827.db2.gz IRMWTEHVIGPLHQ-UHFFFAOYSA-N 0 0 448.523 2.656 50 0 IFAARN Cc1ccc2c(=O)c(C(=O)N3CCCC3)cn(CC(=O)Nc3ccc(F)cc3F)c2n1 ZINC000049002224 557089881 /nfs/dbraw/zinc/08/98/81/557089881.db2.gz UMIOWUWVPKNPPL-UHFFFAOYSA-N 0 0 426.423 2.858 50 0 IFAARN COc1ccccc1C(=O)N1CCN(c2nc(C)nc3ccc(N4CCOCC4)cc32)CC1 ZINC000033308515 557090070 /nfs/dbraw/zinc/09/00/70/557090070.db2.gz DUACOMYGPUASEP-UHFFFAOYSA-N 0 0 447.539 2.746 50 0 IFAARN COc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(Cc4ccco4)c3=O)n2)cc1 ZINC000049002810 557090432 /nfs/dbraw/zinc/09/04/32/557090432.db2.gz XESHHHWTQQLUQR-UHFFFAOYSA-N 0 0 430.420 2.911 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c4sc(N5CCCC5)nc4ncn3c2=O)cc1Cl ZINC000033309108 557090740 /nfs/dbraw/zinc/09/07/40/557090740.db2.gz BZJHRVOIPWHXQE-UHFFFAOYSA-N 0 0 443.920 2.701 50 0 IFAARN C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000023445678 557092521 /nfs/dbraw/zinc/09/25/21/557092521.db2.gz XNFPJPWNDVWQIQ-HNNXBMFYSA-N 0 0 448.504 2.524 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c4sc(N5CCCCC5)nc4ncn3c2=O)cc1F ZINC000033309295 557092945 /nfs/dbraw/zinc/09/29/45/557092945.db2.gz BEHGWZFEZDGTRQ-UHFFFAOYSA-N 0 0 441.492 2.577 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](c3nccn3C)c3cccc(F)c3)ccc21 ZINC000017522030 557093006 /nfs/dbraw/zinc/09/30/06/557093006.db2.gz GWSDATIGIZBCJB-FQEVSTJZSA-N 0 0 428.489 2.536 50 0 IFAARN Cn1ncc2c1ncnc2N1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000023461363 557093212 /nfs/dbraw/zinc/09/32/12/557093212.db2.gz BOZXFRBTGGMSHB-UHFFFAOYSA-N 0 0 432.509 2.947 50 0 IFAARN CC(C)NC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1 ZINC000033310210 557093599 /nfs/dbraw/zinc/09/35/99/557093599.db2.gz KQNDYAGHASHONP-APWZRJJASA-N 0 0 431.537 2.756 50 0 IFAARN COc1ccc(CCN2C[C@@H](C(=O)NCc3nncn3C3CCCCC3)CCC2=O)cc1 ZINC000023478512 557094056 /nfs/dbraw/zinc/09/40/56/557094056.db2.gz JKVIUZSZDWRCAW-IBGZPJMESA-N 0 0 439.560 2.889 50 0 IFAARN O=C(Cc1ccccc1F)N1CCC[C@H]1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000033310628 557094653 /nfs/dbraw/zinc/09/46/53/557094653.db2.gz KJOSGARFLTYZMS-FQEVSTJZSA-N 0 0 426.488 2.911 50 0 IFAARN C[C@H]1CCCN(c2nccn3c(=O)n(CC(=O)Nc4ccc(Br)cc4)nc23)C1 ZINC000049399886 557095697 /nfs/dbraw/zinc/09/56/97/557095697.db2.gz VVRRZBXSRJQZTG-ZDUSSCGKSA-N 0 0 445.321 2.529 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c(N4C[C@@H](C)C[C@H](C)C4)nccn3c2=O)cc1Cl ZINC000049400289 557095764 /nfs/dbraw/zinc/09/57/64/557095764.db2.gz REMUSAKFEGKXSI-KBPBESRZSA-N 0 0 428.924 2.974 50 0 IFAARN Cn1cc(-c2ccc(F)cc2)c2ncn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)c21 ZINC000049401439 557097035 /nfs/dbraw/zinc/09/70/35/557097035.db2.gz VZRISOZIFJDZKF-UHFFFAOYSA-N 0 0 445.498 2.890 50 0 IFAARN CCn1c(SCC(=O)Nc2cccnc2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000072191591 557100482 /nfs/dbraw/zinc/10/04/82/557100482.db2.gz QIPHIBAWXRPJIK-CQSZACIVSA-N 0 0 440.529 2.923 50 0 IFAARN CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccnc1 ZINC000072191613 557100531 /nfs/dbraw/zinc/10/05/31/557100531.db2.gz OZZQCUISEWBPHH-UHFFFAOYSA-N 0 0 428.493 2.535 50 0 IFAARN O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000049406070 557101296 /nfs/dbraw/zinc/10/12/96/557101296.db2.gz HMALLFCMDSGLPW-UHFFFAOYSA-N 0 0 425.439 2.509 50 0 IFAARN C[C@@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000023628707 557101563 /nfs/dbraw/zinc/10/15/63/557101563.db2.gz KVQQFTCRXLZBEZ-BUBBNXEVSA-N 0 0 434.562 2.653 50 0 IFAARN COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)CC2)cc1 ZINC000049406179 557101535 /nfs/dbraw/zinc/10/15/35/557101535.db2.gz KKCGZJCCDKEEKH-UHFFFAOYSA-N 0 0 439.903 2.964 50 0 IFAARN Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc5c(c4)OCO5)CC3)nn2)c1 ZINC000049406403 557101574 /nfs/dbraw/zinc/10/15/74/557101574.db2.gz AUCNFQGOFNXDFZ-UHFFFAOYSA-N 0 0 447.495 2.647 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3cccc(OC)c3)C2)c1C ZINC000085620792 557102328 /nfs/dbraw/zinc/10/23/28/557102328.db2.gz KMWHLHYYUHPVDV-GOSISDBHSA-N 0 0 441.528 2.985 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(OC)cc2=O)CC1 ZINC000049407613 557102764 /nfs/dbraw/zinc/10/27/64/557102764.db2.gz POCYJJCSEBBWDI-UHFFFAOYSA-N 0 0 434.496 2.521 50 0 IFAARN Cc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)cc1Cl ZINC000049409156 557104019 /nfs/dbraw/zinc/10/40/19/557104019.db2.gz IMFAWQCJGUMOJT-UHFFFAOYSA-N 0 0 437.949 2.869 50 0 IFAARN COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)[nH]n2)cc1S(=O)(=O)N(C)C ZINC000033320925 557104803 /nfs/dbraw/zinc/10/48/03/557104803.db2.gz MTKJDLYFVSGOIA-UHFFFAOYSA-N 0 0 448.932 2.919 50 0 IFAARN O=C(Cn1c(=O)oc2ccccc21)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000585147572 557104833 /nfs/dbraw/zinc/10/48/33/557104833.db2.gz ZXPGZSOKNGJMKL-UHFFFAOYSA-N 0 0 444.491 2.757 50 0 IFAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000023673343 557105078 /nfs/dbraw/zinc/10/50/78/557105078.db2.gz SNOSYCOXVHUHIQ-UHFFFAOYSA-N 0 0 441.315 2.645 50 0 IFAARN CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3cccc(C)c3C)CC2)c1=O ZINC000049409848 557105302 /nfs/dbraw/zinc/10/53/02/557105302.db2.gz CIKAZIXJBMPLAK-UHFFFAOYSA-N 0 0 441.557 2.526 50 0 IFAARN Cn1nc(-c2ccccc2)cc1C(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O ZINC000585147618 557105437 /nfs/dbraw/zinc/10/54/37/557105437.db2.gz HFDODUNWQBTYOK-UHFFFAOYSA-N 0 0 437.525 2.551 50 0 IFAARN CC(C)[C@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc2c(c1)OCCO2 ZINC000023675349 557105609 /nfs/dbraw/zinc/10/56/09/557105609.db2.gz CSTXYDUYGWCQKI-BOBCHSRXSA-N 0 0 429.517 2.772 50 0 IFAARN Cc1ccc(N2CN(CC(=O)NCc3cccs3)S(=O)(=O)c3cccnc32)cc1 ZINC000049411477 557106594 /nfs/dbraw/zinc/10/65/94/557106594.db2.gz GUMYDGGJNHZMRP-UHFFFAOYSA-N 0 0 428.539 2.868 50 0 IFAARN COc1ccc(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)cc1 ZINC000049411516 557106628 /nfs/dbraw/zinc/10/66/28/557106628.db2.gz UXEVRDDRJMDUBD-UHFFFAOYSA-N 0 0 442.472 2.968 50 0 IFAARN CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@]3(CCCC[C@@H]3C)C1=O)O[C@H](C)C2 ZINC000023701087 557107543 /nfs/dbraw/zinc/10/75/43/557107543.db2.gz MJKFMUXNDIJRQZ-AQKDONEWSA-N 0 0 429.517 2.526 50 0 IFAARN O=C(CSc1nc2ccccc2c(NC2CC2)n1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000023702222 557107950 /nfs/dbraw/zinc/10/79/50/557107950.db2.gz RZNCGWPQZFBQJX-UHFFFAOYSA-N 0 0 440.529 2.582 50 0 IFAARN COc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000049421687 557108453 /nfs/dbraw/zinc/10/84/53/557108453.db2.gz ONDWIFNSWWYEAK-UHFFFAOYSA-N 0 0 441.509 2.649 50 0 IFAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000585148508 557109416 /nfs/dbraw/zinc/10/94/16/557109416.db2.gz PEHQELHAERQSJS-UHFFFAOYSA-N 0 0 435.406 2.508 50 0 IFAARN O=C(c1ccc(C(F)(F)F)nc1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000585148480 557109462 /nfs/dbraw/zinc/10/94/62/557109462.db2.gz ITCPTZFJVVWVSV-UHFFFAOYSA-N 0 0 438.328 2.532 50 0 IFAARN O=C(CN1CC(c2nc(-c3cccnc3)no2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000049483697 557109814 /nfs/dbraw/zinc/10/98/14/557109814.db2.gz ZKJHLYJMVPPWSC-UHFFFAOYSA-N 0 0 438.919 2.533 50 0 IFAARN CSCC[C@H](NC(=O)C[C@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 ZINC000409414843 557110052 /nfs/dbraw/zinc/11/00/52/557110052.db2.gz POXGVPCUSCHJNK-ZWKOTPCHSA-N 0 0 437.525 2.988 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000017719999 557111904 /nfs/dbraw/zinc/11/19/04/557111904.db2.gz FHWPONPEAPXXHF-ZIAGYGMSSA-N 0 0 433.390 2.566 50 0 IFAARN CCn1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000017722857 557112647 /nfs/dbraw/zinc/11/26/47/557112647.db2.gz FIHWNQHTWYGRAK-CALCHBBNSA-N 0 0 445.585 2.924 50 0 IFAARN O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1nnc(Cc2ccccc2)s1 ZINC000049549338 557112753 /nfs/dbraw/zinc/11/27/53/557112753.db2.gz RVAGHGFKNQMLQA-UHFFFAOYSA-N 0 0 436.541 2.599 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)cc1 ZINC000017735141 557113093 /nfs/dbraw/zinc/11/30/93/557113093.db2.gz PUOJAQPINWKOAV-UHFFFAOYSA-N 0 0 448.932 2.719 50 0 IFAARN Cn1c(NCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C ZINC000049574160 557113804 /nfs/dbraw/zinc/11/38/04/557113804.db2.gz PVKGBLZKQPRTLM-UHFFFAOYSA-N 0 0 434.283 2.994 50 0 IFAARN CCn1c(SCC(=O)NCC2(N3CCOCC3)CCCCC2)nnc1-c1ccco1 ZINC000023763421 557115283 /nfs/dbraw/zinc/11/52/83/557115283.db2.gz DPUKFAYMGXQQEP-UHFFFAOYSA-N 0 0 433.578 2.801 50 0 IFAARN O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049622735 557115530 /nfs/dbraw/zinc/11/55/30/557115530.db2.gz KRDDIQNCTFCMGC-LJQANCHMSA-N 0 0 432.446 2.948 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000010929807 557116157 /nfs/dbraw/zinc/11/61/57/557116157.db2.gz QZMVFVVWVJQKQM-CQSZACIVSA-N 0 0 429.498 2.872 50 0 IFAARN NC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c2ccccc2O1 ZINC000049643467 557116591 /nfs/dbraw/zinc/11/65/91/557116591.db2.gz PNUCJYASGYPKPM-FDDCHVKYSA-N 0 0 443.503 2.972 50 0 IFAARN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1=O ZINC000023804799 557116814 /nfs/dbraw/zinc/11/68/14/557116814.db2.gz DKUCXXWOLGDBII-CVDCTZTESA-N 0 0 433.552 2.875 50 0 IFAARN O=C(CN1CCN(C(=O)c2cccnc2N2CCCC2)CC1)Nc1ccccc1Cl ZINC000023805058 557116854 /nfs/dbraw/zinc/11/68/54/557116854.db2.gz NKFAIBZQWDOHHK-UHFFFAOYSA-N 0 0 427.936 2.732 50 0 IFAARN Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)o1 ZINC000023805727 557117400 /nfs/dbraw/zinc/11/74/00/557117400.db2.gz AZQXKIVJJHKUQN-MRXNPFEDSA-N 0 0 429.336 2.702 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C)C1 ZINC000049693988 557117897 /nfs/dbraw/zinc/11/78/97/557117897.db2.gz WSOXJAMJMMMBJG-MLFXKNMZSA-N 0 0 432.546 2.863 50 0 IFAARN NC(=O)N1CCC[C@@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000023819828 557119010 /nfs/dbraw/zinc/11/90/10/557119010.db2.gz OBSCGHYJOGTNII-LJQANCHMSA-N 0 0 442.510 2.989 50 0 IFAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000023819972 557119284 /nfs/dbraw/zinc/11/92/84/557119284.db2.gz ZAFACPVDTSZJJG-OAQYLSRUSA-N 0 0 432.524 2.631 50 0 IFAARN CN(Cc1ccc(Br)cc1)Cn1nc([C@H]2CCS(=O)(=O)C2)oc1=S ZINC000023844297 557119489 /nfs/dbraw/zinc/11/94/89/557119489.db2.gz AWXYWTVHDLAGEK-LBPRGKRZSA-N 0 0 432.365 2.960 50 0 IFAARN COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000023844512 557120006 /nfs/dbraw/zinc/12/00/06/557120006.db2.gz ZXZFEDKZUFJOFM-DEOSSOPVSA-N 0 0 435.480 2.558 50 0 IFAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000023880965 557122704 /nfs/dbraw/zinc/12/27/04/557122704.db2.gz CXKYRNQFDWPAGN-UHFFFAOYSA-N 0 0 426.546 2.754 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccncc2)CC1)c1cccs1 ZINC000023882624 557123574 /nfs/dbraw/zinc/12/35/74/557123574.db2.gz WTOSGDLAJFZYLN-NRFANRHFSA-N 0 0 434.565 2.829 50 0 IFAARN O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)NCCc1ccccc1 ZINC000004791668 557124521 /nfs/dbraw/zinc/12/45/21/557124521.db2.gz ZZQODQVDHJUEPK-UHFFFAOYSA-N 0 0 430.302 2.591 50 0 IFAARN CC(=O)N1C[C@@H](C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)Oc2ccccc21 ZINC000023908246 557124726 /nfs/dbraw/zinc/12/47/26/557124726.db2.gz LESATMUKFRVYBN-FQEVSTJZSA-N 0 0 436.537 2.755 50 0 IFAARN O=S1(=O)CC[C@H](Cc2nc3ccccc3n2CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000023908271 557124846 /nfs/dbraw/zinc/12/48/46/557124846.db2.gz NTCSWQRHWFXPPV-GOSISDBHSA-N 0 0 442.560 2.932 50 0 IFAARN COc1cc(CNC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)ccc1OC(F)F ZINC000023923258 557125795 /nfs/dbraw/zinc/12/57/95/557125795.db2.gz IBKGXDLZFPBZCV-SFHVURJKSA-N 0 0 442.484 2.916 50 0 IFAARN COc1cc2[nH]c(=O)n(CCCCCC(=O)NCc3ccccc3)c(=O)c2cc1OC ZINC000004792743 557126137 /nfs/dbraw/zinc/12/61/37/557126137.db2.gz WEBURVVCYREPOK-UHFFFAOYSA-N 0 0 425.485 2.584 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 ZINC000089638962 557126750 /nfs/dbraw/zinc/12/67/50/557126750.db2.gz LGRZHDPPBIVZMK-CQSZACIVSA-N 0 0 441.475 2.746 50 0 IFAARN CC1CCN(c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2Cc2ccco2)CC1 ZINC000011374113 557129418 /nfs/dbraw/zinc/12/94/18/557129418.db2.gz LZICJKFVGKMOPY-UHFFFAOYSA-N 0 0 434.566 2.872 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1F ZINC000011375659 557129626 /nfs/dbraw/zinc/12/96/26/557129626.db2.gz MUODTSRFRQKODY-WBVHZDCISA-N 0 0 449.552 2.861 50 0 IFAARN COc1ccc(OC)c(CN2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CC2)c1 ZINC000023989509 557129996 /nfs/dbraw/zinc/12/99/96/557129996.db2.gz UFOJRHKXVZWOSF-IBGZPJMESA-N 0 0 443.569 2.714 50 0 IFAARN CS(=O)(=O)N1CCc2cc(C(=O)O[C@H](C(=O)N3CCCCC3)c3ccccc3)ccc21 ZINC000017956799 557130628 /nfs/dbraw/zinc/13/06/28/557130628.db2.gz QXQKPPKQCARSLF-NRFANRHFSA-N 0 0 442.537 2.919 50 0 IFAARN COc1cc(OC)cc([C@H](NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c2nccn2C)c1 ZINC000024021777 557131995 /nfs/dbraw/zinc/13/19/95/557131995.db2.gz SAZDBVTUPVMHCG-QFIPXVFZSA-N 0 0 447.495 2.826 50 0 IFAARN OCCN1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(F)cc3)n2)CC1 ZINC000024023478 557132002 /nfs/dbraw/zinc/13/20/02/557132002.db2.gz RCTSZKKMEXIORR-UHFFFAOYSA-N 0 0 433.491 2.813 50 0 IFAARN Cc1cc(Cl)c(C(C)C)cc1OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000024039194 557133312 /nfs/dbraw/zinc/13/33/12/557133312.db2.gz LJPQSEJASFPGQH-ZDUSSCGKSA-N 0 0 426.922 2.843 50 0 IFAARN O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000023250906 557133597 /nfs/dbraw/zinc/13/35/97/557133597.db2.gz XIPWBSHWQNMHFY-UHFFFAOYSA-N 0 0 432.874 2.537 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000024081666 557135567 /nfs/dbraw/zinc/13/55/67/557135567.db2.gz WLKMRJUKYPGSOV-UHFFFAOYSA-N 0 0 427.570 2.819 50 0 IFAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1 ZINC000024361465 557136682 /nfs/dbraw/zinc/13/66/82/557136682.db2.gz NZUZUPITBFLEMY-UHFFFAOYSA-N 0 0 446.573 2.650 50 0 IFAARN Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(Cl)cc1 ZINC000003374256 557137506 /nfs/dbraw/zinc/13/75/06/557137506.db2.gz UETZZRRQIBBDKM-UHFFFAOYSA-N 0 0 437.934 2.514 50 0 IFAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000024165316 557139045 /nfs/dbraw/zinc/13/90/45/557139045.db2.gz NFWNTZRFLUOXMB-UHFFFAOYSA-N 0 0 446.433 2.752 50 0 IFAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCN(c4nnnn4-c4ccccc4)CC3)s2)o1 ZINC000024779977 557139275 /nfs/dbraw/zinc/13/92/75/557139275.db2.gz XGZAIYITSYTDIA-UHFFFAOYSA-N 0 0 435.513 2.958 50 0 IFAARN CCCNC(=O)CNC(=O)c1ccccc1SCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000024178460 557139743 /nfs/dbraw/zinc/13/97/43/557139743.db2.gz YJVNUWUIUIOTTC-UHFFFAOYSA-N 0 0 445.541 2.691 50 0 IFAARN CC(C)[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)O)C(=O)OCc1ccccc1 ZINC000004899995 557143078 /nfs/dbraw/zinc/14/30/78/557143078.db2.gz HJNYSZOPKBPHFX-JRGCBEDISA-N 0 0 442.512 2.546 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)NC(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)[C@@H]1C ZINC000024456526 557147450 /nfs/dbraw/zinc/14/74/50/557147450.db2.gz JWNYPAGYDVUNPH-INMHGKMJSA-N 0 0 431.562 2.557 50 0 IFAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)N(C)Cc1ccccc1 ZINC000024805276 557148026 /nfs/dbraw/zinc/14/80/26/557148026.db2.gz PGJCHVCTQOEBEY-MRXNPFEDSA-N 0 0 432.542 2.967 50 0 IFAARN COC(=O)C[C@@H](NC(=O)c1cc(C)nc2c1c(C)nn2C)c1ccc(OC)c(OC)c1 ZINC000024492163 557148369 /nfs/dbraw/zinc/14/83/69/557148369.db2.gz QLZLHQKFZPWTAH-MRXNPFEDSA-N 0 0 426.473 2.637 50 0 IFAARN O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011451903 557150437 /nfs/dbraw/zinc/15/04/37/557150437.db2.gz UEJXRTROCCKPCK-UHFFFAOYSA-N 0 0 444.582 2.836 50 0 IFAARN COC(=O)c1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000016401019 557151258 /nfs/dbraw/zinc/15/12/58/557151258.db2.gz SMEFJBOUVOTWJA-IBGZPJMESA-N 0 0 441.509 2.922 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ncn(-c3ccccc3)n2)c1 ZINC000011474984 557152488 /nfs/dbraw/zinc/15/24/88/557152488.db2.gz MANYMTHZMOIMIN-UHFFFAOYSA-N 0 0 426.454 2.571 50 0 IFAARN C[C@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000011482006 557152866 /nfs/dbraw/zinc/15/28/66/557152866.db2.gz ZCJKJJUBEFLHEU-LBPRGKRZSA-N 0 0 440.905 2.715 50 0 IFAARN O=C(NCc1ccccc1Cl)C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000043941940 557153051 /nfs/dbraw/zinc/15/30/51/557153051.db2.gz COWZZLYJALPXCI-UHFFFAOYSA-N 0 0 429.904 2.983 50 0 IFAARN CCCNC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000023277504 557153416 /nfs/dbraw/zinc/15/34/16/557153416.db2.gz TVZTVPNEJJWVRV-FZMZJTMJSA-N 0 0 439.361 2.754 50 0 IFAARN COc1ccc(S(=O)(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1OC ZINC000043957255 557154194 /nfs/dbraw/zinc/15/41/94/557154194.db2.gz DBOBOKCUALLRII-UHFFFAOYSA-N 0 0 434.514 2.893 50 0 IFAARN O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000024608745 557154283 /nfs/dbraw/zinc/15/42/83/557154283.db2.gz MSNLEDNWNZWGBQ-UHFFFAOYSA-N 0 0 447.944 2.867 50 0 IFAARN Cc1ccc(-c2noc(CCCN3CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CC3)n2)cc1 ZINC000024822972 557154345 /nfs/dbraw/zinc/15/43/45/557154345.db2.gz UMPCYGZDESUMFB-SFHVURJKSA-N 0 0 441.576 2.673 50 0 IFAARN Cn1ncc2c1ncn(CC(=O)NCCCN1c3ccccc3Sc3ccccc31)c2=O ZINC000024823521 557154371 /nfs/dbraw/zinc/15/43/71/557154371.db2.gz PYHZVPRLLYGYNO-UHFFFAOYSA-N 0 0 446.536 2.939 50 0 IFAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 ZINC000024609146 557154396 /nfs/dbraw/zinc/15/43/96/557154396.db2.gz NPGJTJFLLOQOHB-UHFFFAOYSA-N 0 0 427.526 2.522 50 0 IFAARN CCOc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000095400488 557157124 /nfs/dbraw/zinc/15/71/24/557157124.db2.gz RJSWXUXIBNWNMA-GOSISDBHSA-N 0 0 442.493 2.876 50 0 IFAARN O=S(=O)(c1ccc(SC[C@H]2CCCO2)nc1)N1CCN(Cc2ccccc2)CC1 ZINC000024715700 557160459 /nfs/dbraw/zinc/16/04/59/557160459.db2.gz MUXVLHRBRJYKAK-LJQANCHMSA-N 0 0 433.599 2.859 50 0 IFAARN O=C(NCc1ccccc1OC(F)F)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000024747401 557161755 /nfs/dbraw/zinc/16/17/55/557161755.db2.gz NZYKOJIZBCCBRY-MRXNPFEDSA-N 0 0 440.468 2.675 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1cccc(F)c1 ZINC000024772154 557166229 /nfs/dbraw/zinc/16/62/29/557166229.db2.gz YUPPHXAFRICBKU-QVKFZJNVSA-N 0 0 436.443 2.547 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCc1nc2ccccc2o1 ZINC000024775892 557166559 /nfs/dbraw/zinc/16/65/59/557166559.db2.gz DQFQUDUZTZFDGQ-INIZCTEOSA-N 0 0 430.530 2.592 50 0 IFAARN COc1cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc(Cl)c1OC ZINC000024774891 557166709 /nfs/dbraw/zinc/16/67/09/557166709.db2.gz PGUQKQIKBGPLDX-UHFFFAOYSA-N 0 0 441.919 2.841 50 0 IFAARN O=C(CCCNC(=O)NC1CCCCC1)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000024776323 557167075 /nfs/dbraw/zinc/16/70/75/557167075.db2.gz DWZRFJUQKILKCB-UHFFFAOYSA-N 0 0 426.443 2.776 50 0 IFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000024845943 557174193 /nfs/dbraw/zinc/17/41/93/557174193.db2.gz QJALQJIEIUVYQG-OAHLLOKOSA-N 0 0 441.490 2.864 50 0 IFAARN Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCCCSc1ccc(F)cc1 ZINC000024857795 557174586 /nfs/dbraw/zinc/17/45/86/557174586.db2.gz AIIKAPWOEDQMNF-UHFFFAOYSA-N 0 0 429.521 2.815 50 0 IFAARN Cc1ccc2nc(C)cc(C(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)c2c1 ZINC000024864136 557174914 /nfs/dbraw/zinc/17/49/14/557174914.db2.gz UTDPXEPSVQPLJS-UHFFFAOYSA-N 0 0 439.537 2.803 50 0 IFAARN CN(C(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O)[C@H]1CCCc2ccccc21 ZINC000024880219 557176559 /nfs/dbraw/zinc/17/65/59/557176559.db2.gz OMNICZKCIXGDNU-DFBJGRDBSA-N 0 0 449.507 2.804 50 0 IFAARN CN(C(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O)[C@@H]1CCCc2ccccc21 ZINC000024880223 557176564 /nfs/dbraw/zinc/17/65/64/557176564.db2.gz OMNICZKCIXGDNU-KBMIEXCESA-N 0 0 449.507 2.804 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2ccc(-n3cncn3)nc2)nn1-c1ccccc1C(F)(F)F ZINC000024887949 557177011 /nfs/dbraw/zinc/17/70/11/557177011.db2.gz RSHAQQQYFLIEBN-UHFFFAOYSA-N 0 0 441.373 2.788 50 0 IFAARN Cn1c2c(c(=O)n(C)c1=O)n(CCc1ccccc1)c1nnc(-c3ccccc3Cl)n12 ZINC000010969703 557181102 /nfs/dbraw/zinc/18/11/02/557181102.db2.gz OUMIVPKNCIOBMF-UHFFFAOYSA-N 0 0 434.887 2.645 50 0 IFAARN CCC[C@H](C)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1C[C@H]1CCCO1 ZINC000024959415 557182404 /nfs/dbraw/zinc/18/24/04/557182404.db2.gz BOPQELSVVLSOTB-GOEBONIOSA-N 0 0 447.557 2.759 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@H]3C(=O)NCc3ccncc3)no2)c1 ZINC000096210850 557183218 /nfs/dbraw/zinc/18/32/18/557183218.db2.gz QRPJUEQIDDSZNF-IBGZPJMESA-N 0 0 436.468 2.675 50 0 IFAARN COc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OCC(=O)N1CCOCC1 ZINC000097987586 557183865 /nfs/dbraw/zinc/18/38/65/557183865.db2.gz UGRASHWVZJVPHX-CPNJWEJPSA-N 0 0 436.464 2.586 50 0 IFAARN COc1ccc(C(=O)CSc2nnc(CC(=O)Nc3cccc(OC)c3)n2C)cc1 ZINC000009262670 557184652 /nfs/dbraw/zinc/18/46/52/557184652.db2.gz MCNXIDYDLRDPJI-UHFFFAOYSA-N 0 0 426.498 2.989 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)c3ccc(F)cc3)n2C)cc1OC ZINC000009263290 557184658 /nfs/dbraw/zinc/18/46/58/557184658.db2.gz CIDRFWLFMPDICO-UHFFFAOYSA-N 0 0 444.488 2.876 50 0 IFAARN C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000024984751 557185853 /nfs/dbraw/zinc/18/58/53/557185853.db2.gz UHVMLKFNIWZAAX-HNAYVOBHSA-N 0 0 430.530 2.777 50 0 IFAARN CCCn1c2ccccc2n(CCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1=O ZINC000024984067 557185872 /nfs/dbraw/zinc/18/58/72/557185872.db2.gz XZYUWQKEKIHIQW-UHFFFAOYSA-N 0 0 430.530 2.506 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000024986580 557186479 /nfs/dbraw/zinc/18/64/79/557186479.db2.gz PIHPJVYIFVPDKT-GFCCVEGCSA-N 0 0 439.896 2.911 50 0 IFAARN CN1CCN(C(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000022238522 557186681 /nfs/dbraw/zinc/18/66/81/557186681.db2.gz PSZLSBAXDXTRAD-UHFFFAOYSA-N 0 0 442.368 2.963 50 0 IFAARN Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)c(C)c1 ZINC000024992732 557187999 /nfs/dbraw/zinc/18/79/99/557187999.db2.gz OZSBVHXKVRVSKN-AWEZNQCLSA-N 0 0 436.559 2.778 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)c1 ZINC000025024261 557189754 /nfs/dbraw/zinc/18/97/54/557189754.db2.gz AVYSRGHHBPTBIV-UHFFFAOYSA-N 0 0 440.521 2.811 50 0 IFAARN C[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nc(N)nc(N(C)C)n1 ZINC000025052086 557191331 /nfs/dbraw/zinc/19/13/31/557191331.db2.gz UKRCPEGRGNSIIX-CQSZACIVSA-N 0 0 425.566 2.944 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000025054450 557192098 /nfs/dbraw/zinc/19/20/98/557192098.db2.gz JTGSRJAEFWLSNE-UHFFFAOYSA-N 0 0 441.557 2.819 50 0 IFAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000025058375 557192376 /nfs/dbraw/zinc/19/23/76/557192376.db2.gz XPQRCAFBGUCHLP-MRXNPFEDSA-N 0 0 429.860 2.923 50 0 IFAARN COCCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1c(OC)cccc1OC ZINC000100872445 557193784 /nfs/dbraw/zinc/19/37/84/557193784.db2.gz JQXIRUBIYLEVKZ-DQRAZIAOSA-N 0 0 430.482 2.894 50 0 IFAARN Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 ZINC000025087782 557195259 /nfs/dbraw/zinc/19/52/59/557195259.db2.gz XRCCHBOPPOOULP-UHFFFAOYSA-N 0 0 425.557 2.882 50 0 IFAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000100876971 557195336 /nfs/dbraw/zinc/19/53/36/557195336.db2.gz XLPOQHMWICJKLJ-DQRAZIAOSA-N 0 0 446.481 2.651 50 0 IFAARN O=C([O-])[C@@H](NC(=O)C1CCC(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1 ZINC000025107272 557195498 /nfs/dbraw/zinc/19/54/98/557195498.db2.gz NTLOSRFHIIJIAF-KHNWJHPOSA-N 0 0 449.551 2.566 50 0 IFAARN CCOC(=O)Cn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc(OC)cc1 ZINC000100877735 557197967 /nfs/dbraw/zinc/19/79/67/557197967.db2.gz IYTCEUVNABASFH-LNVKXUELSA-N 0 0 427.482 2.974 50 0 IFAARN COc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1S(=O)(=O)NC(C)(C)C ZINC000025172996 557198651 /nfs/dbraw/zinc/19/86/51/557198651.db2.gz YFHHLXQWJQVJQD-UHFFFAOYSA-N 0 0 445.541 2.933 50 0 IFAARN COC(=O)c1ccc2c(c1)CCN2C(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O ZINC000025179415 557199135 /nfs/dbraw/zinc/19/91/35/557199135.db2.gz XCMPUSZJOUILBW-IBGZPJMESA-N 0 0 438.505 2.780 50 0 IFAARN Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(Cn2ccnc2)c1 ZINC000025181451 557199177 /nfs/dbraw/zinc/19/91/77/557199177.db2.gz NOBYERSIPQBAHP-UHFFFAOYSA-N 0 0 427.530 2.697 50 0 IFAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000018011992 557199995 /nfs/dbraw/zinc/19/99/95/557199995.db2.gz FELQAAMHXYSSLI-UHFFFAOYSA-N 0 0 430.404 2.699 50 0 IFAARN COc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1OC ZINC000072235848 557200481 /nfs/dbraw/zinc/20/04/81/557200481.db2.gz GWFDTGCMBWKSME-UHFFFAOYSA-N 0 0 446.569 2.958 50 0 IFAARN CCOc1ccccc1N1CCN(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)CC1 ZINC000025266557 557202088 /nfs/dbraw/zinc/20/20/88/557202088.db2.gz ROUNFTYEWDSRNN-RUZDIDTESA-N 0 0 434.540 2.948 50 0 IFAARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCN3CCOCC3)c2)c1 ZINC000025285954 557202516 /nfs/dbraw/zinc/20/25/16/557202516.db2.gz JPNFAPIYKGKDRN-UHFFFAOYSA-N 0 0 431.558 2.556 50 0 IFAARN O=C(Cc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000025287006 557202680 /nfs/dbraw/zinc/20/26/80/557202680.db2.gz SKPICOVVIKYIAO-UHFFFAOYSA-N 0 0 447.351 2.725 50 0 IFAARN O=C(NCc1ccnc(N2CCOCC2)c1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000025290089 557202851 /nfs/dbraw/zinc/20/28/51/557202851.db2.gz KFDBJOPNCURUDG-UHFFFAOYSA-N 0 0 441.491 2.547 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000025290399 557202863 /nfs/dbraw/zinc/20/28/63/557202863.db2.gz JKRVKMPUSWLICE-HXUWFJFHSA-N 0 0 430.936 2.642 50 0 IFAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccc(Br)cc1Cl ZINC000011576478 557203282 /nfs/dbraw/zinc/20/32/82/557203282.db2.gz WUAMITPQQBJNEM-JTQLQIEISA-N 0 0 432.731 2.999 50 0 IFAARN O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccc(Br)cc1Cl ZINC000011576483 557203373 /nfs/dbraw/zinc/20/33/73/557203373.db2.gz WUAMITPQQBJNEM-SNVBAGLBSA-N 0 0 432.731 2.999 50 0 IFAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000013984931 557204740 /nfs/dbraw/zinc/20/47/40/557204740.db2.gz SLKXRMFOZVUCQU-KRWDZBQOSA-N 0 0 427.501 2.766 50 0 IFAARN CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)Cn2cnc3sccc3c2=O)cc1 ZINC000013984689 557204845 /nfs/dbraw/zinc/20/48/45/557204845.db2.gz FZWYECDRDVHYOB-CYBMUJFWSA-N 0 0 427.482 2.867 50 0 IFAARN O=C(c1cc(Br)ccc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000025344706 557205680 /nfs/dbraw/zinc/20/56/80/557205680.db2.gz SCRAKOMITLMNSI-UHFFFAOYSA-N 0 0 441.322 2.876 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@H](C)CC(=O)NC(C)C)cc1 ZINC000072296917 557206531 /nfs/dbraw/zinc/20/65/31/557206531.db2.gz JNHDBGFDWUQWPK-QGZVFWFLSA-N 0 0 431.558 2.935 50 0 IFAARN O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000025404475 557208555 /nfs/dbraw/zinc/20/85/55/557208555.db2.gz JTJFBKDWNPUZLH-DEOSSOPVSA-N 0 0 446.503 2.766 50 0 IFAARN Cc1nc(-c2c(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)n3c2CCCCC3)no1 ZINC000169763990 557211491 /nfs/dbraw/zinc/21/14/91/557211491.db2.gz TUERPSDUQPNNLZ-UHFFFAOYSA-N 0 0 443.891 2.695 50 0 IFAARN Cc1nc(-c2c(=O)n(CC(=O)Nc3ccc(C)cc3Cl)c(=O)n3c2CCCCC3)no1 ZINC000169764035 557211717 /nfs/dbraw/zinc/21/17/17/557211717.db2.gz YOAIMBZQTPPSTM-UHFFFAOYSA-N 0 0 443.891 2.695 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)COc3cccc(C)c3)CC2)cc1 ZINC000169770675 557212097 /nfs/dbraw/zinc/21/20/97/557212097.db2.gz HZMFIYXEAYGZNX-UHFFFAOYSA-N 0 0 436.512 2.722 50 0 IFAARN O=S(=O)(c1cccs1)N1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000025480636 557212133 /nfs/dbraw/zinc/21/21/33/557212133.db2.gz ZGRQDZYMXGUTTC-UYAOXDASSA-N 0 0 436.599 2.510 50 0 IFAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000060213983 557213501 /nfs/dbraw/zinc/21/35/01/557213501.db2.gz FFBOEQHIOCKBGE-OAQYLSRUSA-N 0 0 426.860 2.630 50 0 IFAARN COc1ccc(CNC(=O)COC(=O)c2c3ccccc3nc3c2CN(C)CC3)cc1OC ZINC000025562135 557214774 /nfs/dbraw/zinc/21/47/74/557214774.db2.gz GHOJOCYGWMPTGT-UHFFFAOYSA-N 0 0 449.507 2.713 50 0 IFAARN CCCCN1C(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc2C1=O ZINC000025562514 557214804 /nfs/dbraw/zinc/21/48/04/557214804.db2.gz YQMGEEXVRVVWDV-IBGZPJMESA-N 0 0 441.553 2.948 50 0 IFAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC000025573987 557215243 /nfs/dbraw/zinc/21/52/43/557215243.db2.gz KKGYHJWUAVJSPF-GFCCVEGCSA-N 0 0 445.916 2.776 50 0 IFAARN NC(=O)N[C@H](CC(=O)NCc1nnc2ccccn21)c1cccc(Oc2ccccc2)c1 ZINC000025608613 557219130 /nfs/dbraw/zinc/21/91/30/557219130.db2.gz LXYZOCHJQICTFA-LJQANCHMSA-N 0 0 430.468 2.938 50 0 IFAARN O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccccc1Cl ZINC000085894234 557219615 /nfs/dbraw/zinc/21/96/15/557219615.db2.gz NPBFYMGWDHWZCP-GOSISDBHSA-N 0 0 427.888 2.518 50 0 IFAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 ZINC000000802573 557221460 /nfs/dbraw/zinc/22/14/60/557221460.db2.gz TYCPVSDREMVEHV-OAQYLSRUSA-N 0 0 439.468 2.904 50 0 IFAARN CC(C)C[C@H](C(=O)OCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000010860504 557225004 /nfs/dbraw/zinc/22/50/04/557225004.db2.gz MKQIIOWQCJODEN-LJQANCHMSA-N 0 0 434.448 2.537 50 0 IFAARN COc1cccc(-c2nnn(CC(=O)Nc3ccc(C)c(I)c3)n2)c1 ZINC000010901200 557226178 /nfs/dbraw/zinc/22/61/78/557226178.db2.gz QWHRXCBOUAGZST-UHFFFAOYSA-N 0 0 449.252 2.900 50 0 IFAARN COc1cc(NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1 ZINC000011164648 557227351 /nfs/dbraw/zinc/22/73/51/557227351.db2.gz KNARJSIIWFXLIS-UHFFFAOYSA-N 0 0 429.425 2.620 50 0 IFAARN O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000809700 557228884 /nfs/dbraw/zinc/22/88/84/557228884.db2.gz DJVDHCPOUXJFCP-UHFFFAOYSA-N 0 0 431.539 2.876 50 0 aggregator IFAARN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000025901417 557229652 /nfs/dbraw/zinc/22/96/52/557229652.db2.gz PCORALLRVOMANM-AEFFLSMTSA-N 0 0 429.542 2.788 50 0 IFAARN C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000025901411 557229714 /nfs/dbraw/zinc/22/97/14/557229714.db2.gz PCORALLRVOMANM-FUHWJXTLSA-N 0 0 429.542 2.788 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N2CCC[C@H](C)C2)C(C)C)c1 ZINC000025967674 557231390 /nfs/dbraw/zinc/23/13/90/557231390.db2.gz VTRPDXVYQMOJKY-PXNSSMCTSA-N 0 0 437.606 2.730 50 0 IFAARN CC(C)CC(=O)N1CCN([C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 ZINC000024928159 557231527 /nfs/dbraw/zinc/23/15/27/557231527.db2.gz OEGALKBGWUMAMW-CQSZACIVSA-N 0 0 440.466 2.569 50 0 IFAARN Cc1nc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)nn1-c1ccc(F)cc1 ZINC000018047228 557233535 /nfs/dbraw/zinc/23/35/35/557233535.db2.gz HBQYJCAPOVHXMI-FQEVSTJZSA-N 0 0 427.455 2.657 50 0 IFAARN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(-n2ccnc2)cc1 ZINC000018047754 557233543 /nfs/dbraw/zinc/23/35/43/557233543.db2.gz JTUQMRDRBAHHMX-AEFFLSMTSA-N 0 0 432.480 2.874 50 0 IFAARN COCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000032950440 557236783 /nfs/dbraw/zinc/23/67/83/557236783.db2.gz LSJMQTSGIPJNBZ-UHFFFAOYSA-N 0 0 443.529 2.562 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000018094609 557236778 /nfs/dbraw/zinc/23/67/78/557236778.db2.gz SOVCXSAPGPCYCC-UHFFFAOYSA-N 0 0 430.457 2.584 50 0 IFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(=O)c3cc(C)ccc3o2)c(=O)[nH]c1=O ZINC000018119323 557238227 /nfs/dbraw/zinc/23/82/27/557238227.db2.gz DDKKYZXAPDEUBP-UHFFFAOYSA-N 0 0 440.500 2.637 50 0 IFAARN Cc1ccc2oc(C(=O)N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc(=O)c2c1 ZINC000011004449 557239084 /nfs/dbraw/zinc/23/90/84/557239084.db2.gz FXHQCGSYLNRWID-UHFFFAOYSA-N 0 0 444.484 2.777 50 0 IFAARN Cc1ccc(SCCNC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000026397651 557240496 /nfs/dbraw/zinc/24/04/96/557240496.db2.gz PJUUEBAJQWLEAP-FQEVSTJZSA-N 0 0 436.537 2.848 50 0 IFAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000026409223 557240683 /nfs/dbraw/zinc/24/06/83/557240683.db2.gz ULEWKZOTSLCJFO-JXFKEZNVSA-N 0 0 448.541 2.810 50 0 IFAARN O=C(NCc1nc([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1)c1cc(F)ccc1F ZINC000583648897 557241484 /nfs/dbraw/zinc/24/14/84/557241484.db2.gz CTTLKSREBGAGAN-CYBMUJFWSA-N 0 0 430.386 2.933 50 0 IFAARN CCCCC1C(=O)N=C(Sc2cc(O)n(-c3ccc(C(=O)OCC)cc3)c2O)NC1=O ZINC000100120596 557241700 /nfs/dbraw/zinc/24/17/00/557241700.db2.gz FPGIEPAUANAEKH-OAHLLOKOSA-N 0 0 445.497 2.831 50 0 IFAARN CCN1c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000583649021 557241849 /nfs/dbraw/zinc/24/18/49/557241849.db2.gz MSEIOAMBGLMBEA-HXUWFJFHSA-N 0 0 442.541 2.769 50 0 IFAARN O=C(c1ncn(C[C@H](O)c2ccc(F)cc2)n1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000583648990 557241917 /nfs/dbraw/zinc/24/19/17/557241917.db2.gz GYSWSXVJYFFLIM-IBGZPJMESA-N 0 0 429.883 2.767 50 0 IFAARN Cc1ccc([C@@H](NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c2cccs2)cc1 ZINC000026492840 557242617 /nfs/dbraw/zinc/24/26/17/557242617.db2.gz FIIYMXOHRJDRRJ-LJQANCHMSA-N 0 0 425.510 2.996 50 0 IFAARN O=c1/c(=C\c2cccc(Br)c2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12 ZINC000026533996 557243541 /nfs/dbraw/zinc/24/35/41/557243541.db2.gz ODPBZUBOXWEEQX-MHWRWJLKSA-N 0 0 444.285 2.551 50 0 IFAARN CCOc1cc(/C=c2/sc3nc(-c4ccccc4OC)nn3c2=O)ccc1OC(C)=O ZINC000026534108 557243841 /nfs/dbraw/zinc/24/38/41/557243841.db2.gz JGMWXIVOZDHEKY-XDHOZWIPSA-N 0 0 437.477 2.698 50 0 IFAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1 ZINC000026565771 557245170 /nfs/dbraw/zinc/24/51/70/557245170.db2.gz FJCCUEMWYVMOFU-UHFFFAOYSA-N 0 0 425.510 2.888 50 0 IFAARN CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n21 ZINC000018173760 557245627 /nfs/dbraw/zinc/24/56/27/557245627.db2.gz IMGSSVNZFGBASN-FNGUVFISSA-N 0 0 449.532 2.592 50 0 IFAARN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)C(C)C ZINC000026642805 557245806 /nfs/dbraw/zinc/24/58/06/557245806.db2.gz DPWXHYLUOQEQAX-HXUWFJFHSA-N 0 0 431.558 2.947 50 0 IFAARN COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604403932 557246349 /nfs/dbraw/zinc/24/63/49/557246349.db2.gz FCHXSQLYKMXCAZ-KRWDZBQOSA-N 0 0 441.484 2.540 50 0 IFAARN Cc1cc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OCC(C)C)ccc1I ZINC000018193989 557247209 /nfs/dbraw/zinc/24/72/09/557247209.db2.gz HGPAQNYSHOEDER-ZFWWWQNUSA-N 0 0 446.285 2.766 50 0 IFAARN Cc1ccc(N2C(=O)C[C@H](N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)C2=O)cc1 ZINC000100211117 557247714 /nfs/dbraw/zinc/24/77/14/557247714.db2.gz KJHSUPLAYGIXNY-INIZCTEOSA-N 0 0 433.434 2.566 50 0 IFAARN O=C(CN1c2ccccc2OCCC1=O)Nc1cc2c(cc1Br)OCCO2 ZINC000026782073 557248348 /nfs/dbraw/zinc/24/83/48/557248348.db2.gz ORYGUAWTEFPOPF-UHFFFAOYSA-N 0 0 433.258 2.975 50 0 IFAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3c(c1)n(C)c(=O)n3C)c1cn(C)c3cccc(c13)N2 ZINC000604405313 557248953 /nfs/dbraw/zinc/24/89/53/557248953.db2.gz YTRMAMVSNWBBLF-OAQYLSRUSA-N 0 0 441.491 2.569 50 0 IFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCc1nc(-c2ccccc2)no1 ZINC000604419014 557251216 /nfs/dbraw/zinc/25/12/16/557251216.db2.gz KAYLYBNYRZLKCL-IQOKHDRSSA-N 0 0 432.480 2.895 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCc1cc(-c2ccco2)on1 ZINC000018225018 557253023 /nfs/dbraw/zinc/25/30/23/557253023.db2.gz DKTVUERNXCWOQA-UHFFFAOYSA-N 0 0 446.481 2.632 50 0 IFAARN O=C(CSc1nc[nH]n1)N1CCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000018244561 557253736 /nfs/dbraw/zinc/25/37/36/557253736.db2.gz ZBGSGYMGYYFAAH-UHFFFAOYSA-N 0 0 431.525 2.856 50 0 IFAARN COc1ccc(O[C@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)cc1 ZINC000027295309 557259731 /nfs/dbraw/zinc/25/97/31/557259731.db2.gz NXJXIXCAELTSQG-APWZRJJASA-N 0 0 437.496 2.907 50 0 IFAARN COC(=O)C[C@@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(C)cc1 ZINC000027364454 557261310 /nfs/dbraw/zinc/26/13/10/557261310.db2.gz GBFIZXQHNVHELD-JOCHJYFZSA-N 0 0 425.529 2.931 50 0 IFAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(I)cc1 ZINC000027383951 557261537 /nfs/dbraw/zinc/26/15/37/557261537.db2.gz KIQKQBBONMPURX-NSHDSACASA-N 0 0 444.294 2.772 50 0 IFAARN O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccccc1Br ZINC000012997206 557263840 /nfs/dbraw/zinc/26/38/40/557263840.db2.gz CEPSKBUMDSDPPN-UHFFFAOYSA-N 0 0 425.348 2.760 50 0 IFAARN COc1ccc(CN2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2)cc1F ZINC000027541822 557264679 /nfs/dbraw/zinc/26/46/79/557264679.db2.gz IYNMUZQEMAOYDR-UHFFFAOYSA-N 0 0 441.486 2.802 50 0 IFAARN COc1ccc(CN(CC(=O)N2CCCc3ccccc32)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027649025 557268302 /nfs/dbraw/zinc/26/83/02/557268302.db2.gz TZJCONSTHBAAOY-FQEVSTJZSA-N 0 0 428.554 2.664 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000014018245 557282906 /nfs/dbraw/zinc/28/29/06/557282906.db2.gz SCZOTOLXZLQZKZ-IBGZPJMESA-N 0 0 435.358 2.754 50 0 IFAARN CC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000101456004 557286182 /nfs/dbraw/zinc/28/61/82/557286182.db2.gz CFDFKTUQYUVIQB-CYBMUJFWSA-N 0 0 437.319 2.619 50 0 IFAARN Cc1cc(C)cc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCOCC3)CC2)c1 ZINC000101624616 557292806 /nfs/dbraw/zinc/29/28/06/557292806.db2.gz CECGAITZKQTLTA-UHFFFAOYSA-N 0 0 425.529 2.593 50 0 IFAARN COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000101628340 557293334 /nfs/dbraw/zinc/29/33/34/557293334.db2.gz JDVOUYZDRPNJLY-ROUUACIJSA-N 0 0 434.558 2.791 50 0 IFAARN COc1ccccc1CCNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1 ZINC000101702099 557293938 /nfs/dbraw/zinc/29/39/38/557293938.db2.gz ACGJIOXDVNEOSF-UHFFFAOYSA-N 0 0 425.916 2.926 50 0 IFAARN CN(C)[C@@H](CNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1)c1ccco1 ZINC000101703293 557294186 /nfs/dbraw/zinc/29/41/86/557294186.db2.gz BTCXJPUSTDQFIT-KRWDZBQOSA-N 0 0 428.920 2.570 50 0 IFAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc(Cc2ccccc2F)n1N ZINC000014069095 557297382 /nfs/dbraw/zinc/29/73/82/557297382.db2.gz FMCGJHWMPYSTBE-UHFFFAOYSA-N 0 0 443.504 2.591 50 0 IFAARN O=C(Cn1ncn2nc(-c3ccc(Cl)cc3)cc2c1=O)Nc1ccc2c(c1)OCCO2 ZINC000011666404 557298333 /nfs/dbraw/zinc/29/83/33/557298333.db2.gz CCUMUJLOXPYUOG-UHFFFAOYSA-N 0 0 437.843 2.621 50 0 IFAARN CCOC(=O)C(C=Nc1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1C)C(=O)OCC ZINC000102069340 557298345 /nfs/dbraw/zinc/29/83/45/557298345.db2.gz IQLYUQNVUYSHJC-IBGZPJMESA-N 0 0 447.406 2.730 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4F)ncn3n2)cc1 ZINC000011666432 557299907 /nfs/dbraw/zinc/29/99/07/557299907.db2.gz PJMARLFABJPOFX-UHFFFAOYSA-N 0 0 425.395 2.874 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Br)c1 ZINC000014123361 557306097 /nfs/dbraw/zinc/30/60/97/557306097.db2.gz CHGWYDNHPTZYFJ-UHFFFAOYSA-N 0 0 440.315 2.732 50 0 IFAARN COc1ccc(OCCN2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)cc1 ZINC000014136527 557309305 /nfs/dbraw/zinc/30/93/05/557309305.db2.gz BORRBYNXBQCWDR-UHFFFAOYSA-N 0 0 437.540 2.654 50 0 IFAARN CC1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014141775 557310478 /nfs/dbraw/zinc/31/04/78/557310478.db2.gz VKUPANNQNQRMHP-FQEVSTJZSA-N 0 0 444.553 2.606 50 0 IFAARN Cc1nc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c(Cl)cc1Cl ZINC000102127537 557312940 /nfs/dbraw/zinc/31/29/40/557312940.db2.gz BSKVGHKFXRORGT-TXEJJXNPSA-N 0 0 442.299 2.744 50 0 IFAARN O=C(COC(=O)c1ccc(C2SCCS2)cc1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000014167747 557312979 /nfs/dbraw/zinc/31/29/79/557312979.db2.gz OJWYHXFHYQKYFG-MRXNPFEDSA-N 0 0 441.596 2.500 50 0 IFAARN COC(=O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc12 ZINC000023322824 557313718 /nfs/dbraw/zinc/31/37/18/557313718.db2.gz JWIIKMBVLQXJLK-UHFFFAOYSA-N 0 0 441.509 2.851 50 0 IFAARN CCOc1ccccc1NC(=O)c1sc(Nc2ccccc2OC)c(C(N)=O)c1N ZINC000102179201 557314308 /nfs/dbraw/zinc/31/43/08/557314308.db2.gz ZRWQUZSIMRKMGN-SFHVURJKSA-N 0 0 426.498 2.977 50 0 IFAARN CCC(C)(C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O ZINC000032745383 557314618 /nfs/dbraw/zinc/31/46/18/557314618.db2.gz IYTQFPLILYRCHW-NSHDSACASA-N 0 0 442.379 2.937 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1C ZINC000102213508 557315541 /nfs/dbraw/zinc/31/55/41/557315541.db2.gz IENXUKKITSQZFI-FUHIMQAGSA-N 0 0 436.574 2.959 50 0 IFAARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(SC(F)F)cc1 ZINC000102283156 557317162 /nfs/dbraw/zinc/31/71/62/557317162.db2.gz FVPDUYGFBZBKKM-OKILXGFUSA-N 0 0 426.441 2.658 50 0 IFAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2nccnc2C(=O)N2CCOCC2)c1 ZINC000032926194 557318224 /nfs/dbraw/zinc/31/82/24/557318224.db2.gz SPFZCBOJOYJTRB-UHFFFAOYSA-N 0 0 446.467 2.845 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)s1 ZINC000032928251 557318584 /nfs/dbraw/zinc/31/85/84/557318584.db2.gz QFEDTFSGJBSTCD-UHFFFAOYSA-N 0 0 439.946 2.995 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c(C)c1 ZINC000033021178 557321335 /nfs/dbraw/zinc/32/13/35/557321335.db2.gz RLEOCPSWVKJVDD-MRXNPFEDSA-N 0 0 443.525 2.674 50 0 IFAARN CCc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1 ZINC000033021260 557321379 /nfs/dbraw/zinc/32/13/79/557321379.db2.gz KWNBPAPVZGKMSV-INIZCTEOSA-N 0 0 443.525 2.619 50 0 IFAARN CN(CCc1noc(C(=O)NCc2ccccc2)n1)C(=O)c1ccc(Br)o1 ZINC000033114189 557325989 /nfs/dbraw/zinc/32/59/89/557325989.db2.gz DCMJVYFUHAAVBA-UHFFFAOYSA-N 0 0 433.262 2.670 50 0 IFAARN CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(CC)CC[NH+](C)C)cc1 ZINC000033253991 557327658 /nfs/dbraw/zinc/32/76/58/557327658.db2.gz JIULZLLWEGBEKV-UHFFFAOYSA-N 0 0 435.546 2.972 50 0 IFAARN COc1cccc(NC(=O)CN(C)C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 ZINC000014255457 557330446 /nfs/dbraw/zinc/33/04/46/557330446.db2.gz HTPYQQSBNCMFKK-UHFFFAOYSA-N 0 0 431.798 2.626 50 0 IFAARN CCc1ccc(S(=O)(=O)c2cnc(N3CCN(C4CCCCC4)CC3)nc2N)cc1 ZINC000033302001 557331293 /nfs/dbraw/zinc/33/12/93/557331293.db2.gz ZZNNWXIQOYKACZ-UHFFFAOYSA-N 0 0 429.590 2.909 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c(=O)ccn(Cc2ccc(Cl)cc2)c1=O ZINC000033331016 557333198 /nfs/dbraw/zinc/33/31/98/557333198.db2.gz NSLFPEKWVSIVPH-QGZVFWFLSA-N 0 0 425.916 2.849 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C/C=C\c4ccccc4)CC3)C2=O)cc1 ZINC000033409478 557334697 /nfs/dbraw/zinc/33/46/97/557334697.db2.gz JGSSJLAZAZTHQB-KUSOGIATSA-N 0 0 447.535 2.826 50 0 IFAARN CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)cc1 ZINC000014370503 557336563 /nfs/dbraw/zinc/33/65/63/557336563.db2.gz VDUFMFCMLSOXLK-QHCPKHFHSA-N 0 0 434.452 2.540 50 0 IFAARN COc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C\N[C@H]2CCS(=O)(=O)C2)C1=O ZINC000102588010 557356383 /nfs/dbraw/zinc/35/63/83/557356383.db2.gz ZEOGUKMKGRHJSY-MPMPPSQCSA-N 0 0 446.912 2.653 50 0 IFAARN O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000023470092 557363511 /nfs/dbraw/zinc/36/35/11/557363511.db2.gz YUVWKFWULNWNFX-UHFFFAOYSA-N 0 0 446.901 2.927 50 0 IFAARN O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220897304 557370268 /nfs/dbraw/zinc/37/02/68/557370268.db2.gz PRYCGVDRGCJOGP-HNNXBMFYSA-N 0 0 435.509 2.989 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000023685116 557371549 /nfs/dbraw/zinc/37/15/49/557371549.db2.gz VEPVWMPUJNXJST-KDOFPFPSSA-N 0 0 440.363 2.608 50 0 IFAARN COc1ccc(CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)c1OC ZINC000023777487 557375742 /nfs/dbraw/zinc/37/57/42/557375742.db2.gz ATRVQSYBNZHXOX-UHFFFAOYSA-N 0 0 429.517 2.620 50 0 IFAARN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000023817179 557376011 /nfs/dbraw/zinc/37/60/11/557376011.db2.gz YSDKUDLSFYIRNI-LXGFQCHUSA-N 0 0 449.592 2.606 50 0 IFAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(C)cc2)C3=O)cc1OC ZINC000011694066 557391961 /nfs/dbraw/zinc/39/19/61/557391961.db2.gz DMSWMTXIDCIBHS-UHFFFAOYSA-N 0 0 437.496 2.739 50 0 IFAARN O=C1NC2(CCN(S(=O)(=O)c3ccccc3Cl)CC2)C(=O)N1CCc1ccccc1 ZINC000011694169 557392134 /nfs/dbraw/zinc/39/21/34/557392134.db2.gz AKOCOSGSOLBZGQ-UHFFFAOYSA-N 0 0 447.944 2.658 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCNc2ccc(Nc3cccc(C)n3)nn2)cc1 ZINC000011697120 557394660 /nfs/dbraw/zinc/39/46/60/557394660.db2.gz LAXFGIIOFAFWAH-UHFFFAOYSA-N 0 0 428.518 2.713 50 0 IFAARN O=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1ccc2ccc(Br)cc21 ZINC000072401824 557395073 /nfs/dbraw/zinc/39/50/73/557395073.db2.gz CJEQZDYDIPGWOF-UHFFFAOYSA-N 0 0 425.286 2.999 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2C)cc1 ZINC000013955900 557397706 /nfs/dbraw/zinc/39/77/06/557397706.db2.gz XPTZQVMAZCBFBO-UHFFFAOYSA-N 0 0 447.467 2.763 50 0 IFAARN CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)NC1CCCCC1 ZINC000013955848 557397714 /nfs/dbraw/zinc/39/77/14/557397714.db2.gz APVJGPDFRLKWHO-UHFFFAOYSA-N 0 0 433.553 2.951 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)[C@@H](CC)n2c3ccccc3c3cn[nH]c(=O)c32)CC1 ZINC000004918448 557404552 /nfs/dbraw/zinc/40/45/52/557404552.db2.gz ZUZBIXGZNMTXKR-QGZVFWFLSA-N 0 0 425.489 2.566 50 0 IFAARN Cc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1 ZINC000408521182 557413559 /nfs/dbraw/zinc/41/35/59/557413559.db2.gz KWRIPHRXTFQSBZ-UHFFFAOYSA-N 0 0 429.502 2.835 50 0 IFAARN COc1cccc(C(=O)NCC(=O)OCc2cc3c(cc2Br)OCCO3)c1 ZINC000024464226 557414862 /nfs/dbraw/zinc/41/48/62/557414862.db2.gz WLEYXDSLEADOPB-UHFFFAOYSA-N 0 0 436.258 2.702 50 0 IFAARN O=C(NCc1ccc(F)cc1)C1CCC(CNc2c(=O)c(=O)c2N2CCCCC2)CC1 ZINC000004956414 557415246 /nfs/dbraw/zinc/41/52/46/557415246.db2.gz DMCSSCOTTIRYQQ-UHFFFAOYSA-N 0 0 427.520 2.947 50 0 IFAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000103280135 557434691 /nfs/dbraw/zinc/43/46/91/557434691.db2.gz HFQGEDUBUNUDLP-OKILXGFUSA-N 0 0 428.842 2.785 50 0 IFAARN CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000103279545 557434716 /nfs/dbraw/zinc/43/47/16/557434716.db2.gz YKAHGHBLXKJBIU-FUHWJXTLSA-N 0 0 435.933 2.730 50 0 IFAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5cc(C)ccc5N4[C@@H](C(C)=O)[C@H]3C2=O)cc1 ZINC000103458470 557437387 /nfs/dbraw/zinc/43/73/87/557437387.db2.gz QFOXYBRIWZFRPC-LDVJMBRRSA-N 0 0 430.460 2.899 50 0 IFAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000103507539 557438087 /nfs/dbraw/zinc/43/80/87/557438087.db2.gz RMUNWQPYCXCXOC-CQAGSAPUSA-N 0 0 443.503 2.735 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)CCS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)[C@H]1C ZINC000103729741 557440691 /nfs/dbraw/zinc/44/06/91/557440691.db2.gz ASAZTYSECYWUMN-MBNYWOFBSA-N 0 0 428.938 2.776 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)CCS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)[C@H]1C ZINC000103729745 557440743 /nfs/dbraw/zinc/44/07/43/557440743.db2.gz ASAZTYSECYWUMN-DYEKYZERSA-N 0 0 428.938 2.776 50 0 IFAARN NC(=O)C1=C(N)S[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]1c1ccccc1O ZINC000103890809 557442351 /nfs/dbraw/zinc/44/23/51/557442351.db2.gz LNLNNOKYZLOYAG-NSHGMRRFSA-N 0 0 445.500 2.590 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)[C@H]1C ZINC000103949122 557442806 /nfs/dbraw/zinc/44/28/06/557442806.db2.gz PULUHJFNAOMXCH-SOLBZPMBSA-N 0 0 427.998 2.587 50 0 IFAARN CSCC[C@@H](NC(=O)COc1ccc(-c2nnn(C)n2)cc1)c1nc2ccccc2[nH]1 ZINC000223212299 557446785 /nfs/dbraw/zinc/44/67/85/557446785.db2.gz UQGNOCQVMZVHGD-GOSISDBHSA-N 0 0 437.529 2.743 50 0 IFAARN O=C(Cc1c2[nH]cccc-2c(=O)n1Cc1ccc(F)cc1)N1CCC2(CC1)OCCO2 ZINC000096387168 557452168 /nfs/dbraw/zinc/45/21/68/557452168.db2.gz WBXAFSLUGCMOKO-IBGZPJMESA-N 0 0 425.460 2.673 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)[C@H]1C ZINC000104747803 557460307 /nfs/dbraw/zinc/46/03/07/557460307.db2.gz NVWPVKPZBCFCNL-MSYCTHLASA-N 0 0 447.645 2.813 50 0 IFAARN CC(=O)C[C@@H]1N(C2CCCCCC2)C(=O)[C@@H]2N(c3ccccc3C)C(=O)[C@H]3CC(=O)O[C@]231 ZINC000104779607 557461776 /nfs/dbraw/zinc/46/17/76/557461776.db2.gz LCJFUACRXBTLBP-XOQZDTPSSA-N 0 0 438.524 2.925 50 0 IFAARN C[C@@H](OC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)C(=O)NC1CCCCCC1 ZINC000105126329 557476177 /nfs/dbraw/zinc/47/61/77/557476177.db2.gz GCVOYEFPLIJPDS-LNPFQXMTSA-N 0 0 435.565 2.894 50 0 IFAARN C[C@H](OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000105311580 557495365 /nfs/dbraw/zinc/49/53/65/557495365.db2.gz KRNGJMMSVZBNAO-XEZPLFJOSA-N 0 0 425.323 2.806 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(c2ccccn2)CC1 ZINC000018371388 557499917 /nfs/dbraw/zinc/49/99/17/557499917.db2.gz RMEPAWBFMZZENL-UHFFFAOYSA-N 0 0 428.558 2.527 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)NC(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)[C@H]1C ZINC000105546740 557507434 /nfs/dbraw/zinc/50/74/34/557507434.db2.gz JWNYPAGYDVUNPH-VYDXJSESSA-N 0 0 431.562 2.557 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)NC(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)[C@H]1C ZINC000105546738 557507440 /nfs/dbraw/zinc/50/74/40/557507440.db2.gz JWNYPAGYDVUNPH-HLLBOEOZSA-N 0 0 431.562 2.557 50 0 IFAARN C[C@H](NC(=O)CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)c1cc2ccccc2o1 ZINC000013128790 557521340 /nfs/dbraw/zinc/52/13/40/557521340.db2.gz DGIRDFKFEIPPJX-SBUREZEXSA-N 0 0 449.507 2.736 50 0 IFAARN CC(C)Oc1ccccc1NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012030618 557523992 /nfs/dbraw/zinc/52/39/92/557523992.db2.gz HCYRFKIYXFKNMS-QGZVFWFLSA-N 0 0 437.539 2.687 50 0 IFAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012030655 557524008 /nfs/dbraw/zinc/52/40/08/557524008.db2.gz NVLMTXRGJFJDIM-MRXNPFEDSA-N 0 0 447.456 2.919 50 0 IFAARN O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031352 557524169 /nfs/dbraw/zinc/52/41/69/557524169.db2.gz IEQSXGBERDQXLS-CQSZACIVSA-N 0 0 431.894 2.692 50 0 IFAARN CCOc1ccccc1C(=O)NCCn1ncc2c1ncn(Cc1ccc(F)cc1)c2=O ZINC000012071686 557526802 /nfs/dbraw/zinc/52/68/02/557526802.db2.gz RDZZMMWJKGLHCB-UHFFFAOYSA-N 0 0 435.459 2.609 50 0 IFAARN CC(C)OCCOC[C@H](O)CN(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000106530214 557529803 /nfs/dbraw/zinc/52/98/03/557529803.db2.gz QCYAKHFZJSIUPG-ZHALLVOQSA-N 0 0 441.544 2.706 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000106615717 557530736 /nfs/dbraw/zinc/53/07/36/557530736.db2.gz LURVSZISXTYPFL-AUUYWEPGSA-N 0 0 449.935 2.786 50 0 IFAARN O=C(CN1CC[C@@H](C(CO)CO)C1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000107068358 557534472 /nfs/dbraw/zinc/53/44/72/557534472.db2.gz JDFTVFVUWMDKIY-OXQOHEQNSA-N 0 0 431.920 2.533 50 0 IFAARN C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000107508494 557536102 /nfs/dbraw/zinc/53/61/02/557536102.db2.gz KMJKZDCFYYZHCX-KSZLIROESA-N 0 0 443.510 2.770 50 0 IFAARN CC[C@H](C)NC(=O)CN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2C(C)(C)C1=O ZINC000045913191 557547273 /nfs/dbraw/zinc/54/72/73/557547273.db2.gz TWJJALVVIKKZSP-INIZCTEOSA-N 0 0 435.590 2.646 50 0 IFAARN CC[C@H](C)NC(=O)CN1c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2C(C)(C)C1=O ZINC000045913290 557547356 /nfs/dbraw/zinc/54/73/56/557547356.db2.gz FDSIVJPXFQMOPH-HOTGVXAUSA-N 0 0 435.590 2.646 50 0 IFAARN COc1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000045925499 557550047 /nfs/dbraw/zinc/55/00/47/557550047.db2.gz HALONCWRCFDUFA-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN COCCN(Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000045974101 557555954 /nfs/dbraw/zinc/55/59/54/557555954.db2.gz HUUHLSWXEVQQHW-UHFFFAOYSA-N 0 0 427.501 2.677 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O ZINC000045970172 557557813 /nfs/dbraw/zinc/55/78/13/557557813.db2.gz LSNWYDPPMKDELB-UHFFFAOYSA-N 0 0 441.513 2.659 50 0 IFAARN O=C(Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O)NCc1ccco1 ZINC000045970751 557558131 /nfs/dbraw/zinc/55/81/31/557558131.db2.gz JXZUHPTZDDNBKQ-UHFFFAOYSA-N 0 0 429.889 2.746 50 0 IFAARN Nn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc(Cc2ccccc2)c1=O ZINC000027546321 557587779 /nfs/dbraw/zinc/58/77/79/557587779.db2.gz LXWJWHANDXITKD-UHFFFAOYSA-N 0 0 436.324 2.981 50 0 IFAARN O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040120925 557696781 /nfs/dbraw/zinc/69/67/81/557696781.db2.gz STXCSWRHQGUUDV-QGZVFWFLSA-N 0 0 443.429 2.951 50 0 IFAARN CC[C@H](C)c1nnc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)[nH]1 ZINC000225416196 557720409 /nfs/dbraw/zinc/72/04/09/557720409.db2.gz XCAICDXDKFOJKO-STQMWFEESA-N 0 0 437.566 2.895 50 0 IFAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000225435385 557722536 /nfs/dbraw/zinc/72/25/36/557722536.db2.gz PMICPDZVDNECSW-SFHVURJKSA-N 0 0 443.610 2.512 50 0 IFAARN C[C@H](CCC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000225496566 557730188 /nfs/dbraw/zinc/73/01/88/557730188.db2.gz YJTLVQVMOJLAEW-UKRRQHHQSA-N 0 0 440.566 2.752 50 0 IFAARN CN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000225505136 557731484 /nfs/dbraw/zinc/73/14/84/557731484.db2.gz BCXUQAXXBJWNGF-LLVKDONJSA-N 0 0 443.285 2.871 50 0 IFAARN O=C(c1cc(Br)c[nH]1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000225564240 557743027 /nfs/dbraw/zinc/74/30/27/557743027.db2.gz NFBPCHCCSLNGCY-IBGZPJMESA-N 0 0 445.361 2.726 50 0 IFAARN Cn1nccc1N1CCC[C@@H](NC(=O)c2oc3ccccc3c2CSc2nc[nH]n2)C1 ZINC000225566146 557743396 /nfs/dbraw/zinc/74/33/96/557743396.db2.gz OJAAVZPFKFKBJP-CQSZACIVSA-N 0 0 437.529 2.976 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cccc(Cl)c2)c1=O)Nc1cccc(Cl)c1 ZINC000040478048 557753339 /nfs/dbraw/zinc/75/33/39/557753339.db2.gz QHKJAHUBEHXWNK-UHFFFAOYSA-N 0 0 429.267 2.982 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)[C@@H]3CCCN(C(=O)c4ccncc4)C3)ccc21 ZINC000225664660 557759346 /nfs/dbraw/zinc/75/93/46/557759346.db2.gz VQUWWBWABJUYEL-IIBYNOLFSA-N 0 0 449.507 2.657 50 0 IFAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCC(C)C)COC23CCN(C(=O)C(C)(C)C)CC3)c1 ZINC000096274603 557771817 /nfs/dbraw/zinc/77/18/17/557771817.db2.gz FFNGPEUKILNYCL-HXUWFJFHSA-N 0 0 443.588 2.973 50 0 IFAARN C[C@@H](C(=O)NCCNC(=O)c1cccc(Br)c1)n1ccc2ccccc2c1=O ZINC000225749090 557772503 /nfs/dbraw/zinc/77/25/03/557772503.db2.gz FAYZOQPONKUERY-AWEZNQCLSA-N 0 0 442.313 2.871 50 0 IFAARN O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NCc1cccc(OC(F)F)c1 ZINC000225808464 557779578 /nfs/dbraw/zinc/77/95/78/557779578.db2.gz KNLYMYZWQQVVDR-UHFFFAOYSA-N 0 0 438.374 2.902 50 0 IFAARN Cc1nsc(N2CCCN(c3c(Br)cccc3S(C)(=O)=O)CC2)n1 ZINC000225821412 557781163 /nfs/dbraw/zinc/78/11/63/557781163.db2.gz NQTIYPXBCSJWCI-UHFFFAOYSA-N 0 0 431.381 2.729 50 0 IFAARN Cc1nc(C)c(S(=O)(=O)NC(C)(C)CC(=O)N2CCN(c3ccccc3)CC2)s1 ZINC000225829153 557782307 /nfs/dbraw/zinc/78/23/07/557782307.db2.gz VHDPEIYFXAVJLN-UHFFFAOYSA-N 0 0 436.603 2.556 50 0 IFAARN CC(C)(C)OC(=O)N1CC(O)(CNC(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)C1 ZINC000225852654 557785479 /nfs/dbraw/zinc/78/54/79/557785479.db2.gz OCMZPDDWNMKSQL-UHFFFAOYSA-N 0 0 447.561 2.967 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000227155255 557812663 /nfs/dbraw/zinc/81/26/63/557812663.db2.gz MLTPMKLMIBZXTD-UHFFFAOYSA-N 0 0 447.900 2.873 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)cc2)CC1 ZINC000024988970 557830037 /nfs/dbraw/zinc/83/00/37/557830037.db2.gz BDTHBFPQNWPQGT-SFHVURJKSA-N 0 0 431.558 2.727 50 0 IFAARN CC[C@H](C)N(C(=O)COC(=O)c1csc2c1CC[C@@H](C)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000229514643 557832473 /nfs/dbraw/zinc/83/24/73/557832473.db2.gz TYKILEMHHKDAHO-QLFBSQMISA-N 0 0 427.588 2.844 50 0 IFAARN CC(C)OCCOC[C@H](O)CN(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000229681302 557832758 /nfs/dbraw/zinc/83/27/58/557832758.db2.gz QCYAKHFZJSIUPG-JENIJYKNSA-N 0 0 441.544 2.706 50 0 IFAARN C[C@@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)N1CCN(c2ccccc2)CC1 ZINC000229666988 557832777 /nfs/dbraw/zinc/83/27/77/557832777.db2.gz RQNDTFPYQVUUIS-YDHSSHFGSA-N 0 0 433.618 2.512 50 0 IFAARN CC(C)N(C(=O)CO[C@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@H]1[C@@H]1COC(C)(C)O1)c1ccccc1 ZINC000229809978 557833284 /nfs/dbraw/zinc/83/32/84/557833284.db2.gz NJHYYAKMLCLPQN-JBINPLMMSA-N 0 0 435.517 2.841 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc(Br)c(OC)c2)cc1OC ZINC000230517234 557835250 /nfs/dbraw/zinc/83/52/50/557835250.db2.gz FMZVNUYTEMELOB-UHFFFAOYSA-N 0 0 430.320 2.996 50 0 IFAARN O=S(=O)(c1ccc(I)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000231424058 557835871 /nfs/dbraw/zinc/83/58/71/557835871.db2.gz LJCJQVAXQDYZBE-UHFFFAOYSA-N 0 0 446.285 2.941 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2)C[C@@H](C)O1 ZINC000014183736 557836953 /nfs/dbraw/zinc/83/69/53/557836953.db2.gz MKOKGBWIPUKIPW-QINHECLXSA-N 0 0 430.526 2.738 50 0 IFAARN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1COCCN1CC(F)(F)F ZINC000239760991 557845060 /nfs/dbraw/zinc/84/50/60/557845060.db2.gz CJBNZFGRTWQWCB-JKSUJKDBSA-N 0 0 437.865 2.995 50 0 IFAARN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1COCCN1CC(F)(F)F ZINC000239760989 557845101 /nfs/dbraw/zinc/84/51/01/557845101.db2.gz CJBNZFGRTWQWCB-HZPDHXFCSA-N 0 0 437.865 2.995 50 0 IFAARN COc1ccc(F)cc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000241738501 557846868 /nfs/dbraw/zinc/84/68/68/557846868.db2.gz QYCJIUXBXRYKBC-XLIONFOSSA-N 0 0 449.523 2.858 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)c1 ZINC000000876977 557848137 /nfs/dbraw/zinc/84/81/37/557848137.db2.gz GHMMSTWHFPVFLI-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2ccccc2Cl)n(-c2cccc(OC)c2)c1=O ZINC000034693849 557849189 /nfs/dbraw/zinc/84/91/89/557849189.db2.gz DOHAONAFWAFDSH-UHFFFAOYSA-N 0 0 440.887 2.706 50 0 IFAARN COc1ccc([C@@H]2NC3=NCN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)cc1OC ZINC000245229403 557849785 /nfs/dbraw/zinc/84/97/85/557849785.db2.gz XBEFSQNRRQJJJP-VGOFRKELSA-N 0 0 448.527 2.776 50 0 IFAARN O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Br)cc1 ZINC000001023632 562920037 /nfs/dbraw/zinc/92/00/37/562920037.db2.gz BJWXNJXPBSQTEG-DOTOQJQBSA-N 0 0 448.269 2.809 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)O[C@H]1CSC[C@H]1NC(=O)c1ccccc1 ZINC000001070905 562920281 /nfs/dbraw/zinc/92/02/81/562920281.db2.gz RAJPRPMKDJYCLH-MOPGFXCFSA-N 0 0 438.505 2.520 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 ZINC000001363358 562921385 /nfs/dbraw/zinc/92/13/85/562921385.db2.gz RDWYDDJRSNTVCH-HNNXBMFYSA-N 0 0 432.498 2.506 50 0 IFAARN COc1cc(-c2nnc(SCC(=O)Nc3ccccc3F)n2N)cc(OC)c1OC ZINC000002399306 562927382 /nfs/dbraw/zinc/92/73/82/562927382.db2.gz HVEQPIRAPBOLOJ-UHFFFAOYSA-N 0 0 433.465 2.555 50 0 IFAARN CNC(=O)c1ccc(NC(=O)COc2ccc(-c3nn(C)c(=O)c4ccccc43)cc2)cc1 ZINC000002418381 562927529 /nfs/dbraw/zinc/92/75/29/562927529.db2.gz ZAPJETBEYQNSCT-UHFFFAOYSA-N 0 0 442.475 2.978 50 0 IFAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000002651657 562929316 /nfs/dbraw/zinc/92/93/16/562929316.db2.gz VEYANGCLRUWTEQ-LLVKDONJSA-N 0 0 427.288 2.938 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 ZINC000002653394 562929410 /nfs/dbraw/zinc/92/94/10/562929410.db2.gz JGBMQPYHHSUWEY-UHFFFAOYSA-N 0 0 428.466 2.578 50 0 IFAARN CCOCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O ZINC000002655546 562929493 /nfs/dbraw/zinc/92/94/93/562929493.db2.gz TYEWDNKLUKZXBJ-UHFFFAOYSA-N 0 0 440.525 2.653 50 0 aggregator IFAARN CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000002659927 562929638 /nfs/dbraw/zinc/92/96/38/562929638.db2.gz QOBMBJQFYPDGRM-OAHLLOKOSA-N 0 0 446.525 2.557 50 0 IFAARN Cc1cccc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c2ccccc2F)c1 ZINC000002698803 562929857 /nfs/dbraw/zinc/92/98/57/562929857.db2.gz HWZJNOFQWAOPPR-SJLPKXTDSA-N 0 0 433.530 2.848 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)[C@@H](C)Oc2ccccc2)CS(=O)(=O)C3)cc1 ZINC000003009439 562931556 /nfs/dbraw/zinc/93/15/56/562931556.db2.gz ZGRFVVJFGSJELB-CQSZACIVSA-N 0 0 427.482 2.715 50 0 IFAARN O=C(NCCSCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000003020300 562931674 /nfs/dbraw/zinc/93/16/74/562931674.db2.gz FOJJDZCCOQNSST-UHFFFAOYSA-N 0 0 438.546 2.510 50 0 IFAARN COCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000003265047 562933499 /nfs/dbraw/zinc/93/34/99/562933499.db2.gz MULZMAAEXYKMCM-UHFFFAOYSA-N 0 0 428.510 2.806 50 0 IFAARN CCc1nnc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)s1 ZINC000003270286 562933528 /nfs/dbraw/zinc/93/35/28/562933528.db2.gz DZENZNGVWLYFSG-CQSZACIVSA-N 0 0 434.568 2.916 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccc(Br)cc2)cc1 ZINC000003294006 562933815 /nfs/dbraw/zinc/93/38/15/562933815.db2.gz HVFDHPYEKBUVMI-UHFFFAOYSA-N 0 0 428.304 2.658 50 0 IFAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCC(=O)OC ZINC000003310177 562934068 /nfs/dbraw/zinc/93/40/68/562934068.db2.gz JPOXSKDODUSICK-UHFFFAOYSA-N 0 0 437.572 2.581 50 0 IFAARN O=C(COc1cccc(C(=O)NCc2ccccc2)c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003417191 562935467 /nfs/dbraw/zinc/93/54/67/562935467.db2.gz UOLMEBHCTPHAQO-UHFFFAOYSA-N 0 0 447.491 2.573 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000003626893 562936875 /nfs/dbraw/zinc/93/68/75/562936875.db2.gz ULVALYAYYZUZCL-INIZCTEOSA-N 0 0 431.367 2.632 50 0 IFAARN O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(F)cc1)c2=O ZINC000003632014 562937156 /nfs/dbraw/zinc/93/71/56/562937156.db2.gz PLGZVYQALCTMNE-UHFFFAOYSA-N 0 0 440.500 2.556 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O ZINC000003960130 562940080 /nfs/dbraw/zinc/94/00/80/562940080.db2.gz QACLMRDCNPWGNR-HNAYVOBHSA-N 0 0 431.558 2.632 50 0 IFAARN Cn1cccc1Cc1nnc(SCC(=O)NC[C@@H]2CCCO2)n1CCc1ccccc1 ZINC000004034839 562940981 /nfs/dbraw/zinc/94/09/81/562940981.db2.gz OOLMJXFVJOOEHI-FQEVSTJZSA-N 0 0 439.585 2.837 50 0 IFAARN O=C(NCc1ccco1)[C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000004102113 562941938 /nfs/dbraw/zinc/94/19/38/562941938.db2.gz RPLVDMDVQKJNKG-QGZVFWFLSA-N 0 0 428.495 2.620 50 0 IFAARN C[C@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(Cc3ccccc3)c(=O)c2S1 ZINC000004142616 562942253 /nfs/dbraw/zinc/94/22/53/562942253.db2.gz XVDYAKZWFRVEBQ-HOCLYGCPSA-N 0 0 431.583 2.716 50 0 IFAARN CCN(C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c21)[C@@H]1CCS(=O)(=O)C1 ZINC000004195373 562942615 /nfs/dbraw/zinc/94/26/15/562942615.db2.gz ZCXWTPJSCMRCLU-OAHLLOKOSA-N 0 0 449.529 2.912 50 0 IFAARN CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 ZINC000004200527 562942679 /nfs/dbraw/zinc/94/26/79/562942679.db2.gz MTAFOYHDMDVLTP-UHFFFAOYSA-N 0 0 447.538 2.968 50 0 IFAARN Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)NCc1ccccc1 ZINC000006577666 562947813 /nfs/dbraw/zinc/94/78/13/562947813.db2.gz PDMXPMZZDRHWNE-UHFFFAOYSA-N 0 0 425.539 2.648 50 0 IFAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)cc1 ZINC000006578082 562947995 /nfs/dbraw/zinc/94/79/95/562947995.db2.gz MMTDYDNWJBDSJB-WJOKGBTCSA-N 0 0 442.493 2.952 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000006921576 562948594 /nfs/dbraw/zinc/94/85/94/562948594.db2.gz IEPRLWGRDSYUHQ-GOSISDBHSA-N 0 0 427.998 2.832 50 0 IFAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000008150636 562949101 /nfs/dbraw/zinc/94/91/01/562949101.db2.gz KFRINIORTPRRTI-FQEVSTJZSA-N 0 0 425.554 2.523 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2F)s1 ZINC000008587926 562950527 /nfs/dbraw/zinc/95/05/27/562950527.db2.gz VXRCGGWWIRUVLZ-UHFFFAOYSA-N 0 0 436.490 2.910 50 0 IFAARN CC1CCN(S(=O)(=O)c2nnc(NC(=O)c3cccc(Br)c3)s2)CC1 ZINC000008588155 562950608 /nfs/dbraw/zinc/95/06/08/562950608.db2.gz FYIKJHAOBNIPLB-UHFFFAOYSA-N 0 0 445.364 2.974 50 0 IFAARN O=C(CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)NCc1ccccc1Cl ZINC000008588727 562950790 /nfs/dbraw/zinc/95/07/90/562950790.db2.gz RUDBLAZRGOGHNR-UHFFFAOYSA-N 0 0 443.308 2.805 50 0 aggregator IFAARN CC[C@H](C)NC(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC000008589590 562951291 /nfs/dbraw/zinc/95/12/91/562951291.db2.gz HZUFRYXMRCHXNI-HNNXBMFYSA-N 0 0 443.569 2.947 50 0 IFAARN CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC000008590570 562951815 /nfs/dbraw/zinc/95/18/15/562951815.db2.gz UEPBCVPHLCJSAP-UHFFFAOYSA-N 0 0 430.299 2.840 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(C)cc2)c1=O ZINC000008593362 562952620 /nfs/dbraw/zinc/95/26/20/562952620.db2.gz WYKCZVHFQBQRCQ-UHFFFAOYSA-N 0 0 443.459 2.886 50 0 IFAARN Cc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O ZINC000008593548 562952754 /nfs/dbraw/zinc/95/27/54/562952754.db2.gz AWGTXDMBBBNABQ-UHFFFAOYSA-N 0 0 443.459 2.887 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1OC ZINC000008593604 562952761 /nfs/dbraw/zinc/95/27/61/562952761.db2.gz XUPFBRZIOAUOIE-UHFFFAOYSA-N 0 0 433.468 2.855 50 0 IFAARN COc1ccc(OC)c(CNC(=O)Cn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c1 ZINC000008593649 562952824 /nfs/dbraw/zinc/95/28/24/562952824.db2.gz PRKAENHFSJQPII-UHFFFAOYSA-N 0 0 447.495 2.533 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)c1 ZINC000008594289 562953023 /nfs/dbraw/zinc/95/30/23/562953023.db2.gz NQNUIWLZIXTVOB-UHFFFAOYSA-N 0 0 447.557 2.712 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccccc3OC)cc2C[C@H]1C ZINC000008595260 562953310 /nfs/dbraw/zinc/95/33/10/562953310.db2.gz VASGQLIVBZETHD-MRXNPFEDSA-N 0 0 444.553 2.863 50 0 IFAARN COc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000008595581 562953566 /nfs/dbraw/zinc/95/35/66/562953566.db2.gz MYQJHCJMXFDENJ-UHFFFAOYSA-N 0 0 442.541 2.855 50 0 IFAARN CCOCCCN(Cc1ccco1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000008600069 562954916 /nfs/dbraw/zinc/95/49/16/562954916.db2.gz WFNXWZNODXBHMI-UHFFFAOYSA-N 0 0 428.894 2.881 50 0 IFAARN O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000008600862 562955129 /nfs/dbraw/zinc/95/51/29/562955129.db2.gz XPGSLMKKXAMKOS-UHFFFAOYSA-N 0 0 447.463 2.846 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccco2)cc1 ZINC000008601313 562955287 /nfs/dbraw/zinc/95/52/87/562955287.db2.gz XJSWMTABZOTXTO-NRFANRHFSA-N 0 0 440.521 2.578 50 0 IFAARN O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008601607 562955467 /nfs/dbraw/zinc/95/54/67/562955467.db2.gz AGQCGBGXHNLOEB-SFHVURJKSA-N 0 0 445.516 2.536 50 0 IFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccccc1OCC ZINC000008601956 562955746 /nfs/dbraw/zinc/95/57/46/562955746.db2.gz QFCVKKSQTYIIML-UHFFFAOYSA-N 0 0 442.541 2.714 50 0 IFAARN CCOc1ccc(CCNC(=O)c2cnc3sc(N4CCC(C)CC4)nn3c2=O)cc1 ZINC000008603028 562955871 /nfs/dbraw/zinc/95/58/71/562955871.db2.gz WGDTUINJVGJNOA-UHFFFAOYSA-N 0 0 441.557 2.759 50 0 IFAARN COC(=O)c1cnn(-c2ccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2)c1N ZINC000008607010 562957209 /nfs/dbraw/zinc/95/72/09/562957209.db2.gz PZCBYICKXSSEKC-UHFFFAOYSA-N 0 0 426.429 2.519 50 0 IFAARN COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1 ZINC000008609364 562957760 /nfs/dbraw/zinc/95/77/60/562957760.db2.gz JKDDSVJPZGSFIO-UHFFFAOYSA-N 0 0 441.553 2.904 50 0 IFAARN COc1cccc(CCNC(=O)c2cnc3sc(N4CCCCCC4)nn3c2=O)c1 ZINC000008609893 562958021 /nfs/dbraw/zinc/95/80/21/562958021.db2.gz LQHQOEINHMRMEP-UHFFFAOYSA-N 0 0 427.530 2.513 50 0 IFAARN CCCOc1ccc(CNC(=O)C2CCN(c3nn4c(nc(C)cc4=O)s3)CC2)cc1 ZINC000008610942 562958321 /nfs/dbraw/zinc/95/83/21/562958321.db2.gz BVABOOLDYCROFJ-UHFFFAOYSA-N 0 0 441.557 2.781 50 0 IFAARN Cc1cc(C)cc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)c1 ZINC000008611482 562958644 /nfs/dbraw/zinc/95/86/44/562958644.db2.gz DTWLLIYHKBMMCN-UHFFFAOYSA-N 0 0 429.498 2.635 50 0 IFAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)S(=O)(=O)c1ccc(OC)cc1 ZINC000008613681 562959399 /nfs/dbraw/zinc/95/93/99/562959399.db2.gz YZSGZPADIMIHJB-UHFFFAOYSA-N 0 0 433.486 2.973 50 0 IFAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C ZINC000008666139 562960465 /nfs/dbraw/zinc/96/04/65/562960465.db2.gz DHGZULLJAAUTSF-KRWDZBQOSA-N 0 0 430.526 2.849 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@](C)(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)S1 ZINC000008667382 562960649 /nfs/dbraw/zinc/96/06/49/562960649.db2.gz UTPLQTTYEQYLDB-HNNXBMFYSA-N 0 0 438.358 2.876 50 0 IFAARN CCN(C(=O)CSc1nnc(Nc2ccccc2C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000008684928 562962295 /nfs/dbraw/zinc/96/22/95/562962295.db2.gz PVANHDLTMUBGEG-ZDUSSCGKSA-N 0 0 426.589 2.718 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 ZINC000008686721 562962887 /nfs/dbraw/zinc/96/28/87/562962887.db2.gz HAFAQMHJCTXHPP-UHFFFAOYSA-N 0 0 448.504 2.860 50 0 IFAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)N[C@@H](C)c2ccccc2)C(C)C)c1 ZINC000008691233 562963450 /nfs/dbraw/zinc/96/34/50/562963450.db2.gz PYEKAIRCTGCVQW-AOMKIAJQSA-N 0 0 442.512 2.879 50 0 IFAARN COc1ccc([C@H]2[C@H](C(C)=O)N3N=Cc4ccccc4[C@H]3C23C(=O)OC(C)(C)OC3=O)cc1 ZINC000008691606 562963505 /nfs/dbraw/zinc/96/35/05/562963505.db2.gz JVYQRNQDQHCNHS-ACRUOGEOSA-N 0 0 448.475 2.963 50 0 IFAARN COc1ccc2c(C)c(CCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(=O)oc2c1 ZINC000008877043 562965575 /nfs/dbraw/zinc/96/55/75/562965575.db2.gz YGEOJCOSVJBNDW-SJORKVTESA-N 0 0 434.492 2.850 50 0 IFAARN Cc1c(C)c2c(OCC(=O)N3CCC(C(N)=O)CC3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008876971 562965579 /nfs/dbraw/zinc/96/55/79/562965579.db2.gz GLBWBVLCGWIKCB-UHFFFAOYSA-N 0 0 442.512 2.616 50 0 IFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C1=O ZINC000008902072 562965941 /nfs/dbraw/zinc/96/59/41/562965941.db2.gz CCSWWMVEYGWXKI-QKFKETGDSA-N 0 0 438.459 2.747 50 0 IFAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000009119412 562967310 /nfs/dbraw/zinc/96/73/10/562967310.db2.gz SJZIALMALWIWDA-UHFFFAOYSA-N 0 0 441.513 2.973 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CNC(=O)Cc1ccccc1 ZINC000009125138 562967452 /nfs/dbraw/zinc/96/74/52/562967452.db2.gz OHLRPGGOJDCNOO-UHFFFAOYSA-N 0 0 432.318 2.513 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C ZINC000009263755 562968592 /nfs/dbraw/zinc/96/85/92/562968592.db2.gz QRIOQCYKMNASDV-HUUCEWRRSA-N 0 0 431.562 2.792 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)c1 ZINC000009287656 562968936 /nfs/dbraw/zinc/96/89/36/562968936.db2.gz OWEZPTPRAZJLBO-OAHLLOKOSA-N 0 0 443.529 2.697 50 0 IFAARN CCCCn1c(=O)c2ccc(C(=O)OC)cc2nc1S[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000009398026 562970017 /nfs/dbraw/zinc/97/00/17/562970017.db2.gz GZTUGYIMFUKECH-HOCLYGCPSA-N 0 0 447.557 2.759 50 0 IFAARN CCCCn1c(=O)c2ccc(C(=O)OC)cc2nc1S[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000009398028 562970030 /nfs/dbraw/zinc/97/00/30/562970030.db2.gz GZTUGYIMFUKECH-GOEBONIOSA-N 0 0 447.557 2.759 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)cc2C[C@H]1C ZINC000009396980 562970031 /nfs/dbraw/zinc/97/00/31/562970031.db2.gz MWQCKZUFRYJCPX-DLBZAZTESA-N 0 0 447.601 2.643 50 0 IFAARN COc1cccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c2cccc(C)c2)c1 ZINC000009408195 562970251 /nfs/dbraw/zinc/97/02/51/562970251.db2.gz CSVSJVBJCLUMOY-OALUTQOASA-N 0 0 445.566 2.717 50 0 IFAARN CC(C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009409530 562970269 /nfs/dbraw/zinc/97/02/69/562970269.db2.gz DEIUMJGPCJKDND-FQEVSTJZSA-N 0 0 435.484 2.636 50 0 IFAARN COc1ccc(N(C(=O)c2cc3ccccc3oc2=O)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000009416119 562970438 /nfs/dbraw/zinc/97/04/38/562970438.db2.gz OZAQMVFQPWVJGA-OAHLLOKOSA-N 0 0 441.461 2.768 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000009431208 562970710 /nfs/dbraw/zinc/97/07/10/562970710.db2.gz CDCNVBIDCZGNFT-FQEVSTJZSA-N 0 0 444.553 2.750 50 0 IFAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000009461273 562971468 /nfs/dbraw/zinc/97/14/68/562971468.db2.gz JCICAQQWMJZNRN-UHFFFAOYSA-N 0 0 427.530 2.510 50 0 IFAARN O=C(Cc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009463561 562971552 /nfs/dbraw/zinc/97/15/52/562971552.db2.gz VQCBXPGZCRNFKO-UHFFFAOYSA-N 0 0 439.331 2.651 50 0 IFAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnnn2C)cc1OC ZINC000009491167 562972017 /nfs/dbraw/zinc/97/20/17/562972017.db2.gz MQBTZMKOABJUCS-CQSZACIVSA-N 0 0 444.542 2.759 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000009497852 562972324 /nfs/dbraw/zinc/97/23/24/562972324.db2.gz HMNOYGWANNCALO-UHFFFAOYSA-N 0 0 430.935 2.565 50 0 IFAARN O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000009507148 562972480 /nfs/dbraw/zinc/97/24/80/562972480.db2.gz NQMOPKADMSSJEN-UHFFFAOYSA-N 0 0 427.448 2.818 50 0 IFAARN Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1S(=O)(=O)N1CCCCC1 ZINC000009508616 562972586 /nfs/dbraw/zinc/97/25/86/562972586.db2.gz AAHRVZWFTKGHEZ-UHFFFAOYSA-N 0 0 449.602 2.906 50 0 IFAARN O=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)Nc1ccc2c(c1)OCO2 ZINC000009518589 562972798 /nfs/dbraw/zinc/97/27/98/562972798.db2.gz JDNRAVUNEJWLDT-UHFFFAOYSA-N 0 0 430.417 2.598 50 0 IFAARN O=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)Nc1ccc2c(c1)OCCO2 ZINC000009518590 562972810 /nfs/dbraw/zinc/97/28/10/562972810.db2.gz MIQPWZQEFMDFGB-UHFFFAOYSA-N 0 0 444.444 2.641 50 0 IFAARN O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)NCCc1ccccc1 ZINC000009518632 562972812 /nfs/dbraw/zinc/97/28/12/562972812.db2.gz FDMCZUYVKYAQPE-UHFFFAOYSA-N 0 0 432.452 2.729 50 0 IFAARN O=S(=O)(c1ccc(Cl)c(NC(=S)Nc2cccc(O)c2)c1)N1CCOCC1 ZINC000009562552 562973319 /nfs/dbraw/zinc/97/33/19/562973319.db2.gz MEFFQQLLAJSKJP-UHFFFAOYSA-N 0 0 427.935 2.875 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@@]2(C)CC2(Cl)Cl)NC(=O)N[C@H]1c1ccccc1 ZINC000009630446 562974313 /nfs/dbraw/zinc/97/43/13/562974313.db2.gz COZCXKDCPHAIDQ-KBXCAEBGSA-N 0 0 427.284 2.985 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@]2(C)CC2(Cl)Cl)NC(=O)N[C@H]1c1ccccc1 ZINC000009630443 562974344 /nfs/dbraw/zinc/97/43/44/562974344.db2.gz COZCXKDCPHAIDQ-KSSFIOAISA-N 0 0 427.284 2.985 50 0 IFAARN COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1S(=O)(=O)N1CCOCC1 ZINC000009632014 562974411 /nfs/dbraw/zinc/97/44/11/562974411.db2.gz RBBGITVNTFJPBC-UHFFFAOYSA-N 0 0 447.538 2.887 50 0 IFAARN COc1ccc(C)cc1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009633066 562974491 /nfs/dbraw/zinc/97/44/91/562974491.db2.gz CVKGUIWYAVRIHD-RMKNXTFCSA-N 0 0 446.525 2.685 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@@H]1C ZINC000009632557 562974499 /nfs/dbraw/zinc/97/44/99/562974499.db2.gz RXRYRPFYOSLBSI-MBOZVWFJSA-N 0 0 436.574 2.959 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000009633430 562974568 /nfs/dbraw/zinc/97/45/68/562974568.db2.gz WNIGGPZNBHBVQV-UHFFFAOYSA-N 0 0 444.538 2.787 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1C ZINC000009643414 562974765 /nfs/dbraw/zinc/97/47/65/562974765.db2.gz HPIOKCSPPMJYHB-AEFFLSMTSA-N 0 0 440.496 2.624 50 0 IFAARN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000009672640 562975169 /nfs/dbraw/zinc/97/51/69/562975169.db2.gz NICSHCLYCYSBTC-UHFFFAOYSA-N 0 0 448.501 2.617 50 0 IFAARN COc1ccc(CNC(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)cc1 ZINC000009673210 562975281 /nfs/dbraw/zinc/97/52/81/562975281.db2.gz OCCSXCWPCFAXKI-UHFFFAOYSA-N 0 0 444.509 2.701 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)cc2C[C@H]1C ZINC000009676618 562975345 /nfs/dbraw/zinc/97/53/45/562975345.db2.gz ATVLEAANDAPDLG-OAHLLOKOSA-N 0 0 432.542 2.912 50 0 IFAARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009714044 562975830 /nfs/dbraw/zinc/97/58/30/562975830.db2.gz LVMKYABAQDPPJF-GFCCVEGCSA-N 0 0 435.575 2.860 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1ccc(OC)cc1 ZINC000009761801 562976566 /nfs/dbraw/zinc/97/65/66/562976566.db2.gz OULIDCOQIVUNOC-UHFFFAOYSA-N 0 0 437.452 2.744 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1cc(C)ccc1OC ZINC000009761898 562976621 /nfs/dbraw/zinc/97/66/21/562976621.db2.gz MQZLWLXEBNYSJX-UHFFFAOYSA-N 0 0 437.452 2.744 50 0 IFAARN CCCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2ccccc21 ZINC000009776107 562976795 /nfs/dbraw/zinc/97/67/95/562976795.db2.gz HNFSSDGRVJDFAV-UHFFFAOYSA-N 0 0 442.903 2.694 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000009833835 562977353 /nfs/dbraw/zinc/97/73/53/562977353.db2.gz KCVRHUQYZBHXFM-LJQANCHMSA-N 0 0 448.566 2.675 50 0 IFAARN CN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)[C@H]1CCS(=O)(=O)C1 ZINC000009962380 562978073 /nfs/dbraw/zinc/97/80/73/562978073.db2.gz DAEAWKOMNJOUNC-INIZCTEOSA-N 0 0 436.603 2.517 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCC3)c1 ZINC000010186727 562978543 /nfs/dbraw/zinc/97/85/43/562978543.db2.gz VBFCHCAZDBSUMI-UHFFFAOYSA-N 0 0 449.536 2.865 50 0 IFAARN Cc1nc(CC(C)C)cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)n1 ZINC000012761231 562983190 /nfs/dbraw/zinc/98/31/90/562983190.db2.gz NWGXCYFHMJJOJJ-INIZCTEOSA-N 0 0 436.603 2.876 50 0 IFAARN COCCNc1nnc(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)s1 ZINC000012979612 562983778 /nfs/dbraw/zinc/98/37/78/562983778.db2.gz QOFPQIMVPPLFRO-CYBMUJFWSA-N 0 0 448.574 2.514 50 0 IFAARN Cc1ccc(NC(=O)CSCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000013012762 562984086 /nfs/dbraw/zinc/98/40/86/562984086.db2.gz BASAOGOSYKEMSR-UHFFFAOYSA-N 0 0 441.553 2.740 50 0 IFAARN Cc1ccc(OCCNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000013012865 562984151 /nfs/dbraw/zinc/98/41/51/562984151.db2.gz SUMOSKKTBPQCHO-UHFFFAOYSA-N 0 0 441.347 2.621 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2NCCCN(CC)c2cccc(C)c2)C1 ZINC000013147494 562985356 /nfs/dbraw/zinc/98/53/56/562985356.db2.gz UWDJOHQVQGKPOC-GOSISDBHSA-N 0 0 427.545 2.699 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000013637829 562998305 /nfs/dbraw/zinc/99/83/05/562998305.db2.gz IHRXUSKCTVQFLE-HNNXBMFYSA-N 0 0 426.897 2.866 50 0 IFAARN CCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000015936575 563018885 /nfs/dbraw/zinc/01/88/85/563018885.db2.gz SZNHCQSQVQISOZ-UHFFFAOYSA-N 0 0 433.511 2.647 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)C[S@](=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1 ZINC000015937067 563019074 /nfs/dbraw/zinc/01/90/74/563019074.db2.gz RMWYHSJBEXXZRF-HKBQPEDESA-N 0 0 447.557 2.944 50 0 IFAARN CC(C)c1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 ZINC000015940531 563019293 /nfs/dbraw/zinc/01/92/93/563019293.db2.gz YJRZJSYMEGMJLV-UHFFFAOYSA-N 0 0 429.586 2.719 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)C1 ZINC000015942374 563019656 /nfs/dbraw/zinc/01/96/56/563019656.db2.gz UVOBWSVDXGGVSY-ZIFCJYIRSA-N 0 0 442.025 2.933 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)c(OC)c1 ZINC000015944019 563020149 /nfs/dbraw/zinc/02/01/49/563020149.db2.gz USLFTLZISWNMNO-HNNXBMFYSA-N 0 0 448.526 2.500 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000015944029 563020157 /nfs/dbraw/zinc/02/01/57/563020157.db2.gz WABCFPHNRUMHMT-CQSZACIVSA-N 0 0 448.526 2.500 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)C1=O ZINC000015951974 563020323 /nfs/dbraw/zinc/02/03/23/563020323.db2.gz PJCOAICJNSQOAG-DEOSSOPVSA-N 0 0 436.512 2.558 50 0 IFAARN Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)n1C[C@@H]1CCCO1 ZINC000018103004 563022259 /nfs/dbraw/zinc/02/22/59/563022259.db2.gz PPRLQBCDDOVUBQ-KRWDZBQOSA-N 0 0 437.496 2.879 50 0 IFAARN CCN1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@@H]23)CC1 ZINC000020208916 563024029 /nfs/dbraw/zinc/02/40/29/563024029.db2.gz XCRDAZGCMFSDHJ-RPWUZVMVSA-N 0 0 449.551 2.705 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1C ZINC000036383962 563094311 /nfs/dbraw/zinc/09/43/11/563094311.db2.gz VQUOOXXLEYOHMI-QHCPKHFHSA-N 0 0 441.597 2.804 50 0 IFAARN COc1cccc(NC(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)c1 ZINC000056949811 563143067 /nfs/dbraw/zinc/14/30/67/563143067.db2.gz WLFHXGBOGHDKBS-UHFFFAOYSA-N 0 0 449.507 2.988 50 0 IFAARN Cn1cc(C(=O)OCc2cc(=O)n3ccccc3n2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000018960311 568630328 /nfs/dbraw/zinc/63/03/28/568630328.db2.gz SFMZAYWZWBQVPX-UHFFFAOYSA-N 0 0 432.436 2.613 50 0 IFAARN Cc1cc(N2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2)nc(C(C)C)n1 ZINC000015033043 568632966 /nfs/dbraw/zinc/63/29/66/568632966.db2.gz YXQDCELILGUATO-UHFFFAOYSA-N 0 0 437.527 2.881 50 0 IFAARN CCOC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@]1(C)O)OCO3 ZINC000248304291 568634607 /nfs/dbraw/zinc/63/46/07/568634607.db2.gz LXOGFILEDJYPBT-QTEQDKRBSA-N 0 0 446.452 2.853 50 0 IFAARN CCOC(=O)CCNC(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 ZINC000015068797 568635266 /nfs/dbraw/zinc/63/52/66/568635266.db2.gz NKLINOVXUGUKGB-UHFFFAOYSA-N 0 0 449.467 2.618 50 0 IFAARN CCOc1cc(/C=c2\sc3nc(-c4ccc(OC)cc4)nn3c2=O)ccc1OC(C)=O ZINC000000908278 568636377 /nfs/dbraw/zinc/63/63/77/568636377.db2.gz ZYDUTHKIMUJQHS-UNOMPAQXSA-N 0 0 437.477 2.698 50 0 IFAARN CC(=O)O[C@H]1CC[C@]23[C@H](O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@]1(C)CC[C@@H]34 ZINC000254415702 568644620 /nfs/dbraw/zinc/64/46/20/568644620.db2.gz XLUGVKZDVVAUBL-RIRLLWDZSA-N 0 0 446.540 2.626 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 ZINC000000958831 568646267 /nfs/dbraw/zinc/64/62/67/568646267.db2.gz XFFKPTNETOYKDG-LBPRGKRZSA-N 0 0 426.498 2.793 50 0 IFAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2N1 ZINC000000959868 568646390 /nfs/dbraw/zinc/64/63/90/568646390.db2.gz UXIDXYARSCXJMA-IBGZPJMESA-N 0 0 435.455 2.798 50 0 IFAARN COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)Nc2cnn(C)c2)c1OC ZINC000025306245 568650956 /nfs/dbraw/zinc/65/09/56/568650956.db2.gz GYFURNYOVSEUDW-UHFFFAOYSA-N 0 0 434.449 2.630 50 0 IFAARN Cc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1-c1ccc(Br)cc1 ZINC000025344153 568654177 /nfs/dbraw/zinc/65/41/77/568654177.db2.gz SPNZCUMLPOUOCW-UHFFFAOYSA-N 0 0 427.306 2.696 50 0 IFAARN CCc1c(-c2ccccc2)n(-c2ccc(OC)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000001078387 568656807 /nfs/dbraw/zinc/65/68/07/568656807.db2.gz ZASIAPIYVRNVKZ-UHFFFAOYSA-N 0 0 429.480 2.914 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)s3)CC2=O)cc1 ZINC000025444778 568658553 /nfs/dbraw/zinc/65/85/53/568658553.db2.gz PCGUBBMJOBNEKG-MRXNPFEDSA-N 0 0 447.582 2.510 50 0 IFAARN CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1 ZINC000001133731 568662200 /nfs/dbraw/zinc/66/22/00/568662200.db2.gz YLDVDUKNINUZFT-UHFFFAOYSA-N 0 0 429.542 2.890 50 0 IFAARN O=C(CCc1ccccc1)N1CCC(NC(=O)c2nccnc2NC(=O)c2ccoc2)CC1 ZINC000034716905 568732895 /nfs/dbraw/zinc/73/28/95/568732895.db2.gz OUUVMNKCCYDWPF-UHFFFAOYSA-N 0 0 447.495 2.676 50 0 IFAARN O=C1CN(C2CCCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 ZINC000063376417 568739741 /nfs/dbraw/zinc/73/97/41/568739741.db2.gz MMOFNVSYNNVNOS-MSOLQXFVSA-N 0 0 441.391 2.986 50 0 IFAARN COC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)Nc1ccc(Br)cc1C ZINC000031618018 568741007 /nfs/dbraw/zinc/74/10/07/568741007.db2.gz WGYJGPUVQNPYCJ-UHFFFAOYSA-N 0 0 426.292 2.667 50 0 IFAARN NC(=O)c1ccccc1OCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000031638154 568741251 /nfs/dbraw/zinc/74/12/51/568741251.db2.gz XHMHIVMEVNCLSF-UHFFFAOYSA-N 0 0 442.825 2.580 50 0 IFAARN COC(=O)c1sc(N)c(C(=O)OC)c1Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000031682995 568741589 /nfs/dbraw/zinc/74/15/89/568741589.db2.gz SDOGTBNDRGOGRX-UHFFFAOYSA-N 0 0 441.391 2.624 50 0 IFAARN O=C(c1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1)N1CCOCC1 ZINC000001953604 568742382 /nfs/dbraw/zinc/74/23/82/568742382.db2.gz FULYSPRKRRWFNK-UHFFFAOYSA-N 0 0 439.899 2.633 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CN1C(=O)NC3(CCCCCCC3)C1=O)CCC2 ZINC000003252921 568744076 /nfs/dbraw/zinc/74/40/76/568744076.db2.gz MSDBYQPUBDRXBY-UHFFFAOYSA-N 0 0 433.530 2.997 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000003343782 568746732 /nfs/dbraw/zinc/74/67/32/568746732.db2.gz AKJONRJLKDNEGU-UHFFFAOYSA-N 0 0 449.510 2.517 50 0 IFAARN CC(C)CCn1nc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c2ccccc2c1=O ZINC000003375641 568748126 /nfs/dbraw/zinc/74/81/26/568748126.db2.gz RRORMBLMSMINFE-UHFFFAOYSA-N 0 0 449.463 2.813 50 0 IFAARN CCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(Cn5ccnc5)cc4)CC3)nc2)no1 ZINC000044094924 568748197 /nfs/dbraw/zinc/74/81/97/568748197.db2.gz IIIGOUMSHPHPOO-UHFFFAOYSA-N 0 0 443.511 2.901 50 0 IFAARN NC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)sc2c1CCCC2 ZINC000003411174 568748646 /nfs/dbraw/zinc/74/86/46/568748646.db2.gz WAJQMUXMNCHCOT-UHFFFAOYSA-N 0 0 433.555 2.763 50 0 IFAARN CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C)s1 ZINC000003442189 568749651 /nfs/dbraw/zinc/74/96/51/568749651.db2.gz CTMNBWAGRYTLPH-INIZCTEOSA-N 0 0 437.521 2.986 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccnc2SC)cc1 ZINC000003452472 568749791 /nfs/dbraw/zinc/74/97/91/568749791.db2.gz UWXYVJWNRWILCW-UHFFFAOYSA-N 0 0 437.543 2.630 50 0 IFAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1ccncc1 ZINC000003622954 568751747 /nfs/dbraw/zinc/75/17/47/568751747.db2.gz LZCCUXZMZDTDNG-OAHLLOKOSA-N 0 0 448.279 2.725 50 0 IFAARN Cc1c(CN2C(=O)c3cccc(N4CCC[C@H](C(=O)NCC(C)C)C4)c3C2=O)cnn1C ZINC000299762136 568755882 /nfs/dbraw/zinc/75/58/82/568755882.db2.gz LBMRTWSPISAKRM-KRWDZBQOSA-N 0 0 437.544 2.513 50 0 IFAARN C[C@H](c1cccs1)N1C(=O)c2cccc(N3CCC(C(=O)N(C)CCO)CC3)c2C1=O ZINC000299771922 568756861 /nfs/dbraw/zinc/75/68/61/568756861.db2.gz XGAPNZAODGKPSD-OAHLLOKOSA-N 0 0 441.553 2.772 50 0 IFAARN Cc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1nccc(-c2ccc3c(c2)OCO3)n1 ZINC000299779488 568757017 /nfs/dbraw/zinc/75/70/17/568757017.db2.gz UGWWJYRFWDCVRW-UHFFFAOYSA-N 0 0 434.500 2.533 50 0 IFAARN Cc1ccccc1[C@]1(CC(=O)N(C)Cc2ccon2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299787592 568757440 /nfs/dbraw/zinc/75/74/40/568757440.db2.gz PKXCETDULUIDLJ-DEOSSOPVSA-N 0 0 432.480 2.624 50 0 IFAARN Cc1cc(C(=O)NCCc2nnc(SC[C@H]3CCCO3)n2-c2ccccc2F)n(C)n1 ZINC000299792178 568757658 /nfs/dbraw/zinc/75/76/58/568757658.db2.gz GPTOIPAXUMUUTG-OAHLLOKOSA-N 0 0 444.536 2.692 50 0 IFAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(C)o2)CC(=O)N(CCc2ccccc2)C1 ZINC000299795038 568757862 /nfs/dbraw/zinc/75/78/62/568757862.db2.gz LQBPRXSNPGSANU-HSZRJFAPSA-N 0 0 441.572 2.729 50 0 IFAARN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)CC1(n2cccc2)CCOCC1 ZINC000263588758 568761195 /nfs/dbraw/zinc/76/11/95/568761195.db2.gz XZJXIADNPCNPII-UHFFFAOYSA-N 0 0 427.501 2.504 50 0 IFAARN COc1ccc(CNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015391111 568761606 /nfs/dbraw/zinc/76/16/06/568761606.db2.gz YJOOKPNCWQTSJE-SFHVURJKSA-N 0 0 432.542 2.954 50 0 IFAARN O=C(COc1ccccc1)NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000263615725 568776096 /nfs/dbraw/zinc/77/60/96/568776096.db2.gz DVMQVMGKPGNTJK-XMMPIXPASA-N 0 0 447.539 2.709 50 0 IFAARN O=C(COc1ccccc1)NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000263615724 568776203 /nfs/dbraw/zinc/77/62/03/568776203.db2.gz DVMQVMGKPGNTJK-DEOSSOPVSA-N 0 0 447.539 2.709 50 0 IFAARN COc1ccc([C@H]2Cn3nnc(CN4CCN(C(=O)c5ccccc5)CC4)c3CO2)cc1 ZINC000263616302 568776461 /nfs/dbraw/zinc/77/64/61/568776461.db2.gz HZMSCDSKFDPSDU-HSZRJFAPSA-N 0 0 433.512 2.516 50 0 IFAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5cccc(C)c5)CC4)c3CO2)cc1 ZINC000263617037 568777068 /nfs/dbraw/zinc/77/70/68/568777068.db2.gz LTVITFUKTVMPOV-QFIPXVFZSA-N 0 0 433.512 2.829 50 0 IFAARN Cn1c2nc(OCc3cccnc3)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O ZINC000001287897 568777072 /nfs/dbraw/zinc/77/70/72/568777072.db2.gz PWXZQGYLQVTBQU-UHFFFAOYSA-N 0 0 446.294 2.763 50 0 IFAARN COc1ccc(CCNC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc1OC ZINC000263617068 568777111 /nfs/dbraw/zinc/77/71/11/568777111.db2.gz LXJJEXMHYUGQJJ-HXUWFJFHSA-N 0 0 426.448 2.678 50 0 IFAARN CCc1cccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)c1 ZINC000263617603 568777284 /nfs/dbraw/zinc/77/72/84/568777284.db2.gz ORIJWXQOWYQNMB-UHFFFAOYSA-N 0 0 449.496 2.714 50 0 IFAARN COc1cc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc(OC)c1OC ZINC000263617588 568777320 /nfs/dbraw/zinc/77/73/20/568777320.db2.gz OPSOKHSJNNOHRV-GOSISDBHSA-N 0 0 428.420 2.967 50 0 IFAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5cccc(OC)c5)CC4)c3CO2)cc1 ZINC000263617990 568777412 /nfs/dbraw/zinc/77/74/12/568777412.db2.gz QUJRDLSZGPXBMN-QFIPXVFZSA-N 0 0 449.511 2.529 50 0 IFAARN O=C(NCc1ccccc1)N1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000263617903 568777470 /nfs/dbraw/zinc/77/74/70/568777470.db2.gz QGQBNSOAKZVOIJ-HSZRJFAPSA-N 0 0 432.528 2.577 50 0 IFAARN COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)N5CCCC5)CC4)c3CO2)cc1 ZINC000263618273 568778217 /nfs/dbraw/zinc/77/82/17/568778217.db2.gz SAQFQLDKMCZJMD-NRFANRHFSA-N 0 0 438.528 2.638 50 0 IFAARN O=C(NCC(F)F)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000263619641 568778453 /nfs/dbraw/zinc/77/84/53/568778453.db2.gz ZTBBKGHYEHRKBK-QGZVFWFLSA-N 0 0 436.434 2.527 50 0 IFAARN COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc21 ZINC000001320749 568779864 /nfs/dbraw/zinc/77/98/64/568779864.db2.gz ITSDBEOZCKSHBW-UHFFFAOYSA-N 0 0 429.454 2.519 50 0 IFAARN CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc21 ZINC000001320758 568779898 /nfs/dbraw/zinc/77/98/98/568779898.db2.gz OSSANPJUNLSJGD-UHFFFAOYSA-N 0 0 443.481 2.909 50 0 IFAARN Cc1cc(OCC(=O)N2CCC[C@H]2C(N)=O)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000032124051 568781521 /nfs/dbraw/zinc/78/15/21/568781521.db2.gz FIXHNPBIYFUHJP-IBGZPJMESA-N 0 0 434.492 2.856 50 0 IFAARN CCn1cc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(CNC(=O)OC(C)(C)C)n3)cc2)cn1 ZINC000083843596 568782847 /nfs/dbraw/zinc/78/28/47/568782847.db2.gz JAWQCKJMGLQLOW-UHFFFAOYSA-N 0 0 447.521 2.514 50 0 IFAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccncc2)cc1 ZINC000001418787 568791031 /nfs/dbraw/zinc/79/10/31/568791031.db2.gz QFXRNZXBIZIIJA-HSZRJFAPSA-N 0 0 433.464 2.927 50 0 IFAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccncc2)cc1 ZINC000001418786 568791033 /nfs/dbraw/zinc/79/10/33/568791033.db2.gz QFXRNZXBIZIIJA-QHCPKHFHSA-N 0 0 433.464 2.927 50 0 IFAARN O=C(c1c(F)cccc1F)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000012752874 568795633 /nfs/dbraw/zinc/79/56/33/568795633.db2.gz RAFMPICHJDIKSN-UHFFFAOYSA-N 0 0 445.285 2.874 50 0 IFAARN O=S(=O)(NCCc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000084380038 568797597 /nfs/dbraw/zinc/79/75/97/568797597.db2.gz IFSFZPNODLQRBS-UHFFFAOYSA-N 0 0 448.488 2.667 50 0 IFAARN CC(C)[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000084456343 568798201 /nfs/dbraw/zinc/79/82/01/568798201.db2.gz RJRWIQSJZQPRLN-MEGFKASBSA-N 0 0 433.574 2.997 50 0 IFAARN O=S(=O)(NCCNc1nnnn1-c1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000084572652 568798857 /nfs/dbraw/zinc/79/88/57/568798857.db2.gz JARYTWXJVTZEQI-UHFFFAOYSA-N 0 0 446.842 2.725 50 0 IFAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000015672263 568803164 /nfs/dbraw/zinc/80/31/64/568803164.db2.gz XFHVUGWPNUGXSS-INIZCTEOSA-N 0 0 429.546 2.596 50 0 IFAARN CN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000015678570 568805224 /nfs/dbraw/zinc/80/52/24/568805224.db2.gz QIDXATXBNDZEKO-UHFFFAOYSA-N 0 0 439.415 2.806 50 0 IFAARN Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)[nH]n2)cc1C ZINC000015680627 568806310 /nfs/dbraw/zinc/80/63/10/568806310.db2.gz KXVZCBRLZZBAPF-UHFFFAOYSA-N 0 0 438.553 2.981 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O ZINC000015720869 568811783 /nfs/dbraw/zinc/81/17/83/568811783.db2.gz YCEYKFMKEKAKFT-UHFFFAOYSA-N 0 0 431.489 2.970 50 0 IFAARN C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)NCc1ccc(F)cc1 ZINC000015726704 568812513 /nfs/dbraw/zinc/81/25/13/568812513.db2.gz QHMSMAWZCKAYED-QWHCGFSZSA-N 0 0 436.530 2.985 50 0 IFAARN CCOCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000015727922 568812811 /nfs/dbraw/zinc/81/28/11/568812811.db2.gz ZEXNKXIVDNLHMR-UHFFFAOYSA-N 0 0 425.441 2.599 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CCS4)CC2)c1 ZINC000015728389 568813159 /nfs/dbraw/zinc/81/31/59/568813159.db2.gz BGRULDFWKGZCJT-UHFFFAOYSA-N 0 0 433.555 2.640 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)C1 ZINC000015733703 568816144 /nfs/dbraw/zinc/81/61/44/568816144.db2.gz RBNYGDPBLNHPIO-MRXNPFEDSA-N 0 0 428.510 2.773 50 0 IFAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)N(Cc3ccco3)C3CCCC3)cn2)CC1 ZINC000015767222 568821595 /nfs/dbraw/zinc/82/15/95/568821595.db2.gz KANQNYIBZCJIDN-UHFFFAOYSA-N 0 0 434.562 2.868 50 0 IFAARN CCOc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC000015767845 568821952 /nfs/dbraw/zinc/82/19/52/568821952.db2.gz ZUPZKPJFGVOIJZ-UHFFFAOYSA-N 0 0 426.498 2.672 50 0 IFAARN Cc1cc2nc(COC(=O)c3ccc(NC(=O)COc4ccccc4)cc3)cc(=O)n2o1 ZINC000015772174 568822594 /nfs/dbraw/zinc/82/25/94/568822594.db2.gz LSBWOSJYGIVJFR-UHFFFAOYSA-N 0 0 433.420 2.970 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NC1CCCCC1 ZINC000015775679 568823418 /nfs/dbraw/zinc/82/34/18/568823418.db2.gz KZYUUTZOSCQZSS-OAQYLSRUSA-N 0 0 433.574 2.588 50 0 IFAARN COc1ccc(NC(=O)CCc2nnc3ccc(NCc4cccnc4)nn32)cc1OC ZINC000015776305 568823809 /nfs/dbraw/zinc/82/38/09/568823809.db2.gz IUAVPKQCBIDBHM-UHFFFAOYSA-N 0 0 433.472 2.720 50 0 IFAARN Cc1onc2c1c(C)nn(CCC(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)c2=O ZINC000085602507 568827189 /nfs/dbraw/zinc/82/71/89/568827189.db2.gz KGHRJJQKLDDFJK-UHFFFAOYSA-N 0 0 449.433 2.759 50 0 IFAARN CCCNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)CC1 ZINC000085641738 568828908 /nfs/dbraw/zinc/82/89/08/568828908.db2.gz NXNWULSKYDLOBY-UHFFFAOYSA-N 0 0 441.619 2.691 50 0 IFAARN COc1cccc(NC(=O)Cn2nc3c4cc(-c5ccc(C)cc5)nn4ccn3c2=O)c1 ZINC000085643015 568829374 /nfs/dbraw/zinc/82/93/74/568829374.db2.gz ARIRPEXKWJUXIZ-UHFFFAOYSA-N 0 0 428.452 2.766 50 0 IFAARN CCCCNC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000085643647 568829385 /nfs/dbraw/zinc/82/93/85/568829385.db2.gz AHXOCTZRKMMXRG-UHFFFAOYSA-N 0 0 425.551 2.928 50 0 IFAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccccc1 ZINC000085645154 568829586 /nfs/dbraw/zinc/82/95/86/568829586.db2.gz GFPXBOPTRYVQFI-UHFFFAOYSA-N 0 0 441.557 2.703 50 0 IFAARN Cc1cccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000085645066 568829990 /nfs/dbraw/zinc/82/99/90/568829990.db2.gz UPBLQOWXWBGARS-UHFFFAOYSA-N 0 0 427.530 2.943 50 0 IFAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)c1C ZINC000085650892 568830906 /nfs/dbraw/zinc/83/09/06/568830906.db2.gz NVQRJJDUPYGSSA-UHFFFAOYSA-N 0 0 446.573 2.907 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)cc1 ZINC000085650909 568830926 /nfs/dbraw/zinc/83/09/26/568830926.db2.gz YWHFPDVRMQTDBX-UHFFFAOYSA-N 0 0 432.546 2.599 50 0 IFAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2nc3cc(C)ccc3o2)CC1 ZINC000085650005 568831252 /nfs/dbraw/zinc/83/12/52/568831252.db2.gz UZSMNXPJQOBVBN-UHFFFAOYSA-N 0 0 442.541 2.910 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)sc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1F ZINC000085651925 568831676 /nfs/dbraw/zinc/83/16/76/568831676.db2.gz VNLHRIMQDJKWRW-UHFFFAOYSA-N 0 0 449.529 2.934 50 0 IFAARN Cc1cc(C)cc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)c1 ZINC000015824873 568840589 /nfs/dbraw/zinc/84/05/89/568840589.db2.gz FBRRAIGHFIFEGN-UHFFFAOYSA-N 0 0 431.475 2.929 50 0 IFAARN CCOC(=O)[C@@H](C)NC(=O)N1CCC(c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000015828004 568841114 /nfs/dbraw/zinc/84/11/14/568841114.db2.gz IUFYONYLIFLLIX-CQSZACIVSA-N 0 0 445.545 2.939 50 0 IFAARN COc1cc([C@@H]2Nc3ccccc3-n3cc4c(c32)n(C)c(=O)n(C)c4=O)cc(OC)c1OC ZINC000015834430 568842743 /nfs/dbraw/zinc/84/27/43/568842743.db2.gz LSLXNHAWTOJKGL-IBGZPJMESA-N 0 0 448.479 2.569 50 0 IFAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCCn2ccnc2)cc1 ZINC000006135049 568845049 /nfs/dbraw/zinc/84/50/49/568845049.db2.gz VDMHTMODKAXXSI-JOCHJYFZSA-N 0 0 438.553 2.514 50 0 IFAARN COc1ccccc1CCNC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl ZINC000015858340 568846396 /nfs/dbraw/zinc/84/63/96/568846396.db2.gz HRBFAYFKAGFSFI-CYBMUJFWSA-N 0 0 436.917 2.634 50 0 IFAARN COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)c(OC)c1 ZINC000015858440 568846619 /nfs/dbraw/zinc/84/66/19/568846619.db2.gz RQHSDVWESDBQMT-LLVKDONJSA-N 0 0 438.889 2.922 50 0 IFAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)nc1 ZINC000006156808 568848274 /nfs/dbraw/zinc/84/82/74/568848274.db2.gz FTPLHQVNFQCOMD-UHFFFAOYSA-N 0 0 430.313 2.970 50 0 IFAARN Cc1ccc2nc(CN3CCN(S(=O)(=O)c4cccc5nsnc54)CC3)oc2c1 ZINC000015864032 568849527 /nfs/dbraw/zinc/84/95/27/568849527.db2.gz IPKMPODEGWTYEM-UHFFFAOYSA-N 0 0 429.527 2.647 50 0 IFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)Nc1cc(C)cc(C)c1 ZINC000015866064 568850736 /nfs/dbraw/zinc/85/07/36/568850736.db2.gz AHIYNGRIOJVBTM-UHFFFAOYSA-N 0 0 435.546 2.835 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C\c3ccc(C(=O)OC)cc3)C(=O)O2)c1 ZINC000006173353 568850952 /nfs/dbraw/zinc/85/09/52/568850952.db2.gz ZNIRNOAWCXHJOX-UYRXBGFRSA-N 0 0 442.493 2.848 50 0 IFAARN O=C(CSc1nnc2ccc(-c3ccccn3)nn21)N1CCN(c2ccccc2)CC1 ZINC000015881732 568856186 /nfs/dbraw/zinc/85/61/86/568856186.db2.gz WPUWGLCVVVPIQI-UHFFFAOYSA-N 0 0 431.525 2.627 50 0 IFAARN O=C(CSc1nnc2ccc(-c3ccncc3)nn21)N1CCN(c2ccccc2)CC1 ZINC000015881744 568856188 /nfs/dbraw/zinc/85/61/88/568856188.db2.gz VJODDVVYNDTLLH-UHFFFAOYSA-N 0 0 431.525 2.627 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1 ZINC000015882334 568856267 /nfs/dbraw/zinc/85/62/67/568856267.db2.gz HZLUQRPJPCBHAS-UHFFFAOYSA-N 0 0 445.589 2.767 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 ZINC000015882175 568856783 /nfs/dbraw/zinc/85/67/83/568856783.db2.gz PPENUNNBMXIISL-UHFFFAOYSA-N 0 0 438.509 2.984 50 0 IFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(Cl)cc1 ZINC000015883444 568857552 /nfs/dbraw/zinc/85/75/52/568857552.db2.gz COYBXRQZHLUNBV-UHFFFAOYSA-N 0 0 432.933 2.969 50 0 IFAARN CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(F)cc1F ZINC000015883473 568857803 /nfs/dbraw/zinc/85/78/03/568857803.db2.gz MSILHNMTIAAXJK-UHFFFAOYSA-N 0 0 434.468 2.765 50 0 IFAARN COc1ccc(NC(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000015883671 568857819 /nfs/dbraw/zinc/85/78/19/568857819.db2.gz FLPSDMNHWKJLJF-UHFFFAOYSA-N 0 0 442.541 2.570 50 0 IFAARN COc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)cc1 ZINC000015884037 568857916 /nfs/dbraw/zinc/85/79/16/568857916.db2.gz MVJFTCXJTNLZOD-UHFFFAOYSA-N 0 0 443.511 2.798 50 0 IFAARN COc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)cc1OC ZINC000015884232 568858096 /nfs/dbraw/zinc/85/80/96/568858096.db2.gz NPJLBFNQCTVTEM-UHFFFAOYSA-N 0 0 429.498 2.827 50 0 IFAARN O=S(=O)(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccccc1C(F)(F)F ZINC000575414571 568862271 /nfs/dbraw/zinc/86/22/71/568862271.db2.gz KYFLCWHUZSVJSU-VIFPVBQESA-N 0 0 428.358 2.900 50 0 IFAARN O=C(c1cnn(-c2ccccc2)n1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414869 568862494 /nfs/dbraw/zinc/86/24/94/568862494.db2.gz MNPALRNTNPGCCZ-IBGZPJMESA-N 0 0 430.917 2.923 50 0 IFAARN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O ZINC000012939969 568868395 /nfs/dbraw/zinc/86/83/95/568868395.db2.gz ZIUSGPLNJLUBAT-INIZCTEOSA-N 0 0 436.295 2.631 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)c1 ZINC000016047557 568868976 /nfs/dbraw/zinc/86/89/76/568868976.db2.gz UUSPEKKDZCVVCI-UHFFFAOYSA-N 0 0 433.468 2.855 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc3ccccn3c(=O)n1)CCC2 ZINC000016048063 568869398 /nfs/dbraw/zinc/86/93/98/568869398.db2.gz OHXMDLZPJDOXTG-LLVKDONJSA-N 0 0 444.538 2.936 50 0 IFAARN COc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n[nH]2)cc1 ZINC000012941106 568869794 /nfs/dbraw/zinc/86/97/94/568869794.db2.gz MQFZDOVKUSBDGW-UHFFFAOYSA-N 0 0 427.486 2.517 50 0 IFAARN CC[C@H](C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 ZINC000012941731 568869931 /nfs/dbraw/zinc/86/99/31/568869931.db2.gz ATLHVUAVXDZXAN-HNNXBMFYSA-N 0 0 446.573 2.677 50 0 IFAARN COc1ccc(N(C[C@H](O)Cn2nnc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000006184235 568870732 /nfs/dbraw/zinc/87/07/32/568870732.db2.gz UOYZEWXMTAQPCE-GOSISDBHSA-N 0 0 438.509 2.696 50 0 IFAARN C[C@@H]1CCCN(c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2Cc2ccco2)C1 ZINC000012945605 568870942 /nfs/dbraw/zinc/87/09/42/568870942.db2.gz PJGZKFKEFCXDFS-CQSZACIVSA-N 0 0 434.566 2.872 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1OC ZINC000012948172 568871408 /nfs/dbraw/zinc/87/14/08/568871408.db2.gz LYJOMASJZHVERQ-LRDDRELGSA-N 0 0 430.432 2.517 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012948230 568871490 /nfs/dbraw/zinc/87/14/90/568871490.db2.gz OJPOXNTXWLXIEE-UHFFFAOYSA-N 0 0 442.459 2.926 50 0 IFAARN COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)NC4CCCC4)[C@@H]5C3=O)nc2c1 ZINC000015905446 568872573 /nfs/dbraw/zinc/87/25/73/568872573.db2.gz IYFIFVRJEYGKAR-UVLLPENVSA-N 0 0 425.510 2.650 50 0 IFAARN O=C(Nc1ccc(OCc2ccccc2)cc1)C1CN(c2cc(-n3cncn3)ncn2)C1 ZINC000575609058 568878732 /nfs/dbraw/zinc/87/87/32/568878732.db2.gz IPIFCBTXNPBSMD-UHFFFAOYSA-N 0 0 427.468 2.711 50 0 IFAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cccs2)n2nc(C)cc2C)c1 ZINC000575609688 568878913 /nfs/dbraw/zinc/87/89/13/568878913.db2.gz DPUMTKOOBBQTFW-INIZCTEOSA-N 0 0 449.554 2.925 50 0 IFAARN Cn1c(=O)n(C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)nc1C(F)(F)F ZINC000575614841 568881136 /nfs/dbraw/zinc/88/11/36/568881136.db2.gz KHUFELUZALJASW-UHFFFAOYSA-N 0 0 427.408 2.794 50 0 IFAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCN(c2cc3c(nn2)CCC3)CC1 ZINC000575619072 568882506 /nfs/dbraw/zinc/88/25/06/568882506.db2.gz GBNHCKPBJQBCOI-UHFFFAOYSA-N 0 0 426.464 2.636 50 0 IFAARN O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575619163 568882766 /nfs/dbraw/zinc/88/27/66/568882766.db2.gz IDVBAJOBZKCFIB-UHFFFAOYSA-N 0 0 429.365 2.689 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC000010511373 568884443 /nfs/dbraw/zinc/88/44/43/568884443.db2.gz IEWVTFRMKQTRDJ-HNNXBMFYSA-N 0 0 436.555 2.763 50 0 IFAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000102422938 568884819 /nfs/dbraw/zinc/88/48/19/568884819.db2.gz RMFISHJSQJVLNJ-IRXDYDNUSA-N 0 0 440.887 2.832 50 0 IFAARN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)C1 ZINC000222215203 568885056 /nfs/dbraw/zinc/88/50/56/568885056.db2.gz AFJRDKZSKWDLSA-XMCHAPAWSA-N 0 0 428.485 2.951 50 0 IFAARN COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000226849909 568885611 /nfs/dbraw/zinc/88/56/11/568885611.db2.gz LNRRHEGBTGNKRX-CTVDGRRTSA-N 0 0 426.465 2.651 50 0 IFAARN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000227710987 568886254 /nfs/dbraw/zinc/88/62/54/568886254.db2.gz BJJGGWIDCVGKOP-FTBPSBKWSA-N 0 0 448.567 2.848 50 0 IFAARN O=S(=O)(Cc1cccc(F)c1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 ZINC000090558869 568887827 /nfs/dbraw/zinc/88/78/27/568887827.db2.gz QUWOHBMXDIUDLS-UHFFFAOYSA-N 0 0 443.504 2.800 50 0 IFAARN Cn1nc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1-c1cccs1 ZINC000090607045 568889712 /nfs/dbraw/zinc/88/97/12/568889712.db2.gz REZUXMMOZZUSTD-UHFFFAOYSA-N 0 0 430.555 2.863 50 0 IFAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)COc3ccc(-n4cccn4)nn3)cc2)n1 ZINC000090607724 568890122 /nfs/dbraw/zinc/89/01/22/568890122.db2.gz QAXYRFPPXCWNFN-UHFFFAOYSA-N 0 0 445.487 2.954 50 0 IFAARN COc1cccc(N2C[C@H](C(=O)NCCc3csc(-n4nc(C)cc4C)n3)CC2=O)c1 ZINC000090609334 568891199 /nfs/dbraw/zinc/89/11/99/568891199.db2.gz CCSWUZNYPWUVHA-MRXNPFEDSA-N 0 0 439.541 2.666 50 0 IFAARN O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)Nc1ccc2c(c1)OCCO2 ZINC000090610277 568892297 /nfs/dbraw/zinc/89/22/97/568892297.db2.gz ZUQNWZBGTKQDAD-UHFFFAOYSA-N 0 0 435.461 2.693 50 0 IFAARN O=C(NCc1ccc([C@H](O)c2cccs2)s1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000090613769 568892388 /nfs/dbraw/zinc/89/23/88/568892388.db2.gz TVAWGWGQMJXRTH-GOSISDBHSA-N 0 0 430.507 2.917 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2cccnc2)c1 ZINC000040050027 568896229 /nfs/dbraw/zinc/89/62/29/568896229.db2.gz IMYLKEAIJMMKNL-JXMROGBWSA-N 0 0 444.557 2.601 50 0 IFAARN CCO[C@]1(c2ccc(OC)cc2)N=C2ON=CN=C2N1OCC(=O)c1ccc(OC)cc1 ZINC000071415988 568897181 /nfs/dbraw/zinc/89/71/81/568897181.db2.gz CORWVQOOAYFLAH-JOCHJYFZSA-N 0 0 438.440 2.751 50 0 IFAARN C[C@@H](Sc1nnc(CCC(N)=O)n1C1CC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012999427 568898084 /nfs/dbraw/zinc/89/80/84/568898084.db2.gz UBQFYEIVTHABHD-MRXNPFEDSA-N 0 0 441.601 2.993 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000013002256 568898307 /nfs/dbraw/zinc/89/83/07/568898307.db2.gz DYAGXFYWWPKJFP-UHFFFAOYSA-N 0 0 425.510 2.826 50 0 IFAARN CCOc1ccccc1N1C[C@@H](C(=O)N(CC)CC(=O)NCc2cccs2)CC1=O ZINC000013004038 568898726 /nfs/dbraw/zinc/89/87/26/568898726.db2.gz DCDRDXDUAGKHGO-INIZCTEOSA-N 0 0 429.542 2.665 50 0 IFAARN CCCCn1c(N)c(N(CC)C(=O)CSCc2ccc(Cl)s2)c(=O)[nH]c1=O ZINC000013005755 568899269 /nfs/dbraw/zinc/89/92/69/568899269.db2.gz CUVPZPAXAYGZHR-UHFFFAOYSA-N 0 0 430.983 2.920 50 0 IFAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000013010168 568899924 /nfs/dbraw/zinc/89/99/24/568899924.db2.gz RVVCGXXSCYUFQZ-UHFFFAOYSA-N 0 0 438.553 2.944 50 0 IFAARN Cc1cccc2c1ncn(CC(=O)N1CCC(C(=O)N3CCc4ccccc4C3)CC1)c2=O ZINC000013011834 568901004 /nfs/dbraw/zinc/90/10/04/568901004.db2.gz BXVGLFVWBRBERJ-UHFFFAOYSA-N 0 0 444.535 2.528 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c1 ZINC000013015967 568901610 /nfs/dbraw/zinc/90/16/10/568901610.db2.gz RQLGOZRCDRMKII-OAHLLOKOSA-N 0 0 438.571 2.791 50 0 IFAARN CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000013017778 568901848 /nfs/dbraw/zinc/90/18/48/568901848.db2.gz GYDVOGPNYHSTBT-UHFFFAOYSA-N 0 0 432.480 2.738 50 0 IFAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000239439107 568911698 /nfs/dbraw/zinc/91/16/98/568911698.db2.gz ZKXHQSHCOVDPJB-XETNVZRVSA-N 0 0 434.398 2.692 50 0 IFAARN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)NC(=O)NCc2ccco2)[C@@H]2CCCC[C@@H]12 ZINC000241587902 568912278 /nfs/dbraw/zinc/91/22/78/568912278.db2.gz OYBLANNHSRRSGN-FLFBIERCSA-N 0 0 432.565 2.789 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)[C@H](c3ccco3)C2)cc1 ZINC000241815962 568912355 /nfs/dbraw/zinc/91/23/55/568912355.db2.gz SEMNONKIKNRDCV-GGPKGHCWSA-N 0 0 433.464 2.917 50 0 IFAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000245240522 568913338 /nfs/dbraw/zinc/91/33/38/568913338.db2.gz ZAOKSCPLTUYESP-FWGLHTQWSA-N 0 0 434.398 2.692 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3cccnc3)CC2)cc1 ZINC000245255295 568913556 /nfs/dbraw/zinc/91/35/56/568913556.db2.gz HDTBECVDEOUZBC-QAQDUYKDSA-N 0 0 430.530 2.763 50 0 IFAARN Cc1ccc(NC(=O)CNC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000245309694 568914256 /nfs/dbraw/zinc/91/42/56/568914256.db2.gz FMAFIYBPJAVWCZ-WGSAOQKQSA-N 0 0 443.569 2.835 50 0 IFAARN COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(F)cc1F ZINC000089319573 568920792 /nfs/dbraw/zinc/92/07/92/568920792.db2.gz JLYQHPOCEAKBDH-MRXNPFEDSA-N 0 0 446.859 2.513 50 0 IFAARN CN(C)C(=O)CNC(=O)c1ccc(NC(=O)CSCC(=O)c2ccccc2)cc1Cl ZINC000089311978 568920836 /nfs/dbraw/zinc/92/08/36/568920836.db2.gz SLRYEJVWZNKFCG-UHFFFAOYSA-N 0 0 447.944 2.713 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccccc1 ZINC000006489296 568923198 /nfs/dbraw/zinc/92/31/98/568923198.db2.gz OSQZKPQOLBSKTH-PRWBYUBPSA-N 0 0 448.500 2.527 50 0 IFAARN COc1cc(CNc2cccc(N3CCOC3=O)c2)ccc1OCC(=O)N1CCOCC1 ZINC000089429165 568924845 /nfs/dbraw/zinc/92/48/45/568924845.db2.gz KGXKBVITUQCKMI-UHFFFAOYSA-N 0 0 441.484 2.502 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc32)no1 ZINC000064450647 568928555 /nfs/dbraw/zinc/92/85/55/568928555.db2.gz XLMWCXPBLVOZFE-UHFFFAOYSA-N 0 0 442.497 2.975 50 0 IFAARN COCCNC(=O)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ZINC000064473333 568930323 /nfs/dbraw/zinc/93/03/23/568930323.db2.gz LURWIIDERDLUPI-UHFFFAOYSA-N 0 0 432.322 2.728 50 0 IFAARN Cc1ccc(CNC(=O)CCC(=O)N2CCc3c(c(C(=O)Nc4ccccc4)nn3C)C2)o1 ZINC000064565634 568932531 /nfs/dbraw/zinc/93/25/31/568932531.db2.gz QVJRDSSJDPERHZ-UHFFFAOYSA-N 0 0 449.511 2.555 50 0 IFAARN CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)Cc1cccc(OC)c1)CC2 ZINC000064567134 568933419 /nfs/dbraw/zinc/93/34/19/568933419.db2.gz JANLJYCCRMIVTI-UHFFFAOYSA-N 0 0 426.546 2.556 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3c4ccccc4C[C@H]3C)CC2)c(C)c1 ZINC000006586596 568933860 /nfs/dbraw/zinc/93/38/60/568933860.db2.gz LVAPSRPSWHGOEV-LJQANCHMSA-N 0 0 427.570 2.588 50 0 IFAARN Cc1ccc(Cn2c(=O)c(N3CCC(NC(=O)NC(C)C)CC3)nc3cccnc32)cc1 ZINC000064579249 568934261 /nfs/dbraw/zinc/93/42/61/568934261.db2.gz AYWTZBHJRBCZOQ-UHFFFAOYSA-N 0 0 434.544 2.825 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)cc1 ZINC000064593337 568935889 /nfs/dbraw/zinc/93/58/89/568935889.db2.gz MLCPALOHCYLGSK-UHFFFAOYSA-N 0 0 425.445 2.759 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC(NC(=O)c3ccc(-c4ccccc4)nc3C)C2)cc1 ZINC000089537044 568936637 /nfs/dbraw/zinc/93/66/37/568936637.db2.gz OKTFAGZCNKUFCT-UHFFFAOYSA-N 0 0 437.521 2.869 50 0 IFAARN COc1cc(NC2CCN(C(=O)c3cc(S(N)(=O)=O)cc(C)c3C)CC2)cc(OC)c1 ZINC000089585569 568938734 /nfs/dbraw/zinc/93/87/34/568938734.db2.gz QHRKQBXDWODFBX-UHFFFAOYSA-N 0 0 447.557 2.685 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccsc1 ZINC000035991626 568941796 /nfs/dbraw/zinc/94/17/96/568941796.db2.gz OPLRDBCRAWNQCH-KDOFPFPSSA-N 0 0 435.546 2.537 50 0 IFAARN CCNC(=O)N(CCOC)Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1C(C)C ZINC000036040601 568943896 /nfs/dbraw/zinc/94/38/96/568943896.db2.gz MQGZFLIKJAOKPK-UHFFFAOYSA-N 0 0 436.578 2.924 50 0 IFAARN CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccco1 ZINC000036070209 568945419 /nfs/dbraw/zinc/94/54/19/568945419.db2.gz QCMLRZOTINDKMO-UHFFFAOYSA-N 0 0 449.511 2.556 50 0 IFAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CC(C)C)C(C)=O)CC3)nn2)cc1 ZINC000036071322 568945885 /nfs/dbraw/zinc/94/58/85/568945885.db2.gz HXXUGPVJXRLCQW-UHFFFAOYSA-N 0 0 439.560 2.695 50 0 IFAARN CCC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(C)C ZINC000036074223 568946370 /nfs/dbraw/zinc/94/63/70/568946370.db2.gz ITCSGPVLYVBIGN-UHFFFAOYSA-N 0 0 427.524 2.968 50 0 IFAARN C[C@H](c1ccccc1)n1c(=O)c(C(=O)NCc2ccco2)nn(-c2ccccc2F)c1=O ZINC000036085370 568947945 /nfs/dbraw/zinc/94/79/45/568947945.db2.gz ZNXAKJCFHBDTMS-OAHLLOKOSA-N 0 0 434.427 2.666 50 0 IFAARN O=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O ZINC000036085896 568948296 /nfs/dbraw/zinc/94/82/96/568948296.db2.gz KGQVUNNXAAIGKY-UHFFFAOYSA-N 0 0 430.439 2.512 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccc(F)cc3)nn(-c3ccccc3)c2=O)c1 ZINC000036086020 568948323 /nfs/dbraw/zinc/94/83/23/568948323.db2.gz GTEVRWPWIJTLIB-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN COc1cccc(Cn2c(=O)c(C(=O)Nc3ccc(F)cc3)nn(-c3ccccc3)c2=O)c1 ZINC000036086118 568948509 /nfs/dbraw/zinc/94/85/09/568948509.db2.gz ZROPHNFUZSMKTQ-UHFFFAOYSA-N 0 0 446.438 2.843 50 0 IFAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccco3)nn(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000036086313 568948664 /nfs/dbraw/zinc/94/86/64/568948664.db2.gz ZOFJAAUPFGHGCU-UHFFFAOYSA-N 0 0 444.491 2.891 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCC(C)C)nn(-c3cccc(Cl)c3)c2=O)c1 ZINC000036087434 568948770 /nfs/dbraw/zinc/94/87/70/568948770.db2.gz QAVSJURYYPCKFF-UHFFFAOYSA-N 0 0 426.904 2.790 50 0 IFAARN Cc1ccc(Cn2c(=O)c(C(=O)NCC(C)C)nn(-c3cccc(Cl)c3)c2=O)cc1 ZINC000036087380 568948840 /nfs/dbraw/zinc/94/88/40/568948840.db2.gz AQYXUMBRUVDSEW-UHFFFAOYSA-N 0 0 426.904 2.790 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036087494 568948876 /nfs/dbraw/zinc/94/88/76/568948876.db2.gz FTBNABQDVQKLJK-CYBMUJFWSA-N 0 0 430.867 2.763 50 0 IFAARN CC(C)CNC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036087486 568948879 /nfs/dbraw/zinc/94/88/79/568948879.db2.gz CRJBVORXCJDGFY-UHFFFAOYSA-N 0 0 430.867 2.621 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3cccc(C)c3)c2=O)cc1 ZINC000036086643 568948980 /nfs/dbraw/zinc/94/89/80/568948980.db2.gz OOWJRIXVAGTRSE-UHFFFAOYSA-N 0 0 440.503 2.989 50 0 IFAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccccc3)nn(-c3cccc(C)c3)c2=O)cc1 ZINC000036086943 568949194 /nfs/dbraw/zinc/94/91/94/568949194.db2.gz LXQOWUBFZFIPRY-UHFFFAOYSA-N 0 0 440.503 2.989 50 0 IFAARN CCN(C)C(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036086910 568949244 /nfs/dbraw/zinc/94/92/44/568949244.db2.gz AIZBELACUJTUBN-UHFFFAOYSA-N 0 0 446.429 2.862 50 0 IFAARN CCCNC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000036087063 568949437 /nfs/dbraw/zinc/94/94/37/568949437.db2.gz WLDRCTGIHQMRPI-UHFFFAOYSA-N 0 0 446.429 2.910 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2cccc(OC)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036087742 568949688 /nfs/dbraw/zinc/94/96/88/568949688.db2.gz CAUDZHRSRQIIAY-AWEZNQCLSA-N 0 0 442.903 2.633 50 0 IFAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccco3)nn(-c3ccc(C)c(F)c3)c2=O)cc1 ZINC000036088772 568949971 /nfs/dbraw/zinc/94/99/71/568949971.db2.gz LFJAPMFCJUCAMF-UHFFFAOYSA-N 0 0 448.454 2.721 50 0 IFAARN CCN(C)C(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036088953 568950067 /nfs/dbraw/zinc/95/00/67/568950067.db2.gz SXDVHALGHZHFNA-UHFFFAOYSA-N 0 0 430.867 2.635 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCc3ccco3)c(=O)n([C@H](C)c3ccccc3)c2=O)cc1F ZINC000036088968 568950110 /nfs/dbraw/zinc/95/01/10/568950110.db2.gz MDCXRABLZQCHBU-MRXNPFEDSA-N 0 0 448.454 2.974 50 0 IFAARN CCCNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036088190 568950293 /nfs/dbraw/zinc/95/02/93/568950293.db2.gz KBDSXGQRSWJMTC-UHFFFAOYSA-N 0 0 446.429 2.910 50 0 IFAARN CCNC(=O)c1nn(-c2cc(C)cc(C)c2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036093985 568950848 /nfs/dbraw/zinc/95/08/48/568950848.db2.gz ZKYXPUYNQDLEGV-UHFFFAOYSA-N 0 0 446.429 2.828 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccco3)nn(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000036094017 568950868 /nfs/dbraw/zinc/95/08/68/568950868.db2.gz NORYFNZPKBTSSH-UHFFFAOYSA-N 0 0 444.491 2.891 50 0 IFAARN O=C(CCNc1c(-c2ccc(F)cc2)nc2cnccn21)N1CCC2(CC1)OCCO2 ZINC000064758660 568951637 /nfs/dbraw/zinc/95/16/37/568951637.db2.gz OIWKZPKWYDFQBU-UHFFFAOYSA-N 0 0 425.464 2.703 50 0 IFAARN CCNC(=O)c1cnc(-c2ccccc2)n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O ZINC000064759390 568951881 /nfs/dbraw/zinc/95/18/81/568951881.db2.gz OJNVQWGAUBLULL-UHFFFAOYSA-N 0 0 440.887 2.961 50 0 IFAARN CCCCN1C(=O)[C@](C)(C(=O)N2CCN(c3ccccc3F)CC2)Oc2cccnc21 ZINC000064759734 568951959 /nfs/dbraw/zinc/95/19/59/568951959.db2.gz RKAUAAFMGDXQNJ-QHCPKHFHSA-N 0 0 426.492 2.854 50 0 IFAARN C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775974 568954938 /nfs/dbraw/zinc/95/49/38/568954938.db2.gz AJWPVRTXBOIKPI-INIZCTEOSA-N 0 0 433.487 2.937 50 0 IFAARN Cc1cccc(-c2c3c(c4n2CCO[C@@H]4c2ccc4c(c2)OCO4)n(C)c(=O)n(C)c3=O)c1 ZINC000064788208 568956624 /nfs/dbraw/zinc/95/66/24/568956624.db2.gz CDHWGXQQVLBJTF-HSZRJFAPSA-N 0 0 445.475 2.862 50 0 IFAARN COc1ccc([C@H]2OCCn3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000064788206 568956660 /nfs/dbraw/zinc/95/66/60/568956660.db2.gz SJQMXLOBOWTYNV-HSZRJFAPSA-N 0 0 447.491 2.848 50 0 IFAARN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccs2)C1 ZINC000036146131 568962090 /nfs/dbraw/zinc/96/20/90/568962090.db2.gz YYHFDEZSRGXYPK-INIZCTEOSA-N 0 0 437.587 2.856 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)Nc1cccc(F)c1 ZINC000064817617 568964948 /nfs/dbraw/zinc/96/49/48/568964948.db2.gz STSBFEBOUPMALO-UHFFFAOYSA-N 0 0 449.486 2.709 50 0 IFAARN COCCNC(=O)[C@@]1(C)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccc(Cl)cc1 ZINC000064816318 568965073 /nfs/dbraw/zinc/96/50/73/568965073.db2.gz MZKIJOQWYUWHBU-OAQYLSRUSA-N 0 0 428.876 2.978 50 0 IFAARN COCCNC(=O)[C@]1(C)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccc(OC)cc1 ZINC000064816337 568965100 /nfs/dbraw/zinc/96/51/00/568965100.db2.gz MPYHVKLVBFCHKW-QFIPXVFZSA-N 0 0 440.525 2.802 50 0 IFAARN COCCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COC(C)(C)C ZINC000036156783 568965677 /nfs/dbraw/zinc/96/56/77/568965677.db2.gz HSHGOIMHYPGDHH-HNNXBMFYSA-N 0 0 437.606 2.878 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2C)cn1C ZINC000064818930 568965685 /nfs/dbraw/zinc/96/56/85/568965685.db2.gz VRMUKKPFJVUCKN-MRXNPFEDSA-N 0 0 439.921 2.565 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(CC)c2cccc(C)c2)cn1C ZINC000064819010 568965886 /nfs/dbraw/zinc/96/58/86/568965886.db2.gz TXLQTJXUZCEUGA-LJQANCHMSA-N 0 0 447.557 2.716 50 0 IFAARN Cc1ccc(-c2noc(C3CCN(C(=O)CNS(=O)(=O)c4ccccc4)CC3)n2)cc1 ZINC000064818217 568966387 /nfs/dbraw/zinc/96/63/87/568966387.db2.gz HCDWARLYBJRJGN-UHFFFAOYSA-N 0 0 440.525 2.730 50 0 IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COc1ccccc1C ZINC000036159556 568967190 /nfs/dbraw/zinc/96/71/90/568967190.db2.gz XBMRTTPXVJTCPB-MRXNPFEDSA-N 0 0 443.569 2.670 50 0 IFAARN CCOC[C@@H](O)CN(CCOC)Cc1nc(=O)c2c(-c3ccc(OC)cc3)csc2[nH]1 ZINC000036206283 568972710 /nfs/dbraw/zinc/97/27/10/568972710.db2.gz VDROCCCDLZFDLC-INIZCTEOSA-N 0 0 447.557 2.506 50 0 IFAARN CCCC(=O)OC[C@@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CC1 ZINC000036205086 568972938 /nfs/dbraw/zinc/97/29/38/568972938.db2.gz GKUPANNAZHCMQZ-HIFRSBDPSA-N 0 0 433.574 2.778 50 0 IFAARN CCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc21 ZINC000064861668 568973820 /nfs/dbraw/zinc/97/38/20/568973820.db2.gz YRKAZUMPYHCXFE-UHFFFAOYSA-N 0 0 428.558 2.680 50 0 IFAARN CNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000064862402 568974025 /nfs/dbraw/zinc/97/40/25/568974025.db2.gz OEZJOMPNCKZTLE-UHFFFAOYSA-N 0 0 434.949 2.553 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000036210115 568974473 /nfs/dbraw/zinc/97/44/73/568974473.db2.gz OCMKJYMEVWIRQA-OAQYLSRUSA-N 0 0 429.561 2.701 50 0 IFAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC(C)C)CC1 ZINC000036211513 568975453 /nfs/dbraw/zinc/97/54/53/568975453.db2.gz CZTMINFCHBFOJT-ZHRRBRCNSA-N 0 0 445.560 2.713 50 0 IFAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036211095 568976988 /nfs/dbraw/zinc/97/69/88/568976988.db2.gz WWVHSHBJMZMUFC-VGSWGCGISA-N 0 0 431.577 2.993 50 0 IFAARN CCCNC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036211167 568977166 /nfs/dbraw/zinc/97/71/66/568977166.db2.gz CVZMIVQTTUXJCG-JOCHJYFZSA-N 0 0 437.540 2.872 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2nccnc21 ZINC000064874287 568978622 /nfs/dbraw/zinc/97/86/22/568978622.db2.gz WAGLLPOZCWYIFR-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(F)cc1 ZINC000036227391 568978664 /nfs/dbraw/zinc/97/86/64/568978664.db2.gz UCIDEWQQBDISCR-UHFFFAOYSA-N 0 0 441.322 2.777 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3nccnc32)cc1 ZINC000064887521 568978770 /nfs/dbraw/zinc/97/87/70/568978770.db2.gz FMHWRKIWSWMGEH-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN CC(C)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nccnc32)cc1 ZINC000064887530 568978837 /nfs/dbraw/zinc/97/88/37/568978837.db2.gz AXTOQEINUZSSJN-UHFFFAOYSA-N 0 0 447.470 2.903 50 0 IFAARN Cc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2nccnc21 ZINC000064887585 568978994 /nfs/dbraw/zinc/97/89/94/568978994.db2.gz MINSSSSLQQLUCA-UHFFFAOYSA-N 0 0 449.898 2.910 50 0 IFAARN COc1ccc(Cn2c(=O)c3nccnc3n(Cc3c(F)cccc3Cl)c2=O)cc1 ZINC000064887741 568979137 /nfs/dbraw/zinc/97/91/37/568979137.db2.gz PUJAMKZPHOLPBT-UHFFFAOYSA-N 0 0 426.835 2.851 50 0 IFAARN CN(Cc1ccccc1)C(=O)CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064888851 568979489 /nfs/dbraw/zinc/97/94/89/568979489.db2.gz WKSBPSZDXOHBMK-UHFFFAOYSA-N 0 0 426.542 2.870 50 0 IFAARN O=C(CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCCc1ccccc1 ZINC000064888876 568979661 /nfs/dbraw/zinc/97/96/61/568979661.db2.gz DIZWESZXZUOEDE-UHFFFAOYSA-N 0 0 440.569 2.960 50 0 IFAARN COc1ccc(CNC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000064888872 568979735 /nfs/dbraw/zinc/97/97/35/568979735.db2.gz HOJGKQSXNSTKQH-UHFFFAOYSA-N 0 0 442.541 2.536 50 0 IFAARN O=C(CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccc1Cl ZINC000064889156 568980263 /nfs/dbraw/zinc/98/02/63/568980263.db2.gz SSZXYZNVZWQXRA-UHFFFAOYSA-N 0 0 447.948 2.576 50 0 IFAARN CC(C)Cn1c2ccc(-c3noc([C@H]4CC(=O)N(c5ccccc5)C4)n3)cc2[nH]c(=O)c1=O ZINC000064890904 568980997 /nfs/dbraw/zinc/98/09/97/568980997.db2.gz MZINGORVNOBNCS-INIZCTEOSA-N 0 0 445.479 2.916 50 0 IFAARN CC(=O)Nc1ccc(Cc2nc(-c3ccc4c(c3)[nH]c(=O)c(=O)n4CC(C)C)no2)cc1 ZINC000064890895 568981003 /nfs/dbraw/zinc/98/10/03/568981003.db2.gz ZQNRZYDKSIMBCC-UHFFFAOYSA-N 0 0 433.468 2.945 50 0 IFAARN C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000064889477 568981021 /nfs/dbraw/zinc/98/10/21/568981021.db2.gz PBELSJKTCMNQMY-HNNXBMFYSA-N 0 0 435.484 2.674 50 0 IFAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000064891516 568982584 /nfs/dbraw/zinc/98/25/84/568982584.db2.gz QILFYIQYWCLKFO-UHFFFAOYSA-N 0 0 445.523 2.543 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)s1)N1CCCCC1 ZINC000064919743 568985220 /nfs/dbraw/zinc/98/52/20/568985220.db2.gz WCOHIEIFTRJTFG-UHFFFAOYSA-N 0 0 439.647 2.942 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC000036259067 568985234 /nfs/dbraw/zinc/98/52/34/568985234.db2.gz PBHSNPIOUJYMMW-UHFFFAOYSA-N 0 0 428.341 2.938 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1)OCC(=O)N2 ZINC000064920761 568985406 /nfs/dbraw/zinc/98/54/06/568985406.db2.gz OLDLNWBRCDTBLO-INIZCTEOSA-N 0 0 449.916 2.771 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1)OCC(=O)N2 ZINC000064920755 568985484 /nfs/dbraw/zinc/98/54/84/568985484.db2.gz JZNMERMODAUVDQ-MRXNPFEDSA-N 0 0 449.916 2.771 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(Cl)c1)OCC(=O)N2 ZINC000064920757 568985505 /nfs/dbraw/zinc/98/55/05/568985505.db2.gz JZNMERMODAUVDQ-INIZCTEOSA-N 0 0 449.916 2.771 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000064921260 568985578 /nfs/dbraw/zinc/98/55/78/568985578.db2.gz DUKLTWNRMGOHJZ-MRXNPFEDSA-N 0 0 449.916 2.771 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1F ZINC000064920894 568985612 /nfs/dbraw/zinc/98/56/12/568985612.db2.gz CIPWKVBECGCRKR-QGZVFWFLSA-N 0 0 447.488 2.565 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(C)n2C)c1 ZINC000064922603 568985984 /nfs/dbraw/zinc/98/59/84/568985984.db2.gz OIVJXBBIRUHGOK-UHFFFAOYSA-N 0 0 433.530 2.937 50 0 IFAARN Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1 ZINC000064925049 568986461 /nfs/dbraw/zinc/98/64/61/568986461.db2.gz BZALXDIKERTPTM-UHFFFAOYSA-N 0 0 442.470 2.965 50 0 IFAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)N(C)C4CCCCC4)CC3)cc2NC1=O ZINC000064921631 568986529 /nfs/dbraw/zinc/98/65/29/568986529.db2.gz YKBUPTGWQSKPDN-HNNXBMFYSA-N 0 0 449.573 2.598 50 0 IFAARN Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000064921611 568986660 /nfs/dbraw/zinc/98/66/60/568986660.db2.gz MXENZXOBOQKGLP-OAHLLOKOSA-N 0 0 443.525 2.754 50 0 IFAARN COc1ccccc1CNC(=O)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927630 568986835 /nfs/dbraw/zinc/98/68/35/568986835.db2.gz RXLVZMRNTXWTJH-UHFFFAOYSA-N 0 0 436.487 2.913 50 0 IFAARN COc1ccc(-n2nc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)ccc2=O)cc1 ZINC000064927173 568986993 /nfs/dbraw/zinc/98/69/93/568986993.db2.gz SQDRXSHAGHZORJ-UHFFFAOYSA-N 0 0 436.487 2.913 50 0 IFAARN Cn1c(=O)c(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc2cccnc21 ZINC000064926012 568986999 /nfs/dbraw/zinc/98/69/99/568986999.db2.gz JBELAJSOFDZTCB-UHFFFAOYSA-N 0 0 432.406 2.701 50 0 IFAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4cccc(F)c4)n3)C2)c1 ZINC000064928569 568987681 /nfs/dbraw/zinc/98/76/81/568987681.db2.gz ZMYUKEASTGNWIU-GOSISDBHSA-N 0 0 436.487 2.913 50 0 IFAARN Cc1ccc(CNC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccccc3)c2=O)cc1C ZINC000169681080 568991502 /nfs/dbraw/zinc/99/15/02/568991502.db2.gz DFIJUFHRDXCJEN-UHFFFAOYSA-N 0 0 439.537 2.891 50 0 IFAARN CCOc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Cl)cc3)ccc2=O)cc1 ZINC000064943128 568992404 /nfs/dbraw/zinc/99/24/04/568992404.db2.gz CGYKMUAYNCHXGZ-UHFFFAOYSA-N 0 0 447.900 2.767 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2nc3c4c(C)c(C)sc4ncn3c2=O)cc1 ZINC000064945519 568992958 /nfs/dbraw/zinc/99/29/58/568992958.db2.gz MEQJOEMHUJWGAU-UHFFFAOYSA-N 0 0 425.470 2.538 50 0 IFAARN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C)n2)cc1 ZINC000064946838 568993867 /nfs/dbraw/zinc/99/38/67/568993867.db2.gz ZYPOYIFHAZQCDF-UHFFFAOYSA-N 0 0 430.442 2.534 50 0 IFAARN O=C(CCc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)NCCc1ccccn1 ZINC000064947376 568995157 /nfs/dbraw/zinc/99/51/57/568995157.db2.gz LMTNRQUIOXCACX-UHFFFAOYSA-N 0 0 429.459 2.870 50 0 IFAARN O=C(NC[C@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036311091 568996819 /nfs/dbraw/zinc/99/68/19/568996819.db2.gz CINQYNNZIZNIII-RTWAWAEBSA-N 0 0 448.608 2.994 50 0 IFAARN O=C(NC[C@@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036311087 568996881 /nfs/dbraw/zinc/99/68/81/568996881.db2.gz CINQYNNZIZNIII-SFTDATJTSA-N 0 0 448.608 2.994 50 0 IFAARN COc1ccc(C2=C(C)C(=O)N(CC(=O)NCc3ccc(SC)cc3)S2(=O)=O)cc1 ZINC000064951845 568997059 /nfs/dbraw/zinc/99/70/59/568997059.db2.gz SKIVZJXQJZUUDN-UHFFFAOYSA-N 0 0 446.550 2.637 50 0 IFAARN COCC(=O)N(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036314360 568998339 /nfs/dbraw/zinc/99/83/39/568998339.db2.gz LYPFAYSINODFEA-IBGZPJMESA-N 0 0 429.517 2.641 50 0 IFAARN COCC(=O)N(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000036314361 568998369 /nfs/dbraw/zinc/99/83/69/568998369.db2.gz LYPFAYSINODFEA-LJQANCHMSA-N 0 0 429.517 2.641 50 0 IFAARN O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NCc1ccccc1F ZINC000064955553 568998590 /nfs/dbraw/zinc/99/85/90/568998590.db2.gz QDWNTJWZNUONGN-UHFFFAOYSA-N 0 0 427.505 2.576 50 0 IFAARN COc1ccccc1N1CCN(c2ncc(C(=O)N[C@H](C)c3ccccc3)c(=O)[nH]2)CC1 ZINC000036314052 568998939 /nfs/dbraw/zinc/99/89/39/568998939.db2.gz XVAVGIRFXBEKHG-QGZVFWFLSA-N 0 0 433.512 2.596 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)c1 ZINC000064958005 568999093 /nfs/dbraw/zinc/99/90/93/568999093.db2.gz BOPHDHHIFMKVBQ-CYBMUJFWSA-N 0 0 446.451 2.841 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc1 ZINC000064957660 568999100 /nfs/dbraw/zinc/99/91/00/568999100.db2.gz GQRNEJFVLDXWII-UHFFFAOYSA-N 0 0 448.545 2.680 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4ccc(OC)cc4s3)C2)c1 ZINC000064957783 568999117 /nfs/dbraw/zinc/99/91/17/568999117.db2.gz HLZRVNDGFIKFER-CYBMUJFWSA-N 0 0 449.558 2.561 50 0 IFAARN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 ZINC000169684190 569000029 /nfs/dbraw/zinc/00/00/29/569000029.db2.gz NMPHAIYCHNJBMA-BEFAXECRSA-N 0 0 443.525 2.815 50 0 IFAARN O=C(Nc1ccc(NC(=O)[C@@H]2Nc3ccc(Cl)cc3S(=O)(=O)N2)cc1)c1ccco1 ZINC000064960097 569000162 /nfs/dbraw/zinc/00/01/62/569000162.db2.gz SMGPTYZDEACIHE-QGZVFWFLSA-N 0 0 446.872 2.854 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(Cl)cc2)C(=O)N3)cc1 ZINC000064965714 569000862 /nfs/dbraw/zinc/00/08/62/569000862.db2.gz SXGAYGSZIDQYOF-UHFFFAOYSA-N 0 0 445.928 2.643 50 0 IFAARN CCn1c2c(nc(-c3ccc(OC)cc3OC)nc2C(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000064965908 569001004 /nfs/dbraw/zinc/00/10/04/569001004.db2.gz FYWTYNJMRAYMMA-UHFFFAOYSA-N 0 0 437.431 2.524 50 0 IFAARN Cc1nn(-c2ccc3nnc(C)n3n2)c(C)c1CCC(=O)NCCSCc1ccco1 ZINC000064977663 569077631 /nfs/dbraw/zinc/07/76/31/569077631.db2.gz BESWHIUINACTQE-UHFFFAOYSA-N 0 0 439.545 2.810 50 0 IFAARN CN1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341812 569079025 /nfs/dbraw/zinc/07/90/25/569079025.db2.gz ZWWBGJJKCCSDAZ-HXUWFJFHSA-N 0 0 440.931 2.994 50 0 IFAARN CC(C)CNC(=O)[C@H](NC(=O)CC(C)C)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036347153 569081524 /nfs/dbraw/zinc/08/15/24/569081524.db2.gz HDOKZKFFOXNFPZ-JOCHJYFZSA-N 0 0 445.560 2.571 50 0 IFAARN CCOC(=O)[C@@H](C)NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2 ZINC000064990813 569083456 /nfs/dbraw/zinc/08/34/56/569083456.db2.gz VTLGPSFHMPNNNN-OAHLLOKOSA-N 0 0 425.485 2.649 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000064988506 569083690 /nfs/dbraw/zinc/08/36/90/569083690.db2.gz FEUDDXWTVOPGMP-IBGZPJMESA-N 0 0 432.498 2.728 50 0 IFAARN COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 ZINC000064988606 569083691 /nfs/dbraw/zinc/08/36/91/569083691.db2.gz YAYZSJLSRBMVKD-LJQANCHMSA-N 0 0 432.498 2.646 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 ZINC000036352724 569083944 /nfs/dbraw/zinc/08/39/44/569083944.db2.gz GUVAERQISXALRH-LBPRGKRZSA-N 0 0 439.896 2.721 50 0 IFAARN CCc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000064991642 569084737 /nfs/dbraw/zinc/08/47/37/569084737.db2.gz KKKPMWIOEOKELX-UHFFFAOYSA-N 0 0 432.527 2.840 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccccc3)s2)cc1Cl ZINC000064991694 569084738 /nfs/dbraw/zinc/08/47/38/569084738.db2.gz YFYFBBSJFYBHIJ-UHFFFAOYSA-N 0 0 438.918 2.931 50 0 IFAARN O=C(Nc1ccccc1)c1nnc(CNS(=O)(=O)c2cccc3cccnc32)s1 ZINC000064991678 569084749 /nfs/dbraw/zinc/08/47/49/569084749.db2.gz JUHBQIRVBZZCEK-UHFFFAOYSA-N 0 0 425.495 2.817 50 0 IFAARN CN(C)[C@H](CNC(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1)c1ccc(Cl)cc1 ZINC000036358201 569085005 /nfs/dbraw/zinc/08/50/05/569085005.db2.gz UCSVBEYUXMUYIG-GOSISDBHSA-N 0 0 434.945 2.873 50 0 IFAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ncn(C)c(=O)c32)cc1 ZINC000064998320 569085098 /nfs/dbraw/zinc/08/50/98/569085098.db2.gz XQFYELKETVABQL-UHFFFAOYSA-N 0 0 446.486 2.529 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)n1 ZINC000036360303 569086248 /nfs/dbraw/zinc/08/62/48/569086248.db2.gz BMULBYQKVNICBZ-UHFFFAOYSA-N 0 0 438.465 2.852 50 0 IFAARN Cc1ccc(-c2ccc(N3CCC4(CC3)OCCO4)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009183 569087879 /nfs/dbraw/zinc/08/78/79/569087879.db2.gz KIEVCTNORLQJDL-UHFFFAOYSA-N 0 0 444.557 2.580 50 0 IFAARN CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)N3CCCC3)c1)NC(=O)CCC2=O ZINC000065020729 569088579 /nfs/dbraw/zinc/08/85/79/569088579.db2.gz NEWWSQMNBAIOTO-UHFFFAOYSA-N 0 0 446.529 2.668 50 0 IFAARN CCc1ccccc1NS(=O)(=O)c1cc2c(cc1C)N(Cc1noc(C)n1)C(=O)CO2 ZINC000065022579 569088999 /nfs/dbraw/zinc/08/89/99/569088999.db2.gz PITAJFSKINNYKO-UHFFFAOYSA-N 0 0 442.497 2.975 50 0 IFAARN Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1 ZINC000065022031 569089081 /nfs/dbraw/zinc/08/90/81/569089081.db2.gz KJCMHANLDQOPIT-UHFFFAOYSA-N 0 0 445.566 2.948 50 0 IFAARN Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2sc1=O ZINC000065022086 569089142 /nfs/dbraw/zinc/08/91/42/569089142.db2.gz HEEAYRQDVWCNBL-UHFFFAOYSA-N 0 0 431.539 2.639 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(c3nc4cccnc4s3)CC2)cc1 ZINC000065030655 569091382 /nfs/dbraw/zinc/09/13/82/569091382.db2.gz JPYBIQOYHISIBF-UHFFFAOYSA-N 0 0 431.543 2.551 50 0 IFAARN O=C(CN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1)NC1CC1 ZINC000036384568 569092747 /nfs/dbraw/zinc/09/27/47/569092747.db2.gz YKYWVNDOIJAQBM-UHFFFAOYSA-N 0 0 449.580 2.696 50 0 IFAARN CN(C(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCCc2ccccc21 ZINC000036385518 569093035 /nfs/dbraw/zinc/09/30/35/569093035.db2.gz UZULHUAHTPYPNA-QHCPKHFHSA-N 0 0 441.597 2.670 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)NCCc1ccc(Cl)cc1 ZINC000169752526 569093251 /nfs/dbraw/zinc/09/32/51/569093251.db2.gz VUGJNFIMKSJXQT-UHFFFAOYSA-N 0 0 436.899 2.668 50 0 IFAARN COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC5CC5)CC4)c3CO2)cc1 ZINC000169758889 569093965 /nfs/dbraw/zinc/09/39/65/569093965.db2.gz NAMKTCBRKKUAQI-NRFANRHFSA-N 0 0 438.528 2.542 50 0 IFAARN O=C(CN1C2=C(C(=O)OC2)[C@H](c2ccccc2Cl)NC1=O)Nc1ccc2c(c1)OCO2 ZINC000169758054 569094287 /nfs/dbraw/zinc/09/42/87/569094287.db2.gz WSNYUTHXTLLGOO-IBGZPJMESA-N 0 0 441.827 2.585 50 0 IFAARN COc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccccc3Cl)NC2=O)cc1 ZINC000169758024 569094296 /nfs/dbraw/zinc/09/42/96/569094296.db2.gz ZZEMBFMTPVYYNH-IBGZPJMESA-N 0 0 427.844 2.865 50 0 IFAARN O=C(NC1CC1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 ZINC000169758633 569094459 /nfs/dbraw/zinc/09/44/59/569094459.db2.gz MCFWFATXFNPZMS-LJQANCHMSA-N 0 0 428.920 2.939 50 0 IFAARN CCOc1ccc(CCNC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1OCC ZINC000169760083 569094588 /nfs/dbraw/zinc/09/45/88/569094588.db2.gz LWINWDAIBQGVHR-UHFFFAOYSA-N 0 0 438.528 2.531 50 0 IFAARN CCOc1ccc([C@@H]2NC(=O)N(CC(=O)NCCC3=CCCCC3)C3=C2C(=O)OC3)cc1 ZINC000169760795 569094708 /nfs/dbraw/zinc/09/47/08/569094708.db2.gz PHMIZOZYTWXHDP-QFIPXVFZSA-N 0 0 439.512 2.969 50 0 IFAARN CCn1c(=O)n(CC(=O)Nc2cccc(Cl)c2)c(=O)c2cnc(-c3ccccc3)nc21 ZINC000065057238 569095179 /nfs/dbraw/zinc/09/51/79/569095179.db2.gz GHMWIWNLQYHISE-UHFFFAOYSA-N 0 0 435.871 2.932 50 0 IFAARN CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)Nc1nnc(C)s1 ZINC000006878497 569096312 /nfs/dbraw/zinc/09/63/12/569096312.db2.gz AHOADOHJQCRKFT-UHFFFAOYSA-N 0 0 445.574 2.987 50 0 IFAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1nnc(C)s1 ZINC000006878499 569096340 /nfs/dbraw/zinc/09/63/40/569096340.db2.gz KCVPVFXBTXLQQK-UHFFFAOYSA-N 0 0 431.547 2.678 50 0 IFAARN CCOc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000065061364 569096368 /nfs/dbraw/zinc/09/63/68/569096368.db2.gz JQDOUJQJQXCESW-UHFFFAOYSA-N 0 0 435.546 2.797 50 0 IFAARN CCn1c(-c2ccc(Cl)cc2)nn(CN2CCCN3CCN(CC)C(=O)[C@H]23)c1=S ZINC000036390378 569096535 /nfs/dbraw/zinc/09/65/35/569096535.db2.gz JJJZDZUTWNRUOI-SFHVURJKSA-N 0 0 434.997 2.908 50 0 IFAARN CCOC(=O)C1=C(CN2CCO[C@H](c3ccc(F)cc3)C2)NC(=O)N[C@H]1c1ccco1 ZINC000036390302 569096547 /nfs/dbraw/zinc/09/65/47/569096547.db2.gz NJFLXUQZVZHYAB-ICSRJNTNSA-N 0 0 429.448 2.663 50 0 IFAARN Cc1ccnc(-n2c(S[C@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)c1 ZINC000036389865 569096644 /nfs/dbraw/zinc/09/66/44/569096644.db2.gz LQBCVXXQZCIHTE-CYBMUJFWSA-N 0 0 434.529 2.776 50 0 IFAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)N(C)c2cccc(C)c2)C2=C1C(=O)OC2 ZINC000169764781 569096663 /nfs/dbraw/zinc/09/66/63/569096663.db2.gz ZGAIQJZFNBEARY-QFIPXVFZSA-N 0 0 435.480 2.934 50 0 IFAARN O=C(NCc1ccccc1Cn1cccn1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000036392020 569098194 /nfs/dbraw/zinc/09/81/94/569098194.db2.gz WDGAYMXZRVOJAE-RTWAWAEBSA-N 0 0 438.528 2.530 50 0 IFAARN O=C(COc1ccccc1Cl)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 ZINC000036394945 569098710 /nfs/dbraw/zinc/09/87/10/569098710.db2.gz JITOCNYOHMRWCR-QGZVFWFLSA-N 0 0 432.904 2.709 50 0 IFAARN COc1ccc(-c2n[nH]cc2[C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc1 ZINC000036394839 569098734 /nfs/dbraw/zinc/09/87/34/569098734.db2.gz WHWAVJZOAADSML-HXUWFJFHSA-N 0 0 431.456 2.693 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)N1CCC(N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000036396023 569098798 /nfs/dbraw/zinc/09/87/98/569098798.db2.gz LWVYTAMMTLVINX-KBPBESRZSA-N 0 0 447.395 2.720 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccc(Br)cc1F ZINC000065075550 569099661 /nfs/dbraw/zinc/09/96/61/569099661.db2.gz QFUJIMOGMNXIKH-UHFFFAOYSA-N 0 0 449.284 2.856 50 0 IFAARN CCOCCCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1 ZINC000065075466 569099674 /nfs/dbraw/zinc/09/96/74/569099674.db2.gz LILVLKRNDKGPON-UHFFFAOYSA-N 0 0 440.523 2.813 50 0 IFAARN O=C(NCCn1nnc2cc(C(=O)NC3CCCC3)ccc21)Nc1ccc2c(c1)OCO2 ZINC000065075721 569099726 /nfs/dbraw/zinc/09/97/26/569099726.db2.gz GPKSTQYNCSHJBR-UHFFFAOYSA-N 0 0 436.472 2.654 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)NCc2ccc(Cl)cc2)n1 ZINC000065076678 569099848 /nfs/dbraw/zinc/09/98/48/569099848.db2.gz UIGZWTSHYUPCTM-HNNXBMFYSA-N 0 0 436.899 2.805 50 0 IFAARN COc1cccc(CNC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000065077428 569100334 /nfs/dbraw/zinc/10/03/34/569100334.db2.gz HWAXBIYAKJXXMN-CQSZACIVSA-N 0 0 448.566 2.998 50 0 IFAARN COc1ccccc1CNC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077141 569100379 /nfs/dbraw/zinc/10/03/79/569100379.db2.gz WCCOEDHUOUOSMV-UHFFFAOYSA-N 0 0 434.539 2.610 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)Nc1ccc2c(c1)OCCO2 ZINC000065077155 569100383 /nfs/dbraw/zinc/10/03/83/569100383.db2.gz SCPKBQIYQPDDSE-UHFFFAOYSA-N 0 0 448.522 2.695 50 0 IFAARN COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c1 ZINC000065078322 569100481 /nfs/dbraw/zinc/10/04/81/569100481.db2.gz VRWRAQDTXCKSOJ-AWEZNQCLSA-N 0 0 448.566 2.856 50 0 IFAARN COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc1 ZINC000065078225 569100494 /nfs/dbraw/zinc/10/04/94/569100494.db2.gz LJBTUCUSIYNQNL-AWEZNQCLSA-N 0 0 448.566 2.856 50 0 IFAARN COc1ccccc1CNC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)CS2 ZINC000065078317 569100535 /nfs/dbraw/zinc/10/05/35/569100535.db2.gz XNYCKCDBHIOVHA-AWEZNQCLSA-N 0 0 448.566 2.856 50 0 IFAARN C[C@H]1CSc2ccc(S(=O)(=O)CCC(=O)NCCc3ccccc3)cc2NC1=O ZINC000065078285 569100551 /nfs/dbraw/zinc/10/05/51/569100551.db2.gz FAWQLRSFMCGPRR-HNNXBMFYSA-N 0 0 432.567 2.890 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3CC(=O)NC2CCCC2)CC1 ZINC000065078721 569100678 /nfs/dbraw/zinc/10/06/78/569100678.db2.gz PBOBOTGNPIZKJN-UHFFFAOYSA-N 0 0 447.601 2.835 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000036397949 569100968 /nfs/dbraw/zinc/10/09/68/569100968.db2.gz STDRRONKXVDPJR-WOJBJXKFSA-N 0 0 441.528 2.843 50 0 IFAARN CCc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000036398685 569101436 /nfs/dbraw/zinc/10/14/36/569101436.db2.gz GGUYPHFUOINORL-UHFFFAOYSA-N 0 0 427.570 2.683 50 0 IFAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1nc(-c2ccccc2)cs1 ZINC000169772685 569101540 /nfs/dbraw/zinc/10/15/40/569101540.db2.gz PSPYOWITSBFIEE-GOSISDBHSA-N 0 0 434.521 3.000 50 0 IFAARN O=C(NCc1ccc(Cl)cc1)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 ZINC000169773443 569101707 /nfs/dbraw/zinc/10/17/07/569101707.db2.gz RLFBOXUOQNPKIA-UHFFFAOYSA-N 0 0 427.888 2.871 50 0 IFAARN O=C(NCc1ccccn1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000169774481 569102048 /nfs/dbraw/zinc/10/20/48/569102048.db2.gz DXUWLRVVMKBNJG-QFIPXVFZSA-N 0 0 445.523 2.718 50 0 IFAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)[C@@H](C)Oc4ccccc4)ccn3n2)c1 ZINC000169777072 569102244 /nfs/dbraw/zinc/10/22/44/569102244.db2.gz MJZVTIKMLWQWAY-QGZVFWFLSA-N 0 0 432.480 2.755 50 0 IFAARN CCOc1ccc(CC(=O)NCCn2ccn3nc(-c4cccc(OC)c4)cc3c2=O)cc1 ZINC000169777050 569102273 /nfs/dbraw/zinc/10/22/73/569102273.db2.gz KLJQNUVJIXXSRO-UHFFFAOYSA-N 0 0 446.507 2.929 50 0 IFAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(NC(C)=O)c4)ccn3n2)c1 ZINC000169777057 569102286 /nfs/dbraw/zinc/10/22/86/569102286.db2.gz OCGMWQJEMJCHPT-UHFFFAOYSA-N 0 0 445.479 2.560 50 0 IFAARN COc1cccc(CC(=O)NCCn2ccn3nc(-c4cccc(OC)c4)cc3c2=O)c1 ZINC000169777053 569102322 /nfs/dbraw/zinc/10/23/22/569102322.db2.gz RDLLHCYOODKIJK-UHFFFAOYSA-N 0 0 432.480 2.539 50 0 IFAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)COc4cccc(C)c4)ccn3n2)c1 ZINC000169781384 569103419 /nfs/dbraw/zinc/10/34/19/569103419.db2.gz LHQCANHBWJDHQE-UHFFFAOYSA-N 0 0 432.480 2.675 50 0 IFAARN O=C(c1nnc(-c2csc(S(=O)(=O)NCc3ccc(F)cc3)c2)o1)N1CCCC1 ZINC000065098834 569104322 /nfs/dbraw/zinc/10/43/22/569104322.db2.gz VPLYZLDOWGYAQV-UHFFFAOYSA-N 0 0 436.490 2.652 50 0 IFAARN CCN1C(=O)COc2ccc(-c3noc(CNS(=O)(=O)c4ccc(Cl)cc4)n3)cc21 ZINC000065098277 569104743 /nfs/dbraw/zinc/10/47/43/569104743.db2.gz NKRPVEKKFCWFLW-UHFFFAOYSA-N 0 0 448.888 2.614 50 0 IFAARN O=C(c1nnc(-c2csc(S(=O)(=O)NCc3cccs3)c2)o1)N1CCCCC1 ZINC000065098990 569105069 /nfs/dbraw/zinc/10/50/69/569105069.db2.gz XFTKGTSGTICCQX-UHFFFAOYSA-N 0 0 438.556 2.964 50 0 IFAARN CC(C)OCCCNS(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1 ZINC000065099000 569105096 /nfs/dbraw/zinc/10/50/96/569105096.db2.gz GDYVAGJMLZJWKP-UHFFFAOYSA-N 0 0 442.563 2.518 50 0 IFAARN CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1nc(-c2cccc(C)c2)no1 ZINC000065099672 569105271 /nfs/dbraw/zinc/10/52/71/569105271.db2.gz ZQVMJVAOBPUUSH-OAHLLOKOSA-N 0 0 428.518 2.711 50 0 IFAARN CCc1ccccc1NC(=O)Cn1nc2ccc(C(=O)NCc3ccc(C)cc3)cn2c1=O ZINC000065100326 569105490 /nfs/dbraw/zinc/10/54/90/569105490.db2.gz GIAVKNBWEWANAZ-UHFFFAOYSA-N 0 0 443.507 2.936 50 0 IFAARN CCSc1nc2c(s1)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)NC1CCCC1 ZINC000065100723 569105579 /nfs/dbraw/zinc/10/55/79/569105579.db2.gz VSSPPSDLAYGLAF-UHFFFAOYSA-N 0 0 430.555 2.780 50 0 IFAARN CSc1nc2c(s1)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)NC1CCCCC1 ZINC000065100450 569105589 /nfs/dbraw/zinc/10/55/89/569105589.db2.gz VIGTXNNTNUSZSX-UHFFFAOYSA-N 0 0 430.555 2.780 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2=O)c(OC)c1 ZINC000036416315 569105727 /nfs/dbraw/zinc/10/57/27/569105727.db2.gz QLKKGIJORADTNE-VVLHAWIVSA-N 0 0 432.517 2.778 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NCC(C)C)c2=O)cc1 ZINC000065101646 569105942 /nfs/dbraw/zinc/10/59/42/569105942.db2.gz AHLIRXFCYFCYRK-UHFFFAOYSA-N 0 0 436.512 2.749 50 0 IFAARN COc1ccccc1CNS(=O)(=O)c1ccc2onc(C(=O)N3CCCCC3)c2c1 ZINC000065115314 569106699 /nfs/dbraw/zinc/10/66/99/569106699.db2.gz KVLRIUSUKIKAGM-UHFFFAOYSA-N 0 0 429.498 2.941 50 0 IFAARN COc1ccc(CNS(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)cc1OC ZINC000065115228 569106720 /nfs/dbraw/zinc/10/67/20/569106720.db2.gz VNDASFNFIGYLKA-UHFFFAOYSA-N 0 0 445.497 2.560 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)c2nc(CCS(=O)(=O)c3ccccc3)no2)cc1 ZINC000065117273 569107511 /nfs/dbraw/zinc/10/75/11/569107511.db2.gz COSGQRLRFMWKCI-UHFFFAOYSA-N 0 0 429.498 2.803 50 0 IFAARN Cc1cc(NC(=O)c2ccc(CN3CCN(C)C(=O)C3=O)cc2)ccc1Br ZINC000065129689 569108623 /nfs/dbraw/zinc/10/86/23/569108623.db2.gz WEKVDCYXDOFOKB-UHFFFAOYSA-N 0 0 430.302 2.810 50 0 IFAARN Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)c1 ZINC000169795474 569108669 /nfs/dbraw/zinc/10/86/69/569108669.db2.gz VGRCWJOEFPUCRH-QAPCUYQASA-N 0 0 443.525 2.815 50 0 IFAARN CCc1nnc(-c2cccnc2N2CCN(C(=O)COc3ccc(F)c(F)c3)CC2)o1 ZINC000065117877 569108780 /nfs/dbraw/zinc/10/87/80/569108780.db2.gz OKMFAZMOELVKPC-UHFFFAOYSA-N 0 0 429.427 2.700 50 0 IFAARN Cc1nnc(-c2cccnc2N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)o1 ZINC000065117854 569108825 /nfs/dbraw/zinc/10/88/25/569108825.db2.gz PHCCVJMWULOKIR-UHFFFAOYSA-N 0 0 439.541 2.830 50 0 IFAARN CCCc1nnc(-c2cccnc2N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)o1 ZINC000065117925 569108877 /nfs/dbraw/zinc/10/88/77/569108877.db2.gz GSYUMKWSUXNEJN-UHFFFAOYSA-N 0 0 443.529 2.604 50 0 IFAARN COc1cccc(NC(=O)CSc2ccc(N3CCC[C@H](C(=O)NC4CC4)C3)nn2)c1 ZINC000065131467 569109381 /nfs/dbraw/zinc/10/93/81/569109381.db2.gz JPMVAUGXDRWADZ-HNNXBMFYSA-N 0 0 441.557 2.711 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1)Nc1ccccc1F ZINC000065131631 569109523 /nfs/dbraw/zinc/10/95/23/569109523.db2.gz HMGXUCLQHSXQAV-AWEZNQCLSA-N 0 0 429.521 2.842 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)Cn1ncc2c(c1=O)N(CC(C)C)C(=O)CS2 ZINC000065132863 569109918 /nfs/dbraw/zinc/10/99/18/569109918.db2.gz GPEGXYFTHOXUNT-UHFFFAOYSA-N 0 0 436.921 2.639 50 0 IFAARN O=C(Cn1nc(N2CCOCC2)c2ccccc2c1=O)Nc1ccc(Br)cc1 ZINC000065134293 569110159 /nfs/dbraw/zinc/11/01/59/569110159.db2.gz YMDPQRATOJOFJJ-UHFFFAOYSA-N 0 0 443.301 2.634 50 0 IFAARN CC(C)n1c2ccc(S(=O)(=O)N3CCCC3)cc2n(CC(=O)NC2CCCCC2)c1=O ZINC000065138057 569110488 /nfs/dbraw/zinc/11/04/88/569110488.db2.gz PEUIQEABNKZSTO-UHFFFAOYSA-N 0 0 448.589 2.617 50 0 IFAARN Cc1nn(Cc2ccc(C(=O)NCc3ccccc3)cc2)c(C)c1S(=O)(=O)N(C)C ZINC000065138381 569110713 /nfs/dbraw/zinc/11/07/13/569110713.db2.gz VJPKRWZRKUNJPY-UHFFFAOYSA-N 0 0 426.542 2.729 50 0 IFAARN CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1)c1ccc(C)cc1 ZINC000036448863 569110884 /nfs/dbraw/zinc/11/08/84/569110884.db2.gz IHZQEUTYVHXITF-HSZRJFAPSA-N 0 0 436.556 2.654 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1cc2ccccc2o1 ZINC000036450892 569111200 /nfs/dbraw/zinc/11/12/00/569111200.db2.gz ILTPGDMTGGGGPU-UZUQRXQVSA-N 0 0 449.507 2.594 50 0 IFAARN C[C@H](NC(=O)CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1cc2ccccc2o1 ZINC000036450889 569111209 /nfs/dbraw/zinc/11/12/09/569111209.db2.gz ILTPGDMTGGGGPU-GAJHUEQPSA-N 0 0 449.507 2.594 50 0 IFAARN O=C(Cn1nc2c(N3CCc4ccccc4C3)nccn2c1=O)Nc1cccc(Cl)c1 ZINC000065151577 569111335 /nfs/dbraw/zinc/11/13/35/569111335.db2.gz IDFKIBQYDDCQGE-UHFFFAOYSA-N 0 0 434.887 2.746 50 0 IFAARN COc1cc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)cc(OC)c1 ZINC000065150820 569111488 /nfs/dbraw/zinc/11/14/88/569111488.db2.gz QKLGGTMURLOCEJ-UHFFFAOYSA-N 0 0 449.467 2.956 50 0 IFAARN COc1cccc(CNC(=O)Cn2nc3c(Oc4ccc(Cl)cc4)nccn3c2=O)c1 ZINC000065150907 569111639 /nfs/dbraw/zinc/11/16/39/569111639.db2.gz PYAQMHNFDDNYBQ-UHFFFAOYSA-N 0 0 439.859 2.662 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CN1c2ccccc2[C@](O)(c2cccc(F)c2)C1=O ZINC000065155282 569112507 /nfs/dbraw/zinc/11/25/07/569112507.db2.gz NYOCIMQHQKLICG-XMMPIXPASA-N 0 0 434.423 2.834 50 0 IFAARN COCCN1C(=O)Cc2ccccc2[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000065170315 569112665 /nfs/dbraw/zinc/11/26/65/569112665.db2.gz AABRJJFHZBWKKO-QFIPXVFZSA-N 0 0 427.932 2.761 50 0 IFAARN COc1cc(NC(=O)Cn2c(C)nc3c(-c4ccncc4)nsc3c2=O)cc(OC)c1 ZINC000065171041 569112777 /nfs/dbraw/zinc/11/27/77/569112777.db2.gz IYUATAKUZWBEIH-UHFFFAOYSA-N 0 0 437.481 2.879 50 0 IFAARN O=C(COc1ccccc1)N1CCC[C@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000065179134 569113457 /nfs/dbraw/zinc/11/34/57/569113457.db2.gz WRVYHPHFBWLMOK-FQEVSTJZSA-N 0 0 438.524 2.855 50 0 IFAARN COc1ccc(-c2noc(-c3ccc(SCC(=O)N4CCN(C)CC4)nc3)n2)cc1 ZINC000065185868 569114583 /nfs/dbraw/zinc/11/45/83/569114583.db2.gz JFGUGWJADWFIDU-UHFFFAOYSA-N 0 0 425.514 2.673 50 0 IFAARN COc1ccc(-c2noc(Cn3ccn(-c4ccc(Cl)cc4)c(=O)c3=O)n2)cc1OC ZINC000065198515 569114934 /nfs/dbraw/zinc/11/49/34/569114934.db2.gz ZPXVBFGIIINZMH-UHFFFAOYSA-N 0 0 440.843 2.768 50 0 IFAARN CCC(=O)N1CCc2cc(N3C[C@H](C(=O)Nc4ccc5c(c4)OCCO5)CC3=O)ccc21 ZINC000065195398 569115433 /nfs/dbraw/zinc/11/54/33/569115433.db2.gz QMDDHJLKFSELMY-MRXNPFEDSA-N 0 0 435.480 2.749 50 0 IFAARN CCC(=O)N1CCc2sc(S(=O)(=O)N3CCN(c4ccc(C)cc4)CC3)cc2C1 ZINC000065196193 569115523 /nfs/dbraw/zinc/11/55/23/569115523.db2.gz XBJSQFWHLSPYPP-UHFFFAOYSA-N 0 0 433.599 2.862 50 0 IFAARN Cn1cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)ccc1=O ZINC000065196430 569115721 /nfs/dbraw/zinc/11/57/21/569115721.db2.gz JWABIIZXUJSRCR-UHFFFAOYSA-N 0 0 434.905 2.657 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)cc1 ZINC000065196621 569115777 /nfs/dbraw/zinc/11/57/77/569115777.db2.gz RXDAUCVVKXCULT-UHFFFAOYSA-N 0 0 431.452 2.682 50 0 IFAARN CCN(Cc1ccccc1)C(=O)Cn1nc2cc(-c3ccc(OC)cc3)nc(C)n2c1=O ZINC000065196690 569115810 /nfs/dbraw/zinc/11/58/10/569115810.db2.gz ZKWIMLYNTHHVLI-UHFFFAOYSA-N 0 0 431.496 2.924 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)Nc4ccc(F)cc4C)cc3c(=O)n(C)c2=O)cc1 ZINC000065197121 569115934 /nfs/dbraw/zinc/11/59/34/569115934.db2.gz FPZOYXCCSIIGAH-UHFFFAOYSA-N 0 0 434.427 2.793 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)NCc1cc(F)ccc1F ZINC000065212420 569116772 /nfs/dbraw/zinc/11/67/72/569116772.db2.gz IKBUPFYIGYWIJW-UHFFFAOYSA-N 0 0 447.463 2.552 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3cccs3)c2=O)cc1 ZINC000065212593 569116784 /nfs/dbraw/zinc/11/67/84/569116784.db2.gz VQHLJOJFNNJLIN-UHFFFAOYSA-N 0 0 431.539 2.644 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)N(C)Cc1ccccc1 ZINC000065212464 569116790 /nfs/dbraw/zinc/11/67/90/569116790.db2.gz CYKBIMJXCBNEIZ-UHFFFAOYSA-N 0 0 425.510 2.616 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)NCc1ccc(Cl)cc1 ZINC000065212439 569116793 /nfs/dbraw/zinc/11/67/93/569116793.db2.gz AFFKQWVHMIXDQE-UHFFFAOYSA-N 0 0 445.928 2.927 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC(C)(C)CC)CC1 ZINC000007006653 569117644 /nfs/dbraw/zinc/11/76/44/569117644.db2.gz NDTLTTHZNGIPHK-UHFFFAOYSA-N 0 0 427.567 2.514 50 0 IFAARN O=C(N1C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H](C1)O2)C12CC3CC(CC(C3)C1)C2 ZINC000065225133 569117750 /nfs/dbraw/zinc/11/77/50/569117750.db2.gz DAOAFCWCNMVSHH-INJWLFRUSA-N 0 0 448.560 2.642 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3cnc4nc(C)c(C)nc4c3)C2)CC1 ZINC000065227234 569118047 /nfs/dbraw/zinc/11/80/47/569118047.db2.gz CCRLIGSKJGZAPT-GOSISDBHSA-N 0 0 425.533 2.660 50 0 IFAARN COc1ccc(C(=O)Nc2nccnc2C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000065228605 569118321 /nfs/dbraw/zinc/11/83/21/569118321.db2.gz FSGPZRSVHUIHTD-UHFFFAOYSA-N 0 0 435.459 2.839 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCN(C)CC1 ZINC000036569532 569118741 /nfs/dbraw/zinc/11/87/41/569118741.db2.gz HTCWSXRPGXUFAC-LJQANCHMSA-N 0 0 425.558 2.615 50 0 IFAARN COc1ccc(CN2CC(=O)N(c3ccc(C(C)C)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000036597109 569118763 /nfs/dbraw/zinc/11/87/63/569118763.db2.gz KFAIVIJYKNHWBC-FGZHOGPDSA-N 0 0 428.554 2.833 50 0 IFAARN C=C1C(N2CCCN(C(=O)c3ccncc3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239374 569120512 /nfs/dbraw/zinc/12/05/12/569120512.db2.gz KAMQEBSLDZWYAZ-UHFFFAOYSA-N 0 0 428.489 2.542 50 0 IFAARN COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1F ZINC000036589839 569121078 /nfs/dbraw/zinc/12/10/78/569121078.db2.gz VSTHLZSUYUJKEL-PSLIRLAXSA-N 0 0 425.258 2.530 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F ZINC000036593116 569121292 /nfs/dbraw/zinc/12/12/92/569121292.db2.gz VOVOQNHZKKWNCL-DYVFJYSZSA-N 0 0 442.463 2.779 50 0 IFAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1c[nH]c2ccccc12 ZINC000036593562 569121294 /nfs/dbraw/zinc/12/12/94/569121294.db2.gz PZBXBGYFAOJASA-LJQANCHMSA-N 0 0 448.479 2.661 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)ccc1OC)C(=O)OC ZINC000036594906 569121330 /nfs/dbraw/zinc/12/13/30/569121330.db2.gz YQDYWYLIQHDLLL-GMVOTWDCSA-N 0 0 430.505 2.672 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)CC1 ZINC000065245301 569121500 /nfs/dbraw/zinc/12/15/00/569121500.db2.gz CEMPMNQOIHHLPZ-QGZVFWFLSA-N 0 0 444.580 2.785 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)CC[C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)C1 ZINC000065245372 569121700 /nfs/dbraw/zinc/12/17/00/569121700.db2.gz GNOCACOJUDAECK-QZTJIDSGSA-N 0 0 429.565 2.849 50 0 IFAARN Cc1noc(-c2ccc(-n3ncc(C(=O)N4CCN(c5ccccc5)CC4)c3C)nc2)n1 ZINC000065251421 569122012 /nfs/dbraw/zinc/12/20/12/569122012.db2.gz NRUVQCFDUFVWRM-UHFFFAOYSA-N 0 0 429.484 2.897 50 0 IFAARN Cc1nc(-c2noc(-c3cccnc3)n2)cn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000065250306 569122165 /nfs/dbraw/zinc/12/21/65/569122165.db2.gz JCQQJNKLDOGSSH-UHFFFAOYSA-N 0 0 447.474 2.791 50 0 IFAARN Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000036614717 569122274 /nfs/dbraw/zinc/12/22/74/569122274.db2.gz FJDGGBQKRCPNKH-UHFFFAOYSA-N 0 0 438.553 2.981 50 0 IFAARN CC1CCN(C(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cn3)cn2)CC1 ZINC000065254354 569122655 /nfs/dbraw/zinc/12/26/55/569122655.db2.gz ZPVPJXJLDRPQQW-QGZVFWFLSA-N 0 0 431.562 2.560 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)N4CCCCCC4)c3)nc2)C1 ZINC000065254355 569122664 /nfs/dbraw/zinc/12/26/64/569122664.db2.gz ULMWAUWHOVBZBQ-QGZVFWFLSA-N 0 0 431.562 2.704 50 0 IFAARN COc1ccc(S(=O)(=O)n2nc(-c3cnn(C)c3C)cc2-c2cnn(C)c2C)cc1 ZINC000036611544 569123486 /nfs/dbraw/zinc/12/34/86/569123486.db2.gz KTTNVYKVPJKLEQ-UHFFFAOYSA-N 0 0 426.502 2.547 50 0 IFAARN Cc1c(S(=O)(=O)N2CCN(Cc3cccc(Br)c3)CC2)cnn1C(F)F ZINC000036614484 569124053 /nfs/dbraw/zinc/12/40/53/569124053.db2.gz BRGMYCCKYSXACT-UHFFFAOYSA-N 0 0 449.321 2.856 50 0 IFAARN CCN1CCCn2cc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)cc2C1=O ZINC000065258805 569124733 /nfs/dbraw/zinc/12/47/33/569124733.db2.gz LOCBQONPYVJGJQ-UHFFFAOYSA-N 0 0 436.965 2.518 50 0 IFAARN CN(CCOc1ccccc1)CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000013131162 569125398 /nfs/dbraw/zinc/12/53/98/569125398.db2.gz IBAQUFLZNNYCSO-UHFFFAOYSA-N 0 0 431.558 2.811 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3nc(C)sc3c2)cc1 ZINC000013164162 569125787 /nfs/dbraw/zinc/12/57/87/569125787.db2.gz KFCFPSYHFGTDRX-UHFFFAOYSA-N 0 0 432.527 2.870 50 0 IFAARN COc1cc([C@H](CC(=O)NCCc2ccc(O)cc2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730842 569126186 /nfs/dbraw/zinc/12/61/86/569126186.db2.gz ZGCYRVIBQHZEGX-SFHVURJKSA-N 0 0 439.464 2.955 50 0 IFAARN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2ccccc2s1 ZINC000036621969 569126429 /nfs/dbraw/zinc/12/64/29/569126429.db2.gz AAXMAJUSICEZFK-SFHVURJKSA-N 0 0 428.539 2.676 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)NCCCN(C)c2ccccc2)C(C)C)cc1 ZINC000036622001 569126516 /nfs/dbraw/zinc/12/65/16/569126516.db2.gz BQAQRAYBBGUIIF-NRFANRHFSA-N 0 0 433.574 2.641 50 0 IFAARN COc1ccc2c(c1)n(C)cc(C(=O)Nc1cccc(OCCN3CCOCC3)c1)c2=O ZINC000524733059 569126890 /nfs/dbraw/zinc/12/68/90/569126890.db2.gz PTCOENDDNFMAQU-UHFFFAOYSA-N 0 0 437.496 2.510 50 0 IFAARN CSCC[C@@H](C(=O)Nc1c2c(nn1C)CSC2)n1c(=O)[nH]c2ccccc2c1=O ZINC000524733332 569127089 /nfs/dbraw/zinc/12/70/89/569127089.db2.gz IGBZGIMGVJZASH-HNNXBMFYSA-N 0 0 431.543 2.515 50 0 IFAARN COCCN=C1Nc2ccccc2CN[C@]12CCN(S(=O)(=O)c1cccc(Cl)c1)C2 ZINC000065265834 569127282 /nfs/dbraw/zinc/12/72/82/569127282.db2.gz RFDWVFQUUVJBFM-NRFANRHFSA-N 0 0 448.976 2.543 50 0 IFAARN COC(=O)c1cn(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000524734054 569128014 /nfs/dbraw/zinc/12/80/14/569128014.db2.gz RHEGKPDKIRZHOV-LJQANCHMSA-N 0 0 428.448 2.951 50 0 IFAARN COC(=O)c1nc(NC(=O)[C@H](CCSC)n2c(=O)[nH]c3ccccc3c2=O)sc1C ZINC000524734045 569128057 /nfs/dbraw/zinc/12/80/57/569128057.db2.gz QKBOGKQNMIQSFS-ZDUSSCGKSA-N 0 0 448.526 2.587 50 0 IFAARN C=C1C(N2CCCN(C(=O)NCc3ccco3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271915 569128715 /nfs/dbraw/zinc/12/87/15/569128715.db2.gz GAGHZLOUKBQIHB-UHFFFAOYSA-N 0 0 442.541 2.978 50 0 IFAARN C=C1C(N2CCCN(S(=O)(=O)CCC)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065272004 569128867 /nfs/dbraw/zinc/12/88/67/569128867.db2.gz QVEBMVVTPPMBDN-UHFFFAOYSA-N 0 0 445.994 2.560 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)cc1OC ZINC000065272725 569129116 /nfs/dbraw/zinc/12/91/16/569129116.db2.gz RVXXIZHMYXNRRK-AWEZNQCLSA-N 0 0 430.526 2.981 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccc(Cl)cc2)CC3)CC1 ZINC000065273347 569129367 /nfs/dbraw/zinc/12/93/67/569129367.db2.gz VCLXIYRHHSFOOL-INIZCTEOSA-N 0 0 432.977 2.886 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)c1 ZINC000065273324 569129393 /nfs/dbraw/zinc/12/93/93/569129393.db2.gz UBNHQXLZCPHNMY-OAHLLOKOSA-N 0 0 444.557 2.572 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)c(C)c1 ZINC000065273409 569129494 /nfs/dbraw/zinc/12/94/94/569129494.db2.gz AQFHFJROUJSKQX-INIZCTEOSA-N 0 0 428.558 2.872 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc1F ZINC000065273391 569129535 /nfs/dbraw/zinc/12/95/35/569129535.db2.gz YKDUPWZRBBAELB-AWEZNQCLSA-N 0 0 432.521 2.703 50 0 IFAARN O=C(Cn1ncc2c1ncnc2N1CCCCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065295025 569131374 /nfs/dbraw/zinc/13/13/74/569131374.db2.gz DOJRRGWMEOPWPD-UHFFFAOYSA-N 0 0 439.951 2.819 50 0 IFAARN Cc1ccc(NC(=O)Cn2ncc3c2ncnc3N2CCN(c3ccccn3)CC2)cc1C ZINC000065295730 569131493 /nfs/dbraw/zinc/13/14/93/569131493.db2.gz YCWMHBITPNTOBB-UHFFFAOYSA-N 0 0 442.527 2.803 50 0 IFAARN CCc1ccccc1NC(=O)Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1 ZINC000065295684 569131496 /nfs/dbraw/zinc/13/14/96/569131496.db2.gz ORSJWLQHZZSATL-UHFFFAOYSA-N 0 0 442.527 2.749 50 0 IFAARN CC(=O)Nc1nsc(N2CCC(C(=O)N3CCN(c4ccccc4Cl)CC3)CC2)n1 ZINC000065307668 569132567 /nfs/dbraw/zinc/13/25/67/569132567.db2.gz CNQXHFFNPVOPGN-UHFFFAOYSA-N 0 0 448.980 2.715 50 0 IFAARN Cc1cc2nn(CC(=O)NCc3ccc(F)cc3)c(=O)n2c(Nc2ccc(C)c(F)c2)n1 ZINC000065307894 569132603 /nfs/dbraw/zinc/13/26/03/569132603.db2.gz PWDWOZNETXYRPW-UHFFFAOYSA-N 0 0 438.438 2.846 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CCC(C)C)c2=O)cc1 ZINC000065305140 569132920 /nfs/dbraw/zinc/13/29/20/569132920.db2.gz PXFOQWKIMBIEQJ-UHFFFAOYSA-N 0 0 425.514 2.866 50 0 IFAARN O=C(CN1CCCN(Cc2cccc(F)c2)S1(=O)=O)NCc1ccc(Cl)cc1 ZINC000065304986 569132925 /nfs/dbraw/zinc/13/29/25/569132925.db2.gz CIERKDSWSWYBMS-UHFFFAOYSA-N 0 0 425.913 2.548 50 0 IFAARN CCOc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)cc1 ZINC000065305216 569133043 /nfs/dbraw/zinc/13/30/43/569133043.db2.gz BBFNKUXXMWEQJR-UHFFFAOYSA-N 0 0 441.513 2.566 50 0 IFAARN CC(C)Cn1c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)n2c2ccsc2c1=O ZINC000065305236 569133057 /nfs/dbraw/zinc/13/30/57/569133057.db2.gz XCBMHCKGRKNWLE-UHFFFAOYSA-N 0 0 431.905 2.821 50 0 IFAARN CCc1ccccc1NC(=O)Cn1nc2n(c3ccsc3c(=O)n2CC(C)C)c1=O ZINC000065305229 569133087 /nfs/dbraw/zinc/13/30/87/569133087.db2.gz UFYNXPCIENBQNA-UHFFFAOYSA-N 0 0 425.514 2.730 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(N1CCSC1)n(-c1ccc(OC)c(OC)c1)c2=O ZINC000065306641 569133353 /nfs/dbraw/zinc/13/33/53/569133353.db2.gz WKWVTXIEJVBREF-UHFFFAOYSA-N 0 0 427.482 2.700 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(N1CCSC1)n(-c1cc(OC)cc(OC)c1)c2=O ZINC000065306681 569133434 /nfs/dbraw/zinc/13/34/34/569133434.db2.gz ODMWSGCETZGCGM-UHFFFAOYSA-N 0 0 427.482 2.700 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(N1CCC(C(N)=O)CC1)n(-c1ccc(Cl)cc1)c2=O ZINC000065306569 569133444 /nfs/dbraw/zinc/13/34/44/569133444.db2.gz BZVLUMSJGYKCJU-UHFFFAOYSA-N 0 0 440.887 2.527 50 0 IFAARN C[C@@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)C(=O)NCc1ccc(Cl)cc1 ZINC000036692659 569133831 /nfs/dbraw/zinc/13/38/31/569133831.db2.gz WLFQGLHFXWVWNZ-CYBMUJFWSA-N 0 0 447.948 2.788 50 0 IFAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2c(cccc2Cl)s1 ZINC000036703696 569134020 /nfs/dbraw/zinc/13/40/20/569134020.db2.gz ZBJUTCBTJDOQMQ-GXTWGEPZSA-N 0 0 443.978 2.886 50 0 IFAARN C[C@H](Cc1ccco1)NC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000065319168 569134622 /nfs/dbraw/zinc/13/46/22/569134622.db2.gz QXNFCJMJMXJPOL-OAHLLOKOSA-N 0 0 444.513 2.865 50 0 IFAARN O=C(NCc1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 ZINC000065319232 569134807 /nfs/dbraw/zinc/13/48/07/569134807.db2.gz NGOWHPSHCUEXON-UHFFFAOYSA-N 0 0 430.486 2.824 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)c(C)c1 ZINC000036700313 569135119 /nfs/dbraw/zinc/13/51/19/569135119.db2.gz FCZBMJHBWFFDPN-NRFANRHFSA-N 0 0 431.558 2.695 50 0 IFAARN Cn1cc(CN2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 ZINC000065330092 569137058 /nfs/dbraw/zinc/13/70/58/569137058.db2.gz IDGKZVASFSSXDE-UHFFFAOYSA-N 0 0 444.535 2.899 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3ncccc3Br)C2)cc1 ZINC000238891316 569137746 /nfs/dbraw/zinc/13/77/46/569137746.db2.gz QQIKCDFPCMJBQQ-AWEZNQCLSA-N 0 0 440.319 2.645 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 ZINC000238941880 569138087 /nfs/dbraw/zinc/13/80/87/569138087.db2.gz WBGMOOWXJRXTLR-LJQANCHMSA-N 0 0 429.565 2.840 50 0 IFAARN Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CC2)on1 ZINC000065503896 569138919 /nfs/dbraw/zinc/13/89/19/569138919.db2.gz FVNZIWUCAUWCRW-UHFFFAOYSA-N 0 0 425.489 2.645 50 0 IFAARN CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000065565228 569139414 /nfs/dbraw/zinc/13/94/14/569139414.db2.gz ZZGJGFZEFILJTC-LBPRGKRZSA-N 0 0 428.910 2.872 50 0 IFAARN Cc1ccn2c(=O)cc(COC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2c1 ZINC000037132969 569140307 /nfs/dbraw/zinc/14/03/07/569140307.db2.gz TUASWPSDCPQFNZ-UHFFFAOYSA-N 0 0 432.885 2.706 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N(C2=CCCCC2)C2CC2)C1=O ZINC000007470921 569140774 /nfs/dbraw/zinc/14/07/74/569140774.db2.gz LYWHEIBOBJFNEN-QHCPKHFHSA-N 0 0 425.485 2.674 50 0 IFAARN CS(=O)(=O)N1CCC[C@H]1C(=O)N(C[C@H]1CCCO1)c1nc2c(cccc2Cl)s1 ZINC000240178584 569140903 /nfs/dbraw/zinc/14/09/03/569140903.db2.gz ZBJUTCBTJDOQMQ-OCCSQVGLSA-N 0 0 443.978 2.886 50 0 IFAARN COc1ccccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000037203334 569140922 /nfs/dbraw/zinc/14/09/22/569140922.db2.gz QTXQWRNWSODHMR-ZACQAIPSSA-N 0 0 432.542 2.984 50 0 IFAARN O=C(CSCc1cccnc1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000170593274 569141175 /nfs/dbraw/zinc/14/11/75/569141175.db2.gz AYSJWCGCEXPPNV-IBGZPJMESA-N 0 0 431.583 2.698 50 0 IFAARN CCCCOCCOCCOCCS(=O)(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000170595643 569141710 /nfs/dbraw/zinc/14/17/10/569141710.db2.gz METPDFIBSYGRFU-UHFFFAOYSA-N 0 0 425.551 2.523 50 0 IFAARN CC[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000170595565 569141799 /nfs/dbraw/zinc/14/17/99/569141799.db2.gz BSWDYLNYWCIHLZ-SBUREZEXSA-N 0 0 427.501 2.622 50 0 IFAARN COC(=O)[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)c1c(C)cccc1C ZINC000170597947 569142245 /nfs/dbraw/zinc/14/22/45/569142245.db2.gz VIIVKNIDQOJBOT-HXUWFJFHSA-N 0 0 448.541 2.643 50 0 IFAARN CCNS(=O)(=O)c1cc(NC(=O)c2ccc(-n3cccc3)cc2)ccc1C(=O)N(C)C ZINC000170606182 569143856 /nfs/dbraw/zinc/14/38/56/569143856.db2.gz ZRWGLLSZSIBKBS-UHFFFAOYSA-N 0 0 440.525 2.730 50 0 IFAARN O=C(CC1(O)CCCC1)Nc1cnn(C[C@H]2CCCCN2C(=O)CC2(O)CCCC2)c1 ZINC000170611346 569145269 /nfs/dbraw/zinc/14/52/69/569145269.db2.gz SXNOMWQITACSOJ-LJQANCHMSA-N 0 0 432.565 2.593 50 0 IFAARN CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000170622674 569147966 /nfs/dbraw/zinc/14/79/66/569147966.db2.gz PGBCIZNTWFQTRZ-UHFFFAOYSA-N 0 0 425.528 2.646 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1cccc(F)c1 ZINC000009761661 569149107 /nfs/dbraw/zinc/14/91/07/569149107.db2.gz LIJUNYNOZAQNDM-UHFFFAOYSA-N 0 0 432.429 2.624 50 0 IFAARN NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 ZINC000009869673 569149375 /nfs/dbraw/zinc/14/93/75/569149375.db2.gz RBSQQUWYUGNZGC-OAQYLSRUSA-N 0 0 436.489 2.718 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)COCc2nc3ccccc3s2)C1=O ZINC000009870193 569149405 /nfs/dbraw/zinc/14/94/05/569149405.db2.gz LFNKVWJJZZIJET-QFIPXVFZSA-N 0 0 438.509 2.787 50 0 IFAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000009882112 569149495 /nfs/dbraw/zinc/14/94/95/569149495.db2.gz HHFRUESCWHGXED-UHFFFAOYSA-N 0 0 434.905 2.670 50 0 IFAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(Br)o1 ZINC000009883997 569150242 /nfs/dbraw/zinc/15/02/42/569150242.db2.gz IUMBQDBFRJOSCW-UHFFFAOYSA-N 0 0 429.654 2.949 50 0 IFAARN O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCN(CCc2ccccn2)CC1 ZINC000071288960 569151005 /nfs/dbraw/zinc/15/10/05/569151005.db2.gz OUIOOMABGLYODS-KRWDZBQOSA-N 0 0 430.936 2.625 50 0 IFAARN O=C([O-])[C@H](CC(=O)Nc1cccc(O)c1)C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000071282839 569151021 /nfs/dbraw/zinc/15/10/21/569151021.db2.gz IVTUGQKEHDXXIJ-QGZVFWFLSA-N 0 0 431.920 2.893 50 0 IFAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1=O ZINC000009954161 569151052 /nfs/dbraw/zinc/15/10/52/569151052.db2.gz PFUSUBPWJPLBFT-FLPMJASOSA-N 0 0 448.523 2.571 50 0 IFAARN CCO[C@@]1(c2ccc(OC)cc2)N=C2ON=CN=C2N1OCC(=O)c1ccc(OC)cc1 ZINC000071415989 569151313 /nfs/dbraw/zinc/15/13/13/569151313.db2.gz CORWVQOOAYFLAH-QFIPXVFZSA-N 0 0 438.440 2.751 50 0 IFAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3F)C3CC3)C2=O)cc1 ZINC000009996065 569151434 /nfs/dbraw/zinc/15/14/34/569151434.db2.gz DEMNVDQXPVIMHO-HSZRJFAPSA-N 0 0 425.460 2.793 50 0 IFAARN Nc1nc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)nc(Nc2ccc(F)cc2)n1 ZINC000010026758 569151673 /nfs/dbraw/zinc/15/16/73/569151673.db2.gz UKHMDZYAMQMVCP-QFIPXVFZSA-N 0 0 433.447 2.620 50 0 IFAARN Cc1cc(O)c(Cc2c(O)cc(C)n(Cc3ccccn3)c2=O)c(=O)n1Cc1ccccn1 ZINC000010217793 569153383 /nfs/dbraw/zinc/15/33/83/569153383.db2.gz ORKUNLTXEPNWOW-UHFFFAOYSA-N 0 0 444.491 2.515 50 0 IFAARN O=C(CNC(=O)c1cnc2ccccc2c1O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000071824276 569154688 /nfs/dbraw/zinc/15/46/88/569154688.db2.gz UYRDIGCCJNYEJZ-HSZRJFAPSA-N 0 0 426.476 2.691 50 0 IFAARN Cc1cc(C)c(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c(=O)[nH]1 ZINC000010458430 569154752 /nfs/dbraw/zinc/15/47/52/569154752.db2.gz AZZWEMCFDMDDKS-HUUCEWRRSA-N 0 0 431.558 2.588 50 0 IFAARN O=C(Nc1nnc(Cc2cccs2)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000013653607 569156426 /nfs/dbraw/zinc/15/64/26/569156426.db2.gz HDWMYLHHMKHURQ-HNNXBMFYSA-N 0 0 436.490 2.653 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3ccc(F)cc3F)n2)cc1 ZINC000013798583 569157025 /nfs/dbraw/zinc/15/70/25/569157025.db2.gz NTGLYRUDQQFTPL-UHFFFAOYSA-N 0 0 435.452 2.566 50 0 IFAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000014044852 569157565 /nfs/dbraw/zinc/15/75/65/569157565.db2.gz GMNRKIABEOKPAC-UHFFFAOYSA-N 0 0 443.500 2.946 50 0 IFAARN Cc1nc2nc(=S)[nH]n2c(C)c1CCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000014235141 569158231 /nfs/dbraw/zinc/15/82/31/569158231.db2.gz XZFJLRJGVMJHSD-UHFFFAOYSA-N 0 0 438.435 2.509 50 0 IFAARN O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000014265954 569158320 /nfs/dbraw/zinc/15/83/20/569158320.db2.gz ZXDOONYFPNTLHT-UHFFFAOYSA-N 0 0 441.538 2.905 50 0 IFAARN COc1cc(C2=N/C(=C\c3cc(OC)c4c(c3)OCCO4)C(=O)O2)cc(OC)c1OC ZINC000014249006 569158340 /nfs/dbraw/zinc/15/83/40/569158340.db2.gz JZVLYITZHJWCCX-AUWJEWJLSA-N 0 0 427.409 2.837 50 0 IFAARN C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)n1c2ccccc2oc1=O ZINC000014316335 569158472 /nfs/dbraw/zinc/15/84/72/569158472.db2.gz UALUQQBNJWNUOF-AWEZNQCLSA-N 0 0 437.452 2.762 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CN1CCC(C(=O)c3ccc4c(c3)OCCO4)CC1)C2=O ZINC000014317064 569158544 /nfs/dbraw/zinc/15/85/44/569158544.db2.gz PLHVXPZAKFBQMV-UHFFFAOYSA-N 0 0 441.528 2.811 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 ZINC000014425137 569158979 /nfs/dbraw/zinc/15/89/79/569158979.db2.gz CUJRNSFLNRZLAF-LJQANCHMSA-N 0 0 443.569 2.745 50 0 IFAARN O=C(/C=C/C(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccccc2F)CC1 ZINC000016711659 569159996 /nfs/dbraw/zinc/15/99/96/569159996.db2.gz PBCKEUUBUGSDSJ-MDZDMXLPSA-N 0 0 440.494 2.518 50 0 IFAARN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(Cl)nn4)CC3)C2)cc1 ZINC000089629626 569160121 /nfs/dbraw/zinc/16/01/21/569160121.db2.gz WHVGBVQOHPLTBH-SFHVURJKSA-N 0 0 427.936 2.639 50 0 IFAARN Cc1cccc(NC(=O)CSCC(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)c1 ZINC000089672803 569161180 /nfs/dbraw/zinc/16/11/80/569161180.db2.gz SAYZTILPRFANKF-AVRDEDQJSA-N 0 0 429.517 2.894 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc6c(c5)OCO6)no4)ccn3n2)cc1 ZINC000016841989 569163342 /nfs/dbraw/zinc/16/33/42/569163342.db2.gz YRCDLYUVPMTMFZ-UHFFFAOYSA-N 0 0 443.419 2.999 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncn(Cc2nc(-c4ccc(C)cc4)no2)c3=O)cc1 ZINC000016843409 569163544 /nfs/dbraw/zinc/16/35/44/569163544.db2.gz CANFHSJDXHTNAV-UHFFFAOYSA-N 0 0 429.440 2.783 50 0 IFAARN CCc1ccc(-n2nnc3c2ncn(Cc2nc(-c4ccc(OC)cc4)no2)c3=O)cc1 ZINC000016843397 569163564 /nfs/dbraw/zinc/16/35/64/569163564.db2.gz SPKPTWMMAVQHRE-UHFFFAOYSA-N 0 0 429.440 2.647 50 0 IFAARN CS(=O)(=O)N1CCC[C@H]1C(=O)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 ZINC000016847965 569164145 /nfs/dbraw/zinc/16/41/45/569164145.db2.gz CTLIENQCWPAYPJ-INIZCTEOSA-N 0 0 434.518 2.788 50 0 IFAARN O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)N1CCN(c2ncccn2)CC1 ZINC000016849017 569164572 /nfs/dbraw/zinc/16/45/72/569164572.db2.gz FONDQBHFGZSVEG-UHFFFAOYSA-N 0 0 437.529 2.859 50 0 IFAARN O=S(=O)(Nc1cc2c(cc1Br)OCCO2)c1ccc2c(c1)OCCO2 ZINC000089807671 569165129 /nfs/dbraw/zinc/16/51/29/569165129.db2.gz HFAMNQYZBHAPSZ-UHFFFAOYSA-N 0 0 428.260 2.792 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(CCc3ccccc3)c2=O)cc1 ZINC000016890759 569165559 /nfs/dbraw/zinc/16/55/59/569165559.db2.gz ZJOWUGTWNUPNPF-UHFFFAOYSA-N 0 0 442.475 2.642 50 0 IFAARN CN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2C1 ZINC000016916210 569166266 /nfs/dbraw/zinc/16/62/66/569166266.db2.gz KGPTYFMSBPZHMD-UHFFFAOYSA-N 0 0 434.587 2.948 50 0 IFAARN COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000089919284 569167630 /nfs/dbraw/zinc/16/76/30/569167630.db2.gz WNSCZWSGMRWXFJ-OXJNMPFZSA-N 0 0 442.965 2.976 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 ZINC000089920249 569167816 /nfs/dbraw/zinc/16/78/16/569167816.db2.gz BXJPPZDPPCJCCF-QZTJIDSGSA-N 0 0 444.553 2.826 50 0 IFAARN C[C@@H](O)CN1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@H]1C ZINC000089939152 569168199 /nfs/dbraw/zinc/16/81/99/569168199.db2.gz KMMNOWGASBKASI-ZIAGYGMSSA-N 0 0 448.917 2.884 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1=O ZINC000016973372 569168512 /nfs/dbraw/zinc/16/85/12/569168512.db2.gz ICCMDLIYLWIFMI-NRFANRHFSA-N 0 0 446.507 2.882 50 0 IFAARN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000089950151 569168655 /nfs/dbraw/zinc/16/86/55/569168655.db2.gz DPGNDMUJCWSGSK-GOSISDBHSA-N 0 0 431.533 2.757 50 0 IFAARN CCCCCCn1cc(S(=O)(=O)Nc2cccc(Br)c2)c(=O)[nH]c1=O ZINC000089953418 569168705 /nfs/dbraw/zinc/16/87/05/569168705.db2.gz HONUYJXFBSONQW-UHFFFAOYSA-N 0 0 430.324 2.680 50 0 IFAARN Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000016976748 569168919 /nfs/dbraw/zinc/16/89/19/569168919.db2.gz YHHIQJDVZKCSGT-UHFFFAOYSA-N 0 0 431.967 2.811 50 0 IFAARN CCSc1nnc(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)s1 ZINC000016981232 569169275 /nfs/dbraw/zinc/16/92/75/569169275.db2.gz MSOGEGXOZZJOAR-UHFFFAOYSA-N 0 0 433.563 2.724 50 0 IFAARN CCN1C[C@@H](CN(C)C[C@H](O)COc2ccc(C(C)=O)cc2OC)Oc2ccccc21 ZINC000089977170 569169381 /nfs/dbraw/zinc/16/93/81/569169381.db2.gz QSGVEDDHVXAIEO-VQTJNVASSA-N 0 0 428.529 2.857 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1cccc(-n3cccn3)c1)n2CCO ZINC000089969077 569169459 /nfs/dbraw/zinc/16/94/59/569169459.db2.gz OUDDFTPOJQHPSC-UHFFFAOYSA-N 0 0 439.541 2.912 50 0 IFAARN Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c1 ZINC000017026610 569171099 /nfs/dbraw/zinc/17/10/99/569171099.db2.gz SSYZFGOXKKDUJZ-UHFFFAOYSA-N 0 0 442.497 2.627 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccco2)c2cccs2)cc1 ZINC000017043332 569171509 /nfs/dbraw/zinc/17/15/09/569171509.db2.gz MFSVSAOJZJTMEH-SFHVURJKSA-N 0 0 432.523 2.597 50 0 IFAARN O=C(NCCOc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000017114123 569174143 /nfs/dbraw/zinc/17/41/43/569174143.db2.gz SAUAYCQDHVJGGF-UHFFFAOYSA-N 0 0 441.912 2.574 50 0 IFAARN COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccc(C)c2)cc1 ZINC000017123048 569174271 /nfs/dbraw/zinc/17/42/71/569174271.db2.gz YTEXSGIUTNPVQZ-UHFFFAOYSA-N 0 0 435.509 2.844 50 0 IFAARN COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccc(C)c2)c1 ZINC000017123052 569174353 /nfs/dbraw/zinc/17/43/53/569174353.db2.gz OXZKFFOIPWYSEU-UHFFFAOYSA-N 0 0 435.509 2.844 50 0 IFAARN NC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4ccc5c(c4)OCO5)c3n2)CC1 ZINC000017170625 569175272 /nfs/dbraw/zinc/17/52/72/569175272.db2.gz BOQZTMPROFWVOC-UHFFFAOYSA-N 0 0 448.479 2.683 50 0 IFAARN O=S(=O)(NCCc1csc2nc(-c3cccs3)nn12)c1ccc2c(c1)OCCO2 ZINC000017170221 569175410 /nfs/dbraw/zinc/17/54/10/569175410.db2.gz QRTWCAVKEQNHAG-UHFFFAOYSA-N 0 0 448.551 2.812 50 0 IFAARN O=C(CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2)NC[C@H]1CCCO1 ZINC000017179017 569175645 /nfs/dbraw/zinc/17/56/45/569175645.db2.gz FKQULGFYINJQRH-MRXNPFEDSA-N 0 0 431.583 2.522 50 0 IFAARN C[C@@H]1Sc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cccnc4)CC3)cc2NC1=O ZINC000009228510 569175984 /nfs/dbraw/zinc/17/59/84/569175984.db2.gz OGTXSPDUUFSXJQ-ZDUSSCGKSA-N 0 0 446.554 2.554 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000017200690 569175995 /nfs/dbraw/zinc/17/59/95/569175995.db2.gz OYIBWMPPRFNCIY-NRFANRHFSA-N 0 0 437.477 2.748 50 0 IFAARN C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000001076515 569176733 /nfs/dbraw/zinc/17/67/33/569176733.db2.gz RJVDCGVFCFZZGV-HNNXBMFYSA-N 0 0 439.940 2.982 50 0 IFAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)NC[C@H]1CCCO1 ZINC000002873741 569177590 /nfs/dbraw/zinc/17/75/90/569177590.db2.gz QTCADUVUTPBDGM-CYBMUJFWSA-N 0 0 445.566 2.975 50 0 IFAARN CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccc(F)cc1F ZINC000002091885 569178732 /nfs/dbraw/zinc/17/87/32/569178732.db2.gz XUHCHCARTMHCSE-WIEQDCTASA-N 0 0 444.482 2.919 50 0 IFAARN CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1cccc(F)c1 ZINC000002092561 569178800 /nfs/dbraw/zinc/17/88/00/569178800.db2.gz LHHOIOMJLCOCJN-XFQAVAEZSA-N 0 0 426.492 2.779 50 0 IFAARN CCOC(=O)c1oc2cc(OS(C)(=O)=O)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 ZINC000002107236 569181134 /nfs/dbraw/zinc/18/11/34/569181134.db2.gz LEDKWWMSQIQKFV-UHFFFAOYSA-N 0 0 448.449 2.992 50 0 IFAARN C[C@@H](NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000170640641 569181311 /nfs/dbraw/zinc/18/13/11/569181311.db2.gz IKFUBWXGKKFPRJ-QGHHPUGFSA-N 0 0 426.416 2.878 50 0 IFAARN CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1ccc(I)cc1 ZINC000170640772 569181427 /nfs/dbraw/zinc/18/14/27/569181427.db2.gz IDIVHCCMYOWRMQ-CYBMUJFWSA-N 0 0 432.258 2.866 50 0 IFAARN COC(CN1CC(=O)N2[C@H](c3ccccc3C)c3[nH]c4ccccc4c3C[C@H]2C1=O)OC ZINC000002108483 569181724 /nfs/dbraw/zinc/18/17/24/569181724.db2.gz VKNOYTRGTAJFOT-GBXCKJPGSA-N 0 0 433.508 2.780 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccnc3Cl)CC2)c1 ZINC000014919926 569183460 /nfs/dbraw/zinc/18/34/60/569183460.db2.gz VOWQWEKMXDXYNG-INIZCTEOSA-N 0 0 436.965 2.685 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1c2ccccc2C[C@H]1C ZINC000252458367 569184429 /nfs/dbraw/zinc/18/44/29/569184429.db2.gz CPQOUQXNDVHRHR-CRICUBBOSA-N 0 0 443.551 2.940 50 0 IFAARN C[C@H](C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21)N1C(=O)NC2(CCCC2)C1=O ZINC000252516339 569189156 /nfs/dbraw/zinc/18/91/56/569189156.db2.gz SCZFTINAQACSSV-NCOADZHNSA-N 0 0 433.549 2.741 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)NCc3nc4ccccc4n3C(C)C)C2=O)cc1 ZINC000252519053 569189293 /nfs/dbraw/zinc/18/92/93/569189293.db2.gz AVIXLNNMJGBPDH-LJQANCHMSA-N 0 0 449.511 2.957 50 0 IFAARN Cc1ccc([C@H](NC(=O)CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)c2cccs2)cc1 ZINC000252533183 569189672 /nfs/dbraw/zinc/18/96/72/569189672.db2.gz GEWAGGQZAPNZEM-BXGKMRNVSA-N 0 0 442.610 2.801 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3ccc4[nH]ccc4c3)C2=O)cc1OC ZINC000252533030 569189802 /nfs/dbraw/zinc/18/98/02/569189802.db2.gz FTLCFDTVKXZKJT-GOSISDBHSA-N 0 0 436.468 2.881 50 0 IFAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000252536065 569189853 /nfs/dbraw/zinc/18/98/53/569189853.db2.gz HNRAYRVZJVEHJA-LJQANCHMSA-N 0 0 441.915 2.865 50 0 IFAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1n[nH]c(CCc2ccccc2)n1 ZINC000252550212 569190923 /nfs/dbraw/zinc/19/09/23/569190923.db2.gz SHMWUKJIHRGVDP-GOSISDBHSA-N 0 0 432.484 2.634 50 0 IFAARN COc1ccc(Cc2nc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)n[nH]2)cc1 ZINC000252550161 569190951 /nfs/dbraw/zinc/19/09/51/569190951.db2.gz SBTBFSBIEXZWNX-QGZVFWFLSA-N 0 0 434.456 2.523 50 0 IFAARN O=C(Cn1c(=O)n(-c2ccc(F)c(Cl)c2)c(=O)c2ccccc21)NCc1ccco1 ZINC000037399105 569194303 /nfs/dbraw/zinc/19/43/03/569194303.db2.gz BXJOZDHLCKGFDD-UHFFFAOYSA-N 0 0 427.819 2.854 50 0 IFAARN CC[C@@H](C)NC(=O)Cn1c2cc(Cl)ccc2c(=O)n(-c2ccc(C(C)=O)cc2)c1=O ZINC000037399455 569194587 /nfs/dbraw/zinc/19/45/87/569194587.db2.gz DSYWQSHYFUKBRO-CYBMUJFWSA-N 0 0 427.888 2.923 50 0 IFAARN COCC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(C)C ZINC000037400087 569194835 /nfs/dbraw/zinc/19/48/35/569194835.db2.gz SFWLKUYMNCWVFT-UHFFFAOYSA-N 0 0 434.514 2.796 50 0 IFAARN COCC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C[C@@H]1CCCO1 ZINC000037400636 569194962 /nfs/dbraw/zinc/19/49/62/569194962.db2.gz DEMYADTYFASDGC-FQEVSTJZSA-N 0 0 449.525 2.617 50 0 IFAARN CN(CC(=O)N1CCOCC1)C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000037426620 569195751 /nfs/dbraw/zinc/19/57/51/569195751.db2.gz ROVIRUPVEMJKRH-UHFFFAOYSA-N 0 0 428.436 2.836 50 0 IFAARN O=C(/N=c1\sccn1Cc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1F ZINC000037437527 569196236 /nfs/dbraw/zinc/19/62/36/569196236.db2.gz NBXKVQHFUMFDTF-GYHWCHFESA-N 0 0 425.485 2.951 50 0 IFAARN COc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)[nH]n2)cc1S(=O)(=O)N(C)C ZINC000037442793 569197077 /nfs/dbraw/zinc/19/70/77/569197077.db2.gz FVOKNKAGNFENIZ-SQWLQELKSA-N 0 0 434.562 2.890 50 0 IFAARN C[C@@H](C(=O)NC1CCCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000037477368 569197396 /nfs/dbraw/zinc/19/73/96/569197396.db2.gz KVJOZXVKUIKRRD-INIZCTEOSA-N 0 0 427.998 2.874 50 0 IFAARN CCc1ccc([C@H](C)NC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000037470506 569197409 /nfs/dbraw/zinc/19/74/09/569197409.db2.gz WQKWQQRBVBUYLY-ACRUOGEOSA-N 0 0 428.621 2.548 50 0 IFAARN COc1cccc(OCC(=O)c2ccc3c(c2)N([C@@H](C)C(=O)NCC2CC2)C(=O)CO3)c1 ZINC000037511741 569197955 /nfs/dbraw/zinc/19/79/55/569197955.db2.gz ILVFOPCEALRVIO-HNNXBMFYSA-N 0 0 438.480 2.597 50 0 IFAARN Cc1cccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)c3ccco3)CC2)c1 ZINC000037576049 569201307 /nfs/dbraw/zinc/20/13/07/569201307.db2.gz NADMJHHLPMUYTO-UHFFFAOYSA-N 0 0 433.468 2.665 50 0 IFAARN O=C(NC1CCN(C(=O)C2CCCC2)CC1)c1nccnc1NC(=O)C1CCCCC1 ZINC000037574120 569201357 /nfs/dbraw/zinc/20/13/57/569201357.db2.gz GHBMFMLHPVYIPK-UHFFFAOYSA-N 0 0 427.549 2.906 50 0 IFAARN CC(=O)N[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1cccc2ccccc21 ZINC000241719791 569203669 /nfs/dbraw/zinc/20/36/69/569203669.db2.gz QPPZFMUEXZZDBD-YDBZGQDJSA-N 0 0 435.476 2.923 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252666419 569209705 /nfs/dbraw/zinc/20/97/05/569209705.db2.gz BLDNSYRSCINTMS-LJQANCHMSA-N 0 0 440.546 2.868 50 0 IFAARN COc1cc(C=c2sc3nc4cc(Br)cnc4n3c2=O)ccc1OC(C)=O ZINC000252669758 569209782 /nfs/dbraw/zinc/20/97/82/569209782.db2.gz IPUXBPKMNJWTQR-UHFFFAOYSA-N 0 0 446.282 2.548 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccsc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252672348 569210039 /nfs/dbraw/zinc/21/00/39/569210039.db2.gz PYOYTJDSQGNANU-IBGZPJMESA-N 0 0 440.546 2.868 50 0 IFAARN CN(C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000252675356 569210257 /nfs/dbraw/zinc/21/02/57/569210257.db2.gz TVOVFUMLBFCUFG-NOLJZWGESA-N 0 0 440.787 2.740 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000007907075 569211869 /nfs/dbraw/zinc/21/18/69/569211869.db2.gz LFUAPHJFKCYHKO-UHFFFAOYSA-N 0 0 427.545 2.803 50 0 IFAARN COc1ccc(N(CC(=O)Nc2cccc(C)c2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000002693801 569212632 /nfs/dbraw/zinc/21/26/32/569212632.db2.gz SGENEIQKBHNWDQ-RTBURBONSA-N 0 0 445.566 2.717 50 0 IFAARN COc1ccc(N(CC(=O)Nc2cccc(C)c2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000002693803 569212649 /nfs/dbraw/zinc/21/26/49/569212649.db2.gz SGENEIQKBHNWDQ-MOPGFXCFSA-N 0 0 445.566 2.717 50 0 IFAARN O=C(NCc1ccco1)c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000002959192 569212889 /nfs/dbraw/zinc/21/28/89/569212889.db2.gz KGYILCAFUXKCDU-CABCVRRESA-N 0 0 425.919 2.543 50 0 IFAARN COC(=O)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 ZINC000003007645 569212976 /nfs/dbraw/zinc/21/29/76/569212976.db2.gz CCVJCIIRQYBRPJ-UHFFFAOYSA-N 0 0 433.464 2.872 50 0 IFAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(OC)c(OC)c3)N2C1=O ZINC000002246775 569214498 /nfs/dbraw/zinc/21/44/98/569214498.db2.gz HZXWPYLZVMCYFR-FUHWJXTLSA-N 0 0 434.514 2.932 50 0 IFAARN CCC(=O)O[C@]1(C(=O)CO)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000040441890 569257881 /nfs/dbraw/zinc/25/78/81/569257881.db2.gz ITYMTTQVNYAJAA-UXTGYCKKSA-N 0 0 448.531 2.857 50 0 IFAARN O=C(C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000253390510 569264282 /nfs/dbraw/zinc/26/42/82/569264282.db2.gz OBTFEBVMTLNXEZ-CAIZAGQASA-N 0 0 449.979 2.689 50 0 IFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000253405292 569265329 /nfs/dbraw/zinc/26/53/29/569265329.db2.gz IEYWBEROUPQPII-UNMCSNQZSA-N 0 0 439.475 2.909 50 0 IFAARN COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1nnc([C@H]3CCCO3)s1)C=C2 ZINC000253413968 569266116 /nfs/dbraw/zinc/26/61/16/569266116.db2.gz WCQJGQQJJJQMGN-OAHLLOKOSA-N 0 0 444.513 2.791 50 0 IFAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000253417219 569266569 /nfs/dbraw/zinc/26/65/69/569266569.db2.gz NWIYNSDJAWCBFM-NVXWUHKLSA-N 0 0 440.562 2.636 50 0 IFAARN CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000253423115 569266973 /nfs/dbraw/zinc/26/69/73/569266973.db2.gz MLFQIYJRJLOFMV-NRFANRHFSA-N 0 0 439.560 2.699 50 0 IFAARN O=C(NCCCOC[C@H]1CCCO1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000253425895 569267259 /nfs/dbraw/zinc/26/72/59/569267259.db2.gz WKCRNQINPMBAKH-OAHLLOKOSA-N 0 0 439.310 2.884 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ncnn3C(C)C)cc2)cc1 ZINC000253429684 569267491 /nfs/dbraw/zinc/26/74/91/569267491.db2.gz UKNYMDCYRZXLMC-UHFFFAOYSA-N 0 0 429.502 2.598 50 0 IFAARN Cc1c(Cl)c(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)sc1S(N)(=O)=O ZINC000253429411 569267635 /nfs/dbraw/zinc/26/76/35/569267635.db2.gz CXTNGCTUUIWGLJ-UHFFFAOYSA-N 0 0 441.962 2.848 50 0 IFAARN Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 ZINC000002291112 569267890 /nfs/dbraw/zinc/26/78/90/569267890.db2.gz BQOJXHMOVAWEJV-CQSZACIVSA-N 0 0 431.452 2.793 50 0 IFAARN C[C@@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(N)=O)n32)C1 ZINC000002293873 569268130 /nfs/dbraw/zinc/26/81/30/569268130.db2.gz ZXFCYJVZJFWIBP-LLVKDONJSA-N 0 0 425.539 2.797 50 0 IFAARN CCOC(=O)C1=C(CN(C)Cc2cnn(-c3ccccc3)c2)NC(=O)N[C@@H]1c1ccco1 ZINC000027551433 569271923 /nfs/dbraw/zinc/27/19/23/569271923.db2.gz PJEKSQOFWCRKPQ-OAQYLSRUSA-N 0 0 435.484 2.768 50 0 IFAARN CCOC(=O)[C@@H]1N[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000002317088 569272459 /nfs/dbraw/zinc/27/24/59/569272459.db2.gz VNNZLGIBHWIYBJ-XMTFNYHQSA-N 0 0 443.297 2.831 50 0 IFAARN CCOC(=O)[C@@H]1N[C@@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000002317090 569272477 /nfs/dbraw/zinc/27/24/77/569272477.db2.gz VNNZLGIBHWIYBJ-VSZNYVQBSA-N 0 0 443.297 2.831 50 0 IFAARN COCCN1C(=O)CN(C2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)C1=O ZINC000253471214 569282554 /nfs/dbraw/zinc/28/25/54/569282554.db2.gz BNDSZMBTCBKXCP-UHFFFAOYSA-N 0 0 435.524 2.798 50 0 IFAARN O=C1CCc2cc(S(=O)(=O)N3CCC(Oc4ccncc4Cl)CC3)cc3c2N1CC3 ZINC000253473783 569282916 /nfs/dbraw/zinc/28/29/16/569282916.db2.gz YKJKIXIJBXUDQA-UHFFFAOYSA-N 0 0 447.944 2.802 50 0 IFAARN CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)c1F ZINC000253473899 569282946 /nfs/dbraw/zinc/28/29/46/569282946.db2.gz ZNQCVUVVAHGYHS-GFCCVEGCSA-N 0 0 435.399 2.919 50 0 IFAARN CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000253501928 569283568 /nfs/dbraw/zinc/28/35/68/569283568.db2.gz OTLJDTMBQKLRPK-FXGQFTNSSA-N 0 0 448.556 2.715 50 0 IFAARN COCCNc1nc2c(c(=O)[nH]1)C[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N2 ZINC000253537588 569284159 /nfs/dbraw/zinc/28/41/59/569284159.db2.gz ROABUNGYJKTIIV-VIFPVBQESA-N 0 0 440.287 2.687 50 0 IFAARN Cc1ccccc1OCCSc1ncn(-c2nc(N(C)C)nc(N3CCCCC3)n2)n1 ZINC000027738967 569295673 /nfs/dbraw/zinc/29/56/73/569295673.db2.gz LMNKVENUWCOGQV-UHFFFAOYSA-N 0 0 440.577 2.988 50 0 IFAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)OC)cc3)n2N)c1 ZINC000002399426 569298957 /nfs/dbraw/zinc/29/89/57/569298957.db2.gz HWHOAQOMOPCDCL-UHFFFAOYSA-N 0 0 427.486 2.575 50 0 IFAARN CCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)cc1OCC ZINC000002422654 569302201 /nfs/dbraw/zinc/30/22/01/569302201.db2.gz VEYIVIBRBDXPIW-STZFKDTASA-N 0 0 449.532 2.756 50 0 IFAARN CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O ZINC000002437428 569303870 /nfs/dbraw/zinc/30/38/70/569303870.db2.gz LRHWXLHDLZFPIW-NBGIEHNGSA-N 0 0 432.524 2.801 50 0 IFAARN COCCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000012954209 569305187 /nfs/dbraw/zinc/30/51/87/569305187.db2.gz HYZQKOPZZJONRX-CQSZACIVSA-N 0 0 425.359 2.851 50 0 IFAARN O=C(Nc1ccc(F)cc1F)[C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1 ZINC000012961190 569305416 /nfs/dbraw/zinc/30/54/16/569305416.db2.gz RCWZUPBKSRJPLE-HXUWFJFHSA-N 0 0 433.480 2.726 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)c3cccc(Cl)c3)CC2)cc1 ZINC000013030201 569307356 /nfs/dbraw/zinc/30/73/56/569307356.db2.gz YZQDGYZBPTZKGC-QGZVFWFLSA-N 0 0 435.977 2.832 50 0 IFAARN CCc1cccc(CC)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013031269 569307473 /nfs/dbraw/zinc/30/74/73/569307473.db2.gz BXFVEKXGCOZSCR-UHFFFAOYSA-N 0 0 433.549 2.896 50 0 IFAARN CCc1cc2c(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc(=O)oc2cc1O ZINC000013030250 569307512 /nfs/dbraw/zinc/30/75/12/569307512.db2.gz BSWWUHXVTVJLDO-UHFFFAOYSA-N 0 0 442.537 2.876 50 0 IFAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C(C)C)C2=O)cc1OC ZINC000013038790 569307901 /nfs/dbraw/zinc/30/79/01/569307901.db2.gz WFYHWWYITHEOJI-QHCPKHFHSA-N 0 0 425.485 2.912 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)COc2ccccc2C)c(=O)[nH]c1=O ZINC000013040646 569308032 /nfs/dbraw/zinc/30/80/32/569308032.db2.gz ZFPZDBNYKBLAET-UHFFFAOYSA-N 0 0 436.512 2.840 50 0 IFAARN C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000013042235 569308207 /nfs/dbraw/zinc/30/82/07/569308207.db2.gz IMSNANWWIUYIAY-AWEZNQCLSA-N 0 0 427.979 2.585 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)COc2ccc(CC)cc2)c(=O)[nH]c1=O ZINC000013057058 569308422 /nfs/dbraw/zinc/30/84/22/569308422.db2.gz UVABTWXDNHABBS-UHFFFAOYSA-N 0 0 440.500 2.687 50 0 IFAARN CC(C)CCN(C(=O)CN(C)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013069053 569308849 /nfs/dbraw/zinc/30/88/49/569308849.db2.gz CMWGQOYMGNFMLL-UHFFFAOYSA-N 0 0 449.555 2.683 50 0 IFAARN CCOc1ccccc1OCCC(=O)OCC(=O)Nc1cc2c(cc1C(C)=O)OCO2 ZINC000013109351 569310273 /nfs/dbraw/zinc/31/02/73/569310273.db2.gz FJKJVRYQRAPFKB-UHFFFAOYSA-N 0 0 429.425 2.967 50 0 IFAARN Cc1cc(C)n2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)nc2n1 ZINC000013145323 569311741 /nfs/dbraw/zinc/31/17/41/569311741.db2.gz MFJYDMDZQMGLMR-OKILXGFUSA-N 0 0 442.545 2.660 50 0 IFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O ZINC000013163966 569312319 /nfs/dbraw/zinc/31/23/19/569312319.db2.gz CVIMZBMTLRYEOC-LJQANCHMSA-N 0 0 435.358 2.943 50 0 IFAARN COc1cc2c(cc1OC)CN([C@H](C)C(=O)Nc1sc3c(c1C(N)=O)CCC3)CC2 ZINC000013163358 569312394 /nfs/dbraw/zinc/31/23/94/569312394.db2.gz JNWALABNXIDICB-GFCCVEGCSA-N 0 0 429.542 2.738 50 0 IFAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000013356507 569313630 /nfs/dbraw/zinc/31/36/30/569313630.db2.gz QONSRVJDATVNBC-HXUWFJFHSA-N 0 0 448.545 2.938 50 0 IFAARN CNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000013357307 569313724 /nfs/dbraw/zinc/31/37/24/569313724.db2.gz GFDLISKNQWDBHP-UHFFFAOYSA-N 0 0 435.933 2.739 50 0 IFAARN COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)Nc4cc(C)on4)C3)n2)cc1OC ZINC000013367159 569314314 /nfs/dbraw/zinc/31/43/14/569314314.db2.gz VFTBRCDWOSYCBL-OAHLLOKOSA-N 0 0 427.461 2.901 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CC(=O)N(CCc1ccccn1)Cc1ccncc1)C2=O ZINC000328591386 569316970 /nfs/dbraw/zinc/31/69/70/569316970.db2.gz YIOXMCQFXZZONO-UHFFFAOYSA-N 0 0 435.528 2.753 50 0 IFAARN Cc1nnc(SCC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)n1-c1cc(C)ccc1C ZINC000328592435 569317209 /nfs/dbraw/zinc/31/72/09/569317209.db2.gz IGBKSJJXRWZNJR-DFQSSKMNSA-N 0 0 430.574 2.673 50 0 IFAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N(C[C@H]1CCCO1)c1ccc(Br)cn1 ZINC000328593929 569317446 /nfs/dbraw/zinc/31/74/46/569317446.db2.gz AVQXHDRSRQLGRX-GFCCVEGCSA-N 0 0 449.758 2.914 50 0 IFAARN CN(C)C(=O)c1cccc(NS(=O)(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)c1 ZINC000328595994 569317831 /nfs/dbraw/zinc/31/78/31/569317831.db2.gz MRACSAZTDIRMRW-IBGZPJMESA-N 0 0 431.514 2.541 50 0 IFAARN COc1cccc(CN(C)C(=O)c2cc(F)cc(S(N)(=O)=O)c2Br)c1 ZINC000078803225 569319008 /nfs/dbraw/zinc/31/90/08/569319008.db2.gz IDZWXHPQQQRTBJ-UHFFFAOYSA-N 0 0 431.283 2.516 50 0 IFAARN O=C(CCN1CCN(CC(=O)N2CCCc3ccccc32)CC1)NCC1CCCCC1 ZINC000078802941 569319056 /nfs/dbraw/zinc/31/90/56/569319056.db2.gz OMAMQMMYSFHVAR-UHFFFAOYSA-N 0 0 426.605 2.670 50 0 IFAARN CCN(C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)[C@@H](C)CS(=O)(=O)CC ZINC000078808725 569319204 /nfs/dbraw/zinc/31/92/04/569319204.db2.gz CQYKBJFNXDTDGB-LBPRGKRZSA-N 0 0 433.456 2.963 50 0 IFAARN O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000078820765 569319277 /nfs/dbraw/zinc/31/92/77/569319277.db2.gz VIBHBWAZVMEOGF-CYBMUJFWSA-N 0 0 440.378 2.684 50 0 IFAARN COc1ccc(C(=O)NC[C@@H]2CCC[C@H](O)C2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000078875075 569319760 /nfs/dbraw/zinc/31/97/60/569319760.db2.gz OIELMUHWJOVRFQ-MTNOOBJLSA-N 0 0 438.590 2.643 50 0 IFAARN CC(C)(C)c1nc(CN2CCCN(C(=O)CCCNC(=O)NC3CCCCC3)CC2)no1 ZINC000078878739 569320010 /nfs/dbraw/zinc/32/00/10/569320010.db2.gz QLPLDPFIHZXBTN-UHFFFAOYSA-N 0 0 448.612 2.814 50 0 IFAARN O=C(CSc1ccc2ccccc2c1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000078902779 569320096 /nfs/dbraw/zinc/32/00/96/569320096.db2.gz GOYJXVNEAKDMFA-UHFFFAOYSA-N 0 0 431.539 2.594 50 0 IFAARN O=C(COc1ccccc1)N1CCC(C(=O)NCCc2nnc(-c3ccccc3)o2)CC1 ZINC000078976170 569321201 /nfs/dbraw/zinc/32/12/01/569321201.db2.gz LRUSTHWHOFPYDD-UHFFFAOYSA-N 0 0 434.496 2.713 50 0 IFAARN Cc1ccc(CNC(=O)CS(=O)(=O)c2nnc(C3CC3)n2Cc2ccccc2)cc1F ZINC000079024199 569322638 /nfs/dbraw/zinc/32/26/38/569322638.db2.gz LKELUDCBCSGHIC-UHFFFAOYSA-N 0 0 442.516 2.741 50 0 IFAARN COc1ccc(CN2C[C@@H](C(=O)N[C@@H](C)c3noc(Cc4ccccc4)n3)CC2=O)cc1 ZINC000079024927 569322829 /nfs/dbraw/zinc/32/28/29/569322829.db2.gz KYVLJVZEZRNCPW-LPHOPBHVSA-N 0 0 434.496 2.895 50 0 IFAARN COc1cc(NC2CCN(CC(=O)NC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc(OC)c1 ZINC000079025629 569322833 /nfs/dbraw/zinc/32/28/33/569322833.db2.gz OHIRDJRIRPLWGE-IERDGZPVSA-N 0 0 432.565 2.985 50 0 IFAARN CCC(CC)[C@H](CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCOCC1 ZINC000079051543 569323424 /nfs/dbraw/zinc/32/34/24/569323424.db2.gz ISYUKOAQSKVSSN-SFHVURJKSA-N 0 0 432.533 2.691 50 0 IFAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccccc3)oc1C)c(=O)n2C ZINC000019625619 569323783 /nfs/dbraw/zinc/32/37/83/569323783.db2.gz FVFYELWSCMMKEQ-UHFFFAOYSA-N 0 0 434.452 2.592 50 0 IFAARN NS(=O)(=O)Cc1cccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)c1 ZINC000079072168 569324533 /nfs/dbraw/zinc/32/45/33/569324533.db2.gz VLTVUPPXXFXGQQ-IBGZPJMESA-N 0 0 430.551 2.913 50 0 IFAARN O=C(CN1CCS(=O)(=O)CC1)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 ZINC000079096649 569325394 /nfs/dbraw/zinc/32/53/94/569325394.db2.gz WZIZHIVYZBYZFS-UHFFFAOYSA-N 0 0 441.475 2.986 50 0 IFAARN CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000079098239 569325398 /nfs/dbraw/zinc/32/53/98/569325398.db2.gz CNFPCTAJPZPUPH-UHFFFAOYSA-N 0 0 436.534 2.708 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)nn1-c1ccccc1F ZINC000079107340 569325860 /nfs/dbraw/zinc/32/58/60/569325860.db2.gz IDDSJOAOWHQBRE-UHFFFAOYSA-N 0 0 433.436 2.616 50 0 IFAARN COc1cc2cc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC ZINC000019769988 569329289 /nfs/dbraw/zinc/32/92/89/569329289.db2.gz PJHGPEIPYFCDEA-UHFFFAOYSA-N 0 0 439.487 2.966 50 0 IFAARN COC(=O)c1ccc2[nH]c(C)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 ZINC000019793711 569329356 /nfs/dbraw/zinc/32/93/56/569329356.db2.gz WQXSADXRJJRCEG-UHFFFAOYSA-N 0 0 449.507 2.670 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000019797327 569329638 /nfs/dbraw/zinc/32/96/38/569329638.db2.gz AWOLLVJRDLEQGX-OAQYLSRUSA-N 0 0 446.550 2.892 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)nc3)CC2=O)cc1 ZINC000079481485 569330843 /nfs/dbraw/zinc/33/08/43/569330843.db2.gz PFLYHAMVMOROLT-MRXNPFEDSA-N 0 0 446.463 2.973 50 0 IFAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000079480979 569330866 /nfs/dbraw/zinc/33/08/66/569330866.db2.gz AUUVXUVEXKJBAD-AWEZNQCLSA-N 0 0 435.937 2.525 50 0 IFAARN O=C(CC1(Cn2cnnn2)CCCCC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000079501758 569331511 /nfs/dbraw/zinc/33/15/11/569331511.db2.gz RBVPVZZZEUGEIZ-UHFFFAOYSA-N 0 0 437.470 2.776 50 0 IFAARN COc1ccc(CN2CC(=O)N(CCCN3CCCC3=O)C[C@H](OC)C2)c2ccccc12 ZINC000019939600 569332146 /nfs/dbraw/zinc/33/21/46/569332146.db2.gz GHFWHBNFJOMARG-HXUWFJFHSA-N 0 0 439.556 2.520 50 0 IFAARN O=C(NCCSCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000020061973 569333088 /nfs/dbraw/zinc/33/30/88/569333088.db2.gz GUOQHOWDJFTXNC-UHFFFAOYSA-N 0 0 444.962 2.617 50 0 IFAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCC2)cc1Br ZINC000020068961 569333090 /nfs/dbraw/zinc/33/30/90/569333090.db2.gz DQPDXOMPBLNGMH-GJZGRUSLSA-N 0 0 438.351 2.739 50 0 IFAARN CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCCOC)cc1 ZINC000020069157 569333149 /nfs/dbraw/zinc/33/31/49/569333149.db2.gz QQOHRMSEXPYEHP-RTBURBONSA-N 0 0 439.541 2.866 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2)c3=O)CC1 ZINC000020102239 569333932 /nfs/dbraw/zinc/33/39/32/569333932.db2.gz DHTZZHHJYQSVBC-UHFFFAOYSA-N 0 0 438.509 2.589 50 0 IFAARN CCCCN(CC)C(=O)CNC(=S)N(CCCN1CCOCC1)Cc1cccs1 ZINC000020107572 569334245 /nfs/dbraw/zinc/33/42/45/569334245.db2.gz GWIRLCUHSQXGCC-UHFFFAOYSA-N 0 0 440.679 2.796 50 0 IFAARN CC(=O)NCCN1C(=S)N(c2ccc(C)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 ZINC000020114863 569334951 /nfs/dbraw/zinc/33/49/51/569334951.db2.gz CNEKJAMNBIRCSK-IBGZPJMESA-N 0 0 442.516 2.601 50 0 IFAARN CC(=O)NCCN1C(=S)N(c2cccc(Cl)c2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000020114882 569334982 /nfs/dbraw/zinc/33/49/82/569334982.db2.gz UGTKUZVFWWVXBI-SFHVURJKSA-N 0 0 444.944 2.807 50 0 IFAARN CC(=O)NCCN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000020115044 569335004 /nfs/dbraw/zinc/33/50/04/569335004.db2.gz VMNZSEDDIDSEBM-SFHVURJKSA-N 0 0 444.944 2.807 50 0 IFAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000390828494 569353939 /nfs/dbraw/zinc/35/39/39/569353939.db2.gz BFNIHJAFBKHXMF-KRWDZBQOSA-N 0 0 439.493 2.923 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)c(C)c1 ZINC000390831556 569354364 /nfs/dbraw/zinc/35/43/64/569354364.db2.gz SMVHZBIOSZGUMR-FQEVSTJZSA-N 0 0 436.555 2.504 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)NC(=O)c2cc3c(cc(OC)cc3OC)n2C)cc1 ZINC000094992915 569355841 /nfs/dbraw/zinc/35/58/41/569355841.db2.gz FZPKXZDWACNADS-CQSZACIVSA-N 0 0 425.485 2.639 50 0 IFAARN CC[C@@H](C)NC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000020240404 569357694 /nfs/dbraw/zinc/35/76/94/569357694.db2.gz LWOMMUHQCCCBNP-MRXNPFEDSA-N 0 0 433.574 2.970 50 0 IFAARN CCn1cc(C(=O)NCc2cccs2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000020240363 569357778 /nfs/dbraw/zinc/35/77/78/569357778.db2.gz UVONJHRYYREQNE-UHFFFAOYSA-N 0 0 445.566 2.797 50 0 IFAARN Cc1oc(-c2cccc(C)c2)nc1C[S@@](=O)CC(=O)N1CCN(c2ccccn2)CC1 ZINC000020241478 569358008 /nfs/dbraw/zinc/35/80/08/569358008.db2.gz PZOGHERDSVKDKB-HKBQPEDESA-N 0 0 438.553 2.951 50 0 IFAARN CCN1c2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2[S@](=O)c2ccccc2C1=O ZINC000020242861 569358354 /nfs/dbraw/zinc/35/83/54/569358354.db2.gz XCNJBOJIHJLIRS-HKBQPEDESA-N 0 0 440.521 2.813 50 0 IFAARN CCOc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281380 569358725 /nfs/dbraw/zinc/35/87/25/569358725.db2.gz CFGBVGWULAGGRJ-OAHLLOKOSA-N 0 0 432.527 2.882 50 0 IFAARN COc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc(OC)c1 ZINC000020281131 569358812 /nfs/dbraw/zinc/35/88/12/569358812.db2.gz KWMNRSWORKQHGA-MRXNPFEDSA-N 0 0 448.526 2.500 50 0 IFAARN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020308202 569359482 /nfs/dbraw/zinc/35/94/82/569359482.db2.gz DIOKKQYCIXAFOX-QFIPXVFZSA-N 0 0 434.492 2.987 50 0 IFAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccncc2)N1CCN1CCOCC1 ZINC000020308818 569359625 /nfs/dbraw/zinc/35/96/25/569359625.db2.gz YDWGGDIUMCNYJD-IBGZPJMESA-N 0 0 425.872 2.719 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000020323341 569360349 /nfs/dbraw/zinc/36/03/49/569360349.db2.gz YXPCYDPEESOMCZ-IAGOWNOFSA-N 0 0 449.573 2.520 50 0 IFAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCCCC4)C3)cc2oc1=O ZINC000020326707 569360546 /nfs/dbraw/zinc/36/05/46/569360546.db2.gz JKZRHYUGHHDUDE-INIZCTEOSA-N 0 0 449.573 2.761 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccccc1C ZINC000020328454 569360614 /nfs/dbraw/zinc/36/06/14/569360614.db2.gz SGJQPPIYCFOBHU-HXUWFJFHSA-N 0 0 428.510 2.948 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCCCCC1)C(=O)CS2 ZINC000020355653 569361406 /nfs/dbraw/zinc/36/14/06/569361406.db2.gz JFUVVVIHTRWIBB-UHFFFAOYSA-N 0 0 439.603 2.558 50 0 IFAARN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000095347393 569361466 /nfs/dbraw/zinc/36/14/66/569361466.db2.gz BYKKGBNZQFIPFJ-MRXNPFEDSA-N 0 0 435.553 2.788 50 0 IFAARN CC(C)[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccncc1 ZINC000080336745 569362434 /nfs/dbraw/zinc/36/24/34/569362434.db2.gz BVYOSNJEBBNPGR-HXUWFJFHSA-N 0 0 429.952 2.908 50 0 IFAARN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cc(S(C)(=O)=O)ccc3F)CCC2)cc1 ZINC000095373473 569362861 /nfs/dbraw/zinc/36/28/61/569362861.db2.gz JCEVQSCZHOEPTO-UHFFFAOYSA-N 0 0 425.503 2.873 50 0 IFAARN Cc1c(NC(=O)NCCCN2CCOCC2)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 ZINC000020385525 569362969 /nfs/dbraw/zinc/36/29/69/569362969.db2.gz OVTVJQRGPAZMHO-CQSZACIVSA-N 0 0 433.578 2.583 50 0 IFAARN COC(=O)c1cc2c(cc1NC(=O)c1ccc3c(c1)nc1n(c3=O)CCCCC1)OCO2 ZINC000020414539 569364306 /nfs/dbraw/zinc/36/43/06/569364306.db2.gz GCSNWIMNJZOGHT-UHFFFAOYSA-N 0 0 435.436 2.891 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1cccc(F)c1 ZINC000095406577 569364836 /nfs/dbraw/zinc/36/48/36/569364836.db2.gz BYKKWYGMDCSGMC-UHFFFAOYSA-N 0 0 426.535 2.998 50 0 IFAARN Cc1c2cnn(CC(=O)NC[C@@H]3CCCO3)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000020417693 569365015 /nfs/dbraw/zinc/36/50/15/569365015.db2.gz LYAHSVHMFUTRDU-KRWDZBQOSA-N 0 0 428.920 2.812 50 0 IFAARN O=C(c1ccccc1Cl)N1CCC[C@H](c2nc3c(nnn3Cc3ccco3)c(=O)[nH]2)C1 ZINC000020440405 569365728 /nfs/dbraw/zinc/36/57/28/569365728.db2.gz LHVVARDBLAJLQK-ZDUSSCGKSA-N 0 0 438.875 2.829 50 0 IFAARN C[C@H](NC(=O)CN1CCN(c2nccn3cnnc23)[C@H](C)C1)c1cccc2ccccc21 ZINC000095432347 569366285 /nfs/dbraw/zinc/36/62/85/569366285.db2.gz VGZDXPCHLSSYJO-MSOLQXFVSA-N 0 0 429.528 2.665 50 0 IFAARN O=C(N[C@@H]1CCCC[C@@H]1CO)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000095443383 569366813 /nfs/dbraw/zinc/36/68/13/569366813.db2.gz FGVWWODJKOEKSN-IFMALSPDSA-N 0 0 430.570 2.908 50 0 IFAARN CCOc1cc(CNc2cccnc2N2CCC(O)CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000095443033 569366849 /nfs/dbraw/zinc/36/68/49/569366849.db2.gz SKKHLWGBKCKGNJ-KRWDZBQOSA-N 0 0 442.560 2.909 50 0 IFAARN Cc1ncsc1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000095444182 569367059 /nfs/dbraw/zinc/36/70/59/569367059.db2.gz HCVOKSDAGPAVBR-HOTGVXAUSA-N 0 0 436.578 2.819 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)COC(=O)C(C)(C)c3cccnc3)CC2)c(F)c1 ZINC000095454623 569368420 /nfs/dbraw/zinc/36/84/20/569368420.db2.gz JMLGEWUNXLGDIC-UHFFFAOYSA-N 0 0 427.476 2.593 50 0 IFAARN Cc1cccc(N2CCN(CCN(CC(=O)Nc3ccccc3C(N)=O)CC3CC3)CC2)c1 ZINC000095456045 569368717 /nfs/dbraw/zinc/36/87/17/569368717.db2.gz CTGBEMAWMGWCGB-UHFFFAOYSA-N 0 0 449.599 2.567 50 0 IFAARN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000095458131 569369070 /nfs/dbraw/zinc/36/90/70/569369070.db2.gz HPAGTDHZHSJOPE-SZNDQCEHSA-N 0 0 436.505 2.589 50 0 IFAARN O=S(=O)(c1ccc(F)cc1Br)N1CCN(c2cc(Cl)ncn2)CC1 ZINC000095458372 569369258 /nfs/dbraw/zinc/36/92/58/569369258.db2.gz DLUYIBVARJOZFG-UHFFFAOYSA-N 0 0 435.706 2.543 50 0 IFAARN O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000095459230 569369382 /nfs/dbraw/zinc/36/93/82/569369382.db2.gz BCZWGPYRCXINJL-RBUKOAKNSA-N 0 0 435.446 2.981 50 0 IFAARN COCCn1nc(C)c(NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)c1C ZINC000095461432 569369922 /nfs/dbraw/zinc/36/99/22/569369922.db2.gz BFQFTFOLRKCTOA-UHFFFAOYSA-N 0 0 439.520 2.602 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@H]3CCCN3[C@]13c1ccccc1NC3=O)OCO2 ZINC000020513303 569370317 /nfs/dbraw/zinc/37/03/17/569370317.db2.gz LXBLBBMTEWXEOZ-DJJPGOOVSA-N 0 0 433.464 2.888 50 0 IFAARN COc1cccc([C@@H]2[C@H](C(=O)N[C@@H](C)C(=O)NCc3ccccc3)CC(=O)N2C2CC2)c1 ZINC000095463665 569370320 /nfs/dbraw/zinc/37/03/20/569370320.db2.gz OOKYKCHLJIJJKX-POCHDABASA-N 0 0 435.524 2.568 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC(Oc3ccc(C)cn3)CC2)cc1 ZINC000095464897 569370675 /nfs/dbraw/zinc/37/06/75/569370675.db2.gz WQDOXDHNVLIUAH-UHFFFAOYSA-N 0 0 447.557 2.527 50 0 IFAARN CN(C(=O)COC(=O)CSc1ccncc1)c1ccccc1C(=O)NCc1ccco1 ZINC000095466497 569370918 /nfs/dbraw/zinc/37/09/18/569370918.db2.gz GLVKIMALPVSYOV-UHFFFAOYSA-N 0 0 439.493 2.903 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc(-c4cccnc4)cs3)C2=O)cc1 ZINC000095472332 569372141 /nfs/dbraw/zinc/37/21/41/569372141.db2.gz ISKVUWMXNWCBHH-MRXNPFEDSA-N 0 0 437.481 2.663 50 0 IFAARN COc1ccccc1-c1ccc(=O)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000095473094 569372286 /nfs/dbraw/zinc/37/22/86/569372286.db2.gz GGJSETHVHZQDPF-UHFFFAOYSA-N 0 0 438.915 2.921 50 0 IFAARN CC1(C)C[C@H](NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc43)C2)CCO1 ZINC000095473248 569372357 /nfs/dbraw/zinc/37/23/57/569372357.db2.gz KRBCPYPKTBOXHA-WCQYABFASA-N 0 0 435.322 2.752 50 0 IFAARN COc1ccc(C(=O)CNC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 ZINC000095472856 569372372 /nfs/dbraw/zinc/37/23/72/569372372.db2.gz ACUZCNFXUMPPOA-UHFFFAOYSA-N 0 0 436.917 2.891 50 0 IFAARN CC1(C)C[C@H](NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc43)C2)CCO1 ZINC000095473246 569372378 /nfs/dbraw/zinc/37/23/78/569372378.db2.gz KRBCPYPKTBOXHA-DGCLKSJQSA-N 0 0 435.322 2.752 50 0 IFAARN CSCC[C@H](NC(=O)[C@@H]1CCCN(c2nc(C)cc(C)n2)C1)c1nnc2ccccn21 ZINC000095474042 569372464 /nfs/dbraw/zinc/37/24/64/569372464.db2.gz FIROJLYMDIRMDX-MSOLQXFVSA-N 0 0 439.589 2.963 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc4c(s3)CCCCC4)C2=O)cc1 ZINC000095473840 569372470 /nfs/dbraw/zinc/37/24/70/569372470.db2.gz ZSVSBLJBBDCMOU-INIZCTEOSA-N 0 0 428.514 2.870 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cnc4cc(OC)ccc4c3)C2=O)cc1 ZINC000095476660 569373043 /nfs/dbraw/zinc/37/30/43/569373043.db2.gz GDASMEXQOGZEFV-HXUWFJFHSA-N 0 0 434.452 2.906 50 0 IFAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000095476556 569373059 /nfs/dbraw/zinc/37/30/59/569373059.db2.gz UOTRLORTAPPGRE-SFHVURJKSA-N 0 0 432.484 2.616 50 0 IFAARN COc1cc2nc(C)n(CCNC(=O)c3ccc(Br)o3)c(=O)c2cc1OC ZINC000095479795 569373772 /nfs/dbraw/zinc/37/37/72/569373772.db2.gz NJMKAGIEQJQRSQ-UHFFFAOYSA-N 0 0 436.262 2.508 50 0 IFAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCSC3CCCCC3)c2)CC1 ZINC000095482540 569374469 /nfs/dbraw/zinc/37/44/69/569374469.db2.gz YLIXYHZJIYUTNV-UHFFFAOYSA-N 0 0 439.647 2.809 50 0 IFAARN CC[NH+](CC)CCNC(=O)CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000020644187 569374881 /nfs/dbraw/zinc/37/48/81/569374881.db2.gz CHEAHOBEUSXKFB-UHFFFAOYSA-N 0 0 441.395 2.686 50 0 IFAARN O=C(CCCCCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NCCC[NH+]1CCCC1 ZINC000020644401 569374893 /nfs/dbraw/zinc/37/48/93/569374893.db2.gz OKHSPDRJGIPYCC-UHFFFAOYSA-N 0 0 446.573 2.950 50 0 IFAARN COC(=O)c1cn(C2CCN(Cc3ccc(OC)c(OC)c3Br)CC2)nn1 ZINC000095940225 569375251 /nfs/dbraw/zinc/37/52/51/569375251.db2.gz FJNKZLRAHCSVHZ-UHFFFAOYSA-N 0 0 439.310 2.682 50 0 IFAARN Cn1cc(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)c(C(F)(F)F)n1 ZINC000095973360 569377467 /nfs/dbraw/zinc/37/74/67/569377467.db2.gz AFXRUAIAGBYWGR-UHFFFAOYSA-N 0 0 440.241 2.755 50 0 IFAARN CS(=O)(=O)c1ccc(OCc2ccc(C(=O)N[C@H]3CCN(c4ccccn4)C3)o2)cc1 ZINC000095973453 569377485 /nfs/dbraw/zinc/37/74/85/569377485.db2.gz HBMNTYFKDZTDJN-INIZCTEOSA-N 0 0 441.509 2.666 50 0 IFAARN CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](CO)c2cccc(Br)c2)c1 ZINC000095983354 569377907 /nfs/dbraw/zinc/37/79/07/569377907.db2.gz RISCOOJURKLOBM-KRWDZBQOSA-N 0 0 441.347 2.519 50 0 IFAARN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCCOc3ccc(C)cc32)s1 ZINC000095995694 569378552 /nfs/dbraw/zinc/37/85/52/569378552.db2.gz ACLXBEOHMUFDDW-UHFFFAOYSA-N 0 0 444.600 2.516 50 0 IFAARN CC(=O)NCCN(C(=O)c1ccn(-c2cccc(Cl)c2)n1)[C@H](C)C(=O)OC(C)(C)C ZINC000096004668 569379334 /nfs/dbraw/zinc/37/93/34/569379334.db2.gz KQWDFFDOAKYWFO-CQSZACIVSA-N 0 0 434.924 2.834 50 0 IFAARN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Cc3csc(N4CCCC4=O)n3)C[C@@H]21 ZINC000096010140 569379619 /nfs/dbraw/zinc/37/96/19/569379619.db2.gz YGVIWKXTFDOOSJ-HYVNUMGLSA-N 0 0 448.589 2.964 50 0 IFAARN Cc1cc(C2CCN(S(=O)(=O)c3cc4c(cc3Br)OCCO4)CC2)[nH]n1 ZINC000096008926 569379668 /nfs/dbraw/zinc/37/96/68/569379668.db2.gz HFZVJEFSUZEGBB-UHFFFAOYSA-N 0 0 442.335 2.820 50 0 IFAARN C[C@H](CNc1nc(NC[C@H](C)N2CCOCC2)nc2ccc(Cl)cc21)N1CCOCC1 ZINC000096011509 569379859 /nfs/dbraw/zinc/37/98/59/569379859.db2.gz QEOBSEGABWBLTI-SJORKVTESA-N 0 0 448.999 2.548 50 0 IFAARN O=c1ccc(-n2ccc3ccccc32)nn1CCNS(=O)(=O)Cc1cc(F)ccc1F ZINC000096025230 569380618 /nfs/dbraw/zinc/38/06/18/569380618.db2.gz WBBHLCLAQBBUNM-UHFFFAOYSA-N 0 0 444.463 2.585 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)c2c1 ZINC000096094834 569381009 /nfs/dbraw/zinc/38/10/09/569381009.db2.gz MNZXROZXZQUAAA-UHFFFAOYSA-N 0 0 429.480 2.737 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC/C=C(\C)C(=O)OC)o2)c1 ZINC000096035788 569381049 /nfs/dbraw/zinc/38/10/49/569381049.db2.gz XACBNCBRUXWOIT-JLHYYAGUSA-N 0 0 425.532 2.979 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)Nc1nc2c(s1)CN(S(=O)(=O)N(C)C)CC2 ZINC000096096391 569381218 /nfs/dbraw/zinc/38/12/18/569381218.db2.gz OECMTSZIMYXGEC-UHFFFAOYSA-N 0 0 445.954 2.614 50 0 IFAARN O=c1n(CCNS(=O)(=O)c2ccc(F)c(Cl)c2)nc(-c2cccs2)n1C1CC1 ZINC000096096684 569381291 /nfs/dbraw/zinc/38/12/91/569381291.db2.gz WCIMILKYFDRTLY-UHFFFAOYSA-N 0 0 442.925 2.879 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cc1 ZINC000096098364 569381515 /nfs/dbraw/zinc/38/15/15/569381515.db2.gz NJTGNOLMOQKYOA-UHFFFAOYSA-N 0 0 439.515 2.514 50 0 IFAARN Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000096104194 569382164 /nfs/dbraw/zinc/38/21/64/569382164.db2.gz XPLFHYUAPYMPHB-UHFFFAOYSA-N 0 0 431.345 2.519 50 0 IFAARN Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc(OC(F)(F)F)cc2)o1 ZINC000096116677 569383838 /nfs/dbraw/zinc/38/38/38/569383838.db2.gz VPJRLWAWUHFYAG-HNNXBMFYSA-N 0 0 427.375 2.933 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc1 ZINC000096121520 569385083 /nfs/dbraw/zinc/38/50/83/569385083.db2.gz PKWWGQULAFEHMW-UHFFFAOYSA-N 0 0 440.525 2.589 50 0 IFAARN O=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000096122145 569385167 /nfs/dbraw/zinc/38/51/67/569385167.db2.gz HJCWXIMZVVPLIK-UHFFFAOYSA-N 0 0 443.852 2.940 50 0 IFAARN CO[C@](C)(CNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccccc1F ZINC000096123643 569385301 /nfs/dbraw/zinc/38/53/01/569385301.db2.gz JRPDZXSYIURVCT-HSZRJFAPSA-N 0 0 427.476 2.959 50 0 IFAARN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCCNC(=O)c3ccco3)C2=O)cc1 ZINC000096124558 569385487 /nfs/dbraw/zinc/38/54/87/569385487.db2.gz ZIIVUVVBMOMTHP-NBVRZTHBSA-N 0 0 441.509 2.951 50 0 IFAARN COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)NCCc2c[nH]c3ccccc23)C1=O ZINC000096221190 569386913 /nfs/dbraw/zinc/38/69/13/569386913.db2.gz IELCYUZEEGFAHS-FQEVSTJZSA-N 0 0 434.496 2.736 50 0 IFAARN CC(C)Cn1c(CNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 ZINC000096222849 569387288 /nfs/dbraw/zinc/38/72/88/569387288.db2.gz CVNBOAFKBPGBMF-IBGZPJMESA-N 0 0 433.512 2.839 50 0 IFAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCCO2)NCCN1CCOCC1 ZINC000096276271 569388517 /nfs/dbraw/zinc/38/85/17/569388517.db2.gz YYAXKFLSSJTLNI-FQEVSTJZSA-N 0 0 435.524 2.910 50 0 IFAARN CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)C(C)C ZINC000096280107 569389599 /nfs/dbraw/zinc/38/95/99/569389599.db2.gz UKITVPWFYYBJEX-UHFFFAOYSA-N 0 0 439.560 2.695 50 0 IFAARN O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000096280910 569389657 /nfs/dbraw/zinc/38/96/57/569389657.db2.gz WKRJRJVUAGORFI-UHFFFAOYSA-N 0 0 429.480 2.764 50 0 IFAARN CCOC(=O)[C@@H](C)n1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccccc1C ZINC000096281300 569389780 /nfs/dbraw/zinc/38/97/80/569389780.db2.gz NETTUWWXJZMQLY-QGZVFWFLSA-N 0 0 432.480 2.830 50 0 IFAARN CC(C)NC(=O)[C@]1(OCc2ccc(F)cc2F)C[C@@H](O)[C@@H](O)[C@H](OCc2ccccc2)C1 ZINC000096287801 569390298 /nfs/dbraw/zinc/39/02/98/569390298.db2.gz TYOZWVSSRSPNGI-AZKZNFPZSA-N 0 0 449.494 2.846 50 0 IFAARN COCCn1c(SCc2ccccc2C(=O)N2CCOCC2)nnc1-c1ccco1 ZINC000096287102 569390353 /nfs/dbraw/zinc/39/03/53/569390353.db2.gz IYBPIBMRWKBTQV-UHFFFAOYSA-N 0 0 428.514 2.949 50 0 IFAARN COCCn1c(SCc2ccc(C(=O)N3CCOCC3)cc2)nnc1-c1ccco1 ZINC000096289648 569390783 /nfs/dbraw/zinc/39/07/83/569390783.db2.gz MXXVCKDYMOQSRI-UHFFFAOYSA-N 0 0 428.514 2.949 50 0 IFAARN COc1cc(/C=C\C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)ccc1OCC(N)=O ZINC000096315852 569392791 /nfs/dbraw/zinc/39/27/91/569392791.db2.gz AMZYXYGNVSXJEX-LUAWRHEFSA-N 0 0 446.463 2.859 50 0 IFAARN COCc1nc(C)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1cccc(OC)c1 ZINC000096317524 569393516 /nfs/dbraw/zinc/39/35/16/569393516.db2.gz RWNIQMXOIRBBPQ-UHFFFAOYSA-N 0 0 427.549 2.771 50 0 IFAARN Cc1[nH]c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000096320058 569394025 /nfs/dbraw/zinc/39/40/25/569394025.db2.gz KLJUJUUJSXRJDU-UHFFFAOYSA-N 0 0 447.435 2.803 50 0 IFAARN O=C1C[C@@H](c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CN1C1CCCC1 ZINC000096321986 569394247 /nfs/dbraw/zinc/39/42/47/569394247.db2.gz FGICJFRIDZVWHL-MRXNPFEDSA-N 0 0 430.530 2.780 50 0 IFAARN O=c1oc2cc(S(=O)(=O)NC3CCCCC3)ccc2n1Cc1noc(C2CCC2)n1 ZINC000096322164 569394378 /nfs/dbraw/zinc/39/43/78/569394378.db2.gz CKUSBAJSUQLDMR-UHFFFAOYSA-N 0 0 432.502 2.904 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2nc3c4cc(-c5ccccc5)nn4ccn3c2=O)cc1 ZINC000096322454 569394557 /nfs/dbraw/zinc/39/45/57/569394557.db2.gz ZPQMLDYLKAFNAX-UHFFFAOYSA-N 0 0 426.436 2.652 50 0 IFAARN CC(C)c1ccc(-c2cc3c4nn(CC(=O)NCc5ccco5)c(=O)n4ccn3n2)cc1 ZINC000096322553 569394717 /nfs/dbraw/zinc/39/47/17/569394717.db2.gz ITJASIXWEFHABD-UHFFFAOYSA-N 0 0 430.468 2.844 50 0 IFAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c1C ZINC000096323292 569395124 /nfs/dbraw/zinc/39/51/24/569395124.db2.gz CGXUNQWYKOQBNB-UHFFFAOYSA-N 0 0 445.372 2.973 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000096323230 569395125 /nfs/dbraw/zinc/39/51/25/569395125.db2.gz FKJDWWZTMFGAFB-UHFFFAOYSA-N 0 0 444.601 2.961 50 0 IFAARN CC[C@H](C)NS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC ZINC000096324011 569395581 /nfs/dbraw/zinc/39/55/81/569395581.db2.gz YEZRSPWBYCVODM-LBPRGKRZSA-N 0 0 432.502 2.590 50 0 IFAARN CCCCN(C)S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC ZINC000096324017 569395647 /nfs/dbraw/zinc/39/56/47/569395647.db2.gz JELROHFTNADWHS-UHFFFAOYSA-N 0 0 446.529 2.934 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1OC ZINC000096324194 569395714 /nfs/dbraw/zinc/39/57/14/569395714.db2.gz IINNISWPASZWJV-UHFFFAOYSA-N 0 0 448.523 2.829 50 0 IFAARN COc1ccc(OC)c(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)c1 ZINC000096324683 569395973 /nfs/dbraw/zinc/39/59/73/569395973.db2.gz VUCHSQCDTFQNQO-UHFFFAOYSA-N 0 0 435.484 2.980 50 0 IFAARN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000096324927 569396179 /nfs/dbraw/zinc/39/61/79/569396179.db2.gz VRQCQDGWIYUUNK-UHFFFAOYSA-N 0 0 440.301 2.832 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(c3n[nH]c4cccc(F)c43)C1)CC2 ZINC000096345410 569397172 /nfs/dbraw/zinc/39/71/72/569397172.db2.gz RFUMHEJDQFUJLK-OAHLLOKOSA-N 0 0 438.459 2.657 50 0 IFAARN COc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2Cc2ccco2)cc1Cl ZINC000096347329 569397274 /nfs/dbraw/zinc/39/72/74/569397274.db2.gz WPPUCUOABNANMM-UHFFFAOYSA-N 0 0 439.859 2.657 50 0 IFAARN Cc1c(NC(=O)c2cc3c(nc4ccc(C)cn4c3=O)n2C)c(=O)n(-c2ccccc2)n1C ZINC000096347393 569397305 /nfs/dbraw/zinc/39/73/05/569397305.db2.gz IQYUNSVCVPXRSW-UHFFFAOYSA-N 0 0 442.479 2.545 50 0 IFAARN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000096357227 569397349 /nfs/dbraw/zinc/39/73/49/569397349.db2.gz GJPYCCGKJJCYLE-UHFFFAOYSA-N 0 0 434.537 2.651 50 0 IFAARN O=C(Cn1c2cccnc2n(-c2ccccc2)c1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000096385440 569398268 /nfs/dbraw/zinc/39/82/68/569398268.db2.gz XMADGVNUHXNZMK-UHFFFAOYSA-N 0 0 429.480 2.663 50 0 IFAARN Cc1cc(N2CC[C@H](NS(=O)(=O)c3ccccc3Br)C2=O)ccc1F ZINC000096396348 569399012 /nfs/dbraw/zinc/39/90/12/569399012.db2.gz KAPOKSKYRLGZHW-HNNXBMFYSA-N 0 0 427.295 2.980 50 0 IFAARN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccccc3Br)C2=O)cc1 ZINC000096396190 569399032 /nfs/dbraw/zinc/39/90/32/569399032.db2.gz PWPJWRJRURFRNQ-HNNXBMFYSA-N 0 0 425.304 2.542 50 0 IFAARN CCCCN1CCN(C(=O)c2nc3nc(C)cc(C)c3c(N3CCSCC3)n2)CC1 ZINC000096396813 569399223 /nfs/dbraw/zinc/39/92/23/569399223.db2.gz XBIRWVSLUTYPFD-UHFFFAOYSA-N 0 0 428.606 2.753 50 0 IFAARN Cc1cccc(N2CCN(C(=O)Cc3n[nH]c(=O)c4cc(-c5ccc(F)cc5)nn43)CC2)c1 ZINC000096397989 569399563 /nfs/dbraw/zinc/39/95/63/569399563.db2.gz HHKGJAMUSFEMFK-UHFFFAOYSA-N 0 0 446.486 2.836 50 0 IFAARN CCCNC(=O)[C@H](C)OC(=O)/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000096404314 569400577 /nfs/dbraw/zinc/40/05/77/569400577.db2.gz CZDHEWWPDKGNLV-QFSNBGPKSA-N 0 0 442.537 2.909 50 0 IFAARN COC(=O)CN1c2ccc(Br)cc2C(c2ccccc2)=N[C@@H](OC(C)=O)C1=O ZINC000096581883 569401819 /nfs/dbraw/zinc/40/18/19/569401819.db2.gz GKLKFNQOCLIHAZ-IBGZPJMESA-N 0 0 445.269 2.695 50 0 IFAARN COc1ccccc1NC(=O)C[C@H]1CS(=O)(=O)C[C@@H]1CC(=O)Nc1ccccc1OC ZINC000096592327 569401942 /nfs/dbraw/zinc/40/19/42/569401942.db2.gz SFIOZTAZOREOMW-HOTGVXAUSA-N 0 0 446.525 2.722 50 0 IFAARN CCOC(=O)[C@H](Cc1ccc(OC)c(OC)c1)NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000096594044 569402069 /nfs/dbraw/zinc/40/20/69/569402069.db2.gz GOUFXPQHPGKGJT-KRWDZBQOSA-N 0 0 431.485 2.554 50 0 IFAARN CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)N3CCCC3)c2=O)CCC4)cc1 ZINC000002467487 569403837 /nfs/dbraw/zinc/40/38/37/569403837.db2.gz UNFZNUKXNQEPBV-UHFFFAOYSA-N 0 0 439.537 2.724 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1 ZINC000225562828 569404517 /nfs/dbraw/zinc/40/45/17/569404517.db2.gz PTLVBCOGCOXZRG-UHFFFAOYSA-N 0 0 447.492 2.974 50 0 IFAARN O=C1CN(C2CCCCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 ZINC000055408706 569404723 /nfs/dbraw/zinc/40/47/23/569404723.db2.gz MMOFNVSYNNVNOS-ZWKOTPCHSA-N 0 0 441.391 2.986 50 0 IFAARN O=C(NCCc1nc2c(c(C(F)(F)F)n1)COCC2)C1(c2ccccc2)CCOCC1 ZINC000225581158 569404848 /nfs/dbraw/zinc/40/48/48/569404848.db2.gz UCEYWURZTYKBBI-UHFFFAOYSA-N 0 0 435.446 2.975 50 0 IFAARN O=C1N[C@@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1Cc1ccccc1 ZINC000002492465 569405407 /nfs/dbraw/zinc/40/54/07/569405407.db2.gz LLOBSIAHOOBTDM-INIZCTEOSA-N 0 0 447.822 2.629 50 0 IFAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000225606039 569405598 /nfs/dbraw/zinc/40/55/98/569405598.db2.gz HKKVPMCCDHDKCC-UHFFFAOYSA-N 0 0 437.327 2.890 50 0 IFAARN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CCc1cc(Br)ccc1OC(F)F ZINC000225633438 569406196 /nfs/dbraw/zinc/40/61/96/569406196.db2.gz ADGUZFXRDCFUNX-STQMWFEESA-N 0 0 436.249 2.772 50 0 IFAARN C[C@H](O)c1ccc(C2(CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)CCCC2)s1 ZINC000225685456 569406977 /nfs/dbraw/zinc/40/69/77/569406977.db2.gz SRNOWLHUIXQHCB-AWEZNQCLSA-N 0 0 430.526 2.775 50 0 IFAARN COc1ccccc1-c1cc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)[nH]n1 ZINC000225728602 569407572 /nfs/dbraw/zinc/40/75/72/569407572.db2.gz WWWNLOYIFTVPIE-UHFFFAOYSA-N 0 0 432.406 2.857 50 0 IFAARN Cc1noc(-c2ccn3c(c2)nnc3CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)n1 ZINC000225744961 569408024 /nfs/dbraw/zinc/40/80/24/569408024.db2.gz MPCCTMASWPHIKR-UHFFFAOYSA-N 0 0 432.419 2.557 50 0 IFAARN Cc1noc(-c2cccn3c(CNC(=O)Cc4ccc(OC(F)(F)F)cc4)nnc23)n1 ZINC000225749650 569408058 /nfs/dbraw/zinc/40/80/58/569408058.db2.gz OPTBMZBYYJCRFV-UHFFFAOYSA-N 0 0 432.362 2.845 50 0 IFAARN O=C(c1cc(Br)cs1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000225759617 569408155 /nfs/dbraw/zinc/40/81/55/569408155.db2.gz XUEMBCNLYXQGFR-UHFFFAOYSA-N 0 0 434.315 2.991 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000002616875 569410241 /nfs/dbraw/zinc/41/02/41/569410241.db2.gz LRPUUIGSXNDBDB-NRFANRHFSA-N 0 0 448.500 2.936 50 0 IFAARN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)NCCN4C(=O)CSC4=O)c23)C1 ZINC000002624188 569411514 /nfs/dbraw/zinc/41/15/14/569411514.db2.gz CLEURBGBQHAFHU-SNVBAGLBSA-N 0 0 436.584 2.720 50 0 IFAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)NCCc4ccccc4)C3=O)ccc2c1 ZINC000002635716 569412859 /nfs/dbraw/zinc/41/28/59/569412859.db2.gz DZEOPVFFTGMQJH-VWLOTQADSA-N 0 0 431.492 2.974 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000215760491 569415887 /nfs/dbraw/zinc/41/58/87/569415887.db2.gz JCIWCKWDLLVMQJ-HOTGVXAUSA-N 0 0 435.615 2.665 50 0 IFAARN CN1C(=O)c2ccc(C(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc2C1=O ZINC000028636067 569415939 /nfs/dbraw/zinc/41/59/39/569415939.db2.gz XQBDFVABMZTWOB-UHFFFAOYSA-N 0 0 431.414 2.889 50 0 IFAARN COc1cc(C(=O)OCC(=O)NCCc2ccc(F)cc2)cc(Br)c1O ZINC000002725912 569418517 /nfs/dbraw/zinc/41/85/17/569418517.db2.gz OGAYWKJITGMGMQ-UHFFFAOYSA-N 0 0 426.238 2.818 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(F)c(F)c1 ZINC000028721396 569418867 /nfs/dbraw/zinc/41/88/67/569418867.db2.gz XBFOPEIFTZWHEO-JOCHJYFZSA-N 0 0 439.466 2.879 50 0 IFAARN COc1ccccc1OCc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002764546 569420608 /nfs/dbraw/zinc/42/06/08/569420608.db2.gz HDJZRXGBQYTBTB-UHFFFAOYSA-N 0 0 426.494 2.852 50 0 IFAARN Cc1nc2sc3c(c2c(=O)n1NC(=O)c1c(Br)cnn1C)CC[C@@H](C)C3 ZINC000002778157 569421070 /nfs/dbraw/zinc/42/10/70/569421070.db2.gz ORBUVXJZICKCOY-MRVPVSSYSA-N 0 0 436.335 2.771 50 0 IFAARN C[C@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(-c3nc4c5cnn(C)c5ncn4n3)cc2N1 ZINC000002802914 569422536 /nfs/dbraw/zinc/42/25/36/569422536.db2.gz IWCFUHRISADRMF-XVKPBYJWSA-N 0 0 427.341 2.817 50 0 IFAARN COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc(Cl)c1OCC(N)=O ZINC000029050377 569425105 /nfs/dbraw/zinc/42/51/05/569425105.db2.gz IIRHQKBBOLQDHG-INIZCTEOSA-N 0 0 440.327 2.899 50 0 IFAARN CC[C@H](C)NC(=O)c1sc2ncn(CC(=O)Nc3ccccc3OC)c(=O)c2c1C ZINC000002922807 569425485 /nfs/dbraw/zinc/42/54/85/569425485.db2.gz QZHOZCLESWNLBH-LBPRGKRZSA-N 0 0 428.514 2.942 50 0 IFAARN COCCn1cnc2sc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(C)c2c1=O ZINC000002924682 569425489 /nfs/dbraw/zinc/42/54/89/569425489.db2.gz ABGMFSLHDXUSPV-UHFFFAOYSA-N 0 0 433.486 2.691 50 0 IFAARN CCc1ccc(-n2c(N)c3c(C)nnc-3nc2S[C@H](CC)C(=O)NCCOC)cc1 ZINC000002927176 569425747 /nfs/dbraw/zinc/42/57/47/569425747.db2.gz WXDKGGBIVQVAEL-MRXNPFEDSA-N 0 0 428.562 2.732 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2Cc3nn(C(C)(C)C)c(-n4cccc4)c3C2)cc1 ZINC000056907379 569427528 /nfs/dbraw/zinc/42/75/28/569427528.db2.gz AFANIVHAICLMGQ-UHFFFAOYSA-N 0 0 441.557 2.835 50 0 IFAARN Cc1csc(NC(=O)CN2CCC3(CC2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)n1 ZINC000056932029 569427796 /nfs/dbraw/zinc/42/77/96/569427796.db2.gz SWZWIQCPIFPBJD-UHFFFAOYSA-N 0 0 447.948 2.630 50 0 IFAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1 ZINC000056945127 569427942 /nfs/dbraw/zinc/42/79/42/569427942.db2.gz NGAYKGZBLLJGOU-QHCPKHFHSA-N 0 0 446.551 2.884 50 0 IFAARN O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945296 569428044 /nfs/dbraw/zinc/42/80/44/569428044.db2.gz ZUWJPPGPZGNSJL-QHCPKHFHSA-N 0 0 446.551 2.618 50 0 IFAARN COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000056997605 569428775 /nfs/dbraw/zinc/42/87/75/569428775.db2.gz IUJJCQQFCMBJBP-UHFFFAOYSA-N 0 0 429.586 2.675 50 0 IFAARN COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000056997903 569428978 /nfs/dbraw/zinc/42/89/78/569428978.db2.gz ZFOHOPMPMFJIIW-UHFFFAOYSA-N 0 0 430.936 2.534 50 0 IFAARN COc1ccc(N2C(=O)CN(CCCc3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000056998161 569429151 /nfs/dbraw/zinc/42/91/51/569429151.db2.gz ZGNYLZDVHVDOIU-PMACEKPBSA-N 0 0 448.972 2.796 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1)Nc1cccc(F)c1 ZINC000057303428 569430671 /nfs/dbraw/zinc/43/06/71/569430671.db2.gz WCXZEEBGRGGKCR-JOCHJYFZSA-N 0 0 441.503 2.780 50 0 IFAARN O=C(c1ccc(F)cc1)N1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000029660654 569431779 /nfs/dbraw/zinc/43/17/79/569431779.db2.gz PMWHALREHYCKCG-GOSISDBHSA-N 0 0 437.309 2.786 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1)Nc1ccc(F)cc1 ZINC000057364758 569432305 /nfs/dbraw/zinc/43/23/05/569432305.db2.gz JOXCKAYTUWGXLN-JOCHJYFZSA-N 0 0 441.503 2.780 50 0 IFAARN Cc1ncc(CO)c2cc(C(=O)NC3=C[C@H]4OCO[C@H]4C=C3)/c(=N/c3ccc(F)cc3)oc12 ZINC000002955870 569432323 /nfs/dbraw/zinc/43/23/23/569432323.db2.gz RINCQWLNQLKGFZ-PITIOHKYSA-N 0 0 449.438 2.925 50 0 IFAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000057378549 569432576 /nfs/dbraw/zinc/43/25/76/569432576.db2.gz KIYANBIFUMJDCL-OAHLLOKOSA-N 0 0 427.530 2.719 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000057416053 569434199 /nfs/dbraw/zinc/43/41/99/569434199.db2.gz KXIKZIFWRAEEPK-HXUWFJFHSA-N 0 0 426.542 2.660 50 0 IFAARN COc1ccccc1Cn1c(=O)c2sccc2nc1SCC(=O)NC[C@@H]1CCCO1 ZINC000057425594 569434398 /nfs/dbraw/zinc/43/43/98/569434398.db2.gz SCIFPKFYPHWQNJ-HNNXBMFYSA-N 0 0 445.566 2.902 50 0 IFAARN COc1ccccc1Cn1c(=O)c2sccc2nc1SCC(=O)NC[C@H]1CCCO1 ZINC000057425596 569434409 /nfs/dbraw/zinc/43/44/09/569434409.db2.gz SCIFPKFYPHWQNJ-OAHLLOKOSA-N 0 0 445.566 2.902 50 0 IFAARN COCCCNC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1OC ZINC000057425583 569434433 /nfs/dbraw/zinc/43/44/33/569434433.db2.gz NBBXJUHYBXZQNH-UHFFFAOYSA-N 0 0 433.555 2.760 50 0 IFAARN COCCCNC(=O)CSc1nc2ccsc2c(=O)n1Cc1cccc(OC)c1 ZINC000057426150 569434541 /nfs/dbraw/zinc/43/45/41/569434541.db2.gz LIRLFJWRJLOXPQ-UHFFFAOYSA-N 0 0 433.555 2.760 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCCC[C@H]3C)c2=O)c1 ZINC000057426832 569434729 /nfs/dbraw/zinc/43/47/29/569434729.db2.gz MGKYAYSLVUSKNP-OAHLLOKOSA-N 0 0 427.526 2.683 50 0 IFAARN CCCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O ZINC000057427266 569434762 /nfs/dbraw/zinc/43/47/62/569434762.db2.gz FLCVMNGGMNCPCS-UHFFFAOYSA-N 0 0 444.532 2.513 50 0 IFAARN C[C@@H]1C[C@H](C)CN(C(=O)Cn2c3ccsc3c(=O)n(-c3cc(F)cc(F)c3)c2=O)C1 ZINC000057429007 569434966 /nfs/dbraw/zinc/43/49/66/569434966.db2.gz YTDPVZYWHZWVMO-BETUJISGSA-N 0 0 433.480 2.997 50 0 IFAARN C[C@H]1C[C@H](C)CN(C(=O)Cn2c3ccsc3c(=O)n(-c3cc(F)cc(F)c3)c2=O)C1 ZINC000057429009 569434984 /nfs/dbraw/zinc/43/49/84/569434984.db2.gz YTDPVZYWHZWVMO-STQMWFEESA-N 0 0 433.480 2.997 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)NCc1cccs1 ZINC000029852712 569435479 /nfs/dbraw/zinc/43/54/79/569435479.db2.gz DOKYWDQPAJXTID-UHFFFAOYSA-N 0 0 448.397 2.678 50 0 IFAARN COc1ccc(C(=O)O[C@@H](C(N)=O)c2ccccc2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000230093792 569436223 /nfs/dbraw/zinc/43/62/23/569436223.db2.gz ZCOQDXZIWRAMDU-FOIQADDNSA-N 0 0 446.525 2.642 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c2=O)c1 ZINC000057486004 569436374 /nfs/dbraw/zinc/43/63/74/569436374.db2.gz JKGNKWNHUVAWIY-HOTGVXAUSA-N 0 0 441.553 2.786 50 0 IFAARN COC(=O)c1ccc(Cl)cc1NC(=O)Cn1c2ccsc2c(=O)n(CC(C)C)c1=O ZINC000057486108 569436375 /nfs/dbraw/zinc/43/63/75/569436375.db2.gz WPVITJJQCLEMFR-UHFFFAOYSA-N 0 0 449.916 2.959 50 0 IFAARN Cc1ccc2c(c1)N(C(=O)Cn1c3ccsc3c(=O)n(-c3ccccc3)c1=O)CCO2 ZINC000057489549 569437019 /nfs/dbraw/zinc/43/70/19/569437019.db2.gz MWUNVMISYJVHIT-UHFFFAOYSA-N 0 0 433.489 2.948 50 0 IFAARN COc1cccc(CNC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3C)c2=O)c1 ZINC000057489810 569437106 /nfs/dbraw/zinc/43/71/06/569437106.db2.gz MGNGINYBCDASAG-UHFFFAOYSA-N 0 0 435.505 2.847 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3)c2=O)cc1 ZINC000057490179 569437161 /nfs/dbraw/zinc/43/71/61/569437161.db2.gz ZVPQJXMTSUIWEU-UHFFFAOYSA-N 0 0 449.488 2.948 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3OC)c2=O)cc1 ZINC000057490750 569437264 /nfs/dbraw/zinc/43/72/64/569437264.db2.gz GEXPRLRTIUEQRR-UHFFFAOYSA-N 0 0 437.477 2.870 50 0 IFAARN CCN(CC)C(=O)Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O ZINC000057503229 569438101 /nfs/dbraw/zinc/43/81/01/569438101.db2.gz PGYAZPPRHGLASW-UHFFFAOYSA-N 0 0 426.864 2.735 50 0 IFAARN Cc1cccc(NC(=O)Cn2nc3cc(C)nc(N4CCc5ccccc5C4)n3c2=O)c1 ZINC000057505844 569438186 /nfs/dbraw/zinc/43/81/86/569438186.db2.gz NWYZYIWRVYKCGZ-UHFFFAOYSA-N 0 0 428.496 2.709 50 0 IFAARN CC(C)(C)NC(=O)Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O ZINC000057504581 569438191 /nfs/dbraw/zinc/43/81/91/569438191.db2.gz PUEOXHPYFTUGPR-UHFFFAOYSA-N 0 0 426.864 2.781 50 0 IFAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc32)c(OC)c1 ZINC000057506752 569438247 /nfs/dbraw/zinc/43/82/47/569438247.db2.gz RVSTUQPOOVIGMP-UHFFFAOYSA-N 0 0 447.542 2.671 50 0 IFAARN CCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2OC)c(-c2ccc(F)cc2)n1 ZINC000057508751 569438338 /nfs/dbraw/zinc/43/83/38/569438338.db2.gz ZTUAUBGDFQIXED-UHFFFAOYSA-N 0 0 425.460 2.945 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000230129516 569438881 /nfs/dbraw/zinc/43/88/81/569438881.db2.gz XUQBABWCLZMMOU-GGAORHGYSA-N 0 0 429.524 2.669 50 0 IFAARN CCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000057521724 569439025 /nfs/dbraw/zinc/43/90/25/569439025.db2.gz ZNTCXISMTYRCTK-UHFFFAOYSA-N 0 0 430.530 2.521 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230130035 569439098 /nfs/dbraw/zinc/43/90/98/569439098.db2.gz JHHVXLQUXXBDDO-GMAHTHKFSA-N 0 0 447.514 2.808 50 0 IFAARN COc1cccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCC(C)C)c2=O)c1OC ZINC000057526089 569439123 /nfs/dbraw/zinc/43/91/23/569439123.db2.gz FOSREPKCMUQEQV-UHFFFAOYSA-N 0 0 439.512 2.543 50 0 IFAARN Cc1ccc(-n2c(S[C@@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)nc1 ZINC000057806621 569441622 /nfs/dbraw/zinc/44/16/22/569441622.db2.gz HABWEKRKOJHFOE-ZDUSSCGKSA-N 0 0 434.529 2.776 50 0 IFAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)N1CCN(C(=O)c2ccco2)CC1 ZINC000003215890 569441788 /nfs/dbraw/zinc/44/17/88/569441788.db2.gz LWXUQMOJZYIGHY-UHFFFAOYSA-N 0 0 447.491 2.848 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(C(=O)OC)cc3)C(=O)O2)c1 ZINC000003221314 569442049 /nfs/dbraw/zinc/44/20/49/569442049.db2.gz ZNIRNOAWCXHJOX-CPNJWEJPSA-N 0 0 442.493 2.848 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)NC1CCCC1 ZINC000003228501 569442252 /nfs/dbraw/zinc/44/22/52/569442252.db2.gz RIEYNYSFAKPLII-UHFFFAOYSA-N 0 0 428.510 2.654 50 0 IFAARN O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)s1 ZINC000003251264 569442900 /nfs/dbraw/zinc/44/29/00/569442900.db2.gz IMTIMIKUWRDNFZ-UHFFFAOYSA-N 0 0 447.893 2.601 50 0 IFAARN Cc1c(NC(=O)[C@H](C)OC(=O)[C@]2(C)CC2(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000003253288 569443006 /nfs/dbraw/zinc/44/30/06/569443006.db2.gz GUCZUGHFTACTDK-SGTLLEGYSA-N 0 0 426.300 2.939 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000003253259 569443015 /nfs/dbraw/zinc/44/30/15/569443015.db2.gz ZIFASIODTUYBHK-UHFFFAOYSA-N 0 0 428.919 2.652 50 0 IFAARN COC(=O)c1c(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CCC2 ZINC000003277745 569443745 /nfs/dbraw/zinc/44/37/45/569443745.db2.gz IHENSVFIWUALMR-UHFFFAOYSA-N 0 0 449.481 2.845 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@H]3CCCN3[C@@]13c1ccccc1NC3=O)OCO2 ZINC000057992201 569444266 /nfs/dbraw/zinc/44/42/66/569444266.db2.gz LXBLBBMTEWXEOZ-DOLBFCBYSA-N 0 0 433.464 2.888 50 0 IFAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)Nc1cccc(I)c1 ZINC000003308914 569445343 /nfs/dbraw/zinc/44/53/43/569445343.db2.gz ONWZFABILAXVCH-UHFFFAOYSA-N 0 0 448.216 2.928 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2cccc(Br)c2)cc1 ZINC000003312626 569445613 /nfs/dbraw/zinc/44/56/13/569445613.db2.gz JSAXWUVORNHMQO-UHFFFAOYSA-N 0 0 426.288 2.739 50 0 IFAARN O=C(COc1ccc(-c2nnco2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003323573 569446098 /nfs/dbraw/zinc/44/60/98/569446098.db2.gz JPMKNLUOSWGZDU-UHFFFAOYSA-N 0 0 428.470 2.539 50 0 IFAARN CCOC(=O)c1sc2[nH]c(CSc3nc4nc(C)cc(C)n4n3)nc(=O)c2c1C ZINC000003337705 569446704 /nfs/dbraw/zinc/44/67/04/569446704.db2.gz MUOCKAZFRSBXCA-UHFFFAOYSA-N 0 0 430.515 2.817 50 0 IFAARN O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 ZINC000058085873 569446908 /nfs/dbraw/zinc/44/69/08/569446908.db2.gz XRBSUBBULCVGMB-OALUTQOASA-N 0 0 435.981 2.542 50 0 IFAARN COc1cc(C(=O)Nc2nc3c(s2)CCCC3)ccc1OCC(=O)N1CCOCC1 ZINC000003363999 569448041 /nfs/dbraw/zinc/44/80/41/569448041.db2.gz UFJOEAHARPZOKH-UHFFFAOYSA-N 0 0 431.514 2.520 50 0 IFAARN CCCCn1c2nc(COC(=O)Nc3ccccc3OC)n(CCC)c2c(=O)[nH]c1=O ZINC000003367905 569448182 /nfs/dbraw/zinc/44/81/82/569448182.db2.gz NMMLGZIZWLVUMI-UHFFFAOYSA-N 0 0 429.477 2.854 50 0 IFAARN COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000003373226 569448560 /nfs/dbraw/zinc/44/85/60/569448560.db2.gz RKXXCDOBXWKQCP-UHFFFAOYSA-N 0 0 434.404 2.880 50 0 IFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000003374842 569448596 /nfs/dbraw/zinc/44/85/96/569448596.db2.gz LAGZYYIXLMIOAP-IBGZPJMESA-N 0 0 426.494 2.817 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN(C)c1ccc(F)c(F)c1 ZINC000058157831 569449000 /nfs/dbraw/zinc/44/90/00/569449000.db2.gz URDBRPYRQQYHLQ-UHFFFAOYSA-N 0 0 425.457 2.946 50 0 IFAARN COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1I ZINC000003391557 569449276 /nfs/dbraw/zinc/44/92/76/569449276.db2.gz UOKAREHAINSOLM-UHFFFAOYSA-N 0 0 439.205 2.873 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1C ZINC000003391446 569449318 /nfs/dbraw/zinc/44/93/18/569449318.db2.gz RMMGXSBJHGTGKC-FATZIPQQSA-N 0 0 429.517 2.922 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC2CCCCCCC2)c1 ZINC000003405603 569449876 /nfs/dbraw/zinc/44/98/76/569449876.db2.gz IFAZBMKKLIHRIQ-UHFFFAOYSA-N 0 0 430.954 2.976 50 0 IFAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1 ZINC000003408470 569450007 /nfs/dbraw/zinc/45/00/07/569450007.db2.gz MIWRSFKPEQIIHZ-UHFFFAOYSA-N 0 0 447.469 2.722 50 0 IFAARN C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000003415066 569450189 /nfs/dbraw/zinc/45/01/89/569450189.db2.gz VFJWXVLQWQOSFF-KBPBESRZSA-N 0 0 434.480 2.742 50 0 IFAARN COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)Nc2cc(C)on2)cc1OC ZINC000003430955 569450843 /nfs/dbraw/zinc/45/08/43/569450843.db2.gz FTYCNLJSNMYBAY-UHFFFAOYSA-N 0 0 429.385 2.641 50 0 IFAARN CCCCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000003433742 569450950 /nfs/dbraw/zinc/45/09/50/569450950.db2.gz AEPIGDKPAFIDAY-UHFFFAOYSA-N 0 0 430.526 2.507 50 0 IFAARN Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)NCc1ccccc1 ZINC000003446565 569451371 /nfs/dbraw/zinc/45/13/71/569451371.db2.gz BUMSNWXCGLODTK-UHFFFAOYSA-N 0 0 448.346 2.742 50 0 IFAARN C[C@@H]1CN(C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2N)C[C@@H](C)O1 ZINC000003446181 569451380 /nfs/dbraw/zinc/45/13/80/569451380.db2.gz OMUXUCYRLSPZDL-CHWSQXEVSA-N 0 0 430.555 2.567 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1OC ZINC000003445974 569451419 /nfs/dbraw/zinc/45/14/19/569451419.db2.gz NZIYQEXQLPPZRO-UHFFFAOYSA-N 0 0 437.470 2.973 50 0 IFAARN COc1ccc(-c2noc(CN3CCC(C(=O)NCc4cccnc4)CC3)n2)cc1OC ZINC000030981368 569452075 /nfs/dbraw/zinc/45/20/75/569452075.db2.gz BDIYHPODCSNKKY-UHFFFAOYSA-N 0 0 437.500 2.677 50 0 IFAARN O=C(CCc1cccnc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000030996908 569452155 /nfs/dbraw/zinc/45/21/55/569452155.db2.gz QXPFMNOIKXMTEY-UHFFFAOYSA-N 0 0 428.341 2.854 50 0 IFAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c2C)no1 ZINC000003480265 569452269 /nfs/dbraw/zinc/45/22/69/569452269.db2.gz JLZJUWMKXZFVLH-OAHLLOKOSA-N 0 0 435.436 2.801 50 0 IFAARN COc1cc(C(=O)OCC(=O)NC(N)=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000003482983 569452413 /nfs/dbraw/zinc/45/24/13/569452413.db2.gz SCSZOFMQJPNXPO-UHFFFAOYSA-N 0 0 427.240 2.933 50 0 IFAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000003491864 569452542 /nfs/dbraw/zinc/45/25/42/569452542.db2.gz FZZOCGFTVGURFH-UHFFFAOYSA-N 0 0 438.513 2.602 50 0 IFAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2I)C1=O ZINC000003519339 569453136 /nfs/dbraw/zinc/45/31/36/569453136.db2.gz HHQCBPFGEGDBPL-GOSISDBHSA-N 0 0 449.248 2.697 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)Nc1ccc2c(c1)OCO2 ZINC000003528873 569453334 /nfs/dbraw/zinc/45/33/34/569453334.db2.gz HVFOPMJJTDATGX-UHFFFAOYSA-N 0 0 435.436 2.647 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000003538111 569453533 /nfs/dbraw/zinc/45/35/33/569453533.db2.gz VHIUTUJFQLUPMP-CYBMUJFWSA-N 0 0 436.917 2.725 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000003538110 569453522 /nfs/dbraw/zinc/45/35/22/569453522.db2.gz VHIUTUJFQLUPMP-ZDUSSCGKSA-N 0 0 436.917 2.725 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1C ZINC000003545203 569453702 /nfs/dbraw/zinc/45/37/02/569453702.db2.gz SSUCDAYPAKSPCL-UHFFFAOYSA-N 0 0 426.878 2.687 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n2C)cc1 ZINC000003568881 569454127 /nfs/dbraw/zinc/45/41/27/569454127.db2.gz ZIXYZFMMAWGVBS-UHFFFAOYSA-N 0 0 442.541 2.959 50 0 IFAARN COc1cc(C2=N/C(=C/c3ccc(N4CCOCC4)s3)C(=O)O2)cc(OC)c1OC ZINC000003569446 569454191 /nfs/dbraw/zinc/45/41/91/569454191.db2.gz MUYGUYLNCXCHPK-NTCAYCPXSA-N 0 0 430.482 2.955 50 0 IFAARN CCOc1ccc(-n2c(SCC(=O)NC(N)=O)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000003572749 569454264 /nfs/dbraw/zinc/45/42/64/569454264.db2.gz MQDFMISXAJLEMQ-UHFFFAOYSA-N 0 0 444.538 2.622 50 0 IFAARN Cc1cc(=O)c(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC000058440021 569454802 /nfs/dbraw/zinc/45/48/02/569454802.db2.gz CHIONCOKANGNTQ-AWEZNQCLSA-N 0 0 448.445 2.691 50 0 IFAARN COc1ccc(OC)c(-n2c(=O)c3ccc(C(=O)NC[C@@H]4CCCO4)cc3[nH]c2=S)c1 ZINC000003631308 569455380 /nfs/dbraw/zinc/45/53/80/569455380.db2.gz GTZRXESKKPKFQM-HNNXBMFYSA-N 0 0 441.509 2.974 50 0 IFAARN O=C(c1ccc(Br)cc1)N(CCc1ccccc1)C[C@@H]1CN([N+](=O)[O-])CO1 ZINC000003642948 569455579 /nfs/dbraw/zinc/45/55/79/569455579.db2.gz JEBNXTMCFFOZQF-GOSISDBHSA-N 0 0 434.290 2.984 50 0 IFAARN CCOc1ncccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000031323957 569455888 /nfs/dbraw/zinc/45/58/88/569455888.db2.gz XYFUNIAZAKSSDM-UHFFFAOYSA-N 0 0 443.569 2.686 50 0 IFAARN Cc1oc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NCCCc1csc(N)n1 ZINC000670449439 569456125 /nfs/dbraw/zinc/45/61/25/569456125.db2.gz MMXICMFLJKNYJP-UHFFFAOYSA-N 0 0 435.453 2.947 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000031421030 569456427 /nfs/dbraw/zinc/45/64/27/569456427.db2.gz GCVKHYZZASLJBS-FQEVSTJZSA-N 0 0 426.904 2.966 50 0 IFAARN O=C(Nc1ccc(C(=O)Nc2nc3ccccc3s2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000031813818 569457942 /nfs/dbraw/zinc/45/79/42/569457942.db2.gz JEJRCPHUDJCTQW-CQSZACIVSA-N 0 0 430.511 2.857 50 0 IFAARN Cc1nnc2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3ccc(C)c(Cl)c3)c(N)c1-2 ZINC000004056914 569458514 /nfs/dbraw/zinc/45/85/14/569458514.db2.gz PBCLPVLQBNJKNA-CQSZACIVSA-N 0 0 446.964 2.886 50 0 IFAARN COC(=O)c1cn(CC(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)c2ccccc12 ZINC000031997782 569458674 /nfs/dbraw/zinc/45/86/74/569458674.db2.gz XDAMUOAPBGWUAO-QHCPKHFHSA-N 0 0 435.524 2.926 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 ZINC000032071949 569459236 /nfs/dbraw/zinc/45/92/36/569459236.db2.gz MWIOCTFLEJASQX-CYBMUJFWSA-N 0 0 435.402 2.822 50 0 IFAARN NC(=O)CN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)c2ccc(F)cc21 ZINC000032074515 569459350 /nfs/dbraw/zinc/45/93/50/569459350.db2.gz OZZNOXKVXIMOJC-OAQYLSRUSA-N 0 0 439.834 2.775 50 0 IFAARN CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nc(C)cs1 ZINC000032074569 569459372 /nfs/dbraw/zinc/45/93/72/569459372.db2.gz UFTWVSUMCJOKOW-ZBFHGGJFSA-N 0 0 432.571 2.681 50 0 IFAARN CSCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ncc(C)s1 ZINC000032074850 569459429 /nfs/dbraw/zinc/45/94/29/569459429.db2.gz KXJKXKCWBZANSU-HOCLYGCPSA-N 0 0 432.571 2.681 50 0 IFAARN Cc1nonc1CN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000032093617 569459720 /nfs/dbraw/zinc/45/97/20/569459720.db2.gz XVATURWJKSYTLG-KRWDZBQOSA-N 0 0 434.294 2.565 50 0 IFAARN CNC(=O)c1c2c(sc1NC(=O)C1=C(c3ccccc3)S(=O)(=O)CCO1)CCCC2 ZINC000032102036 569460115 /nfs/dbraw/zinc/46/01/15/569460115.db2.gz NRIVAMBTYZPACG-UHFFFAOYSA-N 0 0 446.550 2.739 50 0 IFAARN CCCn1c2ccccc2n(CC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1=O ZINC000032205850 569460735 /nfs/dbraw/zinc/46/07/35/569460735.db2.gz YZDGHSPNLSVXEK-UHFFFAOYSA-N 0 0 444.557 2.929 50 0 IFAARN C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC(=O)N3)C1=O ZINC000032328146 569461308 /nfs/dbraw/zinc/46/13/08/569461308.db2.gz BSVMJOPYGBURAG-QFIPXVFZSA-N 0 0 427.407 2.890 50 0 IFAARN CCCc1cc(=O)[nH]c2nnc(SCC(=O)N3CCC(Cc4ccccc4)CC3)n21 ZINC000004250137 569461382 /nfs/dbraw/zinc/46/13/82/569461382.db2.gz BAXZEILBWMDMIP-UHFFFAOYSA-N 0 0 425.558 2.944 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 ZINC000008272811 569462483 /nfs/dbraw/zinc/46/24/83/569462483.db2.gz YKVOPGBJQMKYJR-MTTLDHAHSA-N 0 0 429.517 2.868 50 0 IFAARN CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2C(C)C)c1=O ZINC000008223580 569462501 /nfs/dbraw/zinc/46/25/01/569462501.db2.gz CKHLZLLSBKAGLD-UHFFFAOYSA-N 0 0 427.549 2.755 50 0 IFAARN O=c1c2nnn(Cc3ccc(Cl)cc3)c2ncn1Cc1nc(-c2cccs2)no1 ZINC000038486751 569462808 /nfs/dbraw/zinc/46/28/08/569462808.db2.gz RYBMWAFXSCNZAL-UHFFFAOYSA-N 0 0 425.861 2.850 50 0 IFAARN O=C(Cn1nc2c3cc(-c4ccc(F)cc4)nn3ccn2c1=O)N1CCCc2ccccc21 ZINC000038487195 569462863 /nfs/dbraw/zinc/46/28/63/569462863.db2.gz WBKCRBPFGFCCCE-UHFFFAOYSA-N 0 0 442.454 2.929 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008399146 569463278 /nfs/dbraw/zinc/46/32/78/569463278.db2.gz PYOYTJDSQGNANU-GTENMVSRSA-N 0 0 440.546 2.868 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204842 569464507 /nfs/dbraw/zinc/46/45/07/569464507.db2.gz KDPMQIVTNQPELQ-QFIPXVFZSA-N 0 0 438.503 2.737 50 0 IFAARN Cc1cc2nc3s/c(=C\c4ccc(OC(=O)N5CCOCC5)cc4)c(=O)n3c2cc1C ZINC000008443147 569464641 /nfs/dbraw/zinc/46/46/41/569464641.db2.gz FJPKDNKLMAVHBJ-MOSHPQCFSA-N 0 0 435.505 2.905 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCOc5ccc(C)cc54)ncn3n2)cc1 ZINC000067208871 569464770 /nfs/dbraw/zinc/46/47/70/569464770.db2.gz UBJODFHLZTZOOQ-UHFFFAOYSA-N 0 0 429.480 2.854 50 0 IFAARN C[C@H]1CCCN(c2nc3ncn(CC(=O)NCCCc4ccccc4)c(=O)c3s2)C1 ZINC000067226260 569465253 /nfs/dbraw/zinc/46/52/53/569465253.db2.gz VSCTXDPTQWRAAG-INIZCTEOSA-N 0 0 425.558 2.838 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)cc1OC ZINC000067226223 569465267 /nfs/dbraw/zinc/46/52/67/569465267.db2.gz GSPLFDAXPDVAQR-ZDUSSCGKSA-N 0 0 443.529 2.745 50 0 IFAARN COc1cccc(CNC(=O)Cn2cnc3c(-c4cccc(OC)c4)cn(C)c3c2=O)c1 ZINC000067235615 569465392 /nfs/dbraw/zinc/46/53/92/569465392.db2.gz WUMILALVOUHGRD-UHFFFAOYSA-N 0 0 432.480 2.736 50 0 IFAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000067238514 569465627 /nfs/dbraw/zinc/46/56/27/569465627.db2.gz AFSNVWFDHAZJKK-UHFFFAOYSA-N 0 0 428.514 2.970 50 0 IFAARN COc1ccccc1-n1nnc2c1ncn(Cc1nc(-c3ccc(C)c(C)c3)no1)c2=O ZINC000038654877 569465789 /nfs/dbraw/zinc/46/57/89/569465789.db2.gz MPOKOIOJPSGPHA-UHFFFAOYSA-N 0 0 429.440 2.701 50 0 IFAARN CCOc1ccc(-n2ccn(CC(=O)NCc3ccc(F)c(Cl)c3)c(=O)c2=O)cc1 ZINC000067256152 569466057 /nfs/dbraw/zinc/46/60/57/569466057.db2.gz QUPFNGDSMIRUQQ-UHFFFAOYSA-N 0 0 431.851 2.507 50 0 IFAARN COc1ccc(CCNc2nc3nc(=O)n(-c4ccccc4OC)c(=O)c-3c[nH]2)cc1OC ZINC000067263831 569466734 /nfs/dbraw/zinc/46/67/34/569466734.db2.gz LHYRAABKKQZYHI-UHFFFAOYSA-N 0 0 449.467 2.562 50 0 IFAARN Cc1c(C(=O)N2CCN(c3ccccn3)CC2)nnn1-c1ccccc1Br ZINC000067283396 569466827 /nfs/dbraw/zinc/46/68/27/569466827.db2.gz LGQVYKUTFHPIJT-UHFFFAOYSA-N 0 0 427.306 2.696 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000067287314 569467325 /nfs/dbraw/zinc/46/73/25/569467325.db2.gz QZPYZONNJPGQKS-IBGZPJMESA-N 0 0 449.935 2.786 50 0 IFAARN CCS(=O)(=O)N1CCCc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)ccc21 ZINC000038700211 569467614 /nfs/dbraw/zinc/46/76/14/569467614.db2.gz QGRYYHHEMUXKRS-MRXNPFEDSA-N 0 0 445.516 2.920 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)CC1 ZINC000038699836 569467636 /nfs/dbraw/zinc/46/76/36/569467636.db2.gz GGGTWLPHDAMYRI-UHFFFAOYSA-N 0 0 441.553 2.890 50 0 IFAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1CCO ZINC000067300591 569468193 /nfs/dbraw/zinc/46/81/93/569468193.db2.gz LDXITDAXPMXHEL-UHFFFAOYSA-N 0 0 429.879 2.862 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccccc2)cc1 ZINC000067300170 569468195 /nfs/dbraw/zinc/46/81/95/569468195.db2.gz HQLNOTQDDXIYRV-UHFFFAOYSA-N 0 0 435.480 2.569 50 0 IFAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)NCc2ccccc2F)c(=O)c1CCO ZINC000067316605 569468434 /nfs/dbraw/zinc/46/84/34/569468434.db2.gz PTBFWZNWAFUHLH-UHFFFAOYSA-N 0 0 429.879 2.862 50 0 IFAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(OC)c(OC)c3)c2C)cc1 ZINC000067322891 569468716 /nfs/dbraw/zinc/46/87/16/569468716.db2.gz VLHGQLXPAKROGR-UHFFFAOYSA-N 0 0 439.472 2.893 50 0 IFAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)cc3F)c2C)cc1OC ZINC000067322947 569468735 /nfs/dbraw/zinc/46/87/35/569468735.db2.gz CIQBIDDFAVMAKL-UHFFFAOYSA-N 0 0 431.399 2.773 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3cccc(C(C)=O)c3)c2C)c1 ZINC000067323009 569468736 /nfs/dbraw/zinc/46/87/36/569468736.db2.gz GLVUBBBHOQXBEA-UHFFFAOYSA-N 0 0 437.456 2.697 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2N)cc1 ZINC000067336147 569468861 /nfs/dbraw/zinc/46/88/61/569468861.db2.gz UNICRMMJUVVFKR-UHFFFAOYSA-N 0 0 438.557 2.737 50 0 IFAARN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(Br)cc1)O2 ZINC000038834032 569469204 /nfs/dbraw/zinc/46/92/04/569469204.db2.gz YYDINQYYXCKZHV-INIZCTEOSA-N 0 0 425.304 2.923 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000038848965 569469260 /nfs/dbraw/zinc/46/92/60/569469260.db2.gz VAVSMDIPHIXYRF-IBGZPJMESA-N 0 0 438.933 2.625 50 0 IFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1cccs1 ZINC000008622942 569469474 /nfs/dbraw/zinc/46/94/74/569469474.db2.gz SFBGHANYRHUWLH-JMPLCFMRSA-N 0 0 446.575 2.548 50 0 IFAARN Cc1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)NCc1ccco1 ZINC000008661427 569469781 /nfs/dbraw/zinc/46/97/81/569469781.db2.gz ICCAFRAOEQTMPK-UHFFFAOYSA-N 0 0 437.521 2.994 50 0 IFAARN Cc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC4)cc32)cc1 ZINC000008661355 569469783 /nfs/dbraw/zinc/46/97/83/569469783.db2.gz HQOCQEIFAMQNFX-UHFFFAOYSA-N 0 0 439.537 2.594 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000008664586 569469973 /nfs/dbraw/zinc/46/99/73/569469973.db2.gz OTIMNPOCANXQLF-HXUWFJFHSA-N 0 0 430.460 2.726 50 0 IFAARN Cc1ccc(-n2n[o+]c([O-])c2C2=Nn3c(COc4ccccc4C)nnc3SC2)cc1 ZINC000039013327 569470052 /nfs/dbraw/zinc/47/00/52/569470052.db2.gz AXLVXLVLGOHWGM-UHFFFAOYSA-O 0 0 435.489 2.802 50 0 IFAARN C[C@@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000008709138 569470750 /nfs/dbraw/zinc/47/07/50/569470750.db2.gz GKIHHKKQLCOTHL-MFKMUULPSA-N 0 0 444.376 2.623 50 0 IFAARN CCCCn1c(COC(=O)Cc2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21 ZINC000008720156 569471483 /nfs/dbraw/zinc/47/14/83/569471483.db2.gz KZLPAJVWOQCWBL-UHFFFAOYSA-N 0 0 431.514 2.778 50 0 IFAARN Cc1c(C)n([C@@H](C)c2ccccc2)c2nc3c(c(=O)n(CC(=O)C(C)(C)C)c(=O)n3C)n12 ZINC000008724571 569471990 /nfs/dbraw/zinc/47/19/90/569471990.db2.gz PLGLVFCVDHUYES-INIZCTEOSA-N 0 0 435.528 2.991 50 0 IFAARN C[C@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 ZINC000008724509 569472039 /nfs/dbraw/zinc/47/20/39/569472039.db2.gz LRLXPRDKLZVGOU-KBPBESRZSA-N 0 0 447.942 2.752 50 0 IFAARN COC(=O)c1c(C)c2ccccc2nc1CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000008729026 569472450 /nfs/dbraw/zinc/47/24/50/569472450.db2.gz BAEMLRHCBHHNHC-ZDUSSCGKSA-N 0 0 425.510 2.928 50 0 IFAARN C[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000008747235 569473084 /nfs/dbraw/zinc/47/30/84/569473084.db2.gz WDXHAQJTSKDKOY-SNVBAGLBSA-N 0 0 442.467 2.616 50 0 IFAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000008749702 569473264 /nfs/dbraw/zinc/47/32/64/569473264.db2.gz VJLVWFXIZUMDEV-UHFFFAOYSA-N 0 0 442.541 2.966 50 0 IFAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1cccc(N2CCCC2=O)c1 ZINC000008751212 569473424 /nfs/dbraw/zinc/47/34/24/569473424.db2.gz ONJVCMBLEAJFEP-FQEVSTJZSA-N 0 0 430.464 2.641 50 0 IFAARN Cc1nc(S[C@H](C)C(=O)Nc2ccccc2F)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000008754056 569473774 /nfs/dbraw/zinc/47/37/74/569473774.db2.gz VXZYJKMPPWHPJY-GFCCVEGCSA-N 0 0 445.520 2.713 50 0 IFAARN Cc1ccc(OCc2nc(CC(=O)NN3C(=O)NC4(CCCCC4)C3=O)cs2)cc1 ZINC000008754227 569473801 /nfs/dbraw/zinc/47/38/01/569473801.db2.gz PJMPANKAAUTYNR-UHFFFAOYSA-N 0 0 428.514 2.859 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)C1=O ZINC000008754760 569473856 /nfs/dbraw/zinc/47/38/56/569473856.db2.gz UQIUBLSZUPKZOD-YKSBVNFPSA-N 0 0 437.496 2.833 50 0 IFAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1F ZINC000008754890 569473910 /nfs/dbraw/zinc/47/39/10/569473910.db2.gz VSMBONSSJHJRSB-UHFFFAOYSA-N 0 0 432.517 2.860 50 0 IFAARN Cc1nn(S(=O)(=O)c2cc(C)ccc2C)c(C)c1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000008755318 569473941 /nfs/dbraw/zinc/47/39/41/569473941.db2.gz DCJGAGFFKTWRMA-CQSZACIVSA-N 0 0 425.576 2.774 50 0 IFAARN CCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N(C)c3ccccc3)c2C)cc1 ZINC000008755218 569473975 /nfs/dbraw/zinc/47/39/75/569473975.db2.gz CWDROKUXKSTAMV-UHFFFAOYSA-N 0 0 449.554 2.961 50 0 IFAARN CC[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2c([O-])[nH]c(=O)n(Cc3ccc(OC)cc3)c2=O)[NH2+]1 ZINC000008764233 569474457 /nfs/dbraw/zinc/47/44/57/569474457.db2.gz MUKRCJBRCWHPMC-NYHFZMIOSA-N 0 0 446.507 2.794 50 0 IFAARN Cc1oc2cc3oc(=O)c(CC(=O)NCCNC(=O)c4ccncc4)c(C)c3cc2c1C ZINC000008764836 569474673 /nfs/dbraw/zinc/47/46/73/569474673.db2.gz YOIXBWLDEDGOJS-UHFFFAOYSA-N 0 0 433.464 2.948 50 0 IFAARN CC(C)n1c(=O)c2c3c(sc2n(CC(=O)NCc2ccccc2)c1=O)COC(C)(C)C3 ZINC000008769921 569475098 /nfs/dbraw/zinc/47/50/98/569475098.db2.gz BIRVHAYXPCEBKI-UHFFFAOYSA-N 0 0 441.553 2.973 50 0 IFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NC[C@@H](C)O)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008789335 569475960 /nfs/dbraw/zinc/47/59/60/569475960.db2.gz FCRZZSUGYDONBZ-ACJLOTCBSA-N 0 0 442.512 2.656 50 0 IFAARN CC(C)CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008791343 569476195 /nfs/dbraw/zinc/47/61/95/569476195.db2.gz ZSCWQEMHSRKYMF-GNOCETLISA-N 0 0 444.535 2.915 50 0 IFAARN CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)CC1 ZINC000008811709 569476623 /nfs/dbraw/zinc/47/66/23/569476623.db2.gz TVCUMJQLOVUVQV-SFHVURJKSA-N 0 0 427.998 2.687 50 0 IFAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008825560 569477402 /nfs/dbraw/zinc/47/74/02/569477402.db2.gz ITBUGXRUMRIHCQ-SFHVURJKSA-N 0 0 431.539 2.913 50 0 IFAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000008848799 569479178 /nfs/dbraw/zinc/47/91/78/569479178.db2.gz ZPCOMJKALGQDOV-UHFFFAOYSA-N 0 0 433.559 2.529 50 0 IFAARN Cc1ccc(N2CCn3c2nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c3=O)cc1 ZINC000008849693 569479320 /nfs/dbraw/zinc/47/93/20/569479320.db2.gz HLYHSFYXZUANCJ-UHFFFAOYSA-N 0 0 445.401 2.523 50 0 IFAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000008855768 569479716 /nfs/dbraw/zinc/47/97/16/569479716.db2.gz WTDGGKCNHBEYBF-OAHLLOKOSA-N 0 0 426.523 2.699 50 0 IFAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000008860735 569479903 /nfs/dbraw/zinc/47/99/03/569479903.db2.gz YZKAPQGQJHTUJW-INIZCTEOSA-N 0 0 425.441 2.672 50 0 IFAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)n1 ZINC000008868077 569480320 /nfs/dbraw/zinc/48/03/20/569480320.db2.gz GFNXDNJXQOXGDM-UHFFFAOYSA-N 0 0 443.934 2.903 50 0 IFAARN COc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(N2CCN(C(C)=O)CC2)o1 ZINC000039404204 569481547 /nfs/dbraw/zinc/48/15/47/569481547.db2.gz ZYTARWJWCNDZPY-UHFFFAOYSA-N 0 0 441.509 2.852 50 0 IFAARN CCn1c(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)nc2ccccc21 ZINC000039980659 569482252 /nfs/dbraw/zinc/48/22/52/569482252.db2.gz QUXIKPPXIYDPAC-UHFFFAOYSA-N 0 0 442.541 2.779 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000039984819 569482303 /nfs/dbraw/zinc/48/23/03/569482303.db2.gz BWKSILFASQWENC-UHFFFAOYSA-N 0 0 437.521 2.695 50 0 IFAARN Cc1cc(CN2CCN(C(=O)c3occc3CS(=O)(=O)c3ccccc3)CC2)on1 ZINC000040018266 569482697 /nfs/dbraw/zinc/48/26/97/569482697.db2.gz RXPVTIMENUZYFN-UHFFFAOYSA-N 0 0 429.498 2.508 50 0 IFAARN O=C(c1occc1CS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2O)CC1 ZINC000040019872 569482699 /nfs/dbraw/zinc/48/26/99/569482699.db2.gz QGDHUOSYZGMZHB-UHFFFAOYSA-N 0 0 426.494 2.922 50 0 IFAARN CCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1cccc(C)c1 ZINC000008882054 569482913 /nfs/dbraw/zinc/48/29/13/569482913.db2.gz XNTRIHIENAVCCJ-UHFFFAOYSA-N 0 0 439.541 2.943 50 0 IFAARN O=C(CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1)Nc1cc(F)cc(F)c1 ZINC000040033497 569483129 /nfs/dbraw/zinc/48/31/29/569483129.db2.gz JHBDNBFZZSKISC-KRWDZBQOSA-N 0 0 428.439 2.821 50 0 IFAARN Cn1c(=O)c2cc(C(=O)N3CCc4sccc4[C@H]3c3cccs3)cnc2n(C)c1=O ZINC000040043039 569483645 /nfs/dbraw/zinc/48/36/45/569483645.db2.gz VBQSNAADKPRDDB-KRWDZBQOSA-N 0 0 438.534 2.543 50 0 IFAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000040057954 569484603 /nfs/dbraw/zinc/48/46/03/569484603.db2.gz MXEQFTHUMKUUDS-UHFFFAOYSA-N 0 0 435.402 2.802 50 0 IFAARN CCCCNC(=O)CN1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000040058341 569484696 /nfs/dbraw/zinc/48/46/96/569484696.db2.gz KSINIHRMRKWDJH-UHFFFAOYSA-N 0 0 432.565 2.637 50 0 IFAARN CCOC(=O)c1sc(NC(=O)COC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1C ZINC000040059752 569484790 /nfs/dbraw/zinc/48/47/90/569484790.db2.gz CHAVWRLNVVYMQV-CQSZACIVSA-N 0 0 448.497 2.860 50 0 IFAARN CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NC[C@H]2CCCO2)s1 ZINC000008912369 569485007 /nfs/dbraw/zinc/48/50/07/569485007.db2.gz VOGKKYBABIGJLC-LLVKDONJSA-N 0 0 436.964 2.624 50 0 IFAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC[C@@H]2CCCO2)s1 ZINC000008912401 569485024 /nfs/dbraw/zinc/48/50/24/569485024.db2.gz UZOLIFVOURAECB-ZDUSSCGKSA-N 0 0 430.573 2.669 50 0 IFAARN O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000040069450 569485329 /nfs/dbraw/zinc/48/53/29/569485329.db2.gz YHPBGGLZYPYWQG-NRFANRHFSA-N 0 0 431.536 2.949 50 0 IFAARN Cc1nc2ccccc2c(=O)n1CCC(=O)OCC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000040072564 569485967 /nfs/dbraw/zinc/48/59/67/569485967.db2.gz FASULNRSUHNFIJ-OAHLLOKOSA-N 0 0 425.460 2.997 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2ccc(OC)c(OC)c2)C(=O)[C@]31C ZINC000008917948 569486166 /nfs/dbraw/zinc/48/61/66/569486166.db2.gz YAQHLYJGYCKSMK-VWLOTQADSA-N 0 0 449.507 2.836 50 0 IFAARN O=C(CSc1ncccc1C(=O)NC1CCC(O)CC1)Nc1ccc2c(c1)OCO2 ZINC000008920489 569486535 /nfs/dbraw/zinc/48/65/35/569486535.db2.gz NBMNYIHGZFALDD-UHFFFAOYSA-N 0 0 429.498 2.574 50 0 IFAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000040080346 569486590 /nfs/dbraw/zinc/48/65/90/569486590.db2.gz ZZQGWHINWUYDQG-HNNXBMFYSA-N 0 0 429.908 2.747 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Cc2ccc(-n3cccc3)cc2)CC1 ZINC000040080563 569486603 /nfs/dbraw/zinc/48/66/03/569486603.db2.gz NSGGEUJRCHNXQH-UHFFFAOYSA-N 0 0 444.601 2.673 50 0 IFAARN COc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)ccc1OCC(=O)N1CCOCC1 ZINC000008924222 569487153 /nfs/dbraw/zinc/48/71/53/569487153.db2.gz PBWXJDVHNCKNFA-UHFFFAOYSA-N 0 0 442.487 2.877 50 0 IFAARN Cn1c2nc(NCc3ccco3)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O ZINC000008926309 569487266 /nfs/dbraw/zinc/48/72/66/569487266.db2.gz NSMLNNXMCANTSI-UHFFFAOYSA-N 0 0 434.283 2.994 50 0 IFAARN COc1cc(OC)c(OC)c2[nH]c(C(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)cc21 ZINC000040091016 569487458 /nfs/dbraw/zinc/48/74/58/569487458.db2.gz JYWWPAILTJZGKF-KRWDZBQOSA-N 0 0 443.500 2.898 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)nc3scc(C)n3c2=O)cc1 ZINC000008931904 569487623 /nfs/dbraw/zinc/48/76/23/569487623.db2.gz SPDWMFRBYULICX-UHFFFAOYSA-N 0 0 434.543 2.656 50 0 IFAARN O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000040104498 569488152 /nfs/dbraw/zinc/48/81/52/569488152.db2.gz RYTGADQRTKMXAL-VQIMIIECSA-N 0 0 444.557 2.859 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 ZINC000008940028 569488280 /nfs/dbraw/zinc/48/82/80/569488280.db2.gz JLVRPPDFDPHHFA-CJFMBICVSA-N 0 0 449.507 2.761 50 0 IFAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccc(-n2cncn2)nc1 ZINC000040107040 569488401 /nfs/dbraw/zinc/48/84/01/569488401.db2.gz HABCSSQPQBZHFG-HNNXBMFYSA-N 0 0 448.430 2.800 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCCOc1cccc(Cl)c1 ZINC000040113617 569488967 /nfs/dbraw/zinc/48/89/67/569488967.db2.gz FRNWYPPCWDVXKR-QFIPXVFZSA-N 0 0 427.888 2.619 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCCOc1cccc(Cl)c1 ZINC000040113620 569488996 /nfs/dbraw/zinc/48/89/96/569488996.db2.gz FRNWYPPCWDVXKR-JOCHJYFZSA-N 0 0 427.888 2.619 50 0 IFAARN COc1ccc(CC(=O)NCCn2ncc3c2nc(SC)nc3N2CCCCC2)cc1 ZINC000008946084 569489029 /nfs/dbraw/zinc/48/90/29/569489029.db2.gz KWJHYOPWSPYXPP-UHFFFAOYSA-N 0 0 440.573 2.906 50 0 IFAARN COc1ccc(CCC(=O)NCCn2ncc3c2nc(SC)nc3N2CCCC2)cc1 ZINC000008946939 569489119 /nfs/dbraw/zinc/48/91/19/569489119.db2.gz QHELDLYAUMPHDJ-UHFFFAOYSA-N 0 0 440.573 2.906 50 0 IFAARN CSc1nc2c(cnn2CCNC(=O)c2ccc3ccccc3c2)c(N2CCOCC2)n1 ZINC000008947306 569489125 /nfs/dbraw/zinc/48/91/25/569489125.db2.gz ZPQVXSZAXKBBNV-UHFFFAOYSA-N 0 0 448.552 2.968 50 0 IFAARN CSc1nc2c(cnn2CCNC(=O)COc2ccc(Cl)cc2)c(N2CCCC2)n1 ZINC000008946693 569489138 /nfs/dbraw/zinc/48/91/38/569489138.db2.gz VAPUOIKJODTGKF-UHFFFAOYSA-N 0 0 446.964 2.997 50 0 IFAARN C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O ZINC000040116578 569489304 /nfs/dbraw/zinc/48/93/04/569489304.db2.gz CYYUFCGYFKPEHE-GOSISDBHSA-N 0 0 426.416 2.946 50 0 IFAARN Cc1cc(C(=O)N2CCN(C(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)CC2)on1 ZINC000040122782 569489619 /nfs/dbraw/zinc/48/96/19/569489619.db2.gz PFYGOHQYSYHWOS-UHFFFAOYSA-N 0 0 428.489 2.606 50 0 IFAARN O=C(CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)Nc1ccc(F)cc1 ZINC000040128132 569489761 /nfs/dbraw/zinc/48/97/61/569489761.db2.gz KIQGSPRVGDWHOL-UHFFFAOYSA-N 0 0 429.267 2.580 50 0 IFAARN O=C([C@@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCN(CCOc2ccccc2)CC1 ZINC000040130630 569490283 /nfs/dbraw/zinc/49/02/83/569490283.db2.gz VZOZTONGDJFPKQ-GOSISDBHSA-N 0 0 429.952 2.570 50 0 IFAARN COc1cc(C(=O)NC(=S)NN2CCCC[C@@H]2c2cccnc2)cc(OC)c1OC ZINC000008964868 569491248 /nfs/dbraw/zinc/49/12/48/569491248.db2.gz WVURGXTYETZXEO-MRXNPFEDSA-N 0 0 430.530 2.854 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)C1 ZINC000008965154 569491346 /nfs/dbraw/zinc/49/13/46/569491346.db2.gz IXAQCWPXSWJUDU-SFHVURJKSA-N 0 0 436.512 2.606 50 0 IFAARN O=C(CNC(=O)c1cnc2ccccc2c1O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000040145193 569492115 /nfs/dbraw/zinc/49/21/15/569492115.db2.gz URUYMPLIOPNPFW-HNNXBMFYSA-N 0 0 429.480 2.540 50 0 IFAARN C[C@@]1(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCS(=O)(=O)C1 ZINC000069084680 569492389 /nfs/dbraw/zinc/49/23/89/569492389.db2.gz MHHHRCUBLQJJSF-WIYYLYMNSA-N 0 0 434.945 2.895 50 0 IFAARN COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NCc1ccc(F)cc1)CCS3 ZINC000008974270 569492883 /nfs/dbraw/zinc/49/28/83/569492883.db2.gz WYRSCOVBVUJSIB-UHFFFAOYSA-N 0 0 438.484 2.921 50 0 IFAARN COC(=O)CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000040150630 569493157 /nfs/dbraw/zinc/49/31/57/569493157.db2.gz AXOBMFGWZNITRA-UHFFFAOYSA-N 0 0 433.302 2.771 50 0 IFAARN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC(C(=O)Nc2cnccn2)CC1 ZINC000040151451 569493266 /nfs/dbraw/zinc/49/32/66/569493266.db2.gz FTZHELBJDKQHTL-CYBMUJFWSA-N 0 0 432.322 2.917 50 0 IFAARN Cc1oc(C(=O)NCCNc2ncc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000040154660 569493859 /nfs/dbraw/zinc/49/38/59/569493859.db2.gz BXRKCDHSMKEJSW-UHFFFAOYSA-N 0 0 447.344 2.916 50 0 IFAARN Cc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)Nc3nc4ccccc4s3)CC2)c1 ZINC000040155895 569494013 /nfs/dbraw/zinc/49/40/13/569494013.db2.gz OORUNFIMUNDKPL-UHFFFAOYSA-N 0 0 432.527 2.849 50 0 IFAARN COc1ccc2cc([C@H](C)C(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)ccc2c1 ZINC000040157461 569494340 /nfs/dbraw/zinc/49/43/40/569494340.db2.gz MPVDRXOPKIWHIS-ZACQAIPSSA-N 0 0 434.558 2.507 50 0 IFAARN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000040157725 569494379 /nfs/dbraw/zinc/49/43/79/569494379.db2.gz OJHOXQXAWKKJGR-QKVFXAPYSA-N 0 0 427.482 2.647 50 0 IFAARN CSCC[C@H](C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)N1C(=O)c2ccccc2C1=O ZINC000040158916 569494634 /nfs/dbraw/zinc/49/46/34/569494634.db2.gz LQCUFJLJUWXCSI-OSGQAZFXSA-N 0 0 446.569 2.888 50 0 IFAARN CCCCc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)cc1 ZINC000009001194 569495949 /nfs/dbraw/zinc/49/59/49/569495949.db2.gz XYZIVELURAQCBN-UHFFFAOYSA-N 0 0 443.507 2.983 50 0 IFAARN Cc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)cc1Cl ZINC000009001339 569495984 /nfs/dbraw/zinc/49/59/84/569495984.db2.gz HGCZLODUCTWYCE-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN COc1cccc(N2C[C@@H](CNC(=O)c3ccnc(OCC4CCOCC4)c3)OC2=O)c1 ZINC000244950821 569496546 /nfs/dbraw/zinc/49/65/46/569496546.db2.gz FNJIUPAOIMROIF-HXUWFJFHSA-N 0 0 441.484 2.651 50 0 IFAARN CCOc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccccc2OC)cc1 ZINC000009014432 569496698 /nfs/dbraw/zinc/49/66/98/569496698.db2.gz JOJFOEIKLCSKBF-UHFFFAOYSA-N 0 0 445.479 2.750 50 0 IFAARN O=c1c(Cl)c(N2CCC(C3OCCO3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000069198870 569496905 /nfs/dbraw/zinc/49/69/05/569496905.db2.gz ZMVLFPHXSXFOPV-UHFFFAOYSA-N 0 0 430.814 2.889 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000009034024 569497189 /nfs/dbraw/zinc/49/71/89/569497189.db2.gz GSUBWGJXTLKMFA-YCRPNKLZSA-N 0 0 444.871 2.834 50 0 IFAARN COc1ccc(N2C(=O)C[C@]3(CC(c4cc(OC)c(OC)cc4OC)=NO3)C2=O)cc1 ZINC000040266368 569497224 /nfs/dbraw/zinc/49/72/24/569497224.db2.gz QWODXDNOCOPASF-JOCHJYFZSA-N 0 0 426.425 2.548 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000009033981 569497227 /nfs/dbraw/zinc/49/72/27/569497227.db2.gz IWVFNFUVXBTIBC-XOBRGWDASA-N 0 0 432.379 2.781 50 0 IFAARN COc1ccc(OC)c2[nH]c(C(=O)NCCNC(=O)c3ccc(Br)o3)cc21 ZINC000040267328 569497375 /nfs/dbraw/zinc/49/73/75/569497375.db2.gz RSBYXMUSEVRDEU-UHFFFAOYSA-N 0 0 436.262 2.700 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000009045773 569498117 /nfs/dbraw/zinc/49/81/17/569498117.db2.gz ZJPSBMPZWALISZ-DOTOQJQBSA-N 0 0 436.487 2.524 50 0 IFAARN C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000009045778 569498162 /nfs/dbraw/zinc/49/81/62/569498162.db2.gz ZJPSBMPZWALISZ-RDJZCZTQSA-N 0 0 436.487 2.524 50 0 IFAARN O=c1[nH]nc(SCc2nnc(-c3ccc(Br)s3)o2)n1C[C@H]1CCCO1 ZINC000009050015 569498609 /nfs/dbraw/zinc/49/86/09/569498609.db2.gz SQPXIDMODOPBNI-MRVPVSSYSA-N 0 0 444.336 2.917 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N(C)Cc1nnc(-c2ccccc2Br)o1 ZINC000009053393 569498805 /nfs/dbraw/zinc/49/88/05/569498805.db2.gz WUZNXKSZALBKDT-UHFFFAOYSA-N 0 0 427.280 2.925 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](NC(=O)Nc1ccccc1)C(C)C ZINC000009053457 569498808 /nfs/dbraw/zinc/49/88/08/569498808.db2.gz OCKGFROUCKXKDD-LJQANCHMSA-N 0 0 448.545 2.730 50 0 IFAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O ZINC000009056658 569499120 /nfs/dbraw/zinc/49/91/20/569499120.db2.gz ZRSOSHJILVYIKG-CRICUBBOSA-N 0 0 445.475 2.563 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)C1 ZINC000040355722 569499774 /nfs/dbraw/zinc/49/97/74/569499774.db2.gz GKHYTCDRXBKIOU-CYBMUJFWSA-N 0 0 431.470 2.539 50 0 IFAARN O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009085298 569500542 /nfs/dbraw/zinc/50/05/42/569500542.db2.gz WONYQDGMMVXMSY-UHFFFAOYSA-N 0 0 442.493 2.985 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 ZINC000009096870 569501482 /nfs/dbraw/zinc/50/14/82/569501482.db2.gz ONDWPIPBKAUWQV-UHFFFAOYSA-N 0 0 430.526 2.927 50 0 IFAARN COc1ccc(OC)c([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C(=O)N2CCCC2)c1 ZINC000245279955 569502080 /nfs/dbraw/zinc/50/20/80/569502080.db2.gz KYNDDQBBLJLNNH-NHCUHLMSSA-N 0 0 444.553 2.731 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NC[C@H]1CCCO1)C2 ZINC000245280859 569502137 /nfs/dbraw/zinc/50/21/37/569502137.db2.gz UYYVUGCEDNFQSZ-AOHZBQACSA-N 0 0 439.531 2.997 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)Nc3cccc(C)n3)C(C)C)cc2C[C@@H]1C ZINC000009118209 569503287 /nfs/dbraw/zinc/50/32/87/569503287.db2.gz HBOVVHUEZANIMY-BTYIYWSLSA-N 0 0 444.557 2.629 50 0 IFAARN CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)cc1 ZINC000009124497 569504327 /nfs/dbraw/zinc/50/43/27/569504327.db2.gz AQKVMEDODBONBJ-UHFFFAOYSA-N 0 0 435.459 2.635 50 0 IFAARN Cn1c(=O)c2c3c(sc2nc1SCC(=O)c1ccc2c(c1)NC(=O)CO2)CCC3 ZINC000009125023 569504540 /nfs/dbraw/zinc/50/45/40/569504540.db2.gz PGSOTMKTRNZETD-UHFFFAOYSA-N 0 0 427.507 2.790 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCSCc3ccco3)c2)C[C@@H](C)O1 ZINC000009125729 569504717 /nfs/dbraw/zinc/50/47/17/569504717.db2.gz ZPRIMQCHBBWGQF-HZPDHXFCSA-N 0 0 438.571 2.741 50 0 IFAARN Cn1c(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nnc1-c1cccnc1 ZINC000009126214 569504855 /nfs/dbraw/zinc/50/48/55/569504855.db2.gz PFGKSLFATGULJT-UHFFFAOYSA-N 0 0 437.934 2.665 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000009126822 569505032 /nfs/dbraw/zinc/50/50/32/569505032.db2.gz HGJYXIPIFXLQIE-UHFFFAOYSA-N 0 0 434.543 2.826 50 0 IFAARN Cc1ccccc1-n1cnnc1SCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009127256 569505175 /nfs/dbraw/zinc/50/51/75/569505175.db2.gz UXRWVLSLDKABDL-GOSISDBHSA-N 0 0 442.566 2.888 50 0 IFAARN COC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000009127800 569505254 /nfs/dbraw/zinc/50/52/54/569505254.db2.gz UQJCGSJZVBSJKM-UHFFFAOYSA-N 0 0 442.512 2.678 50 0 IFAARN COc1ccc(C(=O)NCC(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1 ZINC000009127806 569505264 /nfs/dbraw/zinc/50/52/64/569505264.db2.gz SZYNBEUBGLCFQK-UHFFFAOYSA-N 0 0 426.391 2.832 50 0 IFAARN CCOC(=O)C1=C(COc2ncnc3ccccc32)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000009128209 569505363 /nfs/dbraw/zinc/50/53/63/569505363.db2.gz XELSWMRZZCYRMN-HXUWFJFHSA-N 0 0 434.452 2.889 50 0 IFAARN COc1cc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)cc(OC)c1OC ZINC000009130227 569505952 /nfs/dbraw/zinc/50/59/52/569505952.db2.gz OWZPUWKVLGKURU-LJQANCHMSA-N 0 0 436.258 2.888 50 0 IFAARN Cc1cccc(OC[C@H](O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC000069416223 569506199 /nfs/dbraw/zinc/50/61/99/569506199.db2.gz UBYRVUGPJZCXLD-CTNGQTDRSA-N 0 0 428.529 2.987 50 0 IFAARN Cc1ccc(Cn2nnc3c2ncn(CC(=O)Nc2ccc(Cl)cc2F)c3=O)cc1 ZINC000040478028 569506664 /nfs/dbraw/zinc/50/66/64/569506664.db2.gz MRQPDHCMSWWPMC-UHFFFAOYSA-N 0 0 426.839 2.776 50 0 IFAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2cccc(C(C)C)c2)c3=O)c1 ZINC000040478167 569506718 /nfs/dbraw/zinc/50/67/18/569506718.db2.gz IWDZLIWOBPLDNS-UHFFFAOYSA-N 0 0 432.484 2.807 50 0 IFAARN CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O ZINC000040478538 569506765 /nfs/dbraw/zinc/50/67/65/569506765.db2.gz OQCVTULUMIJKOH-UHFFFAOYSA-N 0 0 441.484 2.628 50 0 IFAARN C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009130951 569506956 /nfs/dbraw/zinc/50/69/56/569506956.db2.gz SUVZBKMVHJVQOR-HNNXBMFYSA-N 0 0 431.514 2.681 50 0 IFAARN COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000009151857 569507615 /nfs/dbraw/zinc/50/76/15/569507615.db2.gz MUKZMEPWZITRME-UHFFFAOYSA-N 0 0 441.553 2.992 50 0 IFAARN COc1ccc(CNC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000009152805 569507898 /nfs/dbraw/zinc/50/78/98/569507898.db2.gz CSUKHLBQGIDZQU-UONOGXRCSA-N 0 0 448.566 2.997 50 0 IFAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O ZINC000009155755 569508317 /nfs/dbraw/zinc/50/83/17/569508317.db2.gz BFQMDJODMNPTRM-NRFANRHFSA-N 0 0 442.313 2.801 50 0 IFAARN CCCCn1c2ncn(Cc3ccco3)c2c(=O)n(CC(=O)c2cc(C)n(C)c2C)c1=O ZINC000009156785 569508331 /nfs/dbraw/zinc/50/83/31/569508331.db2.gz PTJYLYIQKOYUIA-UHFFFAOYSA-N 0 0 437.500 2.639 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2ccccc2Cl)c1=O)CCCN3Cc1ccco1 ZINC000009156925 569508382 /nfs/dbraw/zinc/50/83/82/569508382.db2.gz GBUKXXGZCWQQNA-UHFFFAOYSA-N 0 0 425.876 2.602 50 0 IFAARN C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009168195 569509066 /nfs/dbraw/zinc/50/90/66/569509066.db2.gz YBRSFUWZFDMXPF-CQSZACIVSA-N 0 0 449.602 2.986 50 0 IFAARN CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC(C)C ZINC000009186372 569510186 /nfs/dbraw/zinc/51/01/86/569510186.db2.gz XETHEVMKXOHDGK-YRNRMSPPSA-N 0 0 435.615 2.798 50 0 IFAARN CCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc12 ZINC000009186382 569510204 /nfs/dbraw/zinc/51/02/04/569510204.db2.gz KSXVMCQQKRSBNP-UHFFFAOYSA-N 0 0 430.482 2.719 50 0 IFAARN COc1ccc(Cn2c(C)cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)cc1 ZINC000009187745 569510478 /nfs/dbraw/zinc/51/04/78/569510478.db2.gz XXSNIBVVFPQBMJ-UHFFFAOYSA-N 0 0 447.470 2.702 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccccc3F)n2C)c1 ZINC000009190123 569510527 /nfs/dbraw/zinc/51/05/27/569510527.db2.gz GFOKHBPOSFXDHD-UHFFFAOYSA-N 0 0 429.477 2.875 50 0 IFAARN COc1cccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccccc4)CC2)[nH]c3=O)c1 ZINC000009195567 569510994 /nfs/dbraw/zinc/51/09/94/569510994.db2.gz ZWJHFWQVARCDDL-UHFFFAOYSA-N 0 0 444.495 2.591 50 0 IFAARN CCCCn1c2nc(CSc3nnc(-c4ccoc4C)o3)n(CC)c2c(=O)[nH]c1=O ZINC000009202457 569511220 /nfs/dbraw/zinc/51/12/20/569511220.db2.gz PBUUKEVFHIDVIW-UHFFFAOYSA-N 0 0 430.490 2.950 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@@H]4c2ccc(O)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000009215909 569512062 /nfs/dbraw/zinc/51/20/62/569512062.db2.gz YQEAMOVJUQZBEM-JOCHJYFZSA-N 0 0 433.464 2.540 50 0 IFAARN COc1ccc(S(=O)(=O)N2CN(C[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000009216199 569512169 /nfs/dbraw/zinc/51/21/69/569512169.db2.gz AOIJDWGTAJGIJB-INIZCTEOSA-N 0 0 426.498 2.790 50 0 IFAARN CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000009216874 569512218 /nfs/dbraw/zinc/51/22/18/569512218.db2.gz LHUGVOQXHIHALB-XOBRGWDASA-N 0 0 443.525 2.940 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCC3CCCCC3)CC2=O)cc1 ZINC000009217177 569512282 /nfs/dbraw/zinc/51/22/82/569512282.db2.gz JZNJIIAOEPZUTP-GOSISDBHSA-N 0 0 435.590 2.767 50 0 IFAARN COc1ccc(CCNC(=O)COC(=O)c2ccc(OC(F)F)c(OC)c2)cc1OC ZINC000009217797 569512335 /nfs/dbraw/zinc/51/23/35/569512335.db2.gz DMXIIUUOJDBMAE-UHFFFAOYSA-N 0 0 439.411 2.830 50 0 IFAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)NC[C@H]1COc2ccccc2O1 ZINC000009222144 569512677 /nfs/dbraw/zinc/51/26/77/569512677.db2.gz XDQAQGLYVNJOEZ-INIZCTEOSA-N 0 0 433.493 2.864 50 0 IFAARN COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000009224673 569513175 /nfs/dbraw/zinc/51/31/75/569513175.db2.gz OQXUPXSSPOSENE-UHFFFAOYSA-N 0 0 432.527 2.928 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccc2-n2cnnn2)c1C ZINC000009222638 569512766 /nfs/dbraw/zinc/51/27/66/569512766.db2.gz FEQJASVUERCDBK-SFHVURJKSA-N 0 0 434.500 2.539 50 0 IFAARN O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009223630 569512991 /nfs/dbraw/zinc/51/29/91/569512991.db2.gz DVOLGRIDCFQMFM-UHFFFAOYSA-N 0 0 436.537 2.508 50 0 IFAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000009226214 569513250 /nfs/dbraw/zinc/51/32/50/569513250.db2.gz KOSBUKPJEPPMKE-UHFFFAOYSA-N 0 0 443.525 2.840 50 0 IFAARN COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009243076 569514749 /nfs/dbraw/zinc/51/47/49/569514749.db2.gz GGQKKIINWSWFBC-NRFANRHFSA-N 0 0 439.468 3.000 50 0 IFAARN O=S(=O)(c1ccc(SCc2cc(Cl)c3c(c2)OCCO3)nc1)N1CCOCC1 ZINC000009244609 569515074 /nfs/dbraw/zinc/51/50/74/569515074.db2.gz RKJWSBACYZLFFV-UHFFFAOYSA-N 0 0 442.946 2.819 50 0 IFAARN O=C(COC(=O)c1n[nH]c2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009245246 569515253 /nfs/dbraw/zinc/51/52/53/569515253.db2.gz BIGKZBOVSJMQCL-UHFFFAOYSA-N 0 0 442.497 2.533 50 0 IFAARN O=C(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000009245715 569515361 /nfs/dbraw/zinc/51/53/61/569515361.db2.gz PUSWBPIXQPUZHK-UHFFFAOYSA-N 0 0 439.468 2.884 50 0 IFAARN C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O ZINC000009245873 569515470 /nfs/dbraw/zinc/51/54/70/569515470.db2.gz IEJFZGCZQRILEX-NRFANRHFSA-N 0 0 431.395 2.532 50 0 IFAARN COc1ccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2ccc(C)cc2)cc1OC ZINC000009252641 569516041 /nfs/dbraw/zinc/51/60/41/569516041.db2.gz JGIYKYBQFMGPGB-RTWAWAEBSA-N 0 0 434.496 2.937 50 0 IFAARN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2ccc(O)cc2O)OCC3(C)C)c(=O)n(C)c1=O ZINC000009252831 569516056 /nfs/dbraw/zinc/51/60/56/569516056.db2.gz MCJYJLSMSKFPIM-JOCHJYFZSA-N 0 0 447.491 2.972 50 0 IFAARN Cc1cc(C)n2nc(SCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2n1 ZINC000009253207 569516160 /nfs/dbraw/zinc/51/61/60/569516160.db2.gz AYTMXMAAMBYTTA-MRXNPFEDSA-N 0 0 425.514 2.968 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1C ZINC000009253404 569516196 /nfs/dbraw/zinc/51/61/96/569516196.db2.gz BTWZVSQWTWOZHM-UHFFFAOYSA-N 0 0 437.481 2.815 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3F)n2)cc1 ZINC000009253870 569516225 /nfs/dbraw/zinc/51/62/25/569516225.db2.gz AGOLTKGYQODKTK-UHFFFAOYSA-N 0 0 435.506 2.592 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(COC)cc2)c(=O)[nH]c1=O ZINC000009253755 569516227 /nfs/dbraw/zinc/51/62/27/569516227.db2.gz FCFNACCWRJOMGN-UHFFFAOYSA-N 0 0 436.512 2.912 50 0 IFAARN CN(C(=O)CCCc1c[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009254020 569516326 /nfs/dbraw/zinc/51/63/26/569516326.db2.gz FEGKTOIBQWQPEN-UHFFFAOYSA-N 0 0 431.496 2.634 50 0 IFAARN O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009254546 569516339 /nfs/dbraw/zinc/51/63/39/569516339.db2.gz IJCLHGWLTVEGAI-UHFFFAOYSA-N 0 0 447.520 2.567 50 0 IFAARN CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1N1CCCC1=O ZINC000009254448 569516372 /nfs/dbraw/zinc/51/63/72/569516372.db2.gz LZGZTMJEQWVWRW-UHFFFAOYSA-N 0 0 438.513 2.919 50 0 IFAARN COc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1S(N)(=O)=O ZINC000009254863 569516420 /nfs/dbraw/zinc/51/64/20/569516420.db2.gz ZCEFOYKSNIGAAG-UHFFFAOYSA-N 0 0 431.333 2.836 50 0 IFAARN C[C@H](Nc1ccc(F)c(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009255616 569516573 /nfs/dbraw/zinc/51/65/73/569516573.db2.gz MEJJHHPBFKOKBG-ZDUSSCGKSA-N 0 0 441.912 2.939 50 0 IFAARN Cn1c(SCC(=O)c2ccc(S(C)(=O)=O)cc2)nnc1[C@@H]1COc2ccccc2O1 ZINC000009255523 569516586 /nfs/dbraw/zinc/51/65/86/569516586.db2.gz AOMQAULZBFXAKS-SFHVURJKSA-N 0 0 445.522 2.706 50 0 IFAARN C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009255620 569516588 /nfs/dbraw/zinc/51/65/88/569516588.db2.gz MEJJHHPBFKOKBG-CYBMUJFWSA-N 0 0 441.912 2.939 50 0 IFAARN CC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)s1 ZINC000009255544 569516593 /nfs/dbraw/zinc/51/65/93/569516593.db2.gz KFSWEDUFYINUIH-QFIPXVFZSA-N 0 0 425.510 2.523 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009255869 569516667 /nfs/dbraw/zinc/51/66/67/569516667.db2.gz VDOJNRNSJBJPLJ-HNNXBMFYSA-N 0 0 434.543 2.933 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cn1nnc2ccccc21 ZINC000009257332 569516832 /nfs/dbraw/zinc/51/68/32/569516832.db2.gz REUDFLVKLPUVED-UHFFFAOYSA-N 0 0 443.529 2.643 50 0 IFAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)c1 ZINC000009263282 569517111 /nfs/dbraw/zinc/51/71/11/569517111.db2.gz WGFBTRQWZPGLFB-UHFFFAOYSA-N 0 0 439.497 2.513 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CCNC(=O)c2ccccc2F)n1C ZINC000009262980 569517121 /nfs/dbraw/zinc/51/71/21/569517121.db2.gz MBVIOFDCDQTPDR-YOEHRIQHSA-N 0 0 433.553 2.714 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(S[C@@H](C)C(=O)Nc2nccs2)n1C ZINC000009263591 569517203 /nfs/dbraw/zinc/51/72/03/569517203.db2.gz YGTPEWYSIDQUQB-NSHDSACASA-N 0 0 432.531 2.581 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(S[C@H](C)C(=O)Nc2nc(C)cs2)n1C ZINC000009264063 569517319 /nfs/dbraw/zinc/51/73/19/569517319.db2.gz PWBZXKGMEGINKI-GFCCVEGCSA-N 0 0 446.558 2.889 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3cccc(C)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009269329 569517569 /nfs/dbraw/zinc/51/75/69/569517569.db2.gz ZQNQIVRAZWBSTR-VQTJNVASSA-N 0 0 427.526 2.604 50 0 IFAARN Cc1cc(C)cc(NC(=O)CN2C(=O)N(c3cc(C)cc(C)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009269415 569517650 /nfs/dbraw/zinc/51/76/50/569517650.db2.gz MTCICKHHMFWEAV-RTWAWAEBSA-N 0 0 441.553 2.967 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3cc(C)cc(C)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009269343 569517653 /nfs/dbraw/zinc/51/76/53/569517653.db2.gz QLNGSRWZURGZTM-LEWJYISDSA-N 0 0 441.553 2.912 50 0 IFAARN COc1cc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc(OC)c1OC ZINC000009281786 569518625 /nfs/dbraw/zinc/51/86/25/569518625.db2.gz KRZOQXQLPIRKLY-TXAFXTDUSA-N 0 0 427.507 2.956 50 0 IFAARN COC(=O)c1cc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)cc(C(=O)OC)c1 ZINC000009283279 569518843 /nfs/dbraw/zinc/51/88/43/569518843.db2.gz OKYUWSJLGLYZOK-UHFFFAOYSA-N 0 0 426.454 2.776 50 0 IFAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009283829 569518979 /nfs/dbraw/zinc/51/89/79/569518979.db2.gz FGNBBPGOAYSFBS-CQSZACIVSA-N 0 0 440.616 2.974 50 0 IFAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000009284803 569519138 /nfs/dbraw/zinc/51/91/38/569519138.db2.gz KYXLYSAPTBLDPN-OAHLLOKOSA-N 0 0 426.494 2.895 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)cc1 ZINC000009285234 569519179 /nfs/dbraw/zinc/51/91/79/569519179.db2.gz BTZHOGFJTVBVFR-UHFFFAOYSA-N 0 0 445.522 2.696 50 0 IFAARN CCCOc1ccc(CNC(=O)Cn2ncn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1 ZINC000009287298 569519254 /nfs/dbraw/zinc/51/92/54/569519254.db2.gz QHJPAQWENWULGV-UHFFFAOYSA-N 0 0 447.495 2.672 50 0 IFAARN Cc1cc(NC(=O)C2=CC(c3cccs3)=NS(=O)(=O)N2C)n(-c2ccccc2)n1 ZINC000009290154 569519707 /nfs/dbraw/zinc/51/97/07/569519707.db2.gz WRHZWZPHYUJCMW-UHFFFAOYSA-N 0 0 427.511 2.744 50 0 IFAARN C[C@H]1Cn2c3c(nc2N(Cc2ccccc2)C1)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000009291957 569519944 /nfs/dbraw/zinc/51/99/44/569519944.db2.gz WRKIYHUOQVMIQR-MRXNPFEDSA-N 0 0 433.487 2.740 50 0 IFAARN C[C@H]1Cn2c3c(nc2N(CCc2ccccc2)C1)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000009292577 569519980 /nfs/dbraw/zinc/51/99/80/569519980.db2.gz YAIDYKKCPDWMTE-QGZVFWFLSA-N 0 0 447.514 2.783 50 0 IFAARN COCCCn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C ZINC000009297212 569520545 /nfs/dbraw/zinc/52/05/45/569520545.db2.gz RWMCFWYPCRDZFD-UHFFFAOYSA-N 0 0 429.908 2.504 50 0 IFAARN CCn1cc2nc(SCC(=O)NCc3ccco3)n(CCc3ccccc3)c(=O)c2n1 ZINC000009299908 569520603 /nfs/dbraw/zinc/52/06/03/569520603.db2.gz BPYOJGBRHLUZKF-UHFFFAOYSA-N 0 0 437.525 2.857 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(SC)c1 ZINC000009300939 569520639 /nfs/dbraw/zinc/52/06/39/569520639.db2.gz VLYIXAIWHGEIHO-UHFFFAOYSA-N 0 0 439.559 2.789 50 0 IFAARN COC(=O)C1CCN(C(=O)[C@H]2CCc3sc(NC(=O)c4ccc(OC)cc4)nc32)CC1 ZINC000009301151 569520685 /nfs/dbraw/zinc/52/06/85/569520685.db2.gz WIVULPUHGYOTSD-INIZCTEOSA-N 0 0 443.525 2.845 50 0 IFAARN CN(C)c1ccc([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000009302688 569520914 /nfs/dbraw/zinc/52/09/14/569520914.db2.gz RHJKRDYFRDRJGQ-HSZRJFAPSA-N 0 0 430.508 2.891 50 0 IFAARN COc1ccc(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OC ZINC000009305151 569521243 /nfs/dbraw/zinc/52/12/43/569521243.db2.gz FSLYCGJVTDOZBD-UHFFFAOYSA-N 0 0 439.512 2.627 50 0 IFAARN COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000009314515 569522010 /nfs/dbraw/zinc/52/20/10/569522010.db2.gz SQQKIWCETYTWMD-IBGZPJMESA-N 0 0 426.469 2.800 50 0 IFAARN CCn1cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)CCC3)c(=O)n2Cc1ccccc1 ZINC000009315027 569522044 /nfs/dbraw/zinc/52/20/44/569522044.db2.gz NWNLUTAPKXSVBT-UHFFFAOYSA-N 0 0 443.507 2.555 50 0 IFAARN C[C@H]1CCc2nc(NC(=O)c3nn([C@@H]4CCS(=O)(=O)C4)c4c3CCCC4)sc2C1 ZINC000040988236 569523199 /nfs/dbraw/zinc/52/31/99/569523199.db2.gz ISZCLNQQYLQFFO-QWHCGFSZSA-N 0 0 434.587 2.955 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)N1CCc2ccccc21 ZINC000009335133 569523271 /nfs/dbraw/zinc/52/32/71/569523271.db2.gz KAYIPGPSDHBMHO-UHFFFAOYSA-N 0 0 447.468 2.810 50 0 IFAARN COc1ccc(CCNC(=O)CSCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000009337958 569523554 /nfs/dbraw/zinc/52/35/54/569523554.db2.gz REFXWOJMIVTTRG-HNNXBMFYSA-N 0 0 426.542 2.841 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000009339295 569523695 /nfs/dbraw/zinc/52/36/95/569523695.db2.gz CGHRHPXUNAOTRQ-UHFFFAOYSA-N 0 0 449.891 2.653 50 0 IFAARN Cc1cc(C)c2c(n1)sc1c2ncn(Cc2cccc(S(=O)(=O)N(C)C)c2)c1=O ZINC000009339331 569523706 /nfs/dbraw/zinc/52/37/06/569523706.db2.gz NNZBUFLLXCVANZ-UHFFFAOYSA-N 0 0 428.539 2.922 50 0 IFAARN Cc1cc(NC(=O)COC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)n(C)n1 ZINC000069924544 569523931 /nfs/dbraw/zinc/52/39/31/569523931.db2.gz SJMKVAATSJFLBA-UHFFFAOYSA-N 0 0 433.530 2.614 50 0 IFAARN COc1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041024853 569524519 /nfs/dbraw/zinc/52/45/19/569524519.db2.gz HNBJTMGRXPXXKM-KRWDZBQOSA-N 0 0 441.509 2.936 50 0 IFAARN Cc1ccc(-c2c3c(c4n2CCO[C@H]4c2ccc4c(c2)OCO4)n(C)c(=O)n(C)c3=O)cc1 ZINC000009348849 569524579 /nfs/dbraw/zinc/52/45/79/569524579.db2.gz BPHZVWOEWQBJEM-QHCPKHFHSA-N 0 0 445.475 2.862 50 0 IFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(OC)cc3)C2)c1 ZINC000009349062 569524617 /nfs/dbraw/zinc/52/46/17/569524617.db2.gz QATWIFHFWRGYNA-LJQANCHMSA-N 0 0 437.543 2.568 50 0 IFAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1)N1CCOCC1 ZINC000009365190 569526121 /nfs/dbraw/zinc/52/61/21/569526121.db2.gz GWRHEXSCYDJEAW-HNNXBMFYSA-N 0 0 427.530 2.556 50 0 IFAARN Cc1cc(Br)c(NC(=O)CN2CCCC[C@H]2C(N)=O)c(Br)c1 ZINC000009365482 569526161 /nfs/dbraw/zinc/52/61/61/569526161.db2.gz KZAISCLSWMZUKU-LBPRGKRZSA-N 0 0 433.144 2.798 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3nccs3)s2)c(OC)c1 ZINC000009366153 569526218 /nfs/dbraw/zinc/52/62/18/569526218.db2.gz UGHDJQMWJVKJJV-UHFFFAOYSA-N 0 0 437.528 2.995 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000009369860 569526825 /nfs/dbraw/zinc/52/68/25/569526825.db2.gz GHOVRLJTAMPXNW-GTVARFKMSA-N 0 0 439.924 2.847 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)c1 ZINC000009372924 569526913 /nfs/dbraw/zinc/52/69/13/569526913.db2.gz XSIPDJAENBMQGJ-UHFFFAOYSA-N 0 0 446.312 2.621 50 0 IFAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000009378221 569527564 /nfs/dbraw/zinc/52/75/64/569527564.db2.gz UKRKNRCWZHQUMN-UHFFFAOYSA-N 0 0 437.506 2.740 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H]1CCCc3ccccc31)n2C ZINC000009378193 569527607 /nfs/dbraw/zinc/52/76/07/569527607.db2.gz QHOCWKZSYSONCB-IBGZPJMESA-N 0 0 440.569 2.950 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000009379513 569527711 /nfs/dbraw/zinc/52/77/11/569527711.db2.gz YYGFAQUVBMIHBT-NRFANRHFSA-N 0 0 426.542 2.623 50 0 IFAARN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)c2c[nH]c3ccccc32)cc1 ZINC000009379010 569527714 /nfs/dbraw/zinc/52/77/14/569527714.db2.gz QZBJZKPNZBTNRE-PXNSSMCTSA-N 0 0 425.554 2.917 50 0 IFAARN Cc1nc(C(=O)N2CSC[C@@H]2C(=O)NCC(F)(F)F)nn1-c1ccccc1C(C)C ZINC000070004668 569527823 /nfs/dbraw/zinc/52/78/23/569527823.db2.gz UABBDOSGSTXNGB-OAHLLOKOSA-N 0 0 441.479 2.893 50 0 IFAARN CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(F)cc1 ZINC000009380894 569527979 /nfs/dbraw/zinc/52/79/79/569527979.db2.gz QKVVOKBCHUMAPF-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN CCOC(=O)CCC(=O)Nc1scc2c1c(=O)n(-c1ccccc1)nc2C(=O)OCC ZINC000009381295 569528110 /nfs/dbraw/zinc/52/81/10/569528110.db2.gz AZOLVIYBRNKJGU-UHFFFAOYSA-N 0 0 443.481 2.906 50 0 IFAARN O=c1cc(Cc2nnc(SCc3cccc(F)c3)n2-c2ccc(F)cc2)[nH]c(=O)[nH]1 ZINC000009382051 569528180 /nfs/dbraw/zinc/52/81/80/569528180.db2.gz JHYNFUGPMHLAKO-UHFFFAOYSA-N 0 0 427.436 2.805 50 0 IFAARN COc1cccc2sc(N(CCN(C)C)C(=O)c3ccccc3S(C)(=O)=O)nc21 ZINC000009385951 569528429 /nfs/dbraw/zinc/52/84/29/569528429.db2.gz UHBREFJMNSPSMN-UHFFFAOYSA-N 0 0 433.555 2.917 50 0 IFAARN CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 ZINC000009396851 569529221 /nfs/dbraw/zinc/52/92/21/569529221.db2.gz JZFXWAPSZLBQBC-HNNXBMFYSA-N 0 0 429.542 2.806 50 0 IFAARN CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000009396921 569529222 /nfs/dbraw/zinc/52/92/22/569529222.db2.gz IYBDVMKGFDKOSE-OAHLLOKOSA-N 0 0 445.541 2.642 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C)c(F)c3)cc2C[C@@H]1C ZINC000009396914 569529248 /nfs/dbraw/zinc/52/92/48/569529248.db2.gz HVPURYPUBIMKOT-AWEZNQCLSA-N 0 0 433.505 2.691 50 0 IFAARN COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2nc(S(C)(=O)=O)n3ccccc23)c1 ZINC000070040688 569529443 /nfs/dbraw/zinc/52/94/43/569529443.db2.gz VHNSWJIGDOKKCD-GOSISDBHSA-N 0 0 443.525 2.568 50 0 IFAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)N1CCCCCC1 ZINC000009408036 569530463 /nfs/dbraw/zinc/53/04/63/569530463.db2.gz XPVZERGFDRTSSB-UHFFFAOYSA-N 0 0 435.546 2.562 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000009408092 569530491 /nfs/dbraw/zinc/53/04/91/569530491.db2.gz FWOYOXSFVLIEKV-UHFFFAOYSA-N 0 0 443.525 2.889 50 0 IFAARN Cc1cccc(N(CC(=O)Nc2ccc(F)cc2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000009408202 569530511 /nfs/dbraw/zinc/53/05/11/569530511.db2.gz NXMWDCGLXBZRRH-MSOLQXFVSA-N 0 0 433.530 2.848 50 0 IFAARN Cc1ccc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c2ccccc2)cc1F ZINC000009408372 569530530 /nfs/dbraw/zinc/53/05/30/569530530.db2.gz XJDTWGXIOHLSRI-QZTJIDSGSA-N 0 0 433.530 2.848 50 0 IFAARN Cc1ccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c2ccccc2)cc1F ZINC000009408371 569530531 /nfs/dbraw/zinc/53/05/31/569530531.db2.gz XJDTWGXIOHLSRI-ROUUACIJSA-N 0 0 433.530 2.848 50 0 IFAARN Cc1cc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c2ccc(C(C)C)cc2)n[nH]1 ZINC000009408352 569530560 /nfs/dbraw/zinc/53/05/60/569530560.db2.gz ZVHZDRXJRRTUJN-IAGOWNOFSA-N 0 0 447.586 2.555 50 0 IFAARN CCOc1ccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c2ccccc2)cc1 ZINC000009408365 569530561 /nfs/dbraw/zinc/53/05/61/569530561.db2.gz PHHOOJFLQUKZCI-RBUKOAKNSA-N 0 0 445.566 2.799 50 0 IFAARN COc1ccccc1NC(=O)CN(C1=N[C@H]2CS(=O)(=O)C[C@@H]2S1)c1ccccc1F ZINC000009408457 569530574 /nfs/dbraw/zinc/53/05/74/569530574.db2.gz ITMQWQMUWLGHGK-YJBOKZPZSA-N 0 0 449.529 2.548 50 0 IFAARN COc1cccc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c2ccccc2F)c1 ZINC000009408450 569530582 /nfs/dbraw/zinc/53/05/82/569530582.db2.gz RMWNSAGUNXTKGP-SJLPKXTDSA-N 0 0 449.529 2.548 50 0 IFAARN COc1ccccc1NC(=O)CN(C1=N[C@H]2CS(=O)(=O)C[C@H]2S1)c1ccccc1F ZINC000009409320 569531034 /nfs/dbraw/zinc/53/10/34/569531034.db2.gz ITMQWQMUWLGHGK-MAUKXSAKSA-N 0 0 449.529 2.548 50 0 IFAARN COc1ccc(CNC(=O)Cc2c(C)c3ccc(OC(C)=O)cc3oc2=O)cc1OC ZINC000009410370 569531307 /nfs/dbraw/zinc/53/13/07/569531307.db2.gz SCBGHLKWZVTEJM-UHFFFAOYSA-N 0 0 425.437 2.903 50 0 IFAARN COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)NCCC(C)C)[C@@H]5C3=O)nc2c1 ZINC000009410651 569531407 /nfs/dbraw/zinc/53/14/07/569531407.db2.gz NPPRPFRBLXMZIG-OQYZPLRDSA-N 0 0 427.526 2.754 50 0 IFAARN COC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009411355 569531554 /nfs/dbraw/zinc/53/15/54/569531554.db2.gz HMQMQMXDCRKVAQ-SFSYZPTKSA-N 0 0 437.540 2.701 50 0 IFAARN Cc1csc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)n1 ZINC000009413198 569531706 /nfs/dbraw/zinc/53/17/06/569531706.db2.gz FGMKKVVIQCBZGY-UHFFFAOYSA-N 0 0 432.556 2.736 50 0 IFAARN COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)cc1OC ZINC000009413229 569531703 /nfs/dbraw/zinc/53/17/03/569531703.db2.gz QAIGOEGJGULXFM-PMERELPUSA-N 0 0 429.473 2.972 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccccc3F)C2)cc1 ZINC000009418758 569532411 /nfs/dbraw/zinc/53/24/11/569532411.db2.gz UBKJONNAQMRDKR-SFHVURJKSA-N 0 0 447.532 2.544 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccc(OC)cc3)C2=O)c1 ZINC000009420257 569532664 /nfs/dbraw/zinc/53/26/64/569532664.db2.gz AHHTZASPXDEEPT-IBGZPJMESA-N 0 0 439.468 2.711 50 0 IFAARN COc1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009424231 569533091 /nfs/dbraw/zinc/53/30/91/569533091.db2.gz IVUGGJWHEFNALI-QGZVFWFLSA-N 0 0 449.525 2.551 50 0 IFAARN Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)COc2ccc(Cl)cc2)c1 ZINC000009426081 569533270 /nfs/dbraw/zinc/53/32/70/569533270.db2.gz KGGZQRJEHDEBFO-LJQANCHMSA-N 0 0 429.904 2.691 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)c1nc(S(C)(=O)=O)ncc1Cl)CCC2 ZINC000009431673 569534235 /nfs/dbraw/zinc/53/42/35/569534235.db2.gz WAHFNABDSRYOBQ-UHFFFAOYSA-N 0 0 429.907 2.513 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)NCc3cccs3)C(C)C)cc2C[C@@H]1C ZINC000009429245 569533677 /nfs/dbraw/zinc/53/36/77/569533677.db2.gz VVHKPRMKHBDISU-VBKZILBWSA-N 0 0 449.598 2.665 50 0 IFAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)NCc3cccc(OC)c3)cc2NC1=O ZINC000009430146 569533901 /nfs/dbraw/zinc/53/39/01/569533901.db2.gz UCGNAVAVABNUOK-SFHVURJKSA-N 0 0 448.566 2.998 50 0 IFAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)NCc3ccccc3OC)cc2NC1=O ZINC000009430142 569533904 /nfs/dbraw/zinc/53/39/04/569533904.db2.gz NSDSKUJQVCOYCL-GOSISDBHSA-N 0 0 448.566 2.998 50 0 IFAARN COc1ccc(OC)c(NC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3C)c1 ZINC000009431269 569534101 /nfs/dbraw/zinc/53/41/01/569534101.db2.gz NQKSBOPWWCPBLT-UHFFFAOYSA-N 0 0 427.486 2.621 50 0 IFAARN CCn1c2nnc(CCCC(=O)NCc3cccc(OC)c3)n2c2ccsc2c1=O ZINC000009431391 569534214 /nfs/dbraw/zinc/53/42/14/569534214.db2.gz DTMOZTXFBGCPOG-UHFFFAOYSA-N 0 0 425.514 2.773 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)c1nc(S(C)(=O)=O)ncc1Cl)CCCC2 ZINC000009431660 569534223 /nfs/dbraw/zinc/53/42/23/569534223.db2.gz ZSWSTWFQKGXRGH-UHFFFAOYSA-N 0 0 443.934 2.903 50 0 IFAARN COCCn1cnc2c1c(=O)n(CC(=O)c1cc(C)ccc1C)c(=O)n2Cc1ccccc1 ZINC000009439398 569535055 /nfs/dbraw/zinc/53/50/55/569535055.db2.gz VJYJFRLKVOEALO-UHFFFAOYSA-N 0 0 446.507 2.554 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000009439718 569535116 /nfs/dbraw/zinc/53/51/16/569535116.db2.gz UFZPXKXADZOIQX-UHFFFAOYSA-N 0 0 444.553 2.575 50 0 IFAARN CC(C)CN(CC(C)C)C(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000009440333 569535171 /nfs/dbraw/zinc/53/51/71/569535171.db2.gz ICTMUTXBXSRPMS-UHFFFAOYSA-N 0 0 430.954 2.975 50 0 IFAARN CCN(CC)c1nc(O)c(CC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)s1 ZINC000009440528 569535249 /nfs/dbraw/zinc/53/52/49/569535249.db2.gz ROTWZHSEXNQBSN-QGZVFWFLSA-N 0 0 428.514 2.878 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2=C(C(=O)OC)SCC2)cc1 ZINC000009446369 569535879 /nfs/dbraw/zinc/53/58/79/569535879.db2.gz SBMOOOYIFUJPKN-UHFFFAOYSA-N 0 0 426.560 2.749 50 0 IFAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000009448732 569536094 /nfs/dbraw/zinc/53/60/94/569536094.db2.gz FJGYXELPVKAFQK-GOTSBHOMSA-N 0 0 427.504 2.987 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1 ZINC000009452136 569536478 /nfs/dbraw/zinc/53/64/78/569536478.db2.gz OCXWVYMCAVPLDJ-AQOAWAETSA-N 0 0 435.524 2.747 50 0 IFAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000009458014 569536761 /nfs/dbraw/zinc/53/67/61/569536761.db2.gz IHLHTVQPLXQAKC-UHFFFAOYSA-N 0 0 447.369 2.979 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000009462007 569537121 /nfs/dbraw/zinc/53/71/21/569537121.db2.gz XIFXIGMZKSBZCG-QGZVFWFLSA-N 0 0 433.574 2.899 50 0 IFAARN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000009464021 569537581 /nfs/dbraw/zinc/53/75/81/569537581.db2.gz IMMQVXDEHMHZCF-VXKWHMMOSA-N 0 0 434.492 2.604 50 0 IFAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009464672 569537755 /nfs/dbraw/zinc/53/77/55/569537755.db2.gz AFZBTISHRGWZCR-CQSZACIVSA-N 0 0 449.554 2.757 50 0 IFAARN CCOC(=O)c1cnc(SCC(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)nc1N ZINC000009464864 569537758 /nfs/dbraw/zinc/53/77/58/569537758.db2.gz TUQUQFBGSXTCSP-UHFFFAOYSA-N 0 0 443.481 2.794 50 0 IFAARN CCOC(=O)c1cnc(SCC(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)nc1N ZINC000009464850 569537789 /nfs/dbraw/zinc/53/77/89/569537789.db2.gz REELIKZPBRCIHX-UHFFFAOYSA-N 0 0 449.876 2.774 50 0 IFAARN CCCCn1c2nc(COC(=O)CCc3ccc(OC)cc3)n(CCC)c2c(=O)[nH]c1=O ZINC000009465162 569537828 /nfs/dbraw/zinc/53/78/28/569537828.db2.gz JKHINPGJCAOHAM-UHFFFAOYSA-N 0 0 442.516 2.781 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-n3cncn3)cc2)cc1 ZINC000009465061 569537857 /nfs/dbraw/zinc/53/78/57/569537857.db2.gz GDEFMGPVJBGQLO-INIZCTEOSA-N 0 0 427.530 2.789 50 0 IFAARN C[C@H](c1nnc(SCC(=O)N2CCNC2=O)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009469447 569538820 /nfs/dbraw/zinc/53/88/20/569538820.db2.gz DCGKGNHQOVJJCX-CQSZACIVSA-N 0 0 432.525 2.597 50 0 IFAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1nnnn1C[C@H]1CCCO1 ZINC000009477969 569539284 /nfs/dbraw/zinc/53/92/84/569539284.db2.gz LSRKSQCVYPTLQY-QGZVFWFLSA-N 0 0 427.534 2.694 50 0 IFAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009487399 569539705 /nfs/dbraw/zinc/53/97/05/569539705.db2.gz UHZKSXBYKXPSPO-KRWDZBQOSA-N 0 0 432.498 2.951 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cccc(NS(=O)(=O)c3cc(F)ccc3C)c2)CC1 ZINC000009491009 569540291 /nfs/dbraw/zinc/54/02/91/569540291.db2.gz QYBYUWVWDZRZCV-UHFFFAOYSA-N 0 0 449.504 2.849 50 0 IFAARN CCN(C(=O)COc1ncnc2sc(-c3ccccc3)cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000009491385 569540311 /nfs/dbraw/zinc/54/03/11/569540311.db2.gz CWRSRIXXTABYDY-OAHLLOKOSA-N 0 0 431.539 2.773 50 0 IFAARN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000009491278 569540365 /nfs/dbraw/zinc/54/03/65/569540365.db2.gz AAJSFKZIPJPULW-UXHICEINSA-N 0 0 442.537 2.805 50 0 IFAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009495251 569541016 /nfs/dbraw/zinc/54/10/16/569541016.db2.gz UGBLBUIWPQHUAO-QGZVFWFLSA-N 0 0 425.416 2.777 50 0 IFAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3S[C@@H]3CCS(=O)(=O)C3)cc2NC1=O ZINC000009496974 569541270 /nfs/dbraw/zinc/54/12/70/569541270.db2.gz FVTIFIZABXLVIS-TZMCWYRMSA-N 0 0 432.523 2.938 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009498230 569541319 /nfs/dbraw/zinc/54/13/19/569541319.db2.gz NAQTWFLTZJXSGM-UHFFFAOYSA-N 0 0 447.601 2.726 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000009499234 569541447 /nfs/dbraw/zinc/54/14/47/569541447.db2.gz VLYWEHNYYXRTLJ-MRXNPFEDSA-N 0 0 436.512 2.807 50 0 IFAARN O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000009499243 569541471 /nfs/dbraw/zinc/54/14/71/569541471.db2.gz NJZBSCFNWDLKOH-UHFFFAOYSA-N 0 0 425.485 2.843 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1Cl ZINC000009502251 569541677 /nfs/dbraw/zinc/54/16/77/569541677.db2.gz HSXSLWKVRXVLPW-UHFFFAOYSA-N 0 0 449.916 2.980 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 ZINC000009501978 569541679 /nfs/dbraw/zinc/54/16/79/569541679.db2.gz RDCZNWRBCYUDMW-UHFFFAOYSA-N 0 0 441.553 2.659 50 0 IFAARN COc1ccc(NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)cc1S(=O)(=O)N1CCOCC1 ZINC000009502433 569541741 /nfs/dbraw/zinc/54/17/41/569541741.db2.gz NLQPETYCJIQZLU-LSDHHAIUSA-N 0 0 446.525 2.853 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc2ccccc2c1 ZINC000009506971 569541914 /nfs/dbraw/zinc/54/19/14/569541914.db2.gz QHDVYDRRUDHYKG-UHFFFAOYSA-N 0 0 442.493 2.894 50 0 IFAARN CCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2c1=O ZINC000009507559 569542060 /nfs/dbraw/zinc/54/20/60/569542060.db2.gz DVROLOYTJFHHAE-UHFFFAOYSA-N 0 0 440.525 2.843 50 0 IFAARN CCOc1ccccc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000009510150 569542708 /nfs/dbraw/zinc/54/27/08/569542708.db2.gz JWQUMIJRTKESOW-UHFFFAOYSA-N 0 0 434.514 2.911 50 0 IFAARN CC(=O)NCCc1ccc(C(=O)COC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)cc1 ZINC000009513513 569543112 /nfs/dbraw/zinc/54/31/12/569543112.db2.gz JNYXGSUGVQAPRD-UHFFFAOYSA-N 0 0 428.485 2.915 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NC[C@H]2CCCO2)s1 ZINC000009514718 569543291 /nfs/dbraw/zinc/54/32/91/569543291.db2.gz JAUPHXOFFPEHPI-CHWSQXEVSA-N 0 0 433.559 2.985 50 0 IFAARN O=C(Cc1csc(N2CCCC2=O)n1)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000009517217 569543556 /nfs/dbraw/zinc/54/35/56/569543556.db2.gz WMGZUSJJHZCPPU-UHFFFAOYSA-N 0 0 426.542 2.755 50 0 IFAARN CCOc1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2S(C)(=O)=O)cc1 ZINC000009517135 569543589 /nfs/dbraw/zinc/54/35/89/569543589.db2.gz GHUBQWAQQQWCAI-IBGZPJMESA-N 0 0 437.543 2.568 50 0 IFAARN COC(=O)c1ccc(CSc2nc(N)c(NC(=O)c3ccc(F)c(F)c3)c(=O)[nH]2)o1 ZINC000009518210 569543956 /nfs/dbraw/zinc/54/39/56/569543956.db2.gz QCSSHWFIAYQTKV-UHFFFAOYSA-N 0 0 436.396 2.555 50 0 IFAARN COc1ccc(C)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000009519402 569544241 /nfs/dbraw/zinc/54/42/41/569544241.db2.gz DTEKKMCCFLYBMA-UHFFFAOYSA-N 0 0 435.480 2.639 50 0 IFAARN CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)N(C)c2ccccc2)c2ccccc21 ZINC000009519612 569544326 /nfs/dbraw/zinc/54/43/26/569544326.db2.gz JUDQMJOXWSAYSK-UHFFFAOYSA-N 0 0 441.553 2.946 50 0 IFAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)N1CCCCC1 ZINC000009519783 569544339 /nfs/dbraw/zinc/54/43/39/569544339.db2.gz RLVGMAFMZLWHJO-UHFFFAOYSA-N 0 0 445.585 2.830 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2c(=O)c3c(nc2-n2nc(C)cc2C)CCCC3)c1 ZINC000009520693 569544346 /nfs/dbraw/zinc/54/43/46/569544346.db2.gz NRMSUJMQNOAZEG-UHFFFAOYSA-N 0 0 437.500 2.581 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc1 ZINC000009526760 569544516 /nfs/dbraw/zinc/54/45/16/569544516.db2.gz JHPOZFWHJUOUJO-UHFFFAOYSA-N 0 0 448.523 2.521 50 0 IFAARN C[C@H](Cc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1 ZINC000009528623 569544697 /nfs/dbraw/zinc/54/46/97/569544697.db2.gz MRJCRILDOOYURS-MRXNPFEDSA-N 0 0 429.542 2.919 50 0 IFAARN NC(=O)c1ccc(NC(=O)CSc2ncc(CO)n2Cc2ccc(Cl)cc2)cc1 ZINC000009529277 569544788 /nfs/dbraw/zinc/54/47/88/569544788.db2.gz BTSDMMNOJXMJMV-UHFFFAOYSA-N 0 0 430.917 2.907 50 0 IFAARN COc1ccc(Cn2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 ZINC000009533259 569545415 /nfs/dbraw/zinc/54/54/15/569545415.db2.gz UWDOFSMIBPFBAS-AWEZNQCLSA-N 0 0 438.513 2.586 50 0 IFAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnnn1Cc1cccs1 ZINC000009534556 569545473 /nfs/dbraw/zinc/54/54/73/569545473.db2.gz PWXPDJXHBARMMG-UHFFFAOYSA-N 0 0 431.543 2.695 50 0 IFAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)Cn1c(=O)oc2ccccc21 ZINC000009534795 569545495 /nfs/dbraw/zinc/54/54/95/569545495.db2.gz AVLRYCDUFRONQI-UHFFFAOYSA-N 0 0 435.436 2.864 50 0 IFAARN COc1cc(C(=O)N2CCC[C@@H]2c2cccs2)ccc1OCC(=O)N1CCOCC1 ZINC000009536910 569545613 /nfs/dbraw/zinc/54/56/13/569545613.db2.gz MFELGLPDXIFDHH-QGZVFWFLSA-N 0 0 430.526 2.972 50 0 IFAARN COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccccc4F)n3N)n[nH]2)cc1 ZINC000009542037 569545898 /nfs/dbraw/zinc/54/58/98/569545898.db2.gz XRDSXDXYMGYXQJ-UHFFFAOYSA-N 0 0 439.476 2.928 50 0 IFAARN O=C(c1ccc(-n2cccn2)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009547660 569546366 /nfs/dbraw/zinc/54/63/66/569546366.db2.gz FIYGZYRCYUEEEM-UHFFFAOYSA-N 0 0 428.489 2.548 50 0 IFAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000009549191 569546574 /nfs/dbraw/zinc/54/65/74/569546574.db2.gz PFKXDAGEFZAKKD-XMMPIXPASA-N 0 0 438.480 2.983 50 0 IFAARN COc1ccc(N2CCn3c(SCC(=O)NCc4ccc5c(c4)OCO5)nnc32)cc1 ZINC000009574043 569547942 /nfs/dbraw/zinc/54/79/42/569547942.db2.gz NIKNSUPTTXGPKH-UHFFFAOYSA-N 0 0 439.497 2.576 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000009578986 569548475 /nfs/dbraw/zinc/54/84/75/569548475.db2.gz DTBQAFMRVQZPHN-XMMPIXPASA-N 0 0 429.480 2.821 50 0 IFAARN CSC[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000009580215 569548755 /nfs/dbraw/zinc/54/87/55/569548755.db2.gz DSWVHOHJQDXEKL-XYJFISCASA-N 0 0 432.542 2.692 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1 ZINC000070637633 569548969 /nfs/dbraw/zinc/54/89/69/569548969.db2.gz GMADGSVWPWOESJ-UHFFFAOYSA-N 0 0 437.525 2.613 50 0 IFAARN C[C@@H]1CCCN(C(=O)COC(=O)c2cccnc2SCC(=O)N2CCC[C@H](C)C2)C1 ZINC000009583665 569549300 /nfs/dbraw/zinc/54/93/00/569549300.db2.gz CXKZLXSRDCMLMA-SJORKVTESA-N 0 0 433.574 2.848 50 0 IFAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3cccc(N4CCCC4=O)c3)C2=O)cc1 ZINC000009585183 569549474 /nfs/dbraw/zinc/54/94/74/569549474.db2.gz MUTMTSCYANWURG-RUZDIDTESA-N 0 0 449.507 2.948 50 0 IFAARN CC(C)c1ccccc1OCC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009588068 569549828 /nfs/dbraw/zinc/54/98/28/569549828.db2.gz SSEJSBOFLGWZII-UHFFFAOYSA-N 0 0 436.505 2.988 50 0 IFAARN CCCCn1c2nc(COC(=O)CCCOc3ccccc3)n(CC)c2c(=O)[nH]c1=O ZINC000009588978 569549887 /nfs/dbraw/zinc/54/98/87/569549887.db2.gz XGPQBEZUBHSDSP-UHFFFAOYSA-N 0 0 428.489 2.609 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000009589947 569549995 /nfs/dbraw/zinc/54/99/95/569549995.db2.gz RSLIONRSLMAXHV-RDTXWAMCSA-N 0 0 435.480 2.775 50 0 IFAARN C[C@H]1CN(C(=O)CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)C[C@H](C)O1 ZINC000009595034 569550707 /nfs/dbraw/zinc/55/07/07/569550707.db2.gz YQJLZKZZOXYWMM-RYUDHWBXSA-N 0 0 433.921 2.902 50 0 IFAARN CCOC(=O)N1CCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)CC1 ZINC000009598543 569551032 /nfs/dbraw/zinc/55/10/32/569551032.db2.gz AYQXNNKSDPYHLY-FCHUYYIVSA-N 0 0 433.508 2.824 50 0 IFAARN O=C(Cn1c(=O)c2sccc2n(Cc2cccc(Cl)c2)c1=O)NCc1ccco1 ZINC000009598847 569551125 /nfs/dbraw/zinc/55/11/25/569551125.db2.gz CHYMOXSXYMQOCZ-UHFFFAOYSA-N 0 0 429.885 2.836 50 0 IFAARN O=C(CSc1nnc(NC(=O)c2ccc(Br)o2)s1)NC[C@@H]1CCCO1 ZINC000009599964 569551364 /nfs/dbraw/zinc/55/13/64/569551364.db2.gz FRIHHCXVZMWIDZ-QMMMGPOBSA-N 0 0 447.336 2.533 50 0 IFAARN O=C(CSc1nnc(NC(=O)c2ccc(Br)o2)s1)NC[C@H]1CCCO1 ZINC000009599965 569551391 /nfs/dbraw/zinc/55/13/91/569551391.db2.gz FRIHHCXVZMWIDZ-MRVPVSSYSA-N 0 0 447.336 2.533 50 0 IFAARN Cn1c(N)c(C(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)c(=O)[nH]c1=O ZINC000009603452 569551745 /nfs/dbraw/zinc/55/17/45/569551745.db2.gz MUDHBFLTACOPRO-UHFFFAOYSA-N 0 0 445.551 2.811 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O ZINC000009608473 569552129 /nfs/dbraw/zinc/55/21/29/569552129.db2.gz IOFDZVILGJXFRB-RUZDIDTESA-N 0 0 449.507 2.664 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000009608504 569552162 /nfs/dbraw/zinc/55/21/62/569552162.db2.gz ATAILWRYOSXJJM-OWJWWREXSA-N 0 0 435.480 2.593 50 0 IFAARN COc1ccc(Cn2nnc(C(=O)NCc3ccc(C)cc3)c2N)cc1Br ZINC000009608665 569552181 /nfs/dbraw/zinc/55/21/81/569552181.db2.gz ZZBDHTZZQRYOHQ-UHFFFAOYSA-N 0 0 430.306 2.918 50 0 IFAARN CCC[C@H](NC(=O)CCc1c(C)nc2c(c1C)c(=O)n(C)c(=O)n2C)c1cccs1 ZINC000009610424 569552550 /nfs/dbraw/zinc/55/25/50/569552550.db2.gz WBQKAMVFULGGEO-INIZCTEOSA-N 0 0 428.558 2.901 50 0 IFAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009610956 569552676 /nfs/dbraw/zinc/55/26/76/569552676.db2.gz DXYOHIZCUUHBTI-UHFFFAOYSA-N 0 0 432.452 2.502 50 0 IFAARN CCCN(C(=O)COC(=O)c1cccnc1Nc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000009612915 569552951 /nfs/dbraw/zinc/55/29/51/569552951.db2.gz MHFDGRKXQKNAAG-OAHLLOKOSA-N 0 0 449.504 2.547 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCCc2ccccc21 ZINC000009613005 569552955 /nfs/dbraw/zinc/55/29/55/569552955.db2.gz MKSHVZQOMIQGIN-UGKGYDQZSA-N 0 0 444.553 2.955 50 0 IFAARN COc1c(Br)c2ccccc2cc1C(=O)NCCCNC(=O)c1cnccn1 ZINC000009615185 569553147 /nfs/dbraw/zinc/55/31/47/569553147.db2.gz HAVINPUZZMUMBK-UHFFFAOYSA-N 0 0 443.301 2.951 50 0 IFAARN CCCNC(=O)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000009619251 569553328 /nfs/dbraw/zinc/55/33/28/569553328.db2.gz PISYXHYUTGDHDW-AWEZNQCLSA-N 0 0 429.970 2.549 50 0 IFAARN COc1cc(C(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc(OC)c1OC ZINC000009626972 569553534 /nfs/dbraw/zinc/55/35/34/569553534.db2.gz ZEZAHXHPFVRQTI-UHFFFAOYSA-N 0 0 443.481 2.825 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000009632870 569554111 /nfs/dbraw/zinc/55/41/11/569554111.db2.gz QRFBCDKETQZWQF-UHFFFAOYSA-N 0 0 446.554 2.623 50 0 IFAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000009633913 569554355 /nfs/dbraw/zinc/55/43/55/569554355.db2.gz PHHUDBLZUGUZHT-RUZDIDTESA-N 0 0 435.524 2.944 50 0 IFAARN CC(C)c1ccc(-c2nnn(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)n2)cc1 ZINC000009634751 569554509 /nfs/dbraw/zinc/55/45/09/569554509.db2.gz CQQPJWYADQOOJW-UHFFFAOYSA-N 0 0 432.406 2.636 50 0 IFAARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009634898 569554535 /nfs/dbraw/zinc/55/45/35/569554535.db2.gz GSBKBZJQKHRXDS-ZDUSSCGKSA-N 0 0 439.921 2.865 50 0 IFAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)[C@@H]1COc2ccccc2O1 ZINC000009639198 569555164 /nfs/dbraw/zinc/55/51/64/569555164.db2.gz TWWFDBKIZNJPJN-AWEZNQCLSA-N 0 0 435.454 2.567 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccc(OC)c(OC)c2)c1 ZINC000009639660 569555203 /nfs/dbraw/zinc/55/52/03/569555203.db2.gz FUZOILDAGGICNJ-UHFFFAOYSA-N 0 0 436.530 2.924 50 0 IFAARN CCCCn1c(N)c(N(CC)C(=O)Cc2csc(-c3ccccc3)n2)c(=O)[nH]c1=O ZINC000009643128 569555913 /nfs/dbraw/zinc/55/59/13/569555913.db2.gz RFLNMIWISZITGO-UHFFFAOYSA-N 0 0 427.530 2.638 50 0 IFAARN C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000009644521 569556007 /nfs/dbraw/zinc/55/60/07/569556007.db2.gz LXLNLBLKQDSJCM-LLVKDONJSA-N 0 0 449.458 2.917 50 0 IFAARN O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000070762570 569556516 /nfs/dbraw/zinc/55/65/16/569556516.db2.gz GRLMOZXOLMYEKM-IBGZPJMESA-N 0 0 442.459 2.651 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)c1cn(C)c2c1[nH]c(=O)n(Cc1ccccc1)c2=O ZINC000009659720 569556679 /nfs/dbraw/zinc/55/66/79/569556679.db2.gz MYNUGPORZQJDGO-UHFFFAOYSA-N 0 0 438.871 2.991 50 0 IFAARN C[C@@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009662333 569557091 /nfs/dbraw/zinc/55/70/91/569557091.db2.gz IJJZSXPWNMLTTJ-ZJRYTYELSA-N 0 0 442.512 2.661 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC(C)CC1 ZINC000009668197 569557891 /nfs/dbraw/zinc/55/78/91/569557891.db2.gz DIDJBQWMNNSBSV-HFPIOELMSA-N 0 0 434.602 2.951 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC(C)CC1 ZINC000009668196 569557938 /nfs/dbraw/zinc/55/79/38/569557938.db2.gz DIDJBQWMNNSBSV-DXBWTPJFSA-N 0 0 434.602 2.951 50 0 IFAARN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(OC)cc1 ZINC000009670835 569558397 /nfs/dbraw/zinc/55/83/97/569558397.db2.gz YVDOCHPZECMHHQ-FQEVSTJZSA-N 0 0 436.505 2.736 50 0 IFAARN CCCCn1c(N)c(N(CCC)C(=O)Cc2c(F)c(F)c(F)c(F)c2F)c(=O)[nH]c1=O ZINC000009671216 569558482 /nfs/dbraw/zinc/55/84/82/569558482.db2.gz VBSSYGFSYFASGO-UHFFFAOYSA-N 0 0 448.392 2.600 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(COC(=O)c1ccccc1NC(=O)c1ccco1)[nH]c2=O ZINC000009671303 569558516 /nfs/dbraw/zinc/55/85/16/569558516.db2.gz KAPBAJRWXNYFGU-UHFFFAOYSA-N 0 0 447.403 2.912 50 0 IFAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)N3CCCC3)cc2)cc1 ZINC000009671505 569558555 /nfs/dbraw/zinc/55/85/55/569558555.db2.gz FCWFEOFVTZZUSU-UHFFFAOYSA-N 0 0 445.541 2.628 50 0 IFAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc2c(cc1Br)OCCO2 ZINC000009672644 569558853 /nfs/dbraw/zinc/55/88/53/569558853.db2.gz DFVPEXNQWFGWLX-NSHDSACASA-N 0 0 439.331 2.819 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1OC ZINC000009676721 569559511 /nfs/dbraw/zinc/55/95/11/569559511.db2.gz WWUNEWQXXIQPRV-UHFFFAOYSA-N 0 0 444.553 2.914 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(C(C)=O)c3)ccc21 ZINC000009677291 569559549 /nfs/dbraw/zinc/55/95/49/569559549.db2.gz KBPUHRLAZPEEBY-UHFFFAOYSA-N 0 0 428.510 2.991 50 0 IFAARN COc1ccc(NC(=O)c2nnn(CC(=O)Nc3c(C)cc(C)cc3C)c2N)c(OC)c1 ZINC000009677995 569559573 /nfs/dbraw/zinc/55/95/73/569559573.db2.gz HGPCCUJFYQBPCZ-UHFFFAOYSA-N 0 0 438.488 2.694 50 0 IFAARN O=C(c1ccc2nc3sc4c(c3c(=O)n2c1)CCCC4)N1CCC2(CC1)OCCO2 ZINC000009677853 569559601 /nfs/dbraw/zinc/55/96/01/569559601.db2.gz IWHGLBFDYSFQSI-UHFFFAOYSA-N 0 0 425.510 2.767 50 0 IFAARN CCc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NCCCOC)c(O)c3c2)cc1 ZINC000009680084 569560029 /nfs/dbraw/zinc/56/00/29/569560029.db2.gz HBRHCIMLRJMYSV-UHFFFAOYSA-N 0 0 443.525 2.658 50 0 IFAARN C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009683384 569560398 /nfs/dbraw/zinc/56/03/98/569560398.db2.gz XTEUSPREPPZCCG-HNNXBMFYSA-N 0 0 446.617 2.777 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H]2C[C@@H](OC(C)=O)CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009684105 569560531 /nfs/dbraw/zinc/56/05/31/569560531.db2.gz FPLTUCHYWLSBFF-CTNGQTDRSA-N 0 0 446.525 2.727 50 0 IFAARN O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000009684746 569560578 /nfs/dbraw/zinc/56/05/78/569560578.db2.gz ZBXLXGBVHFPTPP-UHFFFAOYSA-N 0 0 438.444 2.855 50 0 IFAARN O=C(Nc1nccs1)[C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000009692360 569561053 /nfs/dbraw/zinc/56/10/53/569561053.db2.gz VCSWTVGNOIFHPT-CQSZACIVSA-N 0 0 431.524 2.806 50 0 IFAARN O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009701411 569561264 /nfs/dbraw/zinc/56/12/64/569561264.db2.gz XXDMZMDYHBWSAH-UHFFFAOYSA-N 0 0 442.453 2.502 50 0 IFAARN CCCCCCN1N=C(c2ccc(Cl)cc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000009707485 569561538 /nfs/dbraw/zinc/56/15/38/569561538.db2.gz PPTIDHRDAGECAE-UHFFFAOYSA-N 0 0 428.924 2.892 50 0 IFAARN Cc1ccccc1CN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2C)c(=O)n1C ZINC000009707506 569561526 /nfs/dbraw/zinc/56/15/26/569561526.db2.gz GSRBRLFVWACOTA-UHFFFAOYSA-N 0 0 442.523 2.958 50 0 IFAARN CC1=NN(CCc2ccccc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1 ZINC000009707514 569561556 /nfs/dbraw/zinc/56/15/56/569561556.db2.gz AZUNZYRSNVHJJV-UHFFFAOYSA-N 0 0 442.523 2.578 50 0 IFAARN Cc1cccc(CN2N=C(C)Cn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)c1 ZINC000009707507 569561577 /nfs/dbraw/zinc/56/15/77/569561577.db2.gz BKADKNAZPGLWIH-UHFFFAOYSA-N 0 0 442.523 2.958 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 ZINC000009708131 569561856 /nfs/dbraw/zinc/56/18/56/569561856.db2.gz DSOVBAUUUSPKTM-IBGZPJMESA-N 0 0 433.464 2.545 50 0 IFAARN COc1ccc(Cn2c(C)cn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1 ZINC000009712998 569562406 /nfs/dbraw/zinc/56/24/06/569562406.db2.gz OZYPKBFJEPNTAO-UHFFFAOYSA-N 0 0 443.507 2.871 50 0 IFAARN COCCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccc(C)cc2)n(C)c1=O ZINC000009713239 569562564 /nfs/dbraw/zinc/56/25/64/569562564.db2.gz NTHROCZVXNQKAI-UHFFFAOYSA-N 0 0 429.480 2.760 50 0 IFAARN CN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)S(=O)(=O)c1ccc(Cl)s1 ZINC000009713727 569562660 /nfs/dbraw/zinc/56/26/60/569562660.db2.gz VMEOXOUQAXBYGE-UHFFFAOYSA-N 0 0 427.935 2.553 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1 ZINC000009713875 569562695 /nfs/dbraw/zinc/56/26/95/569562695.db2.gz HAJGLDGLEAPNHV-UHFFFAOYSA-N 0 0 449.439 2.859 50 0 IFAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000009716482 569563186 /nfs/dbraw/zinc/56/31/86/569563186.db2.gz VOZBRWZMFIELAY-UHFFFAOYSA-N 0 0 446.511 2.619 50 0 IFAARN COCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000009720559 569563268 /nfs/dbraw/zinc/56/32/68/569563268.db2.gz DGHZZINZTBVSGI-UHFFFAOYSA-N 0 0 431.341 2.947 50 0 IFAARN O=C(c1cccnc1)N1CCC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000070921620 569563358 /nfs/dbraw/zinc/56/33/58/569563358.db2.gz IMOLREQCUKAUBZ-UHFFFAOYSA-N 0 0 427.448 2.931 50 0 IFAARN Cc1ccsc1CCNC(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000009721789 569563410 /nfs/dbraw/zinc/56/34/10/569563410.db2.gz VSTYHUZABYBMMY-UHFFFAOYSA-N 0 0 446.594 2.878 50 0 IFAARN Cc1ccc(N2CCC(CNS(=O)(=O)c3ccccc3Br)CC2)nn1 ZINC000070922870 569563422 /nfs/dbraw/zinc/56/34/22/569563422.db2.gz PIPYORPKDMZWDX-UHFFFAOYSA-N 0 0 425.352 2.742 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(C)cc1)cn2C ZINC000009724234 569563642 /nfs/dbraw/zinc/56/36/42/569563642.db2.gz GZBUSZBPHRDJJH-UHFFFAOYSA-N 0 0 441.553 2.807 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N[C@@H]1CCCC[C@H]1C)cn2C ZINC000009724266 569563655 /nfs/dbraw/zinc/56/36/55/569563655.db2.gz DVMISFLINYXOLW-DNVCBOLYSA-N 0 0 433.574 2.878 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCc3ccccc31)cn2C ZINC000009724142 569563658 /nfs/dbraw/zinc/56/36/58/569563658.db2.gz XLAFEXHMXUHCPP-UHFFFAOYSA-N 0 0 439.537 2.772 50 0 IFAARN Cc1ccc(N2CCC(CNC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)CC2)nn1 ZINC000070930026 569563679 /nfs/dbraw/zinc/56/36/79/569563679.db2.gz SWTALJWDEYXCLG-UHFFFAOYSA-N 0 0 430.574 2.542 50 0 IFAARN CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000009724578 569563729 /nfs/dbraw/zinc/56/37/29/569563729.db2.gz YKAHGHBLXKJBIU-SJLPKXTDSA-N 0 0 435.933 2.730 50 0 IFAARN Cc1occc1-c1nnc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1C ZINC000009725187 569563791 /nfs/dbraw/zinc/56/37/91/569563791.db2.gz AZKOZDQPRJONLH-UHFFFAOYSA-N 0 0 431.543 2.522 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)CC1 ZINC000009727688 569564037 /nfs/dbraw/zinc/56/40/37/569564037.db2.gz HRHRLIHUTWKEJT-UHFFFAOYSA-N 0 0 428.448 2.577 50 0 IFAARN O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc(-c2ccccc2)on1 ZINC000070933443 569564148 /nfs/dbraw/zinc/56/41/48/569564148.db2.gz YIAJECPTUBNOCH-UHFFFAOYSA-N 0 0 426.498 2.567 50 0 IFAARN CC(C)[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)OCCCO2 ZINC000009729119 569564234 /nfs/dbraw/zinc/56/42/34/569564234.db2.gz ZCXUPPLXZULZJN-OAQYLSRUSA-N 0 0 444.509 2.506 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(OC)cc2F)NC(=O)N[C@@H]1c1ccccc1 ZINC000009730195 569564390 /nfs/dbraw/zinc/56/43/90/569564390.db2.gz HZMINWVWKIVQSS-LJQANCHMSA-N 0 0 428.416 2.862 50 0 IFAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000009740151 569565123 /nfs/dbraw/zinc/56/51/23/569565123.db2.gz PMVSCKWXVSUUKI-IBGZPJMESA-N 0 0 446.912 2.881 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)Nc1ccccc1F ZINC000009741323 569565240 /nfs/dbraw/zinc/56/52/40/569565240.db2.gz AXCVXLRDVTWJBG-FQEVSTJZSA-N 0 0 431.489 2.527 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCc1cccs1 ZINC000009741965 569565326 /nfs/dbraw/zinc/56/53/26/569565326.db2.gz HBLCCWUEISWGBD-FQEVSTJZSA-N 0 0 447.582 2.517 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000009742930 569565403 /nfs/dbraw/zinc/56/54/03/569565403.db2.gz PGFAFIUASPOXDJ-LJQANCHMSA-N 0 0 429.542 2.683 50 0 IFAARN CCc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000009743404 569565505 /nfs/dbraw/zinc/56/55/05/569565505.db2.gz KYSPOQANMRAVTK-HXUWFJFHSA-N 0 0 443.569 2.937 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCS[C@@H]1c1ccccc1F ZINC000009744557 569565596 /nfs/dbraw/zinc/56/55/96/569565596.db2.gz KIPXKYXGPVTHDG-KNQAVFIVSA-N 0 0 425.485 2.793 50 0 IFAARN Cc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009744506 569565616 /nfs/dbraw/zinc/56/56/16/569565616.db2.gz YGAFFSWNMRAVSK-SFHVURJKSA-N 0 0 447.532 2.822 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2ccccc2C)cc1 ZINC000009745332 569565640 /nfs/dbraw/zinc/56/56/40/569565640.db2.gz MOJIFXDDTYKEOT-LJQANCHMSA-N 0 0 443.569 2.992 50 0 IFAARN COc1ccccc1S(=O)(=O)N[C@@H](CCSC)C(=O)Nc1nc2ccccc2[nH]1 ZINC000009749512 569565984 /nfs/dbraw/zinc/56/59/84/569565984.db2.gz DMEGTYQIVOLBLL-HNNXBMFYSA-N 0 0 434.543 2.610 50 0 IFAARN COc1ccccc1CNC(=O)c1nnn(Cc2cc(Br)ccc2OC)c1N ZINC000009749180 569566004 /nfs/dbraw/zinc/56/60/04/569566004.db2.gz XSXVQNHEZOVURZ-UHFFFAOYSA-N 0 0 446.305 2.618 50 0 IFAARN CCc1ccc([C@@H](C)NC(=O)COC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1 ZINC000009754722 569566132 /nfs/dbraw/zinc/56/61/32/569566132.db2.gz XHDRURPBQFPZEP-MRXNPFEDSA-N 0 0 432.542 2.970 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1cccc(F)c1 ZINC000009761868 569566340 /nfs/dbraw/zinc/56/63/40/569566340.db2.gz HCUQTEUPTGAYEJ-UHFFFAOYSA-N 0 0 425.416 2.874 50 0 IFAARN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(I)c2)C1=O ZINC000009762931 569566500 /nfs/dbraw/zinc/56/65/00/569566500.db2.gz IBKHANNYJJUIDU-WUXMJOGZSA-N 0 0 447.250 2.985 50 0 IFAARN O=C(Nc1ccc(-n2nnc(C(=O)NC3CCCC3)n2)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000071003121 569566557 /nfs/dbraw/zinc/56/65/57/569566557.db2.gz CIROTEVTGJBMIS-UHFFFAOYSA-N 0 0 443.467 2.637 50 0 IFAARN COCCNC(=O)c1nnn(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000071002651 569566571 /nfs/dbraw/zinc/56/65/71/569566571.db2.gz UXNGOTKGFOKUFJ-UHFFFAOYSA-N 0 0 449.393 2.701 50 0 IFAARN CCOc1ccccc1C(=O)Nc1ccc(-n2nnc(C(=O)NCC(F)(F)F)n2)cc1 ZINC000071004579 569566595 /nfs/dbraw/zinc/56/65/95/569566595.db2.gz PXKJUUGMGQYDOH-UHFFFAOYSA-N 0 0 434.378 2.605 50 0 IFAARN CCN(CC(=O)NCc1cccs1)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000009764608 569566753 /nfs/dbraw/zinc/56/67/53/569566753.db2.gz RKURHLPBKWQHAL-UHFFFAOYSA-N 0 0 428.963 2.730 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2nn(C)c(=O)c3ccccc32)c1C ZINC000009765227 569566778 /nfs/dbraw/zinc/56/67/78/569566778.db2.gz DSKRJHVSMVCCDJ-GOSISDBHSA-N 0 0 448.523 2.810 50 0 IFAARN COc1ccc(CN(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)C2CC2)cc1 ZINC000009777806 569567157 /nfs/dbraw/zinc/56/71/57/569567157.db2.gz SSCOJPOAVROAQU-QHCPKHFHSA-N 0 0 443.450 2.932 50 0 IFAARN COc1ccc(CN(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)C2CC2)cc1 ZINC000009777810 569567192 /nfs/dbraw/zinc/56/71/92/569567192.db2.gz SSCOJPOAVROAQU-HSZRJFAPSA-N 0 0 443.450 2.932 50 0 IFAARN COC(=O)[C@@H](CC(C)C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009781737 569567595 /nfs/dbraw/zinc/56/75/95/569567595.db2.gz GCFPWFDAYQWGFZ-HXUWFJFHSA-N 0 0 438.590 2.888 50 0 IFAARN CN(Cc1ccc2c(c1)OCO2)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009782203 569567662 /nfs/dbraw/zinc/56/76/62/569567662.db2.gz BPSFFQBAZIGMHP-UHFFFAOYSA-N 0 0 430.526 2.791 50 0 IFAARN O=C(Cn1nnn(-c2ccccc2)c1=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000009783567 569567856 /nfs/dbraw/zinc/56/78/56/569567856.db2.gz XVEWISBBUIPNBJ-MRXNPFEDSA-N 0 0 436.522 2.930 50 0 IFAARN O=C1N[C@@H](c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)Nc2ccccc21 ZINC000009783748 569567908 /nfs/dbraw/zinc/56/79/08/569567908.db2.gz KNPPMGMDFNQLDH-NRFANRHFSA-N 0 0 439.493 2.822 50 0 IFAARN O=C(CSc1nnnn1-c1cccc(F)c1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009788903 569567990 /nfs/dbraw/zinc/56/79/90/569567990.db2.gz VUEVXRUNNCJLJR-UHFFFAOYSA-N 0 0 430.856 2.766 50 0 IFAARN COc1ccccc1Nc1nc(N)nc(CSc2nnnn2Cc2cccs2)n1 ZINC000009789394 569568129 /nfs/dbraw/zinc/56/81/29/569568129.db2.gz ALJBORJJTHMYEQ-UHFFFAOYSA-N 0 0 427.519 2.595 50 0 IFAARN CCn1c(CCC(N)=O)nnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009796767 569568485 /nfs/dbraw/zinc/56/84/85/569568485.db2.gz XYKCEXNWPNDRRI-UHFFFAOYSA-N 0 0 445.545 2.878 50 0 IFAARN CCN(Cc1ccccc1)C(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CC ZINC000009797048 569568521 /nfs/dbraw/zinc/56/85/21/569568521.db2.gz LVGWSOBOTNHNOO-UHFFFAOYSA-N 0 0 432.571 2.844 50 0 IFAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000009798870 569568537 /nfs/dbraw/zinc/56/85/37/569568537.db2.gz DICHWOZJVKIJQY-UHFFFAOYSA-N 0 0 441.509 2.917 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2F)c(C)c1 ZINC000009806365 569568888 /nfs/dbraw/zinc/56/88/88/569568888.db2.gz JQYRDTHSGDFVGO-QGZVFWFLSA-N 0 0 447.532 2.659 50 0 IFAARN COc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc(Cl)c1OCC(N)=O ZINC000009809762 569569049 /nfs/dbraw/zinc/56/90/49/569569049.db2.gz LBQWRFBVEUTYPO-CQSZACIVSA-N 0 0 445.903 2.704 50 0 IFAARN Cc1c(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000009815120 569569232 /nfs/dbraw/zinc/56/92/32/569569232.db2.gz UMNZHPHCALGBCJ-QGZVFWFLSA-N 0 0 447.495 2.589 50 0 IFAARN CCOC(=O)N1CCN(C(=O)Cc2csc(NC(=O)/C=C/c3ccccc3)n2)CC1 ZINC000009818238 569569301 /nfs/dbraw/zinc/56/93/01/569569301.db2.gz BLBJXZFEVOKRCC-CMDGGOBGSA-N 0 0 428.514 2.638 50 0 IFAARN CC(C)Oc1ccc(C(=O)NCCn2ncc3c2ncn(Cc2ccccc2)c3=O)cc1 ZINC000009822220 569569483 /nfs/dbraw/zinc/56/94/83/569569483.db2.gz GAHQPQJRUZEANS-UHFFFAOYSA-N 0 0 431.496 2.859 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)c3c(nc2-n2nc(C)cc2C)CCCC3)cc1OC ZINC000009828804 569569899 /nfs/dbraw/zinc/56/98/99/569569899.db2.gz QVWKECOJAWNCAX-UHFFFAOYSA-N 0 0 437.500 2.581 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)Cn2c(=O)c3c(nc2-n2nc(C)cc2C)CCCC3)c1 ZINC000009828814 569569912 /nfs/dbraw/zinc/56/99/12/569569912.db2.gz CGKKGBQGOREFLI-UHFFFAOYSA-N 0 0 434.500 2.522 50 0 IFAARN O=C(Oc1coc(CSc2ncccn2)cc1=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009829329 569570008 /nfs/dbraw/zinc/57/00/08/569570008.db2.gz BFLSGGQDOHYACM-ZDUSSCGKSA-N 0 0 441.440 2.820 50 0 IFAARN CCOC(=O)c1ccc(-n2c(C)cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1 ZINC000009829429 569570060 /nfs/dbraw/zinc/57/00/60/569570060.db2.gz BJTOLAGVGMSKFY-UHFFFAOYSA-N 0 0 437.500 2.670 50 0 IFAARN COc1ccccc1-n1c(C)cn2c1nc1c2c(=O)n(CCc2ccccc2)c(=O)n1C ZINC000009829380 569570073 /nfs/dbraw/zinc/57/00/73/569570073.db2.gz OTNHBPNTWZMNMQ-UHFFFAOYSA-N 0 0 429.480 2.698 50 0 IFAARN Cc1cn2c3c(nc2n1CCc1ccccc1)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000009829446 569570087 /nfs/dbraw/zinc/57/00/87/569570087.db2.gz GBJYAKSQGJUJTB-UHFFFAOYSA-N 0 0 431.471 2.888 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(CC(=O)OCc2ccccc2)c(=O)n3C)n1C1CCCCC1 ZINC000009829442 569570089 /nfs/dbraw/zinc/57/00/89/569570089.db2.gz LTPVXFJFVSGSHH-UHFFFAOYSA-N 0 0 449.511 2.706 50 0 IFAARN CCCCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(OC)cc2OC)n(C)c1=O ZINC000009829484 569570127 /nfs/dbraw/zinc/57/01/27/569570127.db2.gz KDVWEOZMLRQURP-UHFFFAOYSA-N 0 0 439.516 2.963 50 0 IFAARN CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1cccs1)C(=O)[C@@H]1CCC(=O)N1 ZINC000009834931 569570616 /nfs/dbraw/zinc/57/06/16/569570616.db2.gz YMQYSCLTUDYIPI-FPOVZHCZSA-N 0 0 443.569 2.639 50 0 IFAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009836822 569570797 /nfs/dbraw/zinc/57/07/97/569570797.db2.gz WNRYRIZLRZXXMI-UHFFFAOYSA-N 0 0 438.553 2.988 50 0 IFAARN O=c1ccc(-c2ccc(Cl)cc2)nn1CCNS(=O)(=O)c1ccc(F)cc1F ZINC000009844704 569570931 /nfs/dbraw/zinc/57/09/31/569570931.db2.gz IDVWFGLIZDXHAY-UHFFFAOYSA-N 0 0 425.844 2.820 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)COCC(=O)Nc1cccc(Cl)c1Cl ZINC000009846846 569571082 /nfs/dbraw/zinc/57/10/82/569571082.db2.gz BZFCDVSFDZFQJG-INIZCTEOSA-N 0 0 439.295 2.849 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1F ZINC000009856442 569571586 /nfs/dbraw/zinc/57/15/86/569571586.db2.gz SMJJIXOWRKYYTE-UHFFFAOYSA-N 0 0 447.488 2.618 50 0 IFAARN CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c1 ZINC000009856423 569571596 /nfs/dbraw/zinc/57/15/96/569571596.db2.gz BYXAGEXUDYVZMQ-UHFFFAOYSA-N 0 0 443.525 2.733 50 0 IFAARN COc1ccccc1CNC(=O)c1ccc(C)c(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000009860639 569571860 /nfs/dbraw/zinc/57/18/60/569571860.db2.gz KLEIIDSNQBNRJF-IEBWSBKVSA-N 0 0 445.566 2.614 50 0 IFAARN COc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1S(=O)(=O)N1CCCC1 ZINC000009885413 569572923 /nfs/dbraw/zinc/57/29/23/569572923.db2.gz DIPPXSHFUKDPNZ-UHFFFAOYSA-N 0 0 443.525 2.859 50 0 IFAARN C[C@H](Sc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000009915983 569573392 /nfs/dbraw/zinc/57/33/92/569573392.db2.gz KKHUXXYNFNOXKU-AWEZNQCLSA-N 0 0 426.510 2.979 50 0 IFAARN COc1ccc(-n2c(S[C@H](C(=O)NC(N)=O)C(C)C)nnc2-c2ccncc2)cc1 ZINC000009925102 569573539 /nfs/dbraw/zinc/57/35/39/569573539.db2.gz WYYIBOJKSWASEU-INIZCTEOSA-N 0 0 426.502 2.650 50 0 IFAARN CCOc1ccccc1C(=O)NCC(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000009950967 569574453 /nfs/dbraw/zinc/57/44/53/569574453.db2.gz QIPPGXCQXKXLAW-UHFFFAOYSA-N 0 0 442.497 2.806 50 0 IFAARN C[C@@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009951563 569574504 /nfs/dbraw/zinc/57/45/04/569574504.db2.gz YJYWURYYWCRXTG-SNVBAGLBSA-N 0 0 437.934 2.892 50 0 IFAARN C[C@H](NC(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1cc2ccccc2o1 ZINC000009951826 569574524 /nfs/dbraw/zinc/57/45/24/569574524.db2.gz CQGFNRHQUNATHP-QWHCGFSZSA-N 0 0 435.527 2.763 50 0 IFAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000009952863 569574601 /nfs/dbraw/zinc/57/46/01/569574601.db2.gz SDNVAWXYXWMJBA-CYBMUJFWSA-N 0 0 426.589 2.584 50 0 IFAARN COc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccc(SC)cc3)NC2=O)cc1 ZINC000071326823 569574997 /nfs/dbraw/zinc/57/49/97/569574997.db2.gz MZTAGCOFNFLMNP-HXUWFJFHSA-N 0 0 439.493 2.933 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3OC)c2C)c1 ZINC000071327328 569575248 /nfs/dbraw/zinc/57/52/48/569575248.db2.gz QYDKVNVALGGIHU-UHFFFAOYSA-N 0 0 437.456 2.663 50 0 IFAARN O=c1cc(Cn2c3ccsc3c(=O)n(CCc3ccccc3)c2=O)nc2ccccn12 ZINC000071327799 569575381 /nfs/dbraw/zinc/57/53/81/569575381.db2.gz LDYDAGUUIOXTBD-UHFFFAOYSA-N 0 0 430.489 2.524 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1 ZINC000071328300 569575526 /nfs/dbraw/zinc/57/55/26/569575526.db2.gz ZPMCHDBSFKXSAF-UHFFFAOYSA-N 0 0 432.440 2.660 50 0 IFAARN CCc1ccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc1 ZINC000071328361 569575546 /nfs/dbraw/zinc/57/55/46/569575546.db2.gz KQDCJUCBPCFTDS-UHFFFAOYSA-N 0 0 447.451 2.993 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000009961334 569575565 /nfs/dbraw/zinc/57/55/65/569575565.db2.gz DIWIPYCLHWEQEO-HOTGVXAUSA-N 0 0 434.514 2.711 50 0 IFAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 ZINC000009986637 569576751 /nfs/dbraw/zinc/57/67/51/569576751.db2.gz CPMDJFUTIYUKDJ-XDHUDOTRSA-N 0 0 431.496 2.825 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)c1C ZINC000009986944 569576793 /nfs/dbraw/zinc/57/67/93/569576793.db2.gz NAUJPBXMXILREK-OAQYLSRUSA-N 0 0 449.410 2.669 50 0 IFAARN CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 ZINC000009994604 569576931 /nfs/dbraw/zinc/57/69/31/569576931.db2.gz LCNUQOWWSQGYLT-FQEVSTJZSA-N 0 0 442.512 2.956 50 0 IFAARN CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 ZINC000009994607 569576945 /nfs/dbraw/zinc/57/69/45/569576945.db2.gz LCNUQOWWSQGYLT-HXUWFJFHSA-N 0 0 442.512 2.956 50 0 IFAARN CCN(CC)C(=O)Cn1cnc2sc(C(=O)Nc3cccc(OC)c3)c(C)c2c1=O ZINC000010013109 569577067 /nfs/dbraw/zinc/57/70/67/569577067.db2.gz AETLYHBZEKZRHK-UHFFFAOYSA-N 0 0 428.514 2.896 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000010032392 569577328 /nfs/dbraw/zinc/57/73/28/569577328.db2.gz VJWCLNCIZKGPQW-FYSMJZIKSA-N 0 0 437.544 2.665 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000010031443 569577340 /nfs/dbraw/zinc/57/73/40/569577340.db2.gz PQJPPWIGGYXTQD-QGZVFWFLSA-N 0 0 430.921 2.806 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C(=O)C4CC4)CC3)cc2)cc1 ZINC000010092441 569577681 /nfs/dbraw/zinc/57/76/81/569577681.db2.gz WACMBFOPIUVOND-UHFFFAOYSA-N 0 0 441.553 2.515 50 0 IFAARN Cc1c(C)n(-c2ccccc2N)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n12 ZINC000010104088 569577904 /nfs/dbraw/zinc/57/79/04/569577904.db2.gz NTWCJEXXRKAXBM-UHFFFAOYSA-N 0 0 432.459 2.525 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000010169171 569578300 /nfs/dbraw/zinc/57/83/00/569578300.db2.gz HZBLYXZQSIFLRI-ZDUSSCGKSA-N 0 0 427.457 2.666 50 0 IFAARN COc1cccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)c1 ZINC000010186848 569578485 /nfs/dbraw/zinc/57/84/85/569578485.db2.gz XGTPWZKJKCHURZ-UHFFFAOYSA-N 0 0 448.526 2.846 50 0 IFAARN O=C(NCCCn1ccnc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 ZINC000010188260 569578848 /nfs/dbraw/zinc/57/88/48/569578848.db2.gz YPBLWLLGAQGJAC-UHFFFAOYSA-N 0 0 430.921 2.614 50 0 IFAARN O=C(NCCCn1ccnc1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 ZINC000010188259 569578871 /nfs/dbraw/zinc/57/88/71/569578871.db2.gz MNJWVJGKBXRTOG-UHFFFAOYSA-N 0 0 430.921 2.614 50 0 IFAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000010209865 569578958 /nfs/dbraw/zinc/57/89/58/569578958.db2.gz ZVODDDFZBICPCS-ZDUSSCGKSA-N 0 0 447.538 2.690 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)Cn2c(=O)cnc3ccccc32)c1C ZINC000010214492 569579129 /nfs/dbraw/zinc/57/91/29/569579129.db2.gz QDABUQFNUWALLS-LJQANCHMSA-N 0 0 448.523 2.660 50 0 IFAARN CCOCCCn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C ZINC000010271960 569580121 /nfs/dbraw/zinc/58/01/21/569580121.db2.gz PVWMUSRPBWEBSV-UHFFFAOYSA-N 0 0 443.935 2.895 50 0 IFAARN COc1ccc(-n2ccnc(SCC(=O)Nc3ccc(OC)c(OC)c3)c2=O)cc1 ZINC000010272570 569580211 /nfs/dbraw/zinc/58/02/11/569580211.db2.gz UGLBJDVSDOXZMD-UHFFFAOYSA-N 0 0 427.482 2.989 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc3c(c2)CCCC3)NC(=O)N[C@H]1c1ccccc1 ZINC000010273531 569580270 /nfs/dbraw/zinc/58/02/70/569580270.db2.gz GSOFXFMETUMHQS-NRFANRHFSA-N 0 0 440.521 2.820 50 0 IFAARN CC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)s1 ZINC000010275706 569580419 /nfs/dbraw/zinc/58/04/19/569580419.db2.gz LTQAUHYVPGXLFF-OAQYLSRUSA-N 0 0 425.466 2.780 50 0 IFAARN COc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C)ccc3OC)nn2)cc1 ZINC000010275799 569580435 /nfs/dbraw/zinc/58/04/35/569580435.db2.gz MCDZWLWPZMICER-UHFFFAOYSA-N 0 0 429.498 2.827 50 0 IFAARN COc1cc(C(C)=O)ccc1OCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000010292793 569580528 /nfs/dbraw/zinc/58/05/28/569580528.db2.gz BPKDLPVBTRIOHA-UHFFFAOYSA-N 0 0 426.469 2.860 50 0 IFAARN CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc5c(c4)OCO5)c3)c2)n1 ZINC000071768447 569580741 /nfs/dbraw/zinc/58/07/41/569580741.db2.gz GJLGKYIWRUPMHJ-UHFFFAOYSA-N 0 0 432.440 2.929 50 0 IFAARN CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(OC)cc4OC)c3)c2)n1 ZINC000071768520 569580765 /nfs/dbraw/zinc/58/07/65/569580765.db2.gz KWVZFVMEXYEHOD-UHFFFAOYSA-N 0 0 434.456 2.827 50 0 IFAARN CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccc(OC)c(OC)c3)c2)n1 ZINC000071768560 569580767 /nfs/dbraw/zinc/58/07/67/569580767.db2.gz NEJYLDGWUXIVIG-UHFFFAOYSA-N 0 0 434.456 2.827 50 0 IFAARN CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)sc2c1 ZINC000010337307 569581263 /nfs/dbraw/zinc/58/12/63/569581263.db2.gz AJXRIMFBBDFKEP-UHFFFAOYSA-N 0 0 433.530 2.730 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccccc1OC)CCC2 ZINC000010382217 569581756 /nfs/dbraw/zinc/58/17/56/569581756.db2.gz RQAFAPVJSVTDDQ-UHFFFAOYSA-N 0 0 445.526 2.739 50 0 IFAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)NCC(F)(F)F ZINC000010399724 569581900 /nfs/dbraw/zinc/58/19/00/569581900.db2.gz NRDDWRUFHKAIOB-LBPRGKRZSA-N 0 0 425.498 2.805 50 0 IFAARN O=C(Nc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1)C1CCC1 ZINC000071850214 569582397 /nfs/dbraw/zinc/58/23/97/569582397.db2.gz ARUSRADCFSLZQD-SFHVURJKSA-N 0 0 447.582 2.956 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1S(N)(=O)=O ZINC000071846787 569582400 /nfs/dbraw/zinc/58/24/00/569582400.db2.gz BYZYKTZTHRQBNR-ZIAGYGMSSA-N 0 0 425.304 2.847 50 0 IFAARN CC(C)[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 ZINC000010494414 569582568 /nfs/dbraw/zinc/58/25/68/569582568.db2.gz DNAPNGIUEVOICY-IBGZPJMESA-N 0 0 437.587 2.966 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cc4ccccc4oc3=O)sc2c1 ZINC000009111345 569582946 /nfs/dbraw/zinc/58/29/46/569582946.db2.gz YPQVODNQBWMAIH-UHFFFAOYSA-N 0 0 429.479 2.905 50 0 IFAARN COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)sc1CCc1ccccc1 ZINC000072403872 569583746 /nfs/dbraw/zinc/58/37/46/569583746.db2.gz OTPDCZCMNAWRLB-KRWDZBQOSA-N 0 0 435.505 3.528 50 0 IFAARN COC(=O)c1nc(NC(=O)c2cnc3scc(C)n3c2=O)sc1Cc1ccccc1 ZINC000072403566 569583802 /nfs/dbraw/zinc/58/38/02/569583802.db2.gz AHOHEFHETNQJFQ-UHFFFAOYSA-N 0 0 440.506 3.151 50 0 IFAARN COCCCNC(=O)CSc1nc2ccccc2c(Nc2ccc3c(c2)OCO3)n1 ZINC000575616906 569583853 /nfs/dbraw/zinc/58/38/53/569583853.db2.gz SNZPDYJTJBRSMS-UHFFFAOYSA-N 0 0 426.498 3.347 50 0 IFAARN CCOC(=O)c1csc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)n1 ZINC000079476938 569584340 /nfs/dbraw/zinc/58/43/40/569584340.db2.gz FPKOGMZWHUZAFG-UHFFFAOYSA-N 0 0 443.934 3.156 50 0 IFAARN O=C(NCCc1csc(-c2ccccc2)n1)c1c[nH]c(=O)n(Cc2cccs2)c1=O ZINC000077099310 569585178 /nfs/dbraw/zinc/58/51/78/569585178.db2.gz VLNMQLHFXNSWDA-UHFFFAOYSA-N 0 0 438.534 2.742 50 0 IFAARN O=C(Nc1nc(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)co1)c1cnccn1 ZINC000077099946 569585273 /nfs/dbraw/zinc/58/52/73/569585273.db2.gz MQEHJURCNPNAQC-UHFFFAOYSA-N 0 0 447.282 2.986 50 0 IFAARN COCCn1nnn(-c2ccc(NC(=O)Cc3ccc(SC(C)C)cc3)cc2)c1=O ZINC000077100140 569585304 /nfs/dbraw/zinc/58/53/04/569585304.db2.gz YBXGHJMJHNXVKH-UHFFFAOYSA-N 0 0 427.530 2.757 50 0 IFAARN COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2cc(N3CCC(C)CC3)ncn2)n1 ZINC000077100920 569585480 /nfs/dbraw/zinc/58/54/80/569585480.db2.gz GSPUXLDLPQVOFJ-UHFFFAOYSA-N 0 0 434.500 2.584 50 0 IFAARN Cc1noc(-c2ccc(N3CCC[C@H](C(=O)NCc4nc5ccccc5n4C)C3)nc2)n1 ZINC000077100763 569585514 /nfs/dbraw/zinc/58/55/14/569585514.db2.gz SBSAZARKFGNCKQ-KRWDZBQOSA-N 0 0 431.500 2.860 50 0 IFAARN C[C@](O)(CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 ZINC000077184377 569585861 /nfs/dbraw/zinc/58/58/61/569585861.db2.gz FXZMUBUBQZKXMO-VWLOTQADSA-N 0 0 432.476 2.722 50 0 IFAARN CNC(=O)c1cccc(-c2noc(C3CN(S(=O)(=O)/C=C/c4ccc(C)cc4)C3)n2)c1 ZINC000077191241 569585888 /nfs/dbraw/zinc/58/58/88/569585888.db2.gz QCYXDYUDMGLYSA-ZHACJKMWSA-N 0 0 438.509 2.805 50 0 IFAARN O=C(CN1CCc2nc(NC(=O)c3cnccn3)sc2C1)N1CCCc2ccccc21 ZINC000077196281 569586051 /nfs/dbraw/zinc/58/60/51/569586051.db2.gz NVCLXXWBVZZPII-UHFFFAOYSA-N 0 0 434.525 2.523 50 0 IFAARN COc1ccc(/C=C/C(=O)N2CCc3nc(NC(=O)[C@@H]4CCCO4)sc3C2)cc1OC ZINC000077192025 569586055 /nfs/dbraw/zinc/58/60/55/569586055.db2.gz GIKCSIFVXGAPLF-JKNJVXJCSA-N 0 0 443.525 2.876 50 0 IFAARN COc1ccccc1[C@H](O)Cn1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)nn1 ZINC000077197244 569586187 /nfs/dbraw/zinc/58/61/87/569586187.db2.gz GDAZTEBUXMDOAE-JOCHJYFZSA-N 0 0 435.528 2.600 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2nnn(-c3ccccc3OC)c2-c2ccccn2)CC1 ZINC000077199922 569586282 /nfs/dbraw/zinc/58/62/82/569586282.db2.gz XHPRWMDEORYHSO-UHFFFAOYSA-N 0 0 435.484 2.753 50 0 IFAARN CC[C@@H](C(=O)NCc1ccc(C)cc1)n1cc(-c2nc(-c3cnccn3)no2)ccc1=O ZINC000077199989 569586314 /nfs/dbraw/zinc/58/63/14/569586314.db2.gz KDXDBKBYEUFJQA-IBGZPJMESA-N 0 0 430.468 2.931 50 0 IFAARN O=C(Cn1cc(-c2nc(C3CC3)no2)ccc1=O)NCc1ccccc1Br ZINC000077200442 569586439 /nfs/dbraw/zinc/58/64/39/569586439.db2.gz BIBQTSNSJFZDIG-UHFFFAOYSA-N 0 0 429.274 2.855 50 0 IFAARN Cc1nnsc1C(=O)N1CCC(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000077200907 569586542 /nfs/dbraw/zinc/58/65/42/569586542.db2.gz DTNZBENZNJQHHQ-UHFFFAOYSA-N 0 0 442.520 2.668 50 0 IFAARN CCN1CCN(c2ccc(C(=O)NCc3nnc(-c4ccc(OC)cc4)[nH]3)cc2F)CC1 ZINC000078440317 569586689 /nfs/dbraw/zinc/58/66/89/569586689.db2.gz NMWJXUOWRCIQAM-UHFFFAOYSA-N 0 0 438.507 2.691 50 0 IFAARN O=C(CN1CCN(Cc2ccccc2Cl)S1(=O)=O)NCc1ccccc1Cl ZINC000020132393 569587056 /nfs/dbraw/zinc/58/70/56/569587056.db2.gz QPTBRAJJDJXOCL-UHFFFAOYSA-N 0 0 428.341 2.672 50 0 IFAARN CC(C)(C)C(=O)Nc1nccnc1C(=O)NC1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000034716897 569587594 /nfs/dbraw/zinc/58/75/94/569587594.db2.gz ZFCZSINXBSLECH-UHFFFAOYSA-N 0 0 445.470 2.774 50 0 IFAARN CCN1C2=C(C(=O)N([C@@H](C)C(=O)NC3CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966421 569587752 /nfs/dbraw/zinc/58/77/52/569587752.db2.gz ZRYLEJANKSTDDH-GTNSWQLSSA-N 0 0 436.434 2.555 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 ZINC000000652513 193872741 /nfs/dbraw/zinc/87/27/41/193872741.db2.gz KQFMVGQTNDGWCL-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN COc1ccc(C(=O)OCC(=O)C(C)(C)C)cc1S(=O)(=O)N(C)CCc1cccnc1 ZINC000006143262 193882807 /nfs/dbraw/zinc/88/28/07/193882807.db2.gz KVMJSOHQLYZHNC-UHFFFAOYSA-N 0 0 448.541 2.725 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000006242381 193893568 /nfs/dbraw/zinc/89/35/68/193893568.db2.gz TXABUOHZURGFPX-FNGUVFISSA-N 0 0 449.532 2.590 50 0 IFAARN COCCCn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C ZINC000006300119 193897261 /nfs/dbraw/zinc/89/72/61/193897261.db2.gz ZTEXKMKUYCLDHZ-UHFFFAOYSA-N 0 0 429.908 2.504 50 0 IFAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCCC3)ccc21)N1CCCCCC1 ZINC000009830663 193897648 /nfs/dbraw/zinc/89/76/48/193897648.db2.gz NTXXMLORKKKIKA-UHFFFAOYSA-N 0 0 435.546 2.608 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCCCCC2)C1 ZINC000009830762 193897659 /nfs/dbraw/zinc/89/76/59/193897659.db2.gz IGNRJLOUTFIRBH-IAGOWNOFSA-N 0 0 449.573 2.664 50 0 IFAARN COc1cccc(Cn2c(=O)n(CCc3ccc(OC)c(OC)c3)c(=O)c3cccnc32)c1 ZINC000009830989 193898304 /nfs/dbraw/zinc/89/83/04/193898304.db2.gz STBYOVWWUVGLIJ-UHFFFAOYSA-N 0 0 447.491 2.875 50 0 IFAARN CS(=O)(=O)N1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC1 ZINC000000805036 132230748 /nfs/dbraw/zinc/23/07/48/132230748.db2.gz DNZOQUFJYLFBTO-UHFFFAOYSA-N 0 0 439.537 2.939 50 0 IFAARN Cc1cc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)ccc1Cl ZINC000000805037 132230756 /nfs/dbraw/zinc/23/07/56/132230756.db2.gz PZXORSGSXCLCMW-UHFFFAOYSA-N 0 0 437.949 2.748 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)c2cn(C)c3cc(N4CCOCC4)c(F)cc3c2=O)c1 ZINC000009435438 132231510 /nfs/dbraw/zinc/23/15/10/132231510.db2.gz XQFKJMFMMRIYET-UHFFFAOYSA-N 0 0 430.501 2.964 50 0 IFAARN Cc1ccc(-n2c(N)cc(=O)nc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000009518796 132232564 /nfs/dbraw/zinc/23/25/64/132232564.db2.gz VNURONBSNHHYJL-UHFFFAOYSA-N 0 0 435.553 2.564 50 0 IFAARN COc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCC(C)C)c4=O)c(OC)c1 ZINC000009519293 132233260 /nfs/dbraw/zinc/23/32/60/132233260.db2.gz CKARQEZBZAONMU-HNNXBMFYSA-N 0 0 441.532 2.748 50 0 IFAARN Cc1cc(C)cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000009569814 132234889 /nfs/dbraw/zinc/23/48/89/132234889.db2.gz ZGRADEHEZDCSOE-UHFFFAOYSA-N 0 0 435.977 2.839 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccc2ccccc2c1 ZINC000009569891 132235054 /nfs/dbraw/zinc/23/50/54/132235054.db2.gz DETKPTPKOWVQRP-UHFFFAOYSA-N 0 0 441.528 2.861 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000009569955 132235197 /nfs/dbraw/zinc/23/51/97/132235197.db2.gz FAMFRPQKCLPHIQ-UHFFFAOYSA-N 0 0 449.592 2.610 50 0 IFAARN Cn1ncc(I)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000996098 132236772 /nfs/dbraw/zinc/23/67/72/132236772.db2.gz WASAYVZWDMVLMF-UHFFFAOYSA-N 0 0 430.677 2.641 50 0 IFAARN O=C(COc1coc(CN2CCc3ccccc32)cc1=O)N1CCN(c2ccccc2)CC1 ZINC000009716452 132241235 /nfs/dbraw/zinc/24/12/35/132241235.db2.gz HNPDQGZXIKOTEE-UHFFFAOYSA-N 0 0 445.519 2.930 50 0 IFAARN O=C(c1ccc(Cl)cc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000009849246 132241664 /nfs/dbraw/zinc/24/16/64/132241664.db2.gz JWUUETYFOULJAA-UHFFFAOYSA-N 0 0 437.866 2.965 50 0 IFAARN Cc1cccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)c1 ZINC000009849328 132241817 /nfs/dbraw/zinc/24/18/17/132241817.db2.gz FQRQODVSBZDGRL-UHFFFAOYSA-N 0 0 431.475 2.549 50 0 IFAARN O=S(=O)(c1ccc(I)cc1)N1CCN(c2ccccc2)CC1 ZINC000001437047 132245401 /nfs/dbraw/zinc/24/54/01/132245401.db2.gz OXZGTMBEYRZHHV-UHFFFAOYSA-N 0 0 428.295 2.802 50 0 IFAARN CC(=O)c1ccc(N2CN=c3sc(=Cc4cccc(Br)c4)c(=O)n3C2)cc1 ZINC000002343224 132252687 /nfs/dbraw/zinc/25/26/87/132252687.db2.gz COBRGBWDQBFGQI-ZDLGFXPLSA-N 0 0 442.338 2.759 50 0 IFAARN CC(=O)Nc1sc2c(c1C(=O)OCC(=O)N1CC(=O)Nc3ccccc31)CCCC2 ZINC000002644234 132255668 /nfs/dbraw/zinc/25/56/68/132255668.db2.gz UGTLFXNTYLLXMJ-UHFFFAOYSA-N 0 0 427.482 2.727 50 0 IFAARN O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)o1)N1CCN(c2ccccc2)CC1 ZINC000002720465 132256766 /nfs/dbraw/zinc/25/67/66/132256766.db2.gz VRAKGYYBMJXSHO-UHFFFAOYSA-N 0 0 438.509 2.949 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1 ZINC000002871361 132257831 /nfs/dbraw/zinc/25/78/31/132257831.db2.gz NOWFVFAMMOMOLZ-GOSISDBHSA-N 0 0 431.558 2.507 50 0 IFAARN Cc1cc(C)cc(N([C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c1 ZINC000002885293 132258155 /nfs/dbraw/zinc/25/81/55/132258155.db2.gz KCWUEQSOFXQRMR-GOSISDBHSA-N 0 0 433.549 2.946 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000002998790 132260187 /nfs/dbraw/zinc/26/01/87/132260187.db2.gz OYAVZDYMDHXZND-UHFFFAOYSA-N 0 0 445.560 2.884 50 0 IFAARN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N1CCN(c2ccc(F)cc2)CC1 ZINC000003015166 132260402 /nfs/dbraw/zinc/26/04/02/132260402.db2.gz ZTOONMRCDKXEBF-UHFFFAOYSA-N 0 0 426.517 2.825 50 0 IFAARN Cc1cc(N2C(=O)c3ccc(C(=O)N4CCN(c5ccccc5F)CC4)cc3C2=O)no1 ZINC000003014999 132260414 /nfs/dbraw/zinc/26/04/14/132260414.db2.gz CGZBLSOWFYRURV-UHFFFAOYSA-N 0 0 434.427 2.885 50 0 IFAARN C[C@@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)N1CCCc2ccccc21 ZINC000003310721 132263657 /nfs/dbraw/zinc/26/36/57/132263657.db2.gz UQIXBHQIEDKNCD-GFCCVEGCSA-N 0 0 435.274 2.683 50 0 IFAARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(N2CCOCC2)cc1 ZINC000003353360 132264465 /nfs/dbraw/zinc/26/44/65/132264465.db2.gz BCJJJDMLBSOGOR-UHFFFAOYSA-N 0 0 432.406 2.834 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000003612203 132266442 /nfs/dbraw/zinc/26/64/42/132266442.db2.gz XPTGAEQRSQVWFY-UHFFFAOYSA-N 0 0 443.569 2.832 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CCNC(=O)Cn3ccc4ccccc4c3=O)C[C@H]2C)c1 ZINC000004766929 132273756 /nfs/dbraw/zinc/27/37/56/132273756.db2.gz XMUVLKVCQIKIEL-HXUWFJFHSA-N 0 0 446.551 2.554 50 0 IFAARN CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000004998464 132274830 /nfs/dbraw/zinc/27/48/30/132274830.db2.gz QNGRWGKZZDXRSQ-UHFFFAOYSA-N 0 0 429.586 2.902 50 0 IFAARN COC(=O)c1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1N1CCOCC1 ZINC000006136336 132276190 /nfs/dbraw/zinc/27/61/90/132276190.db2.gz UEARJHUWONZRHE-UHFFFAOYSA-N 0 0 430.457 2.588 50 0 IFAARN O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000008587346 132282830 /nfs/dbraw/zinc/28/28/30/132282830.db2.gz HFSJYDYHMAKRCQ-UHFFFAOYSA-N 0 0 427.570 2.577 50 0 IFAARN O=C(CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)N1CCN(c2ccccc2)CC1 ZINC000008595904 132284830 /nfs/dbraw/zinc/28/48/30/132284830.db2.gz KZFMFOAISSXDJO-UHFFFAOYSA-N 0 0 447.470 2.930 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CC(=O)Nc3cccc(C)c3C)ccc21 ZINC000008601069 132286616 /nfs/dbraw/zinc/28/66/16/132286616.db2.gz GVCJCSKWWURLSM-UHFFFAOYSA-N 0 0 429.542 2.862 50 0 IFAARN Cc1cccc(N2CCN(C(=O)Cn3ncc4c5ccccc5n(C)c4c3=O)CC2)c1C ZINC000008610659 132288192 /nfs/dbraw/zinc/28/81/92/132288192.db2.gz VOVPSVIOHLILBC-UHFFFAOYSA-N 0 0 429.524 2.854 50 0 IFAARN Cc1ccc(CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@H]3C2=O)cc1 ZINC000008666616 132289763 /nfs/dbraw/zinc/28/97/63/132289763.db2.gz SYHWVWWMKAQUHU-NRFANRHFSA-N 0 0 441.553 2.532 50 0 IFAARN Cc1cc(C)cc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)c1 ZINC000008673295 132290141 /nfs/dbraw/zinc/29/01/41/132290141.db2.gz QWXWIZSDBLRJQU-UHFFFAOYSA-N 0 0 433.555 2.631 50 0 IFAARN O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)NC(=O)Nc1ccccc1F ZINC000008708383 132291149 /nfs/dbraw/zinc/29/11/49/132291149.db2.gz LXMIJOLGIODQOJ-HXUWFJFHSA-N 0 0 440.475 2.754 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1N1CCOCC1 ZINC000008861035 132296589 /nfs/dbraw/zinc/29/65/89/132296589.db2.gz JIKHWZCAZZRFNT-UHFFFAOYSA-N 0 0 443.569 2.879 50 0 IFAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O ZINC000008886460 132296888 /nfs/dbraw/zinc/29/68/88/132296888.db2.gz FTCDLFNXSQGZMZ-DEOSSOPVSA-N 0 0 428.448 2.592 50 0 IFAARN CC(=O)Nc1ccc2c(c1)C[C@]1(C(=O)NC(=O)N(C(C)(C)C)C1=O)[C@@H]1CCCCCN21 ZINC000008971343 132299245 /nfs/dbraw/zinc/29/92/45/132299245.db2.gz LYSINHHYCTYTIN-FDDCHVKYSA-N 0 0 426.517 2.813 50 0 IFAARN O=C(C1CCN(c2nc(Cl)nc3nc[nH]c32)CC1)N1CCN(c2ccccc2)CC1 ZINC000008991321 132299782 /nfs/dbraw/zinc/29/97/82/132299782.db2.gz HGCMLMCFIBBKLH-UHFFFAOYSA-N 0 0 425.924 2.572 50 0 IFAARN Cc1cc(OCC(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)ccc1Cl ZINC000009010364 132300672 /nfs/dbraw/zinc/30/06/72/132300672.db2.gz FGJTVRZHVUNQSZ-UHFFFAOYSA-N 0 0 437.949 2.748 50 0 IFAARN COc1ccccc1-c1nc(SCC(=O)N2CCN(c3ccccc3OC)CC2)n[nH]1 ZINC000009096343 132302791 /nfs/dbraw/zinc/30/27/91/132302791.db2.gz OFKURYZQRIJIPH-UHFFFAOYSA-N 0 0 439.541 2.930 50 0 IFAARN C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1nnc2ccccc2c1=O ZINC000009187839 132307692 /nfs/dbraw/zinc/30/76/92/132307692.db2.gz RXGHAXZUNMWUQI-AWEZNQCLSA-N 0 0 431.418 2.720 50 0 IFAARN Cc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)c4cccs4)s3)CC2)cc1 ZINC000009252330 132311144 /nfs/dbraw/zinc/31/11/44/132311144.db2.gz CHJFFFFNRJICCH-UHFFFAOYSA-N 0 0 449.583 2.671 50 0 IFAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N[C@H]3CCCc4ccccc43)cc21 ZINC000009274118 132312216 /nfs/dbraw/zinc/31/22/16/132312216.db2.gz XTOHVEWWFIZUHB-KRWDZBQOSA-N 0 0 446.550 2.654 50 0 IFAARN O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000009283748 132312331 /nfs/dbraw/zinc/31/23/31/132312331.db2.gz WWLSUNTUNWOGMG-UHFFFAOYSA-N 0 0 443.500 2.860 50 0 IFAARN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCc4ccccc43)=C2)cc1OC ZINC000009290123 132312761 /nfs/dbraw/zinc/31/27/61/132312761.db2.gz PHPXLUVRPDYOJC-UHFFFAOYSA-N 0 0 441.509 2.546 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(=O)N1CCCCC1 ZINC000009426086 132316642 /nfs/dbraw/zinc/31/66/42/132316642.db2.gz HNGGYNJEEXXTKI-UHFFFAOYSA-N 0 0 443.569 2.832 50 0 IFAARN CC(C)[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)n1nnc2ccccc2c1=O ZINC000009487683 132319250 /nfs/dbraw/zinc/31/92/50/132319250.db2.gz RBMYETIOIJHULE-FQEVSTJZSA-N 0 0 425.920 2.991 50 0 IFAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)N1CC(=O)Nc2ccccc21 ZINC000009507900 132319846 /nfs/dbraw/zinc/31/98/46/132319846.db2.gz PMDUMVKNXLSGCA-CQSZACIVSA-N 0 0 438.509 2.681 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)C(C)C)c2)cc1 ZINC000009510185 132319928 /nfs/dbraw/zinc/31/99/28/132319928.db2.gz OKDNMUJAJBODQK-UHFFFAOYSA-N 0 0 433.530 2.927 50 0 IFAARN C=Cc1ccc(CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 ZINC000009528075 132320364 /nfs/dbraw/zinc/32/03/64/132320364.db2.gz NATSTBNLOKMPJY-UHFFFAOYSA-N 0 0 430.551 2.989 50 0 IFAARN C[C@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009612659 132323564 /nfs/dbraw/zinc/32/35/64/132323564.db2.gz FXKXLYSZRXIDKM-HNNXBMFYSA-N 0 0 430.578 2.996 50 0 IFAARN CC(=O)N1C[C@@H](C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)Oc2ccccc21 ZINC000009642996 132324620 /nfs/dbraw/zinc/32/46/20/132324620.db2.gz AEPBHPXGKPSTKU-IBGZPJMESA-N 0 0 438.509 2.886 50 0 IFAARN CCOC(=O)N1CCN(C(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000009686255 132325825 /nfs/dbraw/zinc/32/58/25/132325825.db2.gz LNSDSBOPQQEEMI-UHFFFAOYSA-N 0 0 429.546 2.722 50 0 IFAARN O=C(COc1ccc(-n2cnnn2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009702608 132326527 /nfs/dbraw/zinc/32/65/27/132326527.db2.gz VMLFEBRNVPWLHG-UHFFFAOYSA-N 0 0 448.405 2.535 50 0 IFAARN CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)c2ccccc2O1 ZINC000009869922 132330608 /nfs/dbraw/zinc/33/06/08/132330608.db2.gz FYBKFWOJTSLKMF-VGSWGCGISA-N 0 0 429.476 2.733 50 0 IFAARN CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000009963608 132333087 /nfs/dbraw/zinc/33/30/87/132333087.db2.gz IGDUKTHSIVESII-UHFFFAOYSA-N 0 0 433.530 2.563 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)C1 ZINC000010557753 132336240 /nfs/dbraw/zinc/33/62/40/132336240.db2.gz LNOBMCNWXXXRAG-INIZCTEOSA-N 0 0 433.530 2.583 50 0 IFAARN O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000010718618 132336298 /nfs/dbraw/zinc/33/62/98/132336298.db2.gz NPEHRSNPFUZKTO-IBGZPJMESA-N 0 0 442.947 2.740 50 0 IFAARN CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)CCc3ccc(OC)cc3)ccc21 ZINC000011612434 132338088 /nfs/dbraw/zinc/33/80/88/132338088.db2.gz HLCQXLZEYUANFF-UHFFFAOYSA-N 0 0 438.571 2.782 50 0 IFAARN O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(c2ccccc2F)CC1 ZINC000011613617 132338306 /nfs/dbraw/zinc/33/83/06/132338306.db2.gz WEGDISVOMYRFOD-OAHLLOKOSA-N 0 0 428.533 2.647 50 0 IFAARN O=C(CSc1nc(CC(=O)N2CCN(c3ncccn3)CC2)cs1)c1cccs1 ZINC000011694994 132338645 /nfs/dbraw/zinc/33/86/45/132338645.db2.gz HEOPXIUMIGUXOR-UHFFFAOYSA-N 0 0 445.595 2.861 50 0 IFAARN Cc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)nn2)c1 ZINC000011696992 132338861 /nfs/dbraw/zinc/33/88/61/132338861.db2.gz SPZLCXNKUYCLID-UHFFFAOYSA-N 0 0 428.493 2.574 50 0 IFAARN Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nn2)n1 ZINC000011697297 132338982 /nfs/dbraw/zinc/33/89/82/132338982.db2.gz MCTJJESZQUFFPU-UHFFFAOYSA-N 0 0 428.493 2.574 50 0 IFAARN O=C(CCC1CCCC1)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000011796161 132340171 /nfs/dbraw/zinc/34/01/71/132340171.db2.gz BZRCURRUEUQWOD-UHFFFAOYSA-N 0 0 425.570 2.754 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cccc(Cl)c3)CC2)c1 ZINC000011796644 132340227 /nfs/dbraw/zinc/34/02/27/132340227.db2.gz GZBLQEGAYGGATK-UHFFFAOYSA-N 0 0 435.977 2.920 50 0 IFAARN Cc1nn(-c2ccc(N3CCN(C(=O)c4ccc(Br)o4)CC3)nn2)c(C)c1C ZINC000013009020 132342078 /nfs/dbraw/zinc/34/20/78/132342078.db2.gz PKQBGHCAQJPFFH-UHFFFAOYSA-N 0 0 445.321 2.905 50 0 IFAARN Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)nn2)c(C)c1C ZINC000013009363 132342312 /nfs/dbraw/zinc/34/23/12/132342312.db2.gz AAAYQPHVTXLUKR-UHFFFAOYSA-N 0 0 440.573 2.715 50 0 IFAARN Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nn2)c(C)c1C ZINC000013009378 132342318 /nfs/dbraw/zinc/34/23/18/132342318.db2.gz YNJSTHPKUSGGPI-UHFFFAOYSA-N 0 0 446.964 2.752 50 0 IFAARN Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)nn2)c(C)c1C ZINC000013009364 132342368 /nfs/dbraw/zinc/34/23/68/132342368.db2.gz PUJPWIFGPANFRD-UHFFFAOYSA-N 0 0 440.573 2.715 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1 ZINC000013009390 132342372 /nfs/dbraw/zinc/34/23/72/132342372.db2.gz JCENXLBUTAIKRO-UHFFFAOYSA-N 0 0 440.573 2.661 50 0 IFAARN CCOc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 ZINC000013036808 132342679 /nfs/dbraw/zinc/34/26/79/132342679.db2.gz ZGCPAXXUQBSNEU-UHFFFAOYSA-N 0 0 443.511 2.501 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000013036772 132342689 /nfs/dbraw/zinc/34/26/89/132342689.db2.gz RDCXBTGBPJZBHM-UHFFFAOYSA-N 0 0 449.902 2.592 50 0 IFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000013036860 132342834 /nfs/dbraw/zinc/34/28/34/132342834.db2.gz IUCSYGSSEOIFFW-UHFFFAOYSA-N 0 0 435.438 2.760 50 0 IFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000013036862 132342862 /nfs/dbraw/zinc/34/28/62/132342862.db2.gz HSVDELMOZPLWMG-UHFFFAOYSA-N 0 0 435.438 2.760 50 0 IFAARN C[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000013097736 132344351 /nfs/dbraw/zinc/34/43/51/132344351.db2.gz QDAVZOFNAISQOC-FQEVSTJZSA-N 0 0 433.434 2.647 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000013095726 132344387 /nfs/dbraw/zinc/34/43/87/132344387.db2.gz VZXQINTUAKJFJW-UHFFFAOYSA-N 0 0 445.564 2.768 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 ZINC000013141259 132345762 /nfs/dbraw/zinc/34/57/62/132345762.db2.gz CXGAGMTZWAHIDF-NRFANRHFSA-N 0 0 449.942 2.820 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ccccn2)CC1 ZINC000013164266 132346020 /nfs/dbraw/zinc/34/60/20/132346020.db2.gz UGIFGVCTBAKUNT-GOSISDBHSA-N 0 0 432.977 2.935 50 0 IFAARN Cn1c(=O)c2c3c(sc2nc1N1CCN(C(=O)c2ccccc2)CC1)COC(C)(C)C3 ZINC000013655306 132352486 /nfs/dbraw/zinc/35/24/86/132352486.db2.gz XIDWYPNYLZCTAS-UHFFFAOYSA-N 0 0 438.553 2.809 50 0 IFAARN O=C(COc1cccc2ccccc21)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 ZINC000013700994 132353812 /nfs/dbraw/zinc/35/38/12/132353812.db2.gz UPGMWXBWRLYUFW-UHFFFAOYSA-N 0 0 428.496 2.883 50 0 IFAARN Cc1csc2nc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c(=O)n12 ZINC000013795466 132354584 /nfs/dbraw/zinc/35/45/84/132354584.db2.gz WKHRSFUPVKXEPM-CQSZACIVSA-N 0 0 432.571 2.581 50 0 IFAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022805425 518217126 /nfs/dbraw/zinc/21/71/26/518217126.db2.gz RRIJNSRVHZMLMJ-NRFANRHFSA-N 0 0 436.581 2.730 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(N3CCCC3)n1C1CC1)OCO2 ZINC000021693821 518295544 /nfs/dbraw/zinc/29/55/44/518295544.db2.gz CLTNKKIKDDCKGS-UHFFFAOYSA-N 0 0 429.502 2.875 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000012575398 518400519 /nfs/dbraw/zinc/40/05/19/518400519.db2.gz WSKSRALUXNUUTL-OAQYLSRUSA-N 0 0 442.541 2.900 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2nc3c(N4CCCCC4)nc4ccccc4n3c2=O)c1 ZINC000035425465 518433393 /nfs/dbraw/zinc/43/33/93/518433393.db2.gz OACXHIJBWSQPFN-UHFFFAOYSA-N 0 0 444.495 2.876 50 0 IFAARN CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1 ZINC000012601156 518494539 /nfs/dbraw/zinc/49/45/39/518494539.db2.gz IQZXAWXBBNQCHA-LLVKDONJSA-N 0 0 435.483 2.651 50 0 IFAARN C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 ZINC000012691006 518669904 /nfs/dbraw/zinc/66/99/04/518669904.db2.gz PDTAWQBXYFTWBQ-UHFFFAOYSA-N 0 0 443.525 2.791 50 0 IFAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)N4CCC(C(N)=O)CC4)[nH]c(=O)c32)C1 ZINC000021882636 518944348 /nfs/dbraw/zinc/94/43/48/518944348.db2.gz QZJATGWZKQNJSF-CQSZACIVSA-N 0 0 444.601 2.792 50 0 IFAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000012592405 519044402 /nfs/dbraw/zinc/04/44/02/519044402.db2.gz SHGQZVIGUSUHHP-UHFFFAOYSA-N 0 0 440.569 2.727 50 0 IFAARN CC(C)(C)c1ccccc1OC[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000022021135 519062818 /nfs/dbraw/zinc/06/28/18/519062818.db2.gz VTEVNHUIKVBJJX-FYSMJZIKSA-N 0 0 440.496 2.920 50 0 IFAARN CC(C)C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000035736490 519293523 /nfs/dbraw/zinc/29/35/23/519293523.db2.gz ZCHUQDGMAGXSQB-ZJPYXAASSA-N 0 0 444.532 2.700 50 0 IFAARN CC(C)Cn1c(S[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1-c1ccco1 ZINC000012855948 519489529 /nfs/dbraw/zinc/48/95/29/519489529.db2.gz KTDUGYKLQBRVBQ-CYBMUJFWSA-N 0 0 449.558 2.961 50 0 IFAARN CC(C)Cn1c2nnc(-c3ccc(COc4ccccc4)cc3)n2c2c1c(=O)[nH]c(=O)n2C ZINC000023834266 519491370 /nfs/dbraw/zinc/49/13/70/519491370.db2.gz LUDNZRYZLUHSGI-UHFFFAOYSA-N 0 0 444.495 2.973 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CC(=O)Nc3cccc(Cl)c3)ccc21 ZINC000033077487 519562417 /nfs/dbraw/zinc/56/24/17/519562417.db2.gz CTQAEXCBVLTGLC-UHFFFAOYSA-N 0 0 435.933 2.898 50 0 IFAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc4c3CCCC4)c2)CC1 ZINC000012925186 519587521 /nfs/dbraw/zinc/58/75/21/519587521.db2.gz DMBZYWJNBNOELZ-UHFFFAOYSA-N 0 0 441.553 2.671 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)c1 ZINC000022503067 519631345 /nfs/dbraw/zinc/63/13/45/519631345.db2.gz YUSORZCILPBYDX-UHFFFAOYSA-N 0 0 439.541 2.755 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N3c4ccccc4C[C@H]3C)cc2C[C@H]1C ZINC000020529575 519639238 /nfs/dbraw/zinc/63/92/38/519639238.db2.gz GSZMUKLFFYBRDL-HZPDHXFCSA-N 0 0 441.553 2.630 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2C[C@H]1C ZINC000245338673 519639421 /nfs/dbraw/zinc/63/94/21/519639421.db2.gz NTCKEVVPLWFMCB-KSVNGYGVSA-N 0 0 435.590 2.593 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(C)ccc2OS(=O)(=O)c2ccccc2)S1 ZINC000020896320 519643644 /nfs/dbraw/zinc/64/36/44/519643644.db2.gz IEQQXNNZWAQLLM-SFHVURJKSA-N 0 0 433.511 2.764 50 0 IFAARN CC(C)CCNC(=O)[C@]1(C)CN(S(=O)(=O)c2ccccc2)CC(=O)N1C1CCCCC1 ZINC000021870389 519661358 /nfs/dbraw/zinc/66/13/58/519661358.db2.gz LNYXKUUTWUJPPW-QHCPKHFHSA-N 0 0 449.617 2.773 50 0 IFAARN CC(C)NC(=O)CN1c2cc(S(=O)(=O)N3CCCCC3)ccc2S[C@@H](C)CC1=O ZINC000021941134 519707235 /nfs/dbraw/zinc/70/72/35/519707235.db2.gz FDYRUZRVCJNCES-HNNXBMFYSA-N 0 0 439.603 2.603 50 0 IFAARN CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 ZINC000012165257 519711323 /nfs/dbraw/zinc/71/13/23/519711323.db2.gz IAPURFYWWVBNBM-HUUCEWRRSA-N 0 0 434.566 2.871 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2coc(-c3cccs3)n2)cc1 ZINC000022690239 519731322 /nfs/dbraw/zinc/73/13/22/519731322.db2.gz JQQBCGVVELYQBI-UHFFFAOYSA-N 0 0 449.510 2.773 50 0 IFAARN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000012797768 519731740 /nfs/dbraw/zinc/73/17/40/519731740.db2.gz ZLTCJATXZHCMRX-JOCHJYFZSA-N 0 0 429.586 2.968 50 0 IFAARN CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)CCOc2ccccc2)CC1=O ZINC000014532028 519731963 /nfs/dbraw/zinc/73/19/63/519731963.db2.gz RUXXAMCASWBKOA-JOCHJYFZSA-N 0 0 425.529 2.763 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)o2)cc1 ZINC000012917221 519733355 /nfs/dbraw/zinc/73/33/55/519733355.db2.gz COLNCSGNWGGYIR-CYBMUJFWSA-N 0 0 447.542 2.938 50 0 IFAARN CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012786630 519737132 /nfs/dbraw/zinc/73/71/32/519737132.db2.gz KTOPAPYDHNDMBI-OAHLLOKOSA-N 0 0 442.516 2.540 50 0 IFAARN CC(=O)Oc1ccc(Cl)cc1C1=NN(C(C)=O)[C@@H](CCn2nnc3ccccc32)O1 ZINC000021091967 519759029 /nfs/dbraw/zinc/75/90/29/519759029.db2.gz GKVGVCLEVTXQME-LJQANCHMSA-N 0 0 427.848 2.967 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000012109589 519798545 /nfs/dbraw/zinc/79/85/45/519798545.db2.gz PTUAIDHQCDUGRN-LJQANCHMSA-N 0 0 433.505 2.660 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)N1CCc2ccccc21 ZINC000021535716 519799356 /nfs/dbraw/zinc/79/93/56/519799356.db2.gz NUGWFCLZKDVPQQ-JOCHJYFZSA-N 0 0 441.553 2.854 50 0 IFAARN CC(C)[C@H](NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccc2c(c1)OCCCO2 ZINC000035388170 519818388 /nfs/dbraw/zinc/81/83/88/519818388.db2.gz TZBSHODOWADBFX-RDPSFJRHSA-N 0 0 437.540 2.573 50 0 IFAARN CC(C)[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000009666758 519818544 /nfs/dbraw/zinc/81/85/44/519818544.db2.gz REBHIRRCRVXRFA-NZQKXSOJSA-N 0 0 441.484 2.721 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012542434 519821232 /nfs/dbraw/zinc/82/12/32/519821232.db2.gz PQNHEIVHMGWQGK-FQEVSTJZSA-N 0 0 435.977 2.992 50 0 IFAARN CCCN1C=NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc21 ZINC000015867536 519841960 /nfs/dbraw/zinc/84/19/60/519841960.db2.gz BDERYOFWKZGOBP-UHFFFAOYSA-N 0 0 430.505 2.735 50 0 IFAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)Nc2ccccc2OC)C1=O ZINC000035534760 519849261 /nfs/dbraw/zinc/84/92/61/519849261.db2.gz HPTGOOSSWVMODQ-UHFFFAOYSA-N 0 0 430.482 2.636 50 0 IFAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O ZINC000035534731 519849373 /nfs/dbraw/zinc/84/93/73/519849373.db2.gz PXMFXPAUGBIDAV-UHFFFAOYSA-N 0 0 448.928 2.958 50 0 IFAARN CCCN1CCN(C(=O)c2cc3c(ccn(Cc4ccc(OC)cc4)c3=O)nc2C)CC1 ZINC000035426905 519856827 /nfs/dbraw/zinc/85/68/27/519856827.db2.gz HIESZDZIDJNEDT-UHFFFAOYSA-N 0 0 434.540 2.930 50 0 IFAARN CCCNC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)CC1 ZINC000035554060 519867001 /nfs/dbraw/zinc/86/70/01/519867001.db2.gz YVILIGDJCOYTKU-UHFFFAOYSA-N 0 0 438.575 2.911 50 0 IFAARN CCCNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000012887685 519891696 /nfs/dbraw/zinc/89/16/96/519891696.db2.gz CFPVYVPWJQGPJO-FSJXIACGSA-N 0 0 430.508 2.669 50 0 IFAARN CCCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000016053357 519893606 /nfs/dbraw/zinc/89/36/06/519893606.db2.gz HBKVBTSXBVHPQK-HNNXBMFYSA-N 0 0 434.514 2.592 50 0 IFAARN CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021712869 519896706 /nfs/dbraw/zinc/89/67/06/519896706.db2.gz SPBRMQINUCKWKZ-HXUWFJFHSA-N 0 0 429.542 2.927 50 0 IFAARN CC(C)n1c2ccc(S(=O)(=O)N3CCC(CC(=O)N4CCCCC4)CC3)cc2oc1=O ZINC000035460872 519925770 /nfs/dbraw/zinc/92/57/70/519925770.db2.gz DLCNKNRHSMTKQY-UHFFFAOYSA-N 0 0 449.573 2.979 50 0 IFAARN CCCOc1cc(N2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)CC2)nc(C)n1 ZINC000012224812 520311688 /nfs/dbraw/zinc/31/16/88/520311688.db2.gz XAJNQPFTSBUFLY-UHFFFAOYSA-N 0 0 434.562 2.710 50 0 IFAARN CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000012536380 520320839 /nfs/dbraw/zinc/32/08/39/520320839.db2.gz KBDYCKBCFRWPTC-UHFFFAOYSA-N 0 0 440.525 2.940 50 0 IFAARN CCN(CC(=O)NCc1cccs1)C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC000021352131 520342049 /nfs/dbraw/zinc/34/20/49/520342049.db2.gz YZZQXKJABIRDOV-INIZCTEOSA-N 0 0 429.542 2.583 50 0 IFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000015934643 520352344 /nfs/dbraw/zinc/35/23/44/520352344.db2.gz JPTKBPLPXVYBSR-CQSZACIVSA-N 0 0 431.439 2.814 50 0 IFAARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000012917373 520360252 /nfs/dbraw/zinc/36/02/52/520360252.db2.gz MXWGYXHFHBVGDG-UHFFFAOYSA-N 0 0 438.933 3.000 50 0 IFAARN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O ZINC000012783972 520365235 /nfs/dbraw/zinc/36/52/35/520365235.db2.gz QLBOJXSBIQIYJU-UHFFFAOYSA-N 0 0 438.459 2.789 50 0 IFAARN CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc21 ZINC000035512854 520421155 /nfs/dbraw/zinc/42/11/55/520421155.db2.gz JZJVBCGCIDERAH-UHFFFAOYSA-N 0 0 440.569 2.627 50 0 IFAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ncc(C)s2)c2ncnn2[C@@H]1c1ccccc1 ZINC000021350450 520477183 /nfs/dbraw/zinc/47/71/83/520477183.db2.gz YTKSNQVOPCCSMN-GOSISDBHSA-N 0 0 438.513 2.928 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1cccs1 ZINC000015659648 520487180 /nfs/dbraw/zinc/48/71/80/520487180.db2.gz NDOYKVUMWCNHDG-WPNIOXTASA-N 0 0 440.546 2.868 50 0 IFAARN CCOC(=O)C1C(CN(CCOC)Cc2ccco2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560342 520508574 /nfs/dbraw/zinc/50/85/74/520508574.db2.gz VFEPRRQOIPPSKP-NRFANRHFSA-N 0 0 427.501 2.908 50 0 IFAARN CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000035991391 520516217 /nfs/dbraw/zinc/51/62/17/520516217.db2.gz JNYULFZOUTVFLE-KRWDZBQOSA-N 0 0 428.316 2.839 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2cc(C)cc(C)c2)[C@](C)(C(=O)NC2CCCC2)C1 ZINC000021870125 520516392 /nfs/dbraw/zinc/51/63/92/520516392.db2.gz DURTWBFXHDYGDR-QFIPXVFZSA-N 0 0 435.590 2.509 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2cc(C)cc(C)c2)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870208 520516637 /nfs/dbraw/zinc/51/66/37/520516637.db2.gz MPIGVUQDQOSQNG-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@@H](C)Oc2ccccc2)NC(=O)N[C@@H]1c1cccs1 ZINC000012804768 520520529 /nfs/dbraw/zinc/52/05/29/520520529.db2.gz URJAHKXTDAFIAK-FZKQIMNGSA-N 0 0 430.482 2.930 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cnc(SC)n2-c2ccccc2)NC(=O)N[C@@H]1CC ZINC000012628747 520521919 /nfs/dbraw/zinc/52/19/19/520521919.db2.gz PLFCIBRMBROFDH-CQSZACIVSA-N 0 0 444.513 2.660 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(OCc3c(C)noc3C)cc2)NC(=O)N[C@H]1C ZINC000012696215 520522603 /nfs/dbraw/zinc/52/26/03/520522603.db2.gz JOJUISVGXPYKPG-ZDUSSCGKSA-N 0 0 443.456 2.546 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000012437525 520527258 /nfs/dbraw/zinc/52/72/58/520527258.db2.gz KQRMGCURIUWANF-IBGZPJMESA-N 0 0 432.473 2.779 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccccc1OC ZINC000020328439 520527309 /nfs/dbraw/zinc/52/73/09/520527309.db2.gz UKCUYXCOIDDIAR-FQEVSTJZSA-N 0 0 444.509 2.649 50 0 IFAARN CCCCN(CCOc1ccc(OC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012848087 520538800 /nfs/dbraw/zinc/53/88/00/520538800.db2.gz FUXDLYOJSOJVPU-UHFFFAOYSA-N 0 0 438.528 2.861 50 0 IFAARN CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000021511485 520551787 /nfs/dbraw/zinc/55/17/87/520551787.db2.gz KANSKQKLOWVJRG-UHFFFAOYSA-N 0 0 445.560 2.935 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccn1)C(=O)[C@H]1CCCCN21 ZINC000035445592 520557899 /nfs/dbraw/zinc/55/78/99/520557899.db2.gz YBNRRRLCSCUWPR-OAQYLSRUSA-N 0 0 449.555 2.586 50 0 IFAARN CC1(C)Cc2cccc(OCC(=O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)c2O1 ZINC000035349184 520582555 /nfs/dbraw/zinc/58/25/55/520582555.db2.gz IPNYQXIGGNRGBN-UHFFFAOYSA-N 0 0 441.503 2.701 50 0 IFAARN CCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 ZINC000012553151 520614740 /nfs/dbraw/zinc/61/47/40/520614740.db2.gz IIECIOCCTRPKRR-GOSISDBHSA-N 0 0 436.622 2.988 50 0 IFAARN CCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(F)cc1)N2 ZINC000020768077 520686494 /nfs/dbraw/zinc/68/64/94/520686494.db2.gz HNISPXUUJJHFHO-LJQANCHMSA-N 0 0 433.505 2.703 50 0 IFAARN CCCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1C)N2 ZINC000020767845 520688114 /nfs/dbraw/zinc/68/81/14/520688114.db2.gz BRIAQOUCMVCXFD-FQEVSTJZSA-N 0 0 429.542 2.873 50 0 IFAARN CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(Br)ccc1OCC ZINC000012137742 520716400 /nfs/dbraw/zinc/71/64/00/520716400.db2.gz UNYWDVVZLQTLJB-HNNXBMFYSA-N 0 0 441.322 2.522 50 0 IFAARN CCC[C@@H](NC(=O)Cn1c2cccnc2n(Cc2ccncc2)c(=O)c1=O)c1cccs1 ZINC000035450613 520736744 /nfs/dbraw/zinc/73/67/44/520736744.db2.gz WFLAVWWAVDDVJZ-QGZVFWFLSA-N 0 0 449.536 2.721 50 0 IFAARN CCOC(=O)CN(C)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O ZINC000012212268 520738918 /nfs/dbraw/zinc/73/89/18/520738918.db2.gz CNZSYAYDUGBRJP-SANMLTNESA-N 0 0 448.519 2.924 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000012632344 520750922 /nfs/dbraw/zinc/75/09/22/520750922.db2.gz SSMGJCKFACXSSM-OAHLLOKOSA-N 0 0 431.489 2.671 50 0 IFAARN CCN(CC)S(=O)(=O)N1CCN(Cn2ccn(-c3cc(C)ccc3C)c2=S)CC1 ZINC000012565013 520777378 /nfs/dbraw/zinc/77/73/78/520777378.db2.gz CLUWHDKWWBBIKW-UHFFFAOYSA-N 0 0 437.635 2.787 50 0 IFAARN CCOC(=O)CNC(=O)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035866901 520782501 /nfs/dbraw/zinc/78/25/01/520782501.db2.gz GAMLBZOFNSASEL-UHFFFAOYSA-N 0 0 443.573 2.842 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000032995875 520787531 /nfs/dbraw/zinc/78/75/31/520787531.db2.gz OEMHJUJIVGJJSK-BJRSVTDJSA-N 0 0 430.526 2.687 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000032995873 520787860 /nfs/dbraw/zinc/78/78/60/520787860.db2.gz OEMHJUJIVGJJSK-GPZRYRNASA-N 0 0 430.526 2.687 50 0 IFAARN CCOc1cc2c(cc1CNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1)O[C@@H](C)C2 ZINC000012792836 520791554 /nfs/dbraw/zinc/79/15/54/520791554.db2.gz WXHYZPOYMHUOGD-AWEZNQCLSA-N 0 0 432.542 2.864 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 ZINC000022356119 520819914 /nfs/dbraw/zinc/81/99/14/520819914.db2.gz DZBYIURWNHNMTD-MRXNPFEDSA-N 0 0 444.557 2.893 50 0 IFAARN CCOc1ccc(-c2noc(N3CCC(C(=O)N4CCN(CC)CC4)CC3)n2)cc1OC ZINC000035375189 520829304 /nfs/dbraw/zinc/82/93/04/520829304.db2.gz LSQMMNFXELTCHY-UHFFFAOYSA-N 0 0 443.548 2.524 50 0 IFAARN CCOc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2C)nn1 ZINC000252457457 520840792 /nfs/dbraw/zinc/84/07/92/520840792.db2.gz KNWHDBLCINMCFZ-GARXJVFOSA-N 0 0 429.521 2.856 50 0 IFAARN CC1=C(c2ccc(C)cc2)S(=O)(=O)N(CC(=O)NCCc2ccccc2Cl)C1=O ZINC000021913156 520842632 /nfs/dbraw/zinc/84/26/32/520842632.db2.gz USSCLTUCPZAHSG-UHFFFAOYSA-N 0 0 432.929 2.910 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000040930125 520925908 /nfs/dbraw/zinc/92/59/08/520925908.db2.gz YLCBLZLDVIMRJK-UHFFFAOYSA-N 0 0 441.532 2.686 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(Cc2nc4ccccc4[nH]2)CC3)CC1 ZINC000012242510 520927995 /nfs/dbraw/zinc/92/79/95/520927995.db2.gz WCSPZNREZLYODX-SFHVURJKSA-N 0 0 439.560 2.902 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000012589220 520928453 /nfs/dbraw/zinc/92/84/53/520928453.db2.gz MJHGMBAFNYFELR-UHFFFAOYSA-N 0 0 443.544 2.817 50 0 IFAARN CCOC(=O)N1CCC(NS(=O)(=O)CCCOc2cccc3c2OC(C)(C)C3)CC1 ZINC000012440607 520931991 /nfs/dbraw/zinc/93/19/91/520931991.db2.gz BTUNCCDJMSQWEV-UHFFFAOYSA-N 0 0 440.562 2.709 50 0 IFAARN CCOc1ccc(CCNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1OCC ZINC000023805714 520948515 /nfs/dbraw/zinc/94/85/15/520948515.db2.gz QUPFCGDAMTZCGO-DEOSSOPVSA-N 0 0 439.512 2.610 50 0 IFAARN CCOC(=O)N1CCN([C@@H](c2ccccc2F)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697691 520958105 /nfs/dbraw/zinc/95/81/05/520958105.db2.gz BNWLBDLAPWHTRM-NRFANRHFSA-N 0 0 447.507 2.511 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc3sc4ccccc4n13)C2=O ZINC000021128287 520965170 /nfs/dbraw/zinc/96/51/70/520965170.db2.gz OQUVXHUGJCCQPS-UHFFFAOYSA-N 0 0 444.542 2.568 50 0 IFAARN CC1CCN(C(=O)CN2c3ccc(S(=O)(=O)N4CCCCC4)cc3C(C)(C)C2=O)CC1 ZINC000035398754 520978273 /nfs/dbraw/zinc/97/82/73/520978273.db2.gz HAVSZKBOZUNNGT-UHFFFAOYSA-N 0 0 447.601 2.744 50 0 IFAARN CC1CCN(C(=O)[C@@H](NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2)CC1 ZINC000048373945 520986256 /nfs/dbraw/zinc/98/62/56/520986256.db2.gz XXWUZJSOZHBCPS-QHCPKHFHSA-N 0 0 436.556 2.916 50 0 IFAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C3CCCCC3)C2)cc1 ZINC000020511562 520992408 /nfs/dbraw/zinc/99/24/08/520992408.db2.gz SJJIZRJJIIHKAY-LJQANCHMSA-N 0 0 437.606 2.923 50 0 IFAARN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012420581 521015375 /nfs/dbraw/zinc/01/53/75/521015375.db2.gz KBKHFLIOUZWFOY-UHFFFAOYSA-N 0 0 438.933 2.974 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)OCc3cc(=O)n4ccsc4n3)cc2)CC1 ZINC000012785456 521029384 /nfs/dbraw/zinc/02/93/84/521029384.db2.gz WSUBBGDMGXVJLM-UHFFFAOYSA-N 0 0 447.538 2.534 50 0 IFAARN CCOc1ccc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000015883478 521065583 /nfs/dbraw/zinc/06/55/83/521065583.db2.gz NHYLTLWLGAPUEQ-UHFFFAOYSA-N 0 0 442.541 2.885 50 0 IFAARN CCN(CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2)c1ccccc1 ZINC000020725723 521072344 /nfs/dbraw/zinc/07/23/44/521072344.db2.gz NTNXQDFVUTYXCM-QHCPKHFHSA-N 0 0 440.569 2.645 50 0 IFAARN CCOc1ccc(NC(=O)Cn2nc3c(N4CCCC4)nc4ccccc4n3c2=O)cc1 ZINC000035425516 521078320 /nfs/dbraw/zinc/07/83/20/521078320.db2.gz FKAJPWXDHSHWHS-UHFFFAOYSA-N 0 0 432.484 2.682 50 0 IFAARN CCN(CCO)C(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C1CC1 ZINC000012511847 521095905 /nfs/dbraw/zinc/09/59/05/521095905.db2.gz PQEAHKWVPIYMMI-UHFFFAOYSA-N 0 0 437.500 2.678 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(Br)c3)C2)C1 ZINC000034916568 521108854 /nfs/dbraw/zinc/10/88/54/521108854.db2.gz DJHGIXMLEHXMBG-CVEARBPZSA-N 0 0 437.334 2.599 50 0 IFAARN CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1 ZINC000020994236 521111426 /nfs/dbraw/zinc/11/14/26/521111426.db2.gz QNGWOCLAENKMGE-AWEZNQCLSA-N 0 0 445.497 2.559 50 0 IFAARN CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)cc1OC ZINC000022699444 521117415 /nfs/dbraw/zinc/11/74/15/521117415.db2.gz VKDPJKFOGBORPE-KRWDZBQOSA-N 0 0 434.514 2.804 50 0 IFAARN CCOc1ccc(NC(=O)c2cnc3cc(C)nn3c2C)cc1S(=O)(=O)N1CCCC1 ZINC000022690487 521118966 /nfs/dbraw/zinc/11/89/66/521118966.db2.gz CYZDUHBLJXFLRV-UHFFFAOYSA-N 0 0 443.529 2.782 50 0 IFAARN CCCC[C@H](C(=O)c1ccccc1)n1c(Br)nc2c1c(=O)n(C)c(=O)n2C ZINC000012419637 521125077 /nfs/dbraw/zinc/12/50/77/521125077.db2.gz HRBSDSMVOCULSW-CYBMUJFWSA-N 0 0 433.306 2.810 50 0 IFAARN CCOc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1OCC ZINC000012520938 521133286 /nfs/dbraw/zinc/13/32/86/521133286.db2.gz GEIYZRNCPROGBT-UHFFFAOYSA-N 0 0 440.543 2.726 50 0 IFAARN CCOc1ccc(OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000015605138 521154421 /nfs/dbraw/zinc/15/44/21/521154421.db2.gz GFBUXTFXRISGCZ-UHFFFAOYSA-N 0 0 447.509 2.863 50 0 IFAARN CCC(=O)N1C[C@@H](c2ccc(OC)cc2OC)[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000036059990 521165281 /nfs/dbraw/zinc/16/52/81/521165281.db2.gz OYRVZXYCTLOMBB-RBUKOAKNSA-N 0 0 440.496 2.701 50 0 IFAARN CCC(=O)NCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000024751695 521170655 /nfs/dbraw/zinc/17/06/55/521170655.db2.gz NXJJHFZXTQEMTL-QPEQYQDCSA-N 0 0 430.313 2.672 50 0 IFAARN CCOc1ccc(OCCOC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000018958042 521176769 /nfs/dbraw/zinc/17/67/69/521176769.db2.gz LMGILRNHHOSSLW-IBGZPJMESA-N 0 0 444.509 2.621 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCOc3ccccc3C)CC2)cc1 ZINC000012919296 521195102 /nfs/dbraw/zinc/19/51/02/521195102.db2.gz GIOQHCYEGXUABR-UHFFFAOYSA-N 0 0 432.542 2.696 50 0 IFAARN CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)NC4CCCCC4)CC3)c2c1 ZINC000022752917 521310178 /nfs/dbraw/zinc/31/01/78/521310178.db2.gz LYWPEGJTHVKGJZ-UHFFFAOYSA-N 0 0 427.545 2.758 50 0 biogenic,in-vitro IFAARN CCOc1ccc2oc(=O)cc(CN3CCN(C(=O)c4n[nH]c5c4CCCC5)CC3)c2c1 ZINC000020869454 521310390 /nfs/dbraw/zinc/31/03/90/521310390.db2.gz QPCQJQZMONCLMP-UHFFFAOYSA-N 0 0 436.512 2.752 50 0 IFAARN CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCC(C)CC4)CC3)c2c1 ZINC000022752831 521310693 /nfs/dbraw/zinc/31/06/93/521310693.db2.gz GCDMXMNGOCMWHZ-UHFFFAOYSA-N 0 0 427.545 2.568 50 0 biogenic,in-vitro IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4cccc(OC)c4)CC3)sc2n1 ZINC000021165681 521348840 /nfs/dbraw/zinc/34/88/40/521348840.db2.gz XVLJHEQXUIZFME-UHFFFAOYSA-N 0 0 427.530 2.967 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@@H](C(=O)NCCCOC(C)C)C2)c1C ZINC000035510202 521364654 /nfs/dbraw/zinc/36/46/54/521364654.db2.gz WWFVDNFCBLVWJI-LJQANCHMSA-N 0 0 449.592 2.911 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCCCOC(C)C)C2)c1C ZINC000035510200 521367011 /nfs/dbraw/zinc/36/70/11/521367011.db2.gz WWFVDNFCBLVWJI-IBGZPJMESA-N 0 0 449.592 2.911 50 0 IFAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(-c3ccccc3)cc2)c(=O)[nH]c1=O ZINC000012914613 521367758 /nfs/dbraw/zinc/36/77/58/521367758.db2.gz ZRLFCGXXRHWRHC-UHFFFAOYSA-N 0 0 436.512 2.879 50 0 IFAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn1cnc2nc(SCC)ncc2c1=O ZINC000021882949 521392439 /nfs/dbraw/zinc/39/24/39/521392439.db2.gz NXVXEOUZZNCNRI-UHFFFAOYSA-N 0 0 447.542 2.792 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(Cn3nc(C)c4ccccc4c3=O)CC2)cc1 ZINC000024528588 521408894 /nfs/dbraw/zinc/40/88/94/521408894.db2.gz DBPCJGYHIMAFID-UHFFFAOYSA-N 0 0 440.569 2.621 50 0 IFAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3cccs3)oc1C)c(=O)n2C ZINC000021723166 521430895 /nfs/dbraw/zinc/43/08/95/521430895.db2.gz UHSRBBFMTOOQFA-UHFFFAOYSA-N 0 0 440.481 2.654 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2C)cn1C ZINC000035376183 521445160 /nfs/dbraw/zinc/44/51/60/521445160.db2.gz QVRABTRBARSQNT-GOSISDBHSA-N 0 0 433.530 2.610 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(Cl)c2)cn1C ZINC000035376091 521447320 /nfs/dbraw/zinc/44/73/20/521447320.db2.gz VZFDOAVQZDEWNT-INIZCTEOSA-N 0 0 439.921 2.647 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2CC)cn1C ZINC000035376119 521447768 /nfs/dbraw/zinc/44/77/68/521447768.db2.gz GAOHXGZKOIJTFM-SFHVURJKSA-N 0 0 433.530 2.556 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2C)cn1C ZINC000035376184 521448376 /nfs/dbraw/zinc/44/83/76/521448376.db2.gz QVRABTRBARSQNT-SFHVURJKSA-N 0 0 433.530 2.610 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccccc1)C2=O ZINC000021878833 521451596 /nfs/dbraw/zinc/45/15/96/521451596.db2.gz YFUOHEQMWVAPRJ-DEOSSOPVSA-N 0 0 438.528 2.923 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(Cc1cccc(C)c1)C2=O ZINC000021781449 521452437 /nfs/dbraw/zinc/45/24/37/521452437.db2.gz IEXBOBDVOYFDOI-DEOSSOPVSA-N 0 0 440.544 2.945 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(CCc1cccs1)C2=O ZINC000021522831 521452940 /nfs/dbraw/zinc/45/29/40/521452940.db2.gz RFKSCXRVVZVVIZ-QFIPXVFZSA-N 0 0 446.573 2.741 50 0 IFAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000012919735 521455026 /nfs/dbraw/zinc/45/50/26/521455026.db2.gz WZRQOLUMQJDDQT-UHFFFAOYSA-N 0 0 426.904 2.972 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(c1ccc(F)cc1C)C2=O ZINC000021879097 521455619 /nfs/dbraw/zinc/45/56/19/521455619.db2.gz UPADLWUFEMHMBQ-HSZRJFAPSA-N 0 0 442.491 2.985 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(c1ccc(F)cc1)C2=O ZINC000021781329 521457297 /nfs/dbraw/zinc/45/72/97/521457297.db2.gz ATRZRNYCIPGREP-JOCHJYFZSA-N 0 0 430.480 2.780 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1)N(Cc1ccccc1)C2=O ZINC000021781526 521458346 /nfs/dbraw/zinc/45/83/46/521458346.db2.gz PUSMAZDDRIYKJU-RUZDIDTESA-N 0 0 446.507 2.791 50 0 IFAARN CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000009662680 521463034 /nfs/dbraw/zinc/46/30/34/521463034.db2.gz QITZTSXWCMGNPB-UHFFFAOYSA-N 0 0 440.905 2.785 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(C)=C(c3ccc(F)cc3)S2(=O)=O)cc1 ZINC000035534684 521494275 /nfs/dbraw/zinc/49/42/75/521494275.db2.gz YOPSMJDWCISQKL-UHFFFAOYSA-N 0 0 446.456 2.544 50 0 IFAARN CCOc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000035898036 521525890 /nfs/dbraw/zinc/52/58/90/521525890.db2.gz QARGCPVHQDUGHN-UHFFFAOYSA-N 0 0 437.949 2.684 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000001168173 521549020 /nfs/dbraw/zinc/54/90/20/521549020.db2.gz WZGVSJMLNZMCGG-UHFFFAOYSA-N 0 0 440.905 2.930 50 0 IFAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)C)CC2)cc1)C(=O)C(C)C ZINC000036005744 521552840 /nfs/dbraw/zinc/55/28/40/521552840.db2.gz ZVAJLGSIFBJNCA-UHFFFAOYSA-N 0 0 431.581 2.760 50 0 IFAARN CCOC(=O)c1cn(CC(=O)Nc2ccc(OC)c(OC)c2)c2nc(C)ccc2c1=O ZINC000020986411 521567110 /nfs/dbraw/zinc/56/71/10/521567110.db2.gz BVURRTOMVAUIRV-UHFFFAOYSA-N 0 0 425.441 2.538 50 0 IFAARN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000032936928 521568100 /nfs/dbraw/zinc/56/81/00/521568100.db2.gz SMYBTPFTDQNIPY-QGZVFWFLSA-N 0 0 433.461 2.824 50 0 IFAARN CCOC(=O)c1noc2nc(C)n([C@@H](CC)C(=O)Nc3ccc(C(C)=O)cc3)c(=O)c21 ZINC000033059565 521607110 /nfs/dbraw/zinc/60/71/10/521607110.db2.gz RALAMKUXHNEZEQ-HNNXBMFYSA-N 0 0 426.429 2.662 50 0 IFAARN CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C ZINC000012231488 521613587 /nfs/dbraw/zinc/61/35/87/521613587.db2.gz YOMCAPNOHWTMJJ-UHFFFAOYSA-N 0 0 444.898 2.950 50 0 IFAARN CCCn1c(=O)c2c3c(sc2nc1N1CCN(S(=O)(=O)CCC)CC1)CCCC3 ZINC000012321679 521616968 /nfs/dbraw/zinc/61/69/68/521616968.db2.gz RSKNYUFVWCYNAE-UHFFFAOYSA-N 0 0 438.619 2.609 50 0 IFAARN CCCn1c(=O)cc(C(=O)Nc2ccc(F)c(Cl)c2)c2c(=O)n(CCC)c(=O)n(C)c21 ZINC000035422375 521619147 /nfs/dbraw/zinc/61/91/47/521619147.db2.gz UTIPURSHWYGXLC-UHFFFAOYSA-N 0 0 448.882 2.727 50 0 IFAARN CCCn1c(N)c(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(=O)n(C)c1=O ZINC000013121140 521631000 /nfs/dbraw/zinc/63/10/00/521631000.db2.gz DXZCMNFOUYORTF-UHFFFAOYSA-N 0 0 425.514 2.678 50 0 IFAARN CCCn1c(COC(=O)c2ccc(CO)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000022036592 521631035 /nfs/dbraw/zinc/63/10/35/521631035.db2.gz VTCJXDAWDLFPJR-UHFFFAOYSA-N 0 0 431.514 2.546 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2ccccc2C)[C@](C)(C(=O)NC2CCCCCC2)C1 ZINC000020928348 521659717 /nfs/dbraw/zinc/65/97/17/521659717.db2.gz OREOIQSQCJRCRZ-QFIPXVFZSA-N 0 0 435.590 2.591 50 0 IFAARN CCN1CCN(C(=O)C2CCN(c3nnc(C)c4c(C)n(-c5ccccc5)nc43)CC2)CC1 ZINC000020564237 521662345 /nfs/dbraw/zinc/66/23/45/521662345.db2.gz CPXFGJCRGMAPNK-UHFFFAOYSA-N 0 0 447.587 2.813 50 0 IFAARN CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC)c(F)c3)cc21 ZINC000012180652 521665097 /nfs/dbraw/zinc/66/50/97/521665097.db2.gz YNMATZMVMGUVOQ-UHFFFAOYSA-N 0 0 428.507 2.737 50 0 IFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000032970930 521668378 /nfs/dbraw/zinc/66/83/78/521668378.db2.gz JDNMJGGAOGRPRJ-HTAPYJJXSA-N 0 0 438.553 2.826 50 0 IFAARN CCS(=O)(=O)c1ncc(CN2CCC(C(=O)N3CCCC3)CC2)n1Cc1ccccc1 ZINC000012433425 521694429 /nfs/dbraw/zinc/69/44/29/521694429.db2.gz IVENFRJDQHDIPZ-UHFFFAOYSA-N 0 0 444.601 2.559 50 0 IFAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc(C)c(Cl)c4)c(=O)c3s2)CC1 ZINC000021886454 521702020 /nfs/dbraw/zinc/70/20/20/521702020.db2.gz LWIBJBAOBWJSGF-UHFFFAOYSA-N 0 0 446.964 2.595 50 0 IFAARN CCc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000020529513 521748944 /nfs/dbraw/zinc/74/89/44/521748944.db2.gz WGPCCPKRQCVJMU-OAHLLOKOSA-N 0 0 429.542 2.854 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C ZINC000022772497 521750112 /nfs/dbraw/zinc/75/01/12/521750112.db2.gz MQWARUZKATWBIK-INIZCTEOSA-N 0 0 427.501 2.536 50 0 IFAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000012778338 521754583 /nfs/dbraw/zinc/75/45/83/521754583.db2.gz FVOHRPNGDXMPEP-UHFFFAOYSA-N 0 0 442.493 2.937 50 0 IFAARN CCc1cccc(NC(=O)Cn2c3c(C)nn(CC)c3c(=O)n(Cc3ccco3)c2=O)c1 ZINC000035374255 521756278 /nfs/dbraw/zinc/75/62/78/521756278.db2.gz TXGUXFNYLLXSQL-UHFFFAOYSA-N 0 0 435.484 2.530 50 0 IFAARN CCc1cccc(NC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCC2)N(CC)C3=O)c1 ZINC000021877489 521765362 /nfs/dbraw/zinc/76/53/62/521765362.db2.gz HPGDLWJXAFPTCF-DEOSSOPVSA-N 0 0 437.544 2.991 50 0 IFAARN CCc1cccc(NC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCC2)N(CC)C3=O)c1 ZINC000021877491 521766218 /nfs/dbraw/zinc/76/62/18/521766218.db2.gz HPGDLWJXAFPTCF-XMMPIXPASA-N 0 0 437.544 2.991 50 0 IFAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CCC2 ZINC000016916876 521779983 /nfs/dbraw/zinc/77/99/83/521779983.db2.gz WUPVMYGYDYUPBO-UHFFFAOYSA-N 0 0 433.555 2.633 50 0 IFAARN COC(=O)c1c2c(sc1S(=O)(=O)N1CCCCC1)CN(C(=O)C1=CCCC1)CC2 ZINC000012451087 521786549 /nfs/dbraw/zinc/78/65/49/521786549.db2.gz VHVNXIHUMYUFFH-UHFFFAOYSA-N 0 0 438.571 2.704 50 0 IFAARN CCSc1ncc2c(ncn(CC(=O)Nc3ccc(Br)cc3F)c2=O)n1 ZINC000021882909 521788307 /nfs/dbraw/zinc/78/83/07/521788307.db2.gz UFUUHGDGGFOZBD-UHFFFAOYSA-N 0 0 438.282 2.839 50 0 IFAARN CCc1ccccc1-n1c(N)c2c(C)nnc-2nc1S[C@H](CC)C(=O)N1CCOCC1 ZINC000020759840 521800825 /nfs/dbraw/zinc/80/08/25/521800825.db2.gz MGSWZLPSEARMEL-QGZVFWFLSA-N 0 0 440.573 2.828 50 0 IFAARN CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000012853930 521811445 /nfs/dbraw/zinc/81/14/45/521811445.db2.gz ZBQQODNDIGBZMF-UHFFFAOYSA-N 0 0 441.509 2.989 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(OC)c1)c(=O)n2-c1ccccc1 ZINC000020345177 521829167 /nfs/dbraw/zinc/82/91/67/521829167.db2.gz BCWVFYPZSFDVAA-UHFFFAOYSA-N 0 0 431.448 2.699 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(C(=O)OC)c1 ZINC000018219525 521885966 /nfs/dbraw/zinc/88/59/66/521885966.db2.gz NWIBQVMWTSOPOW-CQSZACIVSA-N 0 0 428.441 2.818 50 0 IFAARN CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)c(OC)cc1Cl)CC2 ZINC000020601451 521919103 /nfs/dbraw/zinc/91/91/03/521919103.db2.gz PEDQRNGPPQAVHX-CQSZACIVSA-N 0 0 435.956 2.669 50 0 IFAARN COc1cc(-n2c(=O)c3ccccc3n(CC(=O)C(C)(C)C)c2=O)cc(OC)c1OC ZINC000034858144 521919698 /nfs/dbraw/zinc/91/96/98/521919698.db2.gz MKGDEXAFZSLWJR-UHFFFAOYSA-N 0 0 426.469 2.793 50 0 IFAARN CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2ccc(OC)cc2OC)c1=O ZINC000012453810 521921907 /nfs/dbraw/zinc/92/19/07/521921907.db2.gz NPYNCBPRCTYRKU-UHFFFAOYSA-N 0 0 427.501 2.660 50 0 IFAARN COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@@H](CNC(=O)CCNC(C)=O)C3)cc1 ZINC000012034842 521924266 /nfs/dbraw/zinc/92/42/66/521924266.db2.gz KPZUAMPPXOOAES-GOSISDBHSA-N 0 0 430.888 2.740 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000012806972 521995254 /nfs/dbraw/zinc/99/52/54/521995254.db2.gz JHDDNUUMNHJCIU-UHFFFAOYSA-N 0 0 444.553 2.803 50 0 IFAARN COC(=O)c1ccc(CNC(=O)CC[C@]2(Cc3ccc(F)c(OC)c3)CCC(=O)N2)cc1 ZINC000012185005 522020392 /nfs/dbraw/zinc/02/03/92/522020392.db2.gz OHYZCUJUIVUBCR-XMMPIXPASA-N 0 0 442.487 2.909 50 0 IFAARN COC(=O)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 ZINC000012910909 522026640 /nfs/dbraw/zinc/02/66/40/522026640.db2.gz HTPHNTSNBWBQEB-KRWDZBQOSA-N 0 0 436.555 2.560 50 0 IFAARN CC[C@@H](C)N(C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000012516842 522031783 /nfs/dbraw/zinc/03/17/83/522031783.db2.gz SJMLUKAFCKMRIZ-IEBWSBKVSA-N 0 0 442.025 2.585 50 0 IFAARN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O ZINC000012753533 522044263 /nfs/dbraw/zinc/04/42/63/522044263.db2.gz DLGOVOFIWNHVBZ-HOTGVXAUSA-N 0 0 426.517 2.839 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2c(F)cccc2F)n(-c2ccc(Cl)cc2)c1=O ZINC000034694195 522054436 /nfs/dbraw/zinc/05/44/36/522054436.db2.gz IWKMYWJZAKFVKK-UHFFFAOYSA-N 0 0 446.841 2.975 50 0 IFAARN COc1cc(C(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000016742214 522067006 /nfs/dbraw/zinc/06/70/06/522067006.db2.gz XLDYTSAKGJUQFV-HNNXBMFYSA-N 0 0 439.555 2.912 50 0 IFAARN COCCn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1cccc(C)c1 ZINC000012691640 522072516 /nfs/dbraw/zinc/07/25/16/522072516.db2.gz PXMMEJHHLDAWJR-UHFFFAOYSA-N 0 0 431.543 2.791 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(C)c(C)c4)c3c2=O)cc1 ZINC000012228800 522102466 /nfs/dbraw/zinc/10/24/66/522102466.db2.gz AXCCZKHJSRWHEM-UHFFFAOYSA-N 0 0 445.479 2.933 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)N[C@H](C)CC)CC3)c(C)s2)no1 ZINC000035553800 522142629 /nfs/dbraw/zinc/14/26/29/522142629.db2.gz VXPONLBUNWPQSJ-GFCCVEGCSA-N 0 0 440.591 2.984 50 0 IFAARN COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)C(C)(C)C)cc(OC)c1OC ZINC000012566434 522143624 /nfs/dbraw/zinc/14/36/24/522143624.db2.gz SYOKQBCHXVCHMS-CQSZACIVSA-N 0 0 441.546 2.722 50 0 IFAARN CC[C@@H](C)NC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012512059 522170095 /nfs/dbraw/zinc/17/00/95/522170095.db2.gz FVFWOKWPNHWCDT-GFCCVEGCSA-N 0 0 441.937 2.893 50 0 IFAARN COc1cc(C(C)=O)ccc1OCC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000012761187 522175286 /nfs/dbraw/zinc/17/52/86/522175286.db2.gz TXXHVVHAMIAVJM-UHFFFAOYSA-N 0 0 426.517 2.847 50 0 IFAARN COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000021110008 522176714 /nfs/dbraw/zinc/17/67/14/522176714.db2.gz AMNJYTJWLTXVCJ-CQSZACIVSA-N 0 0 440.452 2.584 50 0 IFAARN COC(=O)c1ccc2c(c1)N(C)S(=O)(=O)c1cnc(SCC(=O)C(C)(C)C)nc1-2 ZINC000001039202 522182036 /nfs/dbraw/zinc/18/20/36/522182036.db2.gz MRGYPPJLYCBPLB-UHFFFAOYSA-N 0 0 435.527 2.776 50 0 IFAARN COC(=O)c1cccc(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)Cn2cncn2)C3)c1 ZINC000012149993 522187752 /nfs/dbraw/zinc/18/77/52/522187752.db2.gz PHKWTVCQQVXIJV-KRWDZBQOSA-N 0 0 426.860 2.505 50 0 IFAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000014247761 522232320 /nfs/dbraw/zinc/23/23/20/522232320.db2.gz CSRQNDRBZJHOMK-GOSISDBHSA-N 0 0 445.585 2.526 50 0 IFAARN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000012520368 522239173 /nfs/dbraw/zinc/23/91/73/522239173.db2.gz ABMRJFLYMDOADY-UHFFFAOYSA-N 0 0 433.559 2.610 50 0 IFAARN CC[C@@H](C)[C@@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(C)C1=O ZINC000036029187 522333545 /nfs/dbraw/zinc/33/35/45/522333545.db2.gz CAXXSWXVARKAGP-WBMJQRKESA-N 0 0 434.389 2.951 50 0 IFAARN CN(C)c1nc2ncnc(SCC(=O)N3CCN(c4ccccc4F)CC3)c2s1 ZINC000035532707 522337949 /nfs/dbraw/zinc/33/79/49/522337949.db2.gz CSHJUDPTDNXFSN-UHFFFAOYSA-N 0 0 432.550 2.732 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)cc(OC)c1)C(=O)OC ZINC000020761403 522375614 /nfs/dbraw/zinc/37/56/14/522375614.db2.gz QATGDIKBGJSNQD-MJWYBRSISA-N 0 0 430.505 2.672 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccc(F)cc1)[C@](C)(C(=O)NC1CCCCC1)C2 ZINC000021873040 522391829 /nfs/dbraw/zinc/39/18/29/522391829.db2.gz IWCICCPUDOWHNI-QHCPKHFHSA-N 0 0 442.491 2.672 50 0 IFAARN COC(=O)c1sc2nc(C)c3c(c2c1NC(=O)CN1CCOCC1)CC(C)(C)OC3 ZINC000020589346 522430625 /nfs/dbraw/zinc/43/06/25/522430625.db2.gz PZDRAIITOMSZDC-UHFFFAOYSA-N 0 0 433.530 2.513 50 0 IFAARN COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CC(=O)NCc1ccccc1 ZINC000015864555 522432369 /nfs/dbraw/zinc/43/23/69/522432369.db2.gz MHWKPCPWHKGULG-UHFFFAOYSA-N 0 0 432.523 2.625 50 0 IFAARN CN(CC(=O)N1CCN(Cc2ccccc2)CC1)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000012692168 522437978 /nfs/dbraw/zinc/43/79/78/522437978.db2.gz FYFNBSLVIJIBJI-RUZDIDTESA-N 0 0 434.584 2.626 50 0 IFAARN COC(=O)c1sccc1NC(=O)Cn1ccn2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000012414468 522447588 /nfs/dbraw/zinc/44/75/88/522447588.db2.gz ICBFYYSVMFIOPO-UHFFFAOYSA-N 0 0 438.465 2.658 50 0 IFAARN COC(=O)c1sccc1S(=O)(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000012737628 522450229 /nfs/dbraw/zinc/45/02/29/522450229.db2.gz CGXQMXZEBZDBOR-UHFFFAOYSA-N 0 0 444.534 2.835 50 0 IFAARN COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCN(c3ccc(O)cc3)CC2)C1=O ZINC000021816764 522509302 /nfs/dbraw/zinc/50/93/02/522509302.db2.gz CGBZMHQRCFCXFU-IBGZPJMESA-N 0 0 429.904 2.817 50 0 IFAARN COc1cc(Cn2c(C(=O)N3CCN(C(C)=O)CC3)cc3oc(C)cc32)cc(OC)c1 ZINC000035838340 522561156 /nfs/dbraw/zinc/56/11/56/522561156.db2.gz GUGIJNCUFNYIDM-UHFFFAOYSA-N 0 0 425.485 2.913 50 0 IFAARN COC[C@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000021323353 522627960 /nfs/dbraw/zinc/62/79/60/522627960.db2.gz DBZUJDHCQLESNS-INIZCTEOSA-N 0 0 426.560 2.726 50 0 IFAARN COc1cc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)cc(OC)c1 ZINC000021940854 522649615 /nfs/dbraw/zinc/64/96/15/522649615.db2.gz ZZMHJBHEPPODBG-UHFFFAOYSA-N 0 0 435.484 2.980 50 0 IFAARN COc1cc(NC(=O)CCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc(OC)c1 ZINC000021540406 522656585 /nfs/dbraw/zinc/65/65/85/522656585.db2.gz PHOFNMJDOOCQGC-UHFFFAOYSA-N 0 0 437.431 2.608 50 0 IFAARN COC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000012582687 522694839 /nfs/dbraw/zinc/69/48/39/522694839.db2.gz QMYZIMISBNWPLA-QHCPKHFHSA-N 0 0 437.540 2.807 50 0 IFAARN COC1CCN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)CC1 ZINC000012244093 522695033 /nfs/dbraw/zinc/69/50/33/522695033.db2.gz MDZDJAYJAQPBHJ-NRFANRHFSA-N 0 0 438.446 2.892 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)cc(OC)c1OC ZINC000021657324 522705753 /nfs/dbraw/zinc/70/57/53/522705753.db2.gz ZKUGZHPCFUCYKG-CQSZACIVSA-N 0 0 427.457 2.662 50 0 IFAARN CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)N[C@H](C)CC)c1)NC(=O)CCC2=O ZINC000033276709 522706535 /nfs/dbraw/zinc/70/65/35/522706535.db2.gz BCCKOLQWEMERTK-GFCCVEGCSA-N 0 0 434.518 2.570 50 0 IFAARN COCC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(F)cc1 ZINC000035960535 522720599 /nfs/dbraw/zinc/72/05/99/522720599.db2.gz ARMCMUSOYCXQJF-FQEVSTJZSA-N 0 0 443.475 2.625 50 0 IFAARN COCC(=O)N(Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(OC)c(OC)c2)=NO1 ZINC000035835362 522733972 /nfs/dbraw/zinc/73/39/72/522733972.db2.gz HZIPXKWFPQRNLF-LJQANCHMSA-N 0 0 428.485 2.881 50 0 IFAARN COc1cc(OC)c(NC(=O)C2CCN(c3ccc4nnc(C)n4n3)CC2)cc1Cl ZINC000020728668 522798907 /nfs/dbraw/zinc/79/89/07/522798907.db2.gz GYJXQKNCFDBFNU-UHFFFAOYSA-N 0 0 430.896 2.958 50 0 IFAARN COc1cc(OC)c(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1Cl ZINC000012884115 522808614 /nfs/dbraw/zinc/80/86/14/522808614.db2.gz UCGHFUMXNGRWGZ-OAQYLSRUSA-N 0 0 429.860 2.905 50 0 IFAARN COc1cc(OC)c(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000012759104 522814264 /nfs/dbraw/zinc/81/42/64/522814264.db2.gz VOJADSDWBLWLBY-HNNXBMFYSA-N 0 0 438.933 2.989 50 0 IFAARN CC[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cc(C)on1 ZINC000012812789 522829800 /nfs/dbraw/zinc/82/98/00/522829800.db2.gz HBHMHZQDOHLWFQ-KRWDZBQOSA-N 0 0 437.408 2.946 50 0 IFAARN COc1cc(OC)cc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)o2)c1 ZINC000016047941 522839875 /nfs/dbraw/zinc/83/98/75/522839875.db2.gz GIJRZDIKRBYNMJ-UHFFFAOYSA-N 0 0 431.470 2.865 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2cccs2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020858035 522889958 /nfs/dbraw/zinc/88/99/58/522889958.db2.gz GTLGHYBNWNWHMW-OAHLLOKOSA-N 0 0 426.903 2.656 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2cccc(Cl)c2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020858124 522890428 /nfs/dbraw/zinc/89/04/28/522890428.db2.gz SOZQXRXEMVVREM-GOSISDBHSA-N 0 0 434.901 2.903 50 0 IFAARN COCc1c(C(=O)N(C)[C@H]2CCOC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012121753 522896155 /nfs/dbraw/zinc/89/61/55/522896155.db2.gz UQFXTXLCPQWBFW-SFHVURJKSA-N 0 0 433.512 2.825 50 0 IFAARN COC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000012605860 522912178 /nfs/dbraw/zinc/91/21/78/522912178.db2.gz GSUXBMPTBXRHID-UHFFFAOYSA-N 0 0 438.452 2.791 50 0 IFAARN COCc1cc(N2CCCC2)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000036053889 522927125 /nfs/dbraw/zinc/92/71/25/522927125.db2.gz DRVFXSUMRZCOBL-UHFFFAOYSA-N 0 0 428.558 2.988 50 0 IFAARN COc1cc([C@@H]2CN(C(=S)NC(C)C)C[C@H]2C(=O)NCC2CC2)cc(OC)c1OC ZINC000036044703 522927025 /nfs/dbraw/zinc/92/70/25/522927025.db2.gz RSXMRAGPHOSBNY-DLBZAZTESA-N 0 0 435.590 2.537 50 0 IFAARN CCc1noc2ncnc(N3CCC[C@@H](C(=O)NCc4cc(OC)ccc4OC)C3)c12 ZINC000021881585 522928000 /nfs/dbraw/zinc/92/80/00/522928000.db2.gz RMMHDFAEELCWEO-CQSZACIVSA-N 0 0 425.489 2.730 50 0 IFAARN COc1cc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)ccc1OCC(N)=O ZINC000021725642 522961124 /nfs/dbraw/zinc/96/11/24/522961124.db2.gz LORBMNZNLDYUMH-CYBMUJFWSA-N 0 0 449.492 2.829 50 0 IFAARN COc1cc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc(Cl)c1OC ZINC000012506771 522962338 /nfs/dbraw/zinc/96/23/38/522962338.db2.gz SMOPPHJSUJGHKL-SFHVURJKSA-N 0 0 429.864 2.965 50 0 IFAARN COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2c(F)cccc2Cl)CC3)o1 ZINC000020599328 522962607 /nfs/dbraw/zinc/96/26/07/522962607.db2.gz LZRRHHSSNDGPQB-UHFFFAOYSA-N 0 0 447.898 2.798 50 0 IFAARN CN(CCc1noc(COc2ccccc2F)n1)S(=O)(=O)c1ccc(F)cc1F ZINC000035479572 522997547 /nfs/dbraw/zinc/99/75/47/522997547.db2.gz LZEWIQOQMPEOEM-UHFFFAOYSA-N 0 0 427.404 2.929 50 0 IFAARN CC[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cc(C)on1 ZINC000012812784 523016216 /nfs/dbraw/zinc/01/62/16/523016216.db2.gz HBHMHZQDOHLWFQ-QGZVFWFLSA-N 0 0 437.408 2.946 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(Br)ccc1-n1cnnn1)CC2 ZINC000012321557 523028321 /nfs/dbraw/zinc/02/83/21/523028321.db2.gz WWCLMVRWQJLPLB-UHFFFAOYSA-N 0 0 444.289 2.641 50 0 IFAARN COc1cc2cc(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)[nH]c2c(OC)c1 ZINC000012782040 523056863 /nfs/dbraw/zinc/05/68/63/523056863.db2.gz SJJQEXUSQBBWEI-UHFFFAOYSA-N 0 0 438.484 2.708 50 0 IFAARN COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000012409865 523072133 /nfs/dbraw/zinc/07/21/33/523072133.db2.gz GYPXKFNWQAJZEW-QGZVFWFLSA-N 0 0 441.505 2.705 50 0 IFAARN COc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)[nH]n2)cc1S(=O)(=O)N(C)C ZINC000021806332 523098969 /nfs/dbraw/zinc/09/89/69/523098969.db2.gz CZVXTACQPACCIC-UHFFFAOYSA-N 0 0 428.514 2.574 50 0 IFAARN CCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc(C)cc2Cl)c1=O ZINC000033140924 523108233 /nfs/dbraw/zinc/10/82/33/523108233.db2.gz HUBLMLALXQBGKM-UHFFFAOYSA-N 0 0 447.948 2.840 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(OC)cc(OC)c4)nc(C)n3n2)cc1 ZINC000021807904 523117739 /nfs/dbraw/zinc/11/77/39/523117739.db2.gz XGPDBGWCWXEYBX-UHFFFAOYSA-N 0 0 449.467 2.531 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(OC)ccc4OC)ccn3n2)cc1 ZINC000021932170 523118181 /nfs/dbraw/zinc/11/81/81/523118181.db2.gz PRCHSFFYAHWULQ-UHFFFAOYSA-N 0 0 434.452 2.828 50 0 IFAARN COc1ccc(-c2cc3ncn(CC(=O)O[C@@H](C)C(=O)NC(C)C)c(=O)c3s2)cc1 ZINC000022021604 523125259 /nfs/dbraw/zinc/12/52/59/523125259.db2.gz PUSJGVQFFJGENT-ZDUSSCGKSA-N 0 0 429.498 2.590 50 0 IFAARN CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)N[C@H]3CCOC3)c21 ZINC000012098016 523145162 /nfs/dbraw/zinc/14/51/62/523145162.db2.gz XYJDVXSXUUXTJY-HNNXBMFYSA-N 0 0 428.514 2.684 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 ZINC000035460829 523149751 /nfs/dbraw/zinc/14/97/51/523149751.db2.gz KSMGWTMFFBQZGW-QGZVFWFLSA-N 0 0 449.573 2.713 50 0 IFAARN COc1ccc(-c2coc3c(ccc4c3CN([C@@H]3CCS(=O)(=O)C3)CO4)c2=O)cc1 ZINC000012442551 523158095 /nfs/dbraw/zinc/15/80/95/523158095.db2.gz UTXFTKCIURXJII-OAHLLOKOSA-N 0 0 427.478 2.808 50 0 IFAARN CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 ZINC000012851459 523169736 /nfs/dbraw/zinc/16/97/36/523169736.db2.gz ZBMITNOQJQNYDL-SNVBAGLBSA-N 0 0 449.537 2.898 50 0 IFAARN COCc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=O)c1CCC(C)C ZINC000022448824 523210554 /nfs/dbraw/zinc/21/05/54/523210554.db2.gz CMYSVRCNFSOVNT-UHFFFAOYSA-N 0 0 428.533 2.556 50 0 IFAARN COc1ccc(-c2nc3c4c(C)c(C)n(CCN5CCOCC5)c4ncn3n2)cc1OC ZINC000020624236 523226455 /nfs/dbraw/zinc/22/64/55/523226455.db2.gz VYLMBGUWRAJAKC-UHFFFAOYSA-N 0 0 436.516 2.712 50 0 IFAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000022797043 523244416 /nfs/dbraw/zinc/24/44/16/523244416.db2.gz DCKJEJJFMRARKS-UHFFFAOYSA-N 0 0 445.567 2.944 50 0 IFAARN COCc1nnc(C(=O)Nc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)s1 ZINC000033027530 523250186 /nfs/dbraw/zinc/25/01/86/523250186.db2.gz NCQPDUIQFBFYAH-UHFFFAOYSA-N 0 0 426.454 2.596 50 0 IFAARN COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5cccnc5)CC4)nn32)cc1 ZINC000033260016 523267155 /nfs/dbraw/zinc/26/71/55/523267155.db2.gz BDWXSGWGPWNWHP-UHFFFAOYSA-N 0 0 443.511 2.728 50 0 IFAARN COc1ccc(-c2nnc([C@H](C)Sc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)o2)cc1 ZINC000021625802 523268182 /nfs/dbraw/zinc/26/81/82/523268182.db2.gz KXXXCDDBVJBVGT-NWDGAFQWSA-N 0 0 436.515 2.959 50 0 IFAARN CCn1c2ccccc2nc(SCC(=O)N2CCN(c3cccc(OC)c3)CC2)c1=O ZINC000033259755 523284052 /nfs/dbraw/zinc/28/40/52/523284052.db2.gz ZLMSDTNJBUXTDL-UHFFFAOYSA-N 0 0 438.553 2.866 50 0 IFAARN COc1ccc(-c2noc(CN3CCC(C(=O)NCCCOC(C)C)CC3)n2)cc1OC ZINC000021880554 523286201 /nfs/dbraw/zinc/28/62/01/523286201.db2.gz ZEKQSJAENUNBFX-UHFFFAOYSA-N 0 0 446.548 2.897 50 0 IFAARN COc1ccc(-c2noc(CN3C(=O)N[C@](C)(Cc4ccc5c(c4)OCO5)C3=O)n2)cc1 ZINC000012767268 523287528 /nfs/dbraw/zinc/28/75/28/523287528.db2.gz NQVPCERSUYAZCS-JOCHJYFZSA-N 0 0 436.424 2.527 50 0 IFAARN COCCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000020903127 523291987 /nfs/dbraw/zinc/29/19/87/523291987.db2.gz LQRCYLJBLBOJNS-DEOSSOPVSA-N 0 0 443.544 2.968 50 0 IFAARN COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)cc2C1=O ZINC000024596917 523294547 /nfs/dbraw/zinc/29/45/47/523294547.db2.gz QHZPHYKSIDKVEE-UHFFFAOYSA-N 0 0 446.463 2.536 50 0 IFAARN COc1ccc(-n2c(C)cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c(OC)c1 ZINC000012541319 523314618 /nfs/dbraw/zinc/31/46/18/523314618.db2.gz VKBQKCBCSDOYMV-UHFFFAOYSA-N 0 0 425.489 2.510 50 0 IFAARN COc1ccc(-n2nnc3c2ncn(CC(=O)Nc2cccc(C(F)(F)F)c2)c3=O)cc1 ZINC000016955139 523355230 /nfs/dbraw/zinc/35/52/30/523355230.db2.gz SEBMDSYWRZVPPL-UHFFFAOYSA-N 0 0 444.373 2.643 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2)C[C@H]1c1cc(OC)ccc1OC ZINC000036045419 523360795 /nfs/dbraw/zinc/36/07/95/523360795.db2.gz HFYDZUVCTZNBAR-SFTDATJTSA-N 0 0 426.513 2.712 50 0 IFAARN COc1ccc(/C=C\C(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000033534899 523432675 /nfs/dbraw/zinc/43/26/75/523432675.db2.gz BWUQUYWEELSXRX-POHAHGRESA-N 0 0 442.537 2.857 50 0 IFAARN CN(Cc1cccs1)C(=O)COC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000021243052 523442080 /nfs/dbraw/zinc/44/20/80/523442080.db2.gz ULYUCDCOKHRJPB-UHFFFAOYSA-N 0 0 433.574 2.908 50 0 IFAARN CN(Cc1ccsc1)C(=O)CSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 ZINC000012813109 523484029 /nfs/dbraw/zinc/48/40/29/523484029.db2.gz GGIBOGKPUSXPGY-UHFFFAOYSA-N 0 0 443.554 2.504 50 0 IFAARN COCCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(Cl)c3)no2)c1=O ZINC000023126696 523495703 /nfs/dbraw/zinc/49/57/03/523495703.db2.gz LMUDBGOZGDVOIX-UHFFFAOYSA-N 0 0 426.860 2.951 50 0 IFAARN COc1ccc(Br)cc1CNC(=O)CCCN1c2cc(C)nn2CCC1=O ZINC000020944066 523497606 /nfs/dbraw/zinc/49/76/06/523497606.db2.gz QDHHIDNTJLOCMX-UHFFFAOYSA-N 0 0 435.322 2.796 50 0 IFAARN CN(Cc1nc2ccccc2s1)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022793305 523569249 /nfs/dbraw/zinc/56/92/49/523569249.db2.gz QNDKTQQMYGTOLE-UHFFFAOYSA-N 0 0 438.553 2.801 50 0 IFAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC000022321945 523570417 /nfs/dbraw/zinc/57/04/17/523570417.db2.gz LMWHMHWCBTWXIQ-UHFFFAOYSA-N 0 0 443.506 2.824 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 ZINC000041157315 523574469 /nfs/dbraw/zinc/57/44/69/523574469.db2.gz XEQGSKCIDKSXGV-UXHICEINSA-N 0 0 428.554 2.747 50 0 IFAARN CC[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2c([O-])[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)[NH2+]1 ZINC000012892344 523587438 /nfs/dbraw/zinc/58/74/38/523587438.db2.gz ORSQOPFGRYPMEL-ASSNKEHSSA-N 0 0 432.480 2.735 50 0 IFAARN COC(=O)[C@@H](CSCc1ccccc1)NC(=O)CSc1nc(SC)ns1 ZINC000012417355 523592237 /nfs/dbraw/zinc/59/22/37/523592237.db2.gz VJADKVKHDCSAMN-GFCCVEGCSA-N 0 0 429.614 2.943 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCNC(=O)c1ccccc1Br ZINC000041157685 523592872 /nfs/dbraw/zinc/59/28/72/523592872.db2.gz BENDOUGOBOACGP-GOSISDBHSA-N 0 0 447.329 2.860 50 0 IFAARN COC(=O)[C@@H](NC(=O)CC[C@@]1(Cc2ccc(F)c(OC)c2)CCC(=O)N1)c1ccccc1 ZINC000012205470 523607073 /nfs/dbraw/zinc/60/70/73/523607073.db2.gz YWRMCHURSPQZOI-UPVQGACJSA-N 0 0 442.487 2.836 50 0 IFAARN CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O ZINC000012899861 523627728 /nfs/dbraw/zinc/62/77/28/523627728.db2.gz UYUUSCHQMIBSGG-XMMPIXPASA-N 0 0 434.496 2.918 50 0 IFAARN CCn1nc(C)c(CCNC(=O)CCCn2c3ccccc3c3cnn(C)c(=O)c32)c1C ZINC000035397007 523636208 /nfs/dbraw/zinc/63/62/08/523636208.db2.gz CICZFOLEAGUOQM-UHFFFAOYSA-N 0 0 434.544 2.861 50 0 IFAARN CN(c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1)S(C)(=O)=O ZINC000012414099 523636767 /nfs/dbraw/zinc/63/67/67/523636767.db2.gz KXFGNOHTZGVXOK-UHFFFAOYSA-N 0 0 427.482 2.858 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F)C(=O)COC ZINC000035946702 523650335 /nfs/dbraw/zinc/65/03/35/523650335.db2.gz DMFCOEHHXVKQEH-OAQYLSRUSA-N 0 0 445.466 2.764 50 0 IFAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(F)c1 ZINC000012740715 523651210 /nfs/dbraw/zinc/65/12/10/523651210.db2.gz SLANECNADXIXTN-UHFFFAOYSA-N 0 0 432.517 2.860 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1ccc(C)cc1C ZINC000035374242 523671638 /nfs/dbraw/zinc/67/16/38/523671638.db2.gz FSWDPYOREVOWJQ-UHFFFAOYSA-N 0 0 435.484 2.585 50 0 IFAARN CCn1nc(C)cc1C(=O)N1CC(=O)N(CC(C)C)C[C@@H](OCc2ccccc2F)C1 ZINC000014533470 523673141 /nfs/dbraw/zinc/67/31/41/523673141.db2.gz BPDXTODPSIZKIO-LJQANCHMSA-N 0 0 430.524 2.876 50 0 IFAARN CCn1nc(C)cc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012587188 523673587 /nfs/dbraw/zinc/67/35/87/523673587.db2.gz KTQQMTMMNHNRAD-HXUWFJFHSA-N 0 0 438.576 2.588 50 0 IFAARN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccc(F)c3)cc2)C1 ZINC000012921460 523688553 /nfs/dbraw/zinc/68/85/53/523688553.db2.gz IQFNKOUMCIJCIF-MRXNPFEDSA-N 0 0 434.489 2.581 50 0 IFAARN COc1ccc(C(=O)NCC(=O)OCc2ccc(OC(F)F)c(OC)c2)cc1OC ZINC000022982563 523689776 /nfs/dbraw/zinc/68/97/76/523689776.db2.gz WDHPOMSAMPBTPI-UHFFFAOYSA-N 0 0 425.384 2.787 50 0 IFAARN COCCN(CCC(=O)NCc1ccccn1)C(=O)c1cc(-c2cccc(OC)c2)on1 ZINC000036002454 523691368 /nfs/dbraw/zinc/69/13/68/523691368.db2.gz JAUQPPZLCVLZPH-UHFFFAOYSA-N 0 0 438.484 2.540 50 0 IFAARN COc1ccc(C(=O)NCCCOc2cccnc2)cc1OC1CCN(C(C)=O)CC1 ZINC000012318776 523694394 /nfs/dbraw/zinc/69/43/94/523694394.db2.gz CXYHCCLOHGZPAF-UHFFFAOYSA-N 0 0 427.501 2.679 50 0 IFAARN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(F)c(F)c2)CC3)cc1 ZINC000012184093 523703288 /nfs/dbraw/zinc/70/32/88/523703288.db2.gz JHMNHGHMPMHWOA-UHFFFAOYSA-N 0 0 441.482 2.596 50 0 IFAARN CN1C(=O)C[C@](CC(=O)N2CCC(Oc3cccnc3)CC2)(c2ccccc2Cl)C1=O ZINC000012210505 523712839 /nfs/dbraw/zinc/71/28/39/523712839.db2.gz PSFDWNUYRPTEOD-QHCPKHFHSA-N 0 0 441.915 2.822 50 0 IFAARN COc1ccc(C(=O)N[C@@H](CCSC)C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000012595859 523724933 /nfs/dbraw/zinc/72/49/33/523724933.db2.gz NEFAQIJZNJRIJL-IBGZPJMESA-N 0 0 444.553 2.977 50 0 IFAARN CN1C(=O)c2cc(C(=O)NC3CCCCC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021875497 523727485 /nfs/dbraw/zinc/72/74/85/523727485.db2.gz GLMFWXIGRCXGMR-HSZRJFAPSA-N 0 0 429.565 2.629 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)C2CC2)s1 ZINC000012889947 523776032 /nfs/dbraw/zinc/77/60/32/523776032.db2.gz PAQHCLAJWDEYTF-UHFFFAOYSA-N 0 0 426.498 2.622 50 0 IFAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000032983449 523778060 /nfs/dbraw/zinc/77/80/60/523778060.db2.gz BNUWJKMRXXAUNL-QGZVFWFLSA-N 0 0 440.525 2.822 50 0 IFAARN CCc1cc(CNC(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)on1 ZINC000012575579 523788428 /nfs/dbraw/zinc/78/84/28/523788428.db2.gz WWUBYSYJTNEPEV-UHFFFAOYSA-N 0 0 441.937 2.623 50 0 IFAARN CCc1cc(N2CCN(C(C)=O)CC2)nc(SCc2ccc(C(=O)NCC(C)C)o2)n1 ZINC000036028510 523794646 /nfs/dbraw/zinc/79/46/46/523794646.db2.gz JDMNZNCGNNJYHD-UHFFFAOYSA-N 0 0 445.589 2.979 50 0 IFAARN CCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)o2)n1 ZINC000036028475 523797065 /nfs/dbraw/zinc/79/70/65/523797065.db2.gz OPUSLMNSWKQPHF-INIZCTEOSA-N 0 0 432.546 2.670 50 0 IFAARN COc1ccc(C)cc1CN1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000022790308 523809972 /nfs/dbraw/zinc/80/99/72/523809972.db2.gz HBWRPLCZHOCVBQ-UHFFFAOYSA-N 0 0 436.556 2.652 50 0 IFAARN COC(=O)[C@@H]1[C@H](c2ccc(OCc3ccccc3)cc2)[C@H](C(=O)OC)C(=O)C[C@]1(C)O ZINC000015938288 523812860 /nfs/dbraw/zinc/81/28/60/523812860.db2.gz LNRRHEGBTGNKRX-YOEKFXIASA-N 0 0 426.465 2.651 50 0 IFAARN CN(C(=O)COC(=O)CNC(=O)c1ccco1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000021735388 523829281 /nfs/dbraw/zinc/82/92/81/523829281.db2.gz PPCZMTZZKYTAIV-QFIPXVFZSA-N 0 0 446.887 2.703 50 0 IFAARN CC[C@H](C)CC(=O)N1CCc2c(sc(S(=O)(=O)N3CCCC3)c2C(=O)OC)C1 ZINC000012281133 523847402 /nfs/dbraw/zinc/84/74/02/523847402.db2.gz UHUZXAFDGMGKFA-ZDUSSCGKSA-N 0 0 428.576 2.640 50 0 IFAARN CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000021152025 523855457 /nfs/dbraw/zinc/85/54/57/523855457.db2.gz DDAKQGOCWFTZOT-UHFFFAOYSA-N 0 0 442.516 2.649 50 0 IFAARN CC[C@H](C)CN1C(=O)[C@H](C(C)C)NC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000036024587 523879788 /nfs/dbraw/zinc/87/97/88/523879788.db2.gz AGMTVAMWIBGUPQ-LPHOPBHVSA-N 0 0 425.570 2.809 50 0 IFAARN CN1CCN(C(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000022714602 523882549 /nfs/dbraw/zinc/88/25/49/523882549.db2.gz IZAOCTDRFNYWHH-UHFFFAOYSA-N 0 0 427.508 2.575 50 0 IFAARN COC(=O)[C@H](CSCc1ccccc1)NC(=O)CSc1nc(SC)ns1 ZINC000012417358 523908943 /nfs/dbraw/zinc/90/89/43/523908943.db2.gz VJADKVKHDCSAMN-LBPRGKRZSA-N 0 0 429.614 2.943 50 0 IFAARN COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1c1cccc(OC)c1OC ZINC000036054243 523913029 /nfs/dbraw/zinc/91/30/29/523913029.db2.gz UDHBXDRREIDSCH-VQTJNVASSA-N 0 0 426.513 2.631 50 0 IFAARN COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1c1cccc(OC)c1OC ZINC000036054252 523913573 /nfs/dbraw/zinc/91/35/73/523913573.db2.gz YMDQZMLWYCZGOT-RBUKOAKNSA-N 0 0 446.931 2.976 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(Br)cc3F)nc2)CC1 ZINC000012528621 523914664 /nfs/dbraw/zinc/91/46/64/523914664.db2.gz GBKVLUUTKNJJLN-UHFFFAOYSA-N 0 0 430.299 2.712 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000012753056 523915244 /nfs/dbraw/zinc/91/52/44/523915244.db2.gz LBUJKMKGMHAFAN-UHFFFAOYSA-N 0 0 441.475 2.823 50 0 IFAARN COc1ccc(CCC(=O)N2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)cc1 ZINC000012278870 523916875 /nfs/dbraw/zinc/91/68/75/523916875.db2.gz HHKUXFLUYLKFNE-IBGZPJMESA-N 0 0 427.549 2.829 50 0 IFAARN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000020450363 523925619 /nfs/dbraw/zinc/92/56/19/523925619.db2.gz LCVSXUKMZQCZJL-UHFFFAOYSA-N 0 0 438.528 2.991 50 0 IFAARN COCCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000013006557 523928407 /nfs/dbraw/zinc/92/84/07/523928407.db2.gz MLLLMZOQWWGVKS-UHFFFAOYSA-N 0 0 430.404 2.609 50 0 IFAARN COCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](C)N2C1=O ZINC000012880867 523929166 /nfs/dbraw/zinc/92/91/66/523929166.db2.gz DWAPMTSAHUFLLD-XOBRGWDASA-N 0 0 432.480 2.999 50 0 IFAARN COc1ccc(CCN2CC(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1OC ZINC000012660755 523949948 /nfs/dbraw/zinc/94/99/48/523949948.db2.gz SBCIWWDMTLKQBA-VWLOTQADSA-N 0 0 433.508 2.870 50 0 IFAARN COc1ccc(CCN2C[C@H](C(=O)Nc3ccc4oc(=O)ccc4c3)CC2=O)cc1OC ZINC000020718987 523953135 /nfs/dbraw/zinc/95/31/35/523953135.db2.gz DBPSOTPWDVZAHJ-QGZVFWFLSA-N 0 0 436.464 2.840 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(C(=O)c3n[nH]c4ccccc43)CC2)cc1OC ZINC000012235321 523953852 /nfs/dbraw/zinc/95/38/52/523953852.db2.gz UFTKHHIIQDQVCN-UHFFFAOYSA-N 0 0 436.512 2.791 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000020581476 523963095 /nfs/dbraw/zinc/96/30/95/523963095.db2.gz UTGQKAPGFIZIAH-MOPGFXCFSA-N 0 0 447.944 2.949 50 0 IFAARN CC[C@H](C)NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000020686010 523964325 /nfs/dbraw/zinc/96/43/25/523964325.db2.gz DQYHXZVFNWQYQR-SFHVURJKSA-N 0 0 449.617 2.549 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H]2CS[C@@H]3c4ccc(OC)c(OC)c4C(=O)N23)cc1 ZINC000012867202 523965965 /nfs/dbraw/zinc/96/59/65/523965965.db2.gz GSOGRAPQJPLAMV-KSFYIVLOSA-N 0 0 428.510 2.641 50 0 IFAARN COCCOC(=O)CCC(=O)NC(=S)Nc1ccc(OCCOc2ccccc2)cc1 ZINC000012137321 523970662 /nfs/dbraw/zinc/97/06/62/523970662.db2.gz HQJDKDOLHBIZRY-UHFFFAOYSA-N 0 0 446.525 2.927 50 0 IFAARN COc1ccc(CCNC(=O)c2[nH]nc3c2CN(C(=O)Cc2ccc(OC)cc2)CC3)cc1 ZINC000034831996 523972608 /nfs/dbraw/zinc/97/26/08/523972608.db2.gz HKGHJRYPAPBURN-UHFFFAOYSA-N 0 0 448.523 2.527 50 0 IFAARN CN(C)C(=O)CCC(=O)N1CCN(Cc2cccc(-c3noc(C4CCCC4)n3)c2)CC1 ZINC000022644222 523974088 /nfs/dbraw/zinc/97/40/88/523974088.db2.gz RYSMNAQYXMGNDX-UHFFFAOYSA-N 0 0 439.560 2.907 50 0 IFAARN COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3nc(N)nc(Nc4ccccc4)n3)C2=O)cc1 ZINC000009338581 523981878 /nfs/dbraw/zinc/98/18/78/523981878.db2.gz VMUICJBNEWVZJD-HSZRJFAPSA-N 0 0 447.499 2.649 50 0 IFAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3ccc(CNC(C)=O)s3)C2=O)cc1 ZINC000016680263 523983747 /nfs/dbraw/zinc/98/37/47/523983747.db2.gz KHFLPMASZPTEEA-QFIPXVFZSA-N 0 0 443.525 2.519 50 0 IFAARN COc1ccc(CN(C(=O)c2cc(=O)c3cc(C)ccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000015831126 523990635 /nfs/dbraw/zinc/99/06/35/523990635.db2.gz VBAQZAWEEMSAHA-QGZVFWFLSA-N 0 0 441.505 2.940 50 0 IFAARN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000012814052 523996231 /nfs/dbraw/zinc/99/62/31/523996231.db2.gz JNEFCWHHLJGQPM-OAQYLSRUSA-N 0 0 437.540 2.609 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCOc2ccccc2)c(C)c1C ZINC000012717423 524034129 /nfs/dbraw/zinc/03/41/29/524034129.db2.gz YRWAJBHJOHXFBW-QFIPXVFZSA-N 0 0 439.556 2.540 50 0 IFAARN COc1ccc(CNC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 ZINC000012233040 524054451 /nfs/dbraw/zinc/05/44/51/524054451.db2.gz CIENMKHSIXRLOK-KRWDZBQOSA-N 0 0 447.520 2.944 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3ccccc3n(Cc3ccccc3)c(=O)c2=O)cc1 ZINC000021944164 524055836 /nfs/dbraw/zinc/05/58/36/524055836.db2.gz TTXRDKXYAHMEIG-UHFFFAOYSA-N 0 0 429.476 2.537 50 0 IFAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(C)cc3C(=O)N2c2cccc(OC)c2)cc1 ZINC000035477343 524063713 /nfs/dbraw/zinc/06/37/13/524063713.db2.gz VWACMQJJCIQKOL-XMMPIXPASA-N 0 0 434.496 2.944 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)N(C)Cc2ccc(OC)c(OC)c2OC)cc1OC ZINC000012872610 524063808 /nfs/dbraw/zinc/06/38/08/524063808.db2.gz DBLVJGNIRUFKKO-HNNXBMFYSA-N 0 0 432.517 2.866 50 0 IFAARN COc1ccc(CNC(=O)c2cc(-c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000012229938 524065452 /nfs/dbraw/zinc/06/54/52/524065452.db2.gz WKUZFLOMYMRPCI-GOSISDBHSA-N 0 0 425.510 2.848 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1 ZINC000035398927 524117341 /nfs/dbraw/zinc/11/73/41/524117341.db2.gz AWHYHRCYNRPJEX-GOSISDBHSA-N 0 0 447.601 2.932 50 0 IFAARN C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1sc2ccccc2c1=O ZINC000020467334 524125892 /nfs/dbraw/zinc/12/58/92/524125892.db2.gz PVDXDHPUXQLYRV-HNNXBMFYSA-N 0 0 425.510 2.697 50 0 IFAARN Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 ZINC000020487021 524135073 /nfs/dbraw/zinc/13/50/73/524135073.db2.gz REUGNWTUVJALTQ-UHFFFAOYSA-N 0 0 429.542 2.817 50 0 IFAARN Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000021112063 524135482 /nfs/dbraw/zinc/13/54/82/524135482.db2.gz PPZRTHZJFCHFSL-UHFFFAOYSA-N 0 0 441.553 2.910 50 0 IFAARN Cc1ccc(C)c(NC(=O)Cn2nc3c4sc(N5CCCCC5)nc4ncn3c2=O)c1 ZINC000033309328 524141446 /nfs/dbraw/zinc/14/14/46/524141446.db2.gz UPWLHFRIVFKJND-UHFFFAOYSA-N 0 0 437.529 2.747 50 0 IFAARN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012749617 524160122 /nfs/dbraw/zinc/16/01/22/524160122.db2.gz OYXOJHGIVKJSTO-LXGFQCHUSA-N 0 0 449.592 2.606 50 0 IFAARN COc1cccc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)c1OC(F)F ZINC000012506912 524186970 /nfs/dbraw/zinc/18/69/70/524186970.db2.gz ZOFZPDZVWMXHTG-KRWDZBQOSA-N 0 0 431.399 2.904 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000012853420 524190798 /nfs/dbraw/zinc/19/07/98/524190798.db2.gz HEJGUYRCENWEFD-UHFFFAOYSA-N 0 0 428.963 2.652 50 0 IFAARN Cc1cccc(C(=O)NCCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c1 ZINC000012916771 524191314 /nfs/dbraw/zinc/19/13/14/524191314.db2.gz SJBOOMOSKVWBHR-LJQANCHMSA-N 0 0 448.523 2.559 50 0 IFAARN Cc1cccc(C(=O)NCCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1 ZINC000012778221 524191607 /nfs/dbraw/zinc/19/16/07/524191607.db2.gz XEJOGZPAHRTQBE-UHFFFAOYSA-N 0 0 436.556 2.515 50 0 IFAARN COc1cccc([C@]2(C)NC(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1 ZINC000033527963 524191782 /nfs/dbraw/zinc/19/17/82/524191782.db2.gz SBMZPDXQXQAZEY-QFIPXVFZSA-N 0 0 428.920 2.895 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCC(=O)NCc3ccco3)c2)c1 ZINC000012548679 524195235 /nfs/dbraw/zinc/19/52/35/524195235.db2.gz ORFIYKHPSHCMCJ-UHFFFAOYSA-N 0 0 441.509 2.743 50 0 IFAARN C[C@H](CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCOCC1 ZINC000020978135 524197197 /nfs/dbraw/zinc/19/71/97/524197197.db2.gz RWFHDKJAJGDLML-LLVKDONJSA-N 0 0 439.481 2.811 50 0 IFAARN C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)C1 ZINC000012870654 524210357 /nfs/dbraw/zinc/21/03/57/524210357.db2.gz MZNQXQXJESRYON-CRAIPNDOSA-N 0 0 428.558 2.981 50 0 IFAARN C[C@@H](C(=O)NCc1ccccc1)N1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2C ZINC000034792938 524212573 /nfs/dbraw/zinc/21/25/73/524212573.db2.gz YKFPNHYRHSHONW-XOBRGWDASA-N 0 0 438.915 2.837 50 0 IFAARN Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)n1 ZINC000012521747 524216585 /nfs/dbraw/zinc/21/65/85/524216585.db2.gz CSTIUPVRHADEDW-UHFFFAOYSA-N 0 0 444.557 2.654 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012029742 524242474 /nfs/dbraw/zinc/24/24/74/524242474.db2.gz KNVCRKBOGYYMMX-HNNXBMFYSA-N 0 0 443.930 2.562 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012860801 524253848 /nfs/dbraw/zinc/25/38/48/524253848.db2.gz FVVGDFGRLSGNAU-YWZLYKJASA-N 0 0 429.904 2.651 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000012847017 524280041 /nfs/dbraw/zinc/28/00/41/524280041.db2.gz KDLLZBQBJKFOFS-OTWHNJEPSA-N 0 0 425.529 2.724 50 0 IFAARN Cc1cccc(C)c1NC(=O)Cn1nc2c3sc(N4CCCCC4)nc3ncn2c1=O ZINC000033309305 524284302 /nfs/dbraw/zinc/28/43/02/524284302.db2.gz IKOVFDZLIYNZIN-UHFFFAOYSA-N 0 0 437.529 2.747 50 0 IFAARN COc1ccccc1-n1c(S[C@H](C)C(=O)NC(=O)NC(C)C)nnc1N1CCCCC1 ZINC000012563328 524302178 /nfs/dbraw/zinc/30/21/78/524302178.db2.gz MJWUZNSPPWFAAR-OAHLLOKOSA-N 0 0 446.577 2.981 50 0 IFAARN COc1ccccc1-n1c2nc(-c3ccc(C(F)(F)F)cc3)nc(C(N)=O)c2[nH]c1=O ZINC000012140171 524302240 /nfs/dbraw/zinc/30/22/40/524302240.db2.gz FAVWSNUEPJPGBQ-UHFFFAOYSA-N 0 0 429.358 2.902 50 0 IFAARN COc1ccccc1-n1c(S[C@@H](C)C(=O)NC(=O)NC(C)C)nnc1N1CCCCC1 ZINC000012563326 524302357 /nfs/dbraw/zinc/30/23/57/524302357.db2.gz MJWUZNSPPWFAAR-HNNXBMFYSA-N 0 0 446.577 2.981 50 0 IFAARN COc1ccccc1-n1ncc2c1c(SCC(=O)Nc1ccc(C(N)=O)cc1)nnc2C ZINC000023137885 524308753 /nfs/dbraw/zinc/30/87/53/524308753.db2.gz VJXGXGLGGXLPFH-UHFFFAOYSA-N 0 0 448.508 2.962 50 0 IFAARN COc1ccc(F)cc1CN1CCN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1 ZINC000022918671 524310819 /nfs/dbraw/zinc/31/08/19/524310819.db2.gz KOTJKILQWYYVQN-UHFFFAOYSA-N 0 0 443.475 2.522 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000001111368 524314928 /nfs/dbraw/zinc/31/49/28/524314928.db2.gz SDDYTAJHHCBIKW-UHFFFAOYSA-N 0 0 433.549 2.720 50 0 IFAARN COc1ccc(F)cc1COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000012506718 524317439 /nfs/dbraw/zinc/31/74/39/524317439.db2.gz UBUPVZLVXWNESR-UHFFFAOYSA-N 0 0 449.504 2.647 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)c(C)c1 ZINC000012931434 524317729 /nfs/dbraw/zinc/31/77/29/524317729.db2.gz HXUTUFCMFADHEP-JOCHJYFZSA-N 0 0 441.597 2.938 50 0 IFAARN Cc1ccc(CCNC(=O)Cn2c3ccccc3n(Cc3ccccc3)c(=O)c2=O)cc1 ZINC000021944237 524326333 /nfs/dbraw/zinc/32/63/33/524326333.db2.gz DZDWZAFKTHIUEQ-UHFFFAOYSA-N 0 0 427.504 2.879 50 0 IFAARN COc1ccccc1C(=O)COC(=O)[C@H](CCSC)NC(=O)COc1ccccc1 ZINC000012911473 524337501 /nfs/dbraw/zinc/33/75/01/524337501.db2.gz ASPHGRBXDJJSMD-SFHVURJKSA-N 0 0 431.510 2.738 50 0 IFAARN C[C@H](CNC(=O)Cn1c2cccnc2n(Cc2ccccc2)c(=O)c1=O)c1ccccc1 ZINC000035450076 524391580 /nfs/dbraw/zinc/39/15/80/524391580.db2.gz AQCLUBPKZKIXNI-GOSISDBHSA-N 0 0 428.492 2.526 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@@H]1C ZINC000035388445 524396814 /nfs/dbraw/zinc/39/68/14/524396814.db2.gz QJWQBNBLMGDWSK-KFWWJZLASA-N 0 0 434.027 2.649 50 0 IFAARN Cc1cccc(CNC(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)n1 ZINC000012320758 524427114 /nfs/dbraw/zinc/42/71/14/524427114.db2.gz YFNISKVWOLEECT-UHFFFAOYSA-N 0 0 437.949 2.776 50 0 IFAARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)cc1 ZINC000015894234 524445589 /nfs/dbraw/zinc/44/55/89/524445589.db2.gz GLTDUOHUWOPDNP-KWNHSTDBSA-N 0 0 443.503 2.822 50 0 IFAARN Cc1ccc(CN2CCCN(CC(=O)N[C@H](C)CCc3ccccc3)S2(=O)=O)cc1 ZINC000020996671 524447167 /nfs/dbraw/zinc/44/71/67/524447167.db2.gz UYLBYPQNRGZYBG-HXUWFJFHSA-N 0 0 429.586 2.885 50 0 IFAARN C[C@@H]1CCN(C(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c2ccccc2S1 ZINC000022914893 524449042 /nfs/dbraw/zinc/44/90/42/524449042.db2.gz HUUWWEQODHONBQ-LJQANCHMSA-N 0 0 430.618 2.534 50 0 IFAARN COc1ccccc1CNC(=O)CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc32)CC1 ZINC000020739438 524462154 /nfs/dbraw/zinc/46/21/54/524462154.db2.gz XBIHSWFSFVISMJ-UHFFFAOYSA-N 0 0 448.523 2.558 50 0 IFAARN COc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000012869504 524469210 /nfs/dbraw/zinc/46/92/10/524469210.db2.gz UUJKZYKFELWWGA-UHFFFAOYSA-N 0 0 429.951 2.626 50 0 IFAARN COc1ccc(NC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)cc1OC ZINC000021027250 524473386 /nfs/dbraw/zinc/47/33/86/524473386.db2.gz QXOMTKVNBIUQHG-UHFFFAOYSA-N 0 0 431.518 2.537 50 0 IFAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)cc1Cl ZINC000012706017 524482702 /nfs/dbraw/zinc/48/27/02/524482702.db2.gz OETHVHXHEIRDGY-AWEZNQCLSA-N 0 0 434.924 2.914 50 0 IFAARN COc1ccc(NC(=O)CCc2c(C)nc3[nH]c(NCc4cccs4)nn3c2=O)cc1 ZINC000021804410 524483749 /nfs/dbraw/zinc/48/37/49/524483749.db2.gz ZYPCOXAAFSDKGU-UHFFFAOYSA-N 0 0 438.513 2.980 50 0 IFAARN COc1ccc(NC(=O)CN(C)C(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1 ZINC000012904593 524488781 /nfs/dbraw/zinc/48/87/81/524488781.db2.gz QUXMJFRNFZLXKS-UHFFFAOYSA-N 0 0 440.887 2.914 50 0 IFAARN COc1ccccc1CNc1ncc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1 ZINC000021036117 524492562 /nfs/dbraw/zinc/49/25/62/524492562.db2.gz NRKZTGDQKIWGOZ-UHFFFAOYSA-N 0 0 435.484 2.597 50 0 IFAARN COc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1OC ZINC000012555302 524497885 /nfs/dbraw/zinc/49/78/85/524497885.db2.gz NJTLBLNBPSMWSR-JOCHJYFZSA-N 0 0 439.512 2.922 50 0 IFAARN COc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c(OC)c1 ZINC000012555757 524498056 /nfs/dbraw/zinc/49/80/56/524498056.db2.gz SKVUHPJNAMVNPL-JOCHJYFZSA-N 0 0 439.512 2.922 50 0 IFAARN Cc1cc(C)n(CC(=O)NCc2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)n1 ZINC000012160757 524510018 /nfs/dbraw/zinc/51/00/18/524510018.db2.gz AMSGVMHTWHWCIP-LJQANCHMSA-N 0 0 440.573 2.727 50 0 IFAARN Cc1ccc(CNC(=O)C[C@H]2COc3cc(S(=O)(=O)N4CCCC4)ccc3N2)cc1 ZINC000015775084 524511487 /nfs/dbraw/zinc/51/14/87/524511487.db2.gz UEHMGMSOMUSFNU-SFHVURJKSA-N 0 0 429.542 2.659 50 0 IFAARN COc1ccc(NC(=O)CSc2nn3c(nnc(Cc4ccccc4)c3=O)s2)cc1 ZINC000020442265 524513550 /nfs/dbraw/zinc/51/35/50/524513550.db2.gz PBTKQPCXZRNLND-UHFFFAOYSA-N 0 0 439.522 2.876 50 0 IFAARN COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)c(OC)c1 ZINC000035456048 524527789 /nfs/dbraw/zinc/52/77/89/524527789.db2.gz IRDQPOQCJVXGDI-UHFFFAOYSA-N 0 0 448.523 2.766 50 0 IFAARN COc1ccc(NC(=O)Cn2c3nc(-c4cccc(C)c4)nn3c(=O)cc2C)c(OC)c1 ZINC000021802928 524529247 /nfs/dbraw/zinc/52/92/47/524529247.db2.gz XSYPYARZIJRRBY-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c(OC)c1 ZINC000012237683 524531275 /nfs/dbraw/zinc/53/12/75/524531275.db2.gz ONHWRACHCNIKEU-UHFFFAOYSA-N 0 0 439.859 2.892 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)c(OC)c1 ZINC000012228273 524532653 /nfs/dbraw/zinc/53/26/53/524532653.db2.gz KWLNKWXSORLFHD-UHFFFAOYSA-N 0 0 437.431 2.686 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3c4cc(OC)c(OC)cc4[nH]c3c2=O)cc1OC ZINC000023125970 524533341 /nfs/dbraw/zinc/53/33/41/524533341.db2.gz ZOIYJTGMFVEDCQ-UHFFFAOYSA-N 0 0 438.440 2.551 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CCc2c(C)nc3nc(SC)nn3c2C)CC1 ZINC000012564227 524542708 /nfs/dbraw/zinc/54/27/08/524542708.db2.gz CBSCFFYPOLCHHT-UHFFFAOYSA-N 0 0 440.573 2.753 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CCn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000041252922 524545899 /nfs/dbraw/zinc/54/58/99/524545899.db2.gz FZGVDELRILUIOX-UHFFFAOYSA-N 0 0 436.487 2.797 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000024606950 524549076 /nfs/dbraw/zinc/54/90/76/524549076.db2.gz QOKAKKJAXOERSL-KRWDZBQOSA-N 0 0 449.598 2.506 50 0 IFAARN COc1ccccc1N1CCN(CC(=O)NCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000017283261 524553301 /nfs/dbraw/zinc/55/33/01/524553301.db2.gz MGUGHEUXQBGBPL-UHFFFAOYSA-N 0 0 430.936 2.534 50 0 IFAARN Cc1cccc(NC(=O)CCCSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 ZINC000035414292 524585112 /nfs/dbraw/zinc/58/51/12/524585112.db2.gz AIZHHOJNDTWDEY-UHFFFAOYSA-N 0 0 448.614 2.837 50 0 IFAARN COc1ccccc1NC(=O)CCc1c(C)nc2[nH]c(NCc3ccccc3)nn2c1=O ZINC000021803923 524589071 /nfs/dbraw/zinc/58/90/71/524589071.db2.gz PTYRSZSKYMMNEO-UHFFFAOYSA-N 0 0 432.484 2.918 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(S(C)(=O)=O)c2)c1C ZINC000021337070 524590892 /nfs/dbraw/zinc/59/08/92/524590892.db2.gz QNGXHJHHVLEXPW-IBGZPJMESA-N 0 0 444.553 2.967 50 0 IFAARN COc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(OC)c(OC)c3)cc2c1=O ZINC000012414493 524605929 /nfs/dbraw/zinc/60/59/29/524605929.db2.gz RUFYTMOLNWAXFN-UHFFFAOYSA-N 0 0 434.452 2.828 50 0 IFAARN COc1ccccc1NC(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 ZINC000021150460 524611615 /nfs/dbraw/zinc/61/16/15/524611615.db2.gz CPWNPOANVMPJRG-UHFFFAOYSA-N 0 0 427.896 2.674 50 0 IFAARN Cc1ccc(CNc2nc(N3CCN(C(=O)c4ccco4)CC3)nc3c2cnn3C)cc1 ZINC000021929562 524620016 /nfs/dbraw/zinc/62/00/16/524620016.db2.gz JLYSWTHOCMRHGP-UHFFFAOYSA-N 0 0 431.500 2.839 50 0 IFAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cn1 ZINC000012632361 524625596 /nfs/dbraw/zinc/62/55/96/524625596.db2.gz PUZWDDOVBCDPBB-HNNXBMFYSA-N 0 0 441.513 2.633 50 0 IFAARN COc1ccccc1Nc1nc(N)nc(COC(=O)CSCc2c(C)noc2C)n1 ZINC000021736168 524650767 /nfs/dbraw/zinc/65/07/67/524650767.db2.gz NGQCGEINHQMWCY-UHFFFAOYSA-N 0 0 430.490 2.787 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc2)C[C@H](C)O1 ZINC000012675919 524659757 /nfs/dbraw/zinc/65/97/57/524659757.db2.gz XZQCKNNXMIDCHX-IRXDYDNUSA-N 0 0 440.525 2.923 50 0 IFAARN COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)CSc2nc(C)cs2)C1 ZINC000012299140 524661562 /nfs/dbraw/zinc/66/15/62/524661562.db2.gz PTQHRMKMPFYVLW-INIZCTEOSA-N 0 0 449.598 2.986 50 0 IFAARN Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n(N)c2=O)cc1 ZINC000012348029 524695975 /nfs/dbraw/zinc/69/59/75/524695975.db2.gz IUGZCPGBPNBMLJ-UHFFFAOYSA-N 0 0 429.933 2.944 50 0 IFAARN Cc1cccc(OC2CCN(C(=O)[C@@H]3CCC(=O)N(CCCN4CCCC4=O)C3)CC2)c1 ZINC000012587623 524709449 /nfs/dbraw/zinc/70/94/49/524709449.db2.gz INCCOXJIIGHMNZ-HXUWFJFHSA-N 0 0 441.572 2.616 50 0 IFAARN Cc1cccc(OCC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c1 ZINC000012462852 524715426 /nfs/dbraw/zinc/71/54/26/524715426.db2.gz NYAAIMXAEFHHNC-UHFFFAOYSA-N 0 0 438.915 2.922 50 0 IFAARN C[C@@H]1CCc2c(sc3ncn(C[C@@H](O)COCc4ccc5c(c4)OCO5)c(=O)c32)C1 ZINC000012910280 524725989 /nfs/dbraw/zinc/72/59/89/524725989.db2.gz JXFGKSKJNKSNLU-UKRRQHHQSA-N 0 0 428.510 2.889 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1 ZINC000001115174 524729973 /nfs/dbraw/zinc/72/99/73/524729973.db2.gz TUVPNTQZSRFPDD-UHFFFAOYSA-N 0 0 439.940 2.902 50 0 IFAARN C[C@@H]1CCc2sc(C(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cc2C1 ZINC000012781371 524735042 /nfs/dbraw/zinc/73/50/42/524735042.db2.gz KAUJWLUFOYNNAC-BEFAXECRSA-N 0 0 426.538 2.997 50 0 IFAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)C1=O ZINC000015842784 524748676 /nfs/dbraw/zinc/74/86/76/524748676.db2.gz ASIZMWBUGBZPAJ-HNNXBMFYSA-N 0 0 447.944 2.615 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCC(C(=O)NCC(F)(F)F)CC3)[nH]n2)c1 ZINC000042383171 524789417 /nfs/dbraw/zinc/78/94/17/524789417.db2.gz OIEFILPLACKRDT-UHFFFAOYSA-N 0 0 440.422 2.625 50 0 IFAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)Cn2cncn2)C3)c1 ZINC000014995991 524791485 /nfs/dbraw/zinc/79/14/85/524791485.db2.gz WCRUKGLJMJPOSL-MRXNPFEDSA-N 0 0 428.876 2.736 50 0 IFAARN COc1ccc(OC)c(NC(=O)CCCn2cnc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000021155316 524847724 /nfs/dbraw/zinc/84/77/24/524847724.db2.gz LNADSRLJFPOSBJ-UHFFFAOYSA-N 0 0 446.529 2.723 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 ZINC000012561445 524848378 /nfs/dbraw/zinc/84/83/78/524848378.db2.gz JWYZAJPPIAIKAF-QFIPXVFZSA-N 0 0 439.512 2.922 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c1 ZINC000012237686 524855308 /nfs/dbraw/zinc/85/53/08/524855308.db2.gz GPSVTFAEWSTJLV-UHFFFAOYSA-N 0 0 439.859 2.892 50 0 IFAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC(C)(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000035531380 524869919 /nfs/dbraw/zinc/86/99/19/524869919.db2.gz UAIZJVGYTFYTBG-UHFFFAOYSA-N 0 0 448.516 2.970 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3nc4ccc(C)cc4o3)CC2)c1 ZINC000021020770 524876479 /nfs/dbraw/zinc/87/64/79/524876479.db2.gz USYICHJAVMPCNM-UHFFFAOYSA-N 0 0 431.514 2.660 50 0 IFAARN Cc1cc(Cl)ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012821580 524902533 /nfs/dbraw/zinc/90/25/33/524902533.db2.gz VGSNIBDWIAUVFT-UHFFFAOYSA-N 0 0 444.887 2.839 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCN(c3ccc(Cl)nn3)CC2)c1 ZINC000012919142 524912585 /nfs/dbraw/zinc/91/25/85/524912585.db2.gz SRINLAOEJMBHKR-GOSISDBHSA-N 0 0 445.951 2.633 50 0 IFAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCCC2)cc1C ZINC000020928121 524920220 /nfs/dbraw/zinc/92/02/20/524920220.db2.gz HWESIFAMRYDOQW-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN COc1ccc(OC[C@@H](O)CN2CCN(CCc3ccccn3)CC2)c(C(C)(C)C)c1 ZINC000022036408 524968942 /nfs/dbraw/zinc/96/89/42/524968942.db2.gz LPXORTHSAYOOQS-NRFANRHFSA-N 0 0 427.589 2.988 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2=O)cc1F ZINC000012919502 524979915 /nfs/dbraw/zinc/97/99/15/524979915.db2.gz VHLMGWIXUUURSM-FQEVSTJZSA-N 0 0 425.504 2.636 50 0 IFAARN C[C@H]1Cc2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)ccc2N1S(C)(=O)=O ZINC000012774757 524980600 /nfs/dbraw/zinc/98/06/00/524980600.db2.gz HBAKJXLRVXHLJA-NSHDSACASA-N 0 0 433.555 2.689 50 0 IFAARN Cc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC(=O)c2ccccc2)c4=O)cc1 ZINC000012289050 524981315 /nfs/dbraw/zinc/98/13/15/524981315.db2.gz DSWULZXTPNAZAA-QGZVFWFLSA-N 0 0 443.507 2.876 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc2N1C(=O)C1CC1 ZINC000020516851 524981534 /nfs/dbraw/zinc/98/15/34/524981534.db2.gz QQKGJBHLVBPTSH-SFHVURJKSA-N 0 0 439.581 2.881 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccn3)cc2)cc1OC ZINC000015919272 525004876 /nfs/dbraw/zinc/00/48/76/525004876.db2.gz RGPZQDGUZYOPRU-UHFFFAOYSA-N 0 0 441.509 2.854 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000014375034 525024952 /nfs/dbraw/zinc/02/49/52/525024952.db2.gz XXAVXDKXDFVHRR-UHFFFAOYSA-N 0 0 441.509 2.964 50 0 IFAARN Cc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c(Br)c1 ZINC000012817869 525038199 /nfs/dbraw/zinc/03/81/99/525038199.db2.gz MLQMQISNZXNKPT-UHFFFAOYSA-N 0 0 435.322 2.557 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1C(C)C ZINC000012697186 525040589 /nfs/dbraw/zinc/04/05/89/525040589.db2.gz LYTHXDBATOJVJY-UHFFFAOYSA-N 0 0 448.541 2.857 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)CCc2ccc(-c3ccccc3F)o2)C[C@H](C)O1 ZINC000040089328 525041939 /nfs/dbraw/zinc/04/19/39/525041939.db2.gz FQJFHCLXHLFVGR-IYBDPMFKSA-N 0 0 438.521 2.574 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)cc1C ZINC000035452696 525044853 /nfs/dbraw/zinc/04/48/53/525044853.db2.gz XAZAODXYKJRIIY-HNNXBMFYSA-N 0 0 431.514 2.590 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)c(C)c1 ZINC000035452655 525044958 /nfs/dbraw/zinc/04/49/58/525044958.db2.gz OGXJMUHFRLLSIG-HNNXBMFYSA-N 0 0 431.514 2.590 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1N(C)C ZINC000021881115 525046516 /nfs/dbraw/zinc/04/65/16/525046516.db2.gz VTSMRDMCULQMQT-UHFFFAOYSA-N 0 0 444.557 2.595 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCC4)cc32)cc1 ZINC000021050259 525047961 /nfs/dbraw/zinc/04/79/61/525047961.db2.gz QFOAZWJXVJVHEY-UHFFFAOYSA-N 0 0 445.566 2.857 50 0 IFAARN COc1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccccc3)CC2)cc1OC ZINC000035536775 525056947 /nfs/dbraw/zinc/05/69/47/525056947.db2.gz KQLOUCIXTHYFNV-UHFFFAOYSA-N 0 0 432.542 2.925 50 0 IFAARN Cc1ccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N(C)C ZINC000012880903 525063320 /nfs/dbraw/zinc/06/33/20/525063320.db2.gz DJQLHEHYOSXHII-UHFFFAOYSA-N 0 0 444.340 2.921 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)NC[C@H](O)c3ccccc3)cc2)cc1 ZINC000012407984 525065876 /nfs/dbraw/zinc/06/58/76/525065876.db2.gz KSVDHVREGUNXND-QFIPXVFZSA-N 0 0 440.521 2.637 50 0 IFAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc3c(c2)OCO3)c2ccco2)cc1 ZINC000016954371 525093324 /nfs/dbraw/zinc/09/33/24/525093324.db2.gz ACNRBVFQFBPROT-HXUWFJFHSA-N 0 0 429.450 2.962 50 0 IFAARN COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCN(C)CC2)cc1 ZINC000021158521 525094817 /nfs/dbraw/zinc/09/48/17/525094817.db2.gz OORQZIPFNWYUMF-UHFFFAOYSA-N 0 0 427.526 2.837 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1ccc(-c2csc(C)n2)cc1 ZINC000012621468 525097225 /nfs/dbraw/zinc/09/72/25/525097225.db2.gz FYKZPDFQPQJFOJ-UHFFFAOYSA-N 0 0 431.539 2.747 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)c1cccc2ccccc21 ZINC000022803264 525107357 /nfs/dbraw/zinc/10/73/57/525107357.db2.gz KNGDKGYTXXTUIY-OAQYLSRUSA-N 0 0 444.579 2.951 50 0 IFAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000012771512 525126097 /nfs/dbraw/zinc/12/60/97/525126097.db2.gz OTYKCKLWVIWIIV-SFHVURJKSA-N 0 0 438.528 2.521 50 0 IFAARN CS(=O)(=O)N1CCc2cc(C(=O)O[C@@H](C(=O)N3CCCCC3)c3ccccc3)ccc21 ZINC000017956798 525185999 /nfs/dbraw/zinc/18/59/99/525185999.db2.gz QXQKPPKQCARSLF-OAQYLSRUSA-N 0 0 442.537 2.919 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000015987202 525190227 /nfs/dbraw/zinc/19/02/27/525190227.db2.gz RRFOGARRRPVIML-GOSISDBHSA-N 0 0 443.569 2.848 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012772597 525198724 /nfs/dbraw/zinc/19/87/24/525198724.db2.gz HVGUTRZSAYWDSM-LJQANCHMSA-N 0 0 430.526 2.527 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1C ZINC000035220056 525203714 /nfs/dbraw/zinc/20/37/14/525203714.db2.gz AHCYLTLRBWYDOL-KXBFYZLASA-N 0 0 443.525 2.815 50 0 IFAARN COc1ccc([C@@H]([C@@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC ZINC000020191923 525210963 /nfs/dbraw/zinc/21/09/63/525210963.db2.gz AUNVLATUOFSGJT-VXKWHMMOSA-N 0 0 446.569 2.722 50 0 IFAARN CS(=O)(=O)Nc1cc(NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)ccc1F ZINC000012820931 525214998 /nfs/dbraw/zinc/21/49/98/525214998.db2.gz MSNDYYUCBOAEAL-UHFFFAOYSA-N 0 0 432.433 2.611 50 0 IFAARN C[C@H](NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)c1cccs1 ZINC000012431238 525219660 /nfs/dbraw/zinc/21/96/60/525219660.db2.gz SAMUJTHMMAAGFT-HNNXBMFYSA-N 0 0 437.587 2.889 50 0 IFAARN Cc1ccccc1N1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020928076 525221247 /nfs/dbraw/zinc/22/12/47/525221247.db2.gz WVIZIOPBSNYTBE-QFIPXVFZSA-N 0 0 435.590 2.591 50 0 IFAARN Cc1cc(NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2-c2cccc(C)c2)no1 ZINC000012522038 525229132 /nfs/dbraw/zinc/22/91/32/525229132.db2.gz LWNYVHKKPHGSCW-HNNXBMFYSA-N 0 0 428.518 2.828 50 0 IFAARN C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc3C2)n1C ZINC000013567151 525237235 /nfs/dbraw/zinc/23/72/35/525237235.db2.gz XMVHLRAUQGFUMN-INIZCTEOSA-N 0 0 435.553 2.983 50 0 IFAARN Cc1ccccc1NC(=O)CN1c2ccc(S(=O)(=O)N3CCCC3)cc2CCC1=O ZINC000035560278 525239260 /nfs/dbraw/zinc/23/92/60/525239260.db2.gz SBUPRVYZJRTEGQ-UHFFFAOYSA-N 0 0 427.526 2.697 50 0 IFAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)/C=C\c2cnc3ccccc3n2)c1 ZINC000033510042 525248399 /nfs/dbraw/zinc/24/83/99/525248399.db2.gz PDMWXKRHYCUUNX-TWGQIWQCSA-N 0 0 445.884 2.882 50 0 IFAARN Cc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)C1 ZINC000033021512 525257628 /nfs/dbraw/zinc/25/76/28/525257628.db2.gz UQILGDBNCMATNM-JKSUJKDBSA-N 0 0 443.525 2.754 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)sc2c1 ZINC000020745344 525266599 /nfs/dbraw/zinc/26/65/99/525266599.db2.gz RZUGBLOGCXSOME-LLVKDONJSA-N 0 0 433.486 2.831 50 0 IFAARN Cc1ccc(NCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c(Br)c1 ZINC000021390945 525274152 /nfs/dbraw/zinc/27/41/52/525274152.db2.gz FLESKRVFZZAFJL-UHFFFAOYSA-N 0 0 440.363 2.736 50 0 IFAARN Cc1ccccc1Nc1nnc(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)s1 ZINC000012554763 525275970 /nfs/dbraw/zinc/27/59/70/525275970.db2.gz UEWUABKYOBNYGE-UHFFFAOYSA-N 0 0 445.570 2.870 50 0 IFAARN C[C@@H](NC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000012763548 525282215 /nfs/dbraw/zinc/28/22/15/525282215.db2.gz CXNVEUFVUIBBAL-MSOLQXFVSA-N 0 0 433.549 2.788 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCN3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000022612349 525304466 /nfs/dbraw/zinc/30/44/66/525304466.db2.gz KATQBGIUSQRNRM-ROUUACIJSA-N 0 0 431.558 2.635 50 0 IFAARN COc1ccc([C@H](CNC(=O)c2cccc(CN3CCCC3=O)c2)N2CCOCC2)cc1 ZINC000012904849 525358442 /nfs/dbraw/zinc/35/84/42/525358442.db2.gz OUHRCZVBFBEDFZ-QHCPKHFHSA-N 0 0 437.540 2.621 50 0 IFAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000012891481 525445167 /nfs/dbraw/zinc/44/51/67/525445167.db2.gz CRUBHWHWHVOCBA-IBGZPJMESA-N 0 0 437.374 3.000 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCc1ccccc1F ZINC000018123202 525506002 /nfs/dbraw/zinc/50/60/02/525506002.db2.gz LHRIXLMTGLSHII-LBPRGKRZSA-N 0 0 429.311 2.614 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1ccccc1 ZINC000033129150 525509136 /nfs/dbraw/zinc/50/91/36/525509136.db2.gz SGORUTNUALQKSQ-INIZCTEOSA-N 0 0 442.541 2.570 50 0 IFAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCOCC1)C2=O ZINC000012522357 525513435 /nfs/dbraw/zinc/51/34/35/525513435.db2.gz ZYOVSNUSTOTFLU-QMHKHESXSA-N 0 0 428.533 2.599 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000023681102 525527337 /nfs/dbraw/zinc/52/73/37/525527337.db2.gz QXDGBTLUKVWMQR-FXAWDEMLSA-N 0 0 437.587 2.562 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000021116831 525527919 /nfs/dbraw/zinc/52/79/19/525527919.db2.gz VXMZSVQVNIMMMQ-CQSZACIVSA-N 0 0 426.498 2.601 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(Cl)cc1C ZINC000012801165 525547813 /nfs/dbraw/zinc/54/78/13/525547813.db2.gz JTOUFUAALSFYCU-UHFFFAOYSA-N 0 0 438.933 2.995 50 0 IFAARN CSCC[C@@H](NC(=O)CSc1nc2ccccc2c(=O)[nH]1)c1nnc2ccccn21 ZINC000020722027 525548188 /nfs/dbraw/zinc/54/81/88/525548188.db2.gz SGLUXQHXILKPDT-OAHLLOKOSA-N 0 0 440.554 2.669 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCCc1ccccc1 ZINC000024747431 525549010 /nfs/dbraw/zinc/54/90/10/525549010.db2.gz SKVOCSPBBWZLQP-UHFFFAOYSA-N 0 0 434.583 2.930 50 0 IFAARN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000020977216 525550742 /nfs/dbraw/zinc/55/07/42/525550742.db2.gz URQFQQWHOMEUDO-MRXNPFEDSA-N 0 0 431.539 2.659 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000032986063 525553718 /nfs/dbraw/zinc/55/37/18/525553718.db2.gz TXBXCDHDPXFSTR-QGZVFWFLSA-N 0 0 425.982 2.518 50 0 IFAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cncc(Br)c3)CC2)cc1 ZINC000035512810 525564144 /nfs/dbraw/zinc/56/41/44/525564144.db2.gz URFOSSAQXFMWIE-UHFFFAOYSA-N 0 0 438.347 2.736 50 0 IFAARN Cc1c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000012916764 525570576 /nfs/dbraw/zinc/57/05/76/525570576.db2.gz KTABXAUMWWYWOL-UHFFFAOYSA-N 0 0 436.537 2.747 50 0 IFAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cnn1-c1ccc(C)cc1 ZINC000012824130 525581215 /nfs/dbraw/zinc/58/12/15/525581215.db2.gz QJUIBGQJGYSNEK-UHFFFAOYSA-N 0 0 442.516 2.775 50 0 IFAARN Cc1c(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000012886286 525583362 /nfs/dbraw/zinc/58/33/62/525583362.db2.gz KGEAEQZEWHGABO-UHFFFAOYSA-N 0 0 428.577 2.639 50 0 IFAARN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000014933282 525591721 /nfs/dbraw/zinc/59/17/21/525591721.db2.gz LIVFLXICHJOTLK-IBGZPJMESA-N 0 0 438.553 2.742 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC(C)(C)N1CCOCC1 ZINC000012796501 525605220 /nfs/dbraw/zinc/60/52/20/525605220.db2.gz HSERZMXECVFNJI-UHFFFAOYSA-N 0 0 449.548 2.776 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)NC1CCCCCCC1)O[C@@H](C)C(=O)N2 ZINC000035452523 525611343 /nfs/dbraw/zinc/61/13/43/525611343.db2.gz DXCJNVPSFINPCD-HNNXBMFYSA-N 0 0 437.562 2.564 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc3ccccc3)C1)O[C@H](C)C(=O)N2 ZINC000035379209 525613636 /nfs/dbraw/zinc/61/36/36/525613636.db2.gz ALXATKYVVOZKMK-HZPDHXFCSA-N 0 0 443.525 2.754 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCCCCC3)C1)O[C@H](C)C(=O)N2 ZINC000035379087 525613936 /nfs/dbraw/zinc/61/39/36/525613936.db2.gz MMUQZZLQQOIEGJ-IAGOWNOFSA-N 0 0 449.573 2.518 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccco2)cc1 ZINC000017043186 525630083 /nfs/dbraw/zinc/63/00/83/525630083.db2.gz NNSHLTSHGAWYKZ-HXUWFJFHSA-N 0 0 444.484 2.675 50 0 IFAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1C ZINC000017100721 525675198 /nfs/dbraw/zinc/67/51/98/525675198.db2.gz MSSTVJMXXLIHGK-UHFFFAOYSA-N 0 0 436.599 2.924 50 0 IFAARN COc1cccc(-c2cn3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)csc3n2)c1 ZINC000011902305 525716685 /nfs/dbraw/zinc/71/66/85/525716685.db2.gz XBZAWBPYSVBGRL-UHFFFAOYSA-N 0 0 428.495 2.971 50 0 IFAARN COc1cccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C[C@H]2CCCO2)c1 ZINC000012525346 525727447 /nfs/dbraw/zinc/72/74/47/525727447.db2.gz CAZUEYYYNSYJAS-LJQANCHMSA-N 0 0 432.480 2.789 50 0 IFAARN COc1cccc(-n2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3c2=O)c1 ZINC000020904520 525751692 /nfs/dbraw/zinc/75/16/92/525751692.db2.gz BKRGDAMHXKEYDI-UHFFFAOYSA-N 0 0 449.488 2.899 50 0 IFAARN COc1cccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000015780643 525797940 /nfs/dbraw/zinc/79/79/40/525797940.db2.gz IKCJTAVORPVQTM-UHFFFAOYSA-N 0 0 448.516 2.796 50 0 IFAARN C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1c(F)cccc1Cl ZINC000012623301 525830242 /nfs/dbraw/zinc/83/02/42/525830242.db2.gz TXONSEISCRLNRH-MGPLVRAMSA-N 0 0 436.288 2.904 50 0 IFAARN C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1c(F)cccc1Cl ZINC000012623298 525848808 /nfs/dbraw/zinc/84/88/08/525848808.db2.gz TXONSEISCRLNRH-QLJPJBMISA-N 0 0 436.288 2.904 50 0 IFAARN Cc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](C)n4c5ccccc5oc4=O)CC3)n2)cc1 ZINC000012770695 525877035 /nfs/dbraw/zinc/87/70/35/525877035.db2.gz JUKXCEGHOAKNBX-QGZVFWFLSA-N 0 0 447.495 2.858 50 0 IFAARN Cc1ccc(-c2noc(CN3CCN(C(=O)[C@H](C)n4c5ccccc5oc4=O)CC3)n2)cc1 ZINC000012770690 525877673 /nfs/dbraw/zinc/87/76/73/525877673.db2.gz JUKXCEGHOAKNBX-KRWDZBQOSA-N 0 0 447.495 2.858 50 0 IFAARN Cc1c(O[C@@H](C)C(=O)NCCN2CCOCC2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000020546462 525883329 /nfs/dbraw/zinc/88/33/29/525883329.db2.gz GWFXOVOEHOWTHY-SFHVURJKSA-N 0 0 436.508 2.984 50 0 IFAARN C[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000015643885 525888868 /nfs/dbraw/zinc/88/88/68/525888868.db2.gz QLYZWTNNXWUTMB-SNVBAGLBSA-N 0 0 447.296 2.590 50 0 IFAARN Cc1ccc([C@H](C)NC(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1C ZINC000022916789 525888909 /nfs/dbraw/zinc/88/89/09/525888909.db2.gz ZXZXWRFHNPOLIX-KNKQGSTJSA-N 0 0 428.621 2.603 50 0 IFAARN C[C@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1)C(=O)NC(=O)NC(C)(C)C ZINC000012862729 525892133 /nfs/dbraw/zinc/89/21/33/525892133.db2.gz WOJQRVGZYQNIOG-AWEZNQCLSA-N 0 0 442.516 2.683 50 0 IFAARN COc1cccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)c1 ZINC000012458337 525894252 /nfs/dbraw/zinc/89/42/52/525894252.db2.gz HQPMWOAZEGWEKF-DEOSSOPVSA-N 0 0 431.536 2.898 50 0 IFAARN COc1cccc(CCNC(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)c1 ZINC000012442902 525894642 /nfs/dbraw/zinc/89/46/42/525894642.db2.gz UDWZXRUMARFMDM-UHFFFAOYSA-N 0 0 425.485 2.978 50 0 IFAARN COc1cccc(CN(C[C@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012388837 525922957 /nfs/dbraw/zinc/92/29/57/525922957.db2.gz CHLXXYQDTALRRI-MOPGFXCFSA-N 0 0 439.961 2.778 50 0 IFAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012617783 525925781 /nfs/dbraw/zinc/92/57/81/525925781.db2.gz GAQJLAWXAWDHER-CQSZACIVSA-N 0 0 432.933 2.521 50 0 IFAARN C[C@H](C(=O)N(C)C1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000034858838 525929349 /nfs/dbraw/zinc/92/93/49/525929349.db2.gz DKWIUCZORBAHQU-MRXNPFEDSA-N 0 0 427.998 2.826 50 0 IFAARN Cc1ccc(-n2nc(O[C@H](C)C(=O)N3CCN(c4ccccc4)CC3)ccc2=O)cc1C ZINC000033125271 525929887 /nfs/dbraw/zinc/92/98/87/525929887.db2.gz IHVPERJODFMXAH-HXUWFJFHSA-N 0 0 432.524 2.965 50 0 IFAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)NCc2ccc4c(c2)OCO4)nc3C)cc1C ZINC000012228809 525931710 /nfs/dbraw/zinc/93/17/10/525931710.db2.gz ORJQWORDWQQWEL-UHFFFAOYSA-N 0 0 445.479 2.553 50 0 IFAARN Cc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c3=O)cc1 ZINC000017052344 525933771 /nfs/dbraw/zinc/93/37/71/525933771.db2.gz UWEMPOHKDIQNHD-UHFFFAOYSA-N 0 0 428.374 2.943 50 0 IFAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCC(C(=O)N3CCOCC3)CC1)nnc2C ZINC000020564361 525935405 /nfs/dbraw/zinc/93/54/05/525935405.db2.gz VPMCSMXDKMDGPT-UHFFFAOYSA-N 0 0 434.544 2.816 50 0 IFAARN Cc1cn2c(nc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c2=O)s1 ZINC000020921798 525938585 /nfs/dbraw/zinc/93/85/85/525938585.db2.gz ROELAXFVUUMDKB-AWEZNQCLSA-N 0 0 432.571 2.581 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)n1-c1ccc(O)cc1 ZINC000012574996 525943949 /nfs/dbraw/zinc/94/39/49/525943949.db2.gz UOAGJTZSOYSRRL-RMKNXTFCSA-N 0 0 427.464 2.866 50 0 IFAARN C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2 ZINC000023139383 525951532 /nfs/dbraw/zinc/95/15/32/525951532.db2.gz PEBNNLVMPKLGFD-CQSZACIVSA-N 0 0 426.498 2.945 50 0 IFAARN C[C@H](C(=O)N1CCCCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000035269337 525965883 /nfs/dbraw/zinc/96/58/83/525965883.db2.gz IRIUYGKIDWGNPF-LJQANCHMSA-N 0 0 429.586 2.937 50 0 IFAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)Cn3nc4ccccc4n3)C2)c1 ZINC000012747961 525967220 /nfs/dbraw/zinc/96/72/20/525967220.db2.gz FUEDZLJVWQIXAB-GOSISDBHSA-N 0 0 435.528 2.775 50 0 IFAARN COc1cccc(CNC(=O)CSc2ccc(S(=O)(=O)c3ccccc3)nn2)c1 ZINC000033298308 525971786 /nfs/dbraw/zinc/97/17/86/525971786.db2.gz WVVOFCVCOVMXQU-UHFFFAOYSA-N 0 0 429.523 2.727 50 0 IFAARN C[C@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)NCc1ccco1 ZINC000012865685 526014082 /nfs/dbraw/zinc/01/40/82/526014082.db2.gz GCJLROKAPVQUCH-INIZCTEOSA-N 0 0 427.530 2.553 50 0 IFAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCc3c(C)nc4ncnn4c3C)c2C)no1 ZINC000021476730 526070379 /nfs/dbraw/zinc/07/03/79/526070379.db2.gz BBAOIBVMZAPUNV-UHFFFAOYSA-N 0 0 436.472 2.804 50 0 IFAARN Cc1ccc(C(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C(=O)C3=O)CC2)cc1F ZINC000035376594 526083886 /nfs/dbraw/zinc/08/38/86/526083886.db2.gz SNQNYUHEFYABIN-UHFFFAOYSA-N 0 0 441.478 2.749 50 0 IFAARN CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)c1 ZINC000035452728 526112240 /nfs/dbraw/zinc/11/22/40/526112240.db2.gz KTGLGTOIUKITHP-ZDUSSCGKSA-N 0 0 449.554 2.696 50 0 IFAARN Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)NC[C@H]3CCCO3)c2n1 ZINC000020579745 526116016 /nfs/dbraw/zinc/11/60/16/526116016.db2.gz GYEPAHDFOPVSJF-QGZVFWFLSA-N 0 0 439.899 2.885 50 0 IFAARN C[C@H](C(=O)Nc1c(F)cccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012887119 526127160 /nfs/dbraw/zinc/12/71/60/526127160.db2.gz VDQDXBBARHBDTC-OAHLLOKOSA-N 0 0 449.523 2.787 50 0 IFAARN COc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(C)(=O)=O)c1 ZINC000009667920 526136297 /nfs/dbraw/zinc/13/62/97/526136297.db2.gz ICDXZUHEBCMLSY-UHFFFAOYSA-N 0 0 445.541 2.726 50 0 IFAARN COc1cccc(N2CCN(C(=O)CCCn3nc(C)n4c5ccoc5cc4c3=O)CC2)c1 ZINC000020866246 526145666 /nfs/dbraw/zinc/14/56/66/526145666.db2.gz FQQNBXSTORYUAH-UHFFFAOYSA-N 0 0 449.511 2.688 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000012758386 526166679 /nfs/dbraw/zinc/16/66/79/526166679.db2.gz ZYYBYDYDYSDDDH-UHFFFAOYSA-N 0 0 445.317 2.508 50 0 IFAARN Cc1cnc2c(cccc2S(=O)(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012589448 526169513 /nfs/dbraw/zinc/16/95/13/526169513.db2.gz IYKIJUXVMKGEGH-MRXNPFEDSA-N 0 0 436.580 2.983 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000012922335 526169815 /nfs/dbraw/zinc/16/98/15/526169815.db2.gz DMIBGODQRNGEPU-INIZCTEOSA-N 0 0 432.274 2.602 50 0 IFAARN Cc1ccc2c(c1)N[C@@H](C(=O)Nc1ccc(NC(=O)c3ccco3)cc1)NS2(=O)=O ZINC000012414562 526172048 /nfs/dbraw/zinc/17/20/48/526172048.db2.gz FOJXCRVKEBYSJI-GOSISDBHSA-N 0 0 426.454 2.509 50 0 IFAARN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012903086 526174063 /nfs/dbraw/zinc/17/40/63/526174063.db2.gz ABIRAGHRUOIQKW-AWEZNQCLSA-N 0 0 432.933 2.644 50 0 IFAARN Cc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000012751308 526204988 /nfs/dbraw/zinc/20/49/88/526204988.db2.gz HUEQPWNVNWVUIM-GOSISDBHSA-N 0 0 432.567 2.983 50 0 IFAARN Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1C[C@@H]1CCCO1 ZINC000012638066 526212081 /nfs/dbraw/zinc/21/20/81/526212081.db2.gz FOXBHDGVQKGIBE-SFHVURJKSA-N 0 0 448.541 2.574 50 0 IFAARN CSc1ncccc1C(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012935584 526223014 /nfs/dbraw/zinc/22/30/14/526223014.db2.gz OFFOIHSGRQFNDV-UHFFFAOYSA-N 0 0 439.541 2.587 50 0 IFAARN Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)cc1NS(C)(=O)=O ZINC000012520984 526229294 /nfs/dbraw/zinc/22/92/94/526229294.db2.gz AIPPYGIEJPYGMP-OKILXGFUSA-N 0 0 438.575 2.685 50 0 IFAARN CSc1nsc(SCC(=O)Oc2ccc(C[C@H](NC(C)=O)C(C)=O)cc2)n1 ZINC000012364003 526234422 /nfs/dbraw/zinc/23/44/22/526234422.db2.gz JPIXTMLIQJKDAX-AWEZNQCLSA-N 0 0 425.557 2.594 50 0 IFAARN Cc1ccc(C(=O)c2ccccc2C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 ZINC000012773417 526241530 /nfs/dbraw/zinc/24/15/30/526241530.db2.gz CHZZZOAKGLKTDC-UHFFFAOYSA-N 0 0 440.507 2.865 50 0 IFAARN Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3c(F)cccc3Cl)c(=O)n(C)c2n1 ZINC000012445561 526242838 /nfs/dbraw/zinc/24/28/38/526242838.db2.gz RMUBCFSTDOSXMP-UHFFFAOYSA-N 0 0 444.894 2.871 50 0 IFAARN C[C@H](CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995687 526243282 /nfs/dbraw/zinc/24/32/82/526243282.db2.gz RXYSEPARXRYISR-MRXNPFEDSA-N 0 0 426.538 2.854 50 0 IFAARN O=C(NCCCOc1ccccc1F)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012866831 526268302 /nfs/dbraw/zinc/26/83/02/526268302.db2.gz MXZRWNFRCODRPZ-UHFFFAOYSA-N 0 0 438.496 2.951 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012915529 526271257 /nfs/dbraw/zinc/27/12/57/526271257.db2.gz VIIIGYXSRIIOTF-UHFFFAOYSA-N 0 0 432.590 2.622 50 0 IFAARN Cc1nn(CCC(=O)N2CC[C@@H](c3ccccc3)C2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029213 526277232 /nfs/dbraw/zinc/27/72/32/526277232.db2.gz IQWBKJDDCVYORT-HXUWFJFHSA-N 0 0 430.574 2.691 50 0 IFAARN Cc1nn(CCC(=O)NCCc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021028645 526278346 /nfs/dbraw/zinc/27/83/46/526278346.db2.gz LEVHKYAETHIXBU-UHFFFAOYSA-N 0 0 438.981 2.687 50 0 IFAARN Cc1nn(CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c2cc3occc3n21 ZINC000020866333 526278845 /nfs/dbraw/zinc/27/88/45/526278845.db2.gz ZMOPWTLUTFDIDZ-UHFFFAOYSA-N 0 0 437.475 2.819 50 0 IFAARN O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000022490668 526282379 /nfs/dbraw/zinc/28/23/79/526282379.db2.gz NDZMFOJXQQMEIY-LJQANCHMSA-N 0 0 430.505 2.604 50 0 IFAARN Cc1nn([C@H](C)C(=O)NCc2cccs2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000012907030 526305355 /nfs/dbraw/zinc/30/53/55/526305355.db2.gz BWTWMJIIHPJTDF-OAHLLOKOSA-N 0 0 436.559 2.853 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057286401 526306911 /nfs/dbraw/zinc/30/69/11/526306911.db2.gz NCMVDKAWGQTRRX-UNMCSNQZSA-N 0 0 444.601 2.655 50 0 IFAARN O=C(NCCN1CCOCC1)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1 ZINC000035181062 526319817 /nfs/dbraw/zinc/31/98/17/526319817.db2.gz UZTGIJQUVTYSJK-UHFFFAOYSA-N 0 0 440.519 2.720 50 0 IFAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000030209305 526325378 /nfs/dbraw/zinc/32/53/78/526325378.db2.gz MIHBQVJVJKSCQR-UHFFFAOYSA-N 0 0 427.570 2.693 50 0 IFAARN Cc1nnc(CCNC(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)[nH]1 ZINC000012586011 526327491 /nfs/dbraw/zinc/32/74/91/526327491.db2.gz ZSPBSCZSGFJUCM-UHFFFAOYSA-N 0 0 431.544 2.634 50 0 IFAARN O=C(NCCNC(=O)c1ccc2c(c1)OCO2)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012374746 526331012 /nfs/dbraw/zinc/33/10/12/526331012.db2.gz CZRQLEXQWGMKMT-UHFFFAOYSA-N 0 0 448.357 2.644 50 0 IFAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccc(-n2cnnn2)cc1 ZINC000016044349 526432887 /nfs/dbraw/zinc/43/28/87/526432887.db2.gz HYVXEOBVECVSQM-UHFFFAOYSA-N 0 0 426.436 2.830 50 0 IFAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1cccc(-n2cnnn2)c1 ZINC000024016020 526433046 /nfs/dbraw/zinc/43/30/46/526433046.db2.gz QBEONKUDFBBLKF-UHFFFAOYSA-N 0 0 426.436 2.830 50 0 IFAARN O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)NCCCN1CCOCC1 ZINC000020993542 526434234 /nfs/dbraw/zinc/43/42/34/526434234.db2.gz WQDIHCMCCBUZTR-UHFFFAOYSA-N 0 0 440.569 2.812 50 0 IFAARN O=C(Oc1cccc2ccccc21)N1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]2C1 ZINC000014741992 526445754 /nfs/dbraw/zinc/44/57/54/526445754.db2.gz WNKHUGMNQDMUBU-LEWJYISDSA-N 0 0 429.476 2.593 50 0 IFAARN O=C(NCCc1cn2ccccc2n1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000012576956 526450745 /nfs/dbraw/zinc/45/07/45/526450745.db2.gz IHZIWBSWXMXXMJ-CQSZACIVSA-N 0 0 427.302 2.809 50 0 IFAARN O=C(CCCc1c[nH]c2ccccc12)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000023731800 526453698 /nfs/dbraw/zinc/45/36/98/526453698.db2.gz SJUGIHMWHFKYAH-UHFFFAOYSA-N 0 0 435.553 2.904 50 0 IFAARN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)CCn2cncn2)CC1 ZINC000012199783 526459336 /nfs/dbraw/zinc/45/93/36/526459336.db2.gz HWEQJFAUOBFKMV-UHFFFAOYSA-N 0 0 435.532 2.690 50 0 IFAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021351895 526493610 /nfs/dbraw/zinc/49/36/10/526493610.db2.gz VSHKUWUUGVYCQF-KRWDZBQOSA-N 0 0 441.509 2.978 50 0 IFAARN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012783380 526493605 /nfs/dbraw/zinc/49/36/05/526493605.db2.gz BPEFGSDAHBUMDN-HNNXBMFYSA-N 0 0 438.908 2.563 50 0 IFAARN Cc1n[nH]c(C)c1CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 ZINC000012386218 526494152 /nfs/dbraw/zinc/49/41/52/526494152.db2.gz FSRCIPLTTQRCQC-HSZRJFAPSA-N 0 0 433.556 2.571 50 0 IFAARN O=C(CCNC(=O)Nc1ccccc1)OCc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000012795698 526501308 /nfs/dbraw/zinc/50/13/08/526501308.db2.gz KSIJXCOTUPHFHN-UHFFFAOYSA-N 0 0 426.498 2.890 50 0 IFAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000021663130 526503649 /nfs/dbraw/zinc/50/36/49/526503649.db2.gz CLRPTQXGQGIXJD-CQSZACIVSA-N 0 0 446.558 2.699 50 0 IFAARN O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000021209149 526513416 /nfs/dbraw/zinc/51/34/16/526513416.db2.gz HKBWFARNDQRPAI-UHFFFAOYSA-N 0 0 448.526 2.970 50 0 IFAARN O=C(CCOc1ccccc1)Nc1cnn(CC(=O)NC[C@H]2OCCc3ccccc32)c1 ZINC000014992416 526532765 /nfs/dbraw/zinc/53/27/65/526532765.db2.gz XIBSEHYPWBVMDS-JOCHJYFZSA-N 0 0 434.496 2.721 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012904778 526553034 /nfs/dbraw/zinc/55/30/34/526553034.db2.gz FRCZKVYGJUCCNW-HNNXBMFYSA-N 0 0 448.570 2.976 50 0 IFAARN O=C(CC[C@@H]1CCCN(C(=O)COc2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000012578148 526554223 /nfs/dbraw/zinc/55/42/23/526554223.db2.gz VTIRNIYICUEDBU-NRFANRHFSA-N 0 0 436.556 2.828 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccc(Cl)cc3)c(C)s2)no1 ZINC000033263950 526562371 /nfs/dbraw/zinc/56/23/71/526562371.db2.gz WVODENBYRNVRIW-UHFFFAOYSA-N 0 0 440.934 2.663 50 0 IFAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)N1CCN(c2ccccc2Cl)CC1 ZINC000035598221 526574932 /nfs/dbraw/zinc/57/49/32/526574932.db2.gz OWASPUKJADRXDJ-GOSISDBHSA-N 0 0 426.904 2.520 50 0 IFAARN O=C(c1cc(-c2ccccn2)n[nH]1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000033267501 526593089 /nfs/dbraw/zinc/59/30/89/526593089.db2.gz QNBBKKBOACWGBN-UHFFFAOYSA-N 0 0 440.301 2.832 50 0 IFAARN O=C(c1cc(C2CC2)on1)N1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000012112345 526602442 /nfs/dbraw/zinc/60/24/42/526602442.db2.gz KQEBPKDNATVFHZ-UHFFFAOYSA-N 0 0 425.485 2.708 50 0 IFAARN O=C(CCc1cccs1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000013113252 526623336 /nfs/dbraw/zinc/62/33/36/526623336.db2.gz SLGIXSMFNHGJRZ-UHFFFAOYSA-N 0 0 443.388 2.976 50 0 IFAARN O=C(c1ccc(CN2c3ccnn3CCC2=O)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020938138 526669192 /nfs/dbraw/zinc/66/91/92/526669192.db2.gz MWIUMPWNIOBPGJ-UHFFFAOYSA-N 0 0 433.487 2.922 50 0 IFAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000012409128 526678159 /nfs/dbraw/zinc/67/81/59/526678159.db2.gz RFIQBDULTDRMFU-UHFFFAOYSA-N 0 0 441.296 2.676 50 0 IFAARN O=C(CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCc2ccccc2C1 ZINC000035403341 526682788 /nfs/dbraw/zinc/68/27/88/526682788.db2.gz YVELDOQOPCPPIC-UHFFFAOYSA-N 0 0 438.553 2.796 50 0 IFAARN O=C(CCn1cnc2ccccc21)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 ZINC000012317853 526683298 /nfs/dbraw/zinc/68/32/98/526683298.db2.gz MAQCKONMUIJWOI-MRXNPFEDSA-N 0 0 432.571 2.705 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(C(F)(F)F)cc1 ZINC000012906442 526693438 /nfs/dbraw/zinc/69/34/38/526693438.db2.gz IFOMPNXBKQLKQX-UHFFFAOYSA-N 0 0 434.461 2.718 50 0 IFAARN O=C(CN1C(=O)COc2ccc(C(=O)N3CCCC3)cc21)NCc1ccc(Cl)cc1 ZINC000021020625 526708487 /nfs/dbraw/zinc/70/84/87/526708487.db2.gz DMTOQQZVDGEEAM-UHFFFAOYSA-N 0 0 427.888 2.618 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000021601288 526714051 /nfs/dbraw/zinc/71/40/51/526714051.db2.gz RQQDWKUTKVDLJY-HSZRJFAPSA-N 0 0 449.898 2.917 50 0 IFAARN O=C(CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2)Nc1ccccc1 ZINC000035430794 526731619 /nfs/dbraw/zinc/73/16/19/526731619.db2.gz CYYCJYCMXRKUBI-UHFFFAOYSA-N 0 0 441.329 2.799 50 0 IFAARN O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1 ZINC000035430789 526731912 /nfs/dbraw/zinc/73/19/12/526731912.db2.gz BEGWWZFIMKGNLQ-UHFFFAOYSA-N 0 0 432.858 2.968 50 0 IFAARN O=C(CN1CCN(C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)CC1)NC1CC1 ZINC000035388369 526765633 /nfs/dbraw/zinc/76/56/33/526765633.db2.gz XGDJPVLXXGZGPG-UHFFFAOYSA-N 0 0 435.553 2.637 50 0 IFAARN O=C(NCc1cccnc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000022381858 526767679 /nfs/dbraw/zinc/76/76/79/526767679.db2.gz PALFEPNNXHMAIQ-QGZVFWFLSA-N 0 0 438.347 2.704 50 0 IFAARN O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)NCc1cccc(Cl)c1 ZINC000022912389 526770645 /nfs/dbraw/zinc/77/06/45/526770645.db2.gz LIGVMDDOIXPWTA-UHFFFAOYSA-N 0 0 435.355 2.866 50 0 IFAARN O=C(c1cccc(OC(F)F)c1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000012744759 526773769 /nfs/dbraw/zinc/77/37/69/526773769.db2.gz MWVVBWYRCJKGPB-UHFFFAOYSA-N 0 0 427.407 2.728 50 0 IFAARN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N(Cc1ccccc1F)C1CC1 ZINC000022774582 526774305 /nfs/dbraw/zinc/77/43/05/526774305.db2.gz WRNYNKQHQWCPDQ-UHFFFAOYSA-N 0 0 425.504 2.863 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000012790348 526775558 /nfs/dbraw/zinc/77/55/58/526775558.db2.gz BPQPXLYVZCTZIP-SFHVURJKSA-N 0 0 439.541 2.534 50 0 IFAARN O=C(CN1CCN(Cc2ccco2)CC1)Nc1ccc(I)cc1 ZINC000022912823 526776159 /nfs/dbraw/zinc/77/61/59/526776159.db2.gz SKSPRUIKLWRACO-UHFFFAOYSA-N 0 0 425.270 2.641 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)NC1CCCCC1 ZINC000012916492 526780122 /nfs/dbraw/zinc/78/01/22/526780122.db2.gz FJAYPFXVWPJUAJ-UHFFFAOYSA-N 0 0 434.389 2.749 50 0 IFAARN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)N1CC(=O)Nc2ccccc21 ZINC000024607889 526825760 /nfs/dbraw/zinc/82/57/60/526825760.db2.gz IGIWKZPSOKQESM-UHFFFAOYSA-N 0 0 437.452 2.987 50 0 IFAARN O=C(CNC(=O)COC(=O)c1ccc2ncsc2c1)Nc1ccccc1Br ZINC000018251190 526832948 /nfs/dbraw/zinc/83/29/48/526832948.db2.gz UXNGJYIECJUVEK-UHFFFAOYSA-N 0 0 448.298 2.971 50 0 IFAARN NC(=O)C1CCN(C(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Oc3ccccc32)CC1 ZINC000020731335 526855307 /nfs/dbraw/zinc/85/53/07/526855307.db2.gz HPWUYWVNVCTXCQ-DEDYPNTBSA-N 0 0 439.899 2.830 50 0 IFAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccccc1OC(F)(F)F ZINC000012744782 526857896 /nfs/dbraw/zinc/85/78/96/526857896.db2.gz KNDWLVHZCCRIPV-UHFFFAOYSA-N 0 0 435.402 2.758 50 0 IFAARN NC(=O)CSc1nnc(SCc2cc3c(cc2Br)OCCO3)s1 ZINC000022091396 526902481 /nfs/dbraw/zinc/90/24/81/526902481.db2.gz BIOJJDVVUXUGOR-UHFFFAOYSA-N 0 0 434.362 2.942 50 0 IFAARN O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000014705837 526914487 /nfs/dbraw/zinc/91/44/87/526914487.db2.gz GXNALKAGDOHEHT-NRFANRHFSA-N 0 0 438.480 2.932 50 0 IFAARN NC(=O)[C@@H]1CN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c2ccccc2O1 ZINC000035266994 526980287 /nfs/dbraw/zinc/98/02/87/526980287.db2.gz HCVXIOHTWVWZCA-LPHOPBHVSA-N 0 0 436.493 2.772 50 0 IFAARN O=C(COc1ccccc1Br)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000012805097 526987822 /nfs/dbraw/zinc/98/78/22/526987822.db2.gz NOZLPRUBGCSUPU-CYBMUJFWSA-N 0 0 428.304 2.637 50 0 IFAARN O=C1CN(S(=O)(=O)c2ccc3oc4cc(-n5cnnn5)ccc4c3c2)c2ccccc2N1 ZINC000012360074 527007284 /nfs/dbraw/zinc/00/72/84/527007284.db2.gz BAXXQBKNBVCNSA-UHFFFAOYSA-N 0 0 446.448 2.709 50 0 IFAARN O=C1CS(=O)(=O)[C@]2(c3ccccc3N(Cc3ccccc3F)C2=O)N1c1ccccc1 ZINC000020577523 527015826 /nfs/dbraw/zinc/01/58/26/527015826.db2.gz RFYBIBNZDMSGAH-QHCPKHFHSA-N 0 0 436.464 2.987 50 0 IFAARN Cn1c(CCC(=O)NCc2ccco2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012578254 527047067 /nfs/dbraw/zinc/04/70/67/527047067.db2.gz VRHLLGNMQJEIJG-UHFFFAOYSA-N 0 0 430.530 2.590 50 0 IFAARN O=C(CSc1nc(=O)n([C@H]2CCS(=O)(=O)C2)c2c1CCC2)c1ccc(Cl)cc1 ZINC000021800754 527053224 /nfs/dbraw/zinc/05/32/24/527053224.db2.gz VHPMXWCLCHIIGO-AWEZNQCLSA-N 0 0 438.958 2.720 50 0 IFAARN Cn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2 ZINC000065284555 527059234 /nfs/dbraw/zinc/05/92/34/527059234.db2.gz ZIERXZDBFDKESD-UHFFFAOYSA-N 0 0 436.434 2.934 50 0 IFAARN O=C1NC2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)N=C1c1cccc(F)c1 ZINC000035432611 527060153 /nfs/dbraw/zinc/06/01/53/527060153.db2.gz PQJBJMMHTOFWRO-UHFFFAOYSA-N 0 0 439.871 2.718 50 0 IFAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000009816939 527080344 /nfs/dbraw/zinc/08/03/44/527080344.db2.gz RDFHOVDHCJZKLW-UHFFFAOYSA-N 0 0 446.558 2.720 50 0 IFAARN Cn1c(SCC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)nnc1C(F)(F)F ZINC000012916597 527081017 /nfs/dbraw/zinc/08/10/17/527081017.db2.gz OQLPYVFGWGVGKV-UHFFFAOYSA-N 0 0 433.887 2.924 50 0 IFAARN O=C(CSc1nnc(C2CC2)n1Cc1ccco1)NC[C@H]1COc2ccccc2O1 ZINC000022090730 527081818 /nfs/dbraw/zinc/08/18/18/527081818.db2.gz JZFOVZAVUIXJNR-INIZCTEOSA-N 0 0 426.498 2.845 50 0 IFAARN O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)N1CCc2sccc2C1 ZINC000014302092 527086258 /nfs/dbraw/zinc/08/62/58/527086258.db2.gz MQHDFFUKZYNBSQ-UHFFFAOYSA-N 0 0 441.582 2.842 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCC1CCOCC1 ZINC000012464327 527100931 /nfs/dbraw/zinc/10/09/31/527100931.db2.gz LPJCSIRTPSVUDE-HSZRJFAPSA-N 0 0 437.540 2.712 50 0 IFAARN O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 ZINC000014747851 527110901 /nfs/dbraw/zinc/11/09/01/527110901.db2.gz NREIVKKLPWYEQS-QGTPRVQTSA-N 0 0 447.322 2.826 50 0 IFAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000245240523 527117760 /nfs/dbraw/zinc/11/77/60/527117760.db2.gz ZAOKSCPLTUYESP-SSYCLKDWSA-N 0 0 434.398 2.692 50 0 IFAARN Cn1c2cn(Cc3ccccn3)c(-c3ccccc3Br)c2c(=O)n(C)c1=O ZINC000012428158 527118864 /nfs/dbraw/zinc/11/88/64/527118864.db2.gz WZBDMAVQGSVYIJ-UHFFFAOYSA-N 0 0 425.286 2.912 50 0 IFAARN Cn1c2nc3n(cc(C45CC6CC(CC(C6)C4)C5)n3-c3ccc(O)cc3)c2c(=O)n(C)c1=O ZINC000012427926 527124124 /nfs/dbraw/zinc/12/41/24/527124124.db2.gz CWEGGJXCBPOYIT-UHFFFAOYSA-N 0 0 445.523 2.849 50 0 IFAARN O=C1c2cccc3cccc(c23)N1CN1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012884025 527127852 /nfs/dbraw/zinc/12/78/52/527127852.db2.gz UVKZOCZQAXVAAQ-UHFFFAOYSA-N 0 0 425.485 2.903 50 0 IFAARN Cc1nc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc4c(c3)OCCCO4)ccc2o1 ZINC000024013419 527128063 /nfs/dbraw/zinc/12/80/63/527128063.db2.gz IPTRSIKNSIMLHG-GFCCVEGCSA-N 0 0 431.470 2.603 50 0 IFAARN Cn1cc(C(=O)N2CC(=O)N(Cc3ccccc3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000089749842 527157646 /nfs/dbraw/zinc/15/76/46/527157646.db2.gz PGDWJGGNAWDTCW-UHFFFAOYSA-N 0 0 432.480 2.691 50 0 IFAARN O=C(Nc1ccc(CN2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000020623914 527169058 /nfs/dbraw/zinc/16/90/58/527169058.db2.gz PMGBMEOIKNRSLK-FQEVSTJZSA-N 0 0 443.569 2.558 50 0 IFAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cc(F)c(F)c(F)c1F ZINC000012775362 527198891 /nfs/dbraw/zinc/19/88/91/527198891.db2.gz LSCKZFWMXYHXEA-UHFFFAOYSA-N 0 0 436.358 2.655 50 0 IFAARN O=C(Cc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000012772411 527229390 /nfs/dbraw/zinc/22/93/90/527229390.db2.gz MADIYNMVPMZSIP-UHFFFAOYSA-N 0 0 441.322 2.664 50 0 IFAARN O=S(=O)(NCc1ccc(OC(F)F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000021178613 527231533 /nfs/dbraw/zinc/23/15/33/527231533.db2.gz MINVTSRXKLIWGM-UHFFFAOYSA-N 0 0 446.497 2.551 50 0 IFAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 ZINC000012443492 527280414 /nfs/dbraw/zinc/28/04/14/527280414.db2.gz JZFWKCDXAZNCNK-UHFFFAOYSA-N 0 0 435.553 2.928 50 0 IFAARN Cc1ncc(COC(=O)C(C)C)c2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)oc12 ZINC000033048697 527282153 /nfs/dbraw/zinc/28/21/53/527282153.db2.gz ZGKOUNFBKLWCEO-UHFFFAOYSA-N 0 0 438.436 2.854 50 0 IFAARN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000022714535 527327451 /nfs/dbraw/zinc/32/74/51/527327451.db2.gz LLXWHNRRCLDOLU-UHFFFAOYSA-N 0 0 427.508 2.634 50 0 IFAARN O=C(Nc1cccc(Cl)c1)NC1(CO)COC(c2ccc(N3CCOCC3)cc2)OC1 ZINC000012428735 527342799 /nfs/dbraw/zinc/34/27/99/527342799.db2.gz NAYAXETWIGVQAR-UHFFFAOYSA-N 0 0 447.919 2.775 50 0 IFAARN O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031345 527343350 /nfs/dbraw/zinc/34/33/50/527343350.db2.gz YPZQKGZKPLBIEU-CQSZACIVSA-N 0 0 431.894 2.692 50 0 IFAARN O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000012360183 527351550 /nfs/dbraw/zinc/35/15/50/527351550.db2.gz JPNGWVWWSSAPMY-UHFFFAOYSA-N 0 0 433.464 2.995 50 0 biogenic,in-vitro IFAARN O=C(Cn1c(=O)ccn(Cc2ccc(F)cc2)c1=O)Nc1ccc(Br)cc1 ZINC000033331045 527352279 /nfs/dbraw/zinc/35/22/79/527352279.db2.gz QZHIAFMVPRAUBX-UHFFFAOYSA-N 0 0 432.249 2.599 50 0 IFAARN O=C(Cn1cnc2c3cc(Br)ccc3[nH]c2c1=O)NCCc1ccccc1 ZINC000023126062 527400080 /nfs/dbraw/zinc/40/00/80/527400080.db2.gz QCBAKUDRMRZPOR-UHFFFAOYSA-N 0 0 425.286 2.999 50 0 IFAARN Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)N1CCc2ccccc2C1 ZINC000021155543 527408006 /nfs/dbraw/zinc/40/80/06/527408006.db2.gz SEWYROZJZJWWKH-NRFANRHFSA-N 0 0 446.507 2.608 50 0 IFAARN O=C(Nc1ccccc1Br)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012600332 527408042 /nfs/dbraw/zinc/40/80/42/527408042.db2.gz LVWWRTCKQUUUCO-UHFFFAOYSA-N 0 0 425.304 2.722 50 0 IFAARN O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCc1ccc(Cl)cc1 ZINC000044891580 527417078 /nfs/dbraw/zinc/41/70/78/527417078.db2.gz DOBFBGPEYVDCMJ-UHFFFAOYSA-N 0 0 437.931 2.540 50 0 IFAARN O=C(Cn1nc2c(c1NC(=O)C(=O)c1c[nH]c3ccccc13)CSC2)NCc1ccco1 ZINC000023139334 527417707 /nfs/dbraw/zinc/41/77/07/527417707.db2.gz GOCBJFZMXKTMAJ-UHFFFAOYSA-N 0 0 449.492 2.842 50 0 IFAARN Nc1c(Cl)cc(Cl)cc1C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000021712700 527430652 /nfs/dbraw/zinc/43/06/52/527430652.db2.gz MDXOYLYPBPXVSA-UHFFFAOYSA-N 0 0 445.324 2.954 50 0 IFAARN O=C(Cn1nnc2ccccc2c1=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000031819055 527430560 /nfs/dbraw/zinc/43/05/60/527430560.db2.gz IQYZBERHXBNFRQ-UHFFFAOYSA-N 0 0 425.492 2.671 50 0 IFAARN O=c1[nH]c2cc3c(cc2c(=O)n1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)OCO3 ZINC000021873930 527442572 /nfs/dbraw/zinc/44/25/72/527442572.db2.gz ABHSVLASOMAHPY-UHFFFAOYSA-N 0 0 432.314 2.536 50 0 IFAARN O=C(Nc1ccncc1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000012545596 527456406 /nfs/dbraw/zinc/45/64/06/527456406.db2.gz NWHRCFHGNQXGJD-UHFFFAOYSA-N 0 0 440.500 2.984 50 0 IFAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccsc21 ZINC000021848647 527496116 /nfs/dbraw/zinc/49/61/16/527496116.db2.gz KFGCHVBRGSIKTJ-UHFFFAOYSA-N 0 0 440.550 2.644 50 0 IFAARN O=C(NC1CCCCC1)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000035428528 527512657 /nfs/dbraw/zinc/51/26/57/527512657.db2.gz VUXUQIMJMYEDCG-UHFFFAOYSA-N 0 0 430.524 2.503 50 0 IFAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000021631924 527526911 /nfs/dbraw/zinc/52/69/11/527526911.db2.gz ILEPQWKJWGAXHG-UHFFFAOYSA-N 0 0 449.530 2.702 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000012766403 527538790 /nfs/dbraw/zinc/53/87/90/527538790.db2.gz KXQQQBQMWMFGTH-UHFFFAOYSA-N 0 0 440.525 2.997 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000022883387 527538875 /nfs/dbraw/zinc/53/88/75/527538875.db2.gz JOJQGFHSLJBEBG-UHFFFAOYSA-N 0 0 438.509 2.850 50 0 IFAARN Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(C(=O)c1ccc(Br)o1)C2 ZINC000035405884 527546250 /nfs/dbraw/zinc/54/62/50/527546250.db2.gz ZXXKKAINBZIPGL-UHFFFAOYSA-N 0 0 443.301 2.904 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C)ccc1C ZINC000012817169 527546323 /nfs/dbraw/zinc/54/63/23/527546323.db2.gz MVVVMCPMWIGKEQ-QFIPXVFZSA-N 0 0 438.553 2.968 50 0 IFAARN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 ZINC000012793270 527602919 /nfs/dbraw/zinc/60/29/19/527602919.db2.gz AFMQILXJSBGYRX-CMDGGOBGSA-N 0 0 444.601 2.817 50 0 IFAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1cccnc1)c1cc(C)cc(C)c1 ZINC000021882018 527655128 /nfs/dbraw/zinc/65/51/28/527655128.db2.gz QEDUCURRXBZIKF-UHFFFAOYSA-N 0 0 441.557 2.560 50 0 IFAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1ccccn1)c1cc(C)cc(C)c1 ZINC000021882017 527655486 /nfs/dbraw/zinc/65/54/86/527655486.db2.gz CYPKABGAGBGKCI-UHFFFAOYSA-N 0 0 441.557 2.560 50 0 IFAARN O=C(NCCCN1CCOCC1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915043 527672071 /nfs/dbraw/zinc/67/20/71/527672071.db2.gz ZFOHOHADRUCWLI-UHFFFAOYSA-N 0 0 436.556 2.975 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000012845535 527673152 /nfs/dbraw/zinc/67/31/52/527673152.db2.gz LGNZOCCREPMYEY-QZTJIDSGSA-N 0 0 437.466 2.996 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000021531216 527673255 /nfs/dbraw/zinc/67/32/55/527673255.db2.gz BDXGOUZYOFLJBS-UHFFFAOYSA-N 0 0 441.557 2.678 50 0 IFAARN CCCNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1N1CCOCC1 ZINC000009971036 535095094 /nfs/dbraw/zinc/09/50/94/535095094.db2.gz JORHQGHJCSUSOX-UHFFFAOYSA-N 0 0 448.545 2.864 50 0 IFAARN CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000008683743 535180632 /nfs/dbraw/zinc/18/06/32/535180632.db2.gz BOFJPWVOVAOPRT-UHFFFAOYSA-N 0 0 433.549 2.795 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)Cc1ccccc1N1CCCCC1)C2=O ZINC000008729012 535267310 /nfs/dbraw/zinc/26/73/10/535267310.db2.gz GMXZRZMQSDXKFI-UHFFFAOYSA-N 0 0 441.576 2.641 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)C1 ZINC000010557752 535519225 /nfs/dbraw/zinc/51/92/25/535519225.db2.gz LNOBMCNWXXXRAG-MRXNPFEDSA-N 0 0 433.530 2.583 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 ZINC000003361219 535629927 /nfs/dbraw/zinc/62/99/27/535629927.db2.gz ASTGSQSGBCDZNQ-UHFFFAOYSA-N 0 0 430.526 2.853 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000009862399 535631296 /nfs/dbraw/zinc/63/12/96/535631296.db2.gz HMZXYXYIQJHYRN-UHFFFAOYSA-N 0 0 448.564 2.888 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCc2ccco2)c1 ZINC000009224232 535633817 /nfs/dbraw/zinc/63/38/17/535633817.db2.gz RNGHNQAGOMABAR-UHFFFAOYSA-N 0 0 435.546 2.718 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(C)c(C)c2)[C@](C)(C(=O)NC2CCCCCC2)C1 ZINC000008590637 535656222 /nfs/dbraw/zinc/65/62/22/535656222.db2.gz ICEMWGVMXLLZNT-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN CCOc1cc(Br)c(CC(=O)N2CCN(c3cnccn3)CC2)cc1OCC ZINC000011545141 535661529 /nfs/dbraw/zinc/66/15/29/535661529.db2.gz WJRNSQARJNDYMH-UHFFFAOYSA-N 0 0 449.349 2.928 50 0 IFAARN CCN(C)C(=O)c1cccc(CSc2nc(COC)cc(N3CCN(C)CC3)n2)c1 ZINC000006765326 535743413 /nfs/dbraw/zinc/74/34/13/535743413.db2.gz CTOGLQKYOYYHTA-UHFFFAOYSA-N 0 0 429.590 2.759 50 0 IFAARN CCc1nn(CC(=O)N2CCN(c3cccc(C)c3C)CC2)c(=O)c2cc3occc3n21 ZINC000008611088 535838226 /nfs/dbraw/zinc/83/82/26/535838226.db2.gz KKMRLZFCWSHIMS-UHFFFAOYSA-N 0 0 433.512 2.770 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cccc(Cl)c2F)c1 ZINC000009222582 536112485 /nfs/dbraw/zinc/11/24/85/536112485.db2.gz UKUYLOIMVKALSE-UHFFFAOYSA-N 0 0 441.912 2.818 50 0 IFAARN CN1C(=O)COc2ccc(S(=O)(=O)N3CCCc4cc(Br)ccc43)cc21 ZINC000008783059 536315538 /nfs/dbraw/zinc/31/55/38/536315538.db2.gz HIYLMQAFZROHLS-UHFFFAOYSA-N 0 0 437.315 2.946 50 0 IFAARN COc1ccc(-c2nc(CC(=O)N3CCN(c4ncccn4)CC3)cs2)cc1OC ZINC000013719741 536510349 /nfs/dbraw/zinc/51/03/49/536510349.db2.gz CDOFALRJEFEDES-UHFFFAOYSA-N 0 0 425.514 2.509 50 0 IFAARN COc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCc2ccccc2)c4=O)cc1 ZINC000002406989 536708217 /nfs/dbraw/zinc/70/82/17/536708217.db2.gz ILXXNBNMMSTRRC-QGZVFWFLSA-N 0 0 445.523 2.936 50 0 IFAARN COc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccc(F)cc2)c4=O)cc1 ZINC000009160557 536708862 /nfs/dbraw/zinc/70/88/62/536708862.db2.gz GYVMJGDATSEGKO-OAHLLOKOSA-N 0 0 449.486 2.881 50 0 IFAARN COc1ccccc1CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 ZINC000009224226 537038224 /nfs/dbraw/zinc/03/82/24/537038224.db2.gz YUZHBINADRLTSY-UHFFFAOYSA-N 0 0 445.585 2.908 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)CC1 ZINC000008584686 537065776 /nfs/dbraw/zinc/06/57/76/537065776.db2.gz SVPXLDJICZDKIL-UHFFFAOYSA-N 0 0 436.537 2.886 50 0 IFAARN COc1ccnc(N2CCN(Cc3nc(=O)c4c(-c5cccs5)csc4[nH]3)CC2)n1 ZINC000008705266 537118228 /nfs/dbraw/zinc/11/82/28/537118228.db2.gz YVAVBJWSWCKAAT-UHFFFAOYSA-N 0 0 440.554 2.834 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc(C(=O)N4CCCC4)s3)CC2)c1 ZINC000009748464 537123875 /nfs/dbraw/zinc/12/38/75/537123875.db2.gz FNODNTVZLUOFND-UHFFFAOYSA-N 0 0 435.571 2.504 50 0 IFAARN COc1ccc([C@@H]2Sc3ccccc3NC(=O)[C@H]2OC(=O)CN2CCN(C)CC2)cc1 ZINC000000638704 555517469 /nfs/dbraw/zinc/51/74/69/555517469.db2.gz OZMYBGOTPNDMQV-VXKWHMMOSA-N 0 0 441.553 2.640 50 0 IFAARN COC(=O)c1c2ccc(c1C(=O)OC)CCc1ccc(c(C(=O)OC)c1C(=O)OC)CC2 ZINC000000639880 555518027 /nfs/dbraw/zinc/51/80/27/555518027.db2.gz ZUYBKGPVJPHPTM-UHFFFAOYSA-N 0 0 440.448 2.717 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000653652 555524061 /nfs/dbraw/zinc/52/40/61/555524061.db2.gz VFLXYRPQTHFWTK-JKALPCAWSA-N 0 0 438.505 2.708 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(Cl)cc2)cc1 ZINC000000660561 555526394 /nfs/dbraw/zinc/52/63/94/555526394.db2.gz KNZUXAHTPAWYTF-SFHVURJKSA-N 0 0 438.933 2.839 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1OC ZINC000000686837 555540085 /nfs/dbraw/zinc/54/00/85/555540085.db2.gz JRGIBQHORXEBTH-UHFFFAOYSA-N 0 0 432.420 2.982 50 0 IFAARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000000706493 555544990 /nfs/dbraw/zinc/54/49/90/555544990.db2.gz UHOGOPMXBVADHU-QFYYESIMSA-N 0 0 439.262 2.528 50 0 IFAARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000000706491 555545036 /nfs/dbraw/zinc/54/50/36/555545036.db2.gz UHOGOPMXBVADHU-HWPZZCPQSA-N 0 0 439.262 2.528 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000728855 555552327 /nfs/dbraw/zinc/55/23/27/555552327.db2.gz MJWRRXDSLOSKDR-FNGUVFISSA-N 0 0 434.517 2.725 50 0 IFAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(OC)c2OC)c1 ZINC000000779988 555554654 /nfs/dbraw/zinc/55/46/54/555554654.db2.gz NYUQXVUMJLLHSS-LJQANCHMSA-N 0 0 427.457 2.988 50 0 IFAARN CC(C)c1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000000785374 555556361 /nfs/dbraw/zinc/55/63/61/555556361.db2.gz ABAIQZFDOUAIQK-UHFFFAOYSA-N 0 0 443.569 2.729 50 0 IFAARN COc1ccc(CCNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC ZINC000000791116 555557040 /nfs/dbraw/zinc/55/70/40/555557040.db2.gz AFVLZPMTQFRRNW-CQSZACIVSA-N 0 0 441.553 2.959 50 0 IFAARN COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1cc2c(cc1Cl)OCO2 ZINC000000815807 555562118 /nfs/dbraw/zinc/56/21/18/555562118.db2.gz OUEVTCJJWGCRMB-LBPRGKRZSA-N 0 0 435.860 2.761 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000832108 555566473 /nfs/dbraw/zinc/56/64/73/555566473.db2.gz GGVOYBFRCISHRE-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN Cc1ccc(C(=O)Oc2ccccc2Br)cc1S(=O)(=O)N1CCOCC1 ZINC000000862389 555572951 /nfs/dbraw/zinc/57/29/51/555572951.db2.gz LKVVDEMKJBMVCT-UHFFFAOYSA-N 0 0 440.315 2.998 50 0 IFAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=S ZINC000000868476 555574619 /nfs/dbraw/zinc/57/46/19/555574619.db2.gz XZBJXBIBCDZGFL-INIZCTEOSA-N 0 0 429.473 2.901 50 0 IFAARN COc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1OC ZINC000000881217 555577471 /nfs/dbraw/zinc/57/74/71/555577471.db2.gz ZHGOWSZQRAQOEJ-UHFFFAOYSA-N 0 0 446.569 2.951 50 0 IFAARN CCOc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000889000 555579470 /nfs/dbraw/zinc/57/94/70/555579470.db2.gz BKSDJDWQPFSAFR-FQEVSTJZSA-N 0 0 432.542 2.884 50 0 IFAARN CCOc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000888997 555579495 /nfs/dbraw/zinc/57/94/95/555579495.db2.gz BKSDJDWQPFSAFR-HXUWFJFHSA-N 0 0 432.542 2.884 50 0 IFAARN COc1cccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000889738 555579500 /nfs/dbraw/zinc/57/95/00/555579500.db2.gz RBGQDWSTMWQONR-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)c(OC)c2)c1 ZINC000000909929 555582537 /nfs/dbraw/zinc/58/25/37/555582537.db2.gz JQUJAQRALZSNGT-LJQANCHMSA-N 0 0 429.498 2.850 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(C)cc2)cc1 ZINC000000912603 555582851 /nfs/dbraw/zinc/58/28/51/555582851.db2.gz QSGXAYZKXUPINO-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OCC ZINC000000917368 555583784 /nfs/dbraw/zinc/58/37/84/555583784.db2.gz AJCIAZYERIEJDY-UHFFFAOYSA-N 0 0 434.514 2.757 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C ZINC000000924601 555584941 /nfs/dbraw/zinc/58/49/41/555584941.db2.gz YTRVTRYXFWQXOZ-UHFFFAOYSA-N 0 0 436.497 2.731 50 0 IFAARN COc1ccc2oc(C(=O)OCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 ZINC000009670805 555586230 /nfs/dbraw/zinc/58/62/30/555586230.db2.gz NPTXUNLOGCEWIC-OAHLLOKOSA-N 0 0 437.514 2.578 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1 ZINC000000953218 555589770 /nfs/dbraw/zinc/58/97/70/555589770.db2.gz MGYIMUZFRUUOGT-MRXNPFEDSA-N 0 0 431.514 2.929 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccccc2)cc1 ZINC000001012525 555602301 /nfs/dbraw/zinc/60/23/01/555602301.db2.gz FHAGPBJDLPIHLH-UHFFFAOYSA-N 0 0 437.521 2.924 50 0 IFAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000001028335 555604961 /nfs/dbraw/zinc/60/49/61/555604961.db2.gz LVBUDWPAJPSXQH-UHFFFAOYSA-N 0 0 439.437 2.885 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000001050372 555612977 /nfs/dbraw/zinc/61/29/77/555612977.db2.gz YUPPILSNWIGHFG-UHFFFAOYSA-N 0 0 428.894 2.625 50 0 IFAARN COc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1OC ZINC000001065062 555617792 /nfs/dbraw/zinc/61/77/92/555617792.db2.gz YZYANWLTEVWRTM-UHFFFAOYSA-N 0 0 443.266 2.830 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)c1cc(C)cc(C)c1 ZINC000001067002 555618810 /nfs/dbraw/zinc/61/88/10/555618810.db2.gz HJIOTDUUOJTYJD-UHFFFAOYSA-N 0 0 432.542 2.675 50 0 IFAARN CCOC(=O)C1=C(Cn2ccc(C(F)(F)F)n2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000001069822 555620619 /nfs/dbraw/zinc/62/06/19/555620619.db2.gz GIOKBJPXFMUIML-INIZCTEOSA-N 0 0 438.362 2.502 50 0 IFAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(I)ccc1OC ZINC000001074619 555623249 /nfs/dbraw/zinc/62/32/49/555623249.db2.gz QCTGLWAKBIXZFT-AWEZNQCLSA-N 0 0 430.242 2.833 50 0 IFAARN CCOC(=O)c1ccc(-n2cc3c(c2-c2ccc(OC)cc2)c(=O)n(C)c(=O)n3C)cc1 ZINC000001075508 555623965 /nfs/dbraw/zinc/62/39/65/555623965.db2.gz KAWLZLOWIPXTNK-UHFFFAOYSA-N 0 0 433.464 2.880 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccccc1 ZINC000001079881 555625953 /nfs/dbraw/zinc/62/59/53/555625953.db2.gz KOGUXTYBODYPJS-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1 ZINC000001108282 555629882 /nfs/dbraw/zinc/62/98/82/555629882.db2.gz QVVYDKWMMLYUGC-UHFFFAOYSA-N 0 0 429.542 2.744 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCOCC2)c(C)c1 ZINC000001114445 555633529 /nfs/dbraw/zinc/63/35/29/555633529.db2.gz NYTYACIWVMJXNW-UHFFFAOYSA-N 0 0 430.570 2.704 50 0 IFAARN COC(=O)c1sc2cc(NC(=S)N3CCN(S(C)(=O)=O)CC3)ccc2c1Cl ZINC000001117413 555635139 /nfs/dbraw/zinc/63/51/39/555635139.db2.gz ITVFFHFBKKZKPM-UHFFFAOYSA-N 0 0 447.991 2.615 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001123919 555639332 /nfs/dbraw/zinc/63/93/32/555639332.db2.gz HVTFWPWOVYLPKD-UHFFFAOYSA-N 0 0 435.933 2.835 50 0 IFAARN C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 ZINC000001127280 555642006 /nfs/dbraw/zinc/64/20/06/555642006.db2.gz QXDXQVQGJJQEFJ-STQMWFEESA-N 0 0 433.915 2.757 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1cccc(F)c1 ZINC000001130908 555644541 /nfs/dbraw/zinc/64/45/41/555644541.db2.gz WJQPZEQUXCEMJK-UHFFFAOYSA-N 0 0 445.472 2.753 50 0 IFAARN Cc1ccc2c(c1)c1c(n2C[C@@H](O)CN2C(=O)c3ccccc3S2(=O)=O)C(=O)CCC1 ZINC000001132644 555645457 /nfs/dbraw/zinc/64/54/57/555645457.db2.gz JFEFOYVYYQLBRW-OAHLLOKOSA-N 0 0 438.505 2.674 50 0 IFAARN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000001138039 555648032 /nfs/dbraw/zinc/64/80/32/555648032.db2.gz AEKZVBPHFNJYLA-UHFFFAOYSA-N 0 0 449.960 2.644 50 0 IFAARN CN(C)c1nc(Oc2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2)nc(N(C)C)n1 ZINC000001147595 555654363 /nfs/dbraw/zinc/65/43/63/555654363.db2.gz KVLCNGFJNSDBMS-UHFFFAOYSA-N 0 0 436.472 2.591 50 0 IFAARN Cn1c2nc(Oc3ccc4c(c3)OCO4)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000001150336 555656073 /nfs/dbraw/zinc/65/60/73/555656073.db2.gz BMEYMORJKCGRMM-UHFFFAOYSA-N 0 0 440.843 2.656 50 0 IFAARN O=C(Cc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001151237 555656405 /nfs/dbraw/zinc/65/64/05/555656405.db2.gz FKXYAYSRRDYOQQ-UHFFFAOYSA-N 0 0 439.331 2.651 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1OC ZINC000001156868 555659257 /nfs/dbraw/zinc/65/92/57/555659257.db2.gz ABGXWTVYBRZUEL-MRXNPFEDSA-N 0 0 432.542 2.982 50 0 IFAARN CCOC(=O)CN1c2ccccc2[C@@](O)(CC(=O)c2cccc(Br)c2)C1=O ZINC000001170369 555666174 /nfs/dbraw/zinc/66/61/74/555666174.db2.gz SLIJTAWYWYBXCR-FQEVSTJZSA-N 0 0 432.270 2.819 50 0 IFAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000001185074 555673773 /nfs/dbraw/zinc/67/37/73/555673773.db2.gz LOCYNMCQPNDDPU-KRWDZBQOSA-N 0 0 429.473 2.569 50 0 IFAARN O=C(Nc1ccc(F)cc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000001196086 555676650 /nfs/dbraw/zinc/67/66/50/555676650.db2.gz AODQVNKKCDMDSX-UHFFFAOYSA-N 0 0 443.294 2.861 50 0 IFAARN COc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccccc2C)cc1OC ZINC000001444553 555698409 /nfs/dbraw/zinc/69/84/09/555698409.db2.gz CUWKQPJKHIQGPG-UHFFFAOYSA-N 0 0 445.479 2.668 50 0 IFAARN CCOc1cc(C2C(C(=O)OC)=CN(C)C=C2C(=O)OC)cc(Br)c1OC ZINC000001457604 555700265 /nfs/dbraw/zinc/70/02/65/555700265.db2.gz JSDXWBVLEZUESY-UHFFFAOYSA-N 0 0 440.290 2.999 50 0 IFAARN CCSc1nc2ccccc2n1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001469870 555701156 /nfs/dbraw/zinc/70/11/56/555701156.db2.gz MQELSEBFDCUFQU-UHFFFAOYSA-N 0 0 431.539 2.858 50 0 IFAARN COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3Cl)cc2C1=O ZINC000001936256 555725691 /nfs/dbraw/zinc/72/56/91/555725691.db2.gz GLVMOZTVFYPHKY-UHFFFAOYSA-N 0 0 430.844 2.768 50 0 IFAARN CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002074769 555735634 /nfs/dbraw/zinc/73/56/34/555735634.db2.gz GKCGIIOGLCMILN-HNNXBMFYSA-N 0 0 443.294 2.713 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCCCCNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000002086271 555739977 /nfs/dbraw/zinc/73/99/77/555739977.db2.gz XOJDPDUKYKQGLY-NXZHAISVSA-N 0 0 436.464 2.883 50 0 IFAARN Cc1c(C(=O)NC2CCC(C)CC2)nnn1-c1cccc2c1CCN(c1nccc(N)n1)C2 ZINC000071890397 555744400 /nfs/dbraw/zinc/74/44/00/555744400.db2.gz HIZMOMVRKFXHNQ-UHFFFAOYSA-N 0 0 446.559 2.819 50 0 IFAARN Cc1nc(S(=O)(=O)N2CCC3(C[C@H]3c3nnc(-c4cccc(F)c4)o3)CC2)cn1C ZINC000071890421 555744671 /nfs/dbraw/zinc/74/46/71/555744671.db2.gz PIBNWRUNGTZCQH-INIZCTEOSA-N 0 0 431.493 2.876 50 0 IFAARN CCOC(=O)N1CCc2c(sc3nc(SCC(=O)c4ccccc4)n(N)c(=O)c23)C1 ZINC000002181022 555753779 /nfs/dbraw/zinc/75/37/79/555753779.db2.gz WQJXNFAPFAONON-UHFFFAOYSA-N 0 0 444.538 2.661 50 0 IFAARN CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)cc1 ZINC000002250426 555762242 /nfs/dbraw/zinc/76/22/42/555762242.db2.gz OBLFBUVDBXPREW-UHFFFAOYSA-N 0 0 437.496 2.995 50 0 IFAARN CCOc1ccccc1/C=c1\sc2nc(-c3cc(OC)c(OC)c(OC)c3)nn2c1=O ZINC000002359163 555771597 /nfs/dbraw/zinc/77/15/97/555771597.db2.gz GEDPIMCHCLOJNY-PDGQHHTCSA-N 0 0 439.493 2.790 50 0 IFAARN CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@]12c1cccc3c1N(C2=O)C(C)(C)C=C3C ZINC000002404580 555776455 /nfs/dbraw/zinc/77/64/55/555776455.db2.gz MLFRVJMBCLJAQS-VWLOTQADSA-N 0 0 448.475 2.902 50 0 IFAARN CC(C)CN(C[C@@H]1CN(C[C@H](O)COCc2ccco2)CCO1)C(=O)Cc1ccccc1 ZINC000034667271 555791293 /nfs/dbraw/zinc/79/12/93/555791293.db2.gz JKRYMSOYUFSDGP-UPVQGACJSA-N 0 0 444.572 2.585 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCO[C@@H](CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034667054 555791384 /nfs/dbraw/zinc/79/13/84/555791384.db2.gz UTZGZFDJKRAKRG-QFIPXVFZSA-N 0 0 447.938 2.908 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCO[C@H](CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034667053 555791461 /nfs/dbraw/zinc/79/14/61/555791461.db2.gz UTZGZFDJKRAKRG-JOCHJYFZSA-N 0 0 447.938 2.908 50 0 IFAARN CCOC(=O)[C@@H](C)n1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccc(C)cc1 ZINC000034693496 555807709 /nfs/dbraw/zinc/80/77/09/555807709.db2.gz GNSYOXIRKWLFIB-QGZVFWFLSA-N 0 0 432.480 2.830 50 0 IFAARN CC[C@H](Sc1nnc2c3ccccc3[nH]c2n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000002745940 555808811 /nfs/dbraw/zinc/80/88/11/555808811.db2.gz XBGFWXZSCFNXAA-HNNXBMFYSA-N 0 0 442.526 2.663 50 0 IFAARN COC(=O)c1ccc(Cn2cnc3c2c(=O)n(C2CC2)c(=O)n3-c2cccc(C)c2)cc1 ZINC000034694381 555809458 /nfs/dbraw/zinc/80/94/58/555809458.db2.gz JTSNBTRTCJJUHU-UHFFFAOYSA-N 0 0 430.464 2.827 50 0 IFAARN COCc1nnc2c3ccccc3nc(N3CCN(C(=O)c4ccccc4F)[C@H](C)C3)n12 ZINC000034706769 555821838 /nfs/dbraw/zinc/82/18/38/555821838.db2.gz JZLQIVZSRZJTIH-OAHLLOKOSA-N 0 0 434.475 2.914 50 0 IFAARN C[C@@H](CNC(=O)c1ccc2nc(N)sc2c1)NC(=O)c1ccc2nc(N)sc2c1 ZINC000002797308 555822799 /nfs/dbraw/zinc/82/27/99/555822799.db2.gz QWKGBJRXUYKNHA-VIFPVBQESA-N 0 0 426.527 2.619 50 0 IFAARN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(C)(=O)=O ZINC000002812902 555827799 /nfs/dbraw/zinc/82/77/99/555827799.db2.gz AYIYWOQXMKSDFY-UHFFFAOYSA-N 0 0 433.530 2.547 50 0 IFAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl ZINC000002841964 555836113 /nfs/dbraw/zinc/83/61/13/555836113.db2.gz BUDVGMVALSXPFE-UHFFFAOYSA-N 0 0 428.894 2.625 50 0 IFAARN COC(=O)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 ZINC000002856091 555841683 /nfs/dbraw/zinc/84/16/83/555841683.db2.gz JWGPPGVOLGCQQH-LLVKDONJSA-N 0 0 441.303 2.541 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000002857969 555842776 /nfs/dbraw/zinc/84/27/76/555842776.db2.gz QPECMHJHTBYITL-UHFFFAOYSA-N 0 0 426.878 2.540 50 0 IFAARN COCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000002865317 555846777 /nfs/dbraw/zinc/84/67/77/555846777.db2.gz XKOBXQXPEJMHQL-UHFFFAOYSA-N 0 0 436.555 2.698 50 0 IFAARN CN(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000002880278 555854568 /nfs/dbraw/zinc/85/45/68/555854568.db2.gz QAJXIXJMLYOBCJ-UHFFFAOYSA-N 0 0 425.348 2.819 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)N2CCOCC2)sc1NC(=O)COc1ccccc1 ZINC000002880732 555854901 /nfs/dbraw/zinc/85/49/01/555854901.db2.gz BMFNPYVCMAJBPQ-UHFFFAOYSA-N 0 0 432.498 2.723 50 0 IFAARN CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000002961994 555868019 /nfs/dbraw/zinc/86/80/19/555868019.db2.gz MVJZAMMYJFNBNC-HNNXBMFYSA-N 0 0 433.530 2.764 50 0 IFAARN COc1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1Cl ZINC000002992078 555875132 /nfs/dbraw/zinc/87/51/32/555875132.db2.gz ORQFWUGLMPQRRV-UHFFFAOYSA-N 0 0 432.951 2.757 50 0 IFAARN NC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000002994675 555875745 /nfs/dbraw/zinc/87/57/45/555875745.db2.gz KINCYUNTTLASJZ-UHFFFAOYSA-N 0 0 427.457 2.759 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C(=S)N3CCC(O)CC3)cc2)cc1 ZINC000003004067 555878142 /nfs/dbraw/zinc/87/81/42/555878142.db2.gz URZZUENRJLVIFO-UHFFFAOYSA-N 0 0 434.539 2.545 50 0 IFAARN Cc1ccccc1CC(=O)N1CCc2n[nH]c(C(=O)NCc3ccc4c(c3)OCO4)c2C1 ZINC000034809843 555908181 /nfs/dbraw/zinc/90/81/81/555908181.db2.gz ATCVNEJQLFQAGC-UHFFFAOYSA-N 0 0 432.480 2.504 50 0 IFAARN Cc1ccc(CC(=O)N2CCc3[nH]nc(C(=O)N4CCN(c5ccccc5)CC4)c3C2)cc1 ZINC000034809637 555908201 /nfs/dbraw/zinc/90/82/01/555908201.db2.gz CBXXNUXPBXSEIL-UHFFFAOYSA-N 0 0 443.551 2.808 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1cc2n(n1)CCN(Cc1ccc(Cl)cc1)C2=O ZINC000034810925 555908814 /nfs/dbraw/zinc/90/88/14/555908814.db2.gz MKFBNXDMWYIKCM-UHFFFAOYSA-N 0 0 438.871 2.851 50 0 IFAARN COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000034878651 555926280 /nfs/dbraw/zinc/92/62/80/555926280.db2.gz IJWIBOSNLQISMJ-UHFFFAOYSA-N 0 0 437.949 2.602 50 0 IFAARN CNC(=O)c1ccc(CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C2CC2)cc1 ZINC000034878947 555926401 /nfs/dbraw/zinc/92/64/01/555926401.db2.gz PGXHTDMJJMBFNS-UHFFFAOYSA-N 0 0 449.960 2.755 50 0 IFAARN COCCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003630550 555941752 /nfs/dbraw/zinc/94/17/52/555941752.db2.gz AEJXNKVZRLLROL-VXKWHMMOSA-N 0 0 442.512 2.776 50 0 IFAARN Cn1c2nc(NC[C@H]3CCCO3)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000004019685 555953081 /nfs/dbraw/zinc/95/30/81/555953081.db2.gz HQLAVNBTTDGILO-HXUWFJFHSA-N 0 0 445.523 2.584 50 0 IFAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc(Br)c1O ZINC000004113595 555963741 /nfs/dbraw/zinc/96/37/41/555963741.db2.gz DDFHHBJHPJDSKX-HNNXBMFYSA-N 0 0 443.294 2.759 50 0 biogenic,in-vitro IFAARN C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004155995 555969042 /nfs/dbraw/zinc/96/90/42/555969042.db2.gz XSNLHIWRTQZZSU-GSHBDLQKSA-N 0 0 434.286 2.595 50 0 IFAARN NC(=NC(=O)OCc1ccccc1)N(CCC[C@@H]([NH3+])C(=O)[O-])C(=O)OCc1ccccc1 ZINC000004536330 556000280 /nfs/dbraw/zinc/00/02/80/556000280.db2.gz YPUMRXRWHYQIPH-GOSISDBHSA-N 0 0 442.472 2.678 50 0 IFAARN O=C(NCc1ccc(Cl)cc1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009529864 556003524 /nfs/dbraw/zinc/00/35/24/556003524.db2.gz OEPGLGHXFCTZIU-SJORKVTESA-N 0 0 435.958 2.950 50 0 IFAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(CCN4CCCC4=O)CC3)C2=O)cc1 ZINC000004686236 556006298 /nfs/dbraw/zinc/00/62/98/556006298.db2.gz QGLIQEAETDHMLE-OAQYLSRUSA-N 0 0 427.545 2.832 50 0 IFAARN CCNC(=O)C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1CCc1ccc(OC)c(OC)c1 ZINC000005027797 556028883 /nfs/dbraw/zinc/02/88/83/556028883.db2.gz YENAODGBHTUOJX-GOSISDBHSA-N 0 0 425.485 2.610 50 0 IFAARN CC(C)N(C(=O)CO[C@H]1[C@H]2OC(C)(C)O[C@@H]2O[C@H]1[C@@H]1COC(C)(C)O1)c1ccccc1 ZINC000005224168 556038421 /nfs/dbraw/zinc/03/84/21/556038421.db2.gz NJHYYAKMLCLPQN-URZNZNTCSA-N 0 0 435.517 2.841 50 0 IFAARN COc1ccc(C)cc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1 ZINC000006021173 556072508 /nfs/dbraw/zinc/07/25/08/556072508.db2.gz JGBFKEAXBZFQRZ-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000006242359 556081840 /nfs/dbraw/zinc/08/18/40/556081840.db2.gz KWNVZOBIIXDKGR-JCAJYURWSA-N 0 0 449.532 2.590 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C)cc1 ZINC000006456676 556088961 /nfs/dbraw/zinc/08/89/61/556088961.db2.gz BIIOCPRNGMTYGS-UHFFFAOYSA-N 0 0 436.497 2.534 50 0 IFAARN COCCN1C(=O)N(c2cccc(OC)c2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 ZINC000006904875 556109194 /nfs/dbraw/zinc/10/91/94/556109194.db2.gz HWZUVYDPGZZKTK-IBGZPJMESA-N 0 0 427.457 2.516 50 0 IFAARN CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1 ZINC000014739972 556118202 /nfs/dbraw/zinc/11/82/02/556118202.db2.gz VFDMTSYBTPAPGS-UHFFFAOYSA-N 0 0 426.589 2.998 50 0 IFAARN NC(=O)CSc1nnc(CSc2ncccn2)n1-c1cccc(C(F)(F)F)c1 ZINC000002706223 556123882 /nfs/dbraw/zinc/12/38/82/556123882.db2.gz HUKIWTLMUNCGTN-UHFFFAOYSA-N 0 0 426.449 2.946 50 0 IFAARN CCOC(=O)[C@H](C)Oc1cccc2c1ccn(CC(=O)Nc1ccc3c(c1)OCO3)c2=O ZINC000002712330 556125623 /nfs/dbraw/zinc/12/56/23/556125623.db2.gz NKIFXFAIBIOAQV-AWEZNQCLSA-N 0 0 438.436 2.699 50 0 IFAARN COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000002723460 556128764 /nfs/dbraw/zinc/12/87/64/556128764.db2.gz KARBKLYQCVTGCD-UHFFFAOYSA-N 0 0 428.470 2.782 50 0 IFAARN CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1-c1ccc(OC)cc1 ZINC000002723999 556129173 /nfs/dbraw/zinc/12/91/73/556129173.db2.gz ZZIDFNIRZFKDEA-UHFFFAOYSA-N 0 0 440.525 2.790 50 0 IFAARN COC(=O)CSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1ccccc1OC ZINC000002724025 556130501 /nfs/dbraw/zinc/13/05/01/556130501.db2.gz NNQMVUBTBZQVIO-UHFFFAOYSA-N 0 0 430.461 2.610 50 0 IFAARN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000002781490 556137977 /nfs/dbraw/zinc/13/79/77/556137977.db2.gz YTYLPLIFYMBQAB-UHFFFAOYSA-N 0 0 449.227 2.550 50 0 IFAARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Cl)C1 ZINC000002808026 556146380 /nfs/dbraw/zinc/14/63/80/556146380.db2.gz IANDWBCAVSBTLL-ZDUSSCGKSA-N 0 0 431.345 2.848 50 0 IFAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)C1 ZINC000002807972 556146389 /nfs/dbraw/zinc/14/63/89/556146389.db2.gz MZVPNCGSOXWIKR-GFCCVEGCSA-N 0 0 431.345 2.848 50 0 IFAARN COc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2ccc(OC)cc2)cc1 ZINC000008400530 556166212 /nfs/dbraw/zinc/16/62/12/556166212.db2.gz DARHGKCPOYAWFW-VXKWHMMOSA-N 0 0 442.512 2.705 50 0 IFAARN CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCC(=O)N1CCCC1 ZINC000008426023 556168608 /nfs/dbraw/zinc/16/86/08/556168608.db2.gz AHDSAUKZWNLBIN-KGENOOAVSA-N 0 0 449.532 2.857 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000008443606 556178361 /nfs/dbraw/zinc/17/83/61/556178361.db2.gz XPHYTMLMVIHPDX-QIPHDZALSA-N 0 0 426.519 2.565 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000008451311 556181896 /nfs/dbraw/zinc/18/18/96/556181896.db2.gz LQRNSHULXFSFPP-CNSVBDKNSA-N 0 0 449.532 2.592 50 0 IFAARN CCNC(=O)C[C@H]1C(=O)N(c2ccc(C)cc2)C(=O)N1CCc1ccc(OC)c(OC)c1 ZINC000008680393 556198866 /nfs/dbraw/zinc/19/88/66/556198866.db2.gz ANUWZZRTJLBHJH-IBGZPJMESA-N 0 0 439.512 2.918 50 0 IFAARN Cc1nn(C[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1C ZINC000008714476 556201820 /nfs/dbraw/zinc/20/18/20/556201820.db2.gz DOHALUOMIJAMLS-AWEZNQCLSA-N 0 0 438.981 2.631 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000008765652 556212330 /nfs/dbraw/zinc/21/23/30/556212330.db2.gz KWWOHFKDLUFRGW-CURYZJDOSA-N 0 0 434.517 2.807 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(CCOc1cccc(C)c1)C2=O ZINC000008843685 556226399 /nfs/dbraw/zinc/22/63/99/556226399.db2.gz HKPWLTTWWYTOIB-JOCHJYFZSA-N 0 0 438.509 2.576 50 0 IFAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008853721 556227506 /nfs/dbraw/zinc/22/75/06/556227506.db2.gz KMVRJCZGOYFDCE-IBGZPJMESA-N 0 0 430.482 2.954 50 0 IFAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OC)cc2)N(CCc2ccccc2)C1=S ZINC000008916100 556232799 /nfs/dbraw/zinc/23/27/99/556232799.db2.gz CNHDYFRBDBAJOQ-IBGZPJMESA-N 0 0 439.537 2.862 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000009031536 556241677 /nfs/dbraw/zinc/24/16/77/556241677.db2.gz JQIUBGNAAVPSKV-YLSHDAJPSA-N 0 0 448.585 2.942 50 0 IFAARN COc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2 ZINC000009045130 556242770 /nfs/dbraw/zinc/24/27/70/556242770.db2.gz COKJVVKMQMFDGJ-CYBMUJFWSA-N 0 0 448.566 2.805 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NC3CCCC3)CC2=O)cc1 ZINC000009095632 556246759 /nfs/dbraw/zinc/24/67/59/556246759.db2.gz VGIQLEDYAWJERS-KRWDZBQOSA-N 0 0 435.590 2.909 50 0 IFAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)oc1c3CCCC1 ZINC000009184015 556250123 /nfs/dbraw/zinc/25/01/23/556250123.db2.gz YDIQUJHZWYEIBS-CQSZACIVSA-N 0 0 443.521 2.914 50 0 IFAARN CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 ZINC000009190982 556253237 /nfs/dbraw/zinc/25/32/37/556253237.db2.gz IYLJQZGXUWORLW-QGZVFWFLSA-N 0 0 447.532 2.544 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000009226891 556260618 /nfs/dbraw/zinc/26/06/18/556260618.db2.gz YVMPTTNVINBGAI-INIZCTEOSA-N 0 0 440.525 2.598 50 0 IFAARN Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C(C)C)s1 ZINC000009227641 556261087 /nfs/dbraw/zinc/26/10/87/556261087.db2.gz QDFKTNXCQHOUSM-QGZVFWFLSA-N 0 0 440.616 2.762 50 0 IFAARN CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000009233845 556262289 /nfs/dbraw/zinc/26/22/89/556262289.db2.gz YZYJSKCVPBPPAM-CYBMUJFWSA-N 0 0 435.402 2.822 50 0 IFAARN CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000009233854 556262812 /nfs/dbraw/zinc/26/28/12/556262812.db2.gz YZYJSKCVPBPPAM-ZDUSSCGKSA-N 0 0 435.402 2.822 50 0 IFAARN COC(=O)COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br ZINC000009260466 556268037 /nfs/dbraw/zinc/26/80/37/556268037.db2.gz JAMYEDPAWUJDRJ-SXGWCWSVSA-N 0 0 445.294 2.771 50 0 IFAARN COC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O ZINC000009261175 556268962 /nfs/dbraw/zinc/26/89/62/556268962.db2.gz BQNFQRVHKWBOMD-GZTJUZNOSA-N 0 0 426.450 2.913 50 0 IFAARN Cc1ccccc1Cn1ccc(NC(=O)C2=CC(c3cccs3)=NS(=O)(=O)N2C)n1 ZINC000009290158 556273944 /nfs/dbraw/zinc/27/39/44/556273944.db2.gz DRQDGOGPNGWKCB-UHFFFAOYSA-N 0 0 441.538 2.803 50 0 IFAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N[C@H]1C=CS(=O)(=O)C1 ZINC000009302907 556275931 /nfs/dbraw/zinc/27/59/31/556275931.db2.gz LEZJLKDPMQACMM-AWEZNQCLSA-N 0 0 445.880 2.919 50 0 IFAARN O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1 ZINC000013688627 556278401 /nfs/dbraw/zinc/27/84/01/556278401.db2.gz GZUAAWHZPRMSGB-UHFFFAOYSA-N 0 0 449.960 2.886 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CC(=O)N(C)C2=O)c(OCc2ccc(Cl)cc2)c1 ZINC000013689551 556279051 /nfs/dbraw/zinc/27/90/51/556279051.db2.gz XURKHYMGBBFMFP-UHFFFAOYSA-N 0 0 437.905 2.568 50 0 IFAARN COc1ccccc1C1=N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)O1 ZINC000013691104 556280430 /nfs/dbraw/zinc/28/04/30/556280430.db2.gz IRTOZAMYBFZNBO-ATVHPVEESA-N 0 0 425.466 2.649 50 0 IFAARN COc1ccc(-c2cc3ccc(OCC(=O)NCCc4c[nH]cn4)cc3oc2=O)cc1OC ZINC000013691142 556280643 /nfs/dbraw/zinc/28/06/43/556280643.db2.gz HBEHMZIQSIOWBT-UHFFFAOYSA-N 0 0 449.463 2.938 50 0 IFAARN Cc1oc2cc(OCC(=O)N3CCNC(=O)C3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000013691438 556280987 /nfs/dbraw/zinc/28/09/87/556280987.db2.gz REWUZDBWOIQOTK-UHFFFAOYSA-N 0 0 426.856 2.759 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4OC)ccn3n2)cc1 ZINC000009321216 556281161 /nfs/dbraw/zinc/28/11/61/556281161.db2.gz CTAFCBNCSFJJBA-UHFFFAOYSA-N 0 0 432.480 2.887 50 0 IFAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 ZINC000013692574 556282251 /nfs/dbraw/zinc/28/22/51/556282251.db2.gz HONHMLFQBHZDMO-UYAOXDASSA-N 0 0 446.551 2.884 50 0 IFAARN COc1ccc(-n2c(S[C@@H](C)C(=O)N3CCOCC3)nc3ccccc3c2=O)cc1 ZINC000009348057 556283960 /nfs/dbraw/zinc/28/39/60/556283960.db2.gz FXVGUCVCQLKIEV-HNNXBMFYSA-N 0 0 425.510 2.734 50 0 IFAARN COc1ccc(-n2c(S[C@H](C)C(=O)N3CCOCC3)nc3ccccc3c2=O)cc1 ZINC000009348060 556284000 /nfs/dbraw/zinc/28/40/00/556284000.db2.gz FXVGUCVCQLKIEV-OAHLLOKOSA-N 0 0 425.510 2.734 50 0 IFAARN CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000009392289 556287531 /nfs/dbraw/zinc/28/75/31/556287531.db2.gz QOKYVFFCKGDTHG-IBGZPJMESA-N 0 0 437.543 2.568 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=S)N(C)Cc1cc2cccc3c2n(c1=O)CCC3 ZINC000013718566 556288317 /nfs/dbraw/zinc/28/83/17/556288317.db2.gz IOFMYSQRQKUCJF-KRWDZBQOSA-N 0 0 433.599 2.549 50 0 IFAARN COc1ccc(CCc2nnc3sc(CN4C(=O)c5ccccc5C4=O)nn23)cc1OC ZINC000013718399 556288360 /nfs/dbraw/zinc/28/83/60/556288360.db2.gz BFFKURAZKWAKRW-UHFFFAOYSA-N 0 0 449.492 2.784 50 0 IFAARN COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N4CCC(C(N)=O)CC4)cc3)cc2c1 ZINC000013719223 556288681 /nfs/dbraw/zinc/28/86/81/556288681.db2.gz RJOOQYCBUGQXIS-UHFFFAOYSA-N 0 0 436.464 2.571 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1 ZINC000009425919 556289868 /nfs/dbraw/zinc/28/98/68/556289868.db2.gz IGCZFSMXFVGTFR-UHFFFAOYSA-N 0 0 447.399 2.911 50 0 IFAARN Cn1c(CNC(=O)[C@H]2COc3ccccc3O2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000013721139 556290305 /nfs/dbraw/zinc/29/03/05/556290305.db2.gz HRQAAAOQZIZUIP-HXUWFJFHSA-N 0 0 432.436 2.875 50 0 IFAARN COc1cc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)ccc1O ZINC000013728443 556294154 /nfs/dbraw/zinc/29/41/54/556294154.db2.gz ALHQOFJOQVBCSN-AVRDEDQJSA-N 0 0 426.494 2.645 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)cc1 ZINC000009525817 556296020 /nfs/dbraw/zinc/29/60/20/556296020.db2.gz OEXTTXGJGITUKM-UHFFFAOYSA-N 0 0 438.889 2.644 50 0 IFAARN O=S1(=O)C[C@@H]2N=C(SCCOc3ccccc3)N(c3ccc4c(c3)OCO4)[C@H]2C1 ZINC000013731880 556296153 /nfs/dbraw/zinc/29/61/53/556296153.db2.gz MINDMHTZAPEIRD-IRXDYDNUSA-N 0 0 432.523 2.569 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1Cl ZINC000009525890 556296342 /nfs/dbraw/zinc/29/63/42/556296342.db2.gz XWILETMOSUHUIY-HNNXBMFYSA-N 0 0 443.887 2.632 50 0 IFAARN COc1cccc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)c1OC ZINC000013734045 556297169 /nfs/dbraw/zinc/29/71/69/556297169.db2.gz UASAJKZYTLTOBP-KNQAVFIVSA-N 0 0 440.521 2.948 50 0 IFAARN C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O ZINC000032744869 556299781 /nfs/dbraw/zinc/29/97/81/556299781.db2.gz IKTLKXFECZXJOP-LBPRGKRZSA-N 0 0 433.386 2.787 50 0 IFAARN CCOc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000013757615 556301153 /nfs/dbraw/zinc/30/11/53/556301153.db2.gz VLIRQRLFCISIEE-SFHVURJKSA-N 0 0 433.526 2.932 50 0 IFAARN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)c1ccc(Cl)cc1 ZINC000009591258 556301145 /nfs/dbraw/zinc/30/11/45/556301145.db2.gz JNHPKHPSBNXSAZ-ZDUSSCGKSA-N 0 0 435.263 2.913 50 0 IFAARN COC(=O)c1ccc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000032741765 556303765 /nfs/dbraw/zinc/30/37/65/556303765.db2.gz DQGKTOUZCAXUEE-GTQSFZMJSA-N 0 0 441.524 2.695 50 0 IFAARN Cc1cc(NC(=O)CSc2nnc(SCC(=O)Nc3cc(C)on3)s2)no1 ZINC000009635116 556304334 /nfs/dbraw/zinc/30/43/34/556304334.db2.gz PEUWZAAWCHVOJO-UHFFFAOYSA-N 0 0 426.505 2.593 50 0 IFAARN C[C@@H]1CCc2c(sc3ncn(CC(=O)NC[C@H]4COc5ccccc5O4)c(=O)c32)C1 ZINC000032736385 556306234 /nfs/dbraw/zinc/30/62/34/556306234.db2.gz WXYDNHADYYXZDK-KGLIPLIRSA-N 0 0 425.510 2.539 50 0 IFAARN CCOC(=O)[C@@](NC(=O)Nc1ccc(C(=O)OC)cc1)(OCC(F)(F)F)C(F)(F)F ZINC000013774132 556306693 /nfs/dbraw/zinc/30/66/93/556306693.db2.gz AUEUAKDECYPVBD-OAHLLOKOSA-N 0 0 446.300 2.995 50 0 IFAARN CCCCOc1ccc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1OC ZINC000013786189 556309166 /nfs/dbraw/zinc/30/91/66/556309166.db2.gz NTUBEWDNTCKJHD-RGEXLXHISA-N 0 0 435.505 2.913 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000013799096 556309822 /nfs/dbraw/zinc/30/98/22/556309822.db2.gz NFRXXSPDCITWPY-XYSGSMRZSA-N 0 0 440.546 2.868 50 0 IFAARN CCOC(=O)C1CCN([C@H](C)C(=O)Nc2c(C(=O)OC)[nH]c3cccc(OC)c32)CC1 ZINC000013806245 556311126 /nfs/dbraw/zinc/31/11/26/556311126.db2.gz JGLMKHSAWNXELS-CYBMUJFWSA-N 0 0 431.489 2.565 50 0 IFAARN CCCCn1c2sc3c(c2c(=O)n(-c2ccc(OC)cc2)c1=O)CCN(C(C)=O)C3 ZINC000009830596 556311418 /nfs/dbraw/zinc/31/14/18/556311418.db2.gz PMNASYFNKHTFRH-UHFFFAOYSA-N 0 0 427.526 2.927 50 0 IFAARN COc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3c(C)cccc3C)c2=O)cc1 ZINC000009830959 556312000 /nfs/dbraw/zinc/31/20/00/556312000.db2.gz JKXWJRYUCZDNFD-UHFFFAOYSA-N 0 0 444.491 2.871 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccccc2SC[C@@H]2CCCO2)NC(=O)N[C@@H]1C ZINC000032747089 556315598 /nfs/dbraw/zinc/31/55/98/556315598.db2.gz HCUCHQZEOIBPPC-KGLIPLIRSA-N 0 0 434.514 2.633 50 0 IFAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC000032747275 556315670 /nfs/dbraw/zinc/31/56/70/556315670.db2.gz ZFKWMGOHZHERLA-HXUWFJFHSA-N 0 0 430.464 2.641 50 0 IFAARN C[C@H](C(=O)OCc1cc(=O)n2ccccc2n1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000032747224 556315700 /nfs/dbraw/zinc/31/57/00/556315700.db2.gz NOHWCFZVKAFVPO-SNVBAGLBSA-N 0 0 446.246 2.729 50 0 IFAARN COCCN1C(=O)N(c2cccc(C)c2)C(=O)[C@@H]1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000009934316 556318180 /nfs/dbraw/zinc/31/81/80/556318180.db2.gz NLXYBYSMVNMXGT-FQEVSTJZSA-N 0 0 441.484 2.825 50 0 IFAARN CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000009985712 556320244 /nfs/dbraw/zinc/32/02/44/556320244.db2.gz PRJXZPKOLWMXSW-MFOYZWKCSA-N 0 0 442.269 2.677 50 0 IFAARN CCOCCCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(F)cc2)CC1 ZINC000065075376 556322119 /nfs/dbraw/zinc/32/21/19/556322119.db2.gz IIMMRFFCFFVDKG-UHFFFAOYSA-N 0 0 440.523 2.813 50 0 IFAARN COc1ccc(-c2nc(C)c(C(=O)NCc3cccc(NS(N)(=O)=O)c3)s2)cc1 ZINC000032754056 556323137 /nfs/dbraw/zinc/32/31/37/556323137.db2.gz NRQDOWDPUJILNA-UHFFFAOYSA-N 0 0 432.527 2.673 50 0 IFAARN CC1(C)NC(=O)N(CCCC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)C1=O ZINC000032753658 556323201 /nfs/dbraw/zinc/32/32/01/556323201.db2.gz OPKCJLDEIHZISN-UHFFFAOYSA-N 0 0 427.530 2.755 50 0 IFAARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)O[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000032776484 556326480 /nfs/dbraw/zinc/32/64/80/556326480.db2.gz NPUHROPIDMXLLJ-WFASDCNBSA-N 0 0 426.469 2.764 50 0 IFAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc(OC)c(OC)c2)n2nnnc2N3)cc1 ZINC000010295500 556329700 /nfs/dbraw/zinc/32/97/00/556329700.db2.gz NWKSYBJSCQKCMU-IBGZPJMESA-N 0 0 433.428 2.556 50 0 IFAARN CCOc1cc([C@H]2c3c(-c4ccc(OC)cc4)n[nH]c(=O)c3Nc3nnnn32)ccc1O ZINC000010295582 556329714 /nfs/dbraw/zinc/32/97/14/556329714.db2.gz HRUITNRAKISRKM-IBGZPJMESA-N 0 0 433.428 2.643 50 0 IFAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2cc(OC)ccc2OC)n2nnnc2N3)cc1 ZINC000010295530 556329719 /nfs/dbraw/zinc/32/97/19/556329719.db2.gz RMTIIZYONCBSLU-IBGZPJMESA-N 0 0 433.428 2.556 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 ZINC000032768941 556333494 /nfs/dbraw/zinc/33/34/94/556333494.db2.gz QKIYSMMQSBUMHN-UHFFFAOYSA-N 0 0 441.557 2.874 50 0 IFAARN CN(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000013930299 556334573 /nfs/dbraw/zinc/33/45/73/556334573.db2.gz SGIWWTBTKFSKCU-HNNXBMFYSA-N 0 0 448.595 2.733 50 0 IFAARN COCCn1c(C)cc(C(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c1C ZINC000004327541 556337276 /nfs/dbraw/zinc/33/72/76/556337276.db2.gz QAUQXXRVXYHXLM-UHFFFAOYSA-N 0 0 430.545 2.810 50 0 IFAARN O=C(CCc1nc(-c2ccsc2)no1)O[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000032776334 556337348 /nfs/dbraw/zinc/33/73/48/556337348.db2.gz MBISWKGJCSQVQZ-IBGZPJMESA-N 0 0 427.482 2.874 50 0 IFAARN CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(OC)cc34)C2)s1 ZINC000013944699 556342058 /nfs/dbraw/zinc/34/20/58/556342058.db2.gz ALDHYAJKZWULKI-CQSZACIVSA-N 0 0 443.529 2.594 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)NC[C@H](c1ccccc1)N1CCOCC1)CC2 ZINC000032779743 556344928 /nfs/dbraw/zinc/34/49/28/556344928.db2.gz KVYZLTGQOMEOOY-OAQYLSRUSA-N 0 0 425.529 2.845 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCN1CCSC1=O ZINC000032784690 556349990 /nfs/dbraw/zinc/34/99/90/556349990.db2.gz CMEHGTVAPDLESD-UHFFFAOYSA-N 0 0 441.575 2.757 50 0 IFAARN CCCCn1c2ncn(C3CCCC3)c2c(=O)n(Cc2cc(=O)n3cccc(C)c3n2)c1=O ZINC000032789162 556350792 /nfs/dbraw/zinc/35/07/92/556350792.db2.gz MGNBDELAZLXQCD-UHFFFAOYSA-N 0 0 448.527 2.640 50 0 IFAARN O=C(Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O)NCCc1ccccc1 ZINC000013992386 556353095 /nfs/dbraw/zinc/35/30/95/556353095.db2.gz YFZVTMPOWYMNMB-UHFFFAOYSA-N 0 0 427.504 2.765 50 0 IFAARN CCN(C[C@H]1CCCO1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000011786359 556353546 /nfs/dbraw/zinc/35/35/46/556353546.db2.gz MXVSVYBLWLOAPC-ATIYNZHBSA-N 0 0 449.551 2.739 50 0 IFAARN CCC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)C1 ZINC000011791317 556356084 /nfs/dbraw/zinc/35/60/84/556356084.db2.gz OGUGCHVWEFRTSG-RXFWQSSRSA-N 0 0 447.535 2.886 50 0 IFAARN CC(C)C[C@H](NC(=O)c1cc(Cl)ccn1)C(=O)OCN1C(=O)c2ccccc2C1=O ZINC000014018951 556356320 /nfs/dbraw/zinc/35/63/20/556356320.db2.gz MEDOMKCHDMBWEL-KRWDZBQOSA-N 0 0 429.860 2.676 50 0 IFAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)Cn2nccc2C)cc1OCC1(C)COC1 ZINC000011814373 556357596 /nfs/dbraw/zinc/35/75/96/556357596.db2.gz MBKUQFYQLOHVGY-HXUWFJFHSA-N 0 0 443.544 2.823 50 0 IFAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCN3CCCCO3)C2)c(OC)c1 ZINC000011814928 556357953 /nfs/dbraw/zinc/35/79/53/556357953.db2.gz DQDXTNLPVSVKGL-IBGZPJMESA-N 0 0 447.576 2.756 50 0 IFAARN O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CCN(c2ccccn2)CC1 ZINC000011817497 556360117 /nfs/dbraw/zinc/36/01/17/556360117.db2.gz RVKVOMSJLUYJAG-UHFFFAOYSA-N 0 0 434.540 2.824 50 0 IFAARN CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000014076517 556362095 /nfs/dbraw/zinc/36/20/95/556362095.db2.gz RQAFZFQJTUXZKS-HXUWFJFHSA-N 0 0 449.916 2.642 50 0 IFAARN CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000014076514 556362110 /nfs/dbraw/zinc/36/21/10/556362110.db2.gz RQAFZFQJTUXZKS-FQEVSTJZSA-N 0 0 449.916 2.642 50 0 IFAARN O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000011838296 556363313 /nfs/dbraw/zinc/36/33/13/556363313.db2.gz DJJSPIIZYJGPGR-HXUWFJFHSA-N 0 0 425.573 2.866 50 0 IFAARN O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000011838295 556363344 /nfs/dbraw/zinc/36/33/44/556363344.db2.gz DJJSPIIZYJGPGR-FQEVSTJZSA-N 0 0 425.573 2.866 50 0 IFAARN O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000014084240 556363972 /nfs/dbraw/zinc/36/39/72/556363972.db2.gz YXBWFUPRTVPTRE-QGZVFWFLSA-N 0 0 443.525 2.523 50 0 IFAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000014093563 556366101 /nfs/dbraw/zinc/36/61/01/556366101.db2.gz FZRFETJAURJFRJ-UHFFFAOYSA-N 0 0 444.388 2.818 50 0 IFAARN COc1cccc(N2CCN(C(=O)c3cn(Cc4cccc5ccccc54)nn3)CC2=O)c1 ZINC000011843483 556366711 /nfs/dbraw/zinc/36/67/11/556366711.db2.gz OBEIBBWFWMESIV-UHFFFAOYSA-N 0 0 441.491 2.977 50 0 IFAARN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 ZINC000014095010 556366968 /nfs/dbraw/zinc/36/69/68/556366968.db2.gz NSIJDFXFCREITM-QGZVFWFLSA-N 0 0 426.498 2.537 50 0 IFAARN CCOC(=O)C1=C(CSc2nnnn2C2CCCC2)NC(=O)N[C@@H]1c1cccs1 ZINC000032805955 556368092 /nfs/dbraw/zinc/36/80/92/556368092.db2.gz TVIFFJFEJDAXEE-OAHLLOKOSA-N 0 0 434.547 2.813 50 0 IFAARN CCc1oc2ccccc2c1CN(C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000032806079 556368117 /nfs/dbraw/zinc/36/81/17/556368117.db2.gz MDZSNUVYTCVLQD-UHFFFAOYSA-N 0 0 426.517 2.959 50 0 IFAARN COc1ccc(-c2noc(CN3CCC(C(=O)N4CCCCC4)CC3)n2)c(OC)c1OC ZINC000011880066 556372165 /nfs/dbraw/zinc/37/21/65/556372165.db2.gz SGXQDAOGISGAEP-UHFFFAOYSA-N 0 0 444.532 2.987 50 0 IFAARN COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@@H](C)n2nc(C)cc2C)C3)nn1 ZINC000011880459 556372573 /nfs/dbraw/zinc/37/25/73/556372573.db2.gz RMXOFXGSIGHYAN-RHSMWYFYSA-N 0 0 425.464 2.786 50 0 IFAARN O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NC[C@H]1CCc2ccccc2O1 ZINC000011882093 556373698 /nfs/dbraw/zinc/37/36/98/556373698.db2.gz BGJMUVUEOOGPKS-CLOONOSVSA-N 0 0 436.508 2.897 50 0 IFAARN Cc1ccccc1[C@@]1(CC(=O)N2CCCC[C@H]2CO)CC(=O)N(Cc2ccccc2)C1=O ZINC000011909150 556374379 /nfs/dbraw/zinc/37/43/79/556374379.db2.gz QYPRADZMHSPECT-HFZDXXHNSA-N 0 0 434.536 2.955 50 0 IFAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000014136790 556375485 /nfs/dbraw/zinc/37/54/85/556375485.db2.gz OGWYVQXAGZNCQQ-GASCZTMLSA-N 0 0 431.514 2.695 50 0 IFAARN O=C(CCc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000014140472 556376550 /nfs/dbraw/zinc/37/65/50/556376550.db2.gz FEDDBWDYWZPQLA-UHFFFAOYSA-N 0 0 433.530 2.901 50 0 IFAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000014141836 556376800 /nfs/dbraw/zinc/37/68/00/556376800.db2.gz VCTLGOGINAZUAP-UHFFFAOYSA-N 0 0 438.709 2.929 50 0 IFAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1Br ZINC000014163053 556379068 /nfs/dbraw/zinc/37/90/68/556379068.db2.gz UBBPIINIEUZIFN-MRXNPFEDSA-N 0 0 437.315 2.993 50 0 IFAARN Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)COc3ccc(Br)cc3)C2=O)cc1 ZINC000014167094 556380076 /nfs/dbraw/zinc/38/00/76/556380076.db2.gz QOJUCBGVWNIPGE-UZLBHIALSA-N 0 0 433.302 2.964 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000014169997 556381230 /nfs/dbraw/zinc/38/12/30/556381230.db2.gz PFPDPFBDGFQVRX-UHFFFAOYSA-N 0 0 439.921 2.896 50 0 IFAARN O=C(CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1)N1CCCC1 ZINC000014170863 556381482 /nfs/dbraw/zinc/38/14/82/556381482.db2.gz DNIZTRGIDZZOEL-UHFFFAOYSA-N 0 0 449.580 2.981 50 0 IFAARN Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1ccc(F)cc1F)CC2 ZINC000011971882 556382445 /nfs/dbraw/zinc/38/24/45/556382445.db2.gz LKDXZCRDZQEJQG-UKINESCASA-N 0 0 430.455 2.957 50 0 IFAARN Cc1sc2ncnc(SCC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)c2c1C ZINC000014183334 556383418 /nfs/dbraw/zinc/38/34/18/556383418.db2.gz ZCHLMKGFEHDWRV-UHFFFAOYSA-N 0 0 447.630 2.557 50 0 IFAARN CCCn1c2ccccc2n(CC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c1=O ZINC000014186127 556386168 /nfs/dbraw/zinc/38/61/68/556386168.db2.gz CMQZYSYGNPHYQN-UHFFFAOYSA-N 0 0 427.457 2.656 50 0 IFAARN COc1cccc(N2C(=O)C(=O)N(CN3CCC(c4nc5ccccc5o4)CC3)C2=O)c1 ZINC000014189471 556387267 /nfs/dbraw/zinc/38/72/67/556387267.db2.gz LUARRNJDJOADRX-UHFFFAOYSA-N 0 0 434.452 2.969 50 0 IFAARN Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1cc(F)cc(F)c1)CC2 ZINC000012026781 556387827 /nfs/dbraw/zinc/38/78/27/556387827.db2.gz HNHIPCFAFNJPIW-OAJJDEHYSA-N 0 0 430.455 2.957 50 0 IFAARN Cc1cc(C)n(-c2ccc(Cn3c(=O)c4ccc(C(F)(F)F)nc4n(C)c3=O)cc2)n1 ZINC000032815487 556388051 /nfs/dbraw/zinc/38/80/51/556388051.db2.gz DRAOEERXUBLFGW-UHFFFAOYSA-N 0 0 429.402 2.965 50 0 IFAARN O=C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1F ZINC000014200427 556390868 /nfs/dbraw/zinc/39/08/68/556390868.db2.gz BCOLBCVEYVYSCQ-UHFFFAOYSA-N 0 0 437.393 2.850 50 0 IFAARN COC(=O)c1cc(CNC(=O)Cc2ccsc2)cc(NC(=O)c2cc(C)nn2C)c1 ZINC000012042097 556390989 /nfs/dbraw/zinc/39/09/89/556390989.db2.gz PKQGQRMRBIQVED-UHFFFAOYSA-N 0 0 426.498 2.688 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)N2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)cc1 ZINC000014201240 556391758 /nfs/dbraw/zinc/39/17/58/556391758.db2.gz WCGKVLMOLPPTBE-UHFFFAOYSA-N 0 0 445.372 2.638 50 0 IFAARN CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2cnn4cccnc24)C3)cc1 ZINC000012049552 556392060 /nfs/dbraw/zinc/39/20/60/556392060.db2.gz CAOPDKMWZGCPRZ-QGZVFWFLSA-N 0 0 448.504 2.533 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000032809395 556394051 /nfs/dbraw/zinc/39/40/51/556394051.db2.gz IKGQDVYUSWXRCM-VXKWHMMOSA-N 0 0 434.496 2.971 50 0 IFAARN O=c1c2ccccc2nc(CN2CCOCC2)n1C[C@@H](O)c1cccc(Br)c1 ZINC000032810177 556395483 /nfs/dbraw/zinc/39/54/83/556395483.db2.gz REHJHZWUZJCBEF-LJQANCHMSA-N 0 0 444.329 2.725 50 0 IFAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(O)c1)N([C@@H]1CCS(=O)(=O)C1)C3=O ZINC000012062826 556395668 /nfs/dbraw/zinc/39/56/68/556395668.db2.gz UVLBSEUMLIHOGL-QRWLVFNGSA-N 0 0 439.489 2.848 50 0 IFAARN O=C(CCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000014228640 556396043 /nfs/dbraw/zinc/39/60/43/556396043.db2.gz GPUCWSKDDHWJFB-JOCHJYFZSA-N 0 0 440.565 2.648 50 0 IFAARN CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1 ZINC000014236169 556399413 /nfs/dbraw/zinc/39/94/13/556399413.db2.gz FDBMWSMNQQWIRY-UHFFFAOYSA-N 0 0 430.452 2.891 50 0 IFAARN O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000032814347 556399619 /nfs/dbraw/zinc/39/96/19/556399619.db2.gz IGHBFYPAQMRTHP-UHFFFAOYSA-N 0 0 427.360 2.576 50 0 IFAARN Cn1c(CCC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)nc2ccccc2c1=O ZINC000014237686 556399952 /nfs/dbraw/zinc/39/99/52/556399952.db2.gz WOFJNRZYXIXPKH-UHFFFAOYSA-N 0 0 447.564 2.820 50 0 IFAARN CN(Cc1ccc2c(c1)OCCO2)CN1C(=O)C(=O)N(CCC2(Cl)CCCCC2)C1=O ZINC000014241732 556402340 /nfs/dbraw/zinc/40/23/40/556402340.db2.gz ZQVNSMQOWFTKRG-UHFFFAOYSA-N 0 0 449.935 2.970 50 0 IFAARN C[C@@H](Sc1nnc([C@H]2COc3ccccc3O2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000014242200 556402622 /nfs/dbraw/zinc/40/26/22/556402622.db2.gz HZXFTRMLWJWNDX-QLJPJBMISA-N 0 0 439.453 2.871 50 0 IFAARN CCOc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1 ZINC000064611078 556402986 /nfs/dbraw/zinc/40/29/86/556402986.db2.gz HHVXAPCJWPJRRQ-UHFFFAOYSA-N 0 0 437.475 2.840 50 0 IFAARN CN(CC(=O)NCc1ccco1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000014244197 556403890 /nfs/dbraw/zinc/40/38/90/556403890.db2.gz SDYHKKZXOXLCSP-UHFFFAOYSA-N 0 0 445.472 2.608 50 0 IFAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)Cc2cnc3ncnn3c2)CC1 ZINC000012429467 556404455 /nfs/dbraw/zinc/40/44/55/556404455.db2.gz ZEZFAVHWBJUTAI-UHFFFAOYSA-N 0 0 435.528 2.862 50 0 IFAARN COc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OCC(=O)N1CCOCC1 ZINC000014244967 556404713 /nfs/dbraw/zinc/40/47/13/556404713.db2.gz UGRASHWVZJVPHX-UYRXBGFRSA-N 0 0 436.464 2.586 50 0 IFAARN Cc1nc(CSCC(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000014245308 556405041 /nfs/dbraw/zinc/40/50/41/556405041.db2.gz HJRNNVRBVNFXHM-SFHVURJKSA-N 0 0 439.006 2.709 50 0 IFAARN Cc1nc(CSCC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000014245307 556405086 /nfs/dbraw/zinc/40/50/86/556405086.db2.gz HJRNNVRBVNFXHM-GOSISDBHSA-N 0 0 439.006 2.709 50 0 IFAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCCCN4CCOCC4)cc3)n2)cc1 ZINC000032579086 556406372 /nfs/dbraw/zinc/40/63/72/556406372.db2.gz IMSXFZGVQZNEDD-UHFFFAOYSA-N 0 0 436.512 2.929 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000014246320 556406310 /nfs/dbraw/zinc/40/63/10/556406310.db2.gz ZAMJRJFWPWJZTQ-JOCHJYFZSA-N 0 0 427.570 2.711 50 0 IFAARN COc1ccc(F)cc1COC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000014246855 556406816 /nfs/dbraw/zinc/40/68/16/556406816.db2.gz KFZYNOPDMQMXMQ-AWEZNQCLSA-N 0 0 432.473 2.739 50 0 IFAARN Nc1nc(COC(=O)CCn2c(=O)oc3ccccc32)nc(Nc2ccc(Cl)cc2)n1 ZINC000014247154 556407114 /nfs/dbraw/zinc/40/71/14/556407114.db2.gz FVNIGLJYBFXMHU-UHFFFAOYSA-N 0 0 440.847 2.892 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1)N1CCCCC1 ZINC000032823649 556408313 /nfs/dbraw/zinc/40/83/13/556408313.db2.gz BRTDQTTVMVJFOB-UHFFFAOYSA-N 0 0 434.540 2.709 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000014249405 556408333 /nfs/dbraw/zinc/40/83/33/556408333.db2.gz CSHTVGMTOURERI-UHFFFAOYSA-N 0 0 425.894 2.614 50 0 IFAARN CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OC ZINC000012651079 556409098 /nfs/dbraw/zinc/40/90/98/556409098.db2.gz IOBDOUSJWKPYLX-UHFFFAOYSA-N 0 0 437.949 2.609 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)NC3CCCC3)CC2)cc1C ZINC000014253793 556410084 /nfs/dbraw/zinc/41/00/84/556410084.db2.gz NSJHCYQMDHIITF-KRWDZBQOSA-N 0 0 436.574 2.695 50 0 IFAARN O=C(c1cc(=O)c2cc(Br)ccc2o1)N1CCN(Cc2ccncc2)CC1 ZINC000032624023 556411174 /nfs/dbraw/zinc/41/11/74/556411174.db2.gz IQTQSWXISFAZQM-UHFFFAOYSA-N 0 0 428.286 2.909 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(c3cc(=O)n4nccc4n3C)CC2)c1C ZINC000065168465 556413905 /nfs/dbraw/zinc/41/39/05/556413905.db2.gz LMSLKVPRDYHVES-UHFFFAOYSA-N 0 0 428.558 2.835 50 0 IFAARN O=C(CSc1nnc(COc2ccc(F)cc2)o1)NC[C@@H]1COc2ccccc2O1 ZINC000032671943 556414441 /nfs/dbraw/zinc/41/44/41/556414441.db2.gz JMEPINOVXHJWBR-OAHLLOKOSA-N 0 0 431.445 2.836 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)cc1 ZINC000014402239 556415265 /nfs/dbraw/zinc/41/52/65/556415265.db2.gz ACRCYWJAAWBEBK-LJQANCHMSA-N 0 0 428.489 2.519 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)cc1 ZINC000014402237 556415432 /nfs/dbraw/zinc/41/54/32/556415432.db2.gz ACRCYWJAAWBEBK-IBGZPJMESA-N 0 0 428.489 2.519 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1cc(C(C)=O)ccc1OC ZINC000032675780 556415611 /nfs/dbraw/zinc/41/56/11/556415611.db2.gz IQOGYNRRTMFYJC-UHFFFAOYSA-N 0 0 426.469 2.699 50 0 IFAARN O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000032676087 556415922 /nfs/dbraw/zinc/41/59/22/556415922.db2.gz MLUSKKPHYPJWNG-IBGZPJMESA-N 0 0 439.943 2.716 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(F)c(Cl)c1 ZINC000012936648 556416503 /nfs/dbraw/zinc/41/65/03/556416503.db2.gz ZJDOSGUUSVQHKX-UHFFFAOYSA-N 0 0 428.869 2.948 50 0 IFAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000032830207 556416829 /nfs/dbraw/zinc/41/68/29/556416829.db2.gz OHGUBMRUFZCUEK-UHFFFAOYSA-N 0 0 445.570 2.622 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cccnc2Oc2ccccc2)NC(=O)N[C@H]1CC ZINC000032666192 556417587 /nfs/dbraw/zinc/41/75/87/556417587.db2.gz BGWNDRQHPHMGCX-INIZCTEOSA-N 0 0 425.441 2.939 50 0 IFAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000032668406 556418119 /nfs/dbraw/zinc/41/81/19/556418119.db2.gz CBKOXNNZOZDDOO-OAHLLOKOSA-N 0 0 440.481 2.752 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c(C)c1 ZINC000012973232 556419694 /nfs/dbraw/zinc/41/96/94/556419694.db2.gz DUFWEMWGHDTKPL-UHFFFAOYSA-N 0 0 430.505 2.999 50 0 IFAARN CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)[C@@H]2COc3ccccc3C2)CC1=O ZINC000014533099 556421660 /nfs/dbraw/zinc/42/16/60/556421660.db2.gz JDYLOOBSIMBIJG-VXKWHMMOSA-N 0 0 437.540 2.545 50 0 IFAARN C[C@@H](NC(=O)c1nn(CCO)c2c1CN(Cc1cccc3c1OCO3)CC2)c1ccccc1 ZINC000014534184 556422158 /nfs/dbraw/zinc/42/21/58/556422158.db2.gz QFIXSJQYBJDRRF-QGZVFWFLSA-N 0 0 448.523 2.653 50 0 IFAARN O=C(N[C@@H]1CCSc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000012977132 556422504 /nfs/dbraw/zinc/42/25/04/556422504.db2.gz ZPBPYCIKJSMQNZ-GOSISDBHSA-N 0 0 436.530 2.814 50 0 IFAARN COc1ccc(CC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c(OC)c1 ZINC000012981090 556424460 /nfs/dbraw/zinc/42/44/60/556424460.db2.gz YIIPZFSOVCGZSG-UHFFFAOYSA-N 0 0 431.920 2.683 50 0 IFAARN COc1ccccc1CNC(=O)CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000032679550 556424871 /nfs/dbraw/zinc/42/48/71/556424871.db2.gz GGYYXOJLXCWOIV-UHFFFAOYSA-N 0 0 438.391 2.953 50 0 IFAARN COc1ccc(CN2C[C@H](OCc3cccnc3)CN(C(=O)c3ccccn3)CC2=O)cc1 ZINC000014542416 556426190 /nfs/dbraw/zinc/42/61/90/556426190.db2.gz UFYQCAGDZGESAO-QFIPXVFZSA-N 0 0 446.507 2.555 50 0 IFAARN O=C(c1cc(C2CC2)n[nH]1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 ZINC000014542869 556426515 /nfs/dbraw/zinc/42/65/15/556426515.db2.gz FPLGQZQBLCUFCI-FQEVSTJZSA-N 0 0 437.544 2.885 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000014574413 556427078 /nfs/dbraw/zinc/42/70/78/556427078.db2.gz BXOOHUJFIJRRTN-UHFFFAOYSA-N 0 0 429.358 2.911 50 0 IFAARN NS(=O)(=O)c1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c(Cl)cc1Cl ZINC000012986896 556427289 /nfs/dbraw/zinc/42/72/89/556427289.db2.gz QFHISBYRFBNPNP-UHFFFAOYSA-N 0 0 442.324 2.919 50 0 IFAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c(C)c1 ZINC000012987171 556427748 /nfs/dbraw/zinc/42/77/48/556427748.db2.gz IMCPQRSGNSMFOS-UHFFFAOYSA-N 0 0 429.542 2.645 50 0 IFAARN C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)C[C@H](C)O1 ZINC000012989292 556428181 /nfs/dbraw/zinc/42/81/81/556428181.db2.gz NKJIZXGPCKTTOV-HOTGVXAUSA-N 0 0 446.507 2.844 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000032843034 556428202 /nfs/dbraw/zinc/42/82/02/556428202.db2.gz WGHDEEWAECJISX-QHCPKHFHSA-N 0 0 432.524 2.636 50 0 IFAARN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)C[C@H](C)O1 ZINC000012989288 556428239 /nfs/dbraw/zinc/42/82/39/556428239.db2.gz NKJIZXGPCKTTOV-IYBDPMFKSA-N 0 0 446.507 2.844 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000012991610 556428689 /nfs/dbraw/zinc/42/86/89/556428689.db2.gz QDQZUUOBARRFQZ-SDOQWUHBSA-N 0 0 445.629 2.775 50 0 IFAARN COc1ccccc1N1CCN(C(=O)NC[C@H](c2cccs2)N2CCOCC2)CC1 ZINC000032843789 556428798 /nfs/dbraw/zinc/42/87/98/556428798.db2.gz IAWIACCGFICMBH-LJQANCHMSA-N 0 0 430.574 2.662 50 0 IFAARN Cc1nn(CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(=S)s1 ZINC000012993405 556429478 /nfs/dbraw/zinc/42/94/78/556429478.db2.gz IIQGGLJUPMJUGA-UHFFFAOYSA-N 0 0 438.522 2.965 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2noc(-c3ccc(F)cc3)c2C)CC1 ZINC000012993719 556429721 /nfs/dbraw/zinc/42/97/21/556429721.db2.gz FNOOEDUDXAITBI-UHFFFAOYSA-N 0 0 434.493 2.900 50 0 IFAARN O=C(N1CCN(c2ncccn2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000032847787 556430296 /nfs/dbraw/zinc/43/02/96/556430296.db2.gz YCKPTUDCLBWOOW-UHFFFAOYSA-N 0 0 434.949 2.565 50 0 IFAARN O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1 ZINC000012995304 556430582 /nfs/dbraw/zinc/43/05/82/556430582.db2.gz RVMHZVWBDDDDGT-OAHLLOKOSA-N 0 0 427.320 2.670 50 0 IFAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc2c(c1)OCCO2 ZINC000012995586 556430724 /nfs/dbraw/zinc/43/07/24/556430724.db2.gz VZYYNGIULFODIY-HNNXBMFYSA-N 0 0 448.516 2.875 50 0 IFAARN O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012995630 556430750 /nfs/dbraw/zinc/43/07/50/556430750.db2.gz UWVUZLWPUUIUEI-UHFFFAOYSA-N 0 0 436.892 2.788 50 0 IFAARN CN(C)[C@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccccc1Cl ZINC000032855981 556433324 /nfs/dbraw/zinc/43/33/24/556433324.db2.gz XOUQIRBNSHDJFG-QGZVFWFLSA-N 0 0 430.979 2.862 50 0 IFAARN O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccc(Cn2cncn2)cc1 ZINC000032855873 556433437 /nfs/dbraw/zinc/43/34/37/556433437.db2.gz RYZOUBQRIPVGIL-UHFFFAOYSA-N 0 0 442.317 2.525 50 0 IFAARN COc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC000013002515 556433858 /nfs/dbraw/zinc/43/38/58/556433858.db2.gz QUSFOQFLWOTENE-MRXNPFEDSA-N 0 0 429.904 2.794 50 0 IFAARN CCn1c(=O)c2sccc2nc1SCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000027850797 556434301 /nfs/dbraw/zinc/43/43/01/556434301.db2.gz JQRLVLZLBAYQNN-UHFFFAOYSA-N 0 0 428.583 2.914 50 0 IFAARN O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000013013174 556436227 /nfs/dbraw/zinc/43/62/27/556436227.db2.gz VNPKOTMPSQAWSF-SFHVURJKSA-N 0 0 445.229 2.822 50 0 IFAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)NCCN1C(=O)CSC1=O ZINC000013014708 556436959 /nfs/dbraw/zinc/43/69/59/556436959.db2.gz XNLYPMNXMLITMN-UHFFFAOYSA-N 0 0 430.433 2.552 50 0 IFAARN CSc1cccc(CN2CCN3C(=O)[C@H]([C@@H](C)OCc4ccccc4)NC(=O)[C@H]3C2)c1 ZINC000014732230 556437229 /nfs/dbraw/zinc/43/72/29/556437229.db2.gz CAFVLSVUZZMJEG-YHYVQYDKSA-N 0 0 439.581 2.525 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)n2C)cc1 ZINC000013017769 556438606 /nfs/dbraw/zinc/43/86/06/556438606.db2.gz QXGCLKADUDGAOG-UHFFFAOYSA-N 0 0 442.541 2.535 50 0 IFAARN CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cn3ccccc3n1)CC2 ZINC000014741258 556438789 /nfs/dbraw/zinc/43/87/89/556438789.db2.gz ROLYNKFKMKQULS-UHFFFAOYSA-N 0 0 435.406 2.858 50 0 IFAARN Cc1ccc(C(=O)CSc2nc(=O)n([C@H]3CCS(=O)(=O)C3)c3c2CCC3)cc1F ZINC000027991889 556439960 /nfs/dbraw/zinc/43/99/60/556439960.db2.gz DGUZQEVSBHRCPK-AWEZNQCLSA-N 0 0 436.530 2.514 50 0 IFAARN Cc1ccc(C(=O)CSc2nc(=O)n([C@@H]3CCS(=O)(=O)C3)c3c2CCC3)cc1F ZINC000027991882 556440078 /nfs/dbraw/zinc/44/00/78/556440078.db2.gz DGUZQEVSBHRCPK-CQSZACIVSA-N 0 0 436.530 2.514 50 0 IFAARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000027996013 556441363 /nfs/dbraw/zinc/44/13/63/556441363.db2.gz KSNRNEPTXPRUBE-UHFFFAOYSA-N 0 0 445.907 2.992 50 0 IFAARN COC(=O)c1sccc1S(=O)(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000028057201 556443211 /nfs/dbraw/zinc/44/32/11/556443211.db2.gz AHFXUYBPWYDHCF-UHFFFAOYSA-N 0 0 443.856 2.992 50 0 IFAARN CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2 ZINC000014751316 556443681 /nfs/dbraw/zinc/44/36/81/556443681.db2.gz JUZQGLOQKBANJQ-GOSISDBHSA-N 0 0 446.507 2.639 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2CCc3ccccc3C2)c1 ZINC000013038825 556444747 /nfs/dbraw/zinc/44/47/47/556444747.db2.gz QFLPPURWWNODLY-UHFFFAOYSA-N 0 0 431.558 2.723 50 0 IFAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN2C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]2C1 ZINC000014754751 556444714 /nfs/dbraw/zinc/44/47/14/556444714.db2.gz YYOTYTOXEXPGNI-DNQXCXABSA-N 0 0 439.515 2.748 50 0 IFAARN CCOC(=O)C1=C(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)NC(=O)N[C@H]1C ZINC000013039740 556445667 /nfs/dbraw/zinc/44/56/67/556445667.db2.gz LXPACDAVPOEDLK-LBPRGKRZSA-N 0 0 444.561 2.567 50 0 IFAARN COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)n2)c1 ZINC000014791391 556445745 /nfs/dbraw/zinc/44/57/45/556445745.db2.gz LUIRGRRWBQZTIC-ZIAGYGMSSA-N 0 0 427.482 2.717 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)c1cccs1 ZINC000013040300 556445911 /nfs/dbraw/zinc/44/59/11/556445911.db2.gz ORZXHYIMFIFNIM-CQSZACIVSA-N 0 0 427.979 2.585 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)nc4ccccc43)CC2)c1 ZINC000032859727 556446213 /nfs/dbraw/zinc/44/62/13/556446213.db2.gz JCQUESSVHVCGLE-UHFFFAOYSA-N 0 0 437.521 2.893 50 0 IFAARN CCOC(=O)Cc1nnc(SCC(=O)N2CCc3ccccc3C2)n1Cc1ccco1 ZINC000028232993 556446603 /nfs/dbraw/zinc/44/66/03/556446603.db2.gz RJBOVBBBNVJUKV-UHFFFAOYSA-N 0 0 440.525 2.702 50 0 IFAARN C[C@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1CCCc2ccccc21 ZINC000032860350 556447162 /nfs/dbraw/zinc/44/71/62/556447162.db2.gz FMPRJSSESWYPKG-INIZCTEOSA-N 0 0 428.510 2.751 50 0 IFAARN CCn1c(CCC(=O)NCc2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013041119 556447145 /nfs/dbraw/zinc/44/71/45/556447145.db2.gz UIBRJECYXXKCIU-UHFFFAOYSA-N 0 0 432.521 2.695 50 0 IFAARN CCn1c(CCC(=O)NCc2ccccc2F)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013041347 556447506 /nfs/dbraw/zinc/44/75/06/556447506.db2.gz ZDXWJFCJXZLERD-UHFFFAOYSA-N 0 0 432.521 2.695 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000014813277 556447552 /nfs/dbraw/zinc/44/75/52/556447552.db2.gz JPFHKZOOJLZGIF-LBPRGKRZSA-N 0 0 434.331 2.819 50 0 IFAARN C[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000032863158 556448243 /nfs/dbraw/zinc/44/82/43/556448243.db2.gz NUZNEFMXHOKLTM-MRXNPFEDSA-N 0 0 429.542 2.755 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN(C)Cc2ccccc2F)c1 ZINC000013058019 556449402 /nfs/dbraw/zinc/44/94/02/556449402.db2.gz MKGPDKYIOBDEAC-UHFFFAOYSA-N 0 0 437.537 2.935 50 0 IFAARN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000032868816 556449433 /nfs/dbraw/zinc/44/94/33/556449433.db2.gz OOHMRJKZRWRISS-HNNXBMFYSA-N 0 0 425.514 2.507 50 0 IFAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000032868944 556449693 /nfs/dbraw/zinc/44/96/93/556449693.db2.gz WYBVLJCSXGIXDD-FQEVSTJZSA-N 0 0 427.455 2.675 50 0 IFAARN CCc1ccc([C@H](C)NC(=O)Cn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1 ZINC000013062723 556451107 /nfs/dbraw/zinc/45/11/07/556451107.db2.gz LSTBNTQNWZZOEF-SFHVURJKSA-N 0 0 434.540 2.669 50 0 IFAARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000014866878 556451811 /nfs/dbraw/zinc/45/18/11/556451811.db2.gz BRVIMRHCDRFLOK-UHFFFAOYSA-N 0 0 427.478 2.997 50 0 IFAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SC[C@]2(C)NC(=O)NC2=O)cc1 ZINC000013068695 556452555 /nfs/dbraw/zinc/45/25/55/556452555.db2.gz DJXLZGCZQZYGHL-FPTDNZKUSA-N 0 0 441.509 2.869 50 0 IFAARN Cc1cccc(C(=O)N[C@@H](C(=O)O[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)C(C)C)c1 ZINC000032958279 556454044 /nfs/dbraw/zinc/45/40/44/556454044.db2.gz ZUPUOBWSICFTLD-QVKFZJNVSA-N 0 0 438.480 2.895 50 0 IFAARN O=C([C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCCN(c2nc3ccccc3o2)CC1 ZINC000014882193 556454212 /nfs/dbraw/zinc/45/42/12/556454212.db2.gz IIVBCDAYUDFFSR-QFIPXVFZSA-N 0 0 448.479 2.983 50 0 IFAARN C[C@H](c1ccc2c(c1)OCCCO2)N(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C1CC1 ZINC000072274686 556454389 /nfs/dbraw/zinc/45/43/89/556454389.db2.gz ZEJWSNKLFPCMHR-FATZIPQQSA-N 0 0 427.501 2.620 50 0 IFAARN Cn1c(-c2ccccc2)nn(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1=S ZINC000013073447 556454460 /nfs/dbraw/zinc/45/44/60/556454460.db2.gz VEDJVUDGCAODFJ-UHFFFAOYSA-N 0 0 443.598 2.723 50 0 IFAARN COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000014882746 556454482 /nfs/dbraw/zinc/45/44/82/556454482.db2.gz BQRQKMYVTNXGHL-AWEZNQCLSA-N 0 0 425.455 2.569 50 0 IFAARN CCCCn1cnc2c1c(=O)n(CC(=O)Nc1ccc(F)c(F)c1)c(=O)n2CCCC ZINC000013074159 556454641 /nfs/dbraw/zinc/45/46/41/556454641.db2.gz QZOLHUUNBWTMQO-UHFFFAOYSA-N 0 0 433.459 2.877 50 0 IFAARN COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)nn2-c2ccccc2)CC1=O ZINC000013096706 556457264 /nfs/dbraw/zinc/45/72/64/556457264.db2.gz CDDZEOABDGSOIY-KRWDZBQOSA-N 0 0 448.479 2.724 50 0 IFAARN CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)OCCCO3)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000028621984 556457374 /nfs/dbraw/zinc/45/73/74/556457374.db2.gz YAYRMIHIUVMFAE-OAHLLOKOSA-N 0 0 433.530 2.954 50 0 IFAARN CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)n(-c2ccccc2)n1 ZINC000013097356 556457850 /nfs/dbraw/zinc/45/78/50/556457850.db2.gz PRZQRZSCFWKYBL-UHFFFAOYSA-N 0 0 445.483 2.941 50 0 IFAARN O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000013097461 556458267 /nfs/dbraw/zinc/45/82/67/556458267.db2.gz AOHOXPBCSHOUPP-UHFFFAOYSA-N 0 0 436.839 2.590 50 0 IFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000028714908 556459484 /nfs/dbraw/zinc/45/94/84/556459484.db2.gz MZXKXYIEJLGIQF-IBGZPJMESA-N 0 0 430.464 2.516 50 0 IFAARN Cc1ccn(CCC(=O)NCc2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)n1 ZINC000014959128 556463388 /nfs/dbraw/zinc/46/33/88/556463388.db2.gz NJDZGRYUFRUKAW-LJQANCHMSA-N 0 0 440.573 2.809 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2c(C)onc2CC)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000013112392 556464771 /nfs/dbraw/zinc/46/47/71/556464771.db2.gz PBXUSHOBZICWBE-IBGZPJMESA-N 0 0 443.456 2.582 50 0 IFAARN COc1ccccc1[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(C)C ZINC000013114429 556466675 /nfs/dbraw/zinc/46/66/75/556466675.db2.gz OIWVVRLPPVFQIJ-OAQYLSRUSA-N 0 0 445.585 2.903 50 0 IFAARN CCNC(=O)NC(=O)COc1c(Br)cc(Br)c2cccnc21 ZINC000013114352 556466745 /nfs/dbraw/zinc/46/67/45/556466745.db2.gz WMXUTXLXEGUYAI-UHFFFAOYSA-N 0 0 431.084 2.984 50 0 IFAARN Cn1cc(S(=O)(=O)NCc2ccco2)cc1C(=O)NC[C@H]1CCCc2ccccc21 ZINC000029110344 556467503 /nfs/dbraw/zinc/46/75/03/556467503.db2.gz DXMHUQKSKMTLBB-QGZVFWFLSA-N 0 0 427.526 2.947 50 0 IFAARN Cc1cc(N2CCN(CC(=O)Nc3cccc(N4CCCC4=O)c3)CC2)nc(C(C)C)n1 ZINC000029144124 556468451 /nfs/dbraw/zinc/46/84/51/556468451.db2.gz YZXAQMDWAUQBOF-UHFFFAOYSA-N 0 0 436.560 2.796 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1cc(Cl)c2c(c1)OCCO2 ZINC000029156874 556469039 /nfs/dbraw/zinc/46/90/39/556469039.db2.gz VNNPCTIDECCRIN-UHFFFAOYSA-N 0 0 442.946 2.887 50 0 IFAARN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N[C@H]4CCOC4)c3C3CC3)ncc1CC2 ZINC000014980455 556470585 /nfs/dbraw/zinc/47/05/85/556470585.db2.gz BMFCKMSHNULVAZ-KRWDZBQOSA-N 0 0 431.496 2.833 50 0 IFAARN CN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000029243519 556470597 /nfs/dbraw/zinc/47/05/97/556470597.db2.gz DOGMXQNQDXZMSE-LJQANCHMSA-N 0 0 430.526 2.662 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1)NCc1ccco1 ZINC000013117794 556470756 /nfs/dbraw/zinc/47/07/56/556470756.db2.gz PQKXWRZSROZBSG-UHFFFAOYSA-N 0 0 445.585 2.950 50 0 IFAARN Cc1nc(SCCC(=O)Nc2ccccc2F)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000032870893 556470872 /nfs/dbraw/zinc/47/08/72/556470872.db2.gz HBOHWHDBCANOIR-UHFFFAOYSA-N 0 0 445.520 2.715 50 0 IFAARN CCOc1ccc2nc(SCC(=O)NCc3ccc(S(N)(=O)=O)cc3)sc2c1 ZINC000013119433 556471791 /nfs/dbraw/zinc/47/17/91/556471791.db2.gz BBOVOUSWBDIZPP-UHFFFAOYSA-N 0 0 437.568 2.751 50 0 IFAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000029351505 556473180 /nfs/dbraw/zinc/47/31/80/556473180.db2.gz CQGXHANYQQZUBA-UHFFFAOYSA-N 0 0 431.539 2.545 50 0 IFAARN COCCn1cc(C(=O)NCCc2cccc(Cl)c2)c(=O)c(C(=O)N(C)CC(C)C)c1 ZINC000014987755 556473331 /nfs/dbraw/zinc/47/33/31/556473331.db2.gz YNBNGIWSSRAULC-UHFFFAOYSA-N 0 0 447.963 2.849 50 0 IFAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000013121367 556474185 /nfs/dbraw/zinc/47/41/85/556474185.db2.gz OWWHZXZJOMWOCC-UHFFFAOYSA-N 0 0 427.482 2.795 50 0 IFAARN Cc1c(NC(=O)[C@H](C)Sc2nc3nc(C)cc(C)n3n2)c(=O)n(-c2ccccc2)n1C ZINC000013121582 556474420 /nfs/dbraw/zinc/47/44/20/556474420.db2.gz BLHSKTDNFNPFSX-HNNXBMFYSA-N 0 0 437.529 2.658 50 0 IFAARN CC(=O)Nc1ccc(OC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000029473043 556476231 /nfs/dbraw/zinc/47/62/31/556476231.db2.gz KILOSFNEFVPQLA-UHFFFAOYSA-N 0 0 438.452 2.930 50 0 IFAARN COc1cc(OC)c(CN2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)c(OC)c1 ZINC000014993637 556476426 /nfs/dbraw/zinc/47/64/26/556476426.db2.gz LNGRAYYPEVEJJD-LJQANCHMSA-N 0 0 445.564 2.586 50 0 IFAARN C[C@H](Oc1ccccc1)C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000014994435 556476928 /nfs/dbraw/zinc/47/69/28/556476928.db2.gz HOYIRDHSGPBIDN-UNMCSNQZSA-N 0 0 448.567 2.826 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000013128088 556477047 /nfs/dbraw/zinc/47/70/47/556477047.db2.gz WZFFOEHOBAXHRX-UHFFFAOYSA-N 0 0 438.556 2.623 50 0 IFAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC3CCCCCC3)N(Cc3ccc(F)cc3)C2)nn1 ZINC000014994768 556477103 /nfs/dbraw/zinc/47/71/03/556477103.db2.gz OFLHEYAEKRBETK-FPOVZHCZSA-N 0 0 443.523 2.858 50 0 IFAARN COC(=O)CCCNC(=O)CC[C@@]1(Cc2ccc(OC)c3ccccc23)CCC(=O)N1 ZINC000014995215 556477514 /nfs/dbraw/zinc/47/75/14/556477514.db2.gz FXCVUPVALAQVLM-DEOSSOPVSA-N 0 0 426.513 2.889 50 0 IFAARN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2=O)C1=O ZINC000029527477 556477616 /nfs/dbraw/zinc/47/76/16/556477616.db2.gz KRWXBUHVTJYSQR-DEOSSOPVSA-N 0 0 446.463 2.965 50 0 IFAARN O=C(NCCN1CCOCC1)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000013130338 556479812 /nfs/dbraw/zinc/47/98/12/556479812.db2.gz QUZHSYCBZSWPFH-UKRRQHHQSA-N 0 0 429.468 2.667 50 0 IFAARN COCCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C(C)C)CC1 ZINC000015002136 556480138 /nfs/dbraw/zinc/48/01/38/556480138.db2.gz VSEMHPVYWCDOTG-UHFFFAOYSA-N 0 0 440.573 2.918 50 0 IFAARN Cn1c(CCNC(=O)CC[C@]2(Cc3ccc4c(c3)OCO4)CCC(=O)N2)nc2ccccc21 ZINC000015003923 556480866 /nfs/dbraw/zinc/48/08/66/556480866.db2.gz ZVRADGLCVHTJPU-RUZDIDTESA-N 0 0 448.523 2.632 50 0 IFAARN COc1cc(Br)c(CCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc1OC ZINC000029759215 556481479 /nfs/dbraw/zinc/48/14/79/556481479.db2.gz YXEWHXQRCDNHHA-CQSZACIVSA-N 0 0 427.339 2.630 50 0 IFAARN COc1ccccc1NC(=O)Cc1noc(CSc2nnc(C3CCCCC3)n2N)n1 ZINC000013133910 556481776 /nfs/dbraw/zinc/48/17/76/556481776.db2.gz JCHUNGRNUFQDBU-UHFFFAOYSA-N 0 0 443.533 2.905 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccccc1Br ZINC000013134790 556482905 /nfs/dbraw/zinc/48/29/05/556482905.db2.gz UYPKRJZEJMDHML-UHFFFAOYSA-N 0 0 443.319 2.726 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)Cn1cnc2c3ccccc3oc2c1=O)c1cccc(F)c1 ZINC000029813758 556483361 /nfs/dbraw/zinc/48/33/61/556483361.db2.gz XNYHFBNZCPXPEJ-IBGZPJMESA-N 0 0 431.427 2.921 50 0 IFAARN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000029837419 556483875 /nfs/dbraw/zinc/48/38/75/556483875.db2.gz OLEFACBZOUSONE-UHFFFAOYSA-N 0 0 431.323 2.888 50 0 IFAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cc2)n1 ZINC000013137158 556484062 /nfs/dbraw/zinc/48/40/62/556484062.db2.gz IMGJRTJAXFEAEO-UHFFFAOYSA-N 0 0 442.516 2.775 50 0 IFAARN O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000029899770 556485892 /nfs/dbraw/zinc/48/58/92/556485892.db2.gz PFYKZDYVEXTBNT-ZDUSSCGKSA-N 0 0 444.376 2.623 50 0 IFAARN O=C(NCc1ccccc1CN1CCOCC1)C1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000029932032 556486895 /nfs/dbraw/zinc/48/68/95/556486895.db2.gz CBTAWUDEOSAILX-UHFFFAOYSA-N 0 0 443.466 2.546 50 0 IFAARN C[C@H](c1nnc(SCC(=O)Nc2ccccc2O)n1C)N1C(=O)COc2ccccc21 ZINC000015019120 556487551 /nfs/dbraw/zinc/48/75/51/556487551.db2.gz UTZULAKGGPTOAP-CYBMUJFWSA-N 0 0 439.497 2.738 50 0 IFAARN Cc1cccc(NC(=O)CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)c1 ZINC000015019728 556487694 /nfs/dbraw/zinc/48/76/94/556487694.db2.gz CDTNZOLPQFMXMO-UHFFFAOYSA-N 0 0 445.570 2.821 50 0 IFAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000029993192 556488537 /nfs/dbraw/zinc/48/85/37/556488537.db2.gz RDTZDVRMJBQRDN-KRWDZBQOSA-N 0 0 426.427 2.510 50 0 IFAARN Cc1cc(C)cc(C(=O)N2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1 ZINC000029997681 556488556 /nfs/dbraw/zinc/48/85/56/556488556.db2.gz YANJVRMIKAMZFI-UHFFFAOYSA-N 0 0 435.576 2.651 50 0 IFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000030014206 556489232 /nfs/dbraw/zinc/48/92/32/556489232.db2.gz SKCQGCWEYBVQOC-HXUWFJFHSA-N 0 0 442.475 2.742 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc3c4c([nH]c32)CCCC4)CC1 ZINC000030163031 556490917 /nfs/dbraw/zinc/49/09/17/556490917.db2.gz QEIXEBAHMKNWTP-UHFFFAOYSA-N 0 0 442.541 2.798 50 0 IFAARN CCOC(=O)C(NC(=O)COc1ccc2ccccc2c1Br)C(=O)OCC ZINC000030180521 556491432 /nfs/dbraw/zinc/49/14/32/556491432.db2.gz PZBZOZNPDIPOSY-UHFFFAOYSA-N 0 0 438.274 2.592 50 0 IFAARN CN(CC(=O)NCc1ccc(Cn2ccnc2)cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000030219537 556491760 /nfs/dbraw/zinc/49/17/60/556491760.db2.gz DUIRBNISVOXTTJ-UHFFFAOYSA-N 0 0 438.962 2.583 50 0 IFAARN O=C(Cc1cc(Cl)cc2c1OCOC2)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000030256486 556492073 /nfs/dbraw/zinc/49/20/73/556492073.db2.gz RNLDOMZPQLZKIG-INIZCTEOSA-N 0 0 425.890 2.558 50 0 IFAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CCOC)cc1 ZINC000013152806 556492671 /nfs/dbraw/zinc/49/26/71/556492671.db2.gz BCTZOMOTXNNNQW-FQEVSTJZSA-N 0 0 441.484 2.906 50 0 IFAARN O=C(NCc1cccnc1N1CCOCC1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000030309944 556492690 /nfs/dbraw/zinc/49/26/90/556492690.db2.gz UTFQSMCVGVRRIE-UHFFFAOYSA-N 0 0 446.486 2.964 50 0 IFAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CCOC)cc1 ZINC000013152807 556492685 /nfs/dbraw/zinc/49/26/85/556492685.db2.gz BCTZOMOTXNNNQW-HXUWFJFHSA-N 0 0 441.484 2.906 50 0 IFAARN O=C(CC[C@H]1CCCN(C(=O)c2cn3ccccc3n2)C1)N1CCN(c2ccccn2)CC1 ZINC000015066189 556492753 /nfs/dbraw/zinc/49/27/53/556492753.db2.gz ICOXOUKIAIWBCU-HXUWFJFHSA-N 0 0 446.555 2.711 50 0 IFAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000013163586 556494000 /nfs/dbraw/zinc/49/40/00/556494000.db2.gz KJXIRKBALBNSBW-LFVRLGFBSA-N 0 0 439.468 2.651 50 0 IFAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000013163585 556494053 /nfs/dbraw/zinc/49/40/53/556494053.db2.gz KJXIRKBALBNSBW-PSLXWICFSA-N 0 0 439.468 2.651 50 0 IFAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013164081 556495333 /nfs/dbraw/zinc/49/53/33/556495333.db2.gz IEJKGNGBSQNIAG-FQEVSTJZSA-N 0 0 425.510 2.563 50 0 IFAARN COc1ccc(CCC(=O)O[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000013165088 556497931 /nfs/dbraw/zinc/49/79/31/556497931.db2.gz HFKVJRKESBCUGY-MRXNPFEDSA-N 0 0 448.541 2.757 50 0 IFAARN O=C(NC[C@H]1CCCN(C(=O)c2cccc(N3CCNC3=O)c2)C1)c1cc2ccccc2[nH]1 ZINC000015075064 556498757 /nfs/dbraw/zinc/49/87/57/556498757.db2.gz XPTHILAFZZSPJT-QGZVFWFLSA-N 0 0 445.523 2.980 50 0 IFAARN C[C@@H]1CCc2[nH]c3c(cccc3C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)c2C1 ZINC000030685952 556501989 /nfs/dbraw/zinc/50/19/89/556501989.db2.gz QBQKXQMSJBEVRG-OAHLLOKOSA-N 0 0 429.528 2.932 50 0 IFAARN O=C(c1cccc(Nc2ncccn2)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000030692354 556502018 /nfs/dbraw/zinc/50/20/18/556502018.db2.gz PSMPZPAGYFFHEG-UHFFFAOYSA-N 0 0 443.554 2.865 50 0 IFAARN O=C(CNc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015086685 556502547 /nfs/dbraw/zinc/50/25/47/556502547.db2.gz XJXDVYLASHRDPB-UHFFFAOYSA-N 0 0 427.501 2.924 50 0 IFAARN CSc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1 ZINC000013426676 556505737 /nfs/dbraw/zinc/50/57/37/556505737.db2.gz QTOOBIMWFVDYDJ-FXBPSFAMSA-N 0 0 425.554 2.628 50 0 IFAARN O=c1[nH]ncc(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)c1Cl ZINC000015143635 556506431 /nfs/dbraw/zinc/50/64/31/556506431.db2.gz LWDAISWCLHYAEH-UHFFFAOYSA-N 0 0 436.965 2.982 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000013483730 556508169 /nfs/dbraw/zinc/50/81/69/556508169.db2.gz RQTICJLLMIKRQW-IBGZPJMESA-N 0 0 436.505 2.715 50 0 IFAARN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000032885710 556510211 /nfs/dbraw/zinc/51/02/11/556510211.db2.gz KTGKBLMSMIKJBT-UHFFFAOYSA-N 0 0 435.933 2.969 50 0 IFAARN COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@@H]1C(=O)N(c3cccnc3)C(=O)[C@@H]12 ZINC000013536885 556513361 /nfs/dbraw/zinc/51/33/61/556513361.db2.gz KQCJXOWIFYILBM-XRQRDNCTSA-N 0 0 438.094 2.848 50 0 IFAARN CCSCCN(CCSCC)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000015277287 556514898 /nfs/dbraw/zinc/51/48/98/556514898.db2.gz HUYZNILDGXTWMZ-UHFFFAOYSA-N 0 0 426.651 2.555 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000032895550 556515175 /nfs/dbraw/zinc/51/51/75/556515175.db2.gz LMHRIBWDLVJGHZ-PHIMTYICSA-N 0 0 443.875 2.583 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2CCc2ccccc2)cc1 ZINC000013552393 556515232 /nfs/dbraw/zinc/51/52/32/556515232.db2.gz DORDTVSEOQQPKD-LJQANCHMSA-N 0 0 439.537 2.862 50 0 IFAARN COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 ZINC000030939127 556515940 /nfs/dbraw/zinc/51/59/40/556515940.db2.gz SIVIEVNSQWVKPD-QGZVFWFLSA-N 0 0 438.889 2.682 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000032898940 556517610 /nfs/dbraw/zinc/51/76/10/556517610.db2.gz CXMORQNFESBMIC-UHFFFAOYSA-N 0 0 435.274 2.599 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)ccc21 ZINC000032898935 556517631 /nfs/dbraw/zinc/51/76/31/556517631.db2.gz AYFWAMYGHDEXOS-UHFFFAOYSA-N 0 0 442.537 2.840 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1cccc(Cl)c1 ZINC000013557478 556517637 /nfs/dbraw/zinc/51/76/37/556517637.db2.gz KBISBVPZOJBECT-ODLKPZKQSA-N 0 0 429.929 2.731 50 0 IFAARN COC(=O)[C@]1(C(F)(F)F)N=C2Sc3cc(Cl)ccc3N2C(N2CCOCC2)=N1 ZINC000015319980 556519908 /nfs/dbraw/zinc/51/99/08/556519908.db2.gz HAYFWGXRARXSOK-OAHLLOKOSA-N 0 0 434.827 2.742 50 0 IFAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000015401140 556524546 /nfs/dbraw/zinc/52/45/46/556524546.db2.gz MVHNOEGLPXORIX-UHFFFAOYSA-N 0 0 426.542 2.625 50 0 IFAARN CCN(CCNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)c1ccccc1C ZINC000072301518 556525201 /nfs/dbraw/zinc/52/52/01/556525201.db2.gz DFYMZNLACMSRIB-UHFFFAOYSA-N 0 0 446.504 2.747 50 0 IFAARN O=C(CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)NCCc1ccc(O)cc1 ZINC000013575319 556525620 /nfs/dbraw/zinc/52/56/20/556525620.db2.gz ASZJJKQORGRDMC-ZDLGFXPLSA-N 0 0 426.450 2.516 50 0 IFAARN COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1nc(-c2ccccc2OC)no1 ZINC000022956012 556525763 /nfs/dbraw/zinc/52/57/63/556525763.db2.gz IBOCQVUALRAZIQ-UHFFFAOYSA-N 0 0 430.486 2.807 50 0 IFAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CN(C)C[C@H]1COc2ccccc2O1 ZINC000015447082 556528550 /nfs/dbraw/zinc/52/85/50/556528550.db2.gz YENRKHQNXZDTPI-INIZCTEOSA-N 0 0 444.557 2.756 50 0 IFAARN Cc1cc(=O)c(C(=O)N2CCN(C)c3nc4ccccc4nc32)nn1-c1ccccc1F ZINC000032900584 556529374 /nfs/dbraw/zinc/52/93/74/556529374.db2.gz LLDLKUGWXHIOKD-UHFFFAOYSA-N 0 0 430.443 2.720 50 0 IFAARN COc1ccc(CCNC(=O)[C@H]2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)C2)cc1 ZINC000032104894 556529791 /nfs/dbraw/zinc/52/97/91/556529791.db2.gz USTKYVMXYFKFID-HNNXBMFYSA-N 0 0 448.449 2.727 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@@H](C)O)N[C@]12C(=O)Nc1ccc(F)cc12 ZINC000013592304 556530374 /nfs/dbraw/zinc/53/03/74/556530374.db2.gz ALNSSYUUUQIIGH-BASGCRPESA-N 0 0 433.867 2.633 50 0 IFAARN CCOc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c2C)nn1 ZINC000032899348 556530488 /nfs/dbraw/zinc/53/04/88/556530488.db2.gz KNWHDBLCINMCFZ-CXHZTBPHSA-N 0 0 429.521 2.856 50 0 IFAARN CSCC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000032899917 556531665 /nfs/dbraw/zinc/53/16/65/556531665.db2.gz KPOPCGXMTXIMLO-HBMCJLEFSA-N 0 0 443.613 2.628 50 0 IFAARN COc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(Cn3ccccc3=O)o2)cc(OC)c1 ZINC000032899859 556531729 /nfs/dbraw/zinc/53/17/29/556531729.db2.gz KEISCBVRFQJQQQ-AWEZNQCLSA-N 0 0 426.425 2.691 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)OC3)cc1 ZINC000013593658 556531737 /nfs/dbraw/zinc/53/17/37/556531737.db2.gz OUHXOLIZGKGEMM-UHFFFAOYSA-N 0 0 445.541 2.740 50 0 IFAARN Cc1ccc(OC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)cc1 ZINC000015511293 556532002 /nfs/dbraw/zinc/53/20/02/556532002.db2.gz GMFSVVAORWFDEL-UHFFFAOYSA-N 0 0 430.482 2.683 50 0 IFAARN COc1ccc(OC)c([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)c1 ZINC000013606991 556532925 /nfs/dbraw/zinc/53/29/25/556532925.db2.gz NLBUSGYDKDNNBP-TXPKVOOTSA-N 0 0 442.365 2.947 50 0 IFAARN CC(=O)Oc1ccc2c(C)c(CC(=O)NCCc3ccsc3)c(=O)oc2c1OC(C)=O ZINC000013608259 556533757 /nfs/dbraw/zinc/53/37/57/556533757.db2.gz AHUJFHMBWNPNGB-UHFFFAOYSA-N 0 0 443.477 2.915 50 0 IFAARN COc1ccc2c(C)c(CC(=O)Nc3ccc(Cn4cncn4)cc3)c(=O)oc2c1OC ZINC000013609898 556534321 /nfs/dbraw/zinc/53/43/21/556534321.db2.gz MBBZZWBXDBRHJW-UHFFFAOYSA-N 0 0 434.452 2.940 50 0 IFAARN CCN1c2ccc(Br)cc2[C@@H](NC(=O)C(=O)N2CCc3ccccc3C2)C1=O ZINC000013625799 556537054 /nfs/dbraw/zinc/53/70/54/556537054.db2.gz NLKMVFMSHXNEOC-GOSISDBHSA-N 0 0 442.313 2.558 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)NCCCc3ccccc3)n2N)c(OC)c1 ZINC000032719424 556537341 /nfs/dbraw/zinc/53/73/41/556537341.db2.gz NSMKGKQBZDJPSS-UHFFFAOYSA-N 0 0 427.530 2.517 50 0 IFAARN CCOc1ccc(CN(CC)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1OC ZINC000015613869 556538042 /nfs/dbraw/zinc/53/80/42/556538042.db2.gz WQKOCLGCEGWROH-DEOSSOPVSA-N 0 0 439.512 2.910 50 0 IFAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@@H]4C2=O)no1 ZINC000013628576 556538277 /nfs/dbraw/zinc/53/82/77/556538277.db2.gz HIRQDSRUPIDXSW-WVSUBDOOSA-N 0 0 434.279 2.893 50 0 IFAARN CCOC(=O)[C@@H]1CSCCN1C(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000032902938 556541247 /nfs/dbraw/zinc/54/12/47/556541247.db2.gz GYKJBAMLUAAKHZ-IBGZPJMESA-N 0 0 426.542 2.939 50 0 IFAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000032904892 556544911 /nfs/dbraw/zinc/54/49/11/556544911.db2.gz HJFJYOXEEATAON-UHFFFAOYSA-N 0 0 439.493 2.903 50 0 IFAARN O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000015719829 556544944 /nfs/dbraw/zinc/54/49/44/556544944.db2.gz NQYPOJWIQVYFTO-UHFFFAOYSA-N 0 0 448.907 2.812 50 0 IFAARN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1 ZINC000071186436 556546901 /nfs/dbraw/zinc/54/69/01/556546901.db2.gz GASWUZURCIAPIN-RMKNXTFCSA-N 0 0 439.516 2.670 50 0 IFAARN O=C(Nc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1)c1cccs1 ZINC000032722132 556547796 /nfs/dbraw/zinc/54/77/96/556547796.db2.gz QXPVJZMHNXJDLG-QZTJIDSGSA-N 0 0 448.566 2.809 50 0 IFAARN COc1ccc(-c2nc(CC(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cs2)cc1OC ZINC000032722581 556548020 /nfs/dbraw/zinc/54/80/20/556548020.db2.gz QKWPWYBAPMJGGH-SFHVURJKSA-N 0 0 437.521 2.809 50 0 IFAARN Cc1nc(NC(=O)[C@H](NS(=O)(=O)c2ccccc2)C(C)C)sc1-c1nccn1C ZINC000032905579 556549215 /nfs/dbraw/zinc/54/92/15/556549215.db2.gz YNDJZXLLPNPHEK-OAHLLOKOSA-N 0 0 433.559 2.794 50 0 IFAARN CCOC(=O)CSc1nnc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)s1 ZINC000022961875 556549913 /nfs/dbraw/zinc/54/99/13/556549913.db2.gz MEZFCZGZGJJCQQ-CYBMUJFWSA-N 0 0 436.515 2.563 50 0 IFAARN COc1cc2cc(C(=O)OCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)[nH]c2c(OC)c1 ZINC000032906257 556551732 /nfs/dbraw/zinc/55/17/32/556551732.db2.gz ZENWQZQHWCNNJI-UHFFFAOYSA-N 0 0 425.441 2.789 50 0 IFAARN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000032906446 556552425 /nfs/dbraw/zinc/55/24/25/556552425.db2.gz LNDSYTVVJZFYJP-UHFFFAOYSA-N 0 0 434.562 2.786 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)c(C)n2n1 ZINC000015826229 556554284 /nfs/dbraw/zinc/55/42/84/556554284.db2.gz BJDNIGPWYIOPEZ-AWEZNQCLSA-N 0 0 436.545 2.806 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)Oc2cccc(C(=O)NCc3ccccc3)c2)cn1C ZINC000072305599 556554327 /nfs/dbraw/zinc/55/43/27/556554327.db2.gz ALUDLWZWZMZXQR-UHFFFAOYSA-N 0 0 428.466 2.509 50 0 IFAARN O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000015859892 556558599 /nfs/dbraw/zinc/55/85/99/556558599.db2.gz YMGOBJJFILQFIY-OAHLLOKOSA-N 0 0 447.285 2.952 50 0 IFAARN O=C(Nc1cccc(Br)c1)c1cc(S(=O)(=O)N2CCOCC2)cs1 ZINC000015913871 556563335 /nfs/dbraw/zinc/56/33/35/556563335.db2.gz PHYFCQBYNXKZKN-UHFFFAOYSA-N 0 0 431.333 2.784 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCNC(=O)c1ccco1 ZINC000032908609 556565445 /nfs/dbraw/zinc/56/54/45/556565445.db2.gz VCHIDQNIALANSX-MRXNPFEDSA-N 0 0 426.300 2.887 50 0 IFAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000072308710 556566738 /nfs/dbraw/zinc/56/67/38/556566738.db2.gz NMTXQZCODOMEJM-CVEARBPZSA-N 0 0 444.619 2.959 50 0 IFAARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015974991 556570305 /nfs/dbraw/zinc/57/03/05/556570305.db2.gz NWANDGFJGLFONL-MLHJIOFPSA-N 0 0 428.275 2.994 50 0 IFAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2nccs2)cc1 ZINC000000780379 556573417 /nfs/dbraw/zinc/57/34/17/556573417.db2.gz RSBZHOGKVJWSSD-SFHVURJKSA-N 0 0 429.523 2.906 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4C)C(=O)[C@H]3[C@@H]3C=CC=NN23)cc1 ZINC000016038763 556577983 /nfs/dbraw/zinc/57/79/83/556577983.db2.gz WNZKBVGVJPAPQM-MYGLTJDJSA-N 0 0 429.476 2.909 50 0 IFAARN Cc1cccc(N(CC(=O)NCC(F)(F)F)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000016047022 556580604 /nfs/dbraw/zinc/58/06/04/556580604.db2.gz ITZJVSCJOAUXES-UHFFFAOYSA-N 0 0 444.431 2.640 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(F)c3)c2C)c1 ZINC000071326978 556580674 /nfs/dbraw/zinc/58/06/74/556580674.db2.gz PARIVOSMLABYSB-UHFFFAOYSA-N 0 0 427.436 2.942 50 0 IFAARN COc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc(OC)c1 ZINC000032910896 556581634 /nfs/dbraw/zinc/58/16/34/556581634.db2.gz CMHLOKQWHWKIKI-CYBMUJFWSA-N 0 0 426.425 2.541 50 0 IFAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000016091282 556582452 /nfs/dbraw/zinc/58/24/52/556582452.db2.gz BLZXDXQACVXZFU-UHFFFAOYSA-N 0 0 432.402 2.691 50 0 IFAARN O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000016104256 556583334 /nfs/dbraw/zinc/58/33/34/556583334.db2.gz XBAMMEPXCNYVHW-CQSZACIVSA-N 0 0 428.388 2.939 50 0 IFAARN NC(=O)C1=C(N)S[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]1c1ccccc1O ZINC000034863178 556584351 /nfs/dbraw/zinc/58/43/51/556584351.db2.gz LNLNNOKYZLOYAG-HBFSDRIKSA-N 0 0 445.500 2.590 50 0 IFAARN CCc1ccc(NC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 ZINC000034878698 556585318 /nfs/dbraw/zinc/58/53/18/556585318.db2.gz GXWZOQWYYLHQKV-MRXNPFEDSA-N 0 0 448.614 2.699 50 0 IFAARN Cc1nn(CC(=O)N[C@H]2CCCC[C@H]2C)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000011103385 556587207 /nfs/dbraw/zinc/58/72/07/556587207.db2.gz CKPWFFITMGECEM-BEFAXECRSA-N 0 0 430.574 2.946 50 0 IFAARN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000060248139 556588485 /nfs/dbraw/zinc/58/84/85/556588485.db2.gz QMKYFHUQNQQCRU-UHFFFAOYSA-N 0 0 428.514 2.684 50 0 IFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000032970931 556588781 /nfs/dbraw/zinc/58/87/81/556588781.db2.gz JDNMJGGAOGRPRJ-JTSKRJEESA-N 0 0 438.553 2.826 50 0 IFAARN O=C(NC[C@@]1(O)CCSC1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000072311786 556590936 /nfs/dbraw/zinc/59/09/36/556590936.db2.gz VRJGTSGBNFIBNH-SFHVURJKSA-N 0 0 444.937 2.878 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(I)c2)cc1 ZINC000016216645 556591879 /nfs/dbraw/zinc/59/18/79/556591879.db2.gz BPUWXHNAQYDYKX-UHFFFAOYSA-N 0 0 447.294 2.829 50 0 IFAARN COc1ccc(C(=O)CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)cc1 ZINC000016216255 556591951 /nfs/dbraw/zinc/59/19/51/556591951.db2.gz MAAPUVCEABZFIU-UHFFFAOYSA-N 0 0 447.538 2.567 50 0 IFAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000036107565 556593125 /nfs/dbraw/zinc/59/31/25/556593125.db2.gz CUYLCQSGTRDVDH-OAHLLOKOSA-N 0 0 437.949 2.682 50 0 IFAARN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000016230711 556593534 /nfs/dbraw/zinc/59/35/34/556593534.db2.gz CRWDGZGLMZLYSJ-UHFFFAOYSA-N 0 0 426.498 2.683 50 0 IFAARN Cn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1F ZINC000016253014 556594618 /nfs/dbraw/zinc/59/46/18/556594618.db2.gz XGHXTWSHPQUOKJ-UHFFFAOYSA-N 0 0 429.433 2.790 50 0 IFAARN COc1cc(C(=O)N2CCC(CC(=O)NCCc3ccco3)CC2)cc(OC)c1OC ZINC000032974316 556595576 /nfs/dbraw/zinc/59/55/76/556595576.db2.gz KEICKGNYSVETMB-UHFFFAOYSA-N 0 0 430.501 2.907 50 0 IFAARN C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1nc2ccccc2n1C ZINC000072312000 556596007 /nfs/dbraw/zinc/59/60/07/556596007.db2.gz OEVJRAORONEKLN-LBPRGKRZSA-N 0 0 433.434 2.566 50 0 IFAARN COc1cc(C(=O)N2CCC(CC(=O)NCc3cccnc3)CC2)cc(OC)c1OC ZINC000032974241 556596204 /nfs/dbraw/zinc/59/62/04/556596204.db2.gz XYQCBFSROUGXKS-UHFFFAOYSA-N 0 0 427.501 2.666 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000036445046 556598053 /nfs/dbraw/zinc/59/80/53/556598053.db2.gz NKKZYDMPAIFQFB-UHFFFAOYSA-N 0 0 438.915 2.921 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 ZINC000071768275 556599089 /nfs/dbraw/zinc/59/90/89/556599089.db2.gz NPKMCPCKLAPKLI-UHFFFAOYSA-N 0 0 430.424 2.853 50 0 IFAARN Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000016312608 556599881 /nfs/dbraw/zinc/59/98/81/556599881.db2.gz FFYLAFDDXJGFHP-UHFFFAOYSA-N 0 0 428.539 2.767 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3cc(OC)ccc3OC)CC2)cc1 ZINC000016400398 556605537 /nfs/dbraw/zinc/60/55/37/556605537.db2.gz OKQPMTWQEBYRAE-UHFFFAOYSA-N 0 0 449.598 2.970 50 0 IFAARN CN(C)c1cccc(CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)c1 ZINC000060277496 556605818 /nfs/dbraw/zinc/60/58/18/556605818.db2.gz IUOPSEOPJUWQTE-UHFFFAOYSA-N 0 0 425.348 2.746 50 0 IFAARN CCOC(=O)C(=O)Nc1sc(C(=O)NCCc2ccccc2)c(C)c1C(=O)OCC ZINC000016426295 556606548 /nfs/dbraw/zinc/60/65/48/556606548.db2.gz IREZMTGWMMMRAI-UHFFFAOYSA-N 0 0 432.498 2.707 50 0 IFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)NCc3ccc(C)cc3)s2)cc1 ZINC000032987363 556607495 /nfs/dbraw/zinc/60/74/95/556607495.db2.gz HZCHTNHFGIKRGW-UHFFFAOYSA-N 0 0 426.498 2.940 50 0 IFAARN CCOc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000016447835 556608287 /nfs/dbraw/zinc/60/82/87/556608287.db2.gz OHGDAEULSXWUGY-IBGZPJMESA-N 0 0 436.505 2.715 50 0 IFAARN CSCC[C@@H](NC(=O)CCNS(=O)(=O)c1cccs1)c1nc2ccccc2[nH]1 ZINC000032990908 556609672 /nfs/dbraw/zinc/60/96/72/556609672.db2.gz FSGHUAMCRVHBIP-OAHLLOKOSA-N 0 0 438.600 2.903 50 0 IFAARN CCN(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1cc(C)ccc1OC ZINC000016475482 556610436 /nfs/dbraw/zinc/61/04/36/556610436.db2.gz WKOXKZQPOYIQEB-UHFFFAOYSA-N 0 0 449.548 2.502 50 0 IFAARN O=C(CCCc1nnc(C(=O)Nc2cccc(F)c2)s1)N1CCC2(CC1)OCCO2 ZINC000032995429 556611153 /nfs/dbraw/zinc/61/11/53/556611153.db2.gz RMTKLDGDFZREII-UHFFFAOYSA-N 0 0 434.493 2.618 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccccc2Cn2ccnc2)s1 ZINC000071795984 556612407 /nfs/dbraw/zinc/61/24/07/556612407.db2.gz SUMOVOOWYJEPSC-IBGZPJMESA-N 0 0 444.582 2.771 50 0 IFAARN CNC(=O)Cc1ccc(NC(=O)[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000032915843 556613246 /nfs/dbraw/zinc/61/32/46/556613246.db2.gz FBVFKLZFOWRNKH-KRWDZBQOSA-N 0 0 435.402 2.865 50 0 IFAARN O=S(=O)(c1ccc(OCCSc2ccc3c(c2)OCCO3)cc1)N1CCOCC1 ZINC000016561528 556615360 /nfs/dbraw/zinc/61/53/60/556615360.db2.gz BBAGDEXPABOYOC-UHFFFAOYSA-N 0 0 437.539 2.650 50 0 IFAARN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000016594331 556616815 /nfs/dbraw/zinc/61/68/15/556616815.db2.gz HFKNSWOYMXGRSN-HXUWFJFHSA-N 0 0 443.569 2.709 50 0 IFAARN CCCn1c2ccc(Cl)cc2nc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000016662382 556621183 /nfs/dbraw/zinc/62/11/83/556621183.db2.gz MLILYLHXLIGYJO-UHFFFAOYSA-N 0 0 433.921 2.842 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O ZINC000016680352 556623780 /nfs/dbraw/zinc/62/37/80/556623780.db2.gz LTOZCZIKKDAIMX-MCMMXHMISA-N 0 0 438.509 2.595 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1nnc(Cc2ccccc2)s1 ZINC000016694645 556628264 /nfs/dbraw/zinc/62/82/64/556628264.db2.gz TUQCPCRVZLBDAU-QHCPKHFHSA-N 0 0 447.520 2.851 50 0 IFAARN COc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)c(C)n3c2=O)c(OC)c1 ZINC000016736105 556633337 /nfs/dbraw/zinc/63/33/37/556633337.db2.gz OQPASKDIWZZLQU-RGVLZGJSSA-N 0 0 438.480 2.719 50 0 IFAARN C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4ncnn4c3=O)ccc2O1 ZINC000016741757 556635422 /nfs/dbraw/zinc/63/54/22/556635422.db2.gz WAFVIPDMKBZXBT-LPKQHDGYSA-N 0 0 427.489 2.875 50 0 IFAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)n1 ZINC000016753854 556638729 /nfs/dbraw/zinc/63/87/29/556638729.db2.gz YHJBVXBBXHSRBH-UHFFFAOYSA-N 0 0 443.934 2.903 50 0 IFAARN O=C(COc1ccccc1)Nn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000040396660 556639253 /nfs/dbraw/zinc/63/92/53/556639253.db2.gz ZNPNYWKDFHFAJB-UHFFFAOYSA-N 0 0 429.411 2.999 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCN(c2ccc(Br)cc2F)C1=O ZINC000037572683 556643220 /nfs/dbraw/zinc/64/32/20/556643220.db2.gz UAVCJAFKATWAKB-ZDUSSCGKSA-N 0 0 435.249 2.986 50 0 IFAARN CCS(=O)(=O)N1CCCN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CC1 ZINC000037555018 556644313 /nfs/dbraw/zinc/64/43/13/556644313.db2.gz DCFVDOWRSGBRKE-UHFFFAOYSA-N 0 0 442.570 2.868 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)ccc21 ZINC000016811451 556644811 /nfs/dbraw/zinc/64/48/11/556644811.db2.gz SBXFESYFVAPMQM-CQSZACIVSA-N 0 0 445.475 2.680 50 0 IFAARN CCn1c2ccc(C)cc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000011726356 556646665 /nfs/dbraw/zinc/64/66/65/556646665.db2.gz WOLBLVFAUOPGSS-QURGRASLSA-N 0 0 445.566 2.793 50 0 IFAARN CC[C@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000016846374 556647101 /nfs/dbraw/zinc/64/71/01/556647101.db2.gz IHNYUCLOPFWDBZ-AWEZNQCLSA-N 0 0 425.551 2.926 50 0 IFAARN COc1ccccc1-c1noc(Cn2cnc3c(nnn3Cc3ccccc3Cl)c2=O)n1 ZINC000038486658 556648863 /nfs/dbraw/zinc/64/88/63/556648863.db2.gz SLDFDGOHWWCISI-UHFFFAOYSA-N 0 0 449.858 2.797 50 0 IFAARN C[C@@H](OC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)C(=O)Nc1cccnc1Cl ZINC000016925587 556649296 /nfs/dbraw/zinc/64/92/96/556649296.db2.gz IXPZLMTVCJUUKL-CQSZACIVSA-N 0 0 442.859 2.555 50 0 IFAARN CCOc1ccc(C(C)C)cc1S(=O)(=O)NCCn1nc(-c2cccnc2)ccc1=O ZINC000011743986 556649830 /nfs/dbraw/zinc/64/98/30/556649830.db2.gz ABXNLAUDTXARQK-UHFFFAOYSA-N 0 0 442.541 2.806 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)c1 ZINC000011748724 556650278 /nfs/dbraw/zinc/65/02/78/556650278.db2.gz VINNWAPULDCPSE-OAHLLOKOSA-N 0 0 433.530 2.570 50 0 IFAARN CCOC(=O)c1[nH]c(COC(=O)/C(=C\c2ccccc2)NC(C)=O)c(C(=O)OCC)c1C ZINC000097653878 556650682 /nfs/dbraw/zinc/65/06/82/556650682.db2.gz SNAVITNXCIOVFJ-SFQUDFHCSA-N 0 0 442.468 2.897 50 0 IFAARN O=C(CN1C(=O)COc2cc(Br)ccc21)N1CCn2c3ccccc3nc21 ZINC000032924515 556651255 /nfs/dbraw/zinc/65/12/55/556651255.db2.gz AVMBWGFDWMVEFU-UHFFFAOYSA-N 0 0 427.258 2.571 50 0 IFAARN Cn1c(=O)c2c(SCC(=O)c3ccc(Cl)cc3)nc(-c3ccco3)nc2n(C)c1=O ZINC000011758289 556652492 /nfs/dbraw/zinc/65/24/92/556652492.db2.gz YZPCPHNPBSCBCS-UHFFFAOYSA-N 0 0 442.884 2.916 50 0 IFAARN Cc1cccc(N2N=C(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CCC2=O)c1 ZINC000032999980 556653736 /nfs/dbraw/zinc/65/37/36/556653736.db2.gz KWNMQUQMDKALBV-IBGZPJMESA-N 0 0 426.542 2.729 50 0 IFAARN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1Br)O2 ZINC000038834923 556654170 /nfs/dbraw/zinc/65/41/70/556654170.db2.gz YSRXJFDZWPWTMB-MRXNPFEDSA-N 0 0 425.304 2.923 50 0 IFAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 ZINC000011780763 556655227 /nfs/dbraw/zinc/65/52/27/556655227.db2.gz GKVOFSBRLWGPHV-UHFFFAOYSA-N 0 0 429.546 2.735 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000032926324 556655414 /nfs/dbraw/zinc/65/54/14/556655414.db2.gz ZEMODIGXISNAFV-QGZVFWFLSA-N 0 0 443.403 2.569 50 0 IFAARN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccc(-n2nccn2)cc1 ZINC000032926594 556655448 /nfs/dbraw/zinc/65/54/48/556655448.db2.gz AISWRKARCXZQKC-UHFFFAOYSA-N 0 0 438.538 2.926 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccc(NC(N)=O)cc1 ZINC000032927574 556656323 /nfs/dbraw/zinc/65/63/23/556656323.db2.gz RFFRHNVTUZOQOI-LLVKDONJSA-N 0 0 444.435 2.509 50 0 IFAARN CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(F)cc1Br ZINC000032927755 556656535 /nfs/dbraw/zinc/65/65/35/556656535.db2.gz CAVJFHHXQBLOOX-UHFFFAOYSA-N 0 0 435.340 2.977 50 0 IFAARN COCCNC(=O)C(=O)Nc1ccc(-c2nnc(N(C)c3ccc(OC)cc3)s2)cc1 ZINC000011797284 556657423 /nfs/dbraw/zinc/65/74/23/556657423.db2.gz NXOCBTJUKMWLQX-UHFFFAOYSA-N 0 0 441.513 2.683 50 0 IFAARN CN1OC[C@H](S(=O)(=O)NC[C@H]2CCCO2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000248018170 556657561 /nfs/dbraw/zinc/65/75/61/556657561.db2.gz DSRILZFVIGYOHB-BHIFYINESA-N 0 0 432.542 2.651 50 0 IFAARN COc1ccc(C(=O)O[C@H](C(N)=O)c2ccccc2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000011809493 556657750 /nfs/dbraw/zinc/65/77/50/556657750.db2.gz ZCOQDXZIWRAMDU-YWZLYKJASA-N 0 0 446.525 2.642 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc1 ZINC000011835043 556659332 /nfs/dbraw/zinc/65/93/32/556659332.db2.gz XGCWBATXIBGPCE-UHFFFAOYSA-N 0 0 430.511 2.614 50 0 IFAARN O=C(CSc1nnc(C(=O)Nc2ccccc2)s1)NCc1ccc2c(c1)OCO2 ZINC000033011957 556660468 /nfs/dbraw/zinc/66/04/68/556660468.db2.gz RAVYKHDNYNROQI-UHFFFAOYSA-N 0 0 428.495 2.928 50 0 IFAARN Cc1nn(C)cc1[C@H]1Oc2ccc(O)cc2C2=Nc3ncnn3[C@H](c3cn(C)nc3C)C21 ZINC000017096860 556660722 /nfs/dbraw/zinc/66/07/22/556660722.db2.gz BUSDNXYLHAFKSX-NHCUHLMSSA-N 0 0 430.472 2.627 50 0 IFAARN C[C@H]1CCc2c(sc(NC(=O)CN3CCN(c4ccccc4F)CC3)c2C(N)=O)C1 ZINC000017097049 556660999 /nfs/dbraw/zinc/66/09/99/556660999.db2.gz DPOQLFRWIPDREJ-AWEZNQCLSA-N 0 0 430.549 2.872 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000017098517 556663183 /nfs/dbraw/zinc/66/31/83/556663183.db2.gz MAHPDVRKQPWXLJ-UHFFFAOYSA-N 0 0 433.555 2.681 50 0 IFAARN CN(CCc1ccncc1)C(=O)c1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1Cl ZINC000011859461 556664107 /nfs/dbraw/zinc/66/41/07/556664107.db2.gz UBPXLGLLLSNPAU-UHFFFAOYSA-N 0 0 435.933 2.752 50 0 IFAARN COc1cccc(-c2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C)s2)c1 ZINC000011865737 556665512 /nfs/dbraw/zinc/66/55/12/556665512.db2.gz ZTUBTZSRECAOAJ-UHFFFAOYSA-N 0 0 431.539 2.747 50 0 IFAARN CCOc1cc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)ccc1OC(C)=O ZINC000013513555 556667286 /nfs/dbraw/zinc/66/72/86/556667286.db2.gz GNYBGNZJCFFIEW-WQRHYEAKSA-N 0 0 425.441 2.829 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3cccnc3)nc3ccccc32)cc1 ZINC000017126092 556668845 /nfs/dbraw/zinc/66/88/45/556668845.db2.gz VGBCDNMXTFMRPT-UHFFFAOYSA-N 0 0 432.505 2.917 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1 ZINC000017126130 556668919 /nfs/dbraw/zinc/66/89/19/556668919.db2.gz BXTKFJOTZPMZLX-UHFFFAOYSA-N 0 0 432.505 2.917 50 0 IFAARN COc1ccc(-c2cn3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)csc3n2)cc1 ZINC000011902247 556669797 /nfs/dbraw/zinc/66/97/97/556669797.db2.gz WNOXCFYGLXIMMP-UHFFFAOYSA-N 0 0 428.495 2.971 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C)C[C@H]3c3ccccc3)C2)s1 ZINC000248160334 556670068 /nfs/dbraw/zinc/67/00/68/556670068.db2.gz XDVVXMGOSHQEGQ-PMACEKPBSA-N 0 0 447.626 2.973 50 0 IFAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 ZINC000011904996 556670974 /nfs/dbraw/zinc/67/09/74/556670974.db2.gz ZTHPQTBHLUJARV-LBPRGKRZSA-N 0 0 428.919 2.762 50 0 IFAARN CS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000032930201 556671103 /nfs/dbraw/zinc/67/11/03/556671103.db2.gz ORGYQOUBQYZJEW-UHFFFAOYSA-N 0 0 427.448 2.903 50 0 IFAARN CS(=O)(=O)N1CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000011906526 556671485 /nfs/dbraw/zinc/67/14/85/556671485.db2.gz QXYZOXOIGUEDLD-UHFFFAOYSA-N 0 0 431.333 2.572 50 0 IFAARN C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)CCN2CCCS2(=O)=O)[C@H]1C ZINC000248170777 556672544 /nfs/dbraw/zinc/67/25/44/556672544.db2.gz VXTORAWHPUQEOC-ZIFCJYIRSA-N 0 0 436.574 2.994 50 0 IFAARN CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccccc2Br)n1 ZINC000011915250 556674367 /nfs/dbraw/zinc/67/43/67/556674367.db2.gz PQNRLQCGXKANOU-UHFFFAOYSA-N 0 0 435.097 2.657 50 0 IFAARN CCCn1c2nc(C(C)C)nc(SCC[S@](=O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000032931572 556674507 /nfs/dbraw/zinc/67/45/07/556674507.db2.gz RGVJUXYAGUYORR-SSEXGKCCSA-N 0 0 446.598 2.924 50 0 IFAARN CNS(=O)(=O)c1ccc(C(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)cc1 ZINC000011919020 556675002 /nfs/dbraw/zinc/67/50/02/556675002.db2.gz JRFBFNRIKYVRKR-UHFFFAOYSA-N 0 0 446.525 2.550 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC=C(C(=O)Nc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000013520315 556675899 /nfs/dbraw/zinc/67/58/99/556675899.db2.gz BTHUOKXHJADPCW-UHFFFAOYSA-N 0 0 429.498 2.613 50 0 IFAARN COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1 ZINC000044893440 556675975 /nfs/dbraw/zinc/67/59/75/556675975.db2.gz QKEGKLFNAGECFC-UHFFFAOYSA-N 0 0 430.935 2.708 50 0 IFAARN O=C(CCn1nnc2ccccc2c1=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000032931861 556676837 /nfs/dbraw/zinc/67/68/37/556676837.db2.gz PISHXLOLDXGJTR-JOCHJYFZSA-N 0 0 427.464 2.678 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(-n3cncn3)cc2)ccc1C ZINC000032935137 556678069 /nfs/dbraw/zinc/67/80/69/556678069.db2.gz QNAHWESEZWNQJZ-UHFFFAOYSA-N 0 0 427.530 2.536 50 0 IFAARN COc1ccc(-c2cc(C(=O)NCCc3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011996982 556679089 /nfs/dbraw/zinc/67/90/89/556679089.db2.gz ZWJSOPFBDXRRID-IBGZPJMESA-N 0 0 439.537 2.891 50 0 IFAARN Cc1cc(=O)c(C(=O)O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)nn1-c1ccccc1F ZINC000010622443 556681128 /nfs/dbraw/zinc/68/11/28/556681128.db2.gz KASRUEPUNJQHIS-OAHLLOKOSA-N 0 0 438.459 2.930 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3CCO[C@@H](c4ccccc4)C3)n2)cc1OC ZINC000044917764 556681949 /nfs/dbraw/zinc/68/19/49/556681949.db2.gz VTSASULZSFKJOP-JOCHJYFZSA-N 0 0 435.480 2.528 50 0 IFAARN COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(Nc4ccccc4F)CC3)C2=O)cc1 ZINC000018217923 556687390 /nfs/dbraw/zinc/68/73/90/556687390.db2.gz IPCOVKFEMUXFOA-HXUWFJFHSA-N 0 0 425.460 2.821 50 0 IFAARN C[C@H](OC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000072312590 556687629 /nfs/dbraw/zinc/68/76/29/556687629.db2.gz NLMAQRYIRQMXGR-PRWKNARSSA-N 0 0 449.385 2.944 50 0 IFAARN FC(F)(F)Cn1c(SCc2ccc(-n3ccnc3)nc2)nnc1N1CCOCC1 ZINC000072312958 556687954 /nfs/dbraw/zinc/68/79/54/556687954.db2.gz LJTAOBFMKMFUAJ-UHFFFAOYSA-N 0 0 425.440 2.550 50 0 IFAARN Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000018285165 556688999 /nfs/dbraw/zinc/68/89/99/556688999.db2.gz QBZFOJBKWDXBPC-ROUUACIJSA-N 0 0 444.491 2.617 50 0 IFAARN Cc1cc2ncn(C[C@@H](O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)c2cc1C ZINC000071949257 556689042 /nfs/dbraw/zinc/68/90/42/556689042.db2.gz FUAMUSMYDLJIHB-NLFFAJNJSA-N 0 0 432.524 2.970 50 0 IFAARN C[C@@H](CC(=O)NCc1cccs1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005600 556689618 /nfs/dbraw/zinc/68/96/18/556689618.db2.gz BACCLGJJJCPVSQ-CQSZACIVSA-N 0 0 425.489 2.966 50 0 IFAARN CC[C@@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(Cl)cc3)ccc21 ZINC000033023743 556693877 /nfs/dbraw/zinc/69/38/77/556693877.db2.gz XCQDWXMPGRAAHJ-CQSZACIVSA-N 0 0 449.964 2.993 50 0 IFAARN CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(Cl)cc3)ccc21 ZINC000033023877 556694093 /nfs/dbraw/zinc/69/40/93/556694093.db2.gz UDXUJCJXKMMVPQ-UHFFFAOYSA-N 0 0 435.937 2.603 50 0 IFAARN COc1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000013548485 556696705 /nfs/dbraw/zinc/69/67/05/556696705.db2.gz FGYQCTPAKGJCAW-MRXNPFEDSA-N 0 0 449.511 2.671 50 0 IFAARN CC[C@H](C)NC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033024918 556698383 /nfs/dbraw/zinc/69/83/83/556698383.db2.gz DTNDTNSEXMLBBN-AWEZNQCLSA-N 0 0 429.546 2.947 50 0 IFAARN Cn1c2nc(NCc3cccnc3)n(Cc3cccc(C(F)(F)F)c3)c2c(=O)n(C)c1=O ZINC000049574158 556706871 /nfs/dbraw/zinc/70/68/71/556706871.db2.gz PQUUMFBNVFTRNU-UHFFFAOYSA-N 0 0 444.417 2.508 50 0 IFAARN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1nnc(COc2ccc(F)cc2)s1 ZINC000033027683 556707119 /nfs/dbraw/zinc/70/71/19/556707119.db2.gz IOFFMAZZWUEJMD-UHFFFAOYSA-N 0 0 442.472 2.981 50 0 IFAARN COc1cccc([C@H]2CN(C(=O)NC(C)C)C[C@@H]2C(=O)NCc2ccccn2)c1OC ZINC000036055255 556709799 /nfs/dbraw/zinc/70/97/99/556709799.db2.gz ULHPPGFYEZAJLT-MOPGFXCFSA-N 0 0 426.517 2.549 50 0 IFAARN Cc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1Cl ZINC000019214384 556711277 /nfs/dbraw/zinc/71/12/77/556711277.db2.gz FESAVINAIRTZJW-IBGZPJMESA-N 0 0 441.915 2.827 50 0 IFAARN COc1ccc2c(c1)occ(Oc1ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc1)c2=O ZINC000013729079 556721460 /nfs/dbraw/zinc/72/14/60/556721460.db2.gz NJXCCHWGLCVKTD-CQSZACIVSA-N 0 0 429.450 2.511 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000033037851 556723418 /nfs/dbraw/zinc/72/34/18/556723418.db2.gz QHKDPUGLDYWTJZ-UHFFFAOYSA-N 0 0 447.495 2.763 50 0 IFAARN COc1ccc(CCNC(=O)Cn2cnc3cc(NC(=O)NC(C)C)ccc32)cc1OC ZINC000061718339 556724952 /nfs/dbraw/zinc/72/49/52/556724952.db2.gz QSUATLMELGIFEG-UHFFFAOYSA-N 0 0 439.516 2.942 50 0 IFAARN C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000061718514 556724965 /nfs/dbraw/zinc/72/49/65/556724965.db2.gz DUAGQMPOMINUTI-HNNXBMFYSA-N 0 0 428.562 2.666 50 0 IFAARN CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=O ZINC000141765038 556725239 /nfs/dbraw/zinc/72/52/39/556725239.db2.gz NKWDXXRTRBDFKO-FXSVLNLJSA-N 0 0 441.505 2.604 50 0 IFAARN O=C(Nc1ccc(F)c(F)c1)[C@H]1CC(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000061720357 556727722 /nfs/dbraw/zinc/72/77/22/556727722.db2.gz QUILDPUBDKSIRP-AWEZNQCLSA-N 0 0 440.406 2.772 50 0 IFAARN CCN(CC)C(=O)CSc1ncc2c(n1)-c1ccc(Cl)cc1N(C)S2(=O)=O ZINC000033039660 556731608 /nfs/dbraw/zinc/73/16/08/556731608.db2.gz DYVCFVCVZCVOCO-UHFFFAOYSA-N 0 0 426.951 2.896 50 0 IFAARN O=C(CCc1nc(-c2cccc(F)c2)no1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000072332123 556731710 /nfs/dbraw/zinc/73/17/10/556731710.db2.gz UUJPKNHCGXBBTM-UHFFFAOYSA-N 0 0 438.459 2.881 50 0 IFAARN COC(=O)c1cccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000055042291 556732797 /nfs/dbraw/zinc/73/27/97/556732797.db2.gz OEZORHIDWPQFMX-OAQYLSRUSA-N 0 0 437.540 2.909 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000055042338 556732807 /nfs/dbraw/zinc/73/28/07/556732807.db2.gz IYGNRRSTKOUBED-OAQYLSRUSA-N 0 0 444.938 2.518 50 0 IFAARN COc1cccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)c1 ZINC000055060722 556732958 /nfs/dbraw/zinc/73/29/58/556732958.db2.gz YNPHSZDZNBZAJY-HXUWFJFHSA-N 0 0 433.911 2.837 50 0 IFAARN CCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccc(OC)c4)n3)c2C2CC2)CC1 ZINC000055088213 556734089 /nfs/dbraw/zinc/73/40/89/556734089.db2.gz KXHTWAPGWADVJZ-UHFFFAOYSA-N 0 0 432.528 2.993 50 0 IFAARN COCCS(=O)(=O)c1ncc(CN(C)[C@H](C)c2ccccn2)n1Cc1ccccc1 ZINC000055099902 556734642 /nfs/dbraw/zinc/73/46/42/556734642.db2.gz SLHFMFFGWOYUKQ-GOSISDBHSA-N 0 0 428.558 2.940 50 0 IFAARN COc1ccccc1CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 ZINC000055109161 556734843 /nfs/dbraw/zinc/73/48/43/556734843.db2.gz HAKWKRXUJOFICD-FQEVSTJZSA-N 0 0 433.574 2.886 50 0 IFAARN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000078879185 556735976 /nfs/dbraw/zinc/73/59/76/556735976.db2.gz YORXHAGGXQUURF-QUCCMNQESA-N 0 0 431.552 2.828 50 0 IFAARN CCN(CC)C(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000055190578 556737248 /nfs/dbraw/zinc/73/72/48/556737248.db2.gz MYIJCHMIRGSJHK-WMLDXEAASA-N 0 0 436.350 2.661 50 0 IFAARN CCN(CC)C(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000055190575 556737290 /nfs/dbraw/zinc/73/72/90/556737290.db2.gz MYIJCHMIRGSJHK-RHSMWYFYSA-N 0 0 436.350 2.661 50 0 IFAARN Cn1ccnc1C[C@H](NC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1)c1ccccc1 ZINC000079102778 556737352 /nfs/dbraw/zinc/73/73/52/556737352.db2.gz OLMIYIYCWAALAZ-FQEVSTJZSA-N 0 0 428.496 2.704 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccccn1)NCC(c1ccccc1)c1ccccc1 ZINC000055228362 556738304 /nfs/dbraw/zinc/73/83/04/556738304.db2.gz BKIZNUBHKTYDIC-DEOSSOPVSA-N 0 0 428.536 2.720 50 0 IFAARN Cc1cccc(CN2CCN(C(=O)CN(C)CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000024336063 556739289 /nfs/dbraw/zinc/73/92/89/556739289.db2.gz HFEKLNVOTBIWMH-UHFFFAOYSA-N 0 0 428.964 2.863 50 0 IFAARN O=C(COc1ccc2c(c1)OCO2)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000013801580 556742423 /nfs/dbraw/zinc/74/24/23/556742423.db2.gz AKRPTKFHPQTZQW-UHFFFAOYSA-N 0 0 441.871 2.878 50 0 IFAARN O=C(NC1CCCCCC1)c1ccc(CN2CCN(Cc3ccccn3)C(=O)C2=O)cc1 ZINC000065306526 556744707 /nfs/dbraw/zinc/74/47/07/556744707.db2.gz QMIWWMXPWHDNNO-UHFFFAOYSA-N 0 0 434.540 2.905 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cccc4c3ccn4C)C2=O)cc1OC ZINC000206230809 556748901 /nfs/dbraw/zinc/74/89/01/556748901.db2.gz ZUWJEYUMBUGFCT-QGZVFWFLSA-N 0 0 436.468 2.645 50 0 IFAARN O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1)Nc1cccc(F)c1 ZINC000060369349 556749083 /nfs/dbraw/zinc/74/90/83/556749083.db2.gz PQPRQFBKFDUROV-FUHWJXTLSA-N 0 0 430.524 2.834 50 0 IFAARN COc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)n[nH]1 ZINC000206238740 556749278 /nfs/dbraw/zinc/74/92/78/556749278.db2.gz LTKKIDVNYGIBHJ-LJQANCHMSA-N 0 0 431.452 2.894 50 0 IFAARN CSCC[C@H]1NC(=O)c2cc(NC(=O)c3cc(=O)[nH]c4ccccc43)ccc2NC1=O ZINC000206241351 556749472 /nfs/dbraw/zinc/74/94/72/556749472.db2.gz YUWYAMNPLZTYIQ-GOSISDBHSA-N 0 0 436.493 2.584 50 0 IFAARN Cc1cc(=O)oc2cc(NC(=O)NCCS(=O)(=O)N3CCc4ccccc43)ccc12 ZINC000057964369 556750089 /nfs/dbraw/zinc/75/00/89/556750089.db2.gz WZIZOBLGACVZMW-UHFFFAOYSA-N 0 0 427.482 2.615 50 0 IFAARN O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000057985999 556750452 /nfs/dbraw/zinc/75/04/52/556750452.db2.gz LDIXZQTZENGLTF-GFCCVEGCSA-N 0 0 445.385 2.903 50 0 IFAARN Cc1[nH]nc2nc(-c3ccccc3)cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c12 ZINC000072332392 556750694 /nfs/dbraw/zinc/75/06/94/556750694.db2.gz WYDUNIVGKYYXBA-UHFFFAOYSA-N 0 0 435.509 2.553 50 0 IFAARN NC(=O)c1cccc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1 ZINC000058005064 556752540 /nfs/dbraw/zinc/75/25/40/556752540.db2.gz KCIHZORRCUSPOU-UHFFFAOYSA-N 0 0 429.523 2.597 50 0 IFAARN COc1cccc(C[C@@H](C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)n2nnnc2C)c1 ZINC000058014120 556753440 /nfs/dbraw/zinc/75/34/40/556753440.db2.gz ADYOACDIOTUKFS-KNQAVFIVSA-N 0 0 448.527 2.651 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 ZINC000058066931 556756424 /nfs/dbraw/zinc/75/64/24/556756424.db2.gz RMOPJBDNFBKYJE-OAQYLSRUSA-N 0 0 447.495 2.935 50 0 IFAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000058111570 556758951 /nfs/dbraw/zinc/75/89/51/556758951.db2.gz XFUHEVVPGSWOGG-CTNGQTDRSA-N 0 0 431.558 2.834 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 ZINC000058137118 556760758 /nfs/dbraw/zinc/76/07/58/556760758.db2.gz SHKBEPIEEYOGDT-NRFANRHFSA-N 0 0 441.553 2.697 50 0 IFAARN COc1ccccc1NC(=O)COc1ccc(C(=O)N[C@H](C)c2nc(C)no2)cc1OC ZINC000058139141 556760763 /nfs/dbraw/zinc/76/07/63/556760763.db2.gz XLXMIGIMGCRBCH-CYBMUJFWSA-N 0 0 440.456 2.904 50 0 IFAARN CC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)CC2)cc1 ZINC000058137972 556760803 /nfs/dbraw/zinc/76/08/03/556760803.db2.gz SZIWGSKMWTYMAZ-UHFFFAOYSA-N 0 0 449.960 2.707 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CCN(c2ccccc2)CC1 ZINC000058152242 556762257 /nfs/dbraw/zinc/76/22/57/556762257.db2.gz GEXNEWRTMUOUAI-UHFFFAOYSA-N 0 0 445.361 2.634 50 0 IFAARN C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1ccc2c(c1)CC(=O)N2 ZINC000058156424 556762782 /nfs/dbraw/zinc/76/27/82/556762782.db2.gz GBAMHWZHPWIYFQ-CYBMUJFWSA-N 0 0 433.555 2.908 50 0 IFAARN Cc1nc(NC(=O)[C@@H](C)Cn2nc(-c3cccs3)ccc2=O)sc1C(=O)N(C)C ZINC000061984101 556763392 /nfs/dbraw/zinc/76/33/92/556763392.db2.gz HBSGYDYLKKWEMK-NSHDSACASA-N 0 0 431.543 2.713 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)[C@H](C)Cn2nc(-c3cccs3)ccc2=O)n1 ZINC000061984109 556763417 /nfs/dbraw/zinc/76/34/17/556763417.db2.gz JYPFJJBUXRBYBF-GFCCVEGCSA-N 0 0 432.527 2.809 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CN(C)CC(=O)Nc2ccc(F)c(F)c2F)n1 ZINC000058159565 556763816 /nfs/dbraw/zinc/76/38/16/556763816.db2.gz YKZAQVDFLNFBPN-UHFFFAOYSA-N 0 0 431.422 2.994 50 0 IFAARN COC(=O)[C@@H](NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(C)C ZINC000062001388 556764445 /nfs/dbraw/zinc/76/44/45/556764445.db2.gz ZUFBDLDVHVDDQX-FQEVSTJZSA-N 0 0 431.485 2.898 50 0 IFAARN O=C(Cn1c(=O)cnc2cc(C(=O)NC3CCCC3)ccc21)NCc1ccc(F)cc1F ZINC000062007120 556765081 /nfs/dbraw/zinc/76/50/81/556765081.db2.gz NWPQOKOXOCXESH-UHFFFAOYSA-N 0 0 440.450 2.664 50 0 IFAARN O=C(Cc1nnc(-c2cccc(Br)c2)o1)N1CCN(c2ccccn2)CC1 ZINC000062007238 556765657 /nfs/dbraw/zinc/76/56/57/556765657.db2.gz ZSIPXKIFXYCDAG-UHFFFAOYSA-N 0 0 428.290 2.785 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(Cc2nc(-c3cccnc3)no2)C1 ZINC000062022914 556766157 /nfs/dbraw/zinc/76/61/57/556766157.db2.gz NHJRNMQKXUMDIL-IBGZPJMESA-N 0 0 448.527 2.819 50 0 IFAARN COc1ccc2nc(N3CC(C(=O)Nc4nc(C)c(C(=O)N(C)C)s4)C3)sc2c1 ZINC000062023131 556766582 /nfs/dbraw/zinc/76/65/82/556766582.db2.gz HRFHHVRCIGZODQ-UHFFFAOYSA-N 0 0 431.543 2.847 50 0 IFAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCN(c3ncccn3)CC2)c1 ZINC000058176660 556769740 /nfs/dbraw/zinc/76/97/40/556769740.db2.gz UHRSKIZOYHHTHG-UHFFFAOYSA-N 0 0 430.512 2.798 50 0 IFAARN CCn1cc(NC(=O)C2CCN(CC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)cn1 ZINC000058201330 556771119 /nfs/dbraw/zinc/77/11/19/556771119.db2.gz SSNLBQUAGKBJCX-UHFFFAOYSA-N 0 0 449.559 2.995 50 0 IFAARN Cc1ncc(CN(C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000058308110 556779548 /nfs/dbraw/zinc/77/95/48/556779548.db2.gz DRGVAVDQJDJKQB-KBPBESRZSA-N 0 0 438.575 2.913 50 0 IFAARN COc1ccc(-c2noc(CN3CCN(Cc4nccn4CC(F)(F)F)CC3)n2)cc1 ZINC000058356750 556782673 /nfs/dbraw/zinc/78/26/73/556782673.db2.gz LNGHSXOTPXJFSA-UHFFFAOYSA-N 0 0 436.438 2.822 50 0 IFAARN COc1cc(I)c(Cl)cc1C(=O)N(C)CC(=O)NC(C)(C)C ZINC000058356835 556782729 /nfs/dbraw/zinc/78/27/29/556782729.db2.gz RHKDAAQTJAEJFZ-UHFFFAOYSA-N 0 0 438.693 2.940 50 0 IFAARN COc1cc(I)c(Cl)cc1C(=O)NCCNc1ncccn1 ZINC000058377955 556784082 /nfs/dbraw/zinc/78/40/82/556784082.db2.gz OTDLNKPLYAFUKK-UHFFFAOYSA-N 0 0 432.649 2.585 50 0 IFAARN CONS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000058404406 556785689 /nfs/dbraw/zinc/78/56/89/556785689.db2.gz XUWFBCHKSMOOOK-SFHVURJKSA-N 0 0 432.498 2.665 50 0 IFAARN CS(=O)(=O)N1CCC[C@H](NC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000058418794 556787041 /nfs/dbraw/zinc/78/70/41/556787041.db2.gz GLQBBEWGNKFQPO-INIZCTEOSA-N 0 0 441.347 2.521 50 0 IFAARN CS(=O)(=O)N1CCC(NC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CC1 ZINC000058440894 556788989 /nfs/dbraw/zinc/78/89/89/556788989.db2.gz JNMAJSFVLXEOEZ-UHFFFAOYSA-N 0 0 447.513 2.540 50 0 IFAARN COc1cccc(NC(=O)COc2ccc(C(=O)N[C@H](C)c3nnc4n3CCC4)cc2)c1 ZINC000058828811 556792291 /nfs/dbraw/zinc/79/22/91/556792291.db2.gz VOLULXFIEUDPDZ-OAHLLOKOSA-N 0 0 435.484 2.741 50 0 IFAARN COCc1cccc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1 ZINC000058970052 556793376 /nfs/dbraw/zinc/79/33/76/556793376.db2.gz MWEROBAGXIMMNZ-HXUWFJFHSA-N 0 0 426.513 2.558 50 0 IFAARN COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000059309116 556797521 /nfs/dbraw/zinc/79/75/21/556797521.db2.gz PNXVQRLKDFTJHB-IBGZPJMESA-N 0 0 428.916 2.933 50 0 IFAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)NC(N)=O)n2CCc2ccccc2)cc1 ZINC000002622787 556800467 /nfs/dbraw/zinc/80/04/67/556800467.db2.gz MZTYUFAKGCRTEX-AWEZNQCLSA-N 0 0 425.514 2.872 50 0 IFAARN O=C(NCCn1ccc2ccc(F)cc21)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000072401480 556800635 /nfs/dbraw/zinc/80/06/35/556800635.db2.gz CZKUJVDXMLNDOI-SFHVURJKSA-N 0 0 429.517 2.998 50 0 IFAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000059749703 556803954 /nfs/dbraw/zinc/80/39/54/556803954.db2.gz PVISZHZVDDRCHI-UHFFFAOYSA-N 0 0 438.594 2.829 50 0 IFAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1 ZINC000059759597 556804223 /nfs/dbraw/zinc/80/42/23/556804223.db2.gz BZOKNSWEUBCUBW-SFHVURJKSA-N 0 0 430.549 2.708 50 0 IFAARN O=c1[nH]nc(SCc2nc(-c3cc(Br)cs3)no2)n1C[C@@H]1CCCO1 ZINC000059832462 556804637 /nfs/dbraw/zinc/80/46/37/556804637.db2.gz BCPJHBSMFSDKAG-VIFPVBQESA-N 0 0 444.336 2.917 50 0 IFAARN COc1ccccc1N1C[C@H](C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC1=O ZINC000060064697 556806291 /nfs/dbraw/zinc/80/62/91/556806291.db2.gz QHQQLPBEIDVEQD-GHTZIAJQSA-N 0 0 437.540 2.585 50 0 IFAARN CCOc1ccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 ZINC000060082795 556806353 /nfs/dbraw/zinc/80/63/53/556806353.db2.gz DQZGOSNYZABEPJ-INIZCTEOSA-N 0 0 425.485 2.510 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000005451008 556806390 /nfs/dbraw/zinc/80/63/90/556806390.db2.gz KHGQXIQAYOHPEM-NRFANRHFSA-N 0 0 426.513 2.827 50 0 IFAARN CCN(CC)[C@H](CNS(=O)(=O)c1cccc(-n2cnnn2)c1)c1ccccc1Cl ZINC000060062057 556806406 /nfs/dbraw/zinc/80/64/06/556806406.db2.gz CFJFFGRZBKXKGD-LJQANCHMSA-N 0 0 434.953 2.677 50 0 IFAARN CCOC(=O)CCN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC000060166501 556806938 /nfs/dbraw/zinc/80/69/38/556806938.db2.gz UGQDGUGXVZVGTJ-LJQANCHMSA-N 0 0 439.512 2.734 50 0 IFAARN Cc1nn(CC(=O)NCCC(C)C)c(=O)c2c1nn(-c1cccc(F)c1)c2-n1cccc1 ZINC000033058117 556807512 /nfs/dbraw/zinc/80/75/12/556807512.db2.gz MXYPOXIFSDNQAO-UHFFFAOYSA-N 0 0 436.491 2.983 50 0 IFAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)NCCN1CCCS1(=O)=O ZINC000096402503 556807557 /nfs/dbraw/zinc/80/75/57/556807557.db2.gz WHGPIRVWSAQJIZ-SEYXRHQNSA-N 0 0 436.537 2.704 50 0 IFAARN Cc1oc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1S(=O)(=O)Nc1cc(C)ccc1F ZINC000097940927 556811036 /nfs/dbraw/zinc/81/10/36/556811036.db2.gz AJGOPBYYANGQKI-UHFFFAOYSA-N 0 0 448.476 2.699 50 0 IFAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccc(F)cc5)CC4)c3CO2)cc1 ZINC000097943623 556813198 /nfs/dbraw/zinc/81/31/98/556813198.db2.gz DBNQVCCEGIWQRS-NRFANRHFSA-N 0 0 449.486 2.595 50 0 IFAARN CC[C@@H](C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)CC1 ZINC000097943689 556813467 /nfs/dbraw/zinc/81/34/67/556813467.db2.gz DMPGKTZKSSSLSK-UZLBHIALSA-N 0 0 425.533 2.625 50 0 IFAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NC5CCCC5)CC4)c3CO2)cc1 ZINC000097943693 556813472 /nfs/dbraw/zinc/81/34/72/556813472.db2.gz GRXMXIMFSHAMDI-NRFANRHFSA-N 0 0 437.544 2.769 50 0 IFAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5cccc(F)c5)CC4)c3CO2)cc1 ZINC000097943627 556813485 /nfs/dbraw/zinc/81/34/85/556813485.db2.gz DNZRNPLLJLQGHI-NRFANRHFSA-N 0 0 449.486 2.595 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC2CC2)c1 ZINC000003464162 556816347 /nfs/dbraw/zinc/81/63/47/556816347.db2.gz KTGVXHPSWSDHGF-UHFFFAOYSA-N 0 0 436.917 2.596 50 0 IFAARN CCc1nc2ccccc2c(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1C ZINC000003474742 556816603 /nfs/dbraw/zinc/81/66/03/556816603.db2.gz HYDUFWMLOKDPBI-UHFFFAOYSA-N 0 0 435.480 2.840 50 0 IFAARN Cc1ccsc1CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000064031483 556822345 /nfs/dbraw/zinc/82/23/45/556822345.db2.gz IYTXASQLVLNKHM-MSOLQXFVSA-N 0 0 430.965 2.871 50 0 IFAARN CCn1c(SCCC(=O)Nc2ccc(C)cc2Cl)nc2c1n(C)c(=O)n(C)c2=O ZINC000064762113 556826406 /nfs/dbraw/zinc/82/64/06/556826406.db2.gz ZXIWCLQLNGDODY-UHFFFAOYSA-N 0 0 435.937 2.536 50 0 IFAARN COC(=O)c1ccc(Cl)cc1NC(=O)N1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000064893520 556828671 /nfs/dbraw/zinc/82/86/71/556828671.db2.gz LFYAESAHNNHBGQ-UHFFFAOYSA-N 0 0 445.907 2.686 50 0 IFAARN C[C@@H](C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)N1C(=O)c2ccccc2C1=O ZINC000019604071 556831035 /nfs/dbraw/zinc/83/10/35/556831035.db2.gz JMAWCHYRNCIJIH-ZDUSSCGKSA-N 0 0 436.493 2.756 50 0 IFAARN COc1ccc(OC)c(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000019608258 556831282 /nfs/dbraw/zinc/83/12/82/556831282.db2.gz HYKYMRHUQMWBDV-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN COc1cc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1 ZINC000019608282 556831298 /nfs/dbraw/zinc/83/12/98/556831298.db2.gz WKLLLQIHOKYBJC-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)c(C)n2n1 ZINC000019614029 556831537 /nfs/dbraw/zinc/83/15/37/556831537.db2.gz UCXIKWYQTNRTTF-UHFFFAOYSA-N 0 0 443.573 2.634 50 0 IFAARN CCn1cc(NC(=S)Nc2sc(C)c(C)c2C(=O)OC)c(C(=O)NCCOC)n1 ZINC000019630231 556832326 /nfs/dbraw/zinc/83/23/26/556832326.db2.gz GKFHXWBHIKSQAY-UHFFFAOYSA-N 0 0 439.563 2.553 50 0 IFAARN Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 ZINC000065363202 556834912 /nfs/dbraw/zinc/83/49/12/556834912.db2.gz DNWLSFJBLSBONP-UHFFFAOYSA-N 0 0 428.493 2.574 50 0 IFAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1c(F)cccc1F)CC(=O)N2 ZINC000065365821 556836134 /nfs/dbraw/zinc/83/61/34/556836134.db2.gz QGEGBZAFALDRHJ-ZDUSSCGKSA-N 0 0 426.427 2.560 50 0 IFAARN CCS(=O)(=O)NCCCNC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000062580466 556836124 /nfs/dbraw/zinc/83/61/24/556836124.db2.gz PJYDZMGZLXLRNM-UHFFFAOYSA-N 0 0 438.394 2.693 50 0 IFAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1cccc(-c3ccc(=O)[nH]n3)c1)C2=O ZINC000062580351 556836147 /nfs/dbraw/zinc/83/61/47/556836147.db2.gz QHMYISDXHPOZEJ-PSLXWICFSA-N 0 0 437.500 2.512 50 0 IFAARN C[C@@H]1CN(c2ccccc2NC(=O)NCCNS(=O)(=O)Cc2ccccc2)C[C@@H](C)O1 ZINC000062580902 556836646 /nfs/dbraw/zinc/83/66/46/556836646.db2.gz RVHRNLKEYXCGMR-QZTJIDSGSA-N 0 0 446.573 2.541 50 0 IFAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CCc2ccc(=O)[nH]n2)CC1 ZINC000019641823 556837896 /nfs/dbraw/zinc/83/78/96/556837896.db2.gz RNPDSRMPXYWHPK-UHFFFAOYSA-N 0 0 425.529 2.897 50 0 IFAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCCN4CCOCC4)c3n2)cc1 ZINC000019643249 556838151 /nfs/dbraw/zinc/83/81/51/556838151.db2.gz IIJPKENTKDNLHX-UHFFFAOYSA-N 0 0 445.470 2.795 50 0 IFAARN C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)N1CCSCC1 ZINC000072405637 556840666 /nfs/dbraw/zinc/84/06/66/556840666.db2.gz QPZLDIDTMCWNTJ-ZDUSSCGKSA-N 0 0 431.389 2.789 50 0 IFAARN COc1ccc2c(ccn2CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000072406019 556841892 /nfs/dbraw/zinc/84/18/92/556841892.db2.gz ZXKRMDJQWQDTPE-UHFFFAOYSA-N 0 0 441.553 2.867 50 0 IFAARN COC(=O)C1CCN(C(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)CC1 ZINC000008707778 556842548 /nfs/dbraw/zinc/84/25/48/556842548.db2.gz JOKOVJBKEIFPCL-UHFFFAOYSA-N 0 0 435.480 2.902 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008723507 556843412 /nfs/dbraw/zinc/84/34/12/556843412.db2.gz WFKFFHNLSQPBAJ-CYBMUJFWSA-N 0 0 431.539 2.972 50 0 IFAARN Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)nn2)n1 ZINC000067621382 556844690 /nfs/dbraw/zinc/84/46/90/556844690.db2.gz UYRBPVBQPHQJPJ-UHFFFAOYSA-N 0 0 446.483 2.713 50 0 IFAARN Cc1nc(-n2ccnc2)cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000067621547 556844873 /nfs/dbraw/zinc/84/48/73/556844873.db2.gz JDRGQBZELBZCIC-UHFFFAOYSA-N 0 0 434.525 2.635 50 0 IFAARN COc1cccc(NC(=O)[C@H](C)OC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c1 ZINC000008752835 556845348 /nfs/dbraw/zinc/84/53/48/556845348.db2.gz ZAJBLWFMAFHBEX-LBPRGKRZSA-N 0 0 427.482 2.905 50 0 IFAARN C[C@H](OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)C(=O)Nc1ccc(F)cc1 ZINC000008746916 556845381 /nfs/dbraw/zinc/84/53/81/556845381.db2.gz JOFZASQDFYKKHR-NSHDSACASA-N 0 0 449.485 2.621 50 0 IFAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NCc3cccs3)cc1O2 ZINC000008765302 556845969 /nfs/dbraw/zinc/84/59/69/556845969.db2.gz QKRBOPKTGRKDMI-UHFFFAOYSA-N 0 0 428.510 2.790 50 0 IFAARN COC(=O)c1cc(NC(=O)/C=C\c2cc(OC)c3c(c2)OCCO3)cc(C(=O)OC)c1 ZINC000096809510 556845955 /nfs/dbraw/zinc/84/59/55/556845955.db2.gz YRWHELLTOLKZSA-PLNGDYQASA-N 0 0 427.409 2.692 50 0 IFAARN O=C(CN1CCCN(Cc2ccccc2)S1(=O)=O)Nc1ccc(Br)cc1 ZINC000096834609 556847272 /nfs/dbraw/zinc/84/72/72/556847272.db2.gz YXLQIUZQXKMEQC-UHFFFAOYSA-N 0 0 438.347 2.840 50 0 IFAARN COc1ccc(CN2CCCN(CC(=O)Nc3ccc(Cl)cc3F)S2(=O)=O)cc1 ZINC000096834604 556847290 /nfs/dbraw/zinc/84/72/90/556847290.db2.gz YUBOOFAAEBVNSH-UHFFFAOYSA-N 0 0 441.912 2.879 50 0 IFAARN CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000023016507 556848123 /nfs/dbraw/zinc/84/81/23/556848123.db2.gz RFQJXRKGMSCFHT-UHFFFAOYSA-N 0 0 438.527 2.587 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c3ccccc3oc2C(N)=O)cc1 ZINC000008892789 556851127 /nfs/dbraw/zinc/85/11/27/556851127.db2.gz OCYADSRURSNXSJ-INIZCTEOSA-N 0 0 427.482 2.632 50 0 IFAARN COC(=O)c1ccc(NC(=O)C2CCN(c3cc(C(=O)N4CCCC4)ccn3)CC2)cc1 ZINC000033073834 556853040 /nfs/dbraw/zinc/85/30/40/556853040.db2.gz GSNWWAMCCNZKSE-UHFFFAOYSA-N 0 0 436.512 2.959 50 0 IFAARN CCn1c(=O)c2cc(Br)ccc2nc1SCC(=O)NC[C@H]1CCCO1 ZINC000008946041 556853337 /nfs/dbraw/zinc/85/33/37/556853337.db2.gz ZEYYGXDSICIVOS-GFCCVEGCSA-N 0 0 426.336 2.566 50 0 IFAARN COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NC[C@@H]5CCCO5)CC4)c32)cc1 ZINC000033084875 556855174 /nfs/dbraw/zinc/85/51/74/556855174.db2.gz WFGZJISKWTVNCN-SFHVURJKSA-N 0 0 437.500 2.805 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)C2CCN(c3nc4ccccc4nc3OC)CC2)CC1 ZINC000033114789 556861485 /nfs/dbraw/zinc/86/14/85/556861485.db2.gz MWUGLIPHHMGIKV-UHFFFAOYSA-N 0 0 441.532 2.592 50 0 IFAARN COc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3cc(F)cc(F)c3)CC2)cc1 ZINC000033122663 556863714 /nfs/dbraw/zinc/86/37/14/556863714.db2.gz HSBHNFKHUAQZKA-UHFFFAOYSA-N 0 0 425.457 2.948 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccc(Cl)c2)c1=O ZINC000033140938 556876779 /nfs/dbraw/zinc/87/67/79/556876779.db2.gz SZWKQFCKFKPQKB-UHFFFAOYSA-N 0 0 447.948 2.922 50 0 IFAARN CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc([C@@H]4CCCO4)s3)n2)cc1 ZINC000071283595 556880335 /nfs/dbraw/zinc/88/03/35/556880335.db2.gz MUUSLZVWHUSCKU-HNNXBMFYSA-N 0 0 429.527 2.974 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)-c3oncc3CO4)CC2)c1 ZINC000033171209 556882260 /nfs/dbraw/zinc/88/22/60/556882260.db2.gz MRLKXMXTPPVILV-UHFFFAOYSA-N 0 0 427.482 2.754 50 0 IFAARN O=C(NCCc1cccs1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000033170017 556885179 /nfs/dbraw/zinc/88/51/79/556885179.db2.gz RUWUYQBPTUJSRY-UHFFFAOYSA-N 0 0 432.527 2.555 50 0 IFAARN O=C(CN1c2ccccc2CCCC1=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000033249597 556889540 /nfs/dbraw/zinc/88/95/40/556889540.db2.gz SZWMHXPNGOSAOB-UHFFFAOYSA-N 0 0 440.975 2.948 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3ccccc3F)CC2)cc1 ZINC000033254652 556890983 /nfs/dbraw/zinc/89/09/83/556890983.db2.gz GEHYGEFLHAJPLP-UHFFFAOYSA-N 0 0 447.532 2.891 50 0 IFAARN CCn1c(=O)c(N2CCC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)nc2cccnc21 ZINC000033259409 556894510 /nfs/dbraw/zinc/89/45/10/556894510.db2.gz DXOCUEFZDCZYJS-SFHVURJKSA-N 0 0 444.539 2.868 50 0 IFAARN O=C(NC1CC1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000033255653 556894986 /nfs/dbraw/zinc/89/49/86/556894986.db2.gz VNCUXYWVPZBAJJ-SFHVURJKSA-N 0 0 442.585 2.904 50 0 IFAARN Cc1noc(C)c1CCNC(=O)COCc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000033256915 556895461 /nfs/dbraw/zinc/89/54/61/556895461.db2.gz QQLKJWOXPCEGCN-UHFFFAOYSA-N 0 0 429.502 2.579 50 0 IFAARN Cc1c(N2CCC(C(=O)NC3CCCCCC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000033258750 556896584 /nfs/dbraw/zinc/89/65/84/556896584.db2.gz YWTPECKHCGIPPO-UHFFFAOYSA-N 0 0 438.572 2.900 50 0 IFAARN COc1ccc(NC(=O)C2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1 ZINC000033258779 556896598 /nfs/dbraw/zinc/89/65/98/556896598.db2.gz XIRBRDRHJLVJDG-UHFFFAOYSA-N 0 0 448.523 2.708 50 0 IFAARN O=C(Cn1nc2ccc(Sc3cccc(F)c3)nn2c1=O)NCc1ccc(F)cc1 ZINC000033261797 556899887 /nfs/dbraw/zinc/89/98/87/556899887.db2.gz XNWKRNMRRPCEIJ-UHFFFAOYSA-N 0 0 427.436 2.637 50 0 IFAARN O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)CC1 ZINC000033262089 556900216 /nfs/dbraw/zinc/90/02/16/556900216.db2.gz QRIOEBPDIDHKAY-UHFFFAOYSA-N 0 0 432.477 2.526 50 0 IFAARN Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)cc1 ZINC000033262196 556900373 /nfs/dbraw/zinc/90/03/73/556900373.db2.gz HYHQVAKHHOZYLS-KRWDZBQOSA-N 0 0 428.514 2.695 50 0 IFAARN CCCCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)C1 ZINC000033263285 556901627 /nfs/dbraw/zinc/90/16/27/556901627.db2.gz INJVBYRIFGKJOY-HNNXBMFYSA-N 0 0 429.546 2.867 50 0 IFAARN Cc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)c1 ZINC000033262341 556902044 /nfs/dbraw/zinc/90/20/44/556902044.db2.gz ACXCOIXCYJHJIH-QGZVFWFLSA-N 0 0 428.514 2.695 50 0 IFAARN O=C(NCc1ccc(C(=O)c2ccco2)s1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000206680591 556912151 /nfs/dbraw/zinc/91/21/51/556912151.db2.gz HXKWVHFLEAJWFO-UHFFFAOYSA-N 0 0 437.477 2.954 50 0 IFAARN Cc1cccc2nc(CNCc3c(C(=O)N4C[C@@H](C)O[C@@H](C)C4)nc4sccn34)cn21 ZINC000019794984 556916042 /nfs/dbraw/zinc/91/60/42/556916042.db2.gz QQFURZHLIXYSGY-IYBDPMFKSA-N 0 0 438.557 2.891 50 0 IFAARN COCCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)CC1 ZINC000019798891 556916712 /nfs/dbraw/zinc/91/67/12/556916712.db2.gz BNXYLUBSADDROV-UHFFFAOYSA-N 0 0 438.557 2.672 50 0 IFAARN CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000019799580 556917283 /nfs/dbraw/zinc/91/72/83/556917283.db2.gz GGKCVKDJEFVDHJ-UHFFFAOYSA-N 0 0 429.468 2.880 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000019800359 556917435 /nfs/dbraw/zinc/91/74/35/556917435.db2.gz SHCHLGFMIBGHBJ-UHFFFAOYSA-N 0 0 443.569 2.946 50 0 IFAARN O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc(Br)cc1 ZINC000019816830 556919706 /nfs/dbraw/zinc/91/97/06/556919706.db2.gz OPSGJKAMHLCCGJ-NRFANRHFSA-N 0 0 445.313 2.546 50 0 IFAARN O=C(c1cccnc1)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)ccc21 ZINC000019819133 556922149 /nfs/dbraw/zinc/92/21/49/556922149.db2.gz HBLWVYDTJKINJZ-UHFFFAOYSA-N 0 0 448.504 2.970 50 0 IFAARN O=C(c1cccnc1)N1CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 ZINC000019819336 556922585 /nfs/dbraw/zinc/92/25/85/556922585.db2.gz WWRNGAATHINTBP-UHFFFAOYSA-N 0 0 437.477 2.857 50 0 IFAARN COCCN1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1 ZINC000019838391 556928710 /nfs/dbraw/zinc/92/87/10/556928710.db2.gz RKQBWVFHOUHTGX-UHFFFAOYSA-N 0 0 449.599 2.721 50 0 IFAARN COC(=O)C1=C(C(=O)OC)N2C(=O)c3ccccc3[C@H]1N2c1ccc(Br)cc1 ZINC000019872826 556935643 /nfs/dbraw/zinc/93/56/43/556935643.db2.gz BUQCIHVWPJCLKL-MRXNPFEDSA-N 0 0 443.253 2.981 50 0 IFAARN COc1ccc(CN2C(=O)C[C@H](N3CCN(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000019877450 556936069 /nfs/dbraw/zinc/93/60/69/556936069.db2.gz YHUKBPJXPONGJQ-IBGZPJMESA-N 0 0 436.537 2.755 50 0 IFAARN O=S(=O)(c1ccc2c(c1)CCO2)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019880321 556936911 /nfs/dbraw/zinc/93/69/11/556936911.db2.gz HPMDLPMGGFOYNJ-UHFFFAOYSA-N 0 0 427.448 2.936 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)c(OC)c1OC ZINC000019889346 556938461 /nfs/dbraw/zinc/93/84/61/556938461.db2.gz TVEJARYGTZRATA-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN CC(=O)CSc1nnc(-c2nnn(Cc3ccc(Cl)cc3)c2N)n1C[C@H]1CCCO1 ZINC000019897432 556940582 /nfs/dbraw/zinc/94/05/82/556940582.db2.gz LTFDVCTWYXQHIV-OAHLLOKOSA-N 0 0 447.952 2.681 50 0 IFAARN COc1ccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCOCC2)cc1 ZINC000019897851 556941003 /nfs/dbraw/zinc/94/10/03/556941003.db2.gz NVWDQRQDZRPILY-LJQANCHMSA-N 0 0 430.501 2.524 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1C ZINC000019899228 556941362 /nfs/dbraw/zinc/94/13/62/556941362.db2.gz RDDBFBQVXQXYJB-UHFFFAOYSA-N 0 0 447.543 2.861 50 0 IFAARN CC1CCN(S(=O)(=O)N2CCN(CC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000019909115 556942915 /nfs/dbraw/zinc/94/29/15/556942915.db2.gz ZUAKONPUZHXDFG-UHFFFAOYSA-N 0 0 449.404 2.526 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019920638 556943991 /nfs/dbraw/zinc/94/39/91/556943991.db2.gz NVYLJMJIVWXQST-QGZVFWFLSA-N 0 0 441.915 2.766 50 0 IFAARN O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)NCCCN1CCOCC1 ZINC000019938230 556952256 /nfs/dbraw/zinc/95/22/56/556952256.db2.gz SXUMOBNLHAUBPC-DEOSSOPVSA-N 0 0 432.524 2.552 50 0 IFAARN O=C1CCCN1c1ccc(S(=O)(=O)NCCc2csc(-c3ccccn3)n2)cc1 ZINC000019942413 556953639 /nfs/dbraw/zinc/95/36/39/556953639.db2.gz GPMUDOKEAICPNS-UHFFFAOYSA-N 0 0 428.539 2.853 50 0 IFAARN Cc1cc(OC[C@@H](O)Cn2c3ccccc3n(CCN3CCOCC3)c2=N)ccc1Cl ZINC000019943256 556953823 /nfs/dbraw/zinc/95/38/23/556953823.db2.gz FHEPDTBKOVBZSN-SFHVURJKSA-N 0 0 444.963 2.656 50 0 IFAARN COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000020029459 556968329 /nfs/dbraw/zinc/96/83/29/556968329.db2.gz TZZHJDOQGNSIJL-IBGZPJMESA-N 0 0 427.888 2.581 50 0 IFAARN COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(NC(C)=O)cc2)n2c3ccccc3nc21 ZINC000020103410 556980996 /nfs/dbraw/zinc/98/09/96/556980996.db2.gz UVYLTSPSFNNJJI-FQEVSTJZSA-N 0 0 435.484 2.948 50 0 IFAARN CSCC[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC(C)C ZINC000043732381 556981568 /nfs/dbraw/zinc/98/15/68/556981568.db2.gz XETHEVMKXOHDGK-FTRWYGJKSA-N 0 0 435.615 2.798 50 0 IFAARN O=C(c1ccc(C(F)(F)F)s1)N1C[C@@H]2C[C@H]1C[C@@H]2NS(=O)(=O)c1cccnc1 ZINC000097097553 556984617 /nfs/dbraw/zinc/98/46/17/556984617.db2.gz UMJOVVSPNGCXKN-GVXVVHGQSA-N 0 0 431.461 2.743 50 0 IFAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCCN([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097097491 556984663 /nfs/dbraw/zinc/98/46/63/556984663.db2.gz NSJKXUDWVHWGOD-GOSISDBHSA-N 0 0 425.451 2.744 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000097113297 556989771 /nfs/dbraw/zinc/98/97/71/556989771.db2.gz DPASMOBLHWCYJW-NRFANRHFSA-N 0 0 446.569 2.614 50 0 IFAARN CCCc1nnc(-c2cccnc2N2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)o1 ZINC000097151771 556993038 /nfs/dbraw/zinc/99/30/38/556993038.db2.gz DKVRJTAMCWLQFM-UHFFFAOYSA-N 0 0 443.529 2.604 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2nc(-c3cccc(OC)c3)n(-c3ccccc3)n2)CC1 ZINC000020167841 556994300 /nfs/dbraw/zinc/99/43/00/556994300.db2.gz RXNGEZRLZJHUTJ-UHFFFAOYSA-N 0 0 435.484 2.857 50 0 IFAARN COc1ccccc1CCC(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000023076352 556995566 /nfs/dbraw/zinc/99/55/66/556995566.db2.gz LEHRHMDJUKSKAG-QGZVFWFLSA-N 0 0 437.496 2.996 50 0 IFAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CCCC1 ZINC000011243576 556998477 /nfs/dbraw/zinc/99/84/77/556998477.db2.gz IAGIIZPOWRMOIK-CQSZACIVSA-N 0 0 442.965 2.731 50 0 IFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC000011244294 556998492 /nfs/dbraw/zinc/99/84/92/556998492.db2.gz KRBVJYFGIARLJR-UHFFFAOYSA-N 0 0 441.427 2.931 50 0 IFAARN Cc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc32)N2CCOCC2)cc1 ZINC000023106995 557001733 /nfs/dbraw/zinc/00/17/33/557001733.db2.gz ZKQJMALEYHWRLT-QHCPKHFHSA-N 0 0 432.524 2.980 50 0 IFAARN COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)N1CCOCC1 ZINC000023107706 557002453 /nfs/dbraw/zinc/00/24/53/557002453.db2.gz MAJBJOBDRPJDAF-QHCPKHFHSA-N 0 0 447.535 2.654 50 0 IFAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccn2)N1CCN1CCOCC1 ZINC000020308166 557006537 /nfs/dbraw/zinc/00/65/37/557006537.db2.gz RYSWXZGKGVCHIZ-IBGZPJMESA-N 0 0 425.872 2.719 50 0 IFAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(F)cc2)N(CCN2CCOCC2)C1=O ZINC000020308470 557006749 /nfs/dbraw/zinc/00/67/49/557006749.db2.gz UTTGJNPAUKBYJK-OAQYLSRUSA-N 0 0 438.455 2.818 50 0 IFAARN COc1cc2[nH]c3c(ncn(CC(=O)NCc4ccc(SC)cc4)c3=O)c2cc1OC ZINC000023126467 557007866 /nfs/dbraw/zinc/00/78/66/557007866.db2.gz UWULDNVQAAGMGG-UHFFFAOYSA-N 0 0 438.509 2.933 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1cccc(OC)c1 ZINC000020345183 557008754 /nfs/dbraw/zinc/00/87/54/557008754.db2.gz KCRRQMWVHUMBNI-UHFFFAOYSA-N 0 0 431.448 2.699 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2-c1cccc(OC)c1 ZINC000020345129 557008762 /nfs/dbraw/zinc/00/87/62/557008762.db2.gz UDDRXECUSKPPIQ-UHFFFAOYSA-N 0 0 449.438 2.838 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2-c1cccc(OC)c1 ZINC000020345203 557008773 /nfs/dbraw/zinc/00/87/73/557008773.db2.gz XRHTVKVNMJMCKT-UHFFFAOYSA-N 0 0 449.438 2.838 50 0 IFAARN CCn1c2ccc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)cc2[nH]c(=O)c1=O ZINC000011251407 557009488 /nfs/dbraw/zinc/00/94/88/557009488.db2.gz DGFSWQUOWRNMTQ-UHFFFAOYSA-N 0 0 435.402 2.719 50 0 IFAARN Cc1c(C)n2c(nc3c2c(=O)n(C/C=C\c2ccccc2)c(=O)n3C)n1C[C@H]1CCCO1 ZINC000098002452 557012333 /nfs/dbraw/zinc/01/23/33/557012333.db2.gz GRKXAVDYTGBOHA-KOTDBNOLSA-N 0 0 433.512 2.659 50 0 IFAARN CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000020386465 557012340 /nfs/dbraw/zinc/01/23/40/557012340.db2.gz DGAQVWONZNMJCP-UHFFFAOYSA-N 0 0 429.586 2.607 50 0 IFAARN COc1ccccc1-n1c(O)c2c(C(C)=O)nn(-c3ccc(Br)cc3)c2c1O ZINC000097020866 557015515 /nfs/dbraw/zinc/01/55/15/557015515.db2.gz SJBCFKTVGHHJJO-SJLPKXTDSA-N 0 0 442.269 2.781 50 0 IFAARN Cc1nn(CCC(=O)NC[C@@H](C)c2ccccc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000045998112 557015858 /nfs/dbraw/zinc/01/58/58/557015858.db2.gz JOVPOTQUNSVUGC-QGZVFWFLSA-N 0 0 432.590 2.985 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072004022 557018490 /nfs/dbraw/zinc/01/84/90/557018490.db2.gz FWWCHTFGZADARC-ZHGZNUGGSA-N 0 0 428.602 2.570 50 0 IFAARN CS(=O)(=O)c1ccc(Nc2nc(CC(=O)Nc3ccccc3C(N)=O)cs2)cc1 ZINC000023136701 557019173 /nfs/dbraw/zinc/01/91/73/557019173.db2.gz IALSGVBNOYTRPQ-UHFFFAOYSA-N 0 0 430.511 2.570 50 0 IFAARN COc1cccc(CNC(=O)CCn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c1 ZINC000046004463 557019331 /nfs/dbraw/zinc/01/93/31/557019331.db2.gz USZGFCDKVIHIMD-UHFFFAOYSA-N 0 0 448.589 2.636 50 0 IFAARN NC(=O)c1ccccc1NC(=O)Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1 ZINC000023138325 557021367 /nfs/dbraw/zinc/02/13/67/557021367.db2.gz YXQIKDSVROIJTE-UHFFFAOYSA-N 0 0 428.901 2.996 50 0 IFAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1c[nH]c2ccccc21 ZINC000010733678 557022091 /nfs/dbraw/zinc/02/20/91/557022091.db2.gz DIQKRDNRNPVEJR-OAHLLOKOSA-N 0 0 442.493 2.617 50 0 IFAARN CN1CCN(c2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)s2)CC1 ZINC000023139722 557022309 /nfs/dbraw/zinc/02/23/09/557022309.db2.gz LNBBYTBYVCLCLF-UHFFFAOYSA-N 0 0 433.481 2.919 50 0 IFAARN O=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)NCCc1ccc(F)cc1 ZINC000023142165 557024438 /nfs/dbraw/zinc/02/44/38/557024438.db2.gz XEGLNNAWDNCTCZ-UHFFFAOYSA-N 0 0 442.516 2.582 50 0 IFAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCc2ccc3c(c2)OCCO3)cc1 ZINC000010754653 557024483 /nfs/dbraw/zinc/02/44/83/557024483.db2.gz NTLHZIWAHDZMNB-UHFFFAOYSA-N 0 0 432.542 2.535 50 0 IFAARN O=C(c1ccco1)N1CCN(Cc2cc(=O)n3nc(-c4cccc(F)c4)sc3n2)CC1 ZINC000046031791 557024668 /nfs/dbraw/zinc/02/46/68/557024668.db2.gz NOODWWYTBHXTBP-UHFFFAOYSA-N 0 0 439.472 2.508 50 0 IFAARN CCOC(=O)c1csc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)n1 ZINC000010776988 557025565 /nfs/dbraw/zinc/02/55/65/557025565.db2.gz ZICZEWPTLOGPRO-LBPRGKRZSA-N 0 0 429.545 2.563 50 0 IFAARN CC(C)(C)c1csc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000023144981 557026401 /nfs/dbraw/zinc/02/64/01/557026401.db2.gz AAUKJLBAIMQPCV-UHFFFAOYSA-N 0 0 437.587 2.718 50 0 IFAARN COc1ccccc1-c1nnc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)o1 ZINC000010785189 557027137 /nfs/dbraw/zinc/02/71/37/557027137.db2.gz KRFRBDGWGVFDGG-AWEZNQCLSA-N 0 0 448.526 2.989 50 0 IFAARN O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3)CC1 ZINC000046053994 557027220 /nfs/dbraw/zinc/02/72/20/557027220.db2.gz UGUZEGQZGHISGD-UHFFFAOYSA-N 0 0 441.509 2.706 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C)c(C)c3)c(C)cc2NC1=O ZINC000046056174 557027323 /nfs/dbraw/zinc/02/73/23/557027323.db2.gz GHISGBSZLDRMGE-GOSISDBHSA-N 0 0 445.541 2.981 50 0 IFAARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000010795888 557027314 /nfs/dbraw/zinc/02/73/14/557027314.db2.gz IAGSUEVDBMCKRM-VQHVLOKHSA-N 0 0 431.441 2.925 50 0 IFAARN CCCn1c(SCC(=O)NCCCN2CCCC2=O)nc2sc3c(c2c1=O)CCC3 ZINC000032945164 557028302 /nfs/dbraw/zinc/02/83/02/557028302.db2.gz VTFSWGVVEHPLNK-UHFFFAOYSA-N 0 0 448.614 2.578 50 0 IFAARN COC(=O)C1CC[NH+]([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(OC)c(OC)c2)CC1 ZINC000023157097 557029884 /nfs/dbraw/zinc/02/98/84/557029884.db2.gz ZZBIIPBTRPYTET-QGZVFWFLSA-N 0 0 446.529 2.796 50 0 IFAARN Cc1cc(F)ccc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000010833427 557033271 /nfs/dbraw/zinc/03/32/71/557033271.db2.gz YOINEAFPIIVMKR-UHFFFAOYSA-N 0 0 431.533 2.568 50 0 IFAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000010839611 557033956 /nfs/dbraw/zinc/03/39/56/557033956.db2.gz UMJXUYMPACHZMF-UHFFFAOYSA-N 0 0 449.554 2.813 50 0 IFAARN CCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2ccc3c(c2)OCO3)c1=O ZINC000046079298 557034150 /nfs/dbraw/zinc/03/41/50/557034150.db2.gz MXGHLHLCFSZRAE-UHFFFAOYSA-N 0 0 434.452 2.935 50 0 IFAARN CCOc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)cc1 ZINC000046081248 557035708 /nfs/dbraw/zinc/03/57/08/557035708.db2.gz IMZJBMDJSJJGRF-UHFFFAOYSA-N 0 0 435.480 2.511 50 0 IFAARN O=C(Nc1cccc(F)c1)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O ZINC000017190858 557035996 /nfs/dbraw/zinc/03/59/96/557035996.db2.gz QBCSJAGQLQEMJD-UHFFFAOYSA-N 0 0 426.448 2.823 50 0 IFAARN O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000017190948 557036001 /nfs/dbraw/zinc/03/60/01/557036001.db2.gz GWEYDQHDEQBVBY-FQEVSTJZSA-N 0 0 430.526 2.918 50 0 IFAARN O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000017190952 557036025 /nfs/dbraw/zinc/03/60/25/557036025.db2.gz GWEYDQHDEQBVBY-HXUWFJFHSA-N 0 0 430.526 2.918 50 0 IFAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)NC[C@@H]3CCCO3)c3ccccc32)C[C@@H](C)O1 ZINC000017246618 557041761 /nfs/dbraw/zinc/04/17/61/557041761.db2.gz ABJGAKLODRWTJG-KURKYZTESA-N 0 0 445.585 2.664 50 0 IFAARN Cc1ccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)Cc2ccccc2Cl)cc1 ZINC000046140766 557042286 /nfs/dbraw/zinc/04/22/86/557042286.db2.gz WKSUFFOKACILFB-UHFFFAOYSA-N 0 0 435.977 2.526 50 0 IFAARN O=C(c1ccccc1Cl)N(CCS(=O)(=O)N1CCNCC1)C1CCCCCC1 ZINC000046140777 557042311 /nfs/dbraw/zinc/04/23/11/557042311.db2.gz DCRBELJBHGWYDO-UHFFFAOYSA-N 0 0 427.998 2.740 50 0 IFAARN CC(=O)Nc1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)c1C ZINC000046141571 557042356 /nfs/dbraw/zinc/04/23/56/557042356.db2.gz QBGVKXAFEAIDFI-UHFFFAOYSA-N 0 0 429.542 2.845 50 0 IFAARN O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)Nc1nnc(C(F)(F)F)s1 ZINC000017250571 557042426 /nfs/dbraw/zinc/04/24/26/557042426.db2.gz SPSUOSPYFWCHRF-UHFFFAOYSA-N 0 0 431.415 2.764 50 0 IFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C)c(NC(C)=O)c3)CC2)cc1 ZINC000046145316 557043246 /nfs/dbraw/zinc/04/32/46/557043246.db2.gz RQJMMKZVWXBZEZ-UHFFFAOYSA-N 0 0 445.541 2.545 50 0 IFAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc32)no1 ZINC000046145488 557043623 /nfs/dbraw/zinc/04/36/23/557043623.db2.gz QCBOYZYBANIGSO-UHFFFAOYSA-N 0 0 434.861 2.758 50 0 IFAARN CCCCS(=O)(=O)c1cc2c(cc1NC(=O)COc1ccc(C)cc1)n(C)c(=O)n2C ZINC000046146167 557044567 /nfs/dbraw/zinc/04/45/67/557044567.db2.gz GRWJZXRZOJADKK-UHFFFAOYSA-N 0 0 445.541 2.777 50 0 IFAARN CCCCS(=O)(=O)c1cc2c(cc1NC(=O)Cc1cccc(F)c1)n(C)c(=O)n2C ZINC000046146178 557044614 /nfs/dbraw/zinc/04/46/14/557044614.db2.gz UAFPGUYMJWPDGC-UHFFFAOYSA-N 0 0 433.505 2.771 50 0 IFAARN COc1cc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(C)CC2)cc(OC)c1OC ZINC000023181024 557044907 /nfs/dbraw/zinc/04/49/07/557044907.db2.gz ZCMQJXCCVGNOGG-YWZLYKJASA-N 0 0 433.574 2.881 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1ccc(-n2cccn2)c(F)c1 ZINC000048236646 557047197 /nfs/dbraw/zinc/04/71/97/557047197.db2.gz MNKFJNHDZOOFLW-UHFFFAOYSA-N 0 0 429.477 2.525 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1)c1ccccc1 ZINC000043751632 557047236 /nfs/dbraw/zinc/04/72/36/557047236.db2.gz DHAQSDRMYVTXOT-PKOBYXMFSA-N 0 0 449.532 2.909 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000048249140 557048310 /nfs/dbraw/zinc/04/83/10/557048310.db2.gz ZTJMUDXYRNBCGF-OXJNMPFZSA-N 0 0 449.598 2.933 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000048262714 557049939 /nfs/dbraw/zinc/04/99/39/557049939.db2.gz QDBMTCJGDUIWFK-IMSXRSKXSA-N 0 0 444.620 2.520 50 0 IFAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000048252377 557051839 /nfs/dbraw/zinc/05/18/39/557051839.db2.gz UIAZGSXSLDOWQO-GOSISDBHSA-N 0 0 447.557 2.516 50 0 IFAARN Cc1cccc(NC(=O)N(C)CCc2noc(C(=O)NCc3ccc4c(c3)OCO4)n2)c1 ZINC000033273441 557051821 /nfs/dbraw/zinc/05/18/21/557051821.db2.gz SWRNLWVBCKZACO-UHFFFAOYSA-N 0 0 437.456 2.743 50 0 IFAARN CCOCCCNC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000017306890 557052271 /nfs/dbraw/zinc/05/22/71/557052271.db2.gz RGFQFXAQHYRGBB-HNNXBMFYSA-N 0 0 446.529 2.516 50 0 IFAARN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000022938452 557053385 /nfs/dbraw/zinc/05/33/85/557053385.db2.gz NOEONUVOWQKGGF-UHFFFAOYSA-N 0 0 436.512 2.719 50 0 IFAARN O=C(NCCN1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(=O)NCc1ccccc1 ZINC000022942457 557053790 /nfs/dbraw/zinc/05/37/90/557053790.db2.gz UYAZGAQOKUOQGK-UHFFFAOYSA-N 0 0 449.382 2.544 50 0 IFAARN Cc1ccc2[nH]c(CCNC(=O)Cn3nc(C(=O)N4CCCC4)c4ccccc43)nc2c1 ZINC000033275237 557053922 /nfs/dbraw/zinc/05/39/22/557053922.db2.gz BWTIFRGKCVUVIP-UHFFFAOYSA-N 0 0 430.512 2.816 50 0 IFAARN Cc1nc(SCC(=O)N(CCC(N)=O)Cc2ccccc2)n(C[C@H]2CCCO2)c1C ZINC000022955084 557054340 /nfs/dbraw/zinc/05/43/40/557054340.db2.gz ZUMSCHPPWSLPJA-LJQANCHMSA-N 0 0 430.574 2.675 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3nn(-c4ccccc4F)c(C)cc3=O)CC2)cc1 ZINC000022987651 557056070 /nfs/dbraw/zinc/05/60/70/557056070.db2.gz PYGCTTWYNYQFTN-UHFFFAOYSA-N 0 0 436.487 2.647 50 0 IFAARN O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000048278497 557057169 /nfs/dbraw/zinc/05/71/69/557057169.db2.gz FBXCHCJUIWKNNF-FXAWDEMLSA-N 0 0 443.548 2.853 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC000048279235 557057428 /nfs/dbraw/zinc/05/74/28/557057428.db2.gz ATBRDBAVQYXILK-SFHVURJKSA-N 0 0 447.580 2.614 50 0 IFAARN CSc1nc(C)c(CCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c(C)n1 ZINC000023012672 557057477 /nfs/dbraw/zinc/05/74/77/557057477.db2.gz XIYVPAHQMBOPNS-UHFFFAOYSA-N 0 0 443.573 2.657 50 0 IFAARN O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)Nc1cccc(F)c1 ZINC000033277135 557058171 /nfs/dbraw/zinc/05/81/71/557058171.db2.gz VRPAJGURGRKELM-UHFFFAOYSA-N 0 0 429.521 2.842 50 0 IFAARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc2c3c(cccc31)CC2 ZINC000023041465 557059213 /nfs/dbraw/zinc/05/92/13/557059213.db2.gz GYQFEBAIQYHNMM-UHFFFAOYSA-N 0 0 436.533 2.889 50 0 IFAARN CCOC(=O)CN(CCOC)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000048299476 557061744 /nfs/dbraw/zinc/06/17/44/557061744.db2.gz DDMOUYUUNZORDF-FQEVSTJZSA-N 0 0 427.501 2.777 50 0 IFAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCC4)C3)c2)no1 ZINC000033279358 557062222 /nfs/dbraw/zinc/06/22/22/557062222.db2.gz PKONLXBSNYNBRT-ZDUSSCGKSA-N 0 0 438.575 2.820 50 0 IFAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(S(=O)(=O)N3CCCCCC3)c1)CS2 ZINC000023078636 557062453 /nfs/dbraw/zinc/06/24/53/557062453.db2.gz GLLRPKSCHOSPGI-FXAWDEMLSA-N 0 0 437.587 2.644 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1)n1cccn1 ZINC000048301313 557062589 /nfs/dbraw/zinc/06/25/89/557062589.db2.gz DYLDDMOORDLZDR-ROUUACIJSA-N 0 0 438.532 2.949 50 0 IFAARN COc1cc(C(=O)NCC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc(OC)c1OC ZINC000023100946 557063085 /nfs/dbraw/zinc/06/30/85/557063085.db2.gz AAUWWQSTKUZIRB-SFHVURJKSA-N 0 0 444.484 2.639 50 0 IFAARN O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccc(Cl)cc1)N1CCN(CCO)CC1 ZINC000023119702 557064848 /nfs/dbraw/zinc/06/48/48/557064848.db2.gz CLNSSYSGSRQJEL-GGAORHGYSA-N 0 0 427.932 2.716 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccc(CC)cc2)CC3)n1C ZINC000033287896 557065301 /nfs/dbraw/zinc/06/53/01/557065301.db2.gz ZGFWAXPCQCXOLW-UHFFFAOYSA-N 0 0 446.602 2.637 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1cc2c(n1)ncn(Cc1ccc(C)cc1)c2=O ZINC000033287852 557065306 /nfs/dbraw/zinc/06/53/06/557065306.db2.gz XNCNNPAWSYCYLW-UHFFFAOYSA-N 0 0 445.479 2.765 50 0 IFAARN Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)n1 ZINC000048324326 557065335 /nfs/dbraw/zinc/06/53/35/557065335.db2.gz LHHUMXBMFCJDQG-MRXNPFEDSA-N 0 0 433.516 2.815 50 0 IFAARN Cc1occc1C(=O)Nc1nc(CC(=O)NCCc2ccc3c(c2)OCCO3)cs1 ZINC000048325271 557066306 /nfs/dbraw/zinc/06/63/06/557066306.db2.gz PNLHOKCCQPUOSY-UHFFFAOYSA-N 0 0 427.482 2.969 50 0 IFAARN COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CCN(Cc1ccccn1)CC2 ZINC000023130159 557066663 /nfs/dbraw/zinc/06/66/63/557066663.db2.gz SIUMUAVVGIZCTC-QGZVFWFLSA-N 0 0 436.512 2.736 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)cc1 ZINC000033282718 557068049 /nfs/dbraw/zinc/06/80/49/557068049.db2.gz BMBZSKBWNFKLBR-UHFFFAOYSA-N 0 0 427.526 2.893 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C ZINC000023150105 557068875 /nfs/dbraw/zinc/06/88/75/557068875.db2.gz AXPZSKMATJPWCW-UHFFFAOYSA-N 0 0 444.553 2.587 50 0 IFAARN COc1cccc(CNC(=O)Cn2c(=O)nc3c4c5c(sc4ncn32)C[C@@H](C)CC5)c1 ZINC000033289448 557071003 /nfs/dbraw/zinc/07/10/03/557071003.db2.gz ZTPQYWPCECLDNJ-ZDUSSCGKSA-N 0 0 437.525 2.556 50 0 IFAARN COc1cccc(CNC(=O)Cn2c(=O)nc3c4c5c(sc4ncn32)C[C@H](C)CC5)c1 ZINC000033289446 557071035 /nfs/dbraw/zinc/07/10/35/557071035.db2.gz ZTPQYWPCECLDNJ-CYBMUJFWSA-N 0 0 437.525 2.556 50 0 IFAARN O=C(Nc1cccnc1N1CCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000048343470 557071236 /nfs/dbraw/zinc/07/12/36/557071236.db2.gz LUMPGRQZXDQMMH-UHFFFAOYSA-N 0 0 428.558 2.862 50 0 IFAARN Cn1c(=O)c2cc(C(=O)N(CCc3ccccc3)Cc3cccs3)cnc2n(C)c1=O ZINC000023184877 557071682 /nfs/dbraw/zinc/07/16/82/557071682.db2.gz CCJCIMVCKZSUTJ-UHFFFAOYSA-N 0 0 434.521 2.579 50 0 IFAARN CC(C)CN(C(=O)CSc1nc2cc(Cl)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000048353908 557072380 /nfs/dbraw/zinc/07/23/80/557072380.db2.gz ZYMOFJFSUFNQGV-CQSZACIVSA-N 0 0 429.995 2.991 50 0 IFAARN Cc1oc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1S(=O)(=O)N1CCCC1 ZINC000048356000 557072991 /nfs/dbraw/zinc/07/29/91/557072991.db2.gz CDXCGBNDSAFHIJ-UHFFFAOYSA-N 0 0 432.542 2.851 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(F)F)s3)cc2)C[C@H](C)O1 ZINC000048361814 557073192 /nfs/dbraw/zinc/07/31/92/557073192.db2.gz PXOIKHNYSZSKKA-UWVGGRQHSA-N 0 0 432.474 2.526 50 0 IFAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 ZINC000048985103 557081949 /nfs/dbraw/zinc/08/19/49/557081949.db2.gz JOXJVEJFEHVXQR-UHFFFAOYSA-N 0 0 426.908 2.822 50 0 IFAARN CSc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000010895170 557082053 /nfs/dbraw/zinc/08/20/53/557082053.db2.gz KLBMQHIPEKUFLH-KRWDZBQOSA-N 0 0 434.539 2.972 50 0 IFAARN Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000049004937 557083950 /nfs/dbraw/zinc/08/39/50/557083950.db2.gz JIWHFNWIIFVJRZ-UHFFFAOYSA-N 0 0 443.554 2.518 50 0 IFAARN Cc1nonc1N1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)CC1 ZINC000023338374 557085051 /nfs/dbraw/zinc/08/50/51/557085051.db2.gz WLGUSEKSYPQQBB-UHFFFAOYSA-N 0 0 443.577 2.816 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)cc1 ZINC000049006637 557085387 /nfs/dbraw/zinc/08/53/87/557085387.db2.gz NJWBGLFSTXFRFJ-UHFFFAOYSA-N 0 0 442.435 2.860 50 0 IFAARN COc1cccc(Oc2nccn3c(=O)n(CC(=O)Nc4cc(F)ccc4F)nc23)c1 ZINC000049008424 557086269 /nfs/dbraw/zinc/08/62/69/557086269.db2.gz WYLVZPBOBRUYLL-UHFFFAOYSA-N 0 0 427.367 2.609 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)cc1 ZINC000049008683 557086483 /nfs/dbraw/zinc/08/64/83/557086483.db2.gz MYGIGXVFSPOWTE-UHFFFAOYSA-N 0 0 433.468 2.625 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)c1 ZINC000049009375 557087086 /nfs/dbraw/zinc/08/70/86/557087086.db2.gz IHUVTPSFADVRNX-UHFFFAOYSA-N 0 0 439.859 2.867 50 0 IFAARN O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000023367016 557088356 /nfs/dbraw/zinc/08/83/56/557088356.db2.gz IBIQKFRBLUUYCY-OAQYLSRUSA-N 0 0 445.579 2.758 50 0 IFAARN Cc1ccnc(Nc2nc(CC(=O)NCCn3nc(-c4ccco4)ccc3=O)cs2)c1 ZINC000049029648 557088945 /nfs/dbraw/zinc/08/89/45/557088945.db2.gz WRPGEMXBHGQIEP-UHFFFAOYSA-N 0 0 436.497 2.766 50 0 IFAARN Cc1ccc2c(=O)c(C(=O)N3CCCCC3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2n1 ZINC000049002198 557089901 /nfs/dbraw/zinc/08/99/01/557089901.db2.gz AFCMYSUNCOQVPT-UHFFFAOYSA-N 0 0 448.479 2.698 50 0 IFAARN Cn1c2ccccc2n(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1=O ZINC000011327828 557091016 /nfs/dbraw/zinc/09/10/16/557091016.db2.gz NBHZBDMQGUSSHV-UHFFFAOYSA-N 0 0 442.541 2.543 50 0 IFAARN COc1ccc([C@H]2CCCN2CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)c(OC)c1 ZINC000010907708 557091020 /nfs/dbraw/zinc/09/10/20/557091020.db2.gz MVUVACZHHSWNTF-MRXNPFEDSA-N 0 0 426.473 2.926 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000023442852 557092436 /nfs/dbraw/zinc/09/24/36/557092436.db2.gz AXRHFBCDMOBAMC-UHFFFAOYSA-N 0 0 433.549 2.861 50 0 IFAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(I)ccc2O)CC1 ZINC000023457967 557092853 /nfs/dbraw/zinc/09/28/53/557092853.db2.gz ARGZBEVQUNZXFJ-UHFFFAOYSA-N 0 0 432.258 2.690 50 0 IFAARN CN(C)C(=O)[C@@H](OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccccc1 ZINC000017480963 557094518 /nfs/dbraw/zinc/09/45/18/557094518.db2.gz LPLYAUKVAFJPRA-HNNXBMFYSA-N 0 0 431.297 2.627 50 0 IFAARN CCN(CCCNC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O)c1cccc(C)c1 ZINC000004763806 557095262 /nfs/dbraw/zinc/09/52/62/557095262.db2.gz YRJGFYZASQASLQ-UHFFFAOYSA-N 0 0 428.558 2.873 50 0 IFAARN COc1ccccc1C(=O)NCCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023508161 557095316 /nfs/dbraw/zinc/09/53/16/557095316.db2.gz PBHMUFQRDDIESA-UHFFFAOYSA-N 0 0 436.434 2.578 50 0 IFAARN COc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000049406259 557095601 /nfs/dbraw/zinc/09/56/01/557095601.db2.gz SAZIRPWHTXBEAT-UHFFFAOYSA-N 0 0 439.903 2.964 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c(N4C[C@H](C)C[C@@H](C)C4)nccn3c2=O)cc1Cl ZINC000049400293 557095848 /nfs/dbraw/zinc/09/58/48/557095848.db2.gz REMUSAKFEGKXSI-ZIAGYGMSSA-N 0 0 428.924 2.974 50 0 IFAARN CNC(=O)c1nn(CN(C)Cc2cc(Br)ccc2OC)c(=O)c2ccccc21 ZINC000010913258 557098055 /nfs/dbraw/zinc/09/80/55/557098055.db2.gz SGWWGCVMPLHMPG-UHFFFAOYSA-N 0 0 445.317 2.617 50 0 IFAARN COc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccc(C)cc3)NC2=O)c(OC)c1 ZINC000049402890 557098241 /nfs/dbraw/zinc/09/82/41/557098241.db2.gz CXDZQUVXTDGTKQ-OAQYLSRUSA-N 0 0 437.452 2.528 50 0 IFAARN Cc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1S(=O)(=O)N(C)C ZINC000017577772 557098450 /nfs/dbraw/zinc/09/84/50/557098450.db2.gz KLBDIDSJZWPFFI-HXUWFJFHSA-N 0 0 431.539 2.813 50 0 IFAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)nn2)cc1F ZINC000049406286 557099857 /nfs/dbraw/zinc/09/98/57/557099857.db2.gz PAAGRDNICUQBAF-UHFFFAOYSA-N 0 0 425.439 2.889 50 0 IFAARN CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl ZINC000017532218 557100207 /nfs/dbraw/zinc/10/02/07/557100207.db2.gz VSWLXCJCOSQEAA-CQSZACIVSA-N 0 0 438.933 2.842 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3cccnc3)n2C)cc1 ZINC000072191632 557100741 /nfs/dbraw/zinc/10/07/41/557100741.db2.gz QWELFYLHYFFNGH-ZDUSSCGKSA-N 0 0 426.502 2.519 50 0 IFAARN COc1cccc(CC(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)c1 ZINC000049405877 557100917 /nfs/dbraw/zinc/10/09/17/557100917.db2.gz QUWRVGQIISPPBI-UHFFFAOYSA-N 0 0 433.512 2.548 50 0 IFAARN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000023606920 557101141 /nfs/dbraw/zinc/10/11/41/557101141.db2.gz GKVKBGADBRCYKO-OAHLLOKOSA-N 0 0 434.587 2.630 50 0 IFAARN O=C(Cc1cccs1)NC1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 ZINC000049406171 557101234 /nfs/dbraw/zinc/10/12/34/557101234.db2.gz LWZBVWFQCCVBLX-UHFFFAOYSA-N 0 0 429.933 2.946 50 0 IFAARN O=C(NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1)c1cc2ccccc2[nH]1 ZINC000049406079 557101285 /nfs/dbraw/zinc/10/12/85/557101285.db2.gz OEXYMNUUHMKRNQ-UHFFFAOYSA-N 0 0 432.459 2.922 50 0 IFAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(N(C)C)cc4)CC3)nn2)cc1 ZINC000049405974 557101290 /nfs/dbraw/zinc/10/12/90/557101290.db2.gz GUHNEMFRCZQFHP-UHFFFAOYSA-N 0 0 432.528 2.676 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3cccc(OC)c3)C2)c1C ZINC000085621165 557102631 /nfs/dbraw/zinc/10/26/31/557102631.db2.gz ZWMPBMCYCMRURD-QGZVFWFLSA-N 0 0 427.501 2.595 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(C(=O)C[C@@H](C)NC(=O)c3ccccc3)CC2)c1C ZINC000017603095 557102746 /nfs/dbraw/zinc/10/27/46/557102746.db2.gz HPKBFUFJFQANII-LJQANCHMSA-N 0 0 436.556 2.595 50 0 IFAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3ccccn3)C2)c(C)c1C(=O)OC(C)C ZINC000085621353 557102800 /nfs/dbraw/zinc/10/28/00/557102800.db2.gz KYXPSKOHMJICNZ-QGZVFWFLSA-N 0 0 426.517 2.760 50 0 IFAARN O=c1n2cc(S(=O)(=O)N3CCCCC3)ccc2nn1Cc1cccc(C(F)(F)F)c1 ZINC000049407920 557102877 /nfs/dbraw/zinc/10/28/77/557102877.db2.gz ICWPLMWBJOHELB-UHFFFAOYSA-N 0 0 440.447 2.738 50 0 IFAARN C[C@@H](NC(=O)COC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(Cl)cc1 ZINC000023653767 557103069 /nfs/dbraw/zinc/10/30/69/557103069.db2.gz HDPZUJWZXDGGJP-YZGUTLMUSA-N 0 0 435.908 2.561 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)c1ccc(Br)cc1)C2=O ZINC000023654083 557103452 /nfs/dbraw/zinc/10/34/52/557103452.db2.gz FCKLNLFKLKPTLU-UHFFFAOYSA-N 0 0 437.290 2.676 50 0 IFAARN O=C(Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000049408930 557103721 /nfs/dbraw/zinc/10/37/21/557103721.db2.gz XQNGJEVSZGNYCW-UHFFFAOYSA-N 0 0 430.313 2.578 50 0 IFAARN O=C(Cn1nnc2ccccc21)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000585147564 557105171 /nfs/dbraw/zinc/10/51/71/557105171.db2.gz WCZNOFYYPULSJR-UHFFFAOYSA-N 0 0 428.496 2.594 50 0 IFAARN COc1cccc([C@@]2(C)NC(=O)N(CN3CCC(C(=O)N4CCCCCC4)CC3)C2=O)c1 ZINC000023674939 557105623 /nfs/dbraw/zinc/10/56/23/557105623.db2.gz WJYWGVCFODVQCM-XMMPIXPASA-N 0 0 442.560 2.534 50 0 IFAARN O=C(c1sccc1-n1cccc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000023688298 557107070 /nfs/dbraw/zinc/10/70/70/557107070.db2.gz SNJNDCQFMIWDLB-UHFFFAOYSA-N 0 0 437.493 2.964 50 0 IFAARN COc1ccc(OC)c(C(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 ZINC000023701315 557107722 /nfs/dbraw/zinc/10/77/22/557107722.db2.gz UDMICNYHFWZHQZ-FATZIPQQSA-N 0 0 446.500 2.567 50 0 IFAARN O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)Nc1ccc(F)c(Cl)c1 ZINC000049421714 557108678 /nfs/dbraw/zinc/10/86/78/557108678.db2.gz NQCKTIAGGBGWEH-UHFFFAOYSA-N 0 0 439.827 2.646 50 0 IFAARN COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NCc3ccc4c(c3)OCO4)n2)c1 ZINC000049544390 557110883 /nfs/dbraw/zinc/11/08/83/557110883.db2.gz FSNJPIMWKMXZQT-UHFFFAOYSA-N 0 0 429.816 2.759 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)[C@H]2CC=CCC2)c1 ZINC000023730947 557111658 /nfs/dbraw/zinc/11/16/58/557111658.db2.gz OLHIAJKVYDMAAS-SFHVURJKSA-N 0 0 434.606 2.764 50 0 IFAARN COc1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)Nc3c2c(=O)[nH]c(=O)n3CCC(C)C)c1 ZINC000049551752 557113574 /nfs/dbraw/zinc/11/35/74/557113574.db2.gz GTGTWCVOPBDLPY-GFCCVEGCSA-N 0 0 434.880 2.959 50 0 IFAARN O=C(CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)c1c[nH]c2ccccc21 ZINC000011364059 557114024 /nfs/dbraw/zinc/11/40/24/557114024.db2.gz DYCHZZBEXNXSJK-OAHLLOKOSA-N 0 0 427.530 2.750 50 0 IFAARN Cc1cc2nc(C)c(CCC(=O)NC[C@H](c3cccs3)N3CCOCC3)c(C)n2n1 ZINC000023745229 557113978 /nfs/dbraw/zinc/11/39/78/557113978.db2.gz RFRYSMDAAKRPKE-LJQANCHMSA-N 0 0 427.574 2.838 50 0 IFAARN O=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000049520953 557114178 /nfs/dbraw/zinc/11/41/78/557114178.db2.gz DVVLANPAUDETLR-UHFFFAOYSA-N 0 0 439.487 2.756 50 0 IFAARN O=C(Cc1ccccc1)NCC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000023761000 557114551 /nfs/dbraw/zinc/11/45/51/557114551.db2.gz BWWKMXQPBGOGLZ-UHFFFAOYSA-N 0 0 436.375 2.514 50 0 IFAARN O=C(CN(Cc1ccc(F)cc1)C1CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023762404 557114858 /nfs/dbraw/zinc/11/48/58/557114858.db2.gz PHSFHOUBZGUMHN-UHFFFAOYSA-N 0 0 425.504 2.863 50 0 IFAARN CCCCN1C(=O)C[C@@H](C(=O)N2CCN(C(=O)C(C)C)CC2)[C@H]1c1ccc(OC)cc1 ZINC000049605841 557115147 /nfs/dbraw/zinc/11/51/47/557115147.db2.gz ADFFSZVJACTIJC-IFMALSPDSA-N 0 0 429.561 2.712 50 0 IFAARN CCCCN1C(=O)C[C@H](C(=O)N2CCN(C(=O)C(C)C)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000049605844 557115171 /nfs/dbraw/zinc/11/51/71/557115171.db2.gz ADFFSZVJACTIJC-UNMCSNQZSA-N 0 0 429.561 2.712 50 0 IFAARN C[C@H](OC(=O)CCNC(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000049611711 557115533 /nfs/dbraw/zinc/11/55/33/557115533.db2.gz JRXFJNAEAZEJBZ-KRWDZBQOSA-N 0 0 439.512 2.792 50 0 IFAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1CCCN1CCOCC1 ZINC000033331706 557115557 /nfs/dbraw/zinc/11/55/57/557115557.db2.gz WCSITVBYYWOENE-QHCPKHFHSA-N 0 0 444.601 2.698 50 0 IFAARN CCOC(=O)c1c(C)oc2nc(CSc3nc4ccccc4c(=O)n3C)nc(N)c21 ZINC000023222816 557116054 /nfs/dbraw/zinc/11/60/54/557116054.db2.gz IBDFGFZGIWGVJG-UHFFFAOYSA-N 0 0 425.470 2.829 50 0 IFAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000049581392 557116239 /nfs/dbraw/zinc/11/62/39/557116239.db2.gz AFJKQBSTILPNIU-QGZVFWFLSA-N 0 0 441.915 2.686 50 0 IFAARN O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CCN(Cc2ccncc2)CC1 ZINC000023800883 557116331 /nfs/dbraw/zinc/11/63/31/557116331.db2.gz YCIJMGALEVKUOL-UHFFFAOYSA-N 0 0 439.519 2.798 50 0 IFAARN COC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2)cc(C(=O)OC)c1 ZINC000000834049 557116401 /nfs/dbraw/zinc/11/64/01/557116401.db2.gz JHGWAPONRAIFDC-UHFFFAOYSA-N 0 0 428.260 2.823 50 0 IFAARN O=C(NN1C(=O)NC2(CCCCC2)C1=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000049590137 557116909 /nfs/dbraw/zinc/11/69/09/557116909.db2.gz DHRJYIWVUMSWDT-UHFFFAOYSA-N 0 0 448.523 2.978 50 0 IFAARN CSCC[C@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1nc2ccccc2[nH]1 ZINC000023805374 557117078 /nfs/dbraw/zinc/11/70/78/557117078.db2.gz YWDVLNFYMKFYLZ-QQHGCPPCSA-N 0 0 443.573 2.974 50 0 IFAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)Nc3cc(OC)cc(OC)c3)C2=O)cc1 ZINC000023806073 557117662 /nfs/dbraw/zinc/11/76/62/557117662.db2.gz DTDBGYQUSAITSW-QHCPKHFHSA-N 0 0 441.484 2.594 50 0 IFAARN O=C(CSc1nccn1-c1ccc(Cl)cc1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000023817452 557118124 /nfs/dbraw/zinc/11/81/24/557118124.db2.gz KVRLROAIJHJOFO-UHFFFAOYSA-N 0 0 433.921 2.904 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2ccsc2)CC1 ZINC000023819039 557118750 /nfs/dbraw/zinc/11/87/50/557118750.db2.gz DAJLEAQJTZPLDK-UHFFFAOYSA-N 0 0 447.626 2.810 50 0 IFAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)c1ccc(CC)cc1 ZINC000023230865 557119349 /nfs/dbraw/zinc/11/93/49/557119349.db2.gz NACYLTAQNZVQJY-UHFFFAOYSA-N 0 0 443.496 2.869 50 0 IFAARN O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000023844446 557119689 /nfs/dbraw/zinc/11/96/89/557119689.db2.gz WUTYTLPTFSDVQF-FQEVSTJZSA-N 0 0 433.599 2.636 50 0 IFAARN Cc1ccccc1N(CC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)S(C)(=O)=O ZINC000023844631 557119854 /nfs/dbraw/zinc/11/98/54/557119854.db2.gz RMGJXESYTJXFHV-UHFFFAOYSA-N 0 0 442.006 2.820 50 0 IFAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023845195 557119916 /nfs/dbraw/zinc/11/99/16/557119916.db2.gz LQMIWFZQHDDDIP-UHFFFAOYSA-N 0 0 437.949 2.814 50 0 IFAARN COc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)cc1Br ZINC000023863749 557120962 /nfs/dbraw/zinc/12/09/62/557120962.db2.gz LNSDMZJNSLAILV-UHFFFAOYSA-N 0 0 447.395 2.771 50 0 IFAARN O=C([C@@H]1CCCO1)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 ZINC000023865885 557121261 /nfs/dbraw/zinc/12/12/61/557121261.db2.gz LYBHSLCSMQVMFQ-AWEZNQCLSA-N 0 0 430.555 2.536 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000023873276 557121888 /nfs/dbraw/zinc/12/18/88/557121888.db2.gz DIDXTFXHVUMQKN-DEOSSOPVSA-N 0 0 428.536 2.767 50 0 IFAARN O=S(=O)(c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc1)N1CCOCC1 ZINC000023873176 557121980 /nfs/dbraw/zinc/12/19/80/557121980.db2.gz SCLIXAOLOYIWQA-IBGZPJMESA-N 0 0 445.541 2.605 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1cccs1 ZINC000000627442 557122325 /nfs/dbraw/zinc/12/23/25/557122325.db2.gz NDOYKVUMWCNHDG-LYPXWFNGSA-N 0 0 440.546 2.868 50 0 IFAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3cnn(-c4ccccc4)c3)C2=O)cc1 ZINC000023882096 557123154 /nfs/dbraw/zinc/12/31/54/557123154.db2.gz ZVFDBSVMMHCGAE-XMMPIXPASA-N 0 0 431.496 2.606 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000017824060 557124904 /nfs/dbraw/zinc/12/49/04/557124904.db2.gz WMXGZNIHWACJJB-CYBMUJFWSA-N 0 0 434.290 2.649 50 0 IFAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000017846513 557126003 /nfs/dbraw/zinc/12/60/03/557126003.db2.gz CZRQWGFTQDCCPK-UHFFFAOYSA-N 0 0 426.460 2.922 50 0 IFAARN CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccccc2)NC(=O)N[C@H]1CC ZINC000023935391 557126267 /nfs/dbraw/zinc/12/62/67/557126267.db2.gz XONWMZZQKZKPEA-HNNXBMFYSA-N 0 0 438.513 2.816 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000000670441 557132873 /nfs/dbraw/zinc/13/28/73/557132873.db2.gz LSQBWNAZHMKJMI-DPWKNNTCSA-N 0 0 426.469 2.839 50 0 IFAARN C[C@@H](OC(=O)c1sccc1S(N)(=O)=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000010937339 557134172 /nfs/dbraw/zinc/13/41/72/557134172.db2.gz XZZFFSFUZBRZJK-MRVPVSSYSA-N 0 0 436.483 2.894 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000024091751 557136451 /nfs/dbraw/zinc/13/64/51/557136451.db2.gz HQQQCCSCUPWLDU-LJQANCHMSA-N 0 0 434.452 2.761 50 0 IFAARN CC(C)c1nnc(SCCN2C(=O)c3ccccc3S2(=O)=O)n1Cc1ccco1 ZINC000010933573 557136996 /nfs/dbraw/zinc/13/69/96/557136996.db2.gz BHQFKQNZUIUDAO-UHFFFAOYSA-N 0 0 432.527 2.980 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(=NNS(=O)(=O)c2ccc(C)cc2)[nH]c1 ZINC000024101852 557137490 /nfs/dbraw/zinc/13/74/90/557137490.db2.gz DRJLMNDTDDWFCU-UHFFFAOYSA-N 0 0 446.554 2.911 50 0 IFAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024781841 557138903 /nfs/dbraw/zinc/13/89/03/557138903.db2.gz ZTHXEQHOFZJCBO-UHFFFAOYSA-N 0 0 433.299 2.697 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000024257724 557142031 /nfs/dbraw/zinc/14/20/31/557142031.db2.gz ZMTRMDLQRJOONX-UHFFFAOYSA-N 0 0 439.537 2.918 50 0 IFAARN Cc1cc(C)nc(SCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 ZINC000024286317 557143296 /nfs/dbraw/zinc/14/32/96/557143296.db2.gz LMUCKQLQCVTUTM-UHFFFAOYSA-N 0 0 428.514 2.792 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000024457848 557147487 /nfs/dbraw/zinc/14/74/87/557147487.db2.gz VYXYHLMHJWBYKI-VQTJNVASSA-N 0 0 429.524 2.977 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000024477625 557148027 /nfs/dbraw/zinc/14/80/27/557148027.db2.gz RLHFLWJXBWIYBR-UHFFFAOYSA-N 0 0 432.521 2.701 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)c1 ZINC000011456127 557150906 /nfs/dbraw/zinc/15/09/06/557150906.db2.gz YDYRDLQTWOLTKS-UHFFFAOYSA-N 0 0 426.450 2.922 50 0 IFAARN O=C(COC(=O)c1ccc(F)cc1Cl)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000011455773 557150949 /nfs/dbraw/zinc/15/09/49/557150949.db2.gz HRKUJBDXMHKQNI-HNNXBMFYSA-N 0 0 431.913 2.984 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000024610153 557154594 /nfs/dbraw/zinc/15/45/94/557154594.db2.gz RJPWFMWPEDFYSP-UHFFFAOYSA-N 0 0 433.505 2.965 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 ZINC000024611090 557154902 /nfs/dbraw/zinc/15/49/02/557154902.db2.gz YAJAPNGKNBIDCA-UHFFFAOYSA-N 0 0 430.570 2.904 50 0 IFAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000024611166 557155186 /nfs/dbraw/zinc/15/51/86/557155186.db2.gz AEPLJZQEGYARTI-UHFFFAOYSA-N 0 0 441.597 2.886 50 0 IFAARN COc1cccc(-c2nnc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n2C)c1 ZINC000024638523 557157018 /nfs/dbraw/zinc/15/70/18/557157018.db2.gz IDUUHZRRWZIXNW-UHFFFAOYSA-N 0 0 437.569 2.927 50 0 IFAARN COC(=O)c1csc(N2N=C3c4ccc(OC)cc4CC[C@@H]3[C@@]2(O)C(F)(F)F)n1 ZINC000016957620 557159106 /nfs/dbraw/zinc/15/91/06/557159106.db2.gz GUGKDIFGPJWWEK-YVEFUNNKSA-N 0 0 427.404 2.976 50 0 IFAARN CCOc1ccc(CCNC(=O)COC(=O)Cc2ccc(OC)c(OC)c2)cc1OCC ZINC000011527521 557159567 /nfs/dbraw/zinc/15/95/67/557159567.db2.gz XOFXOMOFSCIPHC-UHFFFAOYSA-N 0 0 445.512 2.946 50 0 IFAARN CCOC(=O)c1sc(NC(=O)N2CCN(c3cnccn3)CC2)c(C(=O)OCC)c1C ZINC000024742674 557161044 /nfs/dbraw/zinc/16/10/44/557161044.db2.gz ZXAPDGXERUVYHQ-UHFFFAOYSA-N 0 0 447.517 2.554 50 0 IFAARN Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095938932 557162438 /nfs/dbraw/zinc/16/24/38/557162438.db2.gz FLJARLFRPUHVQQ-HZPDHXFCSA-N 0 0 439.578 2.716 50 0 IFAARN COc1cc(-c2cc(C(=O)NC[C@H]3CCCN3c3nccs3)[nH]n2)cc(OC)c1OC ZINC000206781572 557162481 /nfs/dbraw/zinc/16/24/81/557162481.db2.gz YWSZOYBWMFKMFZ-CQSZACIVSA-N 0 0 443.529 2.958 50 0 IFAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000024752363 557162669 /nfs/dbraw/zinc/16/26/69/557162669.db2.gz UEPIIDOWDQCVLS-UHFFFAOYSA-N 0 0 445.566 2.675 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NCCCc3cnc4cc(C)nn4c3)n(C)n2)c1 ZINC000206820912 557162799 /nfs/dbraw/zinc/16/27/99/557162799.db2.gz OMFBFFBDPSBWEN-UHFFFAOYSA-N 0 0 434.500 2.818 50 0 IFAARN O=C(NCCc1nnc2ccccn21)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000011546497 557163009 /nfs/dbraw/zinc/16/30/09/557163009.db2.gz BFQPHYLPTVRCBK-UHFFFAOYSA-N 0 0 439.475 2.541 50 0 IFAARN CN(C(=O)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000096034788 557163371 /nfs/dbraw/zinc/16/33/71/557163371.db2.gz ZSIINNHDQJEXRJ-MOPGFXCFSA-N 0 0 430.549 2.894 50 0 IFAARN COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc2c(c1)nn(C)c2OC ZINC000206799180 557164089 /nfs/dbraw/zinc/16/40/89/557164089.db2.gz UWIJVAFDRWHBEB-RDTXWAMCSA-N 0 0 427.432 2.556 50 0 IFAARN O=C(c1ccccc1Nc1ccccc1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000206871729 557165387 /nfs/dbraw/zinc/16/53/87/557165387.db2.gz QTRDEZXMGREIDX-UHFFFAOYSA-N 0 0 426.484 2.763 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000206841818 557166309 /nfs/dbraw/zinc/16/63/09/557166309.db2.gz AFQMVDVSAANYIG-QGZVFWFLSA-N 0 0 427.482 2.526 50 0 IFAARN O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000024809638 557168413 /nfs/dbraw/zinc/16/84/13/557168413.db2.gz POTLZLRRNLMAPL-UHFFFAOYSA-N 0 0 434.340 2.630 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000024830935 557170317 /nfs/dbraw/zinc/17/03/17/557170317.db2.gz GRPCLHDWTWBLLU-UHFFFAOYSA-N 0 0 440.525 2.622 50 0 IFAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000024831971 557170933 /nfs/dbraw/zinc/17/09/33/557170933.db2.gz FQJLUGYRHZYLEL-UHFFFAOYSA-N 0 0 431.533 2.674 50 0 IFAARN CCCCN(C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000024840173 557173289 /nfs/dbraw/zinc/17/32/89/557173289.db2.gz SBWWVZVMXJRUKB-GOSISDBHSA-N 0 0 439.537 2.815 50 0 IFAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000024863974 557174969 /nfs/dbraw/zinc/17/49/69/557174969.db2.gz XQDRLLUQANHZNE-UHFFFAOYSA-N 0 0 436.505 2.518 50 0 IFAARN O=C(NCc1nnc2n1CCCCC2)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000010961905 557177696 /nfs/dbraw/zinc/17/76/96/557177696.db2.gz PLCXYUDIGYBGRH-UHFFFAOYSA-N 0 0 428.496 2.693 50 0 IFAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1nc(N)nc(N(C)C)n1 ZINC000024903965 557178105 /nfs/dbraw/zinc/17/81/05/557178105.db2.gz NJXBUJJYZCPRDL-DOMZBBRYSA-N 0 0 444.540 2.950 50 0 IFAARN COc1ccc(-c2noc(CCCC(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)n2)cc1 ZINC000024925128 557179816 /nfs/dbraw/zinc/17/98/16/557179816.db2.gz KAUUMXDJZOZCMZ-UHFFFAOYSA-N 0 0 449.467 2.758 50 0 IFAARN CCOc1ccc(-c2nnc3n(Cc4cccc(C)c4)c4c(n23)n(C)c(=O)n(C)c4=O)cc1 ZINC000010970074 557181764 /nfs/dbraw/zinc/18/17/64/557181764.db2.gz PPXPONIDZMRBSZ-UHFFFAOYSA-N 0 0 444.495 2.504 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000024972090 557184088 /nfs/dbraw/zinc/18/40/88/557184088.db2.gz YFSVQSFYWGPZBC-UHFFFAOYSA-N 0 0 441.576 2.998 50 0 IFAARN C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000009263259 557184614 /nfs/dbraw/zinc/18/46/14/557184614.db2.gz XYYQAFOEZWSDSY-CYBMUJFWSA-N 0 0 439.497 2.766 50 0 IFAARN COc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccc(-n4cnnn4)cc3)cc2)cc1 ZINC000024978779 557185253 /nfs/dbraw/zinc/18/52/53/557185253.db2.gz DHCWZJMDZCJQJU-UHFFFAOYSA-N 0 0 443.467 2.974 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2C)cc1 ZINC000009302432 557185473 /nfs/dbraw/zinc/18/54/73/557185473.db2.gz DOKZNUMYWHNOHH-UHFFFAOYSA-N 0 0 446.558 2.809 50 0 IFAARN COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1c(Cl)cccc1Cl ZINC000024985639 557186452 /nfs/dbraw/zinc/18/64/52/557186452.db2.gz DMDPKWGVWFHMSZ-MEBBXXQBSA-N 0 0 433.313 2.694 50 0 IFAARN CN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)S(=O)(=O)c1ccc(F)cc1 ZINC000024987894 557186779 /nfs/dbraw/zinc/18/67/79/557186779.db2.gz WREZKSUXQITNFZ-LJQANCHMSA-N 0 0 448.516 2.971 50 0 IFAARN CN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)S(=O)(=O)c1ccc(F)cc1 ZINC000024987900 557186822 /nfs/dbraw/zinc/18/68/22/557186822.db2.gz WREZKSUXQITNFZ-IBGZPJMESA-N 0 0 448.516 2.971 50 0 IFAARN CCn1c(CNC(=O)c2ccco2)nnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009328618 557187166 /nfs/dbraw/zinc/18/71/66/557187166.db2.gz SGBMFXVSXMWSCV-LBPRGKRZSA-N 0 0 443.485 2.669 50 0 IFAARN Cc1nn(CC(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)c(=O)c2ccccc12 ZINC000024990175 557187404 /nfs/dbraw/zinc/18/74/04/557187404.db2.gz UPBJBVSBZPMVHW-UHFFFAOYSA-N 0 0 446.463 2.562 50 0 IFAARN COc1cc2ncn(CCCC(=O)NCCCn3cnc4ccccc43)c(=O)c2cc1OC ZINC000024991442 557187679 /nfs/dbraw/zinc/18/76/79/557187679.db2.gz LBAQLBPSTPUXMR-UHFFFAOYSA-N 0 0 449.511 2.750 50 0 IFAARN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CNC(=O)c3ccccc3F)C2=O)cc1 ZINC000097996369 557188173 /nfs/dbraw/zinc/18/81/73/557188173.db2.gz YYPFDHFWCYWOBE-LDADJPATSA-N 0 0 441.484 2.717 50 0 IFAARN O=C(CNC(=O)c1ccc(Cl)cc1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000097996356 557188294 /nfs/dbraw/zinc/18/82/94/557188294.db2.gz SDNNIISDHUTJHN-SFQUDFHCSA-N 0 0 443.912 2.923 50 0 IFAARN Cn1ncc2c1ncnc2SCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000025000663 557188677 /nfs/dbraw/zinc/18/86/77/557188677.db2.gz OOSLGBIVAOBLMH-CYBMUJFWSA-N 0 0 436.419 2.762 50 0 IFAARN CCC(=O)c1cc(Cl)ccc1OS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000024370624 557189154 /nfs/dbraw/zinc/18/91/54/557189154.db2.gz KIZMVRQTNZNGPS-UHFFFAOYSA-N 0 0 431.919 2.951 50 0 IFAARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C\c1cccnc1 ZINC000098004264 557189470 /nfs/dbraw/zinc/18/94/70/557189470.db2.gz RXDVIZXSCOZBQI-YVMONPNESA-N 0 0 431.514 2.542 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nc2ccccc2c(=O)n1C ZINC000025047268 557190540 /nfs/dbraw/zinc/19/05/40/557190540.db2.gz RFGQKRCEECBRCK-UHFFFAOYSA-N 0 0 426.542 2.527 50 0 IFAARN Cc1ccc(O)c(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2C)c1 ZINC000009583042 557190526 /nfs/dbraw/zinc/19/05/26/557190526.db2.gz OEOKYJCHIJHMEX-UHFFFAOYSA-N 0 0 429.477 2.880 50 0 IFAARN Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000025049821 557191075 /nfs/dbraw/zinc/19/10/75/557191075.db2.gz PEDUJQHDFQCIOX-UHFFFAOYSA-N 0 0 429.473 2.956 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000000789462 557191379 /nfs/dbraw/zinc/19/13/79/557191379.db2.gz LXRPVVNNBNLQMX-UHFFFAOYSA-N 0 0 436.917 2.786 50 0 IFAARN O=C1[C@@H]2C(c3ccc(Br)cc3)=NO[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 ZINC000100859685 557192837 /nfs/dbraw/zinc/19/28/37/557192837.db2.gz QCSKPXRMZDKDEA-WBVHZDCISA-N 0 0 429.226 2.513 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3ccc(CN4CCCC4=O)cc3)CC2)cc1F ZINC000025139602 557196454 /nfs/dbraw/zinc/19/64/54/557196454.db2.gz FSXKPFRUMINBMA-UHFFFAOYSA-N 0 0 425.504 2.915 50 0 IFAARN O=C(Nc1nnc([C@@H]2CCCO2)o1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010971412 557196794 /nfs/dbraw/zinc/19/67/94/557196794.db2.gz OILVTCDJTDPIGE-NSHDSACASA-N 0 0 446.938 2.675 50 0 IFAARN O=C(C1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000025167943 557198028 /nfs/dbraw/zinc/19/80/28/557198028.db2.gz QOJHKTOEGNVUOV-UHFFFAOYSA-N 0 0 440.871 2.618 50 0 IFAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 ZINC000025175579 557198631 /nfs/dbraw/zinc/19/86/31/557198631.db2.gz FBFXDWTWMRTXSL-IBGZPJMESA-N 0 0 440.887 2.739 50 0 IFAARN Cc1cc(NC(=O)[C@@H](NCc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc2)no1 ZINC000025215153 557200143 /nfs/dbraw/zinc/20/01/43/557200143.db2.gz YUURWELHFSALCE-QFIPXVFZSA-N 0 0 434.496 2.925 50 0 IFAARN Cc1cccn2cc(COc3ccccc3C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc12 ZINC000072236014 557200865 /nfs/dbraw/zinc/20/08/65/557200865.db2.gz NHESCJFQYXMXFI-QFIPXVFZSA-N 0 0 448.523 2.685 50 0 IFAARN CN1C(=O)Cc2cc(-c3csc(CN4C(=O)c5ccccc5S4(=O)=O)n3)ccc21 ZINC000025317707 557203454 /nfs/dbraw/zinc/20/34/54/557203454.db2.gz IBYQANMRLNOERC-UHFFFAOYSA-N 0 0 425.491 2.674 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c(OC)c1 ZINC000011584443 557204762 /nfs/dbraw/zinc/20/47/62/557204762.db2.gz UOHRCYGMQDQYEQ-KRWDZBQOSA-N 0 0 444.484 2.562 50 0 IFAARN CCCCn1nc(C)c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1Cl ZINC000025345322 557205543 /nfs/dbraw/zinc/20/55/43/557205543.db2.gz XJAVPRXORQLZOT-UHFFFAOYSA-N 0 0 438.981 2.933 50 0 IFAARN O=C1C[C@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000096839674 557205885 /nfs/dbraw/zinc/20/58/85/557205885.db2.gz OQFXOSDQVDMIJR-SFHVURJKSA-N 0 0 430.302 2.609 50 0 IFAARN CC(C)(C)NC(=O)CN1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000025389363 557206960 /nfs/dbraw/zinc/20/69/60/557206960.db2.gz RQNUYGIOAPCJJI-UHFFFAOYSA-N 0 0 432.952 2.987 50 0 IFAARN O=C(COC(=O)c1ccccc1I)c1ccc2c(c1)NC(=O)CO2 ZINC000025391274 557207275 /nfs/dbraw/zinc/20/72/75/557207275.db2.gz UFJVBGUWVLGHNG-UHFFFAOYSA-N 0 0 437.189 2.662 50 0 IFAARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000247716892 557208360 /nfs/dbraw/zinc/20/83/60/557208360.db2.gz NWANDGFJGLFONL-TVFCKZIOSA-N 0 0 428.275 2.994 50 0 IFAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3ccc(C)cc3Cl)c(=O)n3c2CCCC3)no1 ZINC000169763843 557211117 /nfs/dbraw/zinc/21/11/17/557211117.db2.gz IMEBKEULTKQJGG-UHFFFAOYSA-N 0 0 443.891 2.559 50 0 IFAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3ccccc3CC)c(=O)n3c2CCCCC3)no1 ZINC000169763956 557211464 /nfs/dbraw/zinc/21/14/64/557211464.db2.gz ZDFAWVGNDFDRIT-UHFFFAOYSA-N 0 0 437.500 2.550 50 0 IFAARN O=S(=O)(c1cccs1)N1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000025480640 557212153 /nfs/dbraw/zinc/21/21/53/557212153.db2.gz ZGRQDZYMXGUTTC-AZUAARDMSA-N 0 0 436.599 2.510 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3CCCC3=O)cc2)s1 ZINC000025499598 557212320 /nfs/dbraw/zinc/21/23/20/557212320.db2.gz UMHKNEUPDLAAPM-GOSISDBHSA-N 0 0 447.582 2.653 50 0 IFAARN CCNc1nc(-n2cnc(SCCOc3ccc(C)cc3)n2)nc(N2CCCC2)n1 ZINC000025496471 557212412 /nfs/dbraw/zinc/21/24/12/557212412.db2.gz ZDFQJEBGLGLOBA-UHFFFAOYSA-N 0 0 426.550 2.964 50 0 IFAARN O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000025538970 557213539 /nfs/dbraw/zinc/21/35/39/557213539.db2.gz BZTVBTRSCDETEF-UHFFFAOYSA-N 0 0 430.516 2.623 50 0 IFAARN Cc1cccc(C)c1N1C(=O)C[C@@H](N(O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)C1=O ZINC000101030652 557214809 /nfs/dbraw/zinc/21/48/09/557214809.db2.gz ITTDHQNVGAWNQU-HDICACEKSA-N 0 0 435.480 2.575 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000025605401 557218408 /nfs/dbraw/zinc/21/84/08/557218408.db2.gz FRQITHLBRRIKLX-UHFFFAOYSA-N 0 0 442.431 2.834 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccccc3F)CC2)cc1 ZINC000025607961 557218961 /nfs/dbraw/zinc/21/89/61/557218961.db2.gz YMXIGNOYOMSOQE-UHFFFAOYSA-N 0 0 436.530 2.654 50 0 IFAARN CCn1c2ccccc2n(CCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1=O ZINC000025638397 557220272 /nfs/dbraw/zinc/22/02/72/557220272.db2.gz QYGXATIUJCTTBJ-QFIPXVFZSA-N 0 0 440.519 2.542 50 0 IFAARN COc1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000011000952 557221293 /nfs/dbraw/zinc/22/12/93/557221293.db2.gz YRQQLMGPTBYAAR-UHFFFAOYSA-N 0 0 448.541 2.558 50 0 IFAARN CC(=O)Nc1ccc(-c2csc(NC(=O)Cn3nnc4ccccc4c3=O)n2)c(F)c1 ZINC000010995123 557223015 /nfs/dbraw/zinc/22/30/15/557223015.db2.gz BDHUVTPZNABBKZ-UHFFFAOYSA-N 0 0 438.444 2.651 50 0 IFAARN CCC(CC)[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC ZINC000072300932 557223401 /nfs/dbraw/zinc/22/34/01/557223401.db2.gz PFGPCJULANCBDK-RDPSFJRHSA-N 0 0 439.512 2.701 50 0 IFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)O[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000025747498 557224129 /nfs/dbraw/zinc/22/41/29/557224129.db2.gz FUOBHCITEUGUSQ-GFCCVEGCSA-N 0 0 435.860 2.568 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2cccc(NC(=O)C3CC3)c2)s1 ZINC000025752480 557224275 /nfs/dbraw/zinc/22/42/75/557224275.db2.gz HXODFEJGFADRFL-GOSISDBHSA-N 0 0 447.582 2.875 50 0 IFAARN O=C(CSc1nnc(-c2cccs2)o1)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000025777041 557225556 /nfs/dbraw/zinc/22/55/56/557225556.db2.gz AVMMEXNHMBAVLD-INIZCTEOSA-N 0 0 430.555 2.907 50 0 IFAARN Cc1ccc(NC(=O)Cn2nnc(-c3cccs3)n2)cc1I ZINC000010930070 557226162 /nfs/dbraw/zinc/22/61/62/557226162.db2.gz CQFZXCQGAFCZJG-UHFFFAOYSA-N 0 0 425.255 2.953 50 0 IFAARN COCCOc1ccc(NC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)cn1 ZINC000025855515 557228777 /nfs/dbraw/zinc/22/87/77/557228777.db2.gz VAAFMORHDAKMNA-UHFFFAOYSA-N 0 0 429.502 2.502 50 0 IFAARN CCCCOC(=O)[C@@H](C)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000072303208 557229400 /nfs/dbraw/zinc/22/94/00/557229400.db2.gz KBMZDHOOKYIXGM-GFCCVEGCSA-N 0 0 439.306 2.673 50 0 IFAARN O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025895853 557229504 /nfs/dbraw/zinc/22/95/04/557229504.db2.gz ZLPAWRNOEXVHFJ-NRFANRHFSA-N 0 0 444.553 2.828 50 0 IFAARN NS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000011456875 557229516 /nfs/dbraw/zinc/22/95/16/557229516.db2.gz ICYNHONCLGZCRQ-UHFFFAOYSA-N 0 0 440.477 2.600 50 0 IFAARN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000025901405 557229782 /nfs/dbraw/zinc/22/97/82/557229782.db2.gz PCORALLRVOMANM-SJLPKXTDSA-N 0 0 429.542 2.788 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1cc(F)ccc1N(CCc1ccccc1)C2=O ZINC000000806625 557230064 /nfs/dbraw/zinc/23/00/64/557230064.db2.gz STULAYJAHCBJQE-OAQYLSRUSA-N 0 0 426.473 2.570 50 0 IFAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000025906336 557230058 /nfs/dbraw/zinc/23/00/58/557230058.db2.gz AFIFZJPCAICMCN-INIZCTEOSA-N 0 0 447.582 2.609 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cnc3ccccc3c2C(F)(F)F)NC(=O)N[C@H]1C ZINC000025986734 557231609 /nfs/dbraw/zinc/23/16/09/557231609.db2.gz DFYLGLKXZAIAMB-JTQLQIEISA-N 0 0 437.374 2.929 50 0 IFAARN O=C(NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000025984184 557231633 /nfs/dbraw/zinc/23/16/33/557231633.db2.gz RCICOUPVIWHSOA-INIZCTEOSA-N 0 0 441.509 2.738 50 0 IFAARN Cc1cc2oc(=O)cc(Cn3c(=O)c4ccc(C(F)(F)F)nc4n(C)c3=O)c2cc1C ZINC000026129904 557235800 /nfs/dbraw/zinc/23/58/00/557235800.db2.gz FCGCTXJQACYCIG-UHFFFAOYSA-N 0 0 431.370 2.886 50 0 IFAARN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 ZINC000026308575 557239045 /nfs/dbraw/zinc/23/90/45/557239045.db2.gz CAHFSNLFECDYLX-KDOFPFPSSA-N 0 0 428.480 2.593 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl ZINC000000810425 557243184 /nfs/dbraw/zinc/24/31/84/557243184.db2.gz RCHVCVBUCFGQEE-UHFFFAOYSA-N 0 0 431.297 2.805 50 0 IFAARN O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000026539022 557244047 /nfs/dbraw/zinc/24/40/47/557244047.db2.gz QLPKOGLUWSCBKX-UHFFFAOYSA-N 0 0 425.510 2.808 50 0 IFAARN COC(=O)c1cn(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc12 ZINC000026539680 557244084 /nfs/dbraw/zinc/24/40/84/557244084.db2.gz FRIZWDILXZLUME-UHFFFAOYSA-N 0 0 435.480 2.501 50 0 IFAARN C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN1CCC(NC(=O)c3ccc(F)cc3)CC1)C2=O ZINC000026651323 557246144 /nfs/dbraw/zinc/24/61/44/557246144.db2.gz MGBTXWOJJFFUEO-HZPDHXFCSA-N 0 0 430.524 2.724 50 0 IFAARN CCCn1cc(C(=O)OCC)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000072265071 557246190 /nfs/dbraw/zinc/24/61/90/557246190.db2.gz GWKTXJKCFQZDSP-UHFFFAOYSA-N 0 0 440.953 2.634 50 0 IFAARN O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000026677164 557246489 /nfs/dbraw/zinc/24/64/89/557246489.db2.gz IBPMLRSNOSGGTO-UHFFFAOYSA-N 0 0 438.534 2.991 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)cc1 ZINC000604404933 557248060 /nfs/dbraw/zinc/24/80/60/557248060.db2.gz JMLOHJSGZYOFKZ-QHCPKHFHSA-N 0 0 440.459 2.800 50 0 IFAARN Cc1ccccc1-c1noc(CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1 ZINC000026831375 557249520 /nfs/dbraw/zinc/24/95/20/557249520.db2.gz VFDLPFUSWHAWQU-UHFFFAOYSA-N 0 0 434.468 2.830 50 0 IFAARN CSCC[C@H](NC(=O)c1c(C)c(C)sc1-n1cnnn1)c1nnc2ccccn21 ZINC000604418595 557250238 /nfs/dbraw/zinc/25/02/38/557250238.db2.gz CTRZVFLJYCDKCJ-ZDUSSCGKSA-N 0 0 428.547 2.608 50 0 IFAARN COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604418720 557250755 /nfs/dbraw/zinc/25/07/55/557250755.db2.gz PWMKSBZXEYPWHQ-AWEZNQCLSA-N 0 0 435.402 2.940 50 0 IFAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000018215901 557252675 /nfs/dbraw/zinc/25/26/75/557252675.db2.gz LLRKVCSMACZIJA-STQMWFEESA-N 0 0 444.841 2.623 50 0 IFAARN O=c1c2sccc2nnn1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000390830150 557256680 /nfs/dbraw/zinc/25/66/80/557256680.db2.gz JDLYTMRVDJWWQI-UHFFFAOYSA-N 0 0 430.555 2.758 50 0 IFAARN O=c1c2sccc2nnn1C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000390832357 557257487 /nfs/dbraw/zinc/25/74/87/557257487.db2.gz YWZZGUMPFCYYMK-UHFFFAOYSA-N 0 0 444.460 2.898 50 0 IFAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)COC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000027263539 557259478 /nfs/dbraw/zinc/25/94/78/557259478.db2.gz BVLLIXUWKWKDQQ-UHFFFAOYSA-N 0 0 449.916 2.545 50 0 IFAARN C[C@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O ZINC000027292507 557259804 /nfs/dbraw/zinc/25/98/04/557259804.db2.gz NBHQOGGYFUGVFE-CYBMUJFWSA-N 0 0 431.851 2.990 50 0 IFAARN C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O ZINC000027292502 557259841 /nfs/dbraw/zinc/25/98/41/557259841.db2.gz NBHQOGGYFUGVFE-ZDUSSCGKSA-N 0 0 431.851 2.990 50 0 IFAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccc(I)c1 ZINC000027384720 557261533 /nfs/dbraw/zinc/26/15/33/557261533.db2.gz APTKMHVNGGNTOI-NSHDSACASA-N 0 0 444.294 2.772 50 0 IFAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(I)cc1 ZINC000027383947 557261598 /nfs/dbraw/zinc/26/15/98/557261598.db2.gz KIQKQBBONMPURX-LLVKDONJSA-N 0 0 444.294 2.772 50 0 IFAARN CC(C)NC(=O)C1CCN(C(=O)[C@H](C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1 ZINC000000819460 557262660 /nfs/dbraw/zinc/26/26/60/557262660.db2.gz UYGDHPWLMAPBIR-FQEVSTJZSA-N 0 0 443.931 2.689 50 0 IFAARN CCOc1ccc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2Br)cc1 ZINC000027501452 557263183 /nfs/dbraw/zinc/26/31/83/557263183.db2.gz MPFKLRUCWOAYFA-UHFFFAOYSA-N 0 0 427.320 2.767 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000100570340 557265046 /nfs/dbraw/zinc/26/50/46/557265046.db2.gz VYCBPIJLGXTPRF-FQEVSTJZSA-N 0 0 441.915 2.971 50 0 IFAARN CC1=C(C(=O)OCCO[N+](=O)[O-])[C@@H](c2ccccc2C(F)(F)F)C([N+](=O)[O-])=C(C)N1 ZINC000100644664 557267481 /nfs/dbraw/zinc/26/74/81/557267481.db2.gz UKKGXITYIIMGLF-CQSZACIVSA-N 0 0 431.323 2.926 50 0 IFAARN COc1ccc(CN(CC(=O)N2c3ccccc3C[C@H]2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027649121 557268261 /nfs/dbraw/zinc/26/82/61/557268261.db2.gz WOHVFLKWHMIXLP-YLJYHZDGSA-N 0 0 428.554 2.662 50 0 IFAARN COc1ccc(CN(CC(=O)N2CCCc3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027649022 557268307 /nfs/dbraw/zinc/26/83/07/557268307.db2.gz TZJCONSTHBAAOY-HXUWFJFHSA-N 0 0 428.554 2.664 50 0 IFAARN COC(=O)COc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 ZINC000024950171 557268556 /nfs/dbraw/zinc/26/85/56/557268556.db2.gz CTGIIXFGKRHBTQ-UHFFFAOYSA-N 0 0 434.404 2.880 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1c2c(sc1NC(=O)[C@H]1COc3ccccc3O1)CCC2 ZINC000027663171 557269398 /nfs/dbraw/zinc/26/93/98/557269398.db2.gz LZEWWTLTXUSBSU-CXAGYDPISA-N 0 0 428.510 2.924 50 0 IFAARN O=C1N[C@H](c2ccc3c(c2)OCO3)C(=C(O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000027664420 557270315 /nfs/dbraw/zinc/27/03/15/557270315.db2.gz DDDPLLOHRYKKSO-IIDMSEBBSA-N 0 0 426.322 2.658 50 0 IFAARN NS(=O)(=O)c1ccc(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 ZINC000000824914 557270389 /nfs/dbraw/zinc/27/03/89/557270389.db2.gz UFXBPIGNDBMZFE-GFCCVEGCSA-N 0 0 428.750 2.934 50 0 IFAARN CSCC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000101338825 557274586 /nfs/dbraw/zinc/27/45/86/557274586.db2.gz KPOPCGXMTXIMLO-PCCBWWKXSA-N 0 0 443.613 2.628 50 0 IFAARN COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc(Br)c4)C(O)=C23)c(OC)c1 ZINC000101358982 557275596 /nfs/dbraw/zinc/27/55/96/557275596.db2.gz YGSIKGVIXXFPIC-NVXWUHKLSA-N 0 0 431.242 2.759 50 0 IFAARN O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccc(Cl)cc1)N1CCN(CCO)CC1 ZINC000101016398 557281446 /nfs/dbraw/zinc/28/14/46/557281446.db2.gz CLNSSYSGSRQJEL-GMAHTHKFSA-N 0 0 427.932 2.716 50 0 IFAARN O=C1Nc2ccc(Br)cc2[C@@H]1Cc1nc2ccccc2c(=O)n1CCCO ZINC000101418639 557284902 /nfs/dbraw/zinc/28/49/02/557284902.db2.gz YFGOUXAVVUCHTP-HNNXBMFYSA-N 0 0 428.286 2.820 50 0 IFAARN CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)C[C@@H]1c1ccc(C)s1 ZINC000101456031 557286305 /nfs/dbraw/zinc/28/63/05/557286305.db2.gz GWTJHUMLYMSWAE-QGZVFWFLSA-N 0 0 438.509 2.916 50 0 IFAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 ZINC000101590079 557291263 /nfs/dbraw/zinc/29/12/63/557291263.db2.gz ODRSGVPAKCIRNW-MBDNFAEBSA-N 0 0 443.459 2.517 50 0 IFAARN Cc1cc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000031782949 557294029 /nfs/dbraw/zinc/29/40/29/557294029.db2.gz WNVYSFGCNMEELE-UHFFFAOYSA-N 0 0 448.552 2.652 50 0 IFAARN O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000084405656 557298112 /nfs/dbraw/zinc/29/81/12/557298112.db2.gz ADOFXAMTLCRALK-UHFFFAOYSA-N 0 0 434.993 2.994 50 0 IFAARN O=C([C@H](c1ccccc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCCC1 ZINC000013165362 557298356 /nfs/dbraw/zinc/29/83/56/557298356.db2.gz LBARWMZNLAYQJJ-CEMPLAKHSA-N 0 0 439.581 2.968 50 0 IFAARN CCc1ccc(CNc2nn3c(nc(CN4CCN(c5ccccc5)CC4)cc3=O)[nH]2)cc1 ZINC000101796954 557298640 /nfs/dbraw/zinc/29/86/40/557298640.db2.gz NHVUVQHYMDNWCQ-UHFFFAOYSA-N 0 0 443.555 2.914 50 0 IFAARN Cc1ccc2c(c1)N(Cc1ccccc1Cl)N=C(C(=O)N1CCOCC1)S2(=O)=O ZINC000049402753 557306996 /nfs/dbraw/zinc/30/69/96/557306996.db2.gz GUMHCIRIZDUDSY-UHFFFAOYSA-N 0 0 433.917 2.615 50 0 IFAARN Cc1ccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 ZINC000049402766 557307004 /nfs/dbraw/zinc/30/70/04/557307004.db2.gz RZZFSXRXHYBJAP-UHFFFAOYSA-N 0 0 433.917 2.615 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000102020403 557312141 /nfs/dbraw/zinc/31/21/41/557312141.db2.gz KDLLZBQBJKFOFS-FHWLQOOXSA-N 0 0 425.529 2.724 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102020396 557312158 /nfs/dbraw/zinc/31/21/58/557312158.db2.gz KDLLZBQBJKFOFS-CEXWTWQISA-N 0 0 425.529 2.724 50 0 IFAARN O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000102128346 557312845 /nfs/dbraw/zinc/31/28/45/557312845.db2.gz JFNJOVQWOBZHIP-GASCZTMLSA-N 0 0 442.390 2.632 50 0 IFAARN O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000102128353 557312878 /nfs/dbraw/zinc/31/28/78/557312878.db2.gz JFNJOVQWOBZHIP-GJZGRUSLSA-N 0 0 442.390 2.632 50 0 IFAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NCc1cccnc1 ZINC000102288390 557317423 /nfs/dbraw/zinc/31/74/23/557317423.db2.gz OLQBTDCNZUIRBH-KDURUIRLSA-N 0 0 427.526 2.544 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000102381663 557319872 /nfs/dbraw/zinc/31/98/72/557319872.db2.gz SEMNONKIKNRDCV-WSTZPKSXSA-N 0 0 433.464 2.917 50 0 IFAARN Cc1ccc(-c2nc(C)c(C(=O)NCCCN3CCN(c4ncccn4)CC3)s2)o1 ZINC000032976716 557320009 /nfs/dbraw/zinc/32/00/09/557320009.db2.gz CDFPIHMBGFEXDQ-UHFFFAOYSA-N 0 0 426.546 2.752 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O ZINC000033047523 557322855 /nfs/dbraw/zinc/32/28/55/557322855.db2.gz JRRREXFUOOYERK-SMASLZHESA-N 0 0 447.557 2.713 50 0 IFAARN CCOC(=O)c1noc2nc(C)n([C@@H](CC)C(=O)N3CCOc4ccc(C)cc43)c(=O)c21 ZINC000033059529 557323115 /nfs/dbraw/zinc/32/31/15/557323115.db2.gz IGTNMWRWJRSEJC-AWEZNQCLSA-N 0 0 440.456 2.555 50 0 IFAARN COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)C1 ZINC000033059089 557323122 /nfs/dbraw/zinc/32/31/22/557323122.db2.gz ZNIMWFUMBGXXFL-GNISGLHKSA-N 0 0 447.557 2.625 50 0 IFAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000033124610 557324599 /nfs/dbraw/zinc/32/45/99/557324599.db2.gz AHUGOQDYBATPBW-NRFANRHFSA-N 0 0 436.487 2.878 50 0 IFAARN CC1CCN(Cc2nc3sc4c(c3c(NC3CCN(CC(N)=O)CC3)n2)CCC4)CC1 ZINC000014228941 557326819 /nfs/dbraw/zinc/32/68/19/557326819.db2.gz DXGQRNPCQDDHMY-UHFFFAOYSA-N 0 0 442.633 2.774 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1cccc(C)c1)[C@](C)(C(=O)NCc1ccccc1)C2 ZINC000033265928 557328305 /nfs/dbraw/zinc/32/83/05/557328305.db2.gz NYCBPRGKLRUOJM-VWLOTQADSA-N 0 0 446.507 2.709 50 0 IFAARN Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)s2)cc1 ZINC000033263242 557330122 /nfs/dbraw/zinc/33/01/22/557330122.db2.gz XGJYLPQVWNFRHX-OAHLLOKOSA-N 0 0 427.530 2.573 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccccc2)CC3)n1CC ZINC000033287922 557332033 /nfs/dbraw/zinc/33/20/33/557332033.db2.gz IMXHHQQUWLRZCL-UHFFFAOYSA-N 0 0 432.575 2.558 50 0 IFAARN Cc1ccc(CNC(=O)Cn2c3c(c(=O)n4nc(-c5ccc(C)cc5)nc42)CCC3)cc1 ZINC000033324804 557333297 /nfs/dbraw/zinc/33/32/97/557333297.db2.gz NZPYWYBYVARMAS-UHFFFAOYSA-N 0 0 427.508 2.980 50 0 IFAARN Cc1cc(C(=O)NCC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c(C)o1 ZINC000072311708 557333380 /nfs/dbraw/zinc/33/33/80/557333380.db2.gz FUWDICNMEIVREB-OAHLLOKOSA-N 0 0 428.407 2.543 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)c(C)n2n1 ZINC000024869856 557333806 /nfs/dbraw/zinc/33/38/06/557333806.db2.gz RQMXXVGERGVAKG-INIZCTEOSA-N 0 0 438.557 2.883 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000033402916 557334477 /nfs/dbraw/zinc/33/44/77/557334477.db2.gz VWNWFHVWJHKHDW-AQTBWJFISA-N 0 0 427.507 2.805 50 0 IFAARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O ZINC000000837892 557338180 /nfs/dbraw/zinc/33/81/80/557338180.db2.gz FTZGJCNTNBPMFN-GZTJUZNOSA-N 0 0 436.855 2.999 50 0 IFAARN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2N2CCCN12 ZINC000100165977 557340269 /nfs/dbraw/zinc/34/02/69/557340269.db2.gz PMSDETNOPBQOLI-QRVBRYPASA-N 0 0 442.313 2.993 50 0 IFAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(c2c3c(nc4ncnn42)CCCC3)CC1 ZINC000023336206 557348790 /nfs/dbraw/zinc/34/87/90/557348790.db2.gz SVSQMQLIJRYHLL-UHFFFAOYSA-N 0 0 446.433 2.864 50 0 IFAARN CCOC(=O)c1nc2ccccc2nc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000023437408 557354618 /nfs/dbraw/zinc/35/46/18/557354618.db2.gz XTIMWNZIWNXQFP-UHFFFAOYSA-N 0 0 440.525 2.708 50 0 IFAARN CC(C)c1cc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c2cnn(C(C)C)c2n1 ZINC000023462771 557361512 /nfs/dbraw/zinc/36/15/12/557361512.db2.gz SBLFUJIBRPLWRJ-UHFFFAOYSA-N 0 0 447.547 2.775 50 0 IFAARN CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000023473767 557363314 /nfs/dbraw/zinc/36/33/14/557363314.db2.gz URDUMIREFGQZRG-UHFFFAOYSA-N 0 0 438.887 2.503 50 0 IFAARN COc1ccc(N2C(=O)C[C@H](N3CCN(CCOc4ccccc4)CC3)C2=O)cc1Cl ZINC000102701079 557365339 /nfs/dbraw/zinc/36/53/39/557365339.db2.gz FIWHIVUWVBNVPS-FQEVSTJZSA-N 0 0 443.931 2.677 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)CC1 ZINC000100200095 557366161 /nfs/dbraw/zinc/36/61/61/557366161.db2.gz JBNAIMHITWLFDJ-KDURUIRLSA-N 0 0 435.480 2.557 50 0 IFAARN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2N2CCCN12 ZINC000102706698 557366918 /nfs/dbraw/zinc/36/69/18/557366918.db2.gz PMSDETNOPBQOLI-GUDVDZBRSA-N 0 0 442.313 2.993 50 0 IFAARN Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 ZINC000011689747 557368109 /nfs/dbraw/zinc/36/81/09/557368109.db2.gz KEBOBLQGCOVHLR-HNNXBMFYSA-N 0 0 434.525 2.951 50 0 IFAARN CC(C)CCN(C(=O)[C@H]1CC1(Cl)Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023683915 557371454 /nfs/dbraw/zinc/37/14/54/557371454.db2.gz RUDWPJVAQFPKHR-CQSZACIVSA-N 0 0 439.343 2.740 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(C/C=C\c2ccccc2)c(=O)n3C)n1-c1cccc(O)c1 ZINC000102735569 557373209 /nfs/dbraw/zinc/37/32/09/557373209.db2.gz WEOPQJBHGCLMOK-YFHOEESVSA-N 0 0 427.464 2.866 50 0 IFAARN O=C(CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000102785302 557388209 /nfs/dbraw/zinc/38/82/09/557388209.db2.gz QSSKEPATFKKOCP-HOTGVXAUSA-N 0 0 428.876 2.738 50 0 IFAARN Cc1ccc(C)c(COc2ccc(N3CCn4c3nc3c4c(=O)n(C)c(=O)n3C)cc2)c1 ZINC000011692410 557388796 /nfs/dbraw/zinc/38/87/96/557388796.db2.gz FUKRXLASYDHIBE-UHFFFAOYSA-N 0 0 431.496 2.781 50 0 IFAARN CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccccc1OC ZINC000013858111 557391548 /nfs/dbraw/zinc/39/15/48/557391548.db2.gz HRAUUYKWVTYBGR-LBPRGKRZSA-N 0 0 446.558 2.985 50 0 IFAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)c4cccc(C)c4)nn32)cc1OC ZINC000011693942 557391887 /nfs/dbraw/zinc/39/18/87/557391887.db2.gz DPYAQUOGYCUUGJ-UHFFFAOYSA-N 0 0 433.468 2.926 50 0 IFAARN O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000011694094 557391954 /nfs/dbraw/zinc/39/19/54/557391954.db2.gz POBLBKSCOYXZDT-UHFFFAOYSA-N 0 0 441.871 2.796 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCNC(=O)[C@H](C)Oc3ccccc3F)n2)cc1OC ZINC000011694469 557392402 /nfs/dbraw/zinc/39/24/02/557392402.db2.gz RGGZAGAFKGFPKH-HNNXBMFYSA-N 0 0 441.459 2.650 50 0 IFAARN O=S(=O)(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cc(F)ccc1F ZINC000011694556 557392633 /nfs/dbraw/zinc/39/26/33/557392633.db2.gz GGVOXHIOBBETKF-UHFFFAOYSA-N 0 0 449.414 2.566 50 0 IFAARN COC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000011696098 557393916 /nfs/dbraw/zinc/39/39/16/557393916.db2.gz LBNLGEMKPNZJED-WMLDXEAASA-N 0 0 442.541 2.531 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000011698127 557395123 /nfs/dbraw/zinc/39/51/23/557395123.db2.gz LQCCKXJLCZJFQV-UHFFFAOYSA-N 0 0 443.481 2.977 50 0 IFAARN CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3CC)n2C)s1 ZINC000013956079 557397988 /nfs/dbraw/zinc/39/79/88/557397988.db2.gz MMRBYPOYINPRRM-UHFFFAOYSA-N 0 0 445.574 2.703 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000033468218 557400923 /nfs/dbraw/zinc/40/09/23/557400923.db2.gz QNYFCELIOZXORM-UHFFFAOYSA-N 0 0 443.930 2.771 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(C/C=C\c2ccccc2)c(=O)n3C)n1-c1ccccc1O ZINC000102910364 557411949 /nfs/dbraw/zinc/41/19/49/557411949.db2.gz UACBKKNKSGWVIE-FLIBITNWSA-N 0 0 427.464 2.866 50 0 IFAARN CCOC(=O)c1oc2ccccc2c1COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102957132 557413628 /nfs/dbraw/zinc/41/36/28/557413628.db2.gz KVAPTMPALFFXED-IYBDPMFKSA-N 0 0 425.437 2.994 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000033581503 557414239 /nfs/dbraw/zinc/41/42/39/557414239.db2.gz DRFNEKPZPRHYPF-RPXHZFJKSA-N 0 0 440.546 2.868 50 0 IFAARN CCN(C(=O)CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000033589526 557415615 /nfs/dbraw/zinc/41/56/15/557415615.db2.gz CGXMJYICEXVMJR-JXEIYGLSSA-N 0 0 448.566 2.705 50 0 IFAARN C[C@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000103072585 557418292 /nfs/dbraw/zinc/41/82/92/557418292.db2.gz BBSMPINLNMSYNB-RTXFEEFZSA-N 0 0 444.841 2.622 50 0 IFAARN O=C([C@@H]1[C@@H](c2ccc3c(c2)OCO3)NC(=O)N[C@]1(O)c1ccc(F)cc1)C(F)(F)F ZINC000103215137 557427777 /nfs/dbraw/zinc/42/77/77/557427777.db2.gz HBVOHZHYHIVVHP-DAYGRLMNSA-N 0 0 426.322 2.501 50 0 IFAARN CC(C)(C)NC(=O)CN1CCCN(CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000103299380 557433862 /nfs/dbraw/zinc/43/38/62/557433862.db2.gz QEZSEJXFPFGLBH-HSZRJFAPSA-N 0 0 442.629 2.876 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[C@H]1C ZINC000103966928 557443543 /nfs/dbraw/zinc/44/35/43/557443543.db2.gz BTAPIGPJDGLGEM-JTDSTZFVSA-N 0 0 427.998 2.587 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2C[C@H]1C ZINC000104392564 557454660 /nfs/dbraw/zinc/45/46/60/557454660.db2.gz NTCKEVVPLWFMCB-QCBUCWTNSA-N 0 0 435.590 2.593 50 0 IFAARN C[C@H](C(=O)Nc1c(F)cccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000104677656 557457757 /nfs/dbraw/zinc/45/77/57/557457757.db2.gz YVDWXQRHZMPDLV-ZIAGYGMSSA-N 0 0 430.455 2.988 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)c1 ZINC000085690521 557458922 /nfs/dbraw/zinc/45/89/22/557458922.db2.gz FDGMCSVLESEXDE-MRXNPFEDSA-N 0 0 435.484 2.980 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)cc1OC ZINC000085690408 557459024 /nfs/dbraw/zinc/45/90/24/557459024.db2.gz LRRXKMFBGRKFTL-MRXNPFEDSA-N 0 0 435.484 2.980 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000014829274 557469259 /nfs/dbraw/zinc/46/92/59/557469259.db2.gz RNFWHEYBNGWCGT-UHFFFAOYSA-N 0 0 444.481 2.720 50 0 IFAARN Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nnn1-c1ccc(Cl)cc1 ZINC000051317487 557469270 /nfs/dbraw/zinc/46/92/70/557469270.db2.gz FYVRGHXZFHZMKD-UHFFFAOYSA-N 0 0 439.903 2.916 50 0 IFAARN COc1cccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)N(C)C)c1 ZINC000105531656 557507285 /nfs/dbraw/zinc/50/72/85/557507285.db2.gz ALEWYHKOYUJCTI-IVZQSRNASA-N 0 0 431.558 2.574 50 0 IFAARN CSCC[C@H](C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)N1C(=O)c2ccccc2C1=O ZINC000105672650 557509609 /nfs/dbraw/zinc/50/96/09/557509609.db2.gz LQCUFJLJUWXCSI-ILRDRHFLSA-N 0 0 446.569 2.888 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc3ccccc3)C1)O[C@@H](C)C(=O)N2 ZINC000105845798 557511621 /nfs/dbraw/zinc/51/16/21/557511621.db2.gz ALXATKYVVOZKMK-HOTGVXAUSA-N 0 0 443.525 2.754 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CCCCCC3)C1)O[C@@H](C)C(=O)N2 ZINC000105845671 557511622 /nfs/dbraw/zinc/51/16/22/557511622.db2.gz MMUQZZLQQOIEGJ-IRXDYDNUSA-N 0 0 449.573 2.518 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NC3CCCCC3)C1)O[C@@H](C)C(=O)N2 ZINC000105845627 557511699 /nfs/dbraw/zinc/51/16/99/557511699.db2.gz UFFFYNPFUARUKD-HOTGVXAUSA-N 0 0 449.573 2.564 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)n(C)c1 ZINC000018396531 557512192 /nfs/dbraw/zinc/51/21/92/557512192.db2.gz JWWZMYUNKUGWJO-UHFFFAOYSA-N 0 0 448.497 2.528 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@H]1C ZINC000110523656 557514599 /nfs/dbraw/zinc/51/45/99/557514599.db2.gz QJWQBNBLMGDWSK-ILXRZTDVSA-N 0 0 434.027 2.649 50 0 IFAARN CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000012030630 557524001 /nfs/dbraw/zinc/52/40/01/557524001.db2.gz INZLYCYPAKMTCL-IBGZPJMESA-N 0 0 437.539 2.687 50 0 IFAARN O=C(Nc1cccc2cccnc21)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031484 557524485 /nfs/dbraw/zinc/52/44/85/557524485.db2.gz HAIRUNWUIARWSB-OAHLLOKOSA-N 0 0 448.497 2.587 50 0 IFAARN CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000012029778 557524885 /nfs/dbraw/zinc/52/48/85/557524885.db2.gz JPFAJHLXWXSUKC-LJQANCHMSA-N 0 0 437.539 2.687 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1)O[C@@H](C)C(=O)N2 ZINC000106324966 557528191 /nfs/dbraw/zinc/52/81/91/557528191.db2.gz URAFHPXQOLAEIU-WMLDXEAASA-N 0 0 429.498 2.506 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000106615713 557530804 /nfs/dbraw/zinc/53/08/04/557530804.db2.gz LURVSZISXTYPFL-IFXJQAMLSA-N 0 0 449.935 2.786 50 0 IFAARN C[C@@H]1CN(c2cc(C(=O)NCc3ccccc3CN3C[C@@H](C)O[C@H](C)C3)ccn2)CCO1 ZINC000106920988 557533273 /nfs/dbraw/zinc/53/32/73/557533273.db2.gz BVKOKGVENBAURK-VAMGGRTRSA-N 0 0 438.572 2.846 50 0 IFAARN COc1ccc([C@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1 ZINC000107542332 557536147 /nfs/dbraw/zinc/53/61/47/557536147.db2.gz SILDRNKRNVYBDM-PKTZIBPZSA-N 0 0 444.553 2.665 50 0 IFAARN O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)Nc1cc(F)c(F)c(F)c1 ZINC000044916761 557540619 /nfs/dbraw/zinc/54/06/19/557540619.db2.gz QNLGDRDJIFDVGG-UHFFFAOYSA-N 0 0 443.429 2.626 50 0 IFAARN O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1cccc(Br)c1 ZINC000044922217 557541112 /nfs/dbraw/zinc/54/11/12/557541112.db2.gz FAZPYKCNUMJPNT-UHFFFAOYSA-N 0 0 439.331 2.969 50 0 IFAARN C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@@H]4NC(=O)NC4=O)cc3)cc2)C1 ZINC000108156060 557541332 /nfs/dbraw/zinc/54/13/32/557541332.db2.gz ALBLZTDCLVJBTB-VGSWGCGISA-N 0 0 449.555 2.991 50 0 IFAARN C[C@@H]1CN([C@H](CNC(=O)C2(N3CCOCC3)CCC2)c2c(F)cccc2Cl)CCO1 ZINC000108156931 557541664 /nfs/dbraw/zinc/54/16/64/557541664.db2.gz YZVVCKDWANFVSW-VQIMIIECSA-N 0 0 439.959 2.612 50 0 IFAARN Nc1nc(SCC(=O)NC2CCCC2)ncc1S(=O)(=O)c1ccc(Cl)s1 ZINC000045925153 557550087 /nfs/dbraw/zinc/55/00/87/557550087.db2.gz UROFIYVTHAYPNU-UHFFFAOYSA-N 0 0 432.980 2.757 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccc(OC)cc3)CC2)c1C ZINC000045973929 557555687 /nfs/dbraw/zinc/55/56/87/557555687.db2.gz IBBCGIIUPQBJRH-UHFFFAOYSA-N 0 0 441.528 2.985 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCCc3c(C)noc3C)CC2)c1C ZINC000045973968 557556095 /nfs/dbraw/zinc/55/60/95/557556095.db2.gz AYTMGKVXUHARSF-UHFFFAOYSA-N 0 0 444.532 2.624 50 0 IFAARN O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)Nc1ccc2c(c1)OCCO2 ZINC000045970777 557558279 /nfs/dbraw/zinc/55/82/79/557558279.db2.gz JAPQIPJBMPAHMI-UHFFFAOYSA-N 0 0 441.513 2.726 50 0 IFAARN CCc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4cccc(F)c4)c3=O)n2)cc1 ZINC000045970994 557558283 /nfs/dbraw/zinc/55/82/83/557558283.db2.gz YJOUGTUBBPNDDF-UHFFFAOYSA-N 0 0 431.431 2.836 50 0 IFAARN CCN(Cc1ccccc1)C(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000038263339 557568741 /nfs/dbraw/zinc/56/87/41/557568741.db2.gz XJJYTGZZOWDWRK-QGOAFFKASA-N 0 0 427.570 2.653 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCCCOc1cccnc1 ZINC000014980777 557606169 /nfs/dbraw/zinc/60/61/69/557606169.db2.gz XHRGMAKHUCGLEC-QHCPKHFHSA-N 0 0 432.524 2.511 50 0 IFAARN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000039569174 557651444 /nfs/dbraw/zinc/65/14/44/557651444.db2.gz WCHONVKSZYGTQD-CQSZACIVSA-N 0 0 428.510 2.837 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000039996267 557675205 /nfs/dbraw/zinc/67/52/05/557675205.db2.gz YZIHPHTVRPWWAP-CHWSQXEVSA-N 0 0 444.431 2.943 50 0 IFAARN Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCCC2)no1 ZINC000040015981 557678895 /nfs/dbraw/zinc/67/88/95/557678895.db2.gz SPRCJAYVJRYXHA-UHFFFAOYSA-N 0 0 448.545 2.637 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CSCN2C(=O)NC2CCCCC2)CC1 ZINC000040157377 557706920 /nfs/dbraw/zinc/70/69/20/557706920.db2.gz FFMWWVKDVSRKTI-IBGZPJMESA-N 0 0 432.590 2.761 50 0 IFAARN CCN(CCCNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccccc1 ZINC000028484406 557714141 /nfs/dbraw/zinc/71/41/41/557714141.db2.gz QUXUICAIBNKIMI-UHFFFAOYSA-N 0 0 428.558 2.614 50 0 IFAARN C[C@@H]1CN(Cc2ccccn2)CCN1C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000225384531 557717032 /nfs/dbraw/zinc/71/70/32/557717032.db2.gz ROKYRQWCOLNOME-GOSISDBHSA-N 0 0 442.585 2.649 50 0 IFAARN CC(C)c1c(N2CCC[C@@H](C3OCCO3)C2)ncnc1N1CCC[C@H](C2OCCO2)C1 ZINC000225539881 557738874 /nfs/dbraw/zinc/73/88/74/557738874.db2.gz GBVQHZUJGOAMRU-HDICACEKSA-N 0 0 432.565 2.779 50 0 IFAARN CCc1nc(C(C)(C)NC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)no1 ZINC000225661756 557758797 /nfs/dbraw/zinc/75/87/97/557758797.db2.gz XFJKZRFGJNHZHA-UHFFFAOYSA-N 0 0 433.553 2.900 50 0 IFAARN CCOC(=O)[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1c(C)nn(-c2ccccc2)c1C ZINC000225668202 557759877 /nfs/dbraw/zinc/75/98/77/557759877.db2.gz FTVYTCPPWLJDCC-FUHWJXTLSA-N 0 0 438.450 2.846 50 0 IFAARN Cc1ccc(C2=NO[C@@H](CNC(=O)c3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)C2)cc1 ZINC000225744152 557772019 /nfs/dbraw/zinc/77/20/19/557772019.db2.gz HUDDPHCGUJMMKR-RTBURBONSA-N 0 0 447.491 2.693 50 0 IFAARN COc1cc(Br)c(CC(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc1OC ZINC000018522227 557828956 /nfs/dbraw/zinc/82/89/56/557828956.db2.gz TWFWXFAUXOJOEX-SNVBAGLBSA-N 0 0 427.251 2.876 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)ccc21 ZINC000025009629 557831830 /nfs/dbraw/zinc/83/18/30/557831830.db2.gz IPVXUKHCOVZQKG-UHFFFAOYSA-N 0 0 437.525 2.665 50 0 IFAARN COc1cc2[nH]c(=O)n(CCCCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(=O)c2cc1OC ZINC000085942231 557835585 /nfs/dbraw/zinc/83/55/85/557835585.db2.gz HTDYUCMOKMOXQE-ZMSDIMECSA-N 0 0 431.533 2.818 50 0 IFAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@H]12 ZINC000239339086 557844079 /nfs/dbraw/zinc/84/40/79/557844079.db2.gz LRHOREJRTCMJCN-HSGJQSDISA-N 0 0 447.443 2.619 50 0 IFAARN CCOc1cc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)ccc1O ZINC000239433063 557844692 /nfs/dbraw/zinc/84/46/92/557844692.db2.gz XECKZJRXQSHIAF-URFJDIBFSA-N 0 0 436.501 2.734 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)Cc3cc4ccccc4o3)C2)cc1 ZINC000240555633 557845538 /nfs/dbraw/zinc/84/55/38/557845538.db2.gz GWTLGNLVRJUTRT-UHFFFAOYSA-N 0 0 429.498 2.656 50 0 IFAARN CCOCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC000241809983 557847109 /nfs/dbraw/zinc/84/71/09/557847109.db2.gz SCEAUNDPRMGEHX-QGZVFWFLSA-N 0 0 431.566 2.601 50 0 IFAARN CNS(=O)(=O)CCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1Cl ZINC000242339259 557847764 /nfs/dbraw/zinc/84/77/64/557847764.db2.gz ZGHDRHMYPWPQDD-QGZVFWFLSA-N 0 0 431.986 2.873 50 0 IFAARN COc1ccc([C@H]2NC3=NCN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)cc1OC ZINC000245229404 557849888 /nfs/dbraw/zinc/84/98/88/557849888.db2.gz XBEFSQNRRQJJJP-VGSWGCGISA-N 0 0 448.527 2.776 50 0 IFAARN C[C@H](OC(=O)c1ccc(F)cc1N)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000018750446 557855777 /nfs/dbraw/zinc/85/57/77/557855777.db2.gz FBSGEFOXHKMQPN-VIFPVBQESA-N 0 0 425.338 2.957 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000002225511 562926413 /nfs/dbraw/zinc/92/64/13/562926413.db2.gz UJHXXLFVTXHFBH-NVXWUHKLSA-N 0 0 430.888 2.857 50 0 IFAARN Cc1cc(C)n(-c2nc3sc4c(c3c3nnc(SCC(N)=O)n32)CC(C)(C)OC4)n1 ZINC000002224109 562926417 /nfs/dbraw/zinc/92/64/17/562926417.db2.gz CRTYYCZXNGHPHU-UHFFFAOYSA-N 0 0 443.558 2.570 50 0 IFAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(C(=O)OC)cc3)N2C1=O ZINC000002247694 562926618 /nfs/dbraw/zinc/92/66/18/562926618.db2.gz GJVSZPHCDCMKTK-NVXWUHKLSA-N 0 0 432.498 2.702 50 0 IFAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O ZINC000002625232 562928669 /nfs/dbraw/zinc/92/86/69/562928669.db2.gz YQPAJSRACGQPAL-FQEVSTJZSA-N 0 0 445.269 2.870 50 0 IFAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3cc(C)on3)c2)cc1 ZINC000002635519 562928936 /nfs/dbraw/zinc/92/89/36/562928936.db2.gz PTJLNRUDBWMPDY-UHFFFAOYSA-N 0 0 445.453 2.588 50 0 IFAARN COc1ccc(CNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000002655960 562929472 /nfs/dbraw/zinc/92/94/72/562929472.db2.gz NRAWEDFFNPLFLY-UHFFFAOYSA-N 0 0 429.476 2.807 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1C ZINC000002664293 562929671 /nfs/dbraw/zinc/92/96/71/562929671.db2.gz BBKDUOXVWXVELB-KRWDZBQOSA-N 0 0 426.469 2.583 50 0 IFAARN O=C(CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1)NCc1ccco1 ZINC000002925628 562930622 /nfs/dbraw/zinc/93/06/22/562930622.db2.gz DQXGIIWYNDXDBA-UHFFFAOYSA-N 0 0 440.506 2.843 50 0 IFAARN COCCNC(=O)c1sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c2c1C ZINC000002925794 562930650 /nfs/dbraw/zinc/93/06/50/562930650.db2.gz VYTQUECIKDKBLM-UHFFFAOYSA-N 0 0 448.932 2.743 50 0 IFAARN COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc21 ZINC000003191091 562932631 /nfs/dbraw/zinc/93/26/31/562932631.db2.gz FZNKDVDFHGPRQZ-UHFFFAOYSA-N 0 0 433.511 2.578 50 0 IFAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)NCc1cccs1 ZINC000003247242 562933287 /nfs/dbraw/zinc/93/32/87/562933287.db2.gz AYLZUGOIWKGONM-UHFFFAOYSA-N 0 0 442.946 2.659 50 0 IFAARN Cc1c(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C ZINC000003253653 562933391 /nfs/dbraw/zinc/93/33/91/562933391.db2.gz OSELJWQZVGMSAN-TYZQSYOASA-N 0 0 449.463 2.797 50 0 IFAARN CCN(CC)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000003258151 562933415 /nfs/dbraw/zinc/93/34/15/562933415.db2.gz TVVVFLZOIJFLQZ-UHFFFAOYSA-N 0 0 433.530 2.717 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1nn(CC)c(=O)c2ccccc21 ZINC000003283864 562933660 /nfs/dbraw/zinc/93/36/60/562933660.db2.gz HGPIQJHUWGWUCO-UHFFFAOYSA-N 0 0 425.441 2.578 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2cccc3ccccc32)c1 ZINC000003386021 562935135 /nfs/dbraw/zinc/93/51/35/562935135.db2.gz HSJDMXQBYDTITQ-UHFFFAOYSA-N 0 0 425.510 2.801 50 0 IFAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003404739 562935275 /nfs/dbraw/zinc/93/52/75/562935275.db2.gz XKUPUMZOZVHMSL-UHFFFAOYSA-N 0 0 430.468 2.726 50 0 IFAARN Cc1sc2nc(C)nc(SCC(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)c2c1C ZINC000003429165 562935697 /nfs/dbraw/zinc/93/56/97/562935697.db2.gz PLSOPAWTQWKQOO-UHFFFAOYSA-N 0 0 429.527 2.545 50 0 IFAARN CC(=O)c1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000003428028 562935727 /nfs/dbraw/zinc/93/57/27/562935727.db2.gz VCVAUKNCINQFNY-UHFFFAOYSA-N 0 0 436.555 2.643 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O ZINC000003960127 562940132 /nfs/dbraw/zinc/94/01/32/562940132.db2.gz QACLMRDCNPWGNR-DNVCBOLYSA-N 0 0 431.558 2.632 50 0 IFAARN COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000004001754 562940557 /nfs/dbraw/zinc/94/05/57/562940557.db2.gz KCYGLJHIQOKFQT-OAHLLOKOSA-N 0 0 434.514 2.756 50 0 IFAARN NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1 ZINC000004030350 562940779 /nfs/dbraw/zinc/94/07/79/562940779.db2.gz AEFAEYKBOOODTA-UHFFFAOYSA-N 0 0 431.930 2.923 50 0 IFAARN O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000004099235 562941723 /nfs/dbraw/zinc/94/17/23/562941723.db2.gz TWJLSCKAWHOBAV-SFHVURJKSA-N 0 0 440.525 2.817 50 0 aggregator IFAARN CCc1nn([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc3occc3n21 ZINC000004099711 562941795 /nfs/dbraw/zinc/94/17/95/562941795.db2.gz AAHQEVWTRLMJPC-AWEZNQCLSA-N 0 0 438.484 2.742 50 0 IFAARN COc1ccc(N(C(=O)c2cccc(OC)c2OC)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000004101751 562941940 /nfs/dbraw/zinc/94/19/40/562941940.db2.gz ACYCKOAVPTZTAZ-AWEZNQCLSA-N 0 0 433.482 2.679 50 0 IFAARN CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2CC)S[C@H](C)C3)s1 ZINC000004115486 562942135 /nfs/dbraw/zinc/94/21/35/562942135.db2.gz GPRJQOQOYLDMRI-MRVPVSSYSA-N 0 0 429.618 2.994 50 0 IFAARN Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000004115513 562942211 /nfs/dbraw/zinc/94/22/11/562942211.db2.gz RWRQWTZRYNGRPB-UHFFFAOYSA-N 0 0 444.582 2.759 50 0 aggregator IFAARN Cc1cccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)c1 ZINC000004119268 562942213 /nfs/dbraw/zinc/94/22/13/562942213.db2.gz GKLXFONPVGNEDW-KRWDZBQOSA-N 0 0 444.582 2.759 50 0 IFAARN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1 ZINC000006023525 562945912 /nfs/dbraw/zinc/94/59/12/562945912.db2.gz FHPOFRBFZXIJIL-UHFFFAOYSA-N 0 0 441.509 2.976 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C[C@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 ZINC000006073794 562946138 /nfs/dbraw/zinc/94/61/38/562946138.db2.gz YDIZVMJXLOHKNT-GOSISDBHSA-N 0 0 425.466 2.921 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1Cl ZINC000006090183 562946236 /nfs/dbraw/zinc/94/62/36/562946236.db2.gz IDFQDGVSYSENLH-UHFFFAOYSA-N 0 0 437.949 2.851 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(COC(=O)c3n[nH]c4ccccc43)nc2c1 ZINC000006498436 562946884 /nfs/dbraw/zinc/94/68/84/562946884.db2.gz IDBUYBIWHUUWRC-UHFFFAOYSA-N 0 0 427.486 2.827 50 0 aggregator IFAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000006577020 562947391 /nfs/dbraw/zinc/94/73/91/562947391.db2.gz MJYSTWGKSWLQEX-IBGZPJMESA-N 0 0 441.557 2.593 50 0 IFAARN COC(=O)CN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(C)cc2)C1=O ZINC000006577220 562947466 /nfs/dbraw/zinc/94/74/66/562947466.db2.gz TXRCCSOLOJKLNZ-FQEVSTJZSA-N 0 0 432.270 2.738 50 0 IFAARN COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000006577494 562947671 /nfs/dbraw/zinc/94/76/71/562947671.db2.gz GSECPALZUCMNEI-UHFFFAOYSA-N 0 0 439.537 2.961 50 0 IFAARN CCCCN(C)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000006577616 562947730 /nfs/dbraw/zinc/94/77/30/562947730.db2.gz JHUZOTLRKSSSLI-OAQYLSRUSA-N 0 0 443.569 2.719 50 0 aggregator IFAARN COc1ccc(CCNC(=O)[C@@]2(C)CCC(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000006577690 562947812 /nfs/dbraw/zinc/94/78/12/562947812.db2.gz VXHQPDMGPGGLBV-XMMPIXPASA-N 0 0 440.496 2.673 50 0 aggregator IFAARN Cc1c(O[C@H](C)C(=O)NCCCN2CCCC2=O)ccc2c3c(c(=O)oc12)CCCC3 ZINC000006658884 562948105 /nfs/dbraw/zinc/94/81/05/562948105.db2.gz POPVKXDJWZUBJI-MRXNPFEDSA-N 0 0 426.513 2.876 50 0 IFAARN CN(C)S(=O)(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 ZINC000008015677 562948775 /nfs/dbraw/zinc/94/87/75/562948775.db2.gz LWEBIUKLNWRIHH-APWZRJJASA-N 0 0 436.505 2.845 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000008150637 562949072 /nfs/dbraw/zinc/94/90/72/562949072.db2.gz KFRINIORTPRRTI-HXUWFJFHSA-N 0 0 425.554 2.523 50 0 IFAARN COc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc32)cc1OC ZINC000008587996 562950543 /nfs/dbraw/zinc/95/05/43/562950543.db2.gz NQZINLRXASAVMR-OAQYLSRUSA-N 0 0 446.507 2.958 50 0 IFAARN CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(OC)cc1 ZINC000008590826 562951853 /nfs/dbraw/zinc/95/18/53/562951853.db2.gz IIZQYSWBIPXEKD-SFHVURJKSA-N 0 0 443.891 2.813 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc(OC)cc3)cc2C[C@H]1C ZINC000008595252 562953395 /nfs/dbraw/zinc/95/33/95/562953395.db2.gz OQXGPKDEDRDEJC-MRXNPFEDSA-N 0 0 444.553 2.863 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000008596838 562953905 /nfs/dbraw/zinc/95/39/05/562953905.db2.gz OAGRZJYODFLWGR-UHFFFAOYSA-N 0 0 447.488 2.951 50 0 IFAARN O=C(NCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1 ZINC000008598660 562954387 /nfs/dbraw/zinc/95/43/87/562954387.db2.gz RANMZBXDRKSPAQ-IBGZPJMESA-N 0 0 441.553 2.679 50 0 IFAARN O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008601633 562955535 /nfs/dbraw/zinc/95/55/35/562955535.db2.gz OWFUCKRKNULGDJ-KRWDZBQOSA-N 0 0 447.944 2.660 50 0 IFAARN O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008601632 562955544 /nfs/dbraw/zinc/95/55/44/562955544.db2.gz OWFUCKRKNULGDJ-QGZVFWFLSA-N 0 0 447.944 2.660 50 0 IFAARN COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000008601911 562955716 /nfs/dbraw/zinc/95/57/16/562955716.db2.gz WCTQNYBCSWKUST-INIZCTEOSA-N 0 0 445.515 2.982 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2cccs2)cc1F ZINC000008601913 562955743 /nfs/dbraw/zinc/95/57/43/562955743.db2.gz VPPDQUDMUKANFU-INIZCTEOSA-N 0 0 445.515 2.982 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)c2cnc3sc(N4CCCCC4)nn3c2=O)cc1 ZINC000008602969 562955891 /nfs/dbraw/zinc/95/58/91/562955891.db2.gz YBRJOUAEJKSZLU-UHFFFAOYSA-N 0 0 427.530 2.859 50 0 IFAARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1 ZINC000008605445 562956728 /nfs/dbraw/zinc/95/67/28/562956728.db2.gz ATZWBMWIWSXJLH-UHFFFAOYSA-N 0 0 440.525 2.799 50 0 IFAARN O=C(CNC(=O)c1ccc(F)cc1)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000008605468 562956730 /nfs/dbraw/zinc/95/67/30/562956730.db2.gz KJPOTPPOANOCDB-UHFFFAOYSA-N 0 0 444.488 2.811 50 0 IFAARN O=C(CNC(=O)c1ccccc1)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000008605467 562956739 /nfs/dbraw/zinc/95/67/39/562956739.db2.gz UVZONPSPEPDCIY-UHFFFAOYSA-N 0 0 426.498 2.672 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)c1 ZINC000008609872 562957992 /nfs/dbraw/zinc/95/79/92/562957992.db2.gz PQLHAFQFUISRKC-HNNXBMFYSA-N 0 0 433.530 2.875 50 0 IFAARN Cc1ccc(-n2nc(C(=O)Nc3ccc(Br)cc3C)c(=O)n(C)c2=O)cc1 ZINC000008610857 562958312 /nfs/dbraw/zinc/95/83/12/562958312.db2.gz BOXLXBNEARLSGN-UHFFFAOYSA-N 0 0 429.274 2.563 50 0 IFAARN COc1ccc(-c2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n[nH]2)cc1 ZINC000008611759 562958698 /nfs/dbraw/zinc/95/86/98/562958698.db2.gz ONGUZWCPNHELNA-UHFFFAOYSA-N 0 0 428.514 2.949 50 0 IFAARN COc1cc(CN(C(=O)c2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000008612557 562959264 /nfs/dbraw/zinc/95/92/64/562959264.db2.gz HZPDXRBYPMDHEY-HNNXBMFYSA-N 0 0 437.489 2.681 50 0 IFAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000008634894 562960080 /nfs/dbraw/zinc/96/00/80/562960080.db2.gz ZPKSKZJSYGAGGV-IBGZPJMESA-N 0 0 431.242 2.828 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)NCCc2csc3nc(-c4ccccc4)nn23)c1 ZINC000008627020 562960089 /nfs/dbraw/zinc/96/00/89/562960089.db2.gz LZKMNIBERZRTAI-UHFFFAOYSA-N 0 0 444.538 2.996 50 0 IFAARN COc1ccc(OC)c2c1s/c(=N\C(=O)c1cccc(N3C(=O)CCC3=O)c1)n2C ZINC000008642692 562960131 /nfs/dbraw/zinc/96/01/31/562960131.db2.gz GDEOVZOGQUWNTL-DQRAZIAOSA-N 0 0 425.466 2.652 50 0 IFAARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000008670788 562960792 /nfs/dbraw/zinc/96/07/92/562960792.db2.gz FJCGBIVYBXEJJO-KRWDZBQOSA-N 0 0 429.567 2.674 50 0 IFAARN Cc1cccc(Nc2nnc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)s2)c1C ZINC000008684851 562962272 /nfs/dbraw/zinc/96/22/72/562962272.db2.gz AWLHBDGGBFPFFO-ZDUSSCGKSA-N 0 0 426.589 2.636 50 0 IFAARN COc1cc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc(OC)c1OC ZINC000008693818 562963701 /nfs/dbraw/zinc/96/37/01/562963701.db2.gz RCKSQQAXMMMRHX-UHFFFAOYSA-N 0 0 436.530 2.842 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCc1cccs1)cn2C ZINC000008828481 562964555 /nfs/dbraw/zinc/96/45/55/562964555.db2.gz WQCNDKSQERBOAI-UHFFFAOYSA-N 0 0 433.555 2.561 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NC1CCCCCC1 ZINC000008828857 562964641 /nfs/dbraw/zinc/96/46/41/562964641.db2.gz PLMWOODVIGVQAT-UHFFFAOYSA-N 0 0 434.514 2.754 50 0 IFAARN CCCc1cc(=O)oc2cc(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)ccc12 ZINC000008877261 562965565 /nfs/dbraw/zinc/96/55/65/562965565.db2.gz XRWSZKKTRVKCJW-AEFFLSMTSA-N 0 0 434.492 2.932 50 0 IFAARN Cc1cccc(N2C[C@@H](C(=O)Nc3nnc(SCCC4OCCO4)s3)CC2=O)c1 ZINC000008905434 562965937 /nfs/dbraw/zinc/96/59/37/562965937.db2.gz QVSIXXWQMPYBRZ-ZDUSSCGKSA-N 0 0 434.543 2.693 50 0 IFAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000008912394 562965965 /nfs/dbraw/zinc/96/59/65/562965965.db2.gz NXXZBCDIJZJWGE-KBPBESRZSA-N 0 0 444.600 2.692 50 0 IFAARN COC(=O)c1cc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc(C(=O)OC)c1 ZINC000009120507 562967384 /nfs/dbraw/zinc/96/73/84/562967384.db2.gz HPFAPOKMFZXDPC-UHFFFAOYSA-N 0 0 438.436 2.856 50 0 IFAARN CCCCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000009128517 562967581 /nfs/dbraw/zinc/96/75/81/562967581.db2.gz HDQGARZJKNWUJF-UHFFFAOYSA-N 0 0 438.532 2.778 50 0 IFAARN COCCn1cnc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2Cc1ccccc1 ZINC000009128838 562967690 /nfs/dbraw/zinc/96/76/90/562967690.db2.gz WFHNOQDPLGZJQF-UHFFFAOYSA-N 0 0 442.878 2.895 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1cc(CN2C(=O)c3cccnc3C2=O)ccc1OC ZINC000009226119 562968290 /nfs/dbraw/zinc/96/82/90/562968290.db2.gz PVDSXJBDADGBTJ-UHFFFAOYSA-N 0 0 431.514 2.697 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)cc1 ZINC000009263749 562968548 /nfs/dbraw/zinc/96/85/48/562968548.db2.gz NQECPDKAQSYCHA-YOEHRIQHSA-N 0 0 431.562 2.792 50 0 IFAARN CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000009265812 562968689 /nfs/dbraw/zinc/96/86/89/562968689.db2.gz JSWBABQMVXMTCB-UHFFFAOYSA-N 0 0 446.554 2.628 50 0 IFAARN COc1ccccc1CCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009276323 562968732 /nfs/dbraw/zinc/96/87/32/562968732.db2.gz OUVDELSCHURSKZ-UHFFFAOYSA-N 0 0 441.553 2.793 50 0 IFAARN Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)o1 ZINC000009273809 562968759 /nfs/dbraw/zinc/96/87/59/562968759.db2.gz PICIDSBJNRYOBS-CQSZACIVSA-N 0 0 430.526 2.756 50 0 IFAARN O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000009283222 562968800 /nfs/dbraw/zinc/96/88/00/562968800.db2.gz JFCPYSRGDWCYPX-OAHLLOKOSA-N 0 0 436.917 2.694 50 0 IFAARN COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000009396929 562969912 /nfs/dbraw/zinc/96/99/12/562969912.db2.gz WQUPILQYNYMVMH-OAHLLOKOSA-N 0 0 445.541 2.560 50 0 IFAARN COc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000009424296 562970444 /nfs/dbraw/zinc/97/04/44/562970444.db2.gz PKPRAHZIOCHMMY-IBGZPJMESA-N 0 0 447.553 2.915 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccncc4)o3)cc2)C1 ZINC000009428092 562970495 /nfs/dbraw/zinc/97/04/95/562970495.db2.gz WNUYQICYSXCZNW-AWEZNQCLSA-N 0 0 427.486 2.805 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccncc3)o2)cc1 ZINC000009428096 562970515 /nfs/dbraw/zinc/97/05/15/562970515.db2.gz OTWIUEYALLAGOV-CQSZACIVSA-N 0 0 427.486 2.947 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCC(C)CC4)C3)cc2C[C@@H]1C ZINC000009428778 562970572 /nfs/dbraw/zinc/97/05/72/562970572.db2.gz KLFUZVYRCOFPAB-PKOBYXMFSA-N 0 0 447.601 2.643 50 0 IFAARN CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)C1 ZINC000009429449 562970588 /nfs/dbraw/zinc/97/05/88/562970588.db2.gz XUVDRLNSIDTRLT-BQFCYCMXSA-N 0 0 447.601 2.690 50 0 IFAARN CC[C@@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)CC1 ZINC000009430584 562970623 /nfs/dbraw/zinc/97/06/23/562970623.db2.gz IMFJUFRISYECDQ-FDCMFXBMSA-N 0 0 449.617 2.984 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1C ZINC000009462526 562971466 /nfs/dbraw/zinc/97/14/66/562971466.db2.gz YSBQUSHBAVZNMV-HZPDHXFCSA-N 0 0 426.469 2.894 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1C ZINC000009462528 562971473 /nfs/dbraw/zinc/97/14/73/562971473.db2.gz YSBQUSHBAVZNMV-CVEARBPZSA-N 0 0 426.469 2.894 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(-n2cccc2)c1 ZINC000009469233 562971715 /nfs/dbraw/zinc/97/17/15/562971715.db2.gz NQNBIGTYBJDVBI-UHFFFAOYSA-N 0 0 441.509 2.759 50 0 IFAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnnn2C)cc1OC ZINC000009491166 562971953 /nfs/dbraw/zinc/97/19/53/562971953.db2.gz MQBTZMKOABJUCS-AWEZNQCLSA-N 0 0 444.542 2.759 50 0 IFAARN O=C(c1cnn(Cc2ccccc2)c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000009494797 562972289 /nfs/dbraw/zinc/97/22/89/562972289.db2.gz DWZNZQCTGPIPQG-LFIBNONCSA-N 0 0 436.537 2.690 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)C1CCCC1 ZINC000009507598 562972468 /nfs/dbraw/zinc/97/24/68/562972468.db2.gz IEICCILOQWXALE-UHFFFAOYSA-N 0 0 436.452 2.777 50 0 IFAARN O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)Nc1ccc2c(c1)OCO2 ZINC000009518625 562972799 /nfs/dbraw/zinc/97/27/99/562972799.db2.gz MCJMVARGGPDBFC-UHFFFAOYSA-N 0 0 448.407 2.737 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C(C)(C)C)CS(=O)(=O)C4)CC2=O)cc1C ZINC000009517996 562972803 /nfs/dbraw/zinc/97/28/03/562972803.db2.gz RHOMFDRMFMJQPH-OAHLLOKOSA-N 0 0 444.557 2.675 50 0 IFAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NC[C@H]2COc3ccccc3O2)c2ccccc21 ZINC000009518848 562972804 /nfs/dbraw/zinc/97/28/04/562972804.db2.gz BBKKZJUGRXHKAO-KRWDZBQOSA-N 0 0 449.507 2.649 50 0 IFAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc21 ZINC000009518847 562972814 /nfs/dbraw/zinc/97/28/14/562972814.db2.gz BBKKZJUGRXHKAO-QGZVFWFLSA-N 0 0 449.507 2.649 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1coc2cc(C)ccc12 ZINC000009587100 562973627 /nfs/dbraw/zinc/97/36/27/562973627.db2.gz TXEUIOMRNHFUDT-UHFFFAOYSA-N 0 0 444.509 2.952 50 0 IFAARN O=C(COc1ccc(Cl)cc1)Nc1nnc(SCC(=O)NC[C@@H]2CCCO2)s1 ZINC000009600142 562973832 /nfs/dbraw/zinc/97/38/32/562973832.db2.gz OYZVXANEEUJUFH-ZDUSSCGKSA-N 0 0 442.950 2.596 50 0 IFAARN O=C(COc1ccc(Cl)cc1)Nc1nnc(SCC(=O)NC[C@H]2CCCO2)s1 ZINC000009600143 562973844 /nfs/dbraw/zinc/97/38/44/562973844.db2.gz OYZVXANEEUJUFH-CYBMUJFWSA-N 0 0 442.950 2.596 50 0 IFAARN COc1ccc(C=CC(=O)Nc2ccc(C(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000009633136 562974523 /nfs/dbraw/zinc/97/45/23/562974523.db2.gz MCNFVSYGVYXPGZ-ONNFQVAWSA-N 0 0 444.509 2.571 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1C ZINC000009643424 562974733 /nfs/dbraw/zinc/97/47/33/562974733.db2.gz HPIOKCSPPMJYHB-WMZOPIPTSA-N 0 0 440.496 2.624 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCCCC3)o2)cc1OC ZINC000009673973 562975326 /nfs/dbraw/zinc/97/53/26/562975326.db2.gz IJMJAXQVPDJOLT-UHFFFAOYSA-N 0 0 434.518 2.512 50 0 IFAARN COc1ccc(OC)c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)c1 ZINC000009673947 562975349 /nfs/dbraw/zinc/97/53/49/562975349.db2.gz UZNNGTCUOMWSQF-UHFFFAOYSA-N 0 0 446.460 2.887 50 0 IFAARN COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000009677548 562975388 /nfs/dbraw/zinc/97/53/88/562975388.db2.gz FPQOISNILYYGJN-UHFFFAOYSA-N 0 0 446.554 2.764 50 0 IFAARN Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C(C)C)c1 ZINC000009715392 562975988 /nfs/dbraw/zinc/97/59/88/562975988.db2.gz PWMGYBSFVXCCIS-FQEVSTJZSA-N 0 0 431.558 2.947 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 ZINC000009789609 562976927 /nfs/dbraw/zinc/97/69/27/562976927.db2.gz NZAHSRUYTUXLPR-UHFFFAOYSA-N 0 0 441.509 2.777 50 0 IFAARN COc1cccc(C(=O)N(Cc2ccco2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000009797230 562977033 /nfs/dbraw/zinc/97/70/33/562977033.db2.gz ZWVBMHFOXLOZNL-UHFFFAOYSA-N 0 0 446.463 2.616 50 0 IFAARN O=C(CSc1nnc2ccc(-c3ccc(Br)cc3)nn21)NC[C@@H]1CCCO1 ZINC000009829121 562977278 /nfs/dbraw/zinc/97/72/78/562977278.db2.gz CNFRIKFASXCWDO-AWEZNQCLSA-N 0 0 448.346 2.941 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CNS(=O)(=O)c3ccccc3)cc2)C1 ZINC000009833471 562977311 /nfs/dbraw/zinc/97/73/11/562977311.db2.gz SPSPXBPSIGQTNU-IBGZPJMESA-N 0 0 430.526 2.580 50 0 IFAARN CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 ZINC000009867386 562977652 /nfs/dbraw/zinc/97/76/52/562977652.db2.gz QXJWVNOYHBIIGV-UUOWRZLLSA-N 0 0 437.496 2.533 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000009870478 562977719 /nfs/dbraw/zinc/97/77/19/562977719.db2.gz BAVSZVQNAVHTGS-MRXNPFEDSA-N 0 0 442.965 2.930 50 0 IFAARN COc1ccc(C(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(OC)c1 ZINC000009985616 562978213 /nfs/dbraw/zinc/97/82/13/562978213.db2.gz MYIBYBGABOEKKY-QKFKETGDSA-N 0 0 446.500 2.567 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCCCn1cccn1 ZINC000011814767 562979386 /nfs/dbraw/zinc/97/93/86/562979386.db2.gz AVVATOINNAYQNT-QHCPKHFHSA-N 0 0 447.539 2.572 50 0 IFAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000012882847 562983366 /nfs/dbraw/zinc/98/33/66/562983366.db2.gz FGWIRGNEJNSCEJ-KBXCAEBGSA-N 0 0 429.464 2.946 50 0 IFAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000012882831 562983399 /nfs/dbraw/zinc/98/33/99/562983399.db2.gz FGWIRGNEJNSCEJ-KSSFIOAISA-N 0 0 429.464 2.946 50 0 IFAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000012911988 562983523 /nfs/dbraw/zinc/98/35/23/562983523.db2.gz WRMRDWWKHNJOSZ-UHFFFAOYSA-N 0 0 436.281 2.805 50 0 IFAARN O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000012988205 562983839 /nfs/dbraw/zinc/98/38/39/562983839.db2.gz RSKKOPXUKBXMPR-UHFFFAOYSA-N 0 0 439.537 2.716 50 0 IFAARN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCN1C(=O)c2ccccc2C1=O ZINC000013004889 562983926 /nfs/dbraw/zinc/98/39/26/562983926.db2.gz BJEITZOGNLALLM-SFHVURJKSA-N 0 0 426.494 2.643 50 0 IFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000013018458 562984217 /nfs/dbraw/zinc/98/42/17/562984217.db2.gz MXRPEOXKQOYRHF-KRWDZBQOSA-N 0 0 429.467 2.843 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000015940514 563019315 /nfs/dbraw/zinc/01/93/15/563019315.db2.gz RMYCWEMAERZQCK-NSHDSACASA-N 0 0 435.527 2.631 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)C1CCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000015951883 563020332 /nfs/dbraw/zinc/02/03/32/563020332.db2.gz NOPYKALPZZQAHH-UHFFFAOYSA-N 0 0 427.324 2.520 50 0 IFAARN CCc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)no1 ZINC000019147157 563022496 /nfs/dbraw/zinc/02/24/96/563022496.db2.gz BWFZEOUTQMEPDQ-GOSISDBHSA-N 0 0 425.533 2.613 50 0 IFAARN O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000025436406 563027532 /nfs/dbraw/zinc/02/75/32/563027532.db2.gz ZXVNTZUOMXSCTB-UHFFFAOYSA-N 0 0 439.537 2.716 50 0 IFAARN CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000036227615 563092237 /nfs/dbraw/zinc/09/22/37/563092237.db2.gz BAWRCDINGFRQGO-UHFFFAOYSA-N 0 0 437.949 2.684 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1C ZINC000036383961 563094295 /nfs/dbraw/zinc/09/42/95/563094295.db2.gz VQUOOXXLEYOHMI-HSZRJFAPSA-N 0 0 441.597 2.804 50 0 IFAARN CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(OC)c(OC)c1)CCO2 ZINC000055042536 563142303 /nfs/dbraw/zinc/14/23/03/563142303.db2.gz KLJLDYBMIDTKMP-OAQYLSRUSA-N 0 0 439.556 2.809 50 0 IFAARN CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Br)s2)c2ccccc2O1 ZINC000018940855 568627194 /nfs/dbraw/zinc/62/71/94/568627194.db2.gz HGPCXWSIMUPCKK-CYBMUJFWSA-N 0 0 445.360 2.993 50 0 IFAARN O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000018970214 568629788 /nfs/dbraw/zinc/62/97/88/568629788.db2.gz DFTYCDGIVFLCED-HXUWFJFHSA-N 0 0 433.489 2.945 50 0 IFAARN COc1ccc(NC2=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)cc1Cl ZINC000015019346 568630170 /nfs/dbraw/zinc/63/01/70/568630170.db2.gz JAVPIAZJFBUOQE-UHFFFAOYSA-N 0 0 434.901 2.775 50 0 IFAARN COC(=O)Cn1c(CCS(=O)(=O)c2ccc(Br)cc2)nc2ccccc21 ZINC000000896624 568634569 /nfs/dbraw/zinc/63/45/69/568634569.db2.gz WKMFLWFIMHQDCI-UHFFFAOYSA-N 0 0 437.315 2.988 50 0 IFAARN CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000015073272 568635553 /nfs/dbraw/zinc/63/55/53/568635553.db2.gz FZJGVPFSYNXQTA-LJQANCHMSA-N 0 0 444.963 2.920 50 0 IFAARN COc1ncccc1CNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000025086353 568635601 /nfs/dbraw/zinc/63/56/01/568635601.db2.gz DTRAJXOQFDEZFR-UHFFFAOYSA-N 0 0 431.539 2.603 50 0 IFAARN O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1cccc2nsnc21 ZINC000019078344 568638097 /nfs/dbraw/zinc/63/80/97/568638097.db2.gz XREROSZPNCULEK-UHFFFAOYSA-N 0 0 439.280 2.910 50 0 IFAARN O=S(=O)(c1ccccc1F)N1CCN(c2nc3nccc(-c4cccs4)n3n2)CC1 ZINC000025146686 568641143 /nfs/dbraw/zinc/64/11/43/568641143.db2.gz SFQCKFBZSZQORE-UHFFFAOYSA-N 0 0 444.517 2.503 50 0 IFAARN CC(=O)O[C@H]1CC[C@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@]1(C)CC[C@@H]34 ZINC000254702319 568644902 /nfs/dbraw/zinc/64/49/02/568644902.db2.gz IRJWPUOTLSQRFN-AMNBYXQDSA-N 0 0 444.524 2.835 50 0 IFAARN NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000025173941 568646634 /nfs/dbraw/zinc/64/66/34/568646634.db2.gz IFMMMJQCEYZCEC-UHFFFAOYSA-N 0 0 449.532 2.994 50 0 IFAARN COc1ccc(OCCNC(=O)C[C@H](NC(N)=O)c2cccc(Br)c2)cc1 ZINC000025263364 568649868 /nfs/dbraw/zinc/64/98/68/568649868.db2.gz USMBRQSDWBOFMR-KRWDZBQOSA-N 0 0 436.306 2.752 50 0 IFAARN O=C1Nc2ccccc2/C1=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000000992621 568650287 /nfs/dbraw/zinc/65/02/87/568650287.db2.gz DHODWVJCTVYWEF-NNWMPZTLSA-N 0 0 436.496 2.688 50 0 IFAARN COc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1OC ZINC000025338603 568654000 /nfs/dbraw/zinc/65/40/00/568654000.db2.gz UTOYDSZHDCZNTD-UHFFFAOYSA-N 0 0 437.540 2.898 50 0 IFAARN Cc1[nH]c2ccc(C)cc2c1CCNS(=O)(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000001074333 568656551 /nfs/dbraw/zinc/65/65/51/568656551.db2.gz SDPLPRRZFMFTQF-UHFFFAOYSA-N 0 0 447.582 2.628 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000025413171 568656757 /nfs/dbraw/zinc/65/67/57/568656757.db2.gz AIQCLBAMLXOMSL-YOEHRIQHSA-N 0 0 448.416 2.995 50 0 IFAARN COC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(N)n2CCc2ccccc2)cc1 ZINC000001076729 568656796 /nfs/dbraw/zinc/65/67/96/568656796.db2.gz UOBUSCCLLYUFCX-UHFFFAOYSA-N 0 0 438.509 2.586 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)s3)CC2=O)cc1 ZINC000025444774 568658600 /nfs/dbraw/zinc/65/86/00/568658600.db2.gz PCGUBBMJOBNEKG-INIZCTEOSA-N 0 0 447.582 2.510 50 0 IFAARN CC(=O)O[C@@H]1O[C@]23CC[C@@]4(O)C[C@@H](O)CC[C@]14[C@@H]2CC[C@]1(C)[C@H](C2=CC(=O)OC2)CC[C@@H]13 ZINC000257349862 568731331 /nfs/dbraw/zinc/73/13/31/568731331.db2.gz RXXZRNNOAJTUSW-NDJGQYKFSA-N 0 0 446.540 2.626 50 0 IFAARN CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3C(=O)C[C@]21C)OCCO5 ZINC000257359276 568731564 /nfs/dbraw/zinc/73/15/64/568731564.db2.gz ZIQSUIGZEYCTRR-ROSOTPNCSA-N 0 0 446.540 2.735 50 0 IFAARN O=CN1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000261490831 568734154 /nfs/dbraw/zinc/73/41/54/568734154.db2.gz HBFJHTLDPXMBOZ-UHFFFAOYSA-N 0 0 449.530 2.677 50 0 IFAARN CCOCCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000063345708 568739203 /nfs/dbraw/zinc/73/92/03/568739203.db2.gz LNBMKXDQBZXNLL-SFHVURJKSA-N 0 0 448.589 2.988 50 0 IFAARN COc1ccccc1CCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000063376221 568739475 /nfs/dbraw/zinc/73/94/75/568739475.db2.gz MHYFMOLJWVSSQA-VXKWHMMOSA-N 0 0 442.581 2.876 50 0 IFAARN COc1ccc(CN2CC(=O)N(c3ccc(C(C)C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000063389527 568739728 /nfs/dbraw/zinc/73/97/28/568739728.db2.gz KFAIVIJYKNHWBC-VXKWHMMOSA-N 0 0 428.554 2.833 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ncccc3O)cc2)cc1 ZINC000006023400 568740245 /nfs/dbraw/zinc/74/02/45/568740245.db2.gz IXZRDQANDJMFMY-UHFFFAOYSA-N 0 0 427.482 2.938 50 0 IFAARN CSc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)COc2ccccc2)CC1 ZINC000043941755 568743907 /nfs/dbraw/zinc/74/39/07/568743907.db2.gz IJMYLNVWIPKDGN-UHFFFAOYSA-N 0 0 441.553 2.781 50 0 IFAARN Cc1nnsc1C(=O)N1CCC(CNS(=O)(=O)c2cccc(Cl)c2C)CC1 ZINC000043958211 568744397 /nfs/dbraw/zinc/74/43/97/568744397.db2.gz DDBQQLREWQTCSH-UHFFFAOYSA-N 0 0 428.967 2.639 50 0 IFAARN O=C(CCNC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000003352955 568747010 /nfs/dbraw/zinc/74/70/10/568747010.db2.gz KXDHCVHHXBNPNW-UHFFFAOYSA-N 0 0 427.482 2.517 50 0 IFAARN COc1cccc(Cn2nnc3c2ncn(Cc2nc(-c4ccc(Cl)cc4)no2)c3=O)c1 ZINC000044166553 568749284 /nfs/dbraw/zinc/74/92/84/568749284.db2.gz VRLNZNYKAZWSSN-UHFFFAOYSA-N 0 0 449.858 2.797 50 0 IFAARN O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cc(=O)c2ccccc2o1 ZINC000044193455 568749744 /nfs/dbraw/zinc/74/97/44/568749744.db2.gz ZAKGARMTCPFQDU-UHFFFAOYSA-N 0 0 445.410 2.846 50 0 IFAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000003464085 568749777 /nfs/dbraw/zinc/74/97/77/568749777.db2.gz RWBTWOIHEYQZDF-OAQYLSRUSA-N 0 0 429.860 2.907 50 0 IFAARN Cc1cccc(C)c1NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000003525763 568750500 /nfs/dbraw/zinc/75/05/00/568750500.db2.gz HYDSYLWXOJALOV-UHFFFAOYSA-N 0 0 436.555 2.948 50 0 IFAARN COc1ccc(C(=O)CCC(=O)NC[C@@H]2CCC3(CCN(C(=O)C4CC4)CC3)O2)cc1 ZINC000299768466 568756408 /nfs/dbraw/zinc/75/64/08/568756408.db2.gz VKVVLYAIFRITDK-FQEVSTJZSA-N 0 0 428.529 2.725 50 0 IFAARN CN(C[C@H]1CCCCO1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299766778 568756437 /nfs/dbraw/zinc/75/64/37/568756437.db2.gz HEYBRJJMVCSUPM-PXDATVDWSA-N 0 0 435.524 2.696 50 0 IFAARN CC(C)CC[C@@]1(C2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)NC(=O)NC1=O ZINC000299767018 568756470 /nfs/dbraw/zinc/75/64/70/568756470.db2.gz AHWZCFZFKMIYOX-QHCPKHFHSA-N 0 0 425.485 2.660 50 0 IFAARN O=C(NCCCO)C1CCN(c2cccc3c2C(=O)N(CC2CCCCC2)C3=O)CC1 ZINC000299771274 568756647 /nfs/dbraw/zinc/75/66/47/568756647.db2.gz XRXVCMTVNFTEDR-UHFFFAOYSA-N 0 0 427.545 2.578 50 0 IFAARN O=C(C[C@@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)N1CCc2n[nH]cc2C1 ZINC000299771236 568756653 /nfs/dbraw/zinc/75/66/53/568756653.db2.gz URRFXULIULBWRT-QHCPKHFHSA-N 0 0 434.521 2.643 50 0 IFAARN COc1ccccc1[C@]1(CC(=O)N2CCC[C@H](OC)C2)CC(=O)N(C2CCCC2)C1=O ZINC000299774872 568756733 /nfs/dbraw/zinc/75/67/33/568756733.db2.gz JJQNKLJWJFZUPX-UUOWRZLLSA-N 0 0 428.529 2.662 50 0 IFAARN COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccnc3)C[C@@H]2CCC(=O)[O-])CC1 ZINC000299772643 568756758 /nfs/dbraw/zinc/75/67/58/568756758.db2.gz ASYCUXQGWVNKLU-FCHUYYIVSA-N 0 0 438.572 2.968 50 0 IFAARN COc1ccccc1[C@@]1(CC(=O)N2CCC[C@@H](OC)C2)CC(=O)N(C2CCCC2)C1=O ZINC000299774855 568756834 /nfs/dbraw/zinc/75/68/34/568756834.db2.gz JJQNKLJWJFZUPX-HOYKHHGWSA-N 0 0 428.529 2.662 50 0 IFAARN Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)[C@H]2CC(=O)OC24CCCCC4)CC3)n1 ZINC000299776257 568756962 /nfs/dbraw/zinc/75/69/62/568756962.db2.gz MDOZHIMOVUIPBW-WOJBJXKFSA-N 0 0 439.556 2.901 50 0 IFAARN CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2sc3ncnc(NCCOC)c3c2C)C1 ZINC000299776686 568757025 /nfs/dbraw/zinc/75/70/25/568757025.db2.gz KLIJFPZTAJAOJF-HNNXBMFYSA-N 0 0 433.578 2.779 50 0 IFAARN O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NC1Cc3ccccc3C1)C2)c1ccncc1 ZINC000299779350 568757033 /nfs/dbraw/zinc/75/70/33/568757033.db2.gz NJBHRZCQLBZJQI-INIZCTEOSA-N 0 0 432.505 2.819 50 0 IFAARN O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCCc1cccs1)C2)c1cccnc1 ZINC000299787699 568757494 /nfs/dbraw/zinc/75/74/94/568757494.db2.gz ZSZHQGVEYZOONT-ZDUSSCGKSA-N 0 0 426.523 2.956 50 0 IFAARN Cc1c(C)[n+]([O-])c([C@@H](c2ccc(Br)cc2)C2C(=O)OC(C)(C)OC2=O)n1C ZINC000263587201 568760434 /nfs/dbraw/zinc/76/04/34/568760434.db2.gz DHXJZRXJRHVJHY-AWEZNQCLSA-N 0 0 437.290 2.622 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000015391115 568761534 /nfs/dbraw/zinc/76/15/34/568761534.db2.gz VUOOKPLLQMHKSM-QGZVFWFLSA-N 0 0 446.525 2.674 50 0 IFAARN CCOc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000015389629 568761570 /nfs/dbraw/zinc/76/15/70/568761570.db2.gz CMDUXVKECQFTJH-UHFFFAOYSA-N 0 0 434.514 2.944 50 0 IFAARN COc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)cc1 ZINC000001268973 568775676 /nfs/dbraw/zinc/77/56/76/568775676.db2.gz BSWMKEPCZYIBMH-UHFFFAOYSA-N 0 0 425.876 2.746 50 0 IFAARN COc1ccc([C@@H]2Cn3nnc(CN4CCN(C(=O)CC5CCCC5)CC4)c3CO2)cc1 ZINC000263615185 568775860 /nfs/dbraw/zinc/77/58/60/568775860.db2.gz BAONWEQZBQIMJD-QHCPKHFHSA-N 0 0 439.560 2.783 50 0 IFAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5cccc(C)c5)CC4)c3CO2)cc1 ZINC000263617036 568777147 /nfs/dbraw/zinc/77/71/47/568777147.db2.gz LTVITFUKTVMPOV-JOCHJYFZSA-N 0 0 433.512 2.829 50 0 IFAARN O=C(C1CCN(c2nccn3nc4c(c23)CCCC4)CC1)N1CCN(c2ccccn2)CC1 ZINC000263617944 568777453 /nfs/dbraw/zinc/77/74/53/568777453.db2.gz QNWPGVJQEUNQBR-UHFFFAOYSA-N 0 0 445.571 2.568 50 0 IFAARN Cc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)cc1C ZINC000263618519 568777632 /nfs/dbraw/zinc/77/76/32/568777632.db2.gz UDXSRGALNNWCPE-UHFFFAOYSA-N 0 0 449.496 2.768 50 0 IFAARN Cc1cccc(Cc2noc(Cn3ccn4nc(-c5ccccc5)c(CO)c4c3=O)n2)c1 ZINC000263619240 568778053 /nfs/dbraw/zinc/77/80/53/568778053.db2.gz XPTWAUQTHXHTAE-UHFFFAOYSA-N 0 0 427.464 2.986 50 0 IFAARN COC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000032100746 568780627 /nfs/dbraw/zinc/78/06/27/568780627.db2.gz CDCKLNULYAUGES-UHFFFAOYSA-N 0 0 425.416 2.503 50 0 IFAARN COc1cccc2c([C@@H](C(=O)[O-])[NH+]3CCN(c4ncc(Br)cn4)CC3)c[nH]c21 ZINC000032103551 568781053 /nfs/dbraw/zinc/78/10/53/568781053.db2.gz PSXPABOSNXRMHV-KRWDZBQOSA-N 0 0 446.305 2.677 50 0 IFAARN CCOc1ccc(OCC)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c1 ZINC000025808032 568782136 /nfs/dbraw/zinc/78/21/36/568782136.db2.gz YICWEQAQCALBFD-HSZRJFAPSA-N 0 0 441.484 2.898 50 0 IFAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN21 ZINC000248381515 568782591 /nfs/dbraw/zinc/78/25/91/568782591.db2.gz UCASHEFULBEDKL-MKXGPGLRSA-N 0 0 438.281 2.917 50 0 IFAARN CNC(=O)NC(=O)CCCSc1nnc(-c2ccccc2Cl)n1CCCOC ZINC000083881863 568784260 /nfs/dbraw/zinc/78/42/60/568784260.db2.gz PRRBWCHEUXZSEU-UHFFFAOYSA-N 0 0 425.942 2.963 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC[C@@H](OCc3ccccn3)C2)cc1Br ZINC000083952962 568786899 /nfs/dbraw/zinc/78/68/99/568786899.db2.gz CCJQCOMPSQQCSD-CQSZACIVSA-N 0 0 427.320 2.833 50 0 IFAARN COc1ccccc1NC(=O)C1CCN(C(=O)c2c[nH]c(C)c(Br)c2=O)CC1 ZINC000084008130 568789629 /nfs/dbraw/zinc/78/96/29/568789629.db2.gz GOKSUVHNEUHPOC-UHFFFAOYSA-N 0 0 448.317 2.945 50 0 IFAARN Cc1c(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cccc1C(=O)N1CCCC1 ZINC000084041315 568790439 /nfs/dbraw/zinc/79/04/39/568790439.db2.gz KCSAKYOTIUIQHG-BJLQDIEVSA-N 0 0 430.574 2.895 50 0 IFAARN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)C2)cc1 ZINC000084155167 568795202 /nfs/dbraw/zinc/79/52/02/568795202.db2.gz UQNFOLXNWUIOPG-MOPGFXCFSA-N 0 0 438.528 2.997 50 0 IFAARN O=C(CS(=O)(=O)c1cccc(Br)c1)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000084522086 568798326 /nfs/dbraw/zinc/79/83/26/568798326.db2.gz HSLVGWKVUHRWRZ-SFHVURJKSA-N 0 0 438.343 2.853 50 0 IFAARN Cc1cc(Br)c(NC(=O)CSc2nc(N)cc(=O)[nH]2)c(Br)c1 ZINC000015587209 568798990 /nfs/dbraw/zinc/79/89/90/568798990.db2.gz IHKAJDWEGLFMGV-UHFFFAOYSA-N 0 0 448.140 2.916 50 0 IFAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCN(c2ccccc2F)CC1 ZINC000015631355 568800198 /nfs/dbraw/zinc/80/01/98/568800198.db2.gz DZINKWJFGPVUCM-UHFFFAOYSA-N 0 0 425.485 2.836 50 0 IFAARN CC(=O)N1CCC(CCNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)CC1 ZINC000084718302 568800219 /nfs/dbraw/zinc/80/02/19/568800219.db2.gz HRCIZZAUNKXHNQ-UHFFFAOYSA-N 0 0 432.524 2.823 50 0 IFAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Br)c(OC(C)=O)c(OC)c1 ZINC000001436771 568800455 /nfs/dbraw/zinc/80/04/55/568800455.db2.gz AGQRJLDAZBIEQC-AWEZNQCLSA-N 0 0 443.319 2.739 50 0 IFAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCCc1ncno1 ZINC000084810477 568801682 /nfs/dbraw/zinc/80/16/82/568801682.db2.gz ZZRCWPRSKVMYNR-UHFFFAOYSA-N 0 0 434.452 2.627 50 0 IFAARN CCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1OCC ZINC000028629671 568801760 /nfs/dbraw/zinc/80/17/60/568801760.db2.gz OTFYIWDJJXHCOI-QNGOZBTKSA-N 0 0 449.532 2.837 50 0 IFAARN CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032510700 568812095 /nfs/dbraw/zinc/81/20/95/568812095.db2.gz UVMDRICRANCMNW-GOSISDBHSA-N 0 0 431.452 2.919 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN2CCCN(Cc3ccc(C)cc3)S2(=O)=O)cc1 ZINC000015725860 568812316 /nfs/dbraw/zinc/81/23/16/568812316.db2.gz QKQVQIVFNPZPDE-UHFFFAOYSA-N 0 0 445.541 2.563 50 0 IFAARN CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000015728471 568813331 /nfs/dbraw/zinc/81/33/31/568813331.db2.gz BYYMQIJNZWXOAY-UHFFFAOYSA-N 0 0 433.555 2.943 50 0 IFAARN Cc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000015730122 568813960 /nfs/dbraw/zinc/81/39/60/568813960.db2.gz FJAAMOFTFHLQBF-RDTXWAMCSA-N 0 0 429.498 2.506 50 0 IFAARN COc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)Nc2ccccc2F)n1 ZINC000015732572 568815221 /nfs/dbraw/zinc/81/52/21/568815221.db2.gz CKSVFGJABICUFU-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN COc1ccc(NC(=O)CSc2nc(-c3cccc(F)c3)nc3cc(=O)[nH]n32)cc1 ZINC000015732564 568815275 /nfs/dbraw/zinc/81/52/75/568815275.db2.gz JPJSRNRHBAECNM-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN CC1CCN(c2ccc(NC(=O)Cn3cnc(S(=O)(=O)N4CCCC4)c3)cc2)CC1 ZINC000015734720 568816483 /nfs/dbraw/zinc/81/64/83/568816483.db2.gz HSBNHLNLQQFDSJ-UHFFFAOYSA-N 0 0 431.562 2.543 50 0 IFAARN COc1cc(-c2c3sc(=O)nc-3[nH]c3c2c(=O)[nH]n3C(C)C)c(OC)c2c1OCO2 ZINC000085412496 568818496 /nfs/dbraw/zinc/81/84/96/568818496.db2.gz AVNUQEVZVWHPHU-UHFFFAOYSA-N 0 0 430.442 2.621 50 0 IFAARN O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(Br)cc1F ZINC000015766694 568821460 /nfs/dbraw/zinc/82/14/60/568821460.db2.gz VMMGHOYXOOZLBB-UHFFFAOYSA-N 0 0 445.314 2.598 50 0 IFAARN O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)N[C@H]1CCCc2ccccc21 ZINC000015767924 568821892 /nfs/dbraw/zinc/82/18/92/568821892.db2.gz CZPKURWWDQTULE-FQEVSTJZSA-N 0 0 436.537 2.828 50 0 IFAARN O=C(CN1CCCN(Cc2ccccc2Cl)S1(=O)=O)NCc1ccc(F)cc1 ZINC000015770690 568822255 /nfs/dbraw/zinc/82/22/55/568822255.db2.gz XREJRLVXSQNSMR-UHFFFAOYSA-N 0 0 425.913 2.548 50 0 IFAARN CCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(CCOCC)sc2n1 ZINC000015772519 568822845 /nfs/dbraw/zinc/82/28/45/568822845.db2.gz JYRLEDGSMAEVJT-UHFFFAOYSA-N 0 0 444.513 2.826 50 0 IFAARN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000015773373 568823011 /nfs/dbraw/zinc/82/30/11/568823011.db2.gz JIANQBSKSFOZRP-QHCPKHFHSA-N 0 0 440.975 2.864 50 0 IFAARN Cc1ccc(CNC(=O)C[C@@H]2COc3cc(S(=O)(=O)N4CCCC4)ccc3N2)cc1 ZINC000015775082 568823232 /nfs/dbraw/zinc/82/32/32/568823232.db2.gz UEHMGMSOMUSFNU-GOSISDBHSA-N 0 0 429.542 2.659 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NC1CCCCCCC1 ZINC000015775504 568823400 /nfs/dbraw/zinc/82/34/00/568823400.db2.gz JBTVAHZBQPKSNL-JOCHJYFZSA-N 0 0 447.601 2.978 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)Nc1cccc(C)c1 ZINC000015775568 568823462 /nfs/dbraw/zinc/82/34/62/568823462.db2.gz GYAHGYLUASOOBA-OAQYLSRUSA-N 0 0 427.526 2.696 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCc1ccc(C)cc1)N2C(C)=O ZINC000015775941 568823593 /nfs/dbraw/zinc/82/35/93/568823593.db2.gz NSVVOXFQULCTKR-JOCHJYFZSA-N 0 0 443.569 2.620 50 0 IFAARN O=S(=O)(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Br)cc1 ZINC000015780545 568825295 /nfs/dbraw/zinc/82/52/95/568825295.db2.gz HJZGTWRUKAVITK-UHFFFAOYSA-N 0 0 431.333 2.790 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 ZINC000085642595 568828943 /nfs/dbraw/zinc/82/89/43/568828943.db2.gz CVNSHOZMJWWRMK-UHFFFAOYSA-N 0 0 430.574 2.949 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)N1CCc2ccccc21 ZINC000085648522 568830566 /nfs/dbraw/zinc/83/05/66/568830566.db2.gz DCYGTWYTCLZSDJ-UHFFFAOYSA-N 0 0 441.557 2.831 50 0 IFAARN COc1ccc(CC(=O)N2CCCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000085654027 568832250 /nfs/dbraw/zinc/83/22/50/568832250.db2.gz YIEWRWOUINBNLI-UHFFFAOYSA-N 0 0 432.524 2.831 50 0 IFAARN Cc1ccc(-n2nc(N3CCN(S(=O)(=O)c4cc(C)cc(C)c4)CC3)ccc2=O)cc1 ZINC000085654472 568832717 /nfs/dbraw/zinc/83/27/17/568832717.db2.gz IFZKWWXKQPTEKE-UHFFFAOYSA-N 0 0 438.553 2.669 50 0 IFAARN Cc1ccc(-n2nc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)ccc2=O)cc1 ZINC000085654443 568832721 /nfs/dbraw/zinc/83/27/21/568832721.db2.gz TYGHUNCVWPPQRN-UHFFFAOYSA-N 0 0 438.553 2.669 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1 ZINC000085654327 568833568 /nfs/dbraw/zinc/83/35/68/568833568.db2.gz XQMAJJZCNYHFMI-UHFFFAOYSA-N 0 0 438.553 2.867 50 0 IFAARN Cc1cccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC000085654408 568833814 /nfs/dbraw/zinc/83/38/14/568833814.db2.gz VIONSGIDGFAJIF-UHFFFAOYSA-N 0 0 444.944 2.705 50 0 IFAARN CN(CCCNC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000015786819 568836504 /nfs/dbraw/zinc/83/65/04/568836504.db2.gz LWPOVPNCKOXSCV-UHFFFAOYSA-N 0 0 448.932 2.953 50 0 IFAARN COc1cc(OC)c(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)c(OC)c1 ZINC000085875544 568838155 /nfs/dbraw/zinc/83/81/55/568838155.db2.gz TYQXKDZIMCMCNP-UHFFFAOYSA-N 0 0 430.409 2.827 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(C)C)cc1)OCC(=O)N2 ZINC000015822361 568839810 /nfs/dbraw/zinc/83/98/10/568839810.db2.gz SFEHMVQCPFRDRZ-UHFFFAOYSA-N 0 0 431.514 2.709 50 0 IFAARN COc1cnc(CSc2ncccn2)cc1OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000015824329 568840341 /nfs/dbraw/zinc/84/03/41/568840341.db2.gz FUZIRWDBRMLOMK-UHFFFAOYSA-N 0 0 426.454 2.919 50 0 IFAARN CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000015824888 568840624 /nfs/dbraw/zinc/84/06/24/568840624.db2.gz ITRHWHJXFNLSTR-UHFFFAOYSA-N 0 0 447.474 2.711 50 0 IFAARN O=C1[C@@H]2CC[C@@]3(Br)C(=O)[C@@]4(Br)CC[C@]1(Br)[C@H]4[C@@H]23 ZINC000071786603 568843540 /nfs/dbraw/zinc/84/35/40/568843540.db2.gz ZUTQDYLILJFSLV-XHBNEGHWSA-N 0 0 426.930 2.989 50 0 IFAARN COCCOC(=O)c1ccc(-n2nnc3c(sc4nc(C)cc(COC)c43)c2=O)cc1 ZINC000015834976 568843542 /nfs/dbraw/zinc/84/35/42/568843542.db2.gz DRBPCWGZDPHSEV-UHFFFAOYSA-N 0 0 440.481 2.648 50 0 IFAARN Cc1cccc2cc3c(nc12)N(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)CC3 ZINC000015842039 568844476 /nfs/dbraw/zinc/84/44/76/568844476.db2.gz PADWKHVMGLCJMF-UHFFFAOYSA-N 0 0 437.521 2.767 50 0 IFAARN COC(=O)C[C@H]1CN=N[C@]1(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000006142460 568845390 /nfs/dbraw/zinc/84/53/90/568845390.db2.gz FFNWZUULGQZUMN-AVRDEDQJSA-N 0 0 425.441 2.998 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1 ZINC000015858296 568846406 /nfs/dbraw/zinc/84/64/06/568846406.db2.gz MTMHWTWMQRYNRK-UHFFFAOYSA-N 0 0 436.873 2.836 50 0 IFAARN COc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1 ZINC000015858342 568846414 /nfs/dbraw/zinc/84/64/14/568846414.db2.gz FMQQYEYEQUBFKS-CYBMUJFWSA-N 0 0 436.917 2.634 50 0 IFAARN COC(=O)c1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1Cl ZINC000015858457 568846576 /nfs/dbraw/zinc/84/65/76/568846576.db2.gz CBMWWJOSXJBYMD-NSHDSACASA-N 0 0 436.873 2.691 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)c1 ZINC000015858437 568846578 /nfs/dbraw/zinc/84/65/78/568846578.db2.gz CATNKFMZJMGPLE-NSHDSACASA-N 0 0 438.889 2.922 50 0 IFAARN COc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)c(OC)c1 ZINC000015858439 568846605 /nfs/dbraw/zinc/84/66/05/568846605.db2.gz RQHSDVWESDBQMT-NSHDSACASA-N 0 0 438.889 2.922 50 0 IFAARN Cc1ccc2nc(C)c(Cc3nnc(SCC(=O)Nc4ccccc4)n3C)c(=O)n2c1 ZINC000015859181 568846958 /nfs/dbraw/zinc/84/69/58/568846958.db2.gz BIPMDFOVUALDCF-UHFFFAOYSA-N 0 0 434.525 2.761 50 0 IFAARN Cc1ccc(NC(=O)CSc2nnc(Cc3c(C)nc4ccccn4c3=O)n2C)cc1 ZINC000015859274 568846999 /nfs/dbraw/zinc/84/69/99/568846999.db2.gz VVSUDLJDNHCSLH-UHFFFAOYSA-N 0 0 434.525 2.761 50 0 IFAARN CC(=O)C[C@@H]1N(C2CCCCCC2)C(=O)[C@@H]2N(C3CCCCC3)C(=O)[C@@H]3CC(=O)O[C@@]321 ZINC000015861166 568848017 /nfs/dbraw/zinc/84/80/17/568848017.db2.gz PDZJHBREDMLRBA-OEEHMVQOSA-N 0 0 430.545 2.745 50 0 IFAARN COC(=O)c1ccc(CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000015883733 568857878 /nfs/dbraw/zinc/85/78/78/568857878.db2.gz LYVLJLYEBPYTRV-UHFFFAOYSA-N 0 0 427.526 2.910 50 0 IFAARN CC(C)Cc1cnc2c(c1SCC(=O)N(C)c1ccccc1)c(=O)n(C)c(=O)n2C ZINC000015883725 568857888 /nfs/dbraw/zinc/85/78/88/568857888.db2.gz DQEGUJGNOBEEBG-UHFFFAOYSA-N 0 0 426.542 2.586 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000015884074 568857946 /nfs/dbraw/zinc/85/79/46/568857946.db2.gz INONTEKKMVFDDZ-UHFFFAOYSA-N 0 0 443.511 2.501 50 0 IFAARN O=C(Cn1nc(C(=O)Nc2ccccc2)ccc1=O)Nc1ccc(Br)cc1 ZINC000015884303 568858079 /nfs/dbraw/zinc/85/80/79/568858079.db2.gz CDMNDAJPUBQMEO-UHFFFAOYSA-N 0 0 427.258 2.897 50 0 IFAARN CCOC(=O)[C@]1(O)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1C ZINC000012893073 568858260 /nfs/dbraw/zinc/85/82/60/568858260.db2.gz IOSAZKOERPLFJJ-CBGDNZLLSA-N 0 0 432.929 2.952 50 0 IFAARN CN1c2ccccc2N(C2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)S1(=O)=O ZINC000575414177 568861126 /nfs/dbraw/zinc/86/11/26/568861126.db2.gz IDSRJQACBZYGES-UHFFFAOYSA-N 0 0 439.497 2.542 50 0 IFAARN CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O ZINC000025693170 568862057 /nfs/dbraw/zinc/86/20/57/568862057.db2.gz GHEIPEXVLWLMRH-LEWJYISDSA-N 0 0 436.512 2.632 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)c1 ZINC000016047566 568869030 /nfs/dbraw/zinc/86/90/30/568869030.db2.gz NVAYIKJTCZOXGI-UHFFFAOYSA-N 0 0 430.468 2.796 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)cc1OC ZINC000016047558 568869050 /nfs/dbraw/zinc/86/90/50/568869050.db2.gz VLXKYMXCKYIVDA-UHFFFAOYSA-N 0 0 433.468 2.855 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1OC ZINC000012948165 568871400 /nfs/dbraw/zinc/87/14/00/568871400.db2.gz LYJOMASJZHVERQ-BLLLJJGKSA-N 0 0 430.432 2.517 50 0 IFAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000012952312 568872312 /nfs/dbraw/zinc/87/23/12/568872312.db2.gz LWUGEDVIOHKBDG-UHFFFAOYSA-N 0 0 428.514 2.715 50 0 IFAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(C(=S)NCCc2ccccc2)CC1 ZINC000016239037 568874780 /nfs/dbraw/zinc/87/47/80/568874780.db2.gz REJOZENSZSAXMW-UHFFFAOYSA-N 0 0 430.020 2.825 50 0 IFAARN CCOCCCn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C ZINC000006195374 568876949 /nfs/dbraw/zinc/87/69/49/568876949.db2.gz IMDLAXHIBPBWBR-UHFFFAOYSA-N 0 0 443.935 2.895 50 0 IFAARN O=C(NCCn1cnc(C2CC2)cc1=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000575606577 568878099 /nfs/dbraw/zinc/87/80/99/568878099.db2.gz HVPWQAGGNOYOKH-FQEVSTJZSA-N 0 0 444.539 2.611 50 0 IFAARN COc1ccc(Br)c(C(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)c1 ZINC000575608228 568878419 /nfs/dbraw/zinc/87/84/19/568878419.db2.gz XBGLVUULBLHTGA-UHFFFAOYSA-N 0 0 449.353 2.629 50 0 IFAARN COc1ccc(-c2nc(CNC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)cs2)cc1 ZINC000575608645 568878437 /nfs/dbraw/zinc/87/84/37/568878437.db2.gz HADBMMQBOVTVJO-UHFFFAOYSA-N 0 0 447.524 2.547 50 0 IFAARN CN1c2cc(F)c(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2N(C)S1(=O)=O ZINC000575611438 568879066 /nfs/dbraw/zinc/87/90/66/568879066.db2.gz FTDZMERTGZLPCU-GFCCVEGCSA-N 0 0 442.513 2.542 50 0 IFAARN O=S(=O)(NCc1ccc(-c2ccco2)o1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000575611892 568879290 /nfs/dbraw/zinc/87/92/90/568879290.db2.gz ZXAAFZBGUXSGGT-UHFFFAOYSA-N 0 0 436.511 2.948 50 0 IFAARN CN1c2ccc(F)cc2N(CCNC(=O)c2ccccc2Br)S1(=O)=O ZINC000575612132 568879453 /nfs/dbraw/zinc/87/94/53/568879453.db2.gz KXIUQXKVTUIOFS-UHFFFAOYSA-N 0 0 428.283 2.519 50 0 IFAARN Cc1cc(C)n([C@@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccsc2)n1 ZINC000575613893 568879698 /nfs/dbraw/zinc/87/96/98/568879698.db2.gz LFXMGELBRZHAGC-IBGZPJMESA-N 0 0 432.571 2.831 50 0 IFAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccsc2)n2nc(C)cc2C)c1 ZINC000575614197 568879953 /nfs/dbraw/zinc/87/99/53/568879953.db2.gz PEPFIYRFWTYKGT-QGZVFWFLSA-N 0 0 449.554 2.925 50 0 IFAARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc2c(c1)OCO2 ZINC000000816214 568880295 /nfs/dbraw/zinc/88/02/95/568880295.db2.gz KZWIGPYSXCKUMT-FOPRYUNUSA-N 0 0 441.480 2.980 50 0 IFAARN Cc1nn(CCNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c(C)c1-c1ccco1 ZINC000575614811 568881147 /nfs/dbraw/zinc/88/11/47/568881147.db2.gz JANGETQJNPNZQN-UHFFFAOYSA-N 0 0 440.525 2.574 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 ZINC000575615144 568881294 /nfs/dbraw/zinc/88/12/94/568881294.db2.gz MPYUZLNMUNRPAY-UHFFFAOYSA-N 0 0 447.845 2.538 50 0 IFAARN COc1ccc(CNc2nc(SCC(=O)N=c3cc(C)[nH][nH]3)nc3ccccc32)cc1 ZINC000575615929 568881509 /nfs/dbraw/zinc/88/15/09/568881509.db2.gz JPPCBIHWXLZGCR-UHFFFAOYSA-N 0 0 434.525 2.857 50 0 IFAARN Cn1c(=O)n(C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)nc1C(F)(F)F ZINC000575616755 568881677 /nfs/dbraw/zinc/88/16/77/568881677.db2.gz ZFMAVRBJMAUVCX-UHFFFAOYSA-N 0 0 444.479 2.505 50 0 IFAARN C[C@@H](CSc1nc2ccccc2o1)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000006283188 568881808 /nfs/dbraw/zinc/88/18/08/568881808.db2.gz KVPRDPXVYYANAV-CYBMUJFWSA-N 0 0 440.529 2.593 50 0 IFAARN O=C(Cc1ccccc1Br)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1 ZINC000575617882 568881818 /nfs/dbraw/zinc/88/18/18/568881818.db2.gz SJPAWMVZUUEKHE-UHFFFAOYSA-N 0 0 443.301 2.666 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575618263 568882156 /nfs/dbraw/zinc/88/21/56/568882156.db2.gz UOZJABIWCLAYEC-APWZRJJASA-N 0 0 434.471 2.752 50 0 IFAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575618237 568882167 /nfs/dbraw/zinc/88/21/67/568882167.db2.gz UMIIGDKADSKRHY-KRWDZBQOSA-N 0 0 440.525 2.689 50 0 IFAARN C[C@H](CN1CCCC1=O)NC(=O)c1cccn1-c1cccc(I)c1 ZINC000064036596 568882624 /nfs/dbraw/zinc/88/26/24/568882624.db2.gz DROJLLLTFAGXDD-CYBMUJFWSA-N 0 0 437.281 2.823 50 0 IFAARN Cc1c(C)n2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)n1C[C@H]1CCCO1 ZINC000006300137 568882658 /nfs/dbraw/zinc/88/26/58/568882658.db2.gz GRKXAVDYTGBOHA-BQHJZSHBSA-N 0 0 433.512 2.659 50 0 IFAARN COc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4F)n3n2)cc1 ZINC000009568980 568883472 /nfs/dbraw/zinc/88/34/72/568883472.db2.gz PNPQSLKUSVLSQS-UHFFFAOYSA-N 0 0 439.472 2.903 50 0 IFAARN O=C(NC[C@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000226615510 568885377 /nfs/dbraw/zinc/88/53/77/568885377.db2.gz ZOXRJSKYKQNJNO-LSDHHAIUSA-N 0 0 435.373 2.830 50 0 IFAARN CCOC(=O)[C@@H]1N[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000226870921 568885619 /nfs/dbraw/zinc/88/56/19/568885619.db2.gz VNNZLGIBHWIYBJ-BRSBDYLESA-N 0 0 443.297 2.831 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc43)cc2)C[C@H](C)O1 ZINC000090503016 568886495 /nfs/dbraw/zinc/88/64/95/568886495.db2.gz GLICYGCVGVNGFL-STQMWFEESA-N 0 0 432.527 2.742 50 0 IFAARN Cc1nc(-c2ccc(N3CCN(C(=O)c4cc(-c5ccc(F)cc5)nn4C)CC3)nc2)no1 ZINC000090558844 568887719 /nfs/dbraw/zinc/88/77/19/568887719.db2.gz QDKUGMRRNSYJAO-UHFFFAOYSA-N 0 0 447.474 2.942 50 0 IFAARN COc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(-c4noc(C)n4)cn3)CC2)[nH]n1 ZINC000090558843 568887810 /nfs/dbraw/zinc/88/78/10/568887810.db2.gz IXXAECNBJXOLKM-UHFFFAOYSA-N 0 0 445.483 2.801 50 0 IFAARN O=C(N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000090592070 568888705 /nfs/dbraw/zinc/88/87/05/568888705.db2.gz PXMTWSFGSHWZCO-IEBWSBKVSA-N 0 0 449.486 2.619 50 0 IFAARN COc1cccc2sc(OC3CN(S(=O)(=O)c4ccc(NC(C)=O)cc4)C3)nc21 ZINC000090594395 568889210 /nfs/dbraw/zinc/88/92/10/568889210.db2.gz QLELRUHBKMTLMB-UHFFFAOYSA-N 0 0 433.511 2.715 50 0 IFAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2ccc(-n3cccc3)nn2)CC1 ZINC000090607799 568890166 /nfs/dbraw/zinc/89/01/66/568890166.db2.gz YZMRNQVWSWECJB-UHFFFAOYSA-N 0 0 437.447 2.797 50 0 IFAARN CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)C2 ZINC000090609660 568891577 /nfs/dbraw/zinc/89/15/77/568891577.db2.gz ONFMIKCLFCDPAP-HNNXBMFYSA-N 0 0 430.549 2.751 50 0 IFAARN O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)N1CCOCC1 ZINC000090610195 568892042 /nfs/dbraw/zinc/89/20/42/568892042.db2.gz LUINAGYYKJDCNI-UHFFFAOYSA-N 0 0 435.253 2.966 50 0 IFAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n3C)n1C[C@@H]1CCCO1 ZINC000006321607 568892255 /nfs/dbraw/zinc/89/22/55/568892255.db2.gz OMBDCOXULRYZIL-IBGZPJMESA-N 0 0 435.528 2.610 50 0 IFAARN CC(C)n1c(=O)cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n(C(C)C)c1=O ZINC000035562127 568893354 /nfs/dbraw/zinc/89/33/54/568893354.db2.gz JWYUTZRMWFXXDA-UHFFFAOYSA-N 0 0 437.544 2.544 50 0 IFAARN CC(C)(C)c1cccc(OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1 ZINC000012982189 568894590 /nfs/dbraw/zinc/89/45/90/568894590.db2.gz OKHMPCNVLWRSMP-UHFFFAOYSA-N 0 0 446.569 2.700 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)ccc1Cl ZINC000012985887 568895563 /nfs/dbraw/zinc/89/55/63/568895563.db2.gz QLIXXMWNIPRUEZ-LBPRGKRZSA-N 0 0 443.909 2.851 50 0 IFAARN C[C@@H](NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000036386005 568896420 /nfs/dbraw/zinc/89/64/20/568896420.db2.gz HORPRMLPRRCONZ-CVEARBPZSA-N 0 0 437.512 2.537 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000012991372 568896425 /nfs/dbraw/zinc/89/64/25/568896425.db2.gz WEYFJSZLKTZKAR-UHFFFAOYSA-N 0 0 442.534 2.771 50 0 IFAARN O=C(c1cccc(F)c1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000012997669 568896993 /nfs/dbraw/zinc/89/69/93/568896993.db2.gz ADGDIMPVOWFEEQ-UHFFFAOYSA-N 0 0 426.517 2.961 50 0 IFAARN O=C(Nc1ccc(-n2nnc(C(=O)NC3CCCC3)n2)cc1)c1ccc(Br)o1 ZINC000071003109 568897333 /nfs/dbraw/zinc/89/73/33/568897333.db2.gz PDDZGFNPPSRRBI-UHFFFAOYSA-N 0 0 445.277 2.943 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000013001938 568898262 /nfs/dbraw/zinc/89/82/62/568898262.db2.gz UFJJLMGHXONAMC-UHFFFAOYSA-N 0 0 431.540 2.945 50 0 IFAARN CCc1cccc(N2C[C@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2=O)c1 ZINC000013003643 568898685 /nfs/dbraw/zinc/89/86/85/568898685.db2.gz YAUOMWOKCZSNRK-QGZVFWFLSA-N 0 0 429.542 2.799 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c1 ZINC000013015970 568901592 /nfs/dbraw/zinc/90/15/92/568901592.db2.gz RQLGOZRCDRMKII-HNNXBMFYSA-N 0 0 438.571 2.791 50 0 IFAARN COC(=O)c1sccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000013020564 568902311 /nfs/dbraw/zinc/90/23/11/568902311.db2.gz XIDUBUHNRQZXDE-UHFFFAOYSA-N 0 0 444.481 2.852 50 0 IFAARN CC(=O)Nc1cccc(N2C(=O)N[C@@H](CCC(=O)NCCn3ccc4ccccc43)C2=O)c1 ZINC000253415167 568903350 /nfs/dbraw/zinc/90/33/50/568903350.db2.gz ZWMGIMPOWIGZRR-FQEVSTJZSA-N 0 0 447.495 2.621 50 0 IFAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000239439106 568911743 /nfs/dbraw/zinc/91/17/43/568911743.db2.gz ZKXHQSHCOVDPJB-RKGSWTEASA-N 0 0 434.398 2.692 50 0 IFAARN C[C@H](CNC(=O)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1)c1ccccc1 ZINC000245247228 568913498 /nfs/dbraw/zinc/91/34/98/568913498.db2.gz SEYSCQWHGIRTND-NIKGAXFTSA-N 0 0 429.567 2.900 50 0 IFAARN C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)N1CCCCCC1 ZINC000245256104 568913826 /nfs/dbraw/zinc/91/38/26/568913826.db2.gz NSCTWIWQFBGWJF-UFYCRDLUSA-N 0 0 449.617 2.679 50 0 IFAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5cc(C)ccc5N4[C@H](C(C)=O)[C@H]3C2=O)cc1 ZINC000245256512 568914024 /nfs/dbraw/zinc/91/40/24/568914024.db2.gz QFOXYBRIWZFRPC-CWBXHPNXSA-N 0 0 430.460 2.899 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccccn3)CC2)cc1 ZINC000245257246 568914127 /nfs/dbraw/zinc/91/41/27/568914127.db2.gz XSJZJMHURQWDOV-QAQDUYKDSA-N 0 0 430.530 2.763 50 0 IFAARN COCCN1C(=O)[C@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000245310081 568914534 /nfs/dbraw/zinc/91/45/34/568914534.db2.gz HJLLEAXAUCBGJM-NTLWEQJWSA-N 0 0 433.508 2.682 50 0 IFAARN O=S(=O)(c1ccc(F)cc1)N1CCN(Cn2nc(-c3ccccc3)[nH]c2=S)CC1 ZINC000013073601 568916098 /nfs/dbraw/zinc/91/60/98/568916098.db2.gz BETWWNREBFPOKZ-UHFFFAOYSA-N 0 0 433.534 2.711 50 0 IFAARN C[C@H](CNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)c1ccccc1 ZINC000247988408 568918815 /nfs/dbraw/zinc/91/88/15/568918815.db2.gz JLZYPLVYZZMXAJ-MDASCCDHSA-N 0 0 429.567 2.900 50 0 IFAARN CN(C(=O)COC(=O)c1ccc(NC=O)cc1)c1ccccc1C(=O)NCc1ccco1 ZINC000089365563 568921505 /nfs/dbraw/zinc/92/15/05/568921505.db2.gz GRWZDWRVMOMFBN-UHFFFAOYSA-N 0 0 435.436 2.598 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc3ccc4ccccc4n32)cc1 ZINC000001924278 568923322 /nfs/dbraw/zinc/92/33/22/568923322.db2.gz RGEJRFBKUPBAHH-UHFFFAOYSA-N 0 0 441.538 2.864 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4n[nH]cc4c3)CC2)cc1OC ZINC000089464695 568925936 /nfs/dbraw/zinc/92/59/36/568925936.db2.gz WFZGGMPPABSMJN-UHFFFAOYSA-N 0 0 444.513 2.620 50 0 IFAARN COc1ccc2c(CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cc(=O)oc2c1 ZINC000089467124 568926234 /nfs/dbraw/zinc/92/62/34/568926234.db2.gz SVZCHRLEDVDTGU-UHFFFAOYSA-N 0 0 448.928 2.962 50 0 IFAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Br)cc2S(C)(=O)=O)cc1 ZINC000089484346 568926795 /nfs/dbraw/zinc/92/67/95/568926795.db2.gz YPBPJZJXOAHISZ-UHFFFAOYSA-N 0 0 446.344 2.650 50 0 IFAARN CS(=O)(=O)c1nc(C(=O)O[C@@H](CSc2nc[nH]n2)c2ccccc2)c2ccccn21 ZINC000089493024 568926799 /nfs/dbraw/zinc/92/67/99/568926799.db2.gz RNWXJVHSRGIUKS-HNNXBMFYSA-N 0 0 443.510 2.546 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc32)no1 ZINC000064450703 568928845 /nfs/dbraw/zinc/92/88/45/568928845.db2.gz SJFFTGOBNHCCAS-UHFFFAOYSA-N 0 0 428.470 2.667 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc32)no1 ZINC000064450669 568928925 /nfs/dbraw/zinc/92/89/25/568928925.db2.gz OSEJGEDKRANUIU-UHFFFAOYSA-N 0 0 434.518 2.511 50 0 IFAARN CCN(CC)c1cc2c(cc1NC(=O)c1cc(Cl)ccc1OC)n(C)c(=O)c(=O)n2C ZINC000064526247 568931483 /nfs/dbraw/zinc/93/14/83/568931483.db2.gz PXSYPJKTVILINP-UHFFFAOYSA-N 0 0 444.919 2.998 50 0 IFAARN CCn1c(=O)c(N2CCN(C(=O)c3ccccc3Br)CC2)nc2cccnc21 ZINC000064578808 568934061 /nfs/dbraw/zinc/93/40/61/568934061.db2.gz WHTOBBAXDCPCOJ-UHFFFAOYSA-N 0 0 442.317 2.536 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C(=O)[O-])c2)cc1Cl ZINC000064580547 568934463 /nfs/dbraw/zinc/93/44/63/568934463.db2.gz PUOPKBNYIGFXMF-UHFFFAOYSA-N 0 0 439.921 2.599 50 0 IFAARN C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2C(=O)[O-])CC1 ZINC000064580543 568934489 /nfs/dbraw/zinc/93/44/89/568934489.db2.gz YWWABHDMOJIYEC-UHFFFAOYSA-N 0 0 429.542 2.816 50 0 IFAARN CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)N(C)C)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000035966409 568935050 /nfs/dbraw/zinc/93/50/50/568935050.db2.gz DFHMGYHHBCGGJO-NQIIRXRSSA-N 0 0 426.561 2.989 50 0 IFAARN Cc1cc(C)cc(-n2ccn3c(SCC(=O)Nc4ccc5c(c4)OCO5)nnc3c2=O)c1 ZINC000064593040 568935583 /nfs/dbraw/zinc/93/55/83/568935583.db2.gz XZKUBXYMEZXEHB-UHFFFAOYSA-N 0 0 449.492 2.957 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O)C3 ZINC000100792237 568936543 /nfs/dbraw/zinc/93/65/43/568936543.db2.gz GFHFWGFKMHTSCF-QFIPXVFZSA-N 0 0 432.480 2.825 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2cccc(Nc3nc4ccccc4n4nnnc34)c2)CC1 ZINC000016682748 568937822 /nfs/dbraw/zinc/93/78/22/568937822.db2.gz XYNZQQIZUNBKAG-UHFFFAOYSA-N 0 0 445.483 2.831 50 0 IFAARN Cc1cc(C)c2c(=O)n(CC(=O)N3CCc4ccccc4C3)c(=O)n(-c3ccccc3)c2n1 ZINC000064604510 568938901 /nfs/dbraw/zinc/93/89/01/568938901.db2.gz WZVNIUUMJJVWMW-UHFFFAOYSA-N 0 0 440.503 2.749 50 0 IFAARN CCc1ccc(-c2cc(NC(C)=O)c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 ZINC000064604978 568939068 /nfs/dbraw/zinc/93/90/68/568939068.db2.gz KTDFOVJXJRARGE-UHFFFAOYSA-N 0 0 434.452 2.799 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035991664 568941829 /nfs/dbraw/zinc/94/18/29/568941829.db2.gz PAPJJDQASXCGHV-UZLBHIALSA-N 0 0 447.507 2.614 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000035991432 568941839 /nfs/dbraw/zinc/94/18/39/568941839.db2.gz SWAYBVRZRWRULQ-RXVVDRJESA-N 0 0 443.544 2.865 50 0 IFAARN CC[C@H](C)N(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(C)=O ZINC000036071374 568945872 /nfs/dbraw/zinc/94/58/72/568945872.db2.gz JLVVTIAFVDQAOA-SFHVURJKSA-N 0 0 439.560 2.838 50 0 IFAARN CCC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C1CC1 ZINC000036074296 568946265 /nfs/dbraw/zinc/94/62/65/568946265.db2.gz GODLPJUGQPUJSA-UHFFFAOYSA-N 0 0 427.936 2.847 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036080245 568946593 /nfs/dbraw/zinc/94/65/93/568946593.db2.gz QQJDQGZNEPRWQL-KXBFYZLASA-N 0 0 449.935 2.786 50 0 IFAARN CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)C(C)C ZINC000036083216 568947017 /nfs/dbraw/zinc/94/70/17/568947017.db2.gz QWRIFVHXNNAFBK-UHFFFAOYSA-N 0 0 427.524 2.826 50 0 IFAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccccc3)nn(-c3ccccc3F)c2=O)cc1 ZINC000036085231 568947825 /nfs/dbraw/zinc/94/78/25/568947825.db2.gz OONZHSRGFICXJQ-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN O=C(NCc1ccccc1)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036085472 568948006 /nfs/dbraw/zinc/94/80/06/568948006.db2.gz JHECOIWRJVFDPQ-UHFFFAOYSA-N 0 0 448.429 2.651 50 0 IFAARN CN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085951 568948229 /nfs/dbraw/zinc/94/82/29/568948229.db2.gz JNYUUMDDMGMXJC-UHFFFAOYSA-N 0 0 444.466 2.854 50 0 IFAARN Cc1ccccc1Cn1c(=O)c(C(=O)NCc2ccccc2)nn(-c2ccccc2)c1=O ZINC000036086065 568948506 /nfs/dbraw/zinc/94/85/06/568948506.db2.gz NJFYZTOWYKQJSJ-UHFFFAOYSA-N 0 0 426.476 2.681 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccco3)nn(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000036086335 568948673 /nfs/dbraw/zinc/94/86/73/568948673.db2.gz FQZWGPOWAKMLQK-UHFFFAOYSA-N 0 0 444.491 2.891 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036087496 568948874 /nfs/dbraw/zinc/94/88/74/568948874.db2.gz FTBNABQDVQKLJK-ZDUSSCGKSA-N 0 0 430.867 2.763 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccccc3)nn(-c3cccc(C)c3)c2=O)c1 ZINC000036086962 568949133 /nfs/dbraw/zinc/94/91/33/568949133.db2.gz YWCCGWJIZXCMOO-UHFFFAOYSA-N 0 0 440.503 2.989 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccco3)nn(-c3cccc(C)c3)c2=O)c1 ZINC000036086961 568949149 /nfs/dbraw/zinc/94/91/49/568949149.db2.gz BUNLSWWRMXVCPZ-UHFFFAOYSA-N 0 0 430.464 2.582 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036087087 568949441 /nfs/dbraw/zinc/94/94/41/568949441.db2.gz QKPIPUWXIAJPOX-OAHLLOKOSA-N 0 0 426.904 2.933 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(F)c2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036088528 568949886 /nfs/dbraw/zinc/94/98/86/568949886.db2.gz XZAZUKMPYBGZNP-CYBMUJFWSA-N 0 0 430.867 2.763 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2cccc(F)c2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036088530 568949937 /nfs/dbraw/zinc/94/99/37/568949937.db2.gz XZAZUKMPYBGZNP-ZDUSSCGKSA-N 0 0 430.867 2.763 50 0 IFAARN CCCNC(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2ccccc2C)c1=O ZINC000036089219 568950470 /nfs/dbraw/zinc/95/04/70/568950470.db2.gz AOJCQBNDMSDNOZ-UHFFFAOYSA-N 0 0 426.904 2.853 50 0 IFAARN CCCCN1C(=O)[C@@](C)(C(=O)N2CCN(c3ccccc3F)CC2)Oc2cccnc21 ZINC000064759739 568952058 /nfs/dbraw/zinc/95/20/58/568952058.db2.gz RKAUAAFMGDXQNJ-HSZRJFAPSA-N 0 0 426.492 2.854 50 0 IFAARN COCC(=O)N(CCN1CCOCC1)Cc1csc(COc2cc(C)cc(C)c2)n1 ZINC000036105187 568953347 /nfs/dbraw/zinc/95/33/47/568953347.db2.gz YXTFQTXZEIBHAC-UHFFFAOYSA-N 0 0 433.574 2.646 50 0 IFAARN CC(C)Cn1c2nn(CC(=O)NCCC3=CCCCC3)c(=O)n2c2ccsc2c1=O ZINC000064775191 568954504 /nfs/dbraw/zinc/95/45/04/568954504.db2.gz HURWRMRGWKUDCR-UHFFFAOYSA-N 0 0 429.546 2.535 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)c(OC)c1 ZINC000064776069 568955082 /nfs/dbraw/zinc/95/50/82/568955082.db2.gz VOLJSXYWSJPCFF-OAHLLOKOSA-N 0 0 434.496 2.825 50 0 IFAARN CCOc1cccc([C@@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1O ZINC000064788123 568956482 /nfs/dbraw/zinc/95/64/82/568956482.db2.gz LDGOGCLNQQRMIN-QHCPKHFHSA-N 0 0 447.491 2.930 50 0 IFAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)COC ZINC000036119546 568956791 /nfs/dbraw/zinc/95/67/91/568956791.db2.gz SFLOJLXCOHNRNB-FQEVSTJZSA-N 0 0 446.569 2.764 50 0 IFAARN COc1ccc(C(=O)N(Cc2cccs2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1OC ZINC000064791948 568959166 /nfs/dbraw/zinc/95/91/66/568959166.db2.gz LIGIALDXKQBJKC-UHFFFAOYSA-N 0 0 439.497 2.960 50 0 IFAARN CCn1nc(C)c2nc(SCC(=O)NC(C)C)n(Cc3cccc(OC)c3)c(=O)c21 ZINC000064817437 568964469 /nfs/dbraw/zinc/96/44/69/568964469.db2.gz APUVNJOEDNTAFC-UHFFFAOYSA-N 0 0 429.546 2.595 50 0 IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)Cc1ccccc1 ZINC000036156575 568965415 /nfs/dbraw/zinc/96/54/15/568965415.db2.gz GPGXTABGADARBR-QGZVFWFLSA-N 0 0 427.570 2.915 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(C)C)cc2)cn1C ZINC000064818968 568965667 /nfs/dbraw/zinc/96/56/67/568965667.db2.gz KXCANVJFNDMYHF-GOSISDBHSA-N 0 0 433.530 2.727 50 0 IFAARN O=C(Cc1ccccc1)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)N2CCCC2)CC1 ZINC000036157882 568966214 /nfs/dbraw/zinc/96/62/14/568966214.db2.gz NQGGCHUNUCDMOV-DEOSSOPVSA-N 0 0 433.552 2.889 50 0 IFAARN CCOc1ccc(CCNC(=O)c2cc(=O)nc3sc(N4CCCCC4)nn32)cc1 ZINC000064836298 568969213 /nfs/dbraw/zinc/96/92/13/568969213.db2.gz RJZBPNWVTSQYRK-UHFFFAOYSA-N 0 0 427.530 2.513 50 0 IFAARN COc1ccc(OCc2nc(CCN(C)S(=O)(=O)c3cc(F)ccc3F)no2)cc1 ZINC000064842047 568970585 /nfs/dbraw/zinc/97/05/85/568970585.db2.gz OMIQHCAHODUVHR-UHFFFAOYSA-N 0 0 439.440 2.799 50 0 IFAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC1)c1cccn1-2 ZINC000064848056 568971398 /nfs/dbraw/zinc/97/13/98/568971398.db2.gz BTWHULSAMVJLRR-UHFFFAOYSA-N 0 0 441.557 2.942 50 0 IFAARN CCOC(=O)c1sc2[nH]c(CN(CC(C)C)C[C@H](O)COC)nc(=O)c2c1C(C)C ZINC000036207284 568973045 /nfs/dbraw/zinc/97/30/45/568973045.db2.gz XCBDXDOZPQFNMJ-AWEZNQCLSA-N 0 0 439.578 2.750 50 0 IFAARN CCCN(Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@@H](O)COC ZINC000036207734 568973224 /nfs/dbraw/zinc/97/32/24/568973224.db2.gz SREQZECNNYMAOL-OAHLLOKOSA-N 0 0 447.557 2.888 50 0 IFAARN O=C(N[C@H](C(=O)NC1CC1)C1CCN(C(=O)c2cccs2)CC1)c1ccc(F)cc1 ZINC000036208746 568973594 /nfs/dbraw/zinc/97/35/94/568973594.db2.gz RJJSBTWAUJYSKW-IBGZPJMESA-N 0 0 429.517 2.817 50 0 IFAARN CCCNC(=O)N1CCc2cc(S(=O)(=O)N(C)C[C@@H]3COc4ccccc4O3)ccc21 ZINC000064861954 568973945 /nfs/dbraw/zinc/97/39/45/568973945.db2.gz AHIBWAZQMFFUSP-QGZVFWFLSA-N 0 0 445.541 2.629 50 0 IFAARN Cc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)NC2CC2)CC1 ZINC000036209538 568974186 /nfs/dbraw/zinc/97/41/86/568974186.db2.gz YZYCVFJNXNKLHF-HXUWFJFHSA-N 0 0 425.554 2.986 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)NC2CC2)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036210388 568974626 /nfs/dbraw/zinc/97/46/26/568974626.db2.gz LTQGDWLHKNJWQN-QFIPXVFZSA-N 0 0 435.524 2.625 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)NC(C)C)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000036210272 568974638 /nfs/dbraw/zinc/97/46/38/568974638.db2.gz WCOPEEWYRMSYSC-HXUWFJFHSA-N 0 0 443.569 2.932 50 0 IFAARN CCOC(=O)c1c(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)n1C ZINC000064863182 568975401 /nfs/dbraw/zinc/97/54/01/568975401.db2.gz PGTCYVNBSBPQIV-UHFFFAOYSA-N 0 0 439.965 2.983 50 0 IFAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(OC)c(OC)c2)c2ccccc2N1 ZINC000064869250 568975664 /nfs/dbraw/zinc/97/56/64/568975664.db2.gz SUFWCNCMNNVERK-UHFFFAOYSA-N 0 0 439.468 2.938 50 0 IFAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036211093 568976909 /nfs/dbraw/zinc/97/69/09/568976909.db2.gz WWVHSHBJMZMUFC-VGOFRKELSA-N 0 0 431.577 2.993 50 0 IFAARN CCN(CC)C(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210920 568976990 /nfs/dbraw/zinc/97/69/90/568976990.db2.gz VCKMYWHWVCWDNZ-JOCHJYFZSA-N 0 0 431.577 2.947 50 0 IFAARN CCNC(=O)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1 ZINC000036213908 568977602 /nfs/dbraw/zinc/97/76/02/568977602.db2.gz YYOBURLJQISWGV-IBGZPJMESA-N 0 0 434.968 2.892 50 0 IFAARN CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2nccnc21 ZINC000064874404 568978672 /nfs/dbraw/zinc/97/86/72/568978672.db2.gz LGZVUVOUNUPOAC-UHFFFAOYSA-N 0 0 449.898 2.856 50 0 IFAARN Cc1ccc(CNC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000064889253 568979942 /nfs/dbraw/zinc/97/99/42/568979942.db2.gz XDFMGGDPFUWSCS-UHFFFAOYSA-N 0 0 441.557 2.621 50 0 IFAARN CCOc1ccccc1NC(=O)CCn1nnc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000064889416 568980145 /nfs/dbraw/zinc/98/01/45/568980145.db2.gz FYCKPXATXKWWSU-UHFFFAOYSA-N 0 0 445.545 2.889 50 0 IFAARN CCc1ccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000064889165 568980221 /nfs/dbraw/zinc/98/02/21/568980221.db2.gz BWDXEXFWKOWWST-UHFFFAOYSA-N 0 0 427.530 2.807 50 0 IFAARN COc1ccc(C(=O)N2CCN([C@@H](C(=O)N3CCSCC3)C3CCCC3)CC2)cc1 ZINC000036251141 568984505 /nfs/dbraw/zinc/98/45/05/568984505.db2.gz UYACCMYMXNPAKE-OAQYLSRUSA-N 0 0 431.602 2.587 50 0 IFAARN CCc1ccc(C(=O)N2CCN([C@H](C(=O)NC[C@H]3CCCO3)C3CCCC3)CC2)cc1 ZINC000036254153 568984511 /nfs/dbraw/zinc/98/45/11/568984511.db2.gz YUXRSPRHBMKGEN-PKTZIBPZSA-N 0 0 427.589 2.861 50 0 IFAARN Cc1cc(F)ccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000064920915 568985625 /nfs/dbraw/zinc/98/56/25/568985625.db2.gz JFTBTDYREKFJSY-QGZVFWFLSA-N 0 0 447.488 2.565 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c(C)c1 ZINC000064921341 568985767 /nfs/dbraw/zinc/98/57/67/568985767.db2.gz KCKGSIHYNQNEQQ-UHFFFAOYSA-N 0 0 443.525 2.674 50 0 IFAARN Cc1c(S(=O)(=O)N2CCCC2)cc(C(=O)NCc2ccc(Br)cc2)n1C ZINC000064922557 568986094 /nfs/dbraw/zinc/98/60/94/568986094.db2.gz GHZBVZZJHAXRHD-UHFFFAOYSA-N 0 0 440.363 2.811 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(C)n1C ZINC000064923296 568986202 /nfs/dbraw/zinc/98/62/02/568986202.db2.gz CGBLZGLMNBFYRI-UHFFFAOYSA-N 0 0 439.965 2.983 50 0 IFAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)cc4)CC3)cc2NC1=O ZINC000064921552 568986637 /nfs/dbraw/zinc/98/66/37/568986637.db2.gz GALCBEPEABXCCL-CYBMUJFWSA-N 0 0 447.488 2.585 50 0 IFAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccccc4F)CC3)cc2NC1=O ZINC000064921546 568986649 /nfs/dbraw/zinc/98/66/49/568986649.db2.gz QHLQBZCJPVCSKX-CYBMUJFWSA-N 0 0 447.488 2.585 50 0 IFAARN Cc1ccc(-n2nc(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)ccc2=O)cc1Cl ZINC000064927817 568986727 /nfs/dbraw/zinc/98/67/27/568986727.db2.gz ZRNUCZJUBPWUGP-GOSISDBHSA-N 0 0 430.936 2.706 50 0 IFAARN COc1ccc(-n2nc(N3CCC(C(=O)NCc4cccc(OC)c4)CC3)ccc2=O)cc1 ZINC000064927171 568986906 /nfs/dbraw/zinc/98/69/06/568986906.db2.gz YKOBBXIBUDXNPV-UHFFFAOYSA-N 0 0 448.523 2.783 50 0 IFAARN COc1ccc(-n2nc(N3CCC(C(=O)NCc4ccccc4OC)CC3)ccc2=O)cc1 ZINC000064927168 568986956 /nfs/dbraw/zinc/98/69/56/568986956.db2.gz VAPITMLZXDRLOC-UHFFFAOYSA-N 0 0 448.523 2.783 50 0 IFAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4cccc(F)c4)n3)C2)c1 ZINC000064928570 568987841 /nfs/dbraw/zinc/98/78/41/568987841.db2.gz ZMYUKEASTGNWIU-SFHVURJKSA-N 0 0 436.487 2.913 50 0 IFAARN COc1ccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ncn2)cc1 ZINC000064929238 568988086 /nfs/dbraw/zinc/98/80/86/568988086.db2.gz FQZNAKLKPHFJRV-UHFFFAOYSA-N 0 0 428.489 2.802 50 0 IFAARN O=S(=O)(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000019373658 568989461 /nfs/dbraw/zinc/98/94/61/568989461.db2.gz YPOOPFMMCRYDPB-OAQYLSRUSA-N 0 0 426.538 2.586 50 0 IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@@H](O)COC(C)(C)C ZINC000169679292 568990761 /nfs/dbraw/zinc/99/07/61/568990761.db2.gz HEHFMHOLFIAESE-LSDHHAIUSA-N 0 0 437.606 2.734 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000169679357 568991199 /nfs/dbraw/zinc/99/11/99/568991199.db2.gz JHHVXLQUXXBDDO-JTHBVZDNSA-N 0 0 447.514 2.808 50 0 IFAARN CCOc1ccc(NC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccccc3)c2=O)cc1 ZINC000169681075 568991474 /nfs/dbraw/zinc/99/14/74/568991474.db2.gz RWGNAMICQCMZBX-UHFFFAOYSA-N 0 0 441.509 2.995 50 0 IFAARN CCCn1c(=O)c2sc3ncccc3c2n(CC(=O)NCc2ccc(F)cc2)c1=O ZINC000064942379 568991494 /nfs/dbraw/zinc/99/14/94/568991494.db2.gz PREBMZNDBVHABD-UHFFFAOYSA-N 0 0 426.473 2.638 50 0 IFAARN Cc1cccc(C)c1NC(=O)Cn1nc(S(=O)(=O)c2ccc(Cl)cc2)ccc1=O ZINC000064943178 568992366 /nfs/dbraw/zinc/99/23/66/568992366.db2.gz GFQQZEQKXDADLB-UHFFFAOYSA-N 0 0 431.901 2.985 50 0 IFAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](C)O ZINC000036309440 568995903 /nfs/dbraw/zinc/99/59/03/568995903.db2.gz JJZKUCMBOJFLHU-NQIIRXRSSA-N 0 0 432.586 2.891 50 0 IFAARN COc1ccc(CCNC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)cc2)cc1OC ZINC000064951008 568996143 /nfs/dbraw/zinc/99/61/43/568996143.db2.gz UZXXRCNKVLLYMW-UHFFFAOYSA-N 0 0 446.507 2.872 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N[C@@H](C)CCc4ccccc4)C3)sc2n1 ZINC000006807205 568996593 /nfs/dbraw/zinc/99/65/93/568996593.db2.gz OSSLOEGNKDBOMN-MAUKXSAKSA-N 0 0 425.558 2.813 50 0 IFAARN O=C(NC[C@@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000036310535 568996693 /nfs/dbraw/zinc/99/66/93/568996693.db2.gz IJKYBEFNQJYUMO-SFTDATJTSA-N 0 0 432.540 2.829 50 0 IFAARN Cc1cccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NC2CCCC2)C3)c1 ZINC000064954471 568997861 /nfs/dbraw/zinc/99/78/61/568997861.db2.gz ZBTCGDPUBUKCRV-VWLOTQADSA-N 0 0 449.555 2.557 50 0 IFAARN Cc1cccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NC4CCCC4)c3C(=O)N2C2CC2)c1 ZINC000064954886 568998036 /nfs/dbraw/zinc/99/80/36/568998036.db2.gz BFSNDZRINVWGPZ-VWLOTQADSA-N 0 0 449.555 2.557 50 0 IFAARN O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NCCCc1ccccc1 ZINC000064955457 568998581 /nfs/dbraw/zinc/99/85/81/568998581.db2.gz RXRKWJAZJGWQMV-UHFFFAOYSA-N 0 0 437.569 2.869 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4ccno4)c3)C2)c1 ZINC000064958040 568999120 /nfs/dbraw/zinc/99/91/20/568999120.db2.gz NRHZTBWWQCGYHU-INIZCTEOSA-N 0 0 429.502 2.597 50 0 IFAARN COc1cccc(C2=NC3(CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)NC2=O)c1 ZINC000064965725 569000935 /nfs/dbraw/zinc/00/09/35/569000935.db2.gz JFLZZRPALMTAQV-UHFFFAOYSA-N 0 0 441.553 2.720 50 0 IFAARN CCn1c2c(nc(-c3cccc(OC)c3OC)nc2C(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000064965899 569001001 /nfs/dbraw/zinc/00/10/01/569001001.db2.gz HKZDYSOSWWVHNK-UHFFFAOYSA-N 0 0 437.431 2.524 50 0 IFAARN COc1cc(CCN2C(=O)CC[C@@]2(C)C(=O)NCc2ccccc2)cc(OC)c1OC ZINC000006818839 569076638 /nfs/dbraw/zinc/07/66/38/569076638.db2.gz IJLZAXQXYIEYCL-DEOSSOPVSA-N 0 0 426.513 2.952 50 0 IFAARN COc1ccc(CNC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)c(OC)c1 ZINC000064977661 569077478 /nfs/dbraw/zinc/07/74/78/569077478.db2.gz ZGMUKMCSHLJZOG-UHFFFAOYSA-N 0 0 449.515 2.501 50 0 IFAARN COC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)cc1 ZINC000064977650 569077484 /nfs/dbraw/zinc/07/74/84/569077484.db2.gz BOEKEZOJXMKOIE-UHFFFAOYSA-N 0 0 433.472 2.593 50 0 IFAARN CCc1nc(C)nc(N2CCN(C[C@@H](O)COC(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000036340776 569078456 /nfs/dbraw/zinc/07/84/56/569078456.db2.gz QUTSCRFAYGHGKR-OAQYLSRUSA-N 0 0 430.568 2.985 50 0 IFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc(-c4noc(C)n4)c3)CC2)cc1 ZINC000064980335 569078528 /nfs/dbraw/zinc/07/85/28/569078528.db2.gz IMQKTBBMXKYZGM-UHFFFAOYSA-N 0 0 426.498 2.759 50 0 IFAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000064980353 569078562 /nfs/dbraw/zinc/07/85/62/569078562.db2.gz BYRQLOIJBQDIQO-UHFFFAOYSA-N 0 0 442.497 2.662 50 0 IFAARN COc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)CN2CCN(C)CC2)c(OC)c1 ZINC000036344503 569080194 /nfs/dbraw/zinc/08/01/94/569080194.db2.gz CDZFADUHKUDLDP-JOCHJYFZSA-N 0 0 440.519 2.768 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCN(C(C)=O)CC3)[C@@H](c3ccccc3C)C2)cc1 ZINC000036344910 569080435 /nfs/dbraw/zinc/08/04/35/569080435.db2.gz VYGHAOZMBKYJJW-XMMPIXPASA-N 0 0 434.540 2.845 50 0 IFAARN COc1cc(C(=O)NCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc(OC)c1OC ZINC000064991098 569083562 /nfs/dbraw/zinc/08/35/62/569083562.db2.gz FHCVZYRAXIMACC-UHFFFAOYSA-N 0 0 446.460 2.885 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccc(F)cc3F)s2)cc1 ZINC000064991802 569084321 /nfs/dbraw/zinc/08/43/21/569084321.db2.gz UVLOSHNLSJUEIK-UHFFFAOYSA-N 0 0 440.453 2.556 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064991583 569084552 /nfs/dbraw/zinc/08/45/52/569084552.db2.gz LPUXXROHRWHLJJ-UHFFFAOYSA-N 0 0 434.474 2.611 50 0 IFAARN COc1cccc(CNC(=O)NCc2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)c1 ZINC000064991513 569084583 /nfs/dbraw/zinc/08/45/83/569084583.db2.gz GJRUUHKYIUCZMY-UHFFFAOYSA-N 0 0 441.469 2.527 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000064991697 569084723 /nfs/dbraw/zinc/08/47/23/569084723.db2.gz DCFYGGLCDNJKQY-UHFFFAOYSA-N 0 0 445.526 2.617 50 0 IFAARN CCOc1ccccc1-c1noc(Cn2c3ccccc3c(=O)n(C[C@@H]3CCCO3)c2=O)n1 ZINC000064998936 569085647 /nfs/dbraw/zinc/08/56/47/569085647.db2.gz ACMLNONTNJIBFQ-INIZCTEOSA-N 0 0 448.479 2.839 50 0 IFAARN COc1ccc(CCNC(=O)c2ccc(-n3nnc4ccccc4c3=O)cc2)cc1OC ZINC000036366156 569087153 /nfs/dbraw/zinc/08/71/53/569087153.db2.gz MEZWZZWQUISZLQ-UHFFFAOYSA-N 0 0 430.464 2.770 50 0 IFAARN O=S(=O)(c1cc(-c2noc(C3CCCC3)n2)cs1)N1CCC2(CC1)OCCO2 ZINC000065009811 569088090 /nfs/dbraw/zinc/08/80/90/569088090.db2.gz LWCZOBKNHCVWPL-UHFFFAOYSA-N 0 0 425.532 2.983 50 0 IFAARN CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc21 ZINC000065021238 569088797 /nfs/dbraw/zinc/08/87/97/569088797.db2.gz SLVXZXMWPVFXQY-UHFFFAOYSA-N 0 0 428.510 2.928 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N3CCC(C(=O)N(CC)CC)CC3)cc2sc1=O ZINC000065022356 569088884 /nfs/dbraw/zinc/08/88/84/569088884.db2.gz YEAZPEHEUYZBFJ-UHFFFAOYSA-N 0 0 439.603 2.742 50 0 IFAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4ccccc4C)c(C)cc32)no1 ZINC000065022660 569088980 /nfs/dbraw/zinc/08/89/80/569088980.db2.gz NDEWILNLBMNXDG-UHFFFAOYSA-N 0 0 442.497 2.975 50 0 IFAARN Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4cccc(F)c4)c(C)cc32)no1 ZINC000065022582 569088982 /nfs/dbraw/zinc/08/89/82/569088982.db2.gz NJVYWIDPEFRDAI-UHFFFAOYSA-N 0 0 432.433 2.552 50 0 IFAARN COc1cc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)cc(OC)c1OC ZINC000065023094 569089161 /nfs/dbraw/zinc/08/91/61/569089161.db2.gz AFRUQWPQWKAILP-ZDUSSCGKSA-N 0 0 443.431 2.803 50 0 IFAARN CC(C)n1c(=O)cc(N2CCCN(C(=O)c3ccc(N(C)C)cc3)CC2)n(C(C)C)c1=O ZINC000065024441 569089563 /nfs/dbraw/zinc/08/95/63/569089563.db2.gz BXKVZYTXGZYQBP-UHFFFAOYSA-N 0 0 441.576 2.590 50 0 IFAARN CC(C)n1c(=O)cc(N2CCCN(C(=O)c3ccc(F)c(F)c3)CC2)n(C(C)C)c1=O ZINC000065024471 569089652 /nfs/dbraw/zinc/08/96/52/569089652.db2.gz ZZQYUURJJDSQDF-UHFFFAOYSA-N 0 0 434.487 2.803 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1cc(C)ccc1C ZINC000065029940 569091210 /nfs/dbraw/zinc/09/12/10/569091210.db2.gz UKLVNFMONKXWKX-UHFFFAOYSA-N 0 0 444.561 2.900 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccc(C)cc1 ZINC000065029944 569091227 /nfs/dbraw/zinc/09/12/27/569091227.db2.gz BLCVEPMIDMZYRE-UHFFFAOYSA-N 0 0 430.534 2.592 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCCN(c3nc4cccnc4s3)CC2)c1 ZINC000065030664 569091301 /nfs/dbraw/zinc/09/13/01/569091301.db2.gz WRWRMWPVHFDHPK-UHFFFAOYSA-N 0 0 434.543 2.610 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1OC ZINC000065034722 569092290 /nfs/dbraw/zinc/09/22/90/569092290.db2.gz WTBPTNLORFGXPU-UHFFFAOYSA-N 0 0 443.525 2.748 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN2CCc3[nH]c4c(C)cc(F)cc4c(=O)c3C2)c1 ZINC000065035027 569092433 /nfs/dbraw/zinc/09/24/33/569092433.db2.gz MRLMSINHKAAYDV-UHFFFAOYSA-N 0 0 425.460 2.990 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N(C)c3ccccc3)CC2)cc1 ZINC000036385522 569092989 /nfs/dbraw/zinc/09/29/89/569092989.db2.gz POEIMCLDEIOCDM-LJQANCHMSA-N 0 0 429.586 2.997 50 0 IFAARN COc1cccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccc(Cl)cc3)NC2=O)c1 ZINC000169757887 569094157 /nfs/dbraw/zinc/09/41/57/569094157.db2.gz POZVNTADTMOPIF-HXUWFJFHSA-N 0 0 441.871 2.542 50 0 IFAARN COc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccccc3Cl)NC2=O)cc1 ZINC000169758023 569094276 /nfs/dbraw/zinc/09/42/76/569094276.db2.gz ZZEMBFMTPVYYNH-LJQANCHMSA-N 0 0 427.844 2.865 50 0 IFAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C2=C1C(=O)OC2 ZINC000169758138 569094361 /nfs/dbraw/zinc/09/43/61/569094361.db2.gz LEQNFJCMMYPRQW-HXUWFJFHSA-N 0 0 443.406 2.879 50 0 IFAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)N2CCc3ccccc32)C2=C1C(=O)OC2 ZINC000169758183 569094382 /nfs/dbraw/zinc/09/43/82/569094382.db2.gz KPFATAXMCFEVDL-QFIPXVFZSA-N 0 0 433.464 2.552 50 0 IFAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C2=C1C(=O)OC2 ZINC000169758161 569094383 /nfs/dbraw/zinc/09/43/83/569094383.db2.gz OUYGAEGURRQLFI-FQEVSTJZSA-N 0 0 443.406 2.879 50 0 IFAARN CC1=NS(=O)(=O)N(Cc2ccccc2)C=C1C(=O)OCc1nc(-c2ccccc2)no1 ZINC000169760411 569094683 /nfs/dbraw/zinc/09/46/83/569094683.db2.gz BTSWCUMHCYFYAH-UHFFFAOYSA-N 0 0 438.465 2.885 50 0 IFAARN CCn1c(=O)n(CCOc2ccc(F)cc2)c(=O)c2cnc(-c3ccc(OC)cc3)nc21 ZINC000065057552 569095247 /nfs/dbraw/zinc/09/52/47/569095247.db2.gz IBCATYXAPVHCEV-UHFFFAOYSA-N 0 0 436.443 2.867 50 0 IFAARN COc1cccc(CNC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 ZINC000065061472 569096391 /nfs/dbraw/zinc/09/63/91/569096391.db2.gz XKWIWEBYTYIJLT-AWEZNQCLSA-N 0 0 435.546 2.653 50 0 IFAARN O=C(NCc1ccccc1Cn1cccn1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000036392019 569098147 /nfs/dbraw/zinc/09/81/47/569098147.db2.gz WDGAYMXZRVOJAE-NHCUHLMSSA-N 0 0 438.528 2.530 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccc(Br)cc1 ZINC000065075551 569099629 /nfs/dbraw/zinc/09/96/29/569099629.db2.gz TZXSAGDHOMWHND-UHFFFAOYSA-N 0 0 431.294 2.717 50 0 IFAARN NC(=O)c1ccc(S(=O)(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000036397342 569099979 /nfs/dbraw/zinc/09/99/79/569099979.db2.gz AWQUWKSWAZBTLB-HXUWFJFHSA-N 0 0 438.484 2.994 50 0 IFAARN NC(=O)c1ccc(S(=O)(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000036397341 569100014 /nfs/dbraw/zinc/10/00/14/569100014.db2.gz AWQUWKSWAZBTLB-FQEVSTJZSA-N 0 0 438.484 2.994 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)NCc2ccccc2Cl)n1 ZINC000065076452 569100120 /nfs/dbraw/zinc/10/01/20/569100120.db2.gz ULLXAYRTVZOCLV-OAHLLOKOSA-N 0 0 436.899 2.805 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1nc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O ZINC000065076508 569100139 /nfs/dbraw/zinc/10/01/39/569100139.db2.gz RKRUUJNFTINAQN-INIZCTEOSA-N 0 0 432.480 2.790 50 0 IFAARN O=C(CN1c2ccc(S(=O)(=O)N3CCCC3)cc2CCCC1=O)NC1CCCCCC1 ZINC000065078481 569100680 /nfs/dbraw/zinc/10/06/80/569100680.db2.gz ASIIGKMUQXBLBN-UHFFFAOYSA-N 0 0 447.601 2.979 50 0 IFAARN O=C(CN1c2ccc(S(=O)(=O)N3CCCCCC3)cc2CCCC1=O)N1CCCC1 ZINC000065079098 569101044 /nfs/dbraw/zinc/10/10/44/569101044.db2.gz YKZPOSJYWAZYMB-UHFFFAOYSA-N 0 0 433.574 2.543 50 0 IFAARN O=C(NCc1ccccc1Cl)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 ZINC000169773441 569101700 /nfs/dbraw/zinc/10/17/00/569101700.db2.gz IJOGHNOGFMQHBT-UHFFFAOYSA-N 0 0 427.888 2.871 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)c1ccccc1Cl ZINC000036404263 569103000 /nfs/dbraw/zinc/10/30/00/569103000.db2.gz ACLCBKDMLFZOMZ-CEXWTWQISA-N 0 0 435.012 2.639 50 0 IFAARN Cc1cn2nc(-c3nc([C@@H]4CCCN(C(=O)c5ccc(C)c(F)c5)C4)no3)cc2c(=O)[nH]1 ZINC000169780411 569103016 /nfs/dbraw/zinc/10/30/16/569103016.db2.gz DQFOIPSLXGELPV-OAHLLOKOSA-N 0 0 436.447 2.848 50 0 IFAARN CCCN(CCC)C(=O)CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 ZINC000065085751 569103259 /nfs/dbraw/zinc/10/32/59/569103259.db2.gz WSTWBPQUZFVYCA-UHFFFAOYSA-N 0 0 437.562 2.571 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccccc2Cl)CC1)NC(=O)NCCC1=CCCCC1 ZINC000013115299 569103345 /nfs/dbraw/zinc/10/33/45/569103345.db2.gz FAQXKUBCRAMIIB-UHFFFAOYSA-N 0 0 432.952 2.814 50 0 IFAARN CCN(C(=O)CN1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)c1ccccc1C ZINC000036408760 569103438 /nfs/dbraw/zinc/10/34/38/569103438.db2.gz PAWSGJQCNRPAJA-UHFFFAOYSA-N 0 0 443.569 2.557 50 0 IFAARN COc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccccc4C)c(=O)n3c2)cc1 ZINC000065100136 569104958 /nfs/dbraw/zinc/10/49/58/569104958.db2.gz ALDYUPALBPMLPG-UHFFFAOYSA-N 0 0 431.452 2.704 50 0 IFAARN O=C(Cn1nc2ccc(C(=O)NCc3ccccc3)cn2c1=O)Nc1ccccc1Cl ZINC000065100193 569105371 /nfs/dbraw/zinc/10/53/71/569105371.db2.gz ZCVPVLWKEMVVQT-UHFFFAOYSA-N 0 0 435.871 2.718 50 0 IFAARN COc1cccc(NC(=O)Cn2nc3ccc(C(=O)Nc4cccc(C)c4)cn3c2=O)c1 ZINC000065100179 569105406 /nfs/dbraw/zinc/10/54/06/569105406.db2.gz FVAZDYDTFVXRAS-UHFFFAOYSA-N 0 0 431.452 2.704 50 0 IFAARN CCc1ccc(-n2c(=O)c3sc(SC)nc3n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000065100609 569105543 /nfs/dbraw/zinc/10/55/43/569105543.db2.gz MNOMCARBSIFJHU-UHFFFAOYSA-N 0 0 444.582 2.952 50 0 IFAARN C[C@@H]1CCCN(C(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cn3)cn2)C1 ZINC000169785687 569105567 /nfs/dbraw/zinc/10/55/67/569105567.db2.gz VCBIZFYRTBRZRQ-IAGOWNOFSA-N 0 0 431.562 2.560 50 0 IFAARN Cc1ccc(CNC(=O)Cn2c3ccccc3nc(CCC(=O)NCC(C)C)c2=O)cc1 ZINC000065101643 569105933 /nfs/dbraw/zinc/10/59/33/569105933.db2.gz HEKVNGLPMQKGTL-UHFFFAOYSA-N 0 0 434.540 2.726 50 0 IFAARN O=C(c1noc2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)cc21)N1CCCC1 ZINC000065115145 569106524 /nfs/dbraw/zinc/10/65/24/569106524.db2.gz INMIPFJWMSVHDJ-UHFFFAOYSA-N 0 0 446.573 2.703 50 0 IFAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)sc2C)o1 ZINC000065116619 569107433 /nfs/dbraw/zinc/10/74/33/569107433.db2.gz RIXXYPIVNCHMEJ-UHFFFAOYSA-N 0 0 436.515 2.722 50 0 IFAARN Cn1c2ccccc2nc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)c1=O ZINC000065113050 569108340 /nfs/dbraw/zinc/10/83/40/569108340.db2.gz SZFWVFPSCZHKDP-UHFFFAOYSA-N 0 0 441.329 2.587 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3-c3nnc(C4CC4)o3)CC2)cc1F ZINC000065118269 569108872 /nfs/dbraw/zinc/10/88/72/569108872.db2.gz PKDFAMRXMPRSNP-UHFFFAOYSA-N 0 0 443.504 2.967 50 0 IFAARN Cc1ccc(CNC(=O)c2nsc(C(=O)N3CCN(c4ccccc4)CC3)c2N)cc1 ZINC000065118347 569109016 /nfs/dbraw/zinc/10/90/16/569109016.db2.gz QJLXDKXFHVXFFH-UHFFFAOYSA-N 0 0 435.553 2.926 50 0 IFAARN O=C(NCc1ccccc1)c1ccc(CN2CCN(Cc3ccccc3)C(=O)C2=O)cc1 ZINC000065130228 569109028 /nfs/dbraw/zinc/10/90/28/569109028.db2.gz IWYIXWZSOAHLOW-UHFFFAOYSA-N 0 0 427.504 2.988 50 0 IFAARN O=C(NCc1ccco1)c1ccc(CN2CCN(Cc3ccc(F)cc3)C(=O)C2=O)cc1 ZINC000065130355 569109152 /nfs/dbraw/zinc/10/91/52/569109152.db2.gz SBHIZJSVKLKNRN-UHFFFAOYSA-N 0 0 435.455 2.720 50 0 IFAARN Cc1ccc(CNC(=O)CSc2ccc(N3CCC[C@H](C(=O)NC4CC4)C3)nn2)cc1 ZINC000065131541 569109515 /nfs/dbraw/zinc/10/95/15/569109515.db2.gz NEJCUIHIMVHXRH-SFHVURJKSA-N 0 0 439.585 2.689 50 0 IFAARN O=C(Cn1nc(N2CCOCC2)c2ccccc2c1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000065134313 569110200 /nfs/dbraw/zinc/11/02/00/569110200.db2.gz IXEVFQXGFXJONG-UHFFFAOYSA-N 0 0 432.402 2.891 50 0 IFAARN O=C(Cn1nc2c(N3CCCCCC3)nccn2c1=O)Nc1ccccc1C(F)(F)F ZINC000065151549 569111346 /nfs/dbraw/zinc/11/13/46/569111346.db2.gz CECAFPNDBNBRJL-UHFFFAOYSA-N 0 0 434.422 2.929 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1nc2c(Sc3cccc(C)c3)nccn2c1=O ZINC000065150933 569111606 /nfs/dbraw/zinc/11/16/06/569111606.db2.gz TVAVHIXDCOZTBU-UHFFFAOYSA-N 0 0 449.492 2.776 50 0 IFAARN COCCCNC(=O)CSc1nccc(N2CCN(c3cc(C)ccc3C)CC2)n1 ZINC000065151430 569111766 /nfs/dbraw/zinc/11/17/66/569111766.db2.gz GMGXHAZQUXJYKG-UHFFFAOYSA-N 0 0 429.590 2.665 50 0 IFAARN Cc1c(CCOC(=O)C23CC4CC(CC(C4)C2)C3)sc[n+]1CCCS(=O)(=O)[O-] ZINC000006962233 569113709 /nfs/dbraw/zinc/11/37/09/569113709.db2.gz BDXSJHHPYPIMPJ-UHFFFAOYSA-O 0 0 428.596 2.924 50 0 IFAARN CCCN1CCN(C(=O)C2=NN(c3ccc(Cl)cc3)c3ncccc3S2(=O)=O)CC1 ZINC000065183444 569113815 /nfs/dbraw/zinc/11/38/15/569113815.db2.gz NIYYGQMZYSPCQF-UHFFFAOYSA-N 0 0 447.948 2.528 50 0 IFAARN CC(C)N1CCN(C(=O)C2=NN(c3ccc(Cl)cc3)c3ncccc3S2(=O)=O)CC1 ZINC000065183445 569113852 /nfs/dbraw/zinc/11/38/52/569113852.db2.gz LMOMOFZPWVZNBC-UHFFFAOYSA-N 0 0 447.948 2.527 50 0 IFAARN Cc1ccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3cc(Cl)ccc32)cc1 ZINC000065183395 569113855 /nfs/dbraw/zinc/11/38/55/569113855.db2.gz ZVENHIOLTLEQNQ-UHFFFAOYSA-N 0 0 433.917 2.615 50 0 IFAARN CCc1nc2sc(C)nn2c1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000065183910 569113935 /nfs/dbraw/zinc/11/39/35/569113935.db2.gz QRPSSSBZJHQPOG-UHFFFAOYSA-N 0 0 425.967 2.826 50 0 IFAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc5c(c4)OCO5)ccn3n2)cc1 ZINC000065184262 569114076 /nfs/dbraw/zinc/11/40/76/569114076.db2.gz CMHKRUOUPVNUOB-UHFFFAOYSA-N 0 0 430.464 2.907 50 0 IFAARN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)o1 ZINC000065194140 569114767 /nfs/dbraw/zinc/11/47/67/569114767.db2.gz JVLSHZALJXXQHY-UHFFFAOYSA-N 0 0 429.546 2.820 50 0 IFAARN CCOc1cc(=O)c(C(=O)NCc2ccc3c(c2)OCO3)nn1-c1ccc(F)c(F)c1 ZINC000065198022 569114983 /nfs/dbraw/zinc/11/49/83/569114983.db2.gz RNDOGWPBHXALEL-UHFFFAOYSA-N 0 0 429.379 2.568 50 0 IFAARN O=C(NCc1cc(F)cc(F)c1)[C@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195535 569115426 /nfs/dbraw/zinc/11/54/26/569115426.db2.gz OLEQMAZWJZUWJY-KRWDZBQOSA-N 0 0 439.462 2.933 50 0 IFAARN CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(OC)cc4)CC3)nn2)cc1 ZINC000065195892 569115556 /nfs/dbraw/zinc/11/55/56/569115556.db2.gz FJMMOJAAHHACJV-UHFFFAOYSA-N 0 0 433.512 2.873 50 0 IFAARN CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C1 ZINC000065196108 569115576 /nfs/dbraw/zinc/11/55/76/569115576.db2.gz BYIXVECRANJGBF-UHFFFAOYSA-N 0 0 439.990 2.817 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4oc(C)nc4c3)C2)CC1 ZINC000065195673 569115592 /nfs/dbraw/zinc/11/55/92/569115592.db2.gz XRKOSUBKDPSJGB-KRWDZBQOSA-N 0 0 434.496 2.847 50 0 IFAARN O=C(C1CC1)N1CCc2sc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc2C1 ZINC000065196238 569115705 /nfs/dbraw/zinc/11/57/05/569115705.db2.gz GWHLQWRUSGUZBP-UHFFFAOYSA-N 0 0 449.573 2.693 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)Nc4cc(F)cc(F)c4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197116 569115861 /nfs/dbraw/zinc/11/58/61/569115861.db2.gz UVBCZPXSMRITRW-UHFFFAOYSA-N 0 0 438.390 2.624 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)Nc4ccc(C)cc4F)cc3c(=O)n(C)c2=O)cc1 ZINC000065197119 569115866 /nfs/dbraw/zinc/11/58/66/569115866.db2.gz ZOYKSOHFEPRWEV-UHFFFAOYSA-N 0 0 434.427 2.793 50 0 IFAARN COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(NC(=O)C5CC5)cn4)cn3)CC2)c1 ZINC000065197057 569115928 /nfs/dbraw/zinc/11/59/28/569115928.db2.gz ONELIWMKGMCFBV-UHFFFAOYSA-N 0 0 446.511 2.587 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)Nc4cc(F)ccc4C)cc3c(=O)n(C)c2=O)cc1 ZINC000065197122 569115929 /nfs/dbraw/zinc/11/59/29/569115929.db2.gz FBWCHRCIWQWAFJ-UHFFFAOYSA-N 0 0 434.427 2.793 50 0 IFAARN CC(=O)Nc1ccc(C(=O)NCCn2c3ncccc3n(Cc3ccccc3)c2=O)cc1 ZINC000065202853 569115985 /nfs/dbraw/zinc/11/59/85/569115985.db2.gz ISPIVHAIWCMXHR-UHFFFAOYSA-N 0 0 429.480 2.635 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)N[C@H](C)c4ccc(F)cc4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197176 569115991 /nfs/dbraw/zinc/11/59/91/569115991.db2.gz UUYJUFYLMMZKPI-CQSZACIVSA-N 0 0 448.454 2.723 50 0 IFAARN CN(C)c1ccc(NC(=O)Cn2nc(-c3nc(-c4cccc(F)c4)no3)ccc2=O)cc1 ZINC000065197500 569116022 /nfs/dbraw/zinc/11/60/22/569116022.db2.gz CLNVIIYLYZPBHT-UHFFFAOYSA-N 0 0 434.431 2.804 50 0 IFAARN O=C(NCCc1ccccn1)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1F)CC2 ZINC000065210627 569116312 /nfs/dbraw/zinc/11/63/12/569116312.db2.gz XPKSBKHBIAQEGK-UHFFFAOYSA-N 0 0 425.485 2.945 50 0 IFAARN O=C(Cn1ccc2ccc(N3CCOCC3)nc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065212089 569116678 /nfs/dbraw/zinc/11/66/78/569116678.db2.gz NROFBJGGMAYKDH-UHFFFAOYSA-N 0 0 439.947 2.875 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccccc3)c2=O)cc1 ZINC000065212525 569116788 /nfs/dbraw/zinc/11/67/88/569116788.db2.gz HBDOZRCLNWEOAG-UHFFFAOYSA-N 0 0 425.510 2.582 50 0 IFAARN O=C(Cn1ccc2ccc(N3CCOCC3)nc21)NCc1ccccc1Br ZINC000065212128 569116797 /nfs/dbraw/zinc/11/67/97/569116797.db2.gz NKKOXLCDEBRFCK-UHFFFAOYSA-N 0 0 429.318 2.952 50 0 IFAARN O=C(Cn1ccc2ccc(N3CCOCC3)nc21)NCc1ccc(Br)cc1 ZINC000065212109 569116801 /nfs/dbraw/zinc/11/68/01/569116801.db2.gz PYJHPRQIOUCURE-UHFFFAOYSA-N 0 0 429.318 2.952 50 0 IFAARN Cc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c2nc(C(C)C)sc21 ZINC000065212991 569116848 /nfs/dbraw/zinc/11/68/48/569116848.db2.gz LIEJJZLJDIKHRN-UHFFFAOYSA-N 0 0 429.521 2.773 50 0 IFAARN Cc1ccc(C)c(N2CCN(Cc3nc(-c4ccc(N5CCOCC5)nc4)no3)CC2)c1 ZINC000065216330 569117009 /nfs/dbraw/zinc/11/70/09/569117009.db2.gz YWGPOXQSZJSCAM-UHFFFAOYSA-N 0 0 434.544 2.907 50 0 IFAARN C[C@@H]1CCCN(c2ccc(-c3noc(CN4CCN(C(=O)c5ccco5)CC4)n3)cn2)C1 ZINC000065216111 569117060 /nfs/dbraw/zinc/11/70/60/569117060.db2.gz UKCYPFCVULUPFK-QGZVFWFLSA-N 0 0 436.516 2.919 50 0 IFAARN Cc1cccc(N2CCN(C(=O)Cn3ccc4ccc(N5CCOCC5)nc43)CC2)c1C ZINC000065212009 569117161 /nfs/dbraw/zinc/11/71/61/569117161.db2.gz FHKCXFFWVNWPLC-UHFFFAOYSA-N 0 0 433.556 2.839 50 0 IFAARN O=C(C1CCN(c2cncnc2N2CCCC2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065226386 569117842 /nfs/dbraw/zinc/11/78/42/569117842.db2.gz QJHPBHROTXYYIJ-UHFFFAOYSA-N 0 0 438.551 2.781 50 0 IFAARN Cc1ccc([C@@H](C)NC(=O)C2CCN(c3cncnc3N3CCN(C)CC3)CC2)c(C)c1 ZINC000065226914 569117995 /nfs/dbraw/zinc/11/79/95/569117995.db2.gz BTKHXVUOLVPGPF-HXUWFJFHSA-N 0 0 436.604 2.939 50 0 IFAARN CSc1ccc(CNC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1 ZINC000065226818 569118019 /nfs/dbraw/zinc/11/80/19/569118019.db2.gz YXKKDSITDBABKT-UHFFFAOYSA-N 0 0 427.574 2.568 50 0 IFAARN COc1ccc(CN2CC(=O)N(c3ccc(C(C)C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000036597111 569118796 /nfs/dbraw/zinc/11/87/96/569118796.db2.gz KFAIVIJYKNHWBC-YADHBBJMSA-N 0 0 428.554 2.833 50 0 IFAARN COc1cccc(S(=O)(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)c1 ZINC000065232369 569119023 /nfs/dbraw/zinc/11/90/23/569119023.db2.gz ZYBJAKRLMKFLCO-UHFFFAOYSA-N 0 0 433.530 2.796 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCCCC5)n4)ccn3n2)cc1 ZINC000065235982 569119560 /nfs/dbraw/zinc/11/95/60/569119560.db2.gz BAQLCMJOQQIZHM-UHFFFAOYSA-N 0 0 434.500 2.979 50 0 IFAARN O=C(NCc1cc(F)cc(F)c1)C1CCN(c2cc(N3CCSCC3)ncn2)CC1 ZINC000065237180 569119626 /nfs/dbraw/zinc/11/96/26/569119626.db2.gz KECGCSDPCYCFAM-UHFFFAOYSA-N 0 0 433.528 2.841 50 0 IFAARN O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)Nc1ccc(F)cc1Cl ZINC000065237486 569119770 /nfs/dbraw/zinc/11/97/70/569119770.db2.gz SCTFVAOMXJCEEC-UHFFFAOYSA-N 0 0 441.912 2.844 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)CC[C@H]2NC(=O)N(Cc3ccc(OC)cc3)C2=O)c1 ZINC000036589767 569121166 /nfs/dbraw/zinc/12/11/66/569121166.db2.gz AHHTZASPXDEEPT-LJQANCHMSA-N 0 0 439.468 2.916 50 0 IFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)ccc1OC)C(=O)OC ZINC000036594908 569121362 /nfs/dbraw/zinc/12/13/62/569121362.db2.gz YQDYWYLIQHDLLL-VIZZQPHQSA-N 0 0 430.505 2.672 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)ncn3)C2)C1 ZINC000065245370 569121719 /nfs/dbraw/zinc/12/17/19/569121719.db2.gz GNOCACOJUDAECK-ZWKOTPCHSA-N 0 0 429.565 2.849 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)ncn3)C2)CC1 ZINC000065245300 569121733 /nfs/dbraw/zinc/12/17/33/569121733.db2.gz CEMPMNQOIHHLPZ-KRWDZBQOSA-N 0 0 444.580 2.785 50 0 IFAARN Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2 ZINC000036615074 569122369 /nfs/dbraw/zinc/12/23/69/569122369.db2.gz KPCOJKSWQCSHHC-UHFFFAOYSA-N 0 0 441.426 2.968 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000036611318 569123473 /nfs/dbraw/zinc/12/34/73/569123473.db2.gz QDERLMSMIDZJNJ-NRFANRHFSA-N 0 0 431.533 2.745 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3scnc3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000036612236 569123600 /nfs/dbraw/zinc/12/36/00/569123600.db2.gz JBMBMDODNYFJFY-GANRHZMWSA-N 0 0 425.535 2.563 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3cnn(C)c3n2)cc1 ZINC000036613472 569123851 /nfs/dbraw/zinc/12/38/51/569123851.db2.gz GHWBGFVNKAMCOC-UHFFFAOYSA-N 0 0 445.479 2.835 50 0 IFAARN O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(C(=O)c2cccs2)CC1 ZINC000013127946 569125264 /nfs/dbraw/zinc/12/52/64/569125264.db2.gz UGEDKASLTRWSDR-UHFFFAOYSA-N 0 0 449.583 2.881 50 0 IFAARN COc1cc(C(=O)OCC(=O)N(C)Cc2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000013158108 569125789 /nfs/dbraw/zinc/12/57/89/569125789.db2.gz DCPWCRNOHFMIJO-UHFFFAOYSA-N 0 0 437.395 2.883 50 0 IFAARN Cc1c2c(nn1C)n(CCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)cc2C(F)(F)F ZINC000036621487 569126203 /nfs/dbraw/zinc/12/62/03/569126203.db2.gz YMRUEBCUCPECGQ-UHFFFAOYSA-N 0 0 436.390 2.862 50 0 IFAARN CSCC[C@@H](C(=O)N1CCO[C@H](c2ccccc2)C1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524733161 569127129 /nfs/dbraw/zinc/12/71/29/569127129.db2.gz AGHSABVYKYKRHD-PMACEKPBSA-N 0 0 439.537 2.996 50 0 IFAARN COCCN=C1Nc2ccccc2CN[C@@]12CCN(S(=O)(=O)c1cccc(Cl)c1)C2 ZINC000065265833 569127274 /nfs/dbraw/zinc/12/72/74/569127274.db2.gz RFDWVFQUUVJBFM-OAQYLSRUSA-N 0 0 448.976 2.543 50 0 IFAARN O=C(NCCCn1cccn1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000065270916 569127575 /nfs/dbraw/zinc/12/75/75/569127575.db2.gz XHUFBPXDMAXDLY-UHFFFAOYSA-N 0 0 444.470 2.853 50 0 IFAARN O=C(NCCCn1cccn1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000065270883 569127650 /nfs/dbraw/zinc/12/76/50/569127650.db2.gz BWLSWOTVLOXXJR-UHFFFAOYSA-N 0 0 426.480 2.714 50 0 IFAARN Cc1n[nH]c(C)c1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000524733854 569127960 /nfs/dbraw/zinc/12/79/60/569127960.db2.gz VZKYNGQGBPSALE-JOCHJYFZSA-N 0 0 429.480 2.848 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)ncn3)CC2)CC1 ZINC000065274294 569128325 /nfs/dbraw/zinc/12/83/25/569128325.db2.gz HZIXJPDIGIYZOL-UHFFFAOYSA-N 0 0 429.565 2.849 50 0 IFAARN C=C1C(N2CCC(NS(=O)(=O)c3ccccc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271893 569128726 /nfs/dbraw/zinc/12/87/26/569128726.db2.gz FARQQVJNMKVNTD-UHFFFAOYSA-N 0 0 445.566 2.602 50 0 IFAARN COC(=O)c1cccc(NC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c1 ZINC000065272816 569129201 /nfs/dbraw/zinc/12/92/01/569129201.db2.gz ARUBHUMMAHIUJZ-CQSZACIVSA-N 0 0 428.510 2.751 50 0 IFAARN CCOc1ccccc1CNC(=O)[C@H]1CCc2nc(N3CCN(C(C)=O)CC3)sc2C1 ZINC000065273433 569129529 /nfs/dbraw/zinc/12/95/29/569129529.db2.gz QRGIINZSSSMDFR-KRWDZBQOSA-N 0 0 442.585 2.632 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(OC)cc2)CC3)CC1 ZINC000065273477 569129638 /nfs/dbraw/zinc/12/96/38/569129638.db2.gz GTAKCHOMWMKWNT-HNNXBMFYSA-N 0 0 428.558 2.954 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCCc2cccs2)CC3)CC1 ZINC000065273555 569129787 /nfs/dbraw/zinc/12/97/87/569129787.db2.gz OVOPHOVRWMLXIZ-HNNXBMFYSA-N 0 0 432.615 2.727 50 0 IFAARN Cn1cc2c(n1)nc(C(=O)NCc1ccc(C(F)(F)F)cc1)nc2N1CCSCC1 ZINC000065284413 569130097 /nfs/dbraw/zinc/13/00/97/569130097.db2.gz PEBJLTJZNMCXIJ-UHFFFAOYSA-N 0 0 436.463 2.865 50 0 IFAARN CC[C@]1(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCN(C(=O)C(C)C)C1 ZINC000065292033 569130578 /nfs/dbraw/zinc/13/05/78/569130578.db2.gz YMZLAUXEFLJKDM-DEOSSOPVSA-N 0 0 447.645 2.909 50 0 IFAARN CC[C@@]1(N2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)CCN(C(=O)C(C)C)C1 ZINC000065292032 569130592 /nfs/dbraw/zinc/13/05/92/569130592.db2.gz NHWSXUPRIKSIKY-HSZRJFAPSA-N 0 0 444.601 2.578 50 0 IFAARN CC(C)c1nn(CC(=O)N2CCN(c3ccccc3)CC2)c(=O)c2c1cnn2C(C)(C)C ZINC000036665702 569130640 /nfs/dbraw/zinc/13/06/40/569130640.db2.gz SDJFXZSDIYYZOJ-UHFFFAOYSA-N 0 0 436.560 2.820 50 0 IFAARN CC(C)n1c2cnccc2nc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1=O ZINC000065292781 569130692 /nfs/dbraw/zinc/13/06/92/569130692.db2.gz ZSLRMJKYBQXFMP-UHFFFAOYSA-N 0 0 447.948 2.537 50 0 IFAARN COc1cccc(CC(=O)N2CCCN([C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000065293282 569130873 /nfs/dbraw/zinc/13/08/73/569130873.db2.gz ZEWFTESVIHIOGT-QHCPKHFHSA-N 0 0 439.531 2.712 50 0 IFAARN CC(C)Cn1c2nn(CC(=O)Nc3ccccc3Cl)c(=O)n2c2ccsc2c1=O ZINC000065305221 569133039 /nfs/dbraw/zinc/13/30/39/569133039.db2.gz FYMVKJBPVGMZIO-UHFFFAOYSA-N 0 0 431.905 2.821 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1nc2n(c3ccsc3c(=O)n2CC(C)C)c1=O ZINC000065305237 569133059 /nfs/dbraw/zinc/13/30/59/569133059.db2.gz ZSGXOGWSBTVKRX-UHFFFAOYSA-N 0 0 441.513 2.566 50 0 IFAARN Cc1ccc(C)c(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)c1 ZINC000065305248 569133061 /nfs/dbraw/zinc/13/30/61/569133061.db2.gz COGYMAKSUPRAJF-UHFFFAOYSA-N 0 0 425.514 2.784 50 0 IFAARN Cc1cccc(C)c1NC(=O)Cn1nc2n(c3ccsc3c(=O)n2CC(C)C)c1=O ZINC000065305259 569133077 /nfs/dbraw/zinc/13/30/77/569133077.db2.gz AKDYDQFKJYSCJK-UHFFFAOYSA-N 0 0 425.514 2.784 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)cc1C ZINC000065305227 569133097 /nfs/dbraw/zinc/13/30/97/569133097.db2.gz NVXNXFUFHBXWSL-UHFFFAOYSA-N 0 0 425.514 2.784 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3cc(C)ccc3OC)c(=O)n2c2ccsc2c1=O ZINC000065305371 569133193 /nfs/dbraw/zinc/13/31/93/569133193.db2.gz DSDGNXNMXPAATR-UHFFFAOYSA-N 0 0 441.513 2.628 50 0 IFAARN CC(C)c1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nc2nncn21 ZINC000065311930 569133623 /nfs/dbraw/zinc/13/36/23/569133623.db2.gz CUKPRUATDLFQCH-UHFFFAOYSA-N 0 0 429.322 2.973 50 0 IFAARN CCc1nnc2nc(N3CCN(C(=O)Cc4ccc(OC)c(Cl)c4)CC3)cc(C)n12 ZINC000065311861 569133628 /nfs/dbraw/zinc/13/36/28/569133628.db2.gz YMTOBTKRDXHJIM-UHFFFAOYSA-N 0 0 428.924 2.548 50 0 IFAARN CCCc1cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2nnc(C)n21 ZINC000065312032 569133649 /nfs/dbraw/zinc/13/36/49/569133649.db2.gz XFQHGTCQYYNVSD-UHFFFAOYSA-N 0 0 428.924 2.766 50 0 IFAARN CCc1nnc2nc(N3CCN(C(=O)c4ccc(Br)cc4)CC3)cc(C)n12 ZINC000065311819 569133673 /nfs/dbraw/zinc/13/36/73/569133673.db2.gz JSHOWVIMJTXQCK-UHFFFAOYSA-N 0 0 429.322 2.720 50 0 IFAARN O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)NCc1ccc(F)cc1 ZINC000065315256 569133913 /nfs/dbraw/zinc/13/39/13/569133913.db2.gz XYAZFVHESWNQCM-UHFFFAOYSA-N 0 0 443.548 2.519 50 0 IFAARN Cc1ccccc1NS(=O)(=O)c1cc(-c2noc(C(=O)N3CCOCC3)n2)ccc1C ZINC000065319021 569134636 /nfs/dbraw/zinc/13/46/36/569134636.db2.gz UTBSWGUWQPASGB-UHFFFAOYSA-N 0 0 442.497 2.627 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)ccc2C)cc1 ZINC000065319051 569134674 /nfs/dbraw/zinc/13/46/74/569134674.db2.gz FEZQIWOCKITTQQ-UHFFFAOYSA-N 0 0 442.497 2.627 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nnc4c(Cl)cccn43)C2)c(OC)c1 ZINC000065312719 569135010 /nfs/dbraw/zinc/13/50/10/569135010.db2.gz MPUKINVAHDQMKU-HNNXBMFYSA-N 0 0 429.908 2.933 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)cc1OC ZINC000065312938 569135014 /nfs/dbraw/zinc/13/50/14/569135014.db2.gz HZOMTBCAOSMVMD-OAHLLOKOSA-N 0 0 429.908 2.933 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)c1 ZINC000065312932 569135046 /nfs/dbraw/zinc/13/50/46/569135046.db2.gz PJOFULNPSHUQIG-CQSZACIVSA-N 0 0 429.908 2.933 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065313959 569135377 /nfs/dbraw/zinc/13/53/77/569135377.db2.gz UMUNWPSXDPXPQH-IBGZPJMESA-N 0 0 446.507 2.918 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)cc1 ZINC000065314074 569135440 /nfs/dbraw/zinc/13/54/40/569135440.db2.gz ZWMDZMQEDIAGKG-NRFANRHFSA-N 0 0 432.524 2.833 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314092 569135472 /nfs/dbraw/zinc/13/54/72/569135472.db2.gz CJGFPYGKCDKBCL-HXUWFJFHSA-N 0 0 446.507 2.553 50 0 IFAARN COc1ccc2c(c1)CCN(C(=O)c1cc(-c3ccco3)n([C@H]3CCS(=O)(=O)C3)n1)C2 ZINC000036708438 569135848 /nfs/dbraw/zinc/13/58/48/569135848.db2.gz ZIVCYEMLJQXMAF-KRWDZBQOSA-N 0 0 441.509 2.710 50 0 IFAARN O=C(CSc1cc(N2CCN(c3ccccc3F)CC2)ncn1)NCc1ccco1 ZINC000036708508 569135905 /nfs/dbraw/zinc/13/59/05/569135905.db2.gz DJAHTJRIISCKOO-UHFFFAOYSA-N 0 0 427.505 2.944 50 0 IFAARN O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000065500771 569138829 /nfs/dbraw/zinc/13/88/29/569138829.db2.gz WBNWVUHYFDJTFT-FQEVSTJZSA-N 0 0 438.505 2.957 50 0 IFAARN O=C(Nc1ccc(F)c(N2CCCC2=O)c1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000065499854 569138860 /nfs/dbraw/zinc/13/88/60/569138860.db2.gz QPEVEJFTDQKJPV-PKOBYXMFSA-N 0 0 445.491 2.873 50 0 IFAARN O=C(Nc1ccc(F)c(N2CCCC2=O)c1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000065499860 569138876 /nfs/dbraw/zinc/13/88/76/569138876.db2.gz QPEVEJFTDQKJPV-HKUYNNGSSA-N 0 0 445.491 2.873 50 0 IFAARN Cc1ccc(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)cc1 ZINC000065501944 569138908 /nfs/dbraw/zinc/13/89/08/569138908.db2.gz IINYRCOWURVVHD-UHFFFAOYSA-N 0 0 448.548 2.960 50 0 IFAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000065505257 569138912 /nfs/dbraw/zinc/13/89/12/569138912.db2.gz RGXHNRNFCSUPSD-UHFFFAOYSA-N 0 0 441.557 2.899 50 0 IFAARN COc1cc(OC)c(OC)cc1CNC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 ZINC000007414486 569140061 /nfs/dbraw/zinc/14/00/61/569140061.db2.gz KRHBFKDKNFLPCN-UHFFFAOYSA-N 0 0 425.489 2.806 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N(C2=CCCCC2)C2CC2)C1=O ZINC000007470922 569140798 /nfs/dbraw/zinc/14/07/98/569140798.db2.gz LYWHEIBOBJFNEN-HSZRJFAPSA-N 0 0 425.485 2.674 50 0 IFAARN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000170596855 569141910 /nfs/dbraw/zinc/14/19/10/569141910.db2.gz MBRLCTOYRQEFIV-NVXWUHKLSA-N 0 0 439.478 2.960 50 0 IFAARN CCOc1ccc(CN(C)C(=O)CN2CCCN(Cc3ccc(OC)cc3)C(=O)C2)cc1 ZINC000170597071 569142170 /nfs/dbraw/zinc/14/21/70/569142170.db2.gz WFKZRQAIDOEXKX-UHFFFAOYSA-N 0 0 439.556 2.787 50 0 IFAARN CCOC(=O)[C@@H](NCC(=O)Nc1cc(C(=O)OC)ccc1C)c1ccc(OC)c(F)c1 ZINC000170599685 569142575 /nfs/dbraw/zinc/14/25/75/569142575.db2.gz DAMAIXFJXVQWND-FQEVSTJZSA-N 0 0 432.448 2.762 50 0 IFAARN O=C(NCc1nc(C(F)(F)F)n[nH]1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000170599773 569142589 /nfs/dbraw/zinc/14/25/89/569142589.db2.gz HFADDIHBYMWSNE-UHFFFAOYSA-N 0 0 443.382 2.693 50 0 IFAARN CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H](C[S@](C)=O)c1ccccc1)c1cnn(C)c1 ZINC000170600268 569142618 /nfs/dbraw/zinc/14/26/18/569142618.db2.gz FCAVROKCEVKNSG-ITYGUNAYSA-N 0 0 434.562 2.564 50 0 IFAARN CN1C[C@@H](CNC(=O)CN2C(=O)COc3cc(Br)ccc32)Cc2ccccc21 ZINC000170602414 569143283 /nfs/dbraw/zinc/14/32/83/569143283.db2.gz FIJLXKUYQLMJMM-CQSZACIVSA-N 0 0 444.329 2.599 50 0 IFAARN CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCc2nc(-c3ccco3)n[nH]2)C1(C)C ZINC000170602258 569143477 /nfs/dbraw/zinc/14/34/77/569143477.db2.gz NZBIDGBQSKLTTQ-NYHFZMIOSA-N 0 0 447.536 2.822 50 0 IFAARN CO[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC[C@@H]1C ZINC000170603472 569143501 /nfs/dbraw/zinc/14/35/01/569143501.db2.gz UXJOUDXQJWVKLV-WMLDXEAASA-N 0 0 448.507 2.990 50 0 IFAARN C[C@](O)(CNc1cc(NC[C@](C)(O)c2ccsc2)n2ncnc2n1)c1ccsc1 ZINC000170603436 569143529 /nfs/dbraw/zinc/14/35/29/569143529.db2.gz DLOIWHRBXODWAC-OALUTQOASA-N 0 0 430.559 2.887 50 0 IFAARN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000170605907 569143859 /nfs/dbraw/zinc/14/38/59/569143859.db2.gz TWEWTOPRBNFUPJ-IBGZPJMESA-N 0 0 434.496 2.628 50 0 IFAARN CC(=O)c1cccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)c1 ZINC000037263737 569144540 /nfs/dbraw/zinc/14/45/40/569144540.db2.gz YRDFSSNKHDSUJV-UHFFFAOYSA-N 0 0 445.450 2.811 50 0 IFAARN CO[C@H](C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1ccccc1 ZINC000170610479 569144909 /nfs/dbraw/zinc/14/49/09/569144909.db2.gz SZYLQAZHZACGDS-IBGZPJMESA-N 0 0 427.505 2.860 50 0 IFAARN COc1cc(I)c(Cl)cc1C(=O)N[C@@H](CO)Cc1ccccn1 ZINC000170610158 569145013 /nfs/dbraw/zinc/14/50/13/569145013.db2.gz IBSZHEPBKDHKFK-LLVKDONJSA-N 0 0 446.672 2.682 50 0 IFAARN COc1cccc(NC2CCN(c3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)CC2)c1 ZINC000170624890 569148145 /nfs/dbraw/zinc/14/81/45/569148145.db2.gz PYSFMEBLYJNFSM-UHFFFAOYSA-N 0 0 438.571 2.583 50 0 IFAARN O=C(NC1CC1)c1nnn(-c2ccc(NC(=O)c3ccccc3Br)cc2)n1 ZINC000071000851 569149203 /nfs/dbraw/zinc/14/92/03/569149203.db2.gz IXPROURMIGJNFY-UHFFFAOYSA-N 0 0 427.262 2.569 50 0 IFAARN O=C(CSc1ccc2c(c1)OCCO2)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009883066 569149843 /nfs/dbraw/zinc/14/98/43/569149843.db2.gz MRPHSFHEHHCKCX-INIZCTEOSA-N 0 0 425.572 2.898 50 0 IFAARN O=C(CSc1ccc2c(c1)OCCO2)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009883065 569149846 /nfs/dbraw/zinc/14/98/46/569149846.db2.gz MRPHSFHEHHCKCX-MRXNPFEDSA-N 0 0 425.572 2.898 50 0 IFAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1 ZINC000009883564 569150114 /nfs/dbraw/zinc/15/01/14/569150114.db2.gz NLZCIPNEVYZNAS-UHFFFAOYSA-N 0 0 444.451 2.941 50 0 IFAARN CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)[C@H]1CCCc2ccccc21 ZINC000009884264 569150368 /nfs/dbraw/zinc/15/03/68/569150368.db2.gz OSASQRIDCHXHTP-UUOWRZLLSA-N 0 0 435.480 2.718 50 0 IFAARN NC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000009910074 569150460 /nfs/dbraw/zinc/15/04/60/569150460.db2.gz XMFBIDDJJYNOAA-GOSISDBHSA-N 0 0 447.582 2.611 50 0 IFAARN Cc1ccc(NC(=O)Cc2nc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)cs2)cc1 ZINC000009908826 569150598 /nfs/dbraw/zinc/15/05/98/569150598.db2.gz KXWZEUPJBKPFBS-UHFFFAOYSA-N 0 0 426.498 2.866 50 0 IFAARN COc1cccc(NC(=O)C[C@@H](C[NH+]2CCN(c3cccc(OC)c3)CC2)C(=O)[O-])c1 ZINC000071283367 569150670 /nfs/dbraw/zinc/15/06/70/569150670.db2.gz ZWKKQWQLIUUOHS-KRWDZBQOSA-N 0 0 427.501 2.555 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)c1ccc2c(c1)CCCC2 ZINC000009909177 569150709 /nfs/dbraw/zinc/15/07/09/569150709.db2.gz DFFNQWBMLTVKLK-BZQUYTCOSA-N 0 0 449.507 2.939 50 0 IFAARN COc1ccc2cnn(CC(=O)NCCn3ccc4ccc(Cl)cc43)c(=O)c2c1OC ZINC000071283836 569150823 /nfs/dbraw/zinc/15/08/23/569150823.db2.gz MGEOLVHNAZQXKE-UHFFFAOYSA-N 0 0 440.887 2.838 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)Cn3nc(-c4cccc(OC)c4)ccc3=O)c2c1 ZINC000071288163 569150922 /nfs/dbraw/zinc/15/09/22/569150922.db2.gz YNZUDTJWBKTDEU-UHFFFAOYSA-N 0 0 432.480 2.768 50 0 IFAARN COCCCN1C(=O)c2ccc(C(=O)NCCn3ccc4c3cccc4OC)cc2C1=O ZINC000071282650 569151012 /nfs/dbraw/zinc/15/10/12/569151012.db2.gz CTBNMAYMGBBOEH-UHFFFAOYSA-N 0 0 435.480 2.712 50 0 IFAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000010026073 569151653 /nfs/dbraw/zinc/15/16/53/569151653.db2.gz RUOSRPGWBDGAQN-LJQANCHMSA-N 0 0 429.498 2.832 50 0 IFAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000010026952 569151696 /nfs/dbraw/zinc/15/16/96/569151696.db2.gz MSQIWZKIFDKTID-NSHDSACASA-N 0 0 438.485 2.985 50 0 IFAARN COC(=O)C1CCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)CC1 ZINC000010220905 569153049 /nfs/dbraw/zinc/15/30/49/569153049.db2.gz OHLLFWGAWHRDQG-UHFFFAOYSA-N 0 0 448.932 2.623 50 0 IFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)NCc1ccccc1Cl ZINC000010216893 569153122 /nfs/dbraw/zinc/15/31/22/569153122.db2.gz QVYCXSURZNLLIS-UHFFFAOYSA-N 0 0 446.960 2.647 50 0 IFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(OCC)cc1 ZINC000010216715 569153155 /nfs/dbraw/zinc/15/31/55/569153155.db2.gz BXDJOMBVSWTCCF-UHFFFAOYSA-N 0 0 442.541 2.714 50 0 IFAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000010218052 569153373 /nfs/dbraw/zinc/15/33/73/569153373.db2.gz QPMRCXAWJNTSSR-UHFFFAOYSA-N 0 0 444.553 2.834 50 0 IFAARN O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000010219058 569153603 /nfs/dbraw/zinc/15/36/03/569153603.db2.gz KKPLYEZCDPJKLE-UHFFFAOYSA-N 0 0 446.558 2.605 50 0 IFAARN C[C@H]1C[C@H](NC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)CC(C)(C)C1 ZINC000010219679 569153817 /nfs/dbraw/zinc/15/38/17/569153817.db2.gz WWDUYCDOJXDBMC-GJZGRUSLSA-N 0 0 444.557 2.570 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n(C[C@@H]3CCCO3)c3c2CCC3)cc1 ZINC000010255279 569154042 /nfs/dbraw/zinc/15/40/42/569154042.db2.gz GLHJIXJJIHIYSH-KRWDZBQOSA-N 0 0 442.541 2.600 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n(C[C@H]3CCCO3)c3c2CCC3)cc1 ZINC000010255282 569154055 /nfs/dbraw/zinc/15/40/55/569154055.db2.gz GLHJIXJJIHIYSH-QGZVFWFLSA-N 0 0 442.541 2.600 50 0 IFAARN COc1cn(CC(=O)Nc2ccc(C(C)=O)cc2)c(CSc2nccn2C)cc1=O ZINC000010254713 569154192 /nfs/dbraw/zinc/15/41/92/569154192.db2.gz VHTBRYOJIBCGEV-UHFFFAOYSA-N 0 0 426.498 2.724 50 0 IFAARN COc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(CSc2nnc(C)s2)cc1=O ZINC000010254783 569154202 /nfs/dbraw/zinc/15/42/02/569154202.db2.gz LDUJCQAUNWJQQX-UHFFFAOYSA-N 0 0 446.510 2.677 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)c(OC)c1 ZINC000010254889 569154358 /nfs/dbraw/zinc/15/43/58/569154358.db2.gz WTSLNFAYXJBATJ-UHFFFAOYSA-N 0 0 442.497 2.595 50 0 IFAARN Cc1ccc(Cn2c(SCC(=O)c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000010386008 569154450 /nfs/dbraw/zinc/15/44/50/569154450.db2.gz KOQWQIVPVRLSNR-UHFFFAOYSA-N 0 0 434.521 2.765 50 0 IFAARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000010499722 569154766 /nfs/dbraw/zinc/15/47/66/569154766.db2.gz QTPQTACNWHLZFN-AWEZNQCLSA-N 0 0 426.498 2.997 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)CC1 ZINC000013695003 569156536 /nfs/dbraw/zinc/15/65/36/569156536.db2.gz ZPRLRSDASHHJSA-UHFFFAOYSA-N 0 0 433.555 2.561 50 0 IFAARN COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@@H]2CCCO2)CC3)cc1 ZINC000013696833 569156584 /nfs/dbraw/zinc/15/65/84/569156584.db2.gz YCRCUFCCLVXZDW-NRFANRHFSA-N 0 0 430.526 2.748 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000013810001 569157107 /nfs/dbraw/zinc/15/71/07/569157107.db2.gz ZFKRAQMLLKSJCD-MRCZTLKWSA-N 0 0 448.500 2.527 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000013810000 569157121 /nfs/dbraw/zinc/15/71/21/569157121.db2.gz ZFKRAQMLLKSJCD-ZNQKWNQWSA-N 0 0 448.500 2.527 50 0 IFAARN CCOc1ccc(-c2cc(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)cn2)cc1 ZINC000013809129 569157185 /nfs/dbraw/zinc/15/71/85/569157185.db2.gz VAJUZZVHPKZWAI-UHFFFAOYSA-N 0 0 437.496 2.685 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 ZINC000014246903 569158326 /nfs/dbraw/zinc/15/83/26/569158326.db2.gz FVNCNYRKGOYSJX-UHFFFAOYSA-N 0 0 442.534 2.573 50 0 IFAARN Cc1nn(C)c2sc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)cc12 ZINC000014342481 569158679 /nfs/dbraw/zinc/15/86/79/569158679.db2.gz ZYIVORJQNIEFSP-UHFFFAOYSA-N 0 0 432.571 2.707 50 0 IFAARN CCOc1ccccc1OCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000014572876 569159377 /nfs/dbraw/zinc/15/93/77/569159377.db2.gz SETKQEATKQCIIN-QGZVFWFLSA-N 0 0 437.496 2.908 50 0 IFAARN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000089651171 569160538 /nfs/dbraw/zinc/16/05/38/569160538.db2.gz MMALDCWFEOGXKT-KRWDZBQOSA-N 0 0 446.554 2.709 50 0 IFAARN Cc1cnc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)nc1 ZINC000089702264 569161722 /nfs/dbraw/zinc/16/17/22/569161722.db2.gz QUJDOXCLIBUDSD-UHFFFAOYSA-N 0 0 436.965 2.976 50 0 IFAARN CCC(CC)C(=O)N1CCN(C(=O)c2cn(CC)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000016838969 569162933 /nfs/dbraw/zinc/16/29/33/569162933.db2.gz NNQIPMRHJXMZEE-UHFFFAOYSA-N 0 0 449.555 2.879 50 0 IFAARN Cc1ccccc1CN1CCCN(CC(=O)N[C@H](C)CCc2ccccc2)S1(=O)=O ZINC000016840400 569163098 /nfs/dbraw/zinc/16/30/98/569163098.db2.gz KDWCADXAPMWEEF-HXUWFJFHSA-N 0 0 429.586 2.885 50 0 IFAARN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3)nc2O)cc1 ZINC000016840680 569163155 /nfs/dbraw/zinc/16/31/55/569163155.db2.gz PVKYPRYFOAAHJG-UHFFFAOYSA-N 0 0 431.495 2.754 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3nccnc32)c(C)c1 ZINC000016841875 569163327 /nfs/dbraw/zinc/16/33/27/569163327.db2.gz RTPWTDBACZBABT-UHFFFAOYSA-N 0 0 449.898 2.910 50 0 IFAARN COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)cc1 ZINC000016841848 569163385 /nfs/dbraw/zinc/16/33/85/569163385.db2.gz CKIIALNYSCNRQL-UHFFFAOYSA-N 0 0 436.540 2.693 50 0 IFAARN O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccn3)CC2)nn1 ZINC000016843707 569163700 /nfs/dbraw/zinc/16/37/00/569163700.db2.gz HWSAJXZFUKXRFA-UHFFFAOYSA-N 0 0 429.933 2.826 50 0 IFAARN COc1cccc2sc(N(Cc3cccnc3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)nc21 ZINC000016847957 569164277 /nfs/dbraw/zinc/16/42/77/569164277.db2.gz SIMOHURLQPPFGZ-HNNXBMFYSA-N 0 0 446.554 2.657 50 0 IFAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 ZINC000016847962 569164291 /nfs/dbraw/zinc/16/42/91/569164291.db2.gz CTLIENQCWPAYPJ-MRXNPFEDSA-N 0 0 434.518 2.788 50 0 IFAARN COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)c(OC)c1 ZINC000016851181 569164838 /nfs/dbraw/zinc/16/48/38/569164838.db2.gz BZYSLVQJORYLOK-UHFFFAOYSA-N 0 0 428.470 2.672 50 0 IFAARN COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(OC)cc3OC)CCOCC2)cc1 ZINC000016856863 569165029 /nfs/dbraw/zinc/16/50/29/569165029.db2.gz XPVVNQMWIUBUAO-UHFFFAOYSA-N 0 0 428.485 2.516 50 0 IFAARN O=C(Cc1ccccc1Cl)N1CCN(C(=O)NCCc2cnc(C3CC3)nc2)CC1 ZINC000089813506 569165080 /nfs/dbraw/zinc/16/50/80/569165080.db2.gz QBYGGUWXINZZGD-UHFFFAOYSA-N 0 0 427.936 2.646 50 0 IFAARN CC(C)C[C@H](NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)c1nc(-c2nc[nH]n2)no1 ZINC000089821074 569165195 /nfs/dbraw/zinc/16/51/95/569165195.db2.gz RNAWCOWLQSTIEV-NSHDSACASA-N 0 0 446.320 2.809 50 0 IFAARN O=C(COc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000089814457 569165255 /nfs/dbraw/zinc/16/52/55/569165255.db2.gz YKZUYAOJBBRYJB-UHFFFAOYSA-N 0 0 429.325 2.905 50 0 IFAARN COc1ccccc1C(=O)N1CC2(C)CN(C(=O)c3ccccc3OC)CC(C)(C1)C2=O ZINC000016888943 569165514 /nfs/dbraw/zinc/16/55/14/569165514.db2.gz VNXIQFJRCDZBDS-UHFFFAOYSA-N 0 0 436.508 2.897 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCc2ccccc21 ZINC000089861281 569166182 /nfs/dbraw/zinc/16/61/82/569166182.db2.gz ZBWNGAUHBWMQFG-UHFFFAOYSA-N 0 0 428.510 2.607 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)c1ccc([S@@](C)=O)cc1 ZINC000089904876 569167211 /nfs/dbraw/zinc/16/72/11/569167211.db2.gz JISNVGFEPRTYPA-LBNMNUBVSA-N 0 0 434.558 2.583 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)C(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 ZINC000016955252 569167564 /nfs/dbraw/zinc/16/75/64/569167564.db2.gz IESDGGQPGQPUES-HXUWFJFHSA-N 0 0 431.920 2.867 50 0 IFAARN COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccc(F)c2)cc1 ZINC000016955077 569167582 /nfs/dbraw/zinc/16/75/82/569167582.db2.gz CQTSOJMMDHECIF-UHFFFAOYSA-N 0 0 439.472 2.675 50 0 IFAARN COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccc(F)cc2)cc1 ZINC000016955074 569167585 /nfs/dbraw/zinc/16/75/85/569167585.db2.gz LTMVGNMHXFUZGZ-UHFFFAOYSA-N 0 0 439.472 2.675 50 0 IFAARN COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000089919281 569167637 /nfs/dbraw/zinc/16/76/37/569167637.db2.gz WNSCZWSGMRWXFJ-UZLBHIALSA-N 0 0 442.965 2.976 50 0 IFAARN C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000089930223 569167928 /nfs/dbraw/zinc/16/79/28/569167928.db2.gz KMJKZDCFYYZHCX-KZNAEPCWSA-N 0 0 443.510 2.770 50 0 IFAARN COc1ccc(-c2nc3c([nH]c(=O)n3-c3ccc(Cl)cc3)c(C(N)=O)n2)cc1OC ZINC000016960081 569168070 /nfs/dbraw/zinc/16/80/70/569168070.db2.gz MYLRMOVWHJKGRY-UHFFFAOYSA-N 0 0 425.832 2.545 50 0 IFAARN CCCCn1c2nc(COc3cc4oc(=O)cc(C)c4cc3Cl)n(C)c2c(=O)[nH]c1=O ZINC000089955459 569168803 /nfs/dbraw/zinc/16/88/03/569168803.db2.gz DVRFQDJGGNVTCE-UHFFFAOYSA-N 0 0 444.875 2.871 50 0 IFAARN Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000017041430 569171532 /nfs/dbraw/zinc/17/15/32/569171532.db2.gz FDINOQCWTUCSSV-UHFFFAOYSA-N 0 0 442.516 2.870 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2c(F)cccc2F)CC3)cc1 ZINC000017050850 569171784 /nfs/dbraw/zinc/17/17/84/569171784.db2.gz XDSFGQTWBURMGR-UHFFFAOYSA-N 0 0 436.480 2.927 50 0 IFAARN Cc1ccccc1-c1nc2scc(CCNC(=O)C(=O)Nc3ccc4c(c3)OCO4)n2n1 ZINC000017136111 569174507 /nfs/dbraw/zinc/17/45/07/569174507.db2.gz KQCGMXUCFSVPOU-UHFFFAOYSA-N 0 0 449.492 2.792 50 0 IFAARN COc1ccc(CCNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC000017154898 569175007 /nfs/dbraw/zinc/17/50/07/569175007.db2.gz NAVHUQFYOXJUHR-UHFFFAOYSA-N 0 0 431.286 2.803 50 0 IFAARN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000170635441 569176315 /nfs/dbraw/zinc/17/63/15/569176315.db2.gz IPJULFGCTBZTNR-KDOFPFPSSA-N 0 0 425.872 2.537 50 0 IFAARN O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000170635442 569176343 /nfs/dbraw/zinc/17/63/43/569176343.db2.gz IPJULFGCTBZTNR-KSSFIOAISA-N 0 0 425.872 2.537 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000002878039 569177694 /nfs/dbraw/zinc/17/76/94/569177694.db2.gz CNNHQAUQCAPKOB-MRXNPFEDSA-N 0 0 446.525 2.814 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000002878040 569177713 /nfs/dbraw/zinc/17/77/13/569177713.db2.gz CNNHQAUQCAPKOB-INIZCTEOSA-N 0 0 446.525 2.814 50 0 IFAARN CCO[C@H]1C[C@@H](N(C)C(=O)CN2C(=O)COc3cc(Br)ccc32)C1(C)C ZINC000170636654 569178205 /nfs/dbraw/zinc/17/82/05/569178205.db2.gz IDUXWCYYBVWUEC-CVEARBPZSA-N 0 0 425.323 2.837 50 0 IFAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000170637734 569178455 /nfs/dbraw/zinc/17/84/55/569178455.db2.gz VOVVWBOKPRJHBO-UHFFFAOYSA-N 0 0 426.292 2.997 50 0 IFAARN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002092946 569178914 /nfs/dbraw/zinc/17/89/14/569178914.db2.gz BJUDTNWKMRPVDS-PBASOCQRSA-N 0 0 436.556 2.503 50 0 IFAARN COc1ccc(CCN2CC(=O)N3CCCC(c4cc(O)ccc4O)=C3C2=O)cc1OC ZINC000002098902 569179563 /nfs/dbraw/zinc/17/95/63/569179563.db2.gz ROCAULGGQCQUSF-UHFFFAOYSA-N 0 0 438.480 2.533 50 0 IFAARN CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1ccc(I)cc1 ZINC000170640774 569181453 /nfs/dbraw/zinc/18/14/53/569181453.db2.gz IDIVHCCMYOWRMQ-ZDUSSCGKSA-N 0 0 432.258 2.866 50 0 IFAARN C[C@@H](NC(=O)CC[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)c1nnc2ccccn21 ZINC000252483481 569186615 /nfs/dbraw/zinc/18/66/15/569186615.db2.gz FCGOSRMZNCRWLG-CZUORRHYSA-N 0 0 440.891 2.665 50 0 IFAARN Cn1c2ccccc2nc1[C@@H](Cc1ccccc1)NC(=O)CCCNC(=O)c1cnccn1 ZINC000252488959 569186697 /nfs/dbraw/zinc/18/66/97/569186697.db2.gz JCUAXNKSWFGDGJ-HXUWFJFHSA-N 0 0 442.523 2.974 50 0 IFAARN COc1ccc(OCC(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CS(=O)(=O)C3)cc1 ZINC000012033011 569188633 /nfs/dbraw/zinc/18/86/33/569188633.db2.gz ZIEICJQWAZQHJE-UHFFFAOYSA-N 0 0 441.509 2.944 50 0 IFAARN COc1ccccc1OCCNC(=O)CCN1C=Cc2cc(OC)c(OC)cc2CC1=O ZINC000524735645 569188752 /nfs/dbraw/zinc/18/87/52/569188752.db2.gz PMXCFWHHQNWPHM-UHFFFAOYSA-N 0 0 440.496 2.653 50 0 IFAARN CCOC(=O)c1sc(NC(=O)CC[C@H]2NC(=O)N(Cc3ccccc3)C2=O)nc1C ZINC000252539497 569190217 /nfs/dbraw/zinc/19/02/17/569190217.db2.gz ODDQKIQNANOGCV-CQSZACIVSA-N 0 0 430.486 2.672 50 0 IFAARN CC(C)Oc1ccc(-c2noc(CNC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)n2)cc1 ZINC000252570410 569191025 /nfs/dbraw/zinc/19/10/25/569191025.db2.gz WRRQELWYERUHMA-GOSISDBHSA-N 0 0 449.467 2.930 50 0 IFAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000252585130 569191141 /nfs/dbraw/zinc/19/11/41/569191141.db2.gz GJQWOFWQNXMFMM-WSTZPKSXSA-N 0 0 427.545 2.692 50 0 IFAARN COc1ccc(S(=O)(=O)Oc2cc(CN(C[C@@H]3CCCO3)C(C)=O)ccc2OC)cc1 ZINC000037399958 569194860 /nfs/dbraw/zinc/19/48/60/569194860.db2.gz XGMYXHDLONKABU-IBGZPJMESA-N 0 0 449.525 2.999 50 0 IFAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2F)cc1OS(C)(=O)=O ZINC000037400356 569194944 /nfs/dbraw/zinc/19/49/44/569194944.db2.gz XIMMWHLLZACYNR-MRXNPFEDSA-N 0 0 437.489 2.994 50 0 IFAARN COc1cc(C(=O)NCc2noc(-c3ccccc3C)n2)cc(Cl)c1OCC(N)=O ZINC000170678927 569195338 /nfs/dbraw/zinc/19/53/38/569195338.db2.gz NYTMMKLOOLUWMS-UHFFFAOYSA-N 0 0 430.848 2.501 50 0 IFAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@@H](c2ccc(F)cc2)SCC1=O ZINC000037424835 569195682 /nfs/dbraw/zinc/19/56/82/569195682.db2.gz AGZSQRZXSNLBLI-LJQANCHMSA-N 0 0 448.564 2.789 50 0 IFAARN COc1ccc(Nc2nc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)cs2)cc1 ZINC000037426011 569195831 /nfs/dbraw/zinc/19/58/31/569195831.db2.gz HTXRCCXBWARAPT-OAHLLOKOSA-N 0 0 430.530 2.606 50 0 IFAARN CCOC(=O)C1CCN(C(=O)Cn2c(C)c(C)s/c2=N\C(=O)c2ccc(F)cc2)CC1 ZINC000037428195 569196039 /nfs/dbraw/zinc/19/60/39/569196039.db2.gz IMVCAQRWDLUJLQ-GYHWCHFESA-N 0 0 447.532 2.848 50 0 IFAARN CCN1CCN(C(=O)c2ccc(Cn3c(C)cs/c3=N\C(=O)c3ccco3)o2)CC1 ZINC000037437002 569196248 /nfs/dbraw/zinc/19/62/48/569196248.db2.gz WMGBXPYBWBXXRW-DQRAZIAOSA-N 0 0 428.514 2.611 50 0 IFAARN O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3Cl)cc21)NCC1CC1 ZINC000037512633 569198042 /nfs/dbraw/zinc/19/80/42/569198042.db2.gz VKAKYZFWCYDKBW-UHFFFAOYSA-N 0 0 446.862 2.992 50 0 IFAARN CCn1c(=O)c2c(ncn2Cc2cccc(C(=O)OC)c2)n(-c2ccccc2Cl)c1=O ZINC000037559167 569200827 /nfs/dbraw/zinc/20/08/27/569200827.db2.gz KJYFAJVUYOENKA-UHFFFAOYSA-N 0 0 438.871 2.857 50 0 IFAARN Cc1ccc(CN2CCCn3nc(C(=O)N[C@@H](C)C(=O)NCCC(C)C)cc3C2=O)cc1 ZINC000037578205 569201542 /nfs/dbraw/zinc/20/15/42/569201542.db2.gz UDCYTVOUYGBFMP-SFHVURJKSA-N 0 0 439.560 2.518 50 0 IFAARN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccncc4)c(=O)n32)c1 ZINC000252623997 569202608 /nfs/dbraw/zinc/20/26/08/569202608.db2.gz PDYHPNBIOPMYRX-OAQYLSRUSA-N 0 0 449.532 2.590 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)OCCOC)sc1NC(=O)CN1CCC[C@H](C)C1 ZINC000007787463 569203252 /nfs/dbraw/zinc/20/32/52/569203252.db2.gz YJHXYAVOOYAVLE-ZDUSSCGKSA-N 0 0 426.535 2.707 50 0 IFAARN Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc(=O)c2c1 ZINC000002225133 569205507 /nfs/dbraw/zinc/20/55/07/569205507.db2.gz KJDBOLWJOFSBMP-UHFFFAOYSA-N 0 0 442.493 2.683 50 0 IFAARN CC(=O)N[C@H](CC(=O)NCc1ccnc(-n2ccnc2)c1)c1ccc(Br)cc1 ZINC000195723458 569205523 /nfs/dbraw/zinc/20/55/23/569205523.db2.gz YETYQIWNDDLANB-GOSISDBHSA-N 0 0 442.317 2.914 50 0 IFAARN CCOC(=O)c1sc(NC(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c(C(=O)OCC)c1C ZINC000252679783 569210692 /nfs/dbraw/zinc/21/06/92/569210692.db2.gz REUNKDMUNRGHEQ-DTSUUXTCSA-N 0 0 430.548 2.783 50 0 IFAARN CCOc1ccccc1/C=c1\sc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2c1=O ZINC000003651599 569211934 /nfs/dbraw/zinc/21/19/34/569211934.db2.gz WXIIBDIIVLMVKY-PDGQHHTCSA-N 0 0 439.493 2.790 50 0 IFAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC(C)(C)C)cc1OC ZINC000003644628 569211950 /nfs/dbraw/zinc/21/19/50/569211950.db2.gz XZQWRUGOVITTQV-GOSISDBHSA-N 0 0 432.542 2.734 50 0 IFAARN O=C(Nc1ccc(Cl)cc1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000003007741 569212935 /nfs/dbraw/zinc/21/29/35/569212935.db2.gz SBOOQYPTNALAIL-UHFFFAOYSA-N 0 0 425.872 2.975 50 0 IFAARN COCCCNC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002246624 569214455 /nfs/dbraw/zinc/21/44/55/569214455.db2.gz QJIBFUAUVACXQI-UHFFFAOYSA-N 0 0 435.484 2.939 50 0 IFAARN O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1)N1CCCCC1 ZINC000014989577 569256782 /nfs/dbraw/zinc/25/67/82/569256782.db2.gz ZRKRQHOCURHKHL-MSOLQXFVSA-N 0 0 425.529 2.691 50 0 IFAARN COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 ZINC000019891988 569257003 /nfs/dbraw/zinc/25/70/03/569257003.db2.gz SEVVRRRLBPTNBY-LEWJYISDSA-N 0 0 442.512 2.934 50 0 IFAARN CC(=O)O[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OC(C)=O ZINC000032106925 569257566 /nfs/dbraw/zinc/25/75/66/569257566.db2.gz RBWWJLZVOQGLQV-XOJBGPSCSA-N 0 0 442.464 2.906 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@](O)(c2ccsc2)c2cccs2)cc1 ZINC000253403075 569264983 /nfs/dbraw/zinc/26/49/83/569264983.db2.gz PHPUGPWHSFSPGW-LJQANCHMSA-N 0 0 436.580 2.726 50 0 IFAARN NC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)cc1 ZINC000253410023 569265743 /nfs/dbraw/zinc/26/57/43/569265743.db2.gz MSVZFXOHLAJRPS-QHCPKHFHSA-N 0 0 440.459 2.929 50 0 IFAARN COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 ZINC000253417928 569266526 /nfs/dbraw/zinc/26/65/26/569266526.db2.gz UCVYPYWNSZHNNI-OAHLLOKOSA-N 0 0 435.521 2.936 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253425163 569267201 /nfs/dbraw/zinc/26/72/01/569267201.db2.gz BDQUILWEWSSRLK-KRWDZBQOSA-N 0 0 443.352 2.742 50 0 IFAARN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 ZINC000253426616 569267347 /nfs/dbraw/zinc/26/73/47/569267347.db2.gz ZIJRMTQFIQEMRK-SWLSCSKDSA-N 0 0 440.422 2.759 50 0 IFAARN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 ZINC000253426614 569267381 /nfs/dbraw/zinc/26/73/81/569267381.db2.gz ZIJRMTQFIQEMRK-IUODEOHRSA-N 0 0 440.422 2.759 50 0 IFAARN O=C(NCc1cccc(Cl)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253427888 569267516 /nfs/dbraw/zinc/26/75/16/569267516.db2.gz OLNFOEKJUXQRLL-INIZCTEOSA-N 0 0 429.325 2.699 50 0 IFAARN CCOC(=O)[C@H]1N[C@@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000002317091 569272476 /nfs/dbraw/zinc/27/24/76/569272476.db2.gz VNNZLGIBHWIYBJ-OWSLCNJRSA-N 0 0 443.297 2.831 50 0 IFAARN CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499814 569283299 /nfs/dbraw/zinc/28/32/99/569283299.db2.gz OTLJDTMBQKLRPK-MSYXAEDVSA-N 0 0 448.556 2.715 50 0 IFAARN CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1 ZINC000002354703 569285838 /nfs/dbraw/zinc/28/58/38/569285838.db2.gz FFADTDSXGQGXDF-UHFFFAOYSA-N 0 0 433.915 2.506 50 0 IFAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccccc2F)N1[C@@H]1CCS(=O)(=O)C1 ZINC000027757562 569296954 /nfs/dbraw/zinc/29/69/54/569296954.db2.gz GNPQQZLMMFKCOK-ODXCJYRJSA-N 0 0 427.457 2.654 50 0 IFAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)cc1 ZINC000002409301 569300508 /nfs/dbraw/zinc/30/05/08/569300508.db2.gz CMKVFQJEVMTNIP-UHFFFAOYSA-N 0 0 429.502 2.806 50 0 IFAARN CCCc1nnc(SCC(=O)NCCN2C(=O)SC(=Cc3ccccc3F)C2=O)[nH]1 ZINC000011465566 569302364 /nfs/dbraw/zinc/30/23/64/569302364.db2.gz NXIUZHSLYBQDHY-UVTDQMKNSA-N 0 0 449.533 2.841 50 0 IFAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@H]1c1ccc(O)cc1 ZINC000011859614 569303095 /nfs/dbraw/zinc/30/30/95/569303095.db2.gz YNNOFDLJUSZSFF-NRFANRHFSA-N 0 0 435.484 2.845 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1N ZINC000002438386 569303943 /nfs/dbraw/zinc/30/39/43/569303943.db2.gz WOUJZYAVARISKT-UHFFFAOYSA-N 0 0 426.502 2.665 50 0 IFAARN COc1cc(/C=C/C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2c1OCCO2 ZINC000012948350 569305084 /nfs/dbraw/zinc/30/50/84/569305084.db2.gz JSXIRKVYAXLVLV-HWKANZROSA-N 0 0 438.480 2.553 50 0 IFAARN COC(=O)c1sccc1NC(=O)CSc1ccccc1NC(=O)CN1CCOCC1 ZINC000012950900 569305225 /nfs/dbraw/zinc/30/52/25/569305225.db2.gz OJSIPBRCOAMNIE-UHFFFAOYSA-N 0 0 449.554 2.536 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)/N=c3/sc4ccccc4n3C)CC2)cc1 ZINC000013037165 569307592 /nfs/dbraw/zinc/30/75/92/569307592.db2.gz IRWGSUNONLUJBG-QURGRASLSA-N 0 0 445.566 2.777 50 0 IFAARN CCCCN(C(=O)CN[C@H](C)c1ccccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013038396 569307773 /nfs/dbraw/zinc/30/77/73/569307773.db2.gz CRRLBPZTBLNRQB-OAHLLOKOSA-N 0 0 449.983 2.912 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccc(F)cc1 ZINC000013041647 569308110 /nfs/dbraw/zinc/30/81/10/569308110.db2.gz LFVRMVJWRYRQFA-FQEVSTJZSA-N 0 0 436.505 2.606 50 0 IFAARN CCCCN(C(=O)COC(=O)c1oc2ccccc2c1COC)[C@@H]1CCS(=O)(=O)C1 ZINC000013055774 569308262 /nfs/dbraw/zinc/30/82/62/569308262.db2.gz ZKJBEYQNJZIXBI-OAHLLOKOSA-N 0 0 437.514 2.552 50 0 IFAARN CC(C)c1ccc(OCc2nnc(SCC(=O)NC(=O)NC3CCCC3)n2N)cc1 ZINC000013112835 569310524 /nfs/dbraw/zinc/31/05/24/569310524.db2.gz WKBFSRSFMZTWSZ-UHFFFAOYSA-N 0 0 432.550 2.555 50 0 IFAARN Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)NC(=O)NC3CCCCC3)n2N)c(C)c1 ZINC000013113144 569310596 /nfs/dbraw/zinc/31/05/96/569310596.db2.gz IIECQUWAFCBLMZ-HNNXBMFYSA-N 0 0 446.577 2.827 50 0 IFAARN O=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000013114912 569310810 /nfs/dbraw/zinc/31/08/10/569310810.db2.gz ATMPHJDWTNXERJ-UHFFFAOYSA-N 0 0 445.285 2.874 50 0 IFAARN CCCCN(C(=O)COc1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013149506 569312262 /nfs/dbraw/zinc/31/22/62/569312262.db2.gz RCOPILYSQMZGOY-UHFFFAOYSA-N 0 0 440.475 2.518 50 0 IFAARN CCOC(=O)CCNC(=O)N1CCC(C(=O)NCc2csc(-c3ccccc3)n2)CC1 ZINC000013354663 569313462 /nfs/dbraw/zinc/31/34/62/569313462.db2.gz ZKMSGUOIOBESHW-UHFFFAOYSA-N 0 0 444.557 2.801 50 0 IFAARN Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2Cl)ccc1F ZINC000013371830 569315107 /nfs/dbraw/zinc/31/51/07/569315107.db2.gz AGBCWAFBRXMHSM-ROUUACIJSA-N 0 0 431.938 2.517 50 0 IFAARN CCCOc1ccc(C(=O)CCC(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)cc1 ZINC000328591468 569316956 /nfs/dbraw/zinc/31/69/56/569316956.db2.gz FHNSRSJJKZWLJT-UHFFFAOYSA-N 0 0 427.505 2.964 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)N3CCC(c4noc(C(C)C)n4)CC3)CC2=O)cc1OC ZINC000328592160 569317227 /nfs/dbraw/zinc/31/72/27/569317227.db2.gz DSVZRQAXDCXTAC-INIZCTEOSA-N 0 0 442.516 2.969 50 0 IFAARN O=C(CN1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1)NCC1CCCCC1 ZINC000078716828 569318422 /nfs/dbraw/zinc/31/84/22/569318422.db2.gz LIZWTQGALSTBDR-UHFFFAOYSA-N 0 0 427.998 2.779 50 0 IFAARN CNC(=O)NC(=O)CSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1Cc1ccccc1 ZINC000019388777 569318998 /nfs/dbraw/zinc/31/89/98/569318998.db2.gz HZCGFGHYFHXVRA-PDGQHHTCSA-N 0 0 438.509 2.623 50 0 IFAARN COc1ccc(C(=O)NC[C@@H]2CCC[C@H](O)C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000078875070 569319739 /nfs/dbraw/zinc/31/97/39/569319739.db2.gz OIELMUHWJOVRFQ-BMFAXAFESA-N 0 0 438.590 2.643 50 0 IFAARN COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000078933514 569320338 /nfs/dbraw/zinc/32/03/38/569320338.db2.gz OBZRYFWZUZPJEQ-XLIONFOSSA-N 0 0 446.569 2.856 50 0 IFAARN CCO[C@@H](C)c1noc(CN2CCCN([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)n1 ZINC000078950335 569320533 /nfs/dbraw/zinc/32/05/33/569320533.db2.gz HGCNSMNQQXXFPJ-OALUTQOASA-N 0 0 429.565 2.722 50 0 IFAARN CC1(C)CN=C(N2CCN([C@H](C(N)=O)c3ccc(Br)cc3F)CC2)S1 ZINC000078969367 569320973 /nfs/dbraw/zinc/32/09/73/569320973.db2.gz LTENUPKXHGWQHC-AWEZNQCLSA-N 0 0 429.359 2.614 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@@H](CO)Cc3ccc(Cl)cc3)ccc21 ZINC000078995352 569321584 /nfs/dbraw/zinc/32/15/84/569321584.db2.gz AFZKCYDHVBGMSH-INIZCTEOSA-N 0 0 436.961 2.633 50 0 IFAARN C[C@@H]1CCCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000078992514 569321634 /nfs/dbraw/zinc/32/16/34/569321634.db2.gz YSLYKFZVNATWSI-QAPCUYQASA-N 0 0 444.532 2.504 50 0 IFAARN CC[C@@](C)(CC(=O)OC)NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1 ZINC000079001311 569321874 /nfs/dbraw/zinc/32/18/74/569321874.db2.gz XPLMHZWGWUPMHQ-NRFANRHFSA-N 0 0 436.530 2.627 50 0 IFAARN CCN1C(=O)[C@H]2CN(C(=O)c3cn(-c4ccc(C)cc4)nc3-c3ccccc3)CCN2C1=O ZINC000079026171 569322983 /nfs/dbraw/zinc/32/29/83/569322983.db2.gz NRIBAHPJORDQIQ-OAQYLSRUSA-N 0 0 443.507 2.956 50 0 IFAARN Cn1cc([C@@H]2CN(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)CCO2)cn1 ZINC000079050486 569323428 /nfs/dbraw/zinc/32/34/28/569323428.db2.gz YZBNAKVTMGSBDM-NRFANRHFSA-N 0 0 438.459 2.790 50 0 IFAARN CCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(F)cc1Cl)c(=O)n2C ZINC000019625715 569323774 /nfs/dbraw/zinc/32/37/74/569323774.db2.gz GGIMTQBHAMRFCK-UHFFFAOYSA-N 0 0 432.883 2.726 50 0 IFAARN COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C ZINC000079072364 569324603 /nfs/dbraw/zinc/32/46/03/569324603.db2.gz DIWVGHYOBDFRGF-GJZGRUSLSA-N 0 0 432.546 2.681 50 0 IFAARN Cc1cccc(C)c1OC[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(C)(C)C ZINC000079094373 569325253 /nfs/dbraw/zinc/32/52/53/569325253.db2.gz SUJMJMWRYGHALG-SFHVURJKSA-N 0 0 431.558 2.711 50 0 IFAARN C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000079098069 569325407 /nfs/dbraw/zinc/32/54/07/569325407.db2.gz NYFWEWZFVZQWTI-NSHDSACASA-N 0 0 438.315 2.527 50 0 IFAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000079189301 569327913 /nfs/dbraw/zinc/32/79/13/569327913.db2.gz VVEAUEIOLRLSJI-NQIIRXRSSA-N 0 0 447.399 2.819 50 0 IFAARN COc1cc(NC(=O)CS(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC ZINC000019823137 569330135 /nfs/dbraw/zinc/33/01/35/569330135.db2.gz NTIOFUHWIYFUNC-UHFFFAOYSA-N 0 0 444.303 2.887 50 0 IFAARN Cc1c(C)c(=O)oc2c(C)c(OCC(=O)N3CCN(CCc4ccncc4)CC3)ccc12 ZINC000079479475 569330883 /nfs/dbraw/zinc/33/08/83/569330883.db2.gz FBISYYWMGNTGAS-UHFFFAOYSA-N 0 0 435.524 2.879 50 0 IFAARN O=C(NCCCc1nnc2ccccn21)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000079485595 569330972 /nfs/dbraw/zinc/33/09/72/569330972.db2.gz ZFPGUZLYLOXPCX-UHFFFAOYSA-N 0 0 447.948 2.675 50 0 IFAARN COc1ccc(CCc2nc(NC(=O)C3CCN(c4nc(C)cc(C)n4)CC3)n[nH]2)cc1 ZINC000079495858 569331477 /nfs/dbraw/zinc/33/14/77/569331477.db2.gz ZATZOLAHOAHODJ-UHFFFAOYSA-N 0 0 435.532 2.860 50 0 IFAARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000020069783 569333236 /nfs/dbraw/zinc/33/32/36/569333236.db2.gz GQEYKKLPYWIKCR-IBGZPJMESA-N 0 0 437.374 2.757 50 0 IFAARN C[C@H](c1ccccc1)N1C(=O)N[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C1=O ZINC000020069860 569333301 /nfs/dbraw/zinc/33/33/01/569333301.db2.gz NEXVXENKHKWIIE-PXAZEXFGSA-N 0 0 427.404 2.537 50 0 IFAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(OC(C)=O)c(OC)c1 ZINC000020074270 569333816 /nfs/dbraw/zinc/33/38/16/569333816.db2.gz SWBLHUIAROGPJU-AWEZNQCLSA-N 0 0 427.251 2.574 50 0 IFAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(OC(C)=O)c(OC)c1 ZINC000020074267 569333857 /nfs/dbraw/zinc/33/38/57/569333857.db2.gz SWBLHUIAROGPJU-CQSZACIVSA-N 0 0 427.251 2.574 50 0 IFAARN COc1cc2c(cc1OC)[C@H](C(=O)NC[C@H]1CCCO1)[C@@H](c1cccs1)N(C)C2=O ZINC000020114162 569334822 /nfs/dbraw/zinc/33/48/22/569334822.db2.gz ZJTZPYVIAJJTFU-CAYVGHNUSA-N 0 0 430.526 2.971 50 0 IFAARN CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2c1=O ZINC000020116978 569335120 /nfs/dbraw/zinc/33/51/20/569335120.db2.gz MTSSQCGRHQREJX-UHFFFAOYSA-N 0 0 434.540 2.838 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000020154485 569353528 /nfs/dbraw/zinc/35/35/28/569353528.db2.gz ZYVGBUYLAAEJCT-OAHLLOKOSA-N 0 0 448.932 2.636 50 0 IFAARN O=C(NCCn1cc(-c2nc(-c3ccccn3)no2)nn1)c1cc2cc(Cl)ccc2[nH]1 ZINC000390826867 569353812 /nfs/dbraw/zinc/35/38/12/569353812.db2.gz CKBYJPDFLXWINI-UHFFFAOYSA-N 0 0 434.847 2.955 50 0 IFAARN COc1ccccc1-c1cc(C(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)[nH]n1 ZINC000390828198 569353924 /nfs/dbraw/zinc/35/39/24/569353924.db2.gz AHBAYLGTQZRAFG-UHFFFAOYSA-N 0 0 436.497 2.729 50 0 IFAARN COc1ccc2cc(C(=O)N3CCC(N4c5ccccc5N(C)S4(=O)=O)CC3)[nH]c2c1 ZINC000390829345 569354189 /nfs/dbraw/zinc/35/41/89/569354189.db2.gz DTNKNKDURGXGKC-UHFFFAOYSA-N 0 0 440.525 2.982 50 0 IFAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 ZINC000390830796 569354311 /nfs/dbraw/zinc/35/43/11/569354311.db2.gz NMQXWZJALRATTH-INIZCTEOSA-N 0 0 431.510 2.789 50 0 IFAARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21)NCCCN1CCCC1=O ZINC000020180723 569355113 /nfs/dbraw/zinc/35/51/13/569355113.db2.gz PENLMGOCWOHOHF-QNGOZBTKSA-N 0 0 437.471 2.721 50 0 IFAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCC(OC)OC)C2=O)cc1 ZINC000020180926 569355264 /nfs/dbraw/zinc/35/52/64/569355264.db2.gz OPXXWHXOVHTECZ-UNOMPAQXSA-N 0 0 428.510 2.910 50 0 IFAARN COc1cccc(NC(=O)CCC(=O)N2CCN(C(=O)c3c[nH]c4ccccc43)CC2)c1 ZINC000094993008 569355787 /nfs/dbraw/zinc/35/57/87/569355787.db2.gz GKAKVRPPRDLJNN-UHFFFAOYSA-N 0 0 434.496 2.880 50 0 IFAARN COc1cccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)c1 ZINC000020231829 569357119 /nfs/dbraw/zinc/35/71/19/569357119.db2.gz OWCPZMWIUHLLFA-OAQYLSRUSA-N 0 0 445.541 2.546 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC3CCCC3)ccc21 ZINC000020234448 569357209 /nfs/dbraw/zinc/35/72/09/569357209.db2.gz NKJWPOICCAHHLM-LJQANCHMSA-N 0 0 435.590 2.738 50 0 IFAARN COc1ccc(-c2nn(C)c3sc(C(=O)NCCCN4CCOCC4)cc23)cc1OC ZINC000020233557 569357285 /nfs/dbraw/zinc/35/72/85/569357285.db2.gz ZKCHTRVCEIIHCF-UHFFFAOYSA-N 0 0 444.557 2.771 50 0 IFAARN CCOC(CNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1[S@]2=O)OCC ZINC000020242873 569358348 /nfs/dbraw/zinc/35/83/48/569358348.db2.gz XFEYATZRFQYRNI-PMERELPUSA-N 0 0 430.526 2.962 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)NCCCc1ccccc1 ZINC000020280907 569358733 /nfs/dbraw/zinc/35/87/33/569358733.db2.gz OGZKGCLFIOKPFO-GOSISDBHSA-N 0 0 432.571 2.743 50 0 IFAARN Cc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)C)cc1C ZINC000020284965 569359115 /nfs/dbraw/zinc/35/91/15/569359115.db2.gz KQPUVYWJJYMJRX-LJQANCHMSA-N 0 0 431.514 2.690 50 0 IFAARN COc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2cccnc2)cc1 ZINC000020323218 569360346 /nfs/dbraw/zinc/36/03/46/569360346.db2.gz OBPSGJQTYRNHIJ-UHFFFAOYSA-N 0 0 427.482 2.933 50 0 IFAARN COCCCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)nn(C)c1C ZINC000020323074 569360382 /nfs/dbraw/zinc/36/03/82/569360382.db2.gz MDQCIVKOXOYRPD-UHFFFAOYSA-N 0 0 436.578 2.508 50 0 IFAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc(C(C)C)cc1 ZINC000020322932 569360423 /nfs/dbraw/zinc/36/04/23/569360423.db2.gz ZGKAFQKWGAOGIQ-HXUWFJFHSA-N 0 0 448.589 2.651 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000020328435 569360576 /nfs/dbraw/zinc/36/05/76/569360576.db2.gz UKCUYXCOIDDIAR-HXUWFJFHSA-N 0 0 444.509 2.649 50 0 IFAARN O=C(CN1c2ccccc2SCCC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020379596 569362487 /nfs/dbraw/zinc/36/24/87/569362487.db2.gz LTXUKFPPRBAGEQ-UHFFFAOYSA-N 0 0 439.537 2.589 50 0 IFAARN Cc1ccc(S(=O)(=O)c2cnc3cc4c(cc3c2N2CCOCC2)OCCO4)cc1 ZINC000020381312 569362615 /nfs/dbraw/zinc/36/26/15/569362615.db2.gz KUMKDJJBMMQWKJ-UHFFFAOYSA-N 0 0 426.494 2.984 50 0 IFAARN Cc1ccc(C)n1C1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000095393925 569363525 /nfs/dbraw/zinc/36/35/25/569363525.db2.gz HGUCVTSHUNVTSJ-UHFFFAOYSA-N 0 0 432.542 2.904 50 0 IFAARN O=C([C@H]1CCCN(c2nnc(-n3cccc3)s2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020414936 569364308 /nfs/dbraw/zinc/36/43/08/569364308.db2.gz BEESUNCPFLPQOX-FQEVSTJZSA-N 0 0 436.585 2.890 50 0 IFAARN Cc1cc(C(=O)N2CCC[C@H](CNC(=O)c3ccncc3Cl)C2)ccc1-n1cncn1 ZINC000095435119 569366469 /nfs/dbraw/zinc/36/64/69/569366469.db2.gz JXHUFZRAWCUBMR-MRXNPFEDSA-N 0 0 438.919 2.906 50 0 IFAARN O=C(N[C@H]1CCCC[C@H]1CO)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000095443386 569366853 /nfs/dbraw/zinc/36/68/53/569366853.db2.gz FGVWWODJKOEKSN-UNMCSNQZSA-N 0 0 430.570 2.908 50 0 IFAARN COC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)N(C)Cc1ccc(SC)c(OC)c1 ZINC000095447660 569367532 /nfs/dbraw/zinc/36/75/32/569367532.db2.gz FXSVYXXUEBXQKV-KRWDZBQOSA-N 0 0 428.510 2.687 50 0 IFAARN CN(C)C(=O)c1ccc(CNC(=O)c2ccnc(Cl)c2I)cc1 ZINC000095448448 569367607 /nfs/dbraw/zinc/36/76/07/569367607.db2.gz JCKUCFWBCIYHQB-UHFFFAOYSA-N 0 0 443.672 2.971 50 0 IFAARN Cc1ccc(NC(=O)CON=C(N)[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1Cl ZINC000095449564 569367648 /nfs/dbraw/zinc/36/76/48/569367648.db2.gz NZVWKGWBBOUMCE-HNNXBMFYSA-N 0 0 426.901 2.721 50 0 IFAARN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000095450700 569367760 /nfs/dbraw/zinc/36/77/60/569367760.db2.gz XFFZFBNBVQFRML-IBGZPJMESA-N 0 0 447.553 2.930 50 0 IFAARN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC000095454651 569368406 /nfs/dbraw/zinc/36/84/06/569368406.db2.gz LSTGZMIGYBXFES-HIFRSBDPSA-N 0 0 426.510 2.733 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3ccc(CC(F)(F)F)cc3)C2)cc1 ZINC000095454989 569368569 /nfs/dbraw/zinc/36/85/69/569368569.db2.gz DZLDYJPKGLRWGV-UHFFFAOYSA-N 0 0 443.447 2.995 50 0 IFAARN O=C(NCC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)c1ccc(Br)s1 ZINC000095457366 569368923 /nfs/dbraw/zinc/36/89/23/569368923.db2.gz AAJHHWXLJHUPGT-QWHCGFSZSA-N 0 0 427.295 2.714 50 0 IFAARN O=C([C@H]1CC12CCN(C(=O)[C@@H]1CC(=O)N(c3ccccc3F)C1)CC2)N1CCCCC1 ZINC000095457944 569369087 /nfs/dbraw/zinc/36/90/87/569369087.db2.gz HWSGFJILDTUHAT-QZTJIDSGSA-N 0 0 427.520 2.820 50 0 IFAARN COc1cccc([C@@H]2[C@@H](C(=O)N[C@H](C)C(=O)NCc3ccccc3)CC(=O)N2C2CC2)c1 ZINC000095463668 569370331 /nfs/dbraw/zinc/37/03/31/569370331.db2.gz OOKYKCHLJIJJKX-XORNHQRDSA-N 0 0 435.524 2.568 50 0 IFAARN Cc1ccc(C)c(-n2ccnc2SCC(=O)NC[C@H](O)C(=O)OCc2ccccc2)c1 ZINC000095464761 569370550 /nfs/dbraw/zinc/37/05/50/569370550.db2.gz REDVYGJRJDYBGX-FQEVSTJZSA-N 0 0 439.537 2.802 50 0 IFAARN Cc1ccc(C)c(-n2ccnc2SCC(=O)NC[C@@H](O)C(=O)OCc2ccccc2)c1 ZINC000095464762 569370551 /nfs/dbraw/zinc/37/05/51/569370551.db2.gz REDVYGJRJDYBGX-HXUWFJFHSA-N 0 0 439.537 2.802 50 0 IFAARN C[C@@H](NC(=O)c1cc(Br)ncc1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000095465183 569370684 /nfs/dbraw/zinc/37/06/84/569370684.db2.gz IDHUUBZADJXEDO-SNVBAGLBSA-N 0 0 430.299 2.725 50 0 IFAARN CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000095469684 569371581 /nfs/dbraw/zinc/37/15/81/569371581.db2.gz GFWWQCCDGSGJFO-LLVKDONJSA-N 0 0 437.260 2.515 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc43)C2)cn1 ZINC000095472229 569372194 /nfs/dbraw/zinc/37/21/94/569372194.db2.gz SSYZJSLEQIRANP-SNVBAGLBSA-N 0 0 430.262 2.721 50 0 IFAARN CC1(C)C[C@@H](NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc43)C2)CCO1 ZINC000095473249 569372377 /nfs/dbraw/zinc/37/23/77/569372377.db2.gz KRBCPYPKTBOXHA-AAEUAGOBSA-N 0 0 435.322 2.752 50 0 IFAARN COc1ccc2c(ccn2CCNC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)c1 ZINC000095478737 569373533 /nfs/dbraw/zinc/37/35/33/569373533.db2.gz YMNRFLKDCORMEU-FQEVSTJZSA-N 0 0 434.496 2.524 50 0 IFAARN CC(C)(C)OC(=O)NC1CCN(C(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 ZINC000095478613 569373541 /nfs/dbraw/zinc/37/35/41/569373541.db2.gz LTSQLMXHCPZPPW-KRWDZBQOSA-N 0 0 430.505 2.683 50 0 IFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1nnc(SCc2ccccc2)s1 ZINC000095482164 569374229 /nfs/dbraw/zinc/37/42/29/569374229.db2.gz PAGLBFIOZAGGPN-UHFFFAOYSA-N 0 0 446.535 2.614 50 0 IFAARN Cc1ccc(SCCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000095482174 569374275 /nfs/dbraw/zinc/37/42/75/569374275.db2.gz YOQMPPDWDUTOHU-UHFFFAOYSA-N 0 0 447.626 2.594 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC3=CCCCC3)c2)CC1 ZINC000095482547 569374507 /nfs/dbraw/zinc/37/45/07/569374507.db2.gz ROQHPPPLUZLTCR-UHFFFAOYSA-N 0 0 425.982 2.896 50 0 IFAARN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2OC)[C@@H]1OC ZINC000095941975 569375578 /nfs/dbraw/zinc/37/55/78/569375578.db2.gz ZNELTWSJFPPVIB-WDMOLILDSA-N 0 0 428.732 2.582 50 0 IFAARN O=S(=O)(N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000095945085 569375767 /nfs/dbraw/zinc/37/57/67/569375767.db2.gz YEJLTJNFYXJNJE-INIZCTEOSA-N 0 0 440.403 2.663 50 0 IFAARN Cn1c2cc(-c3cccc(C(=O)NCc4noc(-c5ccccc5)n4)c3)cnc2[nH]c1=O ZINC000095945781 569375887 /nfs/dbraw/zinc/37/58/87/569375887.db2.gz CNKOYCCABJBYML-UHFFFAOYSA-N 0 0 426.436 2.909 50 0 IFAARN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000095947357 569376389 /nfs/dbraw/zinc/37/63/89/569376389.db2.gz XZZGFXWXDOKQLG-CYBMUJFWSA-N 0 0 433.438 2.531 50 0 IFAARN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000095977075 569377770 /nfs/dbraw/zinc/37/77/70/569377770.db2.gz KVNGRHHNVFJKLB-KRWDZBQOSA-N 0 0 428.533 2.871 50 0 IFAARN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000095997690 569379024 /nfs/dbraw/zinc/37/90/24/569379024.db2.gz FMXVLKCUFAATLU-SJORKVTESA-N 0 0 425.470 2.559 50 0 IFAARN CC(=O)NCCN(CCC(=O)Nc1ccc(Cl)cc1F)[C@@H](C)C(=O)OC(C)(C)C ZINC000096004581 569379143 /nfs/dbraw/zinc/37/91/43/569379143.db2.gz RTZKQWYTTYAXDM-ZDUSSCGKSA-N 0 0 429.920 2.976 50 0 IFAARN COc1cc2n[nH]nc2cc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000096012249 569380078 /nfs/dbraw/zinc/38/00/78/569380078.db2.gz FSHYGBGCIHXHJP-UHFFFAOYSA-N 0 0 429.502 2.784 50 0 IFAARN Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000096025877 569380724 /nfs/dbraw/zinc/38/07/24/569380724.db2.gz GSXYGRMEPOVSMG-UHFFFAOYSA-N 0 0 430.530 2.614 50 0 IFAARN COc1ccccc1NC(=O)N1CCC(CNS(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000096025894 569380831 /nfs/dbraw/zinc/38/08/31/569380831.db2.gz LFWKTUGFXGTLLK-UHFFFAOYSA-N 0 0 445.541 2.853 50 0 IFAARN Cn1c2cc(S(=O)(=O)NC[C@@](C)(O)c3ccc(-c4ccccc4)cc3)ccc2oc1=O ZINC000096025775 569380846 /nfs/dbraw/zinc/38/08/46/569380846.db2.gz OFTJKHBKEXBRBY-HSZRJFAPSA-N 0 0 438.505 2.985 50 0 IFAARN CC(C)(C)OC(=O)NC(CNC(=O)/C=C\c1ccco1)CNC(=O)/C=C\c1ccco1 ZINC000096035317 569380868 /nfs/dbraw/zinc/38/08/68/569380868.db2.gz VTOGDWJWDZCBPR-WGEIWTTOSA-N 0 0 429.473 2.725 50 0 IFAARN Cn1c2cc(S(=O)(=O)NCc3nn(C4CCCC4)c4c3CCCC4)ccc2oc1=O ZINC000096099259 569381504 /nfs/dbraw/zinc/38/15/04/569381504.db2.gz UVUJDYYZZCVSJB-UHFFFAOYSA-N 0 0 430.530 2.800 50 0 IFAARN O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096104126 569382091 /nfs/dbraw/zinc/38/20/91/569382091.db2.gz JURANZVVKVKZMI-UHFFFAOYSA-N 0 0 439.493 2.884 50 0 IFAARN COc1cccc(N2C[C@H](C(=O)NCCn3nc(C(F)(F)F)cc3C3CC3)CC2=O)c1 ZINC000096103759 569382125 /nfs/dbraw/zinc/38/21/25/569382125.db2.gz UFFKRHKTBPUYRH-CQSZACIVSA-N 0 0 436.434 2.957 50 0 IFAARN Cc1cccc(OCC(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)c1 ZINC000096105614 569382596 /nfs/dbraw/zinc/38/25/96/569382596.db2.gz WRQJUAYNPDRVJW-UHFFFAOYSA-N 0 0 425.460 2.626 50 0 IFAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cc(OC)c(OC)c(OC)c1)C=C2 ZINC000096114260 569382684 /nfs/dbraw/zinc/38/26/84/569382684.db2.gz YLDMLCJPWWOFEK-UHFFFAOYSA-N 0 0 442.468 2.724 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3ccc4ccn(C)c4c3)C2=O)cc1OC ZINC000096114508 569382906 /nfs/dbraw/zinc/38/29/06/569382906.db2.gz YTCMLVSXNCRWGA-KRWDZBQOSA-N 0 0 436.468 2.645 50 0 IFAARN CC(C)n1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc2c1=O ZINC000096115709 569383247 /nfs/dbraw/zinc/38/32/47/569383247.db2.gz NMPGKMYVLWJGDI-LNLFQRSKSA-N 0 0 429.546 2.642 50 0 IFAARN O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCC(Oc2cccnn2)CC1 ZINC000096119327 569384727 /nfs/dbraw/zinc/38/47/27/569384727.db2.gz VSXHUSXKLSSCBI-AWEZNQCLSA-N 0 0 445.317 2.662 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000096120449 569384916 /nfs/dbraw/zinc/38/49/16/569384916.db2.gz GZIXSINEBKTSQS-UHFFFAOYSA-N 0 0 449.504 2.835 50 0 IFAARN COc1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c(OC)c1 ZINC000096121574 569385034 /nfs/dbraw/zinc/38/50/34/569385034.db2.gz WUICJBBYUQXHGW-UHFFFAOYSA-N 0 0 433.452 2.776 50 0 IFAARN CCN(C(=O)/C=C\c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000096124547 569385534 /nfs/dbraw/zinc/38/55/34/569385534.db2.gz XKQIPHUQYLOMRB-BENRWUELSA-N 0 0 430.526 2.782 50 0 IFAARN COc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)c(OC)c1 ZINC000096126923 569385706 /nfs/dbraw/zinc/38/57/06/569385706.db2.gz SZZUVMDPQDIVEI-FQEVSTJZSA-N 0 0 437.496 2.686 50 0 IFAARN COc1cccc2c1ccn2CCNC(=O)CN1C=Cc2cc(OC)c(OC)cc2CC1=O ZINC000096221834 569387094 /nfs/dbraw/zinc/38/70/94/569387094.db2.gz JSLFDCLYVLWPJZ-UHFFFAOYSA-N 0 0 449.507 2.839 50 0 IFAARN COc1ccc2c(C)c(CC(=O)NCCc3nc4ccccc4n3C)c(=O)oc2c1OC ZINC000096222343 569387191 /nfs/dbraw/zinc/38/71/91/569387191.db2.gz PUHUAFRSRALEKP-UHFFFAOYSA-N 0 0 435.480 2.907 50 0 IFAARN COc1ccccc1CNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000096222447 569387259 /nfs/dbraw/zinc/38/72/59/569387259.db2.gz KFRRNCYSWBMJBN-FQEVSTJZSA-N 0 0 434.496 2.736 50 0 IFAARN COc1ccc(N2CCC[C@H](C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)C2)nn1 ZINC000096223784 569387365 /nfs/dbraw/zinc/38/73/65/569387365.db2.gz IELHUGVHXPBDFU-INIZCTEOSA-N 0 0 430.936 2.865 50 0 IFAARN COc1ccc2cnn(CC(=O)NCc3nc4ccccc4n3C(C)C)c(=O)c2c1OC ZINC000096231558 569387595 /nfs/dbraw/zinc/38/75/95/569387595.db2.gz UVKHAVDWHBAYTP-UHFFFAOYSA-N 0 0 435.484 2.661 50 0 IFAARN COCCn1ccc2c1cccc2NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O ZINC000096231624 569387623 /nfs/dbraw/zinc/38/76/23/569387623.db2.gz DLJOCIOHPJCKBH-UHFFFAOYSA-N 0 0 436.468 2.654 50 0 IFAARN COc1ccc([C@H]2[C@H](S(=O)(=O)NCC3CC3)CON2C)cc1OCc1ccccc1 ZINC000096247531 569387991 /nfs/dbraw/zinc/38/79/91/569387991.db2.gz CQFZEABZDVSLNV-YADHBBJMSA-N 0 0 432.542 2.890 50 0 IFAARN CCC(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCc1ccccc1)N2C(=O)c1ccc(C)cc1 ZINC000096275083 569388150 /nfs/dbraw/zinc/38/81/50/569388150.db2.gz JIOCGRATQQEQBG-QFIPXVFZSA-N 0 0 449.551 2.881 50 0 IFAARN COCC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(OC)cc2)c1)CC1CC1 ZINC000096294678 569391754 /nfs/dbraw/zinc/39/17/54/569391754.db2.gz IONWELRBNIUZQU-UHFFFAOYSA-N 0 0 449.525 2.857 50 0 IFAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(F)cc1F)c(=O)n2CC(=O)NCc1ccco1 ZINC000096318135 569393783 /nfs/dbraw/zinc/39/37/83/569393783.db2.gz UJJLOZMGBGNZLK-UHFFFAOYSA-N 0 0 425.391 2.648 50 0 IFAARN COCCNC(=O)[C@@H](C)n1c2ccc(C)cc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000096318349 569393846 /nfs/dbraw/zinc/39/38/46/569393846.db2.gz ZMOVCEMRYOFSJX-CYBMUJFWSA-N 0 0 433.867 2.577 50 0 IFAARN CC[C@H](C(=O)NCCOC)n1c2ccc(C)cc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000096318371 569393863 /nfs/dbraw/zinc/39/38/63/569393863.db2.gz NRXJSHGTWONRKM-GOSISDBHSA-N 0 0 447.894 2.967 50 0 IFAARN Cc1[nH]c(C(=O)Nc2cccc(-c3ccno3)c2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000096320067 569394071 /nfs/dbraw/zinc/39/40/71/569394071.db2.gz RRXHVIBCBMDDLS-UHFFFAOYSA-N 0 0 430.486 2.560 50 0 IFAARN O=C(/C=C\c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000096320583 569394081 /nfs/dbraw/zinc/39/40/81/569394081.db2.gz YOZIVXRZILRKJU-QXMHVHEDSA-N 0 0 425.485 2.920 50 0 IFAARN CCn1c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)cc2[nH]c(=O)c1=O ZINC000096320608 569394100 /nfs/dbraw/zinc/39/41/00/569394100.db2.gz PIHOSNGAIKTTJI-MRXNPFEDSA-N 0 0 445.479 2.897 50 0 IFAARN O=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)Nc1cccc(C(F)(F)F)c1 ZINC000096321810 569394197 /nfs/dbraw/zinc/39/41/97/569394197.db2.gz KDBKIGQGWMPWHW-UHFFFAOYSA-N 0 0 437.399 2.734 50 0 IFAARN Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N(C)C)cs2)CC1 ZINC000096321871 569394299 /nfs/dbraw/zinc/39/42/99/569394299.db2.gz ROLBPXWKKUHYNK-UHFFFAOYSA-N 0 0 435.571 2.798 50 0 IFAARN CN(C)C(=O)c1csc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)c1 ZINC000096321866 569394309 /nfs/dbraw/zinc/39/43/09/569394309.db2.gz WUIPAHLAWTXRGK-UHFFFAOYSA-N 0 0 439.534 2.628 50 0 IFAARN O=c1oc2cc(S(=O)(=O)N3CCCCCC3)ccc2n1Cc1noc(C2CCC2)n1 ZINC000096322167 569394409 /nfs/dbraw/zinc/39/44/09/569394409.db2.gz IRQFUINEZWWLCX-UHFFFAOYSA-N 0 0 432.502 2.858 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2nc3c4cc(-c5ccccc5)nn4ccn3c2=O)c1 ZINC000096322453 569394602 /nfs/dbraw/zinc/39/46/02/569394602.db2.gz BFACNPOWVAJSFO-UHFFFAOYSA-N 0 0 426.436 2.652 50 0 IFAARN COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)NC1CCCC1 ZINC000096324012 569395640 /nfs/dbraw/zinc/39/56/40/569395640.db2.gz ZZADTNYWAWKZOP-UHFFFAOYSA-N 0 0 444.513 2.734 50 0 IFAARN Cc1ccc(-n2nc(N3CCN(C(=O)c4cccc(N(C)C)c4)CC3)ccc2=O)cc1C ZINC000096324193 569395745 /nfs/dbraw/zinc/39/57/45/569395745.db2.gz NUVALCQCXCJWJW-UHFFFAOYSA-N 0 0 431.540 2.878 50 0 IFAARN COc1ccc(CC(=O)N2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)cc1Cl ZINC000096324940 569396145 /nfs/dbraw/zinc/39/61/45/569396145.db2.gz HZHTVVPMDQHIDZ-UHFFFAOYSA-N 0 0 439.903 2.661 50 0 IFAARN COc1ccccc1CCN1CC(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000096355807 569397376 /nfs/dbraw/zinc/39/73/76/569397376.db2.gz IKNORFHQOJAVGW-VQTJNVASSA-N 0 0 448.972 2.714 50 0 IFAARN Cc1cccc(Cn2c3cccnc3n(CCNC(=O)c3ccc4c(c3)OCO4)c2=O)c1 ZINC000096386134 569398437 /nfs/dbraw/zinc/39/84/37/569398437.db2.gz QDUYGSUDNZORCW-UHFFFAOYSA-N 0 0 430.464 2.713 50 0 IFAARN O=C(c1csc(N2CCN(c3ccc(F)cc3)CC2)n1)N1CCC2(CC1)OCCO2 ZINC000096386440 569398540 /nfs/dbraw/zinc/39/85/40/569398540.db2.gz BPOZFZISJNMPOI-UHFFFAOYSA-N 0 0 432.521 2.588 50 0 IFAARN O=C(c1csc(N2CCN(c3ccccc3F)CC2)n1)N1CCC2(CC1)OCCO2 ZINC000096386377 569398559 /nfs/dbraw/zinc/39/85/59/569398559.db2.gz VYFXPOVRAUTEJM-UHFFFAOYSA-N 0 0 432.521 2.588 50 0 IFAARN O=C(Cc1c2[nH]cccc-2c(=O)n1Cc1ccc(F)cc1)N1CCC2(CC1)OCCO2 ZINC000096387169 569398886 /nfs/dbraw/zinc/39/88/86/569398886.db2.gz WBXAFSLUGCMOKO-LJQANCHMSA-N 0 0 425.460 2.673 50 0 IFAARN O=C(C1CCN(c2ccc(-n3cncn3)nn2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000096395606 569399023 /nfs/dbraw/zinc/39/90/23/569399023.db2.gz IZDJTCKIGKPIOI-UHFFFAOYSA-N 0 0 431.544 2.755 50 0 IFAARN CCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccccc3Cl)CC2)c1=O ZINC000096396682 569399127 /nfs/dbraw/zinc/39/91/27/569399127.db2.gz CLCFLAWVSNXHGO-UHFFFAOYSA-N 0 0 433.921 2.584 50 0 IFAARN Cc1oc(C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)nc1C(=O)N1CCOCC1 ZINC000096397164 569399483 /nfs/dbraw/zinc/39/94/83/569399483.db2.gz CVTXZDSOTLTRSG-UHFFFAOYSA-N 0 0 447.557 2.641 50 0 IFAARN CCC(=O)N1CCc2cc(CNC(=O)CN3C(=O)COc4ccc(Cl)cc43)ccc21 ZINC000096399383 569400087 /nfs/dbraw/zinc/40/00/87/569400087.db2.gz DCAIDRQTLIRNNR-UHFFFAOYSA-N 0 0 427.888 2.681 50 0 IFAARN COc1ccccc1NC(=O)C[C@H]1CS(=O)(=O)C[C@H]1CC(=O)Nc1ccccc1OC ZINC000096592326 569401885 /nfs/dbraw/zinc/40/18/85/569401885.db2.gz SFIOZTAZOREOMW-IYBDPMFKSA-N 0 0 446.525 2.722 50 0 IFAARN Cn1c([C@H]2CCN(S(=O)(=O)c3ccc(Br)s3)C2)nc2cccnc21 ZINC000097077519 569402957 /nfs/dbraw/zinc/40/29/57/569402957.db2.gz AAHRTBCCDWOYLV-JTQLQIEISA-N 0 0 427.349 2.971 50 0 IFAARN COc1cccc(CCC(=O)N2CCCN([C@H]3CCN(Cc4ccccc4)C3=O)CC2)c1 ZINC000097161547 569403270 /nfs/dbraw/zinc/40/32/70/569403270.db2.gz YAGMNYQWUVBANF-DEOSSOPVSA-N 0 0 435.568 2.963 50 0 IFAARN Cc1c2cc(S(=O)(=O)N3CCCC3)ccc2oc1C(=O)N1CCC2(CC1)OCCO2 ZINC000002459957 569403636 /nfs/dbraw/zinc/40/36/36/569403636.db2.gz KWXZBNDDJHKKCX-UHFFFAOYSA-N 0 0 434.514 2.505 50 0 IFAARN O=C(Cn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCC3)N1CCCC1 ZINC000002467525 569403800 /nfs/dbraw/zinc/40/38/00/569403800.db2.gz SQSIDFQMOXCBKW-UHFFFAOYSA-N 0 0 429.929 2.978 50 0 IFAARN CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)N3CCCC3)c2=O)cc1 ZINC000002466825 569403818 /nfs/dbraw/zinc/40/38/18/569403818.db2.gz IJOVGIAKNVXROR-UHFFFAOYSA-N 0 0 427.526 2.852 50 0 IFAARN O=C(Cn1cnc2ccccc21)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000225543438 569404058 /nfs/dbraw/zinc/40/40/58/569404058.db2.gz GAUWAKTXTBVUQB-UHFFFAOYSA-N 0 0 434.475 2.531 50 0 IFAARN CCOc1ccc(N2C(=O)CN(Cc3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000055387465 569404162 /nfs/dbraw/zinc/40/41/62/569404162.db2.gz ODAVZGIHVFUFMG-VQTJNVASSA-N 0 0 434.945 2.753 50 0 IFAARN O=C(CNC(=O)c1ccccc1)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1 ZINC000225561075 569404510 /nfs/dbraw/zinc/40/45/10/569404510.db2.gz NGNWYKSCWZVMBX-UHFFFAOYSA-N 0 0 449.486 2.937 50 0 IFAARN Cc1nc2ccccn2c1C(=O)N1CCC(c2cc(C(=O)NCC(F)(F)F)[nH]n2)CC1 ZINC000225564181 569404538 /nfs/dbraw/zinc/40/45/38/569404538.db2.gz LORWDIKJKAHUSP-UHFFFAOYSA-N 0 0 434.422 2.678 50 0 IFAARN O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)n[nH]1 ZINC000225564574 569404634 /nfs/dbraw/zinc/40/46/34/569404634.db2.gz CBVRVEOHIJTMON-UHFFFAOYSA-N 0 0 448.405 2.772 50 0 IFAARN COc1ccccc1CN1CC(=O)N(c2ccc(C(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000055408736 569404719 /nfs/dbraw/zinc/40/47/19/569404719.db2.gz OOQAVFDUCBBJBC-LEWJYISDSA-N 0 0 428.554 2.833 50 0 IFAARN CS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 ZINC000225616500 569405819 /nfs/dbraw/zinc/40/58/19/569405819.db2.gz FHVWEQNFSQZNGI-UHFFFAOYSA-N 0 0 426.538 2.956 50 0 IFAARN COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000225663859 569406450 /nfs/dbraw/zinc/40/64/50/569406450.db2.gz FWNXETHXFYVTPO-UHFFFAOYSA-N 0 0 427.464 2.802 50 0 IFAARN O=C(c1cccc(F)c1)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000028039718 569406487 /nfs/dbraw/zinc/40/64/87/569406487.db2.gz CYAQXMDUHYRVAH-UHFFFAOYSA-N 0 0 434.489 2.524 50 0 IFAARN CC(C)NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000028047175 569406581 /nfs/dbraw/zinc/40/65/81/569406581.db2.gz BUSUAKLWURTGRV-UHFFFAOYSA-N 0 0 436.477 2.871 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225736031 569407792 /nfs/dbraw/zinc/40/77/92/569407792.db2.gz RZTQFAAMKUHXME-ZDUSSCGKSA-N 0 0 430.404 2.714 50 0 IFAARN COc1ccc(CCNC(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1 ZINC000225742890 569407902 /nfs/dbraw/zinc/40/79/02/569407902.db2.gz ZJBMEWVDMYYBIL-UHFFFAOYSA-N 0 0 434.544 2.691 50 0 IFAARN COc1ccc(F)cc1S(=O)(=O)NC1CCN(c2nc(C)nc3c2CCCC3)CC1 ZINC000225740327 569407984 /nfs/dbraw/zinc/40/79/84/569407984.db2.gz FMDPVVISYJQBMB-UHFFFAOYSA-N 0 0 434.537 2.759 50 0 IFAARN Cc1noc(-c2cccn3c(CNS(=O)(=O)c4cccc(C(F)(F)F)c4)nnc23)n1 ZINC000225749846 569408129 /nfs/dbraw/zinc/40/81/29/569408129.db2.gz BXUGYVSAENQESM-UHFFFAOYSA-N 0 0 438.391 2.585 50 0 IFAARN COc1ccc(Br)c(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)c1 ZINC000225782203 569408534 /nfs/dbraw/zinc/40/85/34/569408534.db2.gz PLJOGJKVSIJNEU-UHFFFAOYSA-N 0 0 432.249 2.803 50 0 IFAARN CCOC(=O)Cc1cnc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)s1 ZINC000215669579 569410455 /nfs/dbraw/zinc/41/04/55/569410455.db2.gz XZOKSKYHDQSOHR-UHFFFAOYSA-N 0 0 430.511 2.730 50 0 IFAARN CCc1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC000002625181 569411478 /nfs/dbraw/zinc/41/14/78/569411478.db2.gz OPRUQJZBQJYRHB-LLVKDONJSA-N 0 0 434.465 2.911 50 0 IFAARN O=C(COC(=O)CCc1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000002625234 569411612 /nfs/dbraw/zinc/41/16/12/569411612.db2.gz RHPZBIUGQMGXDA-UHFFFAOYSA-N 0 0 441.465 2.892 50 0 IFAARN Cc1nc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)cc1Cl ZINC000002632046 569412597 /nfs/dbraw/zinc/41/25/97/569412597.db2.gz UVBSITGXRFQQQV-UHFFFAOYSA-N 0 0 446.312 2.743 50 0 IFAARN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)NC1CC1 ZINC000002644311 569413983 /nfs/dbraw/zinc/41/39/83/569413983.db2.gz XSAJHFKOHFBWBQ-UHFFFAOYSA-N 0 0 428.828 2.585 50 0 IFAARN CC(=O)Nc1sc2c(c1C(=O)OCC(=O)NCc1ccc3c(c1)OCO3)CCCC2 ZINC000002652288 569415048 /nfs/dbraw/zinc/41/50/48/569415048.db2.gz ZSMTUZCPDAGCGV-UHFFFAOYSA-N 0 0 430.482 2.787 50 0 IFAARN O=C(COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccc2c(c1)OCO2 ZINC000002656669 569415491 /nfs/dbraw/zinc/41/54/91/569415491.db2.gz VXIIOTCCORGBDB-UHFFFAOYSA-N 0 0 446.459 2.672 50 0 IFAARN Cn1c(N)c(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c(=O)n(C)c1=O ZINC000002657219 569415506 /nfs/dbraw/zinc/41/55/06/569415506.db2.gz UTUIPNBVISDSMF-UHFFFAOYSA-N 0 0 448.504 2.963 50 0 IFAARN CC(C)CN(C(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000002660296 569416040 /nfs/dbraw/zinc/41/60/40/569416040.db2.gz PDVSJFLFONBEFJ-GDBMZVCRSA-N 0 0 427.588 2.701 50 0 IFAARN NS(=O)(=O)c1ccc(CCNc2nc3ccccc3c3nc(-c4cccnc4)nn32)cc1 ZINC000002694205 569417214 /nfs/dbraw/zinc/41/72/14/569417214.db2.gz CCZHYGQHRSOQEG-UHFFFAOYSA-N 0 0 445.508 2.642 50 0 IFAARN CCOc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(N)=O)cc1 ZINC000002706349 569417583 /nfs/dbraw/zinc/41/75/83/569417583.db2.gz MGJHITRCQCMZQV-UHFFFAOYSA-N 0 0 430.559 2.943 50 0 IFAARN COCCn1c(Cc2cccn2C)nnc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000002713828 569417908 /nfs/dbraw/zinc/41/79/08/569417908.db2.gz OBIQCTKXPYWVOU-UHFFFAOYSA-N 0 0 445.545 2.602 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)Nc1ccc(F)cc1F ZINC000028721406 569418901 /nfs/dbraw/zinc/41/89/01/569418901.db2.gz ODSDRXPDMBUBRY-QFIPXVFZSA-N 0 0 439.466 2.879 50 0 IFAARN Cc1c(S(=O)(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)cc(C(=O)N2CCCC2)n1C ZINC000230052744 569419555 /nfs/dbraw/zinc/41/95/55/569419555.db2.gz DWUODAJXHKOKKH-GOSISDBHSA-N 0 0 444.601 2.777 50 0 IFAARN CN(C)S(=O)(=O)c1cc(C(=O)NCCCn2cc(Cl)cn2)c(Cl)cc1Cl ZINC000002793210 569421956 /nfs/dbraw/zinc/42/19/56/569421956.db2.gz XUWRUPBQAAZECU-UHFFFAOYSA-N 0 0 439.752 2.914 50 0 IFAARN COCCCNC(=O)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccco1 ZINC000002938482 569426371 /nfs/dbraw/zinc/42/63/71/569426371.db2.gz UHESSVVWHIVDIB-OAHLLOKOSA-N 0 0 445.335 2.605 50 0 IFAARN COc1ccc2[nH]c(CN3CCN(C(=O)C4(c5ccccc5)CCOCC4)CC3)nc2c1 ZINC000056905883 569427493 /nfs/dbraw/zinc/42/74/93/569427493.db2.gz BVAHZQKWHLKADF-UHFFFAOYSA-N 0 0 434.540 2.964 50 0 IFAARN Cc1ccc(N2C[C@H](NC(=O)NCCN3CCN(c4ccccc4)CC3)CC2=O)cc1C ZINC000056925355 569427739 /nfs/dbraw/zinc/42/77/39/569427739.db2.gz CNXNFFOVJRBNKE-OAQYLSRUSA-N 0 0 435.572 2.530 50 0 IFAARN O=C(NCc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945120 569428001 /nfs/dbraw/zinc/42/80/01/569428001.db2.gz VTJOMLMEAWXUKA-JOCHJYFZSA-N 0 0 432.524 2.576 50 0 IFAARN CC(C)CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000056945704 569428191 /nfs/dbraw/zinc/42/81/91/569428191.db2.gz VILJSFVRMXSBGZ-HXUWFJFHSA-N 0 0 430.524 2.561 50 0 IFAARN CC1CCN(C(=O)COc2coc(CN3CCN(c4ccccc4F)CC3)cc2=O)CC1 ZINC000056949789 569428259 /nfs/dbraw/zinc/42/82/59/569428259.db2.gz WQGRITIYQMWPIC-UHFFFAOYSA-N 0 0 443.519 2.738 50 0 IFAARN CC1CCN(C(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)CC1 ZINC000056949788 569428296 /nfs/dbraw/zinc/42/82/96/569428296.db2.gz MKCKHXOPUURCMF-UHFFFAOYSA-N 0 0 425.529 2.599 50 0 IFAARN CCCCCn1c(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952428 569428473 /nfs/dbraw/zinc/42/84/73/569428473.db2.gz HNLABOMRRPYWLX-UHFFFAOYSA-N 0 0 444.967 2.589 50 0 IFAARN COc1ccccc1N1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000057293246 569430449 /nfs/dbraw/zinc/43/04/49/569430449.db2.gz NRFBMZKVGCAWRC-HXUWFJFHSA-N 0 0 437.540 2.952 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](C)c1ccccc1Cl ZINC000057312334 569430720 /nfs/dbraw/zinc/43/07/20/569430720.db2.gz UDEKJDMJOIYCGF-CYBMUJFWSA-N 0 0 425.938 2.888 50 0 IFAARN COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)NCc1ccc(C)cc1)c2=O ZINC000002952083 569432142 /nfs/dbraw/zinc/43/21/42/569432142.db2.gz AQFUQQNJZIKOIU-UHFFFAOYSA-N 0 0 437.496 2.662 50 0 IFAARN Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccccc3I)oc12 ZINC000002952969 569432218 /nfs/dbraw/zinc/43/22/18/569432218.db2.gz SVWKRLABABOMJI-FXBPSFAMSA-N 0 0 435.221 2.564 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)c1 ZINC000057412941 569433757 /nfs/dbraw/zinc/43/37/57/569433757.db2.gz OHEUWMANFQWBSP-UHFFFAOYSA-N 0 0 439.424 2.919 50 0 IFAARN COC(=O)C1C(CN2CCN(c3cccc(C)c3C)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414242 569433798 /nfs/dbraw/zinc/43/37/98/569433798.db2.gz NQXABCZTFGLNQI-HSZRJFAPSA-N 0 0 434.540 2.907 50 0 IFAARN COCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2ccsc2c1=O ZINC000057425730 569434491 /nfs/dbraw/zinc/43/44/91/569434491.db2.gz OIMMSRJRRYRNJD-UHFFFAOYSA-N 0 0 433.511 2.622 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCC[C@@H](C)C3)c2=O)c1 ZINC000057426863 569434720 /nfs/dbraw/zinc/43/47/20/569434720.db2.gz MPNLVMXOVHCNJS-OAHLLOKOSA-N 0 0 427.526 2.540 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCc4ccccc43)c2=O)c1 ZINC000057426875 569434733 /nfs/dbraw/zinc/43/47/33/569434733.db2.gz HFOFPCLMQVSQBF-UHFFFAOYSA-N 0 0 447.516 2.871 50 0 IFAARN CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)cc1 ZINC000057428169 569434813 /nfs/dbraw/zinc/43/48/13/569434813.db2.gz PVXARDKIBMEZBG-UHFFFAOYSA-N 0 0 439.493 2.581 50 0 IFAARN CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000057428144 569434819 /nfs/dbraw/zinc/43/48/19/569434819.db2.gz YKNULHBZUCHHOG-UHFFFAOYSA-N 0 0 427.526 2.731 50 0 IFAARN CN(C(=O)Cn1c2ccsc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O)c1ccccc1 ZINC000057428187 569434879 /nfs/dbraw/zinc/43/48/79/569434879.db2.gz AADCSVONEGVHFJ-UHFFFAOYSA-N 0 0 449.488 2.665 50 0 IFAARN O=C(Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O)NCc1ccc(F)cc1 ZINC000057429059 569435068 /nfs/dbraw/zinc/43/50/68/569435068.db2.gz BKTAFJWGOGGQPY-UHFFFAOYSA-N 0 0 445.422 2.948 50 0 IFAARN Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000057489826 569437074 /nfs/dbraw/zinc/43/70/74/569437074.db2.gz TZTYENDHFYIQCA-UHFFFAOYSA-N 0 0 449.488 2.567 50 0 IFAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NCc2ccc(F)cc2)c1=O ZINC000057490821 569437276 /nfs/dbraw/zinc/43/72/76/569437276.db2.gz YSJQQSOJEZGLNB-UHFFFAOYSA-N 0 0 439.468 2.678 50 0 IFAARN O=C(Cn1c2ccsc2c(=O)n(CCc2cccs2)c1=O)NCc1ccccc1 ZINC000057493673 569437551 /nfs/dbraw/zinc/43/75/51/569437551.db2.gz WZWQFJOPHVKDAM-UHFFFAOYSA-N 0 0 425.535 2.845 50 0 IFAARN Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5CCCC[C@@H]5C)nc34)n2)c1 ZINC000057494870 569437797 /nfs/dbraw/zinc/43/77/97/569437797.db2.gz GYMIGPJOJPGDGB-INIZCTEOSA-N 0 0 432.484 2.922 50 0 IFAARN CCN(CC)C(=O)Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O ZINC000057504448 569438135 /nfs/dbraw/zinc/43/81/35/569438135.db2.gz NNTQIEKZYAANIP-UHFFFAOYSA-N 0 0 426.864 2.735 50 0 IFAARN CC[C@H]1CCCCN1C(=O)Cn1nc2cc(C)nc(N3CCc4ccccc4C3)n2c1=O ZINC000057505797 569438210 /nfs/dbraw/zinc/43/82/10/569438210.db2.gz TUBCAVBEVAQRAA-FQEVSTJZSA-N 0 0 434.544 2.553 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)Cn1nc2cc(C)nc(N3CCc4ccccc4C3)n2c1=O ZINC000057505795 569438213 /nfs/dbraw/zinc/43/82/13/569438213.db2.gz TUBCAVBEVAQRAA-HXUWFJFHSA-N 0 0 434.544 2.553 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)Cn2c(=O)cc(C)nc2N2CCc3ccccc3C2)c1 ZINC000057506655 569438251 /nfs/dbraw/zinc/43/82/51/569438251.db2.gz MSTMMPDKBGYCAX-UHFFFAOYSA-N 0 0 431.496 2.712 50 0 IFAARN COc1ccc(CNC(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)cc1 ZINC000057511170 569438551 /nfs/dbraw/zinc/43/85/51/569438551.db2.gz XJTNSRRMFWOFBH-UHFFFAOYSA-N 0 0 435.505 2.768 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2ccccc2n2c(nnc2C(C)C)c1=O ZINC000057522518 569439008 /nfs/dbraw/zinc/43/90/08/569439008.db2.gz MASOWNARTURGTL-UHFFFAOYSA-N 0 0 433.468 2.983 50 0 IFAARN CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2C(=O)OC)c1=O ZINC000057525767 569439097 /nfs/dbraw/zinc/43/90/97/569439097.db2.gz MXIAENJFIZVROD-UHFFFAOYSA-N 0 0 429.860 2.652 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)cc(CC)nc2-c2cccc(Cl)c2)C1 ZINC000057527555 569439184 /nfs/dbraw/zinc/43/91/84/569439184.db2.gz NRXIEEFSKDUXST-INIZCTEOSA-N 0 0 431.920 2.928 50 0 IFAARN CCOc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000057738403 569441169 /nfs/dbraw/zinc/44/11/69/569441169.db2.gz PLYIDAGUNBEPRI-WOJBJXKFSA-N 0 0 434.945 2.753 50 0 IFAARN CCOc1cc2c(cc1OCC)CN(CN1C(=O)C(=O)N(Cc3cccs3)C1=O)CC2 ZINC000030281870 569441441 /nfs/dbraw/zinc/44/14/41/569441441.db2.gz YUBXSKVKUZAJCJ-UHFFFAOYSA-N 0 0 443.525 2.852 50 0 IFAARN C[C@H](Nc1cccc2c1CCCC2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000057788823 569441496 /nfs/dbraw/zinc/44/14/96/569441496.db2.gz VVOPUXPMYJRHIJ-SFHVURJKSA-N 0 0 427.570 2.899 50 0 IFAARN C[C@@H](Nc1cccc2c1CCCC2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000057788825 569441519 /nfs/dbraw/zinc/44/15/19/569441519.db2.gz VVOPUXPMYJRHIJ-GOSISDBHSA-N 0 0 427.570 2.899 50 0 IFAARN CCOc1ccccc1N1CCN(CC(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000057851795 569441964 /nfs/dbraw/zinc/44/19/64/569441964.db2.gz FYHQHIXJINJANC-UHFFFAOYSA-N 0 0 427.545 2.583 50 0 IFAARN O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCC(=O)c1ccc(F)cc1 ZINC000003266497 569443437 /nfs/dbraw/zinc/44/34/37/569443437.db2.gz CBTKNLRCDLFSIB-UHFFFAOYSA-N 0 0 433.379 2.939 50 0 IFAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003274822 569443662 /nfs/dbraw/zinc/44/36/62/569443662.db2.gz KSXMWKILSZXDJD-UHFFFAOYSA-N 0 0 432.476 2.939 50 0 IFAARN O=C(Nc1nnc([C@H]2CCCO2)o1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000227807275 569443884 /nfs/dbraw/zinc/44/38/84/569443884.db2.gz TXXVPVRILZKAOK-WDEREUQCSA-N 0 0 446.938 2.675 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)c(O)c1 ZINC000057988042 569444011 /nfs/dbraw/zinc/44/40/11/569444011.db2.gz XNKQPHMOILXSSW-FQEVSTJZSA-N 0 0 434.514 2.804 50 0 IFAARN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)N1CCCC1 ZINC000003286749 569444149 /nfs/dbraw/zinc/44/41/49/569444149.db2.gz GEZQAXSGTKKFGF-UHFFFAOYSA-N 0 0 442.855 2.928 50 0 IFAARN NS(=O)(=O)Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1 ZINC000058005541 569444660 /nfs/dbraw/zinc/44/46/60/569444660.db2.gz LEHMGMXEUBGUTE-UHFFFAOYSA-N 0 0 428.489 2.931 50 0 IFAARN O=C(CSc1ccccc1C(=O)N1CCN(Cc2cscn2)CC1)N1CCCC1 ZINC000058009972 569444811 /nfs/dbraw/zinc/44/48/11/569444811.db2.gz BFHJRWVUQPFATG-UHFFFAOYSA-N 0 0 430.599 2.816 50 0 IFAARN CC[NH+]1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000058009412 569444824 /nfs/dbraw/zinc/44/48/24/569444824.db2.gz YSCUDZRLIMXUAU-UHFFFAOYSA-N 0 0 425.457 2.606 50 0 IFAARN COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000003300422 569445002 /nfs/dbraw/zinc/44/50/02/569445002.db2.gz RTWMWGQNZSBNIF-UHFFFAOYSA-N 0 0 445.781 2.674 50 0 IFAARN COc1ccc2oc(C(=O)O[C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)c2c1 ZINC000003301353 569445027 /nfs/dbraw/zinc/44/50/27/569445027.db2.gz WPNPDIJYUIMXJE-OAHLLOKOSA-N 0 0 440.452 2.873 50 0 IFAARN CCOC(=O)c1ccn(-c2ccc(NS(=O)(=O)c3cccc(C(=O)OC)c3)cc2)n1 ZINC000058017074 569445031 /nfs/dbraw/zinc/44/50/31/569445031.db2.gz WAUUAQJXTXWRQC-UHFFFAOYSA-N 0 0 429.454 2.636 50 0 IFAARN CN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000003315594 569445676 /nfs/dbraw/zinc/44/56/76/569445676.db2.gz SSIVWCQGUCMFNK-UHFFFAOYSA-N 0 0 436.917 2.944 50 0 IFAARN CCOC(=O)C1=C(CN2CCc3cc(OC)c(OC)cc3C2)NC(=O)N[C@H]1c1ccco1 ZINC000030673072 569446100 /nfs/dbraw/zinc/44/61/00/569446100.db2.gz DRTHYXXFKGZSHW-NRFANRHFSA-N 0 0 441.484 2.526 50 0 IFAARN Nn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccc(Cl)cc1Cl ZINC000003327713 569446273 /nfs/dbraw/zinc/44/62/73/569446273.db2.gz TUFBJCBJJKHZFO-UHFFFAOYSA-N 0 0 429.333 2.826 50 0 IFAARN CC(C)CN(C(=O)COC(=O)c1csc2c1CC[C@@H](C)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000003328643 569446339 /nfs/dbraw/zinc/44/63/39/569446339.db2.gz RWGXKNDZSFKDEH-HUUCEWRRSA-N 0 0 427.588 2.701 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000003343897 569446985 /nfs/dbraw/zinc/44/69/85/569446985.db2.gz DOKRXVMFFTXBMO-QGZVFWFLSA-N 0 0 444.509 2.607 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000003347484 569447229 /nfs/dbraw/zinc/44/72/29/569447229.db2.gz PEPWVXLJWWTURE-NRFANRHFSA-N 0 0 442.537 2.819 50 0 IFAARN C[C@H](Oc1nncc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003352964 569447456 /nfs/dbraw/zinc/44/74/56/569447456.db2.gz CKXPXJNBIBVRJP-HNNXBMFYSA-N 0 0 426.498 2.820 50 0 IFAARN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c1 ZINC000003358215 569447685 /nfs/dbraw/zinc/44/76/85/569447685.db2.gz FJJLFFUSDMVUEN-UHFFFAOYSA-N 0 0 448.526 2.644 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccc2c(c1)CCC2 ZINC000003359082 569447745 /nfs/dbraw/zinc/44/77/45/569447745.db2.gz YMEQXYLTAHBFMI-UHFFFAOYSA-N 0 0 428.510 2.755 50 0 IFAARN O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1 ZINC000058136275 569448338 /nfs/dbraw/zinc/44/83/38/569448338.db2.gz VZTWQJDXAMLVBA-HSZRJFAPSA-N 0 0 429.524 2.700 50 0 IFAARN O=C(COC(=O)CSc1ccc2ccccc2c1)NC(=O)[C@H]1COc2ccccc2O1 ZINC000003373634 569448568 /nfs/dbraw/zinc/44/85/68/569448568.db2.gz YDFUTKYINARXEM-HXUWFJFHSA-N 0 0 437.473 2.958 50 0 IFAARN O=C(OCc1cc(=O)n2ccsc2n1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000003372836 569448581 /nfs/dbraw/zinc/44/85/81/569448581.db2.gz DPFQLFDJAJMYOI-UHFFFAOYSA-N 0 0 435.417 2.502 50 0 IFAARN COC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000003377662 569448660 /nfs/dbraw/zinc/44/86/60/569448660.db2.gz DNLYGEKVQCGPLT-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000058167779 569449493 /nfs/dbraw/zinc/44/94/93/569449493.db2.gz BHNUJWGKKIVIAT-CYBMUJFWSA-N 0 0 433.421 2.817 50 0 IFAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2nnc(N)s2)cc1 ZINC000003403677 569449824 /nfs/dbraw/zinc/44/98/24/569449824.db2.gz AHCDLNUPYMXBRE-UHFFFAOYSA-N 0 0 443.554 2.832 50 0 IFAARN Cc1nnc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n1-c1ccccc1 ZINC000003409800 569450051 /nfs/dbraw/zinc/45/00/51/569450051.db2.gz TZICRILBRDUQKN-UHFFFAOYSA-N 0 0 425.470 2.787 50 0 IFAARN CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1=O ZINC000003413352 569450145 /nfs/dbraw/zinc/45/01/45/569450145.db2.gz VNLRWDUILBCDQZ-UHFFFAOYSA-N 0 0 441.871 2.956 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)n1 ZINC000003419797 569450373 /nfs/dbraw/zinc/45/03/73/569450373.db2.gz JACQRPMHTMDYPZ-UHFFFAOYSA-N 0 0 443.467 2.519 50 0 IFAARN CCc1cc2c(COC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)cc(=O)oc2cc1O ZINC000003422055 569450474 /nfs/dbraw/zinc/45/04/74/569450474.db2.gz WCHJBJJYGMIVFJ-UHFFFAOYSA-N 0 0 445.493 2.733 50 0 IFAARN O=C(COc1ncnc2sc3c(c21)CCCC3)N1CCN(C(=O)c2ccco2)CC1 ZINC000003423397 569450484 /nfs/dbraw/zinc/45/04/84/569450484.db2.gz AUSSEDPNTBDHDD-UHFFFAOYSA-N 0 0 426.498 2.527 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(C(=O)N(c2ccc(S(C)(=O)=O)cc2)C(C)C)cc1 ZINC000058218863 569450782 /nfs/dbraw/zinc/45/07/82/569450782.db2.gz YCWGOEOWIHOBSC-UHFFFAOYSA-N 0 0 438.571 2.832 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)CCO2 ZINC000031342896 569456118 /nfs/dbraw/zinc/45/61/18/569456118.db2.gz XPBLEJKQGFMUFX-UHFFFAOYSA-N 0 0 425.304 2.691 50 0 IFAARN Cc1nn2c(nc(COC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)cc2=O)s1 ZINC000003433552 569450918 /nfs/dbraw/zinc/45/09/18/569450918.db2.gz NVAJZZLOGVZAJF-IBGZPJMESA-N 0 0 448.504 2.544 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(F)ccc1F ZINC000003437005 569451026 /nfs/dbraw/zinc/45/10/26/569451026.db2.gz HDGOGAJMPQFOOQ-UHFFFAOYSA-N 0 0 438.452 2.935 50 0 IFAARN CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003438584 569451106 /nfs/dbraw/zinc/45/11/06/569451106.db2.gz OCVMQZYRMSKZSH-UHFFFAOYSA-N 0 0 438.933 2.512 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC(=O)Nc2c(C)cccc2C)C(C)C)cc1 ZINC000003448355 569451495 /nfs/dbraw/zinc/45/14/95/569451495.db2.gz JJPMSWDNGSGWEF-HXUWFJFHSA-N 0 0 431.558 2.670 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1 ZINC000003449412 569451571 /nfs/dbraw/zinc/45/15/71/569451571.db2.gz FIRFILHRWJYCLF-UHFFFAOYSA-N 0 0 448.504 2.888 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)N1CCc2ccccc21 ZINC000003453804 569451711 /nfs/dbraw/zinc/45/17/11/569451711.db2.gz CDGLDVQATRYNJL-UHFFFAOYSA-N 0 0 442.537 2.916 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1 ZINC000003456689 569451842 /nfs/dbraw/zinc/45/18/42/569451842.db2.gz PCFSXCVNUWVDOZ-QFIPXVFZSA-N 0 0 442.903 2.513 50 0 IFAARN COc1ccc(-c2cc(C(=O)OCC(=O)N3CCOCC3)c3ccccc3n2)cc1OC ZINC000003463955 569451956 /nfs/dbraw/zinc/45/19/56/569451956.db2.gz PULACCVQLWHVHI-UHFFFAOYSA-N 0 0 436.464 2.935 50 0 IFAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)cc2C1=O ZINC000003475605 569452153 /nfs/dbraw/zinc/45/21/53/569452153.db2.gz BRHOUCCXNQDCHB-HOTGVXAUSA-N 0 0 436.464 2.588 50 0 IFAARN O=C(CSc1nnc(-c2cccnc2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003477816 569452224 /nfs/dbraw/zinc/45/22/24/569452224.db2.gz MAHZJJBWHZPPNJ-UHFFFAOYSA-N 0 0 430.511 2.891 50 0 IFAARN CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(OC)c1 ZINC000003489469 569452468 /nfs/dbraw/zinc/45/24/68/569452468.db2.gz JEXIMPHCVJQTDF-UHFFFAOYSA-N 0 0 441.513 2.889 50 0 IFAARN CCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC ZINC000003492457 569452612 /nfs/dbraw/zinc/45/26/12/569452612.db2.gz RNCFSDVFZGPRFM-UHFFFAOYSA-N 0 0 426.498 2.641 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CCCN(C)S(=O)(=O)c1cccs1)CC2 ZINC000031035562 569452711 /nfs/dbraw/zinc/45/27/11/569452711.db2.gz ZQPOYEGXZMHPTI-UHFFFAOYSA-N 0 0 438.571 2.751 50 0 IFAARN Cc1cc(OC2CN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)cc(=O)n1C ZINC000217758523 569452810 /nfs/dbraw/zinc/45/28/10/569452810.db2.gz WRNCVRXOUYMKNM-UHFFFAOYSA-N 0 0 436.839 2.818 50 0 IFAARN COc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1F ZINC000003511274 569452992 /nfs/dbraw/zinc/45/29/92/569452992.db2.gz YUQNMVOVWIIICK-UHFFFAOYSA-N 0 0 443.880 2.866 50 0 IFAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003520144 569453185 /nfs/dbraw/zinc/45/31/85/569453185.db2.gz JGRWPVMHRSOPHQ-UHFFFAOYSA-N 0 0 437.525 2.814 50 0 IFAARN C[C@@H](OC(=O)c1c2c(nc3ccccc31)CCC2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003521540 569453240 /nfs/dbraw/zinc/45/32/40/569453240.db2.gz PQHXUPPMCXPBIH-CYBMUJFWSA-N 0 0 439.493 2.555 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC[C@@H](C)c1ccccc1 ZINC000031084290 569453305 /nfs/dbraw/zinc/45/33/05/569453305.db2.gz JRVCQVIDQHRILS-GOSISDBHSA-N 0 0 429.586 3.000 50 0 IFAARN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCC(=O)NC(N)=O)c12 ZINC000003531794 569453423 /nfs/dbraw/zinc/45/34/23/569453423.db2.gz FWEFTCUALULQFS-UHFFFAOYSA-N 0 0 435.465 2.809 50 0 IFAARN O=c1cc(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)nc2sccn21 ZINC000003533989 569453474 /nfs/dbraw/zinc/45/34/74/569453474.db2.gz OXHZMELUEPSKCP-CQSZACIVSA-N 0 0 426.523 2.937 50 0 IFAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CCc2ccccc21 ZINC000003544599 569453691 /nfs/dbraw/zinc/45/36/91/569453691.db2.gz TYBKHXXIVUJZCI-QGZVFWFLSA-N 0 0 442.537 2.996 50 0 IFAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)n1 ZINC000003547354 569453722 /nfs/dbraw/zinc/45/37/22/569453722.db2.gz HSGJMLLISSTRQR-UHFFFAOYSA-N 0 0 442.516 2.775 50 0 IFAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)N1CCN(c2ccccn2)CC1 ZINC000031173075 569454331 /nfs/dbraw/zinc/45/43/31/569454331.db2.gz WJZVLACWIIVEPN-UHFFFAOYSA-N 0 0 444.557 2.942 50 0 IFAARN O=C(c1ccco1)N1CCC[C@@H](C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)C1 ZINC000031191467 569454612 /nfs/dbraw/zinc/45/46/12/569454612.db2.gz DWNXXYFXWHANBV-JOCHJYFZSA-N 0 0 449.551 2.955 50 0 IFAARN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000031210957 569454845 /nfs/dbraw/zinc/45/48/45/569454845.db2.gz VEILYFHCHOBEEV-AWEZNQCLSA-N 0 0 426.330 2.747 50 0 IFAARN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000031210954 569454880 /nfs/dbraw/zinc/45/48/80/569454880.db2.gz VEILYFHCHOBEEV-CQSZACIVSA-N 0 0 426.330 2.747 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000003601495 569454890 /nfs/dbraw/zinc/45/48/90/569454890.db2.gz BZXYOVZCBJERAB-JOCHJYFZSA-N 0 0 440.477 2.974 50 0 IFAARN NC(=O)NCc1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000031296780 569455616 /nfs/dbraw/zinc/45/56/16/569455616.db2.gz WHEIZGKEHHPJHU-UHFFFAOYSA-N 0 0 441.841 2.885 50 0 IFAARN C[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000031397948 569456231 /nfs/dbraw/zinc/45/62/31/569456231.db2.gz UVRNANPPYOFGDI-NSHDSACASA-N 0 0 434.290 2.998 50 0 IFAARN CC(C)N(Cc1ccccc1)C(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O ZINC000031451375 569456500 /nfs/dbraw/zinc/45/65/00/569456500.db2.gz KFYUXQAFBGUGFZ-UHFFFAOYSA-N 0 0 434.418 2.551 50 0 IFAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1=O)C2=O ZINC000031495858 569456579 /nfs/dbraw/zinc/45/65/79/569456579.db2.gz TXDZFLLPGZMCMP-NPMXOYFQSA-N 0 0 426.517 2.889 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000031530781 569456666 /nfs/dbraw/zinc/45/66/66/569456666.db2.gz QHQVFAVUPHINAA-UHFFFAOYSA-N 0 0 448.585 2.613 50 0 IFAARN COC(=O)c1sccc1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000031745332 569457203 /nfs/dbraw/zinc/45/72/03/569457203.db2.gz QDILSNXAQPFQDI-UHFFFAOYSA-N 0 0 425.260 2.661 50 0 IFAARN COc1ccc(N2C(=O)CN(Cc3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000031773807 569457378 /nfs/dbraw/zinc/45/73/78/569457378.db2.gz YHPSDJWBPKATFP-RBUKOAKNSA-N 0 0 434.945 2.671 50 0 IFAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)CCn3cnc4ccccc4c3=O)c2)n1 ZINC000031789394 569457400 /nfs/dbraw/zinc/45/74/00/569457400.db2.gz JYUNYFROSNNGSK-UHFFFAOYSA-N 0 0 431.452 2.788 50 0 IFAARN O=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000031790971 569457439 /nfs/dbraw/zinc/45/74/39/569457439.db2.gz OYQPJYCFSZEKAT-UHFFFAOYSA-N 0 0 427.848 2.763 50 0 IFAARN CN1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)[C@H](c2ccccc2)C1 ZINC000032058935 569458993 /nfs/dbraw/zinc/45/89/93/569458993.db2.gz NQAWEYNYAGOLDL-SFHVURJKSA-N 0 0 444.329 2.690 50 0 IFAARN COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000004108350 569459115 /nfs/dbraw/zinc/45/91/15/569459115.db2.gz LNRRHEGBTGNKRX-BLRYILKCSA-N 0 0 426.465 2.651 50 0 IFAARN O=C(Nc1ccccn1)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000032069972 569459170 /nfs/dbraw/zinc/45/91/70/569459170.db2.gz JHHINUWMMFIMHB-TZIWHRDSSA-N 0 0 428.492 2.801 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3ccc(C(F)(F)F)cc3)CC2=O)cc1 ZINC000032096531 569459895 /nfs/dbraw/zinc/45/98/95/569459895.db2.gz UYMKWUWQHLEDQR-CYBMUJFWSA-N 0 0 435.402 2.822 50 0 IFAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(c4ncc(Br)cn4)CC3)c2c1 ZINC000032105920 569460272 /nfs/dbraw/zinc/46/02/72/569460272.db2.gz STRZKCDGNITYOP-QGZVFWFLSA-N 0 0 446.305 2.677 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC ZINC000032124333 569460401 /nfs/dbraw/zinc/46/04/01/569460401.db2.gz JUTSJPMJJCXQLC-UGKGYDQZSA-N 0 0 434.496 2.860 50 0 IFAARN COc1ccc(CCNC(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)cc1OC ZINC000032124529 569460440 /nfs/dbraw/zinc/46/04/40/569460440.db2.gz YPQBVGVINUPQOK-UHFFFAOYSA-N 0 0 437.496 2.998 50 0 IFAARN COC(=O)[C@](NC(=O)c1ccccc1)(Nc1sc2c(c1C(N)=O)CCC2)C(F)(F)F ZINC000004177285 569460674 /nfs/dbraw/zinc/46/06/74/569460674.db2.gz XQDOIQCKLKBXRZ-SFHVURJKSA-N 0 0 441.431 2.609 50 0 IFAARN CN1N=C(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCC1=O ZINC000032214514 569460883 /nfs/dbraw/zinc/46/08/83/569460883.db2.gz JYSYHONCWWVSBP-UHFFFAOYSA-N 0 0 426.467 2.807 50 0 IFAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN21 ZINC000229617381 569461026 /nfs/dbraw/zinc/46/10/26/569461026.db2.gz UCASHEFULBEDKL-HCXYKTFWSA-N 0 0 438.281 2.917 50 0 IFAARN C[C@@H]1CN(C(=O)C2CCN(C(=O)/C=C\c3cc4c(c(Cl)c3)OCO4)CC2)C[C@@H](C)O1 ZINC000229631711 569461096 /nfs/dbraw/zinc/46/10/96/569461096.db2.gz YUPDJHXWGXEDOX-LPUOJRKPSA-N 0 0 434.920 2.956 50 0 IFAARN COc1cc(C(=O)OCC(=O)NCc2ccccc2Br)cc(OC)c1OC ZINC000067197549 569464462 /nfs/dbraw/zinc/46/44/62/569464462.db2.gz BYRKNTRPUOZYBR-UHFFFAOYSA-N 0 0 438.274 2.948 50 0 IFAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4ccccc4C(C)C)c(=O)c3s2)CC1 ZINC000067225989 569465220 /nfs/dbraw/zinc/46/52/20/569465220.db2.gz LOSWETVDCBEBIT-UHFFFAOYSA-N 0 0 440.573 2.757 50 0 IFAARN CC(C)c1cccc(NC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)c1 ZINC000067226405 569465258 /nfs/dbraw/zinc/46/52/58/569465258.db2.gz GORRLLRFMMSDEU-UHFFFAOYSA-N 0 0 427.530 2.519 50 0 IFAARN Cn1cc(-c2ccccc2)c2c1c(=O)n(C)c(=O)n2CC(=O)N1CCCc2ccccc21 ZINC000067235211 569465312 /nfs/dbraw/zinc/46/53/12/569465312.db2.gz NPYXRNRLDNIVFF-UHFFFAOYSA-N 0 0 428.492 2.685 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c2c(-c3ccccc3)cn(C)c2c(=O)n(C)c1=O ZINC000067235332 569465341 /nfs/dbraw/zinc/46/53/41/569465341.db2.gz WENJFPUXQKBUFM-GOSISDBHSA-N 0 0 444.535 2.843 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)N4CCOc5ccc(C)cc54)c(=O)n3c(C)n2)cc1 ZINC000067226579 569465357 /nfs/dbraw/zinc/46/53/57/569465357.db2.gz FKRJXSXIJGKTRZ-UHFFFAOYSA-N 0 0 445.479 2.609 50 0 IFAARN CSc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4)c3=O)n2)cc1 ZINC000038652178 569465755 /nfs/dbraw/zinc/46/57/55/569465755.db2.gz DMEZMFUCGGFXDW-UHFFFAOYSA-N 0 0 431.481 2.857 50 0 IFAARN CCOc1ccc(-n2ccn(CC(=O)Nc3cccc(Br)c3)c(=O)c2=O)cc1 ZINC000067256061 569466030 /nfs/dbraw/zinc/46/60/30/569466030.db2.gz PIQLWCWMWRPTRC-UHFFFAOYSA-N 0 0 444.285 2.799 50 0 IFAARN O=C(c1n[nH]nc1Nc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000067284306 569466784 /nfs/dbraw/zinc/46/67/84/569466784.db2.gz QHYGARNGCMAVFI-UHFFFAOYSA-N 0 0 440.891 2.888 50 0 IFAARN CCOc1cc([C@H]2NC(=O)NC(CN3CCc4ccccc4C3)=C2C(=O)OC)ccc1O ZINC000067285614 569466940 /nfs/dbraw/zinc/46/69/40/569466940.db2.gz YVEJJLMTUCLNEH-JOCHJYFZSA-N 0 0 437.496 2.630 50 0 IFAARN CCOC(=O)C1CCN(CC2=NC(=O)N[C@H](c3ccc(CC)cc3)C2C(=O)OCC)CC1 ZINC000067286545 569466998 /nfs/dbraw/zinc/46/69/98/569466998.db2.gz QRSHHQMFOIMORK-OAQYLSRUSA-N 0 0 443.544 2.695 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000067287369 569467274 /nfs/dbraw/zinc/46/72/74/569467274.db2.gz ISIUMSCHHUNPSC-OAQYLSRUSA-N 0 0 447.532 2.615 50 0 IFAARN Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)N[C@H]3CCc4ccccc43)C3=C2C(=O)OC3)c1 ZINC000067288913 569467455 /nfs/dbraw/zinc/46/74/55/569467455.db2.gz DJCXHLMRMSEOHT-CVDCTZTESA-N 0 0 431.492 2.984 50 0 IFAARN CCS(=O)(=O)N1CCCc2cc(NC(=O)CCS(=O)(=O)c3ccccc3)ccc21 ZINC000038700206 569467672 /nfs/dbraw/zinc/46/76/72/569467672.db2.gz ZMPQYUMLGBTDID-UHFFFAOYSA-N 0 0 436.555 2.591 50 0 IFAARN CCCCOc1ccc(-c2cc3c4nn(CC(=O)N[C@H](C)CC)c(=O)n4ccn3n2)cc1 ZINC000067290645 569467686 /nfs/dbraw/zinc/46/76/86/569467686.db2.gz POZCLJJZLNVYAH-MRXNPFEDSA-N 0 0 436.516 2.904 50 0 IFAARN COc1cccc(CNC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)c1 ZINC000067301697 569468327 /nfs/dbraw/zinc/46/83/27/569468327.db2.gz KMROGNOBBXPGDM-UHFFFAOYSA-N 0 0 441.915 2.732 50 0 IFAARN O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)Nc2ccc(-n3cnnn3)cc2)cs1 ZINC000038739485 569468419 /nfs/dbraw/zinc/46/84/19/569468419.db2.gz KHMQQFQAFDGTDP-IZZDOVSWSA-N 0 0 431.481 2.952 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)N[C@H](C)c4cccc(OC)c4)c(=O)n3c(C)n2)cc1 ZINC000067319442 569468513 /nfs/dbraw/zinc/46/85/13/569468513.db2.gz SDOKKEIFTHKDTP-OAHLLOKOSA-N 0 0 447.495 2.761 50 0 IFAARN Cc1cnc2n(c1=O)[C@H](CC(=O)NCc1cc(-c3ccc4c(c3)O[C@H](C)C4)on1)CS2 ZINC000038755195 569468852 /nfs/dbraw/zinc/46/88/52/569468852.db2.gz RUAZTLGRLPVARR-CXAGYDPISA-N 0 0 438.509 2.883 50 0 IFAARN Cc1cccc(S(=O)(=O)c2cnc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc2N)c1 ZINC000067336374 569468904 /nfs/dbraw/zinc/46/89/04/569468904.db2.gz BHTFCPCMZAOIIT-UHFFFAOYSA-N 0 0 447.561 2.694 50 0 IFAARN CCOC(=O)c1sc(NC=C(C(=O)OC)S(=O)(=O)c2ccc(OC)cc2)nc1C ZINC000067340392 569468996 /nfs/dbraw/zinc/46/89/96/569468996.db2.gz RAPKRRRSMVXMJW-GXDHUFHOSA-N 0 0 440.499 2.537 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000038835166 569469234 /nfs/dbraw/zinc/46/92/34/569469234.db2.gz KEQSBQCWQIYJGU-KRWDZBQOSA-N 0 0 438.889 2.682 50 0 IFAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1 ZINC000008643957 569469602 /nfs/dbraw/zinc/46/96/02/569469602.db2.gz RQONXXPOOPQRLI-DEOSSOPVSA-N 0 0 436.512 2.883 50 0 IFAARN COc1cc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)cc(OC)c1 ZINC000008662167 569469929 /nfs/dbraw/zinc/46/99/29/569469929.db2.gz QTAXBYVLCHGYCZ-UHFFFAOYSA-N 0 0 437.481 2.857 50 0 IFAARN CC(C)NC(=O)CNC(=O)COC(=O)c1ccccc1NCCc1ccc(Cl)cc1 ZINC000008707936 569470623 /nfs/dbraw/zinc/47/06/23/569470623.db2.gz CESIHGHQEFESJB-UHFFFAOYSA-N 0 0 431.920 2.792 50 0 IFAARN Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)c1 ZINC000008720783 569471658 /nfs/dbraw/zinc/47/16/58/569471658.db2.gz ZZVJGUMGQJCLDC-UHFFFAOYSA-N 0 0 425.466 2.850 50 0 IFAARN C[C@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000008721476 569471695 /nfs/dbraw/zinc/47/16/95/569471695.db2.gz VDGUDRHYWMXKPS-INIZCTEOSA-N 0 0 440.548 2.551 50 0 IFAARN O=C(CCn1nc(-c2cccs2)oc1=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000008724302 569471934 /nfs/dbraw/zinc/47/19/34/569471934.db2.gz JZIJHRVERPOHFG-UHFFFAOYSA-N 0 0 432.546 2.596 50 0 IFAARN CC[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl ZINC000008725377 569472179 /nfs/dbraw/zinc/47/21/79/569472179.db2.gz HDPJXMZXFVIEAP-MRXNPFEDSA-N 0 0 429.952 2.900 50 0 IFAARN CCOc1ccc(NC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)cc1 ZINC000008726522 569472281 /nfs/dbraw/zinc/47/22/81/569472281.db2.gz XIJHPIROBMDALU-UHFFFAOYSA-N 0 0 428.485 2.974 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccccc1F)Nc1ccccc1C(=O)NC1CCCC1 ZINC000008734868 569472604 /nfs/dbraw/zinc/47/26/04/569472604.db2.gz NVBZBZCHIJHAKU-UHFFFAOYSA-N 0 0 433.505 2.805 50 0 IFAARN CN(CCCC(=O)Nc1ccc(N2CCCC2=O)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000008749124 569473274 /nfs/dbraw/zinc/47/32/74/569473274.db2.gz FLMHMHVKGUUWJM-UHFFFAOYSA-N 0 0 433.505 2.992 50 0 IFAARN O=C(COc1cccc2c1CCC[C@H]2O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008751135 569473392 /nfs/dbraw/zinc/47/33/92/569473392.db2.gz FKGRMUJSBKOSOY-HXUWFJFHSA-N 0 0 430.526 2.858 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1N(C)S(C)(=O)=O ZINC000008754036 569473811 /nfs/dbraw/zinc/47/38/11/569473811.db2.gz ZWMLIUUOCHXAIW-UHFFFAOYSA-N 0 0 449.348 2.654 50 0 IFAARN O=C(c1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000008754549 569473876 /nfs/dbraw/zinc/47/38/76/569473876.db2.gz WPUDZDMTPSTQHN-UHFFFAOYSA-N 0 0 432.889 2.537 50 0 IFAARN Cc1nn(S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000008755011 569473896 /nfs/dbraw/zinc/47/38/96/569473896.db2.gz DHDYIDCBYFPDNA-UHFFFAOYSA-N 0 0 441.575 2.699 50 0 IFAARN Cn1c(=O)c2c(SCc3cc(-c4ccco4)on3)nc(C(C)(C)C)nc2n(C)c1=O ZINC000008757338 569474099 /nfs/dbraw/zinc/47/40/99/569474099.db2.gz KBEUDPJWEDJGFD-UHFFFAOYSA-N 0 0 427.486 2.865 50 0 IFAARN CC(=O)Nc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000008757138 569474117 /nfs/dbraw/zinc/47/41/17/569474117.db2.gz VCEHWCZAVZUHFQ-UHFFFAOYSA-N 0 0 429.542 2.679 50 0 IFAARN CCCCn1c(N)c(N(C)C(=O)Cc2csc(-c3ccc(C)cc3C)n2)c(=O)[nH]c1=O ZINC000008772603 569475278 /nfs/dbraw/zinc/47/52/78/569475278.db2.gz WVIAJJFKWGOTQW-UHFFFAOYSA-N 0 0 441.557 2.865 50 0 IFAARN COc1ccccc1C[C@@]1(C)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3C)n2)C1=O ZINC000008779803 569475623 /nfs/dbraw/zinc/47/56/23/569475623.db2.gz AFJQGIRNUWTZHX-HSZRJFAPSA-N 0 0 447.499 2.568 50 0 IFAARN O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1coc(CN2CCc3ccccc3C2)n1 ZINC000014977931 569477147 /nfs/dbraw/zinc/47/71/47/569477147.db2.gz WOAPHRVLYAHNMY-SFHVURJKSA-N 0 0 432.528 2.669 50 0 IFAARN O=C(CNC(=O)c1ccccc1I)OCC(=O)c1cccs1 ZINC000008825063 569477299 /nfs/dbraw/zinc/47/72/99/569477299.db2.gz FTOPSRCTTJZIMP-UHFFFAOYSA-N 0 0 429.235 2.509 50 0 IFAARN Cc1cc(NC(=O)CSCC(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)no1 ZINC000008825108 569477312 /nfs/dbraw/zinc/47/73/12/569477312.db2.gz UWIDKBFXYOXRDA-JTQLQIEISA-N 0 0 436.515 2.874 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cccc(F)c1 ZINC000008825159 569477331 /nfs/dbraw/zinc/47/73/31/569477331.db2.gz ANCPOHJZDNHXJL-GOSISDBHSA-N 0 0 442.896 2.964 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000008844168 569478551 /nfs/dbraw/zinc/47/85/51/569478551.db2.gz FQFYABWSKVEUKC-LBPRGKRZSA-N 0 0 426.498 2.793 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1cccc(C)c1N(CCOc1ccccc1)C2=O ZINC000008843751 569478558 /nfs/dbraw/zinc/47/85/58/569478558.db2.gz WWLGUTRLXGRADC-JOCHJYFZSA-N 0 0 438.509 2.576 50 0 IFAARN CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@]12c1ccccc1N(C)C2=O ZINC000008845622 569478809 /nfs/dbraw/zinc/47/88/09/569478809.db2.gz RPDPIPLXCLHSSR-DEOSSOPVSA-N 0 0 432.480 2.885 50 0 IFAARN CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2c(C)cc(C)cc2C)c(=O)c3=O)cc1 ZINC000008849394 569479249 /nfs/dbraw/zinc/47/92/49/569479249.db2.gz OLCQSEIWHYIZAR-UHFFFAOYSA-N 0 0 449.511 2.519 50 0 IFAARN CCCCN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)[C@H]1c1ccccc1OC ZINC000008853225 569479583 /nfs/dbraw/zinc/47/95/83/569479583.db2.gz YNIZTRQYJKWCOQ-NZQKXSOJSA-N 0 0 441.572 2.856 50 0 IFAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000008860738 569479922 /nfs/dbraw/zinc/47/99/22/569479922.db2.gz YZKAPQGQJHTUJW-MRXNPFEDSA-N 0 0 425.441 2.672 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000008862077 569480072 /nfs/dbraw/zinc/48/00/72/569480072.db2.gz HYJGCMRGJBSWLQ-NSHDSACASA-N 0 0 448.526 2.552 50 0 IFAARN O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NCCCN1CCCC1=O ZINC000008865162 569480205 /nfs/dbraw/zinc/48/02/05/569480205.db2.gz FIUGCSRTXVYTJB-UHFFFAOYSA-N 0 0 439.537 2.603 50 0 IFAARN CSc1ncc(Cl)c(C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008868129 569480344 /nfs/dbraw/zinc/48/03/44/569480344.db2.gz WOGCLNGOVQLFGQ-CYBMUJFWSA-N 0 0 429.926 2.821 50 0 IFAARN COCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C ZINC000008876196 569481055 /nfs/dbraw/zinc/48/10/55/569481055.db2.gz MEUBKRROHAQNJE-SVMVAKDDSA-N 0 0 447.601 2.719 50 0 IFAARN COC(=O)[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)cc1 ZINC000008878588 569481317 /nfs/dbraw/zinc/48/13/17/569481317.db2.gz CEOORNUSJFXOLH-QKKBWIMNSA-N 0 0 428.485 2.931 50 0 IFAARN COC(=O)[C@H](NC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)C(C)C ZINC000008879304 569481346 /nfs/dbraw/zinc/48/13/46/569481346.db2.gz BHGDYHTZYCEXBL-JOCHJYFZSA-N 0 0 425.437 2.858 50 0 IFAARN COc1ccc([C@H](CNC(=O)CN2C(=O)NC(C)(C)C2=O)c2c[nH]c3ccccc32)cc1 ZINC000008880543 569481406 /nfs/dbraw/zinc/48/14/06/569481406.db2.gz HJNAYZDFUFDJMP-SFHVURJKSA-N 0 0 434.496 2.755 50 0 IFAARN O=C(COc1ccccc1C(=O)NCc1ccccc1)NC[C@@H]1COc2ccccc2O1 ZINC000008880560 569481532 /nfs/dbraw/zinc/48/15/32/569481532.db2.gz ODIQKTFSTXSHGI-LJQANCHMSA-N 0 0 432.476 2.952 50 0 IFAARN COc1cc(CN2CCN(Cc3c(C)nc4sccn34)C[C@H]2CCO)cc(OC)c1 ZINC000039445743 569481550 /nfs/dbraw/zinc/48/15/50/569481550.db2.gz WZUWOICHJOJLMH-GOSISDBHSA-N 0 0 430.574 2.790 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000039476822 569481636 /nfs/dbraw/zinc/48/16/36/569481636.db2.gz PTZGAFGIDGHFJV-CYBMUJFWSA-N 0 0 426.425 2.541 50 0 IFAARN COC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000039588674 569481818 /nfs/dbraw/zinc/48/18/18/569481818.db2.gz WUMQUCVYFDHDPD-BJMVGYQFSA-N 0 0 429.425 2.694 50 0 IFAARN O=C(N=c1[nH]c2ccccc2[nH]1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000039979929 569482225 /nfs/dbraw/zinc/48/22/25/569482225.db2.gz UNZUGDODLGYMBY-UHFFFAOYSA-N 0 0 438.495 2.945 50 0 IFAARN COc1ccc2oc(C(=O)OCC(=O)NCC(=O)Nc3ccc(F)c(F)c3)c(C)c2c1 ZINC000039983381 569482279 /nfs/dbraw/zinc/48/22/79/569482279.db2.gz DCIXAERYAYQEIP-UHFFFAOYSA-N 0 0 432.379 2.940 50 0 IFAARN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000039996266 569482361 /nfs/dbraw/zinc/48/23/61/569482361.db2.gz YZIHPHTVRPWWAP-QWHCGFSZSA-N 0 0 444.431 2.943 50 0 IFAARN C[C@@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1(Cl)Cl ZINC000068901619 569482534 /nfs/dbraw/zinc/48/25/34/569482534.db2.gz PHAQBVMJMPYUGK-AWEZNQCLSA-N 0 0 427.737 2.883 50 0 IFAARN CC(C)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1 ZINC000040020167 569482684 /nfs/dbraw/zinc/48/26/84/569482684.db2.gz KJFIZEVTONFNPT-FQEVSTJZSA-N 0 0 439.578 2.707 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C(C)C)cc1 ZINC000040024144 569482778 /nfs/dbraw/zinc/48/27/78/569482778.db2.gz NLWCPMMUPHADMW-JOCHJYFZSA-N 0 0 437.540 2.871 50 0 IFAARN Cc1cc(NC(=O)CNc2ccc(Cl)cc2C(=O)OCC(=O)Nc2cc(C)on2)no1 ZINC000008882037 569482956 /nfs/dbraw/zinc/48/29/56/569482956.db2.gz VZPJUUSTCSBJRW-UHFFFAOYSA-N 0 0 447.835 2.779 50 0 IFAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCCc4ccccc43)C2=O)cc1OC ZINC000008883468 569483024 /nfs/dbraw/zinc/48/30/24/569483024.db2.gz WGFFWNRRQUHOEU-HOYKHHGWSA-N 0 0 437.496 2.665 50 0 IFAARN COc1cc(CCC2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc(OC)c1 ZINC000040039964 569483425 /nfs/dbraw/zinc/48/34/25/569483425.db2.gz UCIKUWQTZDZGMB-IAGOWNOFSA-N 0 0 426.579 2.702 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)n1 ZINC000040042817 569483486 /nfs/dbraw/zinc/48/34/86/569483486.db2.gz KSGQPDBPVHNBTJ-OAHLLOKOSA-N 0 0 436.472 2.694 50 0 IFAARN COc1ccc(C2=NN(C(=O)Cn3nnc4ccccc4c3=O)[C@@H](c3ccco3)C2)cc1 ZINC000008896041 569483871 /nfs/dbraw/zinc/48/38/71/569483871.db2.gz YOTZLZUXJVRKOM-HXUWFJFHSA-N 0 0 429.436 2.771 50 0 IFAARN C[C@H](Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)N1CCCC1 ZINC000008900587 569484098 /nfs/dbraw/zinc/48/40/98/569484098.db2.gz RPVJIYNMACKPHM-HNNXBMFYSA-N 0 0 431.514 2.681 50 0 IFAARN O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000040052209 569484561 /nfs/dbraw/zinc/48/45/61/569484561.db2.gz FOIMAVGVVQREIB-OALUTQOASA-N 0 0 427.501 2.734 50 0 IFAARN COC(=O)c1cc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc(C(=O)OC)c1 ZINC000008912521 569485006 /nfs/dbraw/zinc/48/50/06/569485006.db2.gz VDXKFZKZRRVZFU-UHFFFAOYSA-N 0 0 449.463 2.948 50 0 IFAARN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000040069467 569485385 /nfs/dbraw/zinc/48/53/85/569485385.db2.gz VFBDIRKKCWYUQU-QHCPKHFHSA-N 0 0 436.556 2.949 50 0 IFAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(OC)c(OC)c3)cc(C(C)C)nc21 ZINC000040069541 569485389 /nfs/dbraw/zinc/48/53/89/569485389.db2.gz NUZPJOGRJPAXOJ-UHFFFAOYSA-N 0 0 440.500 2.565 50 0 IFAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC000040071956 569485847 /nfs/dbraw/zinc/48/58/47/569485847.db2.gz NBHFAMUGCIIAKD-VWLOTQADSA-N 0 0 449.507 2.805 50 0 IFAARN COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000008917058 569485922 /nfs/dbraw/zinc/48/59/22/569485922.db2.gz WXKXXMIFOMGKMB-KUHUBIRLSA-N 0 0 425.462 2.534 50 0 IFAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008917276 569485972 /nfs/dbraw/zinc/48/59/72/569485972.db2.gz PQIFEDJTIOHOTE-MGPUTAFESA-N 0 0 439.489 2.924 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H]2CS[C@H]3c4ccc(OC)c(OC)c4C(=O)N23)cc1 ZINC000008918511 569486296 /nfs/dbraw/zinc/48/62/96/569486296.db2.gz GSOGRAPQJPLAMV-AOMKIAJQSA-N 0 0 428.510 2.641 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2Cl)c2c(O)n(-c3ccccc3OC)c(O)c12 ZINC000008921263 569486793 /nfs/dbraw/zinc/48/67/93/569486793.db2.gz AUGSMCADSQQDSH-FUHWJXTLSA-N 0 0 427.844 2.646 50 0 IFAARN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000040087760 569486809 /nfs/dbraw/zinc/48/68/09/569486809.db2.gz OTMKCTMQIBBWTQ-CYBMUJFWSA-N 0 0 425.507 2.669 50 0 IFAARN CCOc1ccc(NC(=O)NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1OCC ZINC000008922694 569486920 /nfs/dbraw/zinc/48/69/20/569486920.db2.gz HSECTKDJWSLADD-UHFFFAOYSA-N 0 0 446.504 2.777 50 0 IFAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)NCCS(=O)(=O)N1CCc2ccccc21 ZINC000040089566 569487101 /nfs/dbraw/zinc/48/71/01/569487101.db2.gz OALKLTQEYXZDHS-UHFFFAOYSA-N 0 0 426.538 2.647 50 0 IFAARN Cn1c2nc(NCc3ccccn3)n(Cc3cccc(C(F)(F)F)c3)c2c(=O)n(C)c1=O ZINC000008926183 569487214 /nfs/dbraw/zinc/48/72/14/569487214.db2.gz WDILDFHQGHNUKZ-UHFFFAOYSA-N 0 0 444.417 2.508 50 0 IFAARN COc1ccc(OC)c2c1CN(CN1C(=O)[C@@H](C)N(c3ccc(C)cc3)C1=O)C[C@H]2O ZINC000040091160 569487426 /nfs/dbraw/zinc/48/74/26/569487426.db2.gz ZZOBLQWYPSUENP-CRAIPNDOSA-N 0 0 425.485 2.676 50 0 IFAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3nn4c(nc(C)cc4=O)s3)C2)cc1 ZINC000008933806 569487872 /nfs/dbraw/zinc/48/78/72/569487872.db2.gz NFUFOAWIZMYYAW-KRWDZBQOSA-N 0 0 441.557 2.781 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC(C(=O)NCc4ccc(OC(C)C)cc4)CC3)sc2n1 ZINC000008933772 569487876 /nfs/dbraw/zinc/48/78/76/569487876.db2.gz MNYGIASTERDSML-UHFFFAOYSA-N 0 0 441.557 2.779 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)NCc3ccc(OC(C)C)cc3)sc2n1 ZINC000008933835 569487885 /nfs/dbraw/zinc/48/78/85/569487885.db2.gz SVKYFIWRIIYIHC-QGZVFWFLSA-N 0 0 427.530 2.532 50 0 IFAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000040104235 569488173 /nfs/dbraw/zinc/48/81/73/569488173.db2.gz HHIPITUAMHKIEQ-KRWDZBQOSA-N 0 0 437.422 2.746 50 0 IFAARN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000040104500 569488180 /nfs/dbraw/zinc/48/81/80/569488180.db2.gz RYTGADQRTKMXAL-QFBILLFUSA-N 0 0 444.557 2.859 50 0 IFAARN Cc1ccc(C2=NN(C(=O)COC(=O)CN3CCSC3=O)[C@H](c3ccco3)C2)cc1 ZINC000008937983 569488221 /nfs/dbraw/zinc/48/82/21/569488221.db2.gz DFIYHBSYVKNAFR-KRWDZBQOSA-N 0 0 427.482 2.978 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cncc(Br)c1 ZINC000008938347 569488235 /nfs/dbraw/zinc/48/82/35/569488235.db2.gz HEYSITKSUKHMHO-UHFFFAOYSA-N 0 0 438.347 2.949 50 0 IFAARN Cc1ccc(CN(C)C(=O)COC(=O)CNC(=O)c2ccc(Br)o2)c(C)c1 ZINC000008938194 569488237 /nfs/dbraw/zinc/48/82/37/569488237.db2.gz UHBJMNAVTBRYAR-UHFFFAOYSA-N 0 0 437.290 2.591 50 0 IFAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1cc(OC)cc(OC)c1 ZINC000008940407 569488354 /nfs/dbraw/zinc/48/83/54/569488354.db2.gz HMOJGNITGGXNTQ-UHFFFAOYSA-N 0 0 430.534 2.817 50 0 IFAARN Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)cc2)n1 ZINC000040106798 569488409 /nfs/dbraw/zinc/48/84/09/569488409.db2.gz ZJOWKJLBEYVQJC-UHFFFAOYSA-N 0 0 442.541 2.839 50 0 IFAARN CCN1C(=O)C2(Cc3c(C)nn(-c4ccccc4)c3N3CCC[C@H]32)C(=O)N(CC)C1=S ZINC000008941533 569488642 /nfs/dbraw/zinc/48/86/42/569488642.db2.gz BOYLAFXAPAQVRU-SFHVURJKSA-N 0 0 437.569 2.688 50 0 IFAARN Cc1cc(C)n2c(nnc2S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n1 ZINC000008942944 569488746 /nfs/dbraw/zinc/48/87/46/569488746.db2.gz ZJXCNAJRXIKJTF-CQSZACIVSA-N 0 0 448.574 2.547 50 0 IFAARN COCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(OC(C)C)cc1 ZINC000008943407 569488778 /nfs/dbraw/zinc/48/87/78/569488778.db2.gz BRWRSHOCCCQXNE-UHFFFAOYSA-N 0 0 444.561 2.824 50 0 IFAARN COCCNc1nc(SC)nc2c1cnn2CCNC(=O)Cc1ccc(Cl)cc1 ZINC000008943908 569488858 /nfs/dbraw/zinc/48/88/58/569488858.db2.gz YZOZWGODAMSWCQ-UHFFFAOYSA-N 0 0 434.953 2.619 50 0 IFAARN CSc1nc2c(cnn2CCNC(=O)COc2ccccc2F)c(N2CCCCC2)n1 ZINC000008946064 569489039 /nfs/dbraw/zinc/48/90/39/569489039.db2.gz XIHGOUCYWFKMPF-UHFFFAOYSA-N 0 0 444.536 2.873 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000040120049 569489419 /nfs/dbraw/zinc/48/94/19/569489419.db2.gz YRQOHYOZADKXLU-JKSUJKDBSA-N 0 0 426.435 2.856 50 0 IFAARN Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)ccc1F ZINC000040120436 569489429 /nfs/dbraw/zinc/48/94/29/569489429.db2.gz IWTYNZMUGUMOGN-AWEZNQCLSA-N 0 0 438.481 2.525 50 0 IFAARN O=C(NCc1ccnc(-n2cccn2)c1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040120948 569489499 /nfs/dbraw/zinc/48/94/99/569489499.db2.gz RNGXSEYNFNSCDE-QGZVFWFLSA-N 0 0 443.429 2.951 50 0 IFAARN CN(C)C(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 ZINC000040128716 569489757 /nfs/dbraw/zinc/48/97/57/569489757.db2.gz AERMKNUDAOBFBI-AWEZNQCLSA-N 0 0 428.455 2.874 50 0 IFAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1 ZINC000040129257 569489803 /nfs/dbraw/zinc/48/98/03/569489803.db2.gz QCCXIJGUEKHJPX-OAHLLOKOSA-N 0 0 429.970 2.567 50 0 IFAARN O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000008954703 569490053 /nfs/dbraw/zinc/49/00/53/569490053.db2.gz CQBNLWODOZJFLR-UHFFFAOYSA-N 0 0 431.367 2.640 50 0 IFAARN Cc1nc2c(s1)c(-c1cccs1)nn(CC(=O)NCc1ccc3c(c1)OCO3)c2=O ZINC000008956016 569490188 /nfs/dbraw/zinc/49/01/88/569490188.db2.gz SDPWQMFLZWETER-UHFFFAOYSA-N 0 0 440.506 2.935 50 0 IFAARN C[C@]12CCC(=O)N1[C@H](C(=O)NC1CCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 ZINC000040134440 569490545 /nfs/dbraw/zinc/49/05/45/569490545.db2.gz UPCCZQSAXWKURL-KSSFIOAISA-N 0 0 428.480 2.639 50 0 IFAARN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N1CCN(c2ncccn2)CC1 ZINC000040134529 569490580 /nfs/dbraw/zinc/49/05/80/569490580.db2.gz FRXXKHFZVDUBOW-UHFFFAOYSA-N 0 0 445.449 2.584 50 0 IFAARN CC(=O)N[C@@H](CC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1 ZINC000008965979 569491655 /nfs/dbraw/zinc/49/16/55/569491655.db2.gz PGFIWBJYRQGZIH-NRFANRHFSA-N 0 0 441.509 2.964 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(CN2CCCC2=O)c1 ZINC000008966382 569491777 /nfs/dbraw/zinc/49/17/77/569491777.db2.gz FHEWMFPAXZUWAI-UHFFFAOYSA-N 0 0 427.526 2.846 50 0 IFAARN C[C@H](SCc1ccccc1)C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000040143388 569491978 /nfs/dbraw/zinc/49/19/78/569491978.db2.gz PAPMAKVSWXHULF-LAUBAEHRSA-N 0 0 426.538 2.819 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)o1 ZINC000040145603 569492188 /nfs/dbraw/zinc/49/21/88/569492188.db2.gz PGPRKOLUCMOJAQ-UHFFFAOYSA-N 0 0 445.472 2.851 50 0 IFAARN C[C@H](C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000040150397 569493182 /nfs/dbraw/zinc/49/31/82/569493182.db2.gz GFAXKPUUWYFLJE-QGZVFWFLSA-N 0 0 446.544 2.728 50 0 IFAARN CCCCN(C(=O)CN(Cc1ccc(C)o1)C(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000040151460 569493288 /nfs/dbraw/zinc/49/32/88/569493288.db2.gz ODVUNLPHVKAKSQ-UHFFFAOYSA-N 0 0 447.580 2.720 50 0 IFAARN COC(=O)c1cnc(N[C@@H](C)c2cc(C)sc2C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000040153586 569493640 /nfs/dbraw/zinc/49/36/40/569493640.db2.gz PYLKYBGFVCAXNA-ZDUSSCGKSA-N 0 0 439.559 2.741 50 0 IFAARN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000040154003 569493683 /nfs/dbraw/zinc/49/36/83/569493683.db2.gz JFFDXIHCTSRAIW-UHFFFAOYSA-N 0 0 445.976 2.795 50 0 IFAARN O=S(=O)(NC1CCN(Cc2nc(Cc3ccccc3)no2)CC1)c1ccc(F)cc1 ZINC000040154058 569493686 /nfs/dbraw/zinc/49/36/86/569493686.db2.gz LHKHPUWLLCKYRI-UHFFFAOYSA-N 0 0 430.505 2.742 50 0 IFAARN Cn1c(SCc2cc3c(c(Br)c2)OCO3)nnc1[C@@H]1CCS(=O)(=O)C1 ZINC000040154973 569493795 /nfs/dbraw/zinc/49/37/95/569493795.db2.gz WLANPVXLUQVHEH-SNVBAGLBSA-N 0 0 446.348 2.501 50 0 IFAARN CCN(CC)c1nc2sc(C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)cc2s1 ZINC000040155396 569493862 /nfs/dbraw/zinc/49/38/62/569493862.db2.gz CUROPSJRONQXPO-UHFFFAOYSA-N 0 0 449.646 2.974 50 0 IFAARN COc1cc(Cl)c(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)cc1OC ZINC000040155165 569493893 /nfs/dbraw/zinc/49/38/93/569493893.db2.gz IJUFZAZFCWJOCX-UHFFFAOYSA-N 0 0 436.873 2.916 50 0 IFAARN CN1C(=O)N(CC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)C(=O)C12CCCCC2 ZINC000040155980 569494060 /nfs/dbraw/zinc/49/40/60/569494060.db2.gz SPPGGAOMSZYKEO-UHFFFAOYSA-N 0 0 426.517 2.848 50 0 IFAARN CSCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000040156180 569494107 /nfs/dbraw/zinc/49/41/07/569494107.db2.gz GJQRZPAHKGJJOY-BEFAXECRSA-N 0 0 446.598 2.981 50 0 IFAARN CC[C@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccc2c(c1)OCCO2 ZINC000040156970 569494269 /nfs/dbraw/zinc/49/42/69/569494269.db2.gz FYCNXFNRLNBTLI-IBGZPJMESA-N 0 0 435.480 2.975 50 0 IFAARN COc1ccc2cc([C@H](C)C(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)ccc2c1 ZINC000040157460 569494317 /nfs/dbraw/zinc/49/43/17/569494317.db2.gz MPVDRXOPKIWHIS-ULQDDVLXSA-N 0 0 434.558 2.507 50 0 IFAARN COc1ccc(C(=O)NCc2ccccc2N2CCCC2)cc1S(=O)(=O)NC1CC1 ZINC000040157783 569494356 /nfs/dbraw/zinc/49/43/56/569494356.db2.gz USWHCCHWMJYFLJ-UHFFFAOYSA-N 0 0 429.542 2.666 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)N3CCCCCC3)CC2)cc1 ZINC000008981321 569494486 /nfs/dbraw/zinc/49/44/86/569494486.db2.gz KDZWMXNGDCRKHQ-SFHVURJKSA-N 0 0 436.574 2.730 50 0 IFAARN Cc1cc(=O)n2nc(C(F)(F)F)nc2n1CC(=O)Nc1cccc(Br)c1 ZINC000040159349 569494694 /nfs/dbraw/zinc/49/46/94/569494694.db2.gz GBPCXJHBWYTTFU-UHFFFAOYSA-N 0 0 430.184 2.619 50 0 IFAARN CCCNC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000040161274 569495213 /nfs/dbraw/zinc/49/52/13/569495213.db2.gz HUZLRGKDFFWQNA-UHFFFAOYSA-N 0 0 448.545 2.864 50 0 IFAARN CC(C)c1ccc(NC(=O)CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000008991384 569495274 /nfs/dbraw/zinc/49/52/74/569495274.db2.gz KAUNYUBSXBAJDQ-IBGZPJMESA-N 0 0 443.569 2.966 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)c(C)c1 ZINC000009001031 569495930 /nfs/dbraw/zinc/49/59/30/569495930.db2.gz QEUSQHOSMXNVGI-UHFFFAOYSA-N 0 0 429.480 2.565 50 0 IFAARN O=S(=O)(Cc1ccc(F)cc1)NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1 ZINC000009005326 569496116 /nfs/dbraw/zinc/49/61/16/569496116.db2.gz IDMWGOQJSGXIJY-HXUWFJFHSA-N 0 0 434.514 2.855 50 0 IFAARN CNS(=O)(=O)c1ccc2nc(NC(=O)c3cncc(Br)c3)sc2c1 ZINC000009010017 569496455 /nfs/dbraw/zinc/49/64/55/569496455.db2.gz HZIFHZUBUZHVOU-UHFFFAOYSA-N 0 0 427.305 2.614 50 0 IFAARN O=C(NCCn1ncc2c1ncn(Cc1cccc(C(F)(F)F)c1)c2=O)C1CCCC1 ZINC000009016384 569496829 /nfs/dbraw/zinc/49/68/29/569496829.db2.gz VDXHGRREPAYKGM-UHFFFAOYSA-N 0 0 433.434 2.967 50 0 IFAARN COc1ccc(F)cc1S(=O)(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000245053553 569497067 /nfs/dbraw/zinc/49/70/67/569497067.db2.gz OZUFSSKGATYEOV-UHFFFAOYSA-N 0 0 434.415 2.590 50 0 IFAARN Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 ZINC000040266493 569497193 /nfs/dbraw/zinc/49/71/93/569497193.db2.gz PFJJCWLZWJTFFJ-UHFFFAOYSA-N 0 0 433.443 2.569 50 0 IFAARN Cc1cc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)n(-c2nc(C(C)C)cc(=O)[nH]2)n1 ZINC000009038575 569497372 /nfs/dbraw/zinc/49/73/72/569497372.db2.gz CWNNFTIHMLHYLU-UHFFFAOYSA-N 0 0 447.499 2.578 50 0 IFAARN NS(=O)(=O)c1ccc(CCNc2ncncc2-c2nc(-c3cccs3)no2)cc1 ZINC000245108395 569497427 /nfs/dbraw/zinc/49/74/27/569497427.db2.gz SVDWBMGLWCYEGE-UHFFFAOYSA-N 0 0 428.499 2.557 50 0 IFAARN Cc1cc(N2C[C@H](C(=O)N3CCC[C@H](C4OCCO4)C3)CC2=O)ccc1Br ZINC000069232383 569497738 /nfs/dbraw/zinc/49/77/38/569497738.db2.gz LYXIZWWAUXWTRB-LSDHHAIUSA-N 0 0 437.334 2.722 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3nc(-n4cccc4)sc3c2)cc1 ZINC000009049521 569498571 /nfs/dbraw/zinc/49/85/71/569498571.db2.gz YRHKLKMWSSOPLF-UHFFFAOYSA-N 0 0 426.523 2.707 50 0 IFAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)cc(OC)c1 ZINC000040309854 569498697 /nfs/dbraw/zinc/49/86/97/569498697.db2.gz XVKLSEKTYYXKGR-ICSRJNTNSA-N 0 0 430.505 2.672 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C ZINC000009053455 569498829 /nfs/dbraw/zinc/49/88/29/569498829.db2.gz OCKGFROUCKXKDD-IBGZPJMESA-N 0 0 448.545 2.730 50 0 IFAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009056598 569499069 /nfs/dbraw/zinc/49/90/69/569499069.db2.gz ORMCEUQZDIQIJP-IFMALSPDSA-N 0 0 434.500 2.999 50 0 IFAARN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(-n3cnnn3)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009056600 569499110 /nfs/dbraw/zinc/49/91/10/569499110.db2.gz ORMCEUQZDIQIJP-RBBKRZOGSA-N 0 0 434.500 2.999 50 0 IFAARN COc1ccc(OC)c([C@@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000009058931 569499249 /nfs/dbraw/zinc/49/92/49/569499249.db2.gz FDFIXIFCBHPQCA-QHCPKHFHSA-N 0 0 447.491 2.843 50 0 IFAARN COCCN1C(=S)N(c2cc(C(F)(F)F)ccc2Cl)[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000009061179 569499612 /nfs/dbraw/zinc/49/96/12/569499612.db2.gz HQBOKXDQAJGRPX-CHWSQXEVSA-N 0 0 428.885 2.578 50 0 IFAARN O=C(NCc1ccccn1)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 ZINC000009061283 569499637 /nfs/dbraw/zinc/49/96/37/569499637.db2.gz PZFATHDPBKJXOJ-DCXXXQMHSA-N 0 0 429.398 2.703 50 0 IFAARN C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O ZINC000009065129 569499713 /nfs/dbraw/zinc/49/97/13/569499713.db2.gz XSNLHIWRTQZZSU-LYLMJZQMSA-N 0 0 434.286 2.595 50 0 IFAARN COc1cccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000245228685 569499964 /nfs/dbraw/zinc/49/99/64/569499964.db2.gz CHLXXYQDTALRRI-RBUKOAKNSA-N 0 0 439.961 2.778 50 0 IFAARN CCNS(=O)(=O)c1cc(-c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)[nH]n2)ccc1OC ZINC000245239529 569500517 /nfs/dbraw/zinc/50/05/17/569500517.db2.gz KAWVJZZEIWOZJJ-SQWLQELKSA-N 0 0 434.562 2.938 50 0 IFAARN C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)N1CCCC1 ZINC000009083337 569500521 /nfs/dbraw/zinc/50/05/21/569500521.db2.gz RPVJIYNMACKPHM-OAHLLOKOSA-N 0 0 431.514 2.681 50 0 IFAARN COc1cc(C)ccc1-n1c(-c2ccc(F)cc2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000009090146 569500970 /nfs/dbraw/zinc/50/09/70/569500970.db2.gz ZTGDNEANLRAPDL-UHFFFAOYSA-N 0 0 433.443 2.799 50 0 IFAARN O=C(NCc1ccncc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000009094877 569501278 /nfs/dbraw/zinc/50/12/78/569501278.db2.gz GTOFHTZXMIMMLG-HXUWFJFHSA-N 0 0 429.929 2.941 50 0 IFAARN Cc1ccc(C)c(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)c1 ZINC000009094910 569501298 /nfs/dbraw/zinc/50/12/98/569501298.db2.gz WZSDBRVDUFODCZ-UHFFFAOYSA-N 0 0 426.542 2.902 50 0 IFAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000009103888 569501761 /nfs/dbraw/zinc/50/17/61/569501761.db2.gz CJQLINDQZHBEMD-UONOGXRCSA-N 0 0 429.498 2.839 50 0 IFAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000009101777 569501802 /nfs/dbraw/zinc/50/18/02/569501802.db2.gz JSCMMIANUSTQDU-MRXNPFEDSA-N 0 0 442.541 2.548 50 0 IFAARN Cn1c2nc3n(cc(-c4ccc(Cl)cc4Cl)n3C[C@@H]3CCCO3)c2c(=O)n(C)c1=O ZINC000009110409 569502135 /nfs/dbraw/zinc/50/21/35/569502135.db2.gz PGIGAYUUJPVGSJ-LBPRGKRZSA-N 0 0 448.310 2.839 50 0 IFAARN O=C(COc1ccc(-c2ccccc2)cc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000009112888 569502432 /nfs/dbraw/zinc/50/24/32/569502432.db2.gz YEEGLBSJSOXUPW-IRLDBZIGSA-N 0 0 429.538 2.927 50 0 IFAARN O=C(COc1ccc(-c2ccccc2)cc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000009112889 569502452 /nfs/dbraw/zinc/50/24/52/569502452.db2.gz YEEGLBSJSOXUPW-IFMALSPDSA-N 0 0 429.538 2.927 50 0 IFAARN O=S(=O)(NCCc1nnc2ccc(SCc3ccccc3)nn21)c1ccccc1 ZINC000009116678 569502994 /nfs/dbraw/zinc/50/29/94/569502994.db2.gz MTKZSQGAWXAIAH-UHFFFAOYSA-N 0 0 425.539 2.938 50 0 IFAARN CCn1c(SCC(=O)OCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1ccco1 ZINC000009119744 569503654 /nfs/dbraw/zinc/50/36/54/569503654.db2.gz IPAPLNRAHMWBET-UHFFFAOYSA-N 0 0 444.469 2.619 50 0 IFAARN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)NC(=O)NC1CCCCC1 ZINC000009120123 569503760 /nfs/dbraw/zinc/50/37/60/569503760.db2.gz XZPDLWBZASKJQB-UHFFFAOYSA-N 0 0 449.463 2.803 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2ccccc2F)c1=O)CCN3c1cccc(Cl)c1 ZINC000009124447 569504341 /nfs/dbraw/zinc/50/43/41/569504341.db2.gz UCUPJJRJHRYAOW-UHFFFAOYSA-N 0 0 425.851 2.889 50 0 IFAARN COc1ccc(-n2c(C)cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)cc1 ZINC000009124580 569504349 /nfs/dbraw/zinc/50/43/49/569504349.db2.gz QOWCTUCISWDMNN-UHFFFAOYSA-N 0 0 433.443 2.643 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)ccc1Cl ZINC000009127887 569505265 /nfs/dbraw/zinc/50/52/65/569505265.db2.gz NHPJJDZBDHAEPV-UHFFFAOYSA-N 0 0 437.857 2.720 50 0 IFAARN Cc1c(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)c(=O)n(-c2ccccc2)n1C ZINC000009130263 569505975 /nfs/dbraw/zinc/50/59/75/569505975.db2.gz GITOKZAIXDSFHQ-UHFFFAOYSA-N 0 0 435.871 2.936 50 0 IFAARN Cc1c(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)c(=O)n(-c2ccccc2)n1C ZINC000009130448 569506041 /nfs/dbraw/zinc/50/60/41/569506041.db2.gz VNPUWXFWTWHSHP-UHFFFAOYSA-N 0 0 435.871 2.936 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cccc(C(F)(F)F)c2)c1=O)Nc1cccc(F)c1 ZINC000040477166 569506615 /nfs/dbraw/zinc/50/66/15/569506615.db2.gz FQHNYWYTHKUWFJ-UHFFFAOYSA-N 0 0 446.364 2.833 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O)Nc1ccc(F)cc1Cl ZINC000040478233 569506712 /nfs/dbraw/zinc/50/67/12/569506712.db2.gz YENDWEWMSGFZSM-UHFFFAOYSA-N 0 0 430.802 2.607 50 0 IFAARN Cc1cnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)s1 ZINC000009134352 569507046 /nfs/dbraw/zinc/50/70/46/569507046.db2.gz XZOAHGBDFWTBHN-OAHLLOKOSA-N 0 0 448.570 2.618 50 0 IFAARN CCN(C(=O)COC(=O)CCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1 ZINC000009144748 569507373 /nfs/dbraw/zinc/50/73/73/569507373.db2.gz BALOLSGEJIWDGB-UHFFFAOYSA-N 0 0 443.525 2.651 50 0 IFAARN COc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(OC)c1 ZINC000009151694 569507566 /nfs/dbraw/zinc/50/75/66/569507566.db2.gz FVWPAYRHFJLLEQ-ZDUSSCGKSA-N 0 0 448.497 2.534 50 0 IFAARN C[C@@H](CC(=O)Nc1ccc(-c2ccno2)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000009151686 569507568 /nfs/dbraw/zinc/50/75/68/569507568.db2.gz UULYBVFIOFZETJ-ZDUSSCGKSA-N 0 0 441.465 2.864 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)c2ccnc(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000009152046 569507686 /nfs/dbraw/zinc/50/76/86/569507686.db2.gz CXNVSTHKFOOOMZ-UHFFFAOYSA-N 0 0 429.473 2.984 50 0 IFAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccccc3)nc2N)cc1 ZINC000009152155 569507770 /nfs/dbraw/zinc/50/77/70/569507770.db2.gz DEEPAERECWVYGL-UHFFFAOYSA-N 0 0 428.539 2.609 50 0 IFAARN COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000009156092 569508345 /nfs/dbraw/zinc/50/83/45/569508345.db2.gz OGIXDTZGXDHMDV-UHFFFAOYSA-N 0 0 444.435 2.647 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)NC(=O)NCc1ccccc1 ZINC000009157438 569508408 /nfs/dbraw/zinc/50/84/08/569508408.db2.gz ZPYZYNJFSGGJRP-UHFFFAOYSA-N 0 0 444.557 2.608 50 0 IFAARN CCOCCCn1c(-c2ccc3ccccc3c2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000009160437 569508623 /nfs/dbraw/zinc/50/86/23/569508623.db2.gz WZJZUWLLUSJTCY-UHFFFAOYSA-N 0 0 431.496 2.933 50 0 IFAARN Cn1c2nc3n(cc(-c4ccc5ccccc5c4)n3Cc3cccnc3)c2c(=O)n(C)c1=O ZINC000009160746 569508650 /nfs/dbraw/zinc/50/86/50/569508650.db2.gz QTICUHAAIUGIOY-UHFFFAOYSA-N 0 0 436.475 2.950 50 0 IFAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NC(=O)Nc2ccc(C)cc2C)C1=O ZINC000009170058 569509256 /nfs/dbraw/zinc/50/92/56/569509256.db2.gz RYOIJGAARHNELB-HSZRJFAPSA-N 0 0 438.484 2.817 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000009184479 569509946 /nfs/dbraw/zinc/50/99/46/569509946.db2.gz DXFNPKMJZXKAQB-IBGZPJMESA-N 0 0 432.498 2.664 50 0 IFAARN CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@]12c1cc(OC)ccc1NC2=O ZINC000009186984 569510233 /nfs/dbraw/zinc/51/02/33/569510233.db2.gz BTVXWSHGFNTNSU-XMMPIXPASA-N 0 0 446.463 2.553 50 0 IFAARN Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)oc2c1 ZINC000009194596 569510930 /nfs/dbraw/zinc/51/09/30/569510930.db2.gz HIJXWGJGXNWYQG-UHFFFAOYSA-N 0 0 442.493 2.683 50 0 IFAARN Cn1c(CCC(=O)Nc2nccs2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009198689 569511091 /nfs/dbraw/zinc/51/10/91/569511091.db2.gz IJJUIPNYEAWTBU-UHFFFAOYSA-N 0 0 433.559 2.776 50 0 IFAARN Cc1ccc(-n2cnnc2SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000009206206 569511322 /nfs/dbraw/zinc/51/13/22/569511322.db2.gz DRJLISHEXGZHKB-GOSISDBHSA-N 0 0 448.614 2.935 50 0 IFAARN O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 ZINC000009211487 569511733 /nfs/dbraw/zinc/51/17/33/569511733.db2.gz GHKBTQYGNWUGOD-UHFFFAOYSA-N 0 0 425.441 2.860 50 0 IFAARN O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000009211486 569511765 /nfs/dbraw/zinc/51/17/65/569511765.db2.gz NXWUIDFVQGDFGY-UHFFFAOYSA-N 0 0 425.441 2.860 50 0 IFAARN Cc1ccc(CNS(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)cc1 ZINC000009211489 569511789 /nfs/dbraw/zinc/51/17/89/569511789.db2.gz HNOKIBINVIZTNZ-UHFFFAOYSA-N 0 0 435.505 2.707 50 0 IFAARN Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1CC(=O)Nc1ccc(Cl)cc1 ZINC000009211585 569511810 /nfs/dbraw/zinc/51/18/10/569511810.db2.gz ZBWQUGIGGWPLRM-UHFFFAOYSA-N 0 0 439.819 2.598 50 0 IFAARN Cc1ccc(NC(=O)Cn2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2N)c(C)c1 ZINC000009211587 569511834 /nfs/dbraw/zinc/51/18/34/569511834.db2.gz HSMVUHUFVTWXMU-UHFFFAOYSA-N 0 0 433.428 2.562 50 0 IFAARN Cc1ccc(NC(=O)CS(=O)(=O)c2nnc([C@H](C)NC(=O)OC(C)(C)C)o2)c(C)c1 ZINC000009216009 569512101 /nfs/dbraw/zinc/51/21/01/569512101.db2.gz WCPUUUOIHDTVFW-ZDUSSCGKSA-N 0 0 438.506 2.685 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000009217407 569512270 /nfs/dbraw/zinc/51/22/70/569512270.db2.gz TYGILELMNHSSIW-UHFFFAOYSA-N 0 0 447.582 2.996 50 0 IFAARN CCOc1ccc2[nH]c(SCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)nc2c1 ZINC000009219645 569512481 /nfs/dbraw/zinc/51/24/81/569512481.db2.gz XNEHMXAPXVXUNY-UHFFFAOYSA-N 0 0 431.518 2.586 50 0 IFAARN CCOc1cc(N[C@H](C)C(=O)NC(=O)NC)c(OCC)cc1NC(=O)c1ccccc1 ZINC000009220413 569512581 /nfs/dbraw/zinc/51/25/81/569512581.db2.gz WTRDIBWIILOISE-CQSZACIVSA-N 0 0 428.489 2.992 50 0 IFAARN Cc1ccc(NC(=O)CNc2cccc3c2CCCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000009220855 569512619 /nfs/dbraw/zinc/51/26/19/569512619.db2.gz TXSAHIIGNZLLLX-UHFFFAOYSA-N 0 0 443.569 2.945 50 0 IFAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)NC[C@@H]1COc2ccccc2O1 ZINC000009222143 569512698 /nfs/dbraw/zinc/51/26/98/569512698.db2.gz XDQAQGLYVNJOEZ-MRXNPFEDSA-N 0 0 433.493 2.864 50 0 IFAARN O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc2c(cc1Br)OCO2 ZINC000009222488 569512754 /nfs/dbraw/zinc/51/27/54/569512754.db2.gz AIMHZXSJIAPLAA-IBGZPJMESA-N 0 0 431.242 2.908 50 0 IFAARN Cc1cc(C)n2nc(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@@H]3CCCO3)nc2n1 ZINC000009223520 569512979 /nfs/dbraw/zinc/51/29/79/569512979.db2.gz UGGIFPOVQRTNGZ-SFHVURJKSA-N 0 0 436.516 2.618 50 0 IFAARN CCn1nc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c2ccccc2c1=O ZINC000009223850 569513038 /nfs/dbraw/zinc/51/30/38/569513038.db2.gz NLAXIFNUYBXMHK-UHFFFAOYSA-N 0 0 428.495 2.682 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCSc3ccccc32)cc1 ZINC000009223845 569513078 /nfs/dbraw/zinc/51/30/78/569513078.db2.gz YLRXHPNXXPMZDV-UHFFFAOYSA-N 0 0 433.555 2.795 50 0 IFAARN CCn1c(COC(=O)Cc2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009224118 569513135 /nfs/dbraw/zinc/51/31/35/569513135.db2.gz SRCZDGWPVRESDB-UHFFFAOYSA-N 0 0 431.514 2.601 50 0 IFAARN COc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(F)cc2)s1 ZINC000009224660 569513201 /nfs/dbraw/zinc/51/32/01/569513201.db2.gz VRGGITDGIHIKJC-UHFFFAOYSA-N 0 0 436.490 2.759 50 0 IFAARN CCN(CC)C(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)c(Br)c1 ZINC000009238839 569514393 /nfs/dbraw/zinc/51/43/93/569514393.db2.gz YZFNBONPRWVJSB-CABCVRRESA-N 0 0 440.367 2.985 50 0 IFAARN CC(C)CCn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000009242791 569514670 /nfs/dbraw/zinc/51/46/70/569514670.db2.gz JIHXRNZDTULCJM-UHFFFAOYSA-N 0 0 437.588 2.935 50 0 IFAARN C[C@H]1Cn2c3c(nc2N(CCc2ccccc2)C1)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000009243218 569514815 /nfs/dbraw/zinc/51/48/15/569514815.db2.gz ZVVFSAHWGGKREE-QGZVFWFLSA-N 0 0 447.514 2.783 50 0 IFAARN COc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)cc1 ZINC000009243477 569514925 /nfs/dbraw/zinc/51/49/25/569514925.db2.gz IIQIIMURHGDLBG-UHFFFAOYSA-N 0 0 437.887 2.759 50 0 IFAARN Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2ccc(O)cc2O)OCC3(C)C)c(=O)n(C)c1=O ZINC000009252834 569516089 /nfs/dbraw/zinc/51/60/89/569516089.db2.gz MCJYJLSMSKFPIM-QFIPXVFZSA-N 0 0 447.491 2.972 50 0 IFAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009254856 569516408 /nfs/dbraw/zinc/51/64/08/569516408.db2.gz XHUJFIHRNDVCKZ-CYBMUJFWSA-N 0 0 439.859 2.684 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000009255882 569516626 /nfs/dbraw/zinc/51/66/26/569516626.db2.gz IZRVOGUCJWOHCI-DFBJGRDBSA-N 0 0 449.507 2.809 50 0 IFAARN O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(Br)cc1F ZINC000009257506 569516846 /nfs/dbraw/zinc/51/68/46/569516846.db2.gz BWVXRWHPLAUATE-UHFFFAOYSA-N 0 0 434.221 2.518 50 0 IFAARN CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1OC ZINC000009260319 569516906 /nfs/dbraw/zinc/51/69/06/569516906.db2.gz GZRCGWZFIOQZFA-GOSISDBHSA-N 0 0 437.543 2.568 50 0 IFAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)N3CC[C@H](C)Sc4ccccc43)C2=O)cc1 ZINC000009258006 569516914 /nfs/dbraw/zinc/51/69/14/569516914.db2.gz JVFYWISVQVZRPR-AWEZNQCLSA-N 0 0 439.493 2.908 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)c1 ZINC000009261421 569516964 /nfs/dbraw/zinc/51/69/64/569516964.db2.gz MUSXJDBRMLLVDX-UHFFFAOYSA-N 0 0 432.531 2.501 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CCNC(=O)c2ccccc2F)n1C ZINC000009262977 569517128 /nfs/dbraw/zinc/51/71/28/569517128.db2.gz MBVIOFDCDQTPDR-PBHICJAKSA-N 0 0 433.553 2.714 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(S[C@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1 ZINC000009264008 569517236 /nfs/dbraw/zinc/51/72/36/569517236.db2.gz SMWKNNABDJEAKW-GFCCVEGCSA-N 0 0 446.558 2.638 50 0 IFAARN COc1ccccc1C(=O)NCc1nnc(S[C@H](C)C(=O)Nc2nc(C)cs2)n1C ZINC000009264093 569517292 /nfs/dbraw/zinc/51/72/92/569517292.db2.gz XTCOAYRPUVTLNH-GFCCVEGCSA-N 0 0 446.558 2.638 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009269338 569517594 /nfs/dbraw/zinc/51/75/94/569517594.db2.gz UTGQKAPGFIZIAH-RBUKOAKNSA-N 0 0 447.944 2.949 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3cc(C)cc(C)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009269349 569517681 /nfs/dbraw/zinc/51/76/81/569517681.db2.gz QLNGSRWZURGZTM-NHCUHLMSSA-N 0 0 441.553 2.912 50 0 IFAARN Cc1ccc(CNS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)cc1 ZINC000009274203 569518155 /nfs/dbraw/zinc/51/81/55/569518155.db2.gz ZIRKYZDBHHOQJO-UHFFFAOYSA-N 0 0 427.507 2.726 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O ZINC000009274265 569518169 /nfs/dbraw/zinc/51/81/69/569518169.db2.gz OIPJPGNMRRPPOH-UHFFFAOYSA-N 0 0 439.468 2.838 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000009287520 569519310 /nfs/dbraw/zinc/51/93/10/569519310.db2.gz UBPNIUAMNLYWBV-UHFFFAOYSA-N 0 0 433.965 2.894 50 0 IFAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000009287778 569519330 /nfs/dbraw/zinc/51/93/30/569519330.db2.gz GQBDUYGKHFJKFY-QGZVFWFLSA-N 0 0 443.573 2.987 50 0 IFAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 ZINC000009290108 569519683 /nfs/dbraw/zinc/51/96/83/569519683.db2.gz ABXHHDUKOVHHKU-GFCCVEGCSA-N 0 0 445.574 2.816 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)N(C)c1ccc(C)c(C)c1 ZINC000009301215 569520677 /nfs/dbraw/zinc/52/06/77/569520677.db2.gz DFCPJAGYUTYULI-UHFFFAOYSA-N 0 0 435.546 2.709 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1C ZINC000009300976 569520728 /nfs/dbraw/zinc/52/07/28/569520728.db2.gz NPQHCVPIRLHORM-UHFFFAOYSA-N 0 0 425.482 2.515 50 0 IFAARN Cc1nc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)sc1C ZINC000009302361 569520807 /nfs/dbraw/zinc/52/08/07/569520807.db2.gz BEJVYYMPEWPBPC-UHFFFAOYSA-N 0 0 448.549 2.731 50 0 IFAARN Cc1nc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)sc1C ZINC000009302446 569520851 /nfs/dbraw/zinc/52/08/51/569520851.db2.gz DQUNPHLYUFCWKT-UHFFFAOYSA-N 0 0 434.522 2.940 50 0 IFAARN COc1ccc(C(=O)Nn2cc3c(c2-c2ccccc2Cl)c(=O)n(C)c(=O)n3C)cc1 ZINC000009302853 569520879 /nfs/dbraw/zinc/52/08/79/569520879.db2.gz LFIYUKOSKUVUER-UHFFFAOYSA-N 0 0 438.871 2.752 50 0 IFAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)c1ccccc1 ZINC000009303566 569521033 /nfs/dbraw/zinc/52/10/33/569521033.db2.gz HRIUFRFTCFQMRZ-GDBMZVCRSA-N 0 0 430.555 2.969 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000009304093 569521093 /nfs/dbraw/zinc/52/10/93/569521093.db2.gz IBNDXLOODJGBRG-PKOBYXMFSA-N 0 0 441.871 2.954 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)cc1 ZINC000009304285 569521159 /nfs/dbraw/zinc/52/11/59/569521159.db2.gz OPDSOHUFFOPVOD-INIZCTEOSA-N 0 0 431.514 2.693 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(F)cc3)C2)cc1 ZINC000009305076 569521252 /nfs/dbraw/zinc/52/12/52/569521252.db2.gz TYNTUULJVDHEGC-GOSISDBHSA-N 0 0 447.532 2.544 50 0 IFAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)Nc1ccc(Cl)cc1 ZINC000009305982 569521306 /nfs/dbraw/zinc/52/13/06/569521306.db2.gz RKLLNHCABUBPMS-HOTGVXAUSA-N 0 0 449.960 2.884 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000009306496 569521360 /nfs/dbraw/zinc/52/13/60/569521360.db2.gz MQXONOHBUYBROB-LJQANCHMSA-N 0 0 429.542 2.704 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000009314375 569521985 /nfs/dbraw/zinc/52/19/85/569521985.db2.gz BAURSEKHGUXDRR-UHFFFAOYSA-N 0 0 438.553 2.777 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009314882 569522040 /nfs/dbraw/zinc/52/20/40/569522040.db2.gz KWEOIDVYCMTWQI-UHFFFAOYSA-N 0 0 441.912 2.859 50 0 IFAARN O=C(CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(F)c(Cl)c1 ZINC000009315251 569522096 /nfs/dbraw/zinc/52/20/96/569522096.db2.gz HUAXHJYAVWQLLM-UHFFFAOYSA-N 0 0 445.875 2.690 50 0 IFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccccc3)c2)C1 ZINC000009335314 569523289 /nfs/dbraw/zinc/52/32/89/569523289.db2.gz VMSMRVWPZXGPGV-ROUUACIJSA-N 0 0 444.553 2.826 50 0 IFAARN Cc1cccc(Nc2nnc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)s2)c1 ZINC000009335898 569523345 /nfs/dbraw/zinc/52/33/45/569523345.db2.gz GFGOKIJGVQVEFK-UHFFFAOYSA-N 0 0 446.558 2.968 50 0 IFAARN Nc1nc(CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)nc(Nc2ccc(F)cc2)n1 ZINC000009336592 569523473 /nfs/dbraw/zinc/52/34/73/569523473.db2.gz YYTQAFHKBLGKMF-FQEVSTJZSA-N 0 0 439.476 2.682 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N ZINC000009337183 569523511 /nfs/dbraw/zinc/52/35/11/569523511.db2.gz SAZMAHUUQLUWQF-OAHLLOKOSA-N 0 0 425.268 2.633 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCn1ccc2ccccc21 ZINC000009339397 569523786 /nfs/dbraw/zinc/52/37/86/569523786.db2.gz VDJGKVBZVXHICG-IBGZPJMESA-N 0 0 428.558 2.863 50 0 IFAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 ZINC000009340688 569523850 /nfs/dbraw/zinc/52/38/50/569523850.db2.gz DIWBIBLNZXIFIW-XNWPKKHHSA-N 0 0 434.279 2.893 50 0 IFAARN O=C(C1CCC(CNS(=O)(=O)c2ccccc2)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000009346139 569524218 /nfs/dbraw/zinc/52/42/18/569524218.db2.gz RDMNATBELOOMFB-NWEKGRFWSA-N 0 0 434.602 2.925 50 0 IFAARN COc1cccc([C@H]2OCCn3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1O ZINC000009348252 569524469 /nfs/dbraw/zinc/52/44/69/569524469.db2.gz GFKVANNGOUCSKP-HSZRJFAPSA-N 0 0 447.491 2.848 50 0 IFAARN CCn1c(CSCC(=O)NC(C)C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009350375 569524824 /nfs/dbraw/zinc/52/48/24/569524824.db2.gz IPFAFNZPQRNHPY-UHFFFAOYSA-N 0 0 438.619 2.989 50 0 IFAARN C[C@H](OC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000009361833 569525860 /nfs/dbraw/zinc/52/58/60/569525860.db2.gz YVEFVFFQIDZSDK-LBPRGKRZSA-N 0 0 435.889 2.549 50 0 IFAARN COc1cccc(OC)c1C(=O)Nc1nnc(SCC(=O)Nc2nccs2)s1 ZINC000009368173 569526636 /nfs/dbraw/zinc/52/66/36/569526636.db2.gz DPOHRXNCDDUBIY-UHFFFAOYSA-N 0 0 437.528 2.995 50 0 IFAARN CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(F)cc1 ZINC000009380893 569527962 /nfs/dbraw/zinc/52/79/62/569527962.db2.gz QKVVOKBCHUMAPF-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3c(F)cccc3Cl)C2)cc1 ZINC000009382129 569528241 /nfs/dbraw/zinc/52/82/41/569528241.db2.gz MELADLJXLPKILN-INIZCTEOSA-N 0 0 445.925 2.961 50 0 IFAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)CN3C(=O)NC(C)(C)C3=O)n2)cc1 ZINC000009388200 569528510 /nfs/dbraw/zinc/52/85/10/569528510.db2.gz HYSCPQMSGNSXSH-GFCCVEGCSA-N 0 0 444.513 2.573 50 0 IFAARN CCCn1c(Cn2c(=O)onc2-c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000070016365 569528639 /nfs/dbraw/zinc/52/86/39/569528639.db2.gz NMQFJECLGQRIJY-UHFFFAOYSA-N 0 0 441.513 2.562 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000009390566 569528716 /nfs/dbraw/zinc/52/87/16/569528716.db2.gz ORZBVWBWKJFQPR-UHFFFAOYSA-N 0 0 443.525 2.730 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1)c1ccco1 ZINC000009391642 569528961 /nfs/dbraw/zinc/52/89/61/569528961.db2.gz VUEIUPWPQQSBPY-CVEARBPZSA-N 0 0 439.493 2.502 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3cccc(Cl)c3)cc2C[C@H]1C ZINC000009396829 569529189 /nfs/dbraw/zinc/52/91/89/569529189.db2.gz MRMRPYOWPXHWSB-CYBMUJFWSA-N 0 0 435.933 2.897 50 0 IFAARN O=C(CSc1nc2nccnc2c(=O)n1Cc1ccc2c(c1)OCO2)Nc1ccccc1 ZINC000009405324 569529855 /nfs/dbraw/zinc/52/98/55/569529855.db2.gz IOFVMOMPIQRBNG-UHFFFAOYSA-N 0 0 447.476 2.694 50 0 IFAARN COc1ccccc1NC(=O)CSc1nc2nccnc2c(=O)n1CCCOC(C)C ZINC000009405364 569529862 /nfs/dbraw/zinc/52/98/62/569529862.db2.gz LLXVAMJNECYNAF-UHFFFAOYSA-N 0 0 443.529 2.741 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2ccccc2F)c1=O)CCN3c1ccc(Cl)cc1 ZINC000009406699 569530145 /nfs/dbraw/zinc/53/01/45/569530145.db2.gz SHJAUASVHVSNIJ-UHFFFAOYSA-N 0 0 425.851 2.889 50 0 IFAARN Cc1cc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c2ccc(C(C)C)cc2)n[nH]1 ZINC000009408353 569530528 /nfs/dbraw/zinc/53/05/28/569530528.db2.gz ZVHZDRXJRRTUJN-DLBZAZTESA-N 0 0 447.586 2.555 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccc(F)cc2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009408269 569530555 /nfs/dbraw/zinc/53/05/55/569530555.db2.gz NNKPEPIBGIMVPN-ZWKOTPCHSA-N 0 0 449.529 2.548 50 0 IFAARN COc1cccc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c2ccccc2F)c1 ZINC000009408448 569530603 /nfs/dbraw/zinc/53/06/03/569530603.db2.gz RMWNSAGUNXTKGP-AEFFLSMTSA-N 0 0 449.529 2.548 50 0 IFAARN COc1cccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c2ccccc2F)c1 ZINC000009408451 569530613 /nfs/dbraw/zinc/53/06/13/569530613.db2.gz RMWNSAGUNXTKGP-FUHWJXTLSA-N 0 0 449.529 2.548 50 0 IFAARN O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000009412764 569531658 /nfs/dbraw/zinc/53/16/58/569531658.db2.gz JGKQLAPNKZTDRY-UHFFFAOYSA-N 0 0 432.337 2.774 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)Nc1ccccc1C(F)(F)F ZINC000009412667 569531683 /nfs/dbraw/zinc/53/16/83/569531683.db2.gz SZCKMNVOMMNKKJ-UHFFFAOYSA-N 0 0 446.364 2.833 50 0 IFAARN O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009413966 569531903 /nfs/dbraw/zinc/53/19/03/569531903.db2.gz SSXVBXUZBLOOSS-LJQANCHMSA-N 0 0 431.489 2.744 50 0 IFAARN COc1ccc(N(C(=O)c2ccc(OC)c(OC)c2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000009416105 569532276 /nfs/dbraw/zinc/53/22/76/569532276.db2.gz BHMAQHFYJCNMRD-OAHLLOKOSA-N 0 0 433.482 2.679 50 0 IFAARN Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000009415912 569532279 /nfs/dbraw/zinc/53/22/79/569532279.db2.gz NCBPXWGCLMMKEQ-IBGZPJMESA-N 0 0 448.566 2.511 50 0 IFAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnnn1C[C@H]1CCCO1 ZINC000009416175 569532297 /nfs/dbraw/zinc/53/22/97/569532297.db2.gz WYEFMORUOMHBCL-CQSZACIVSA-N 0 0 433.925 2.637 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 ZINC000009416505 569532334 /nfs/dbraw/zinc/53/23/34/569532334.db2.gz ARQLNHRBHIZYLS-UHFFFAOYSA-N 0 0 435.415 2.537 50 0 IFAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2ccc4c(c2)OCCO4)c3=O)cc1C ZINC000009416544 569532339 /nfs/dbraw/zinc/53/23/39/569532339.db2.gz SPNNMYVDNCOYDY-UHFFFAOYSA-N 0 0 431.452 2.609 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000009416565 569532351 /nfs/dbraw/zinc/53/23/51/569532351.db2.gz BLRHCQUJUMFOSW-UHFFFAOYSA-N 0 0 430.468 2.796 50 0 IFAARN CCCCn1c2ncn(Cc3ccco3)c2c(=O)n(CC(=O)Nc2ccccc2C)c1=O ZINC000009417515 569532375 /nfs/dbraw/zinc/53/23/75/569532375.db2.gz AWCQLBDUTQPPLD-UHFFFAOYSA-N 0 0 435.484 2.748 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1 ZINC000009418434 569532412 /nfs/dbraw/zinc/53/24/12/569532412.db2.gz RPUDAMLERHQJSW-VQIMIIECSA-N 0 0 429.542 2.923 50 0 IFAARN COc1cc(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000009424106 569533043 /nfs/dbraw/zinc/53/30/43/569533043.db2.gz JXZQIGXJDRXDNU-AWEZNQCLSA-N 0 0 425.528 2.603 50 0 IFAARN Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)COc2ccc(Cl)cc2)c1 ZINC000009426082 569533241 /nfs/dbraw/zinc/53/32/41/569533241.db2.gz KGGZQRJEHDEBFO-IBGZPJMESA-N 0 0 429.904 2.691 50 0 IFAARN COc1ccc(/C=C\C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1OC ZINC000009428173 569533491 /nfs/dbraw/zinc/53/34/91/569533491.db2.gz XWYMNUAOROPDLE-POHAHGRESA-N 0 0 438.480 2.935 50 0 IFAARN O=C(NC1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000009430743 569533974 /nfs/dbraw/zinc/53/39/74/569533974.db2.gz FYFQWERNRHQEBJ-QGZVFWFLSA-N 0 0 431.558 2.768 50 0 IFAARN O=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000009430741 569534006 /nfs/dbraw/zinc/53/40/06/569534006.db2.gz FYFQWERNRHQEBJ-KRWDZBQOSA-N 0 0 431.558 2.768 50 0 IFAARN COc1ccc(NC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3C)cc1OC ZINC000009431268 569534097 /nfs/dbraw/zinc/53/40/97/569534097.db2.gz QSLKXDBYUWSDSO-UHFFFAOYSA-N 0 0 427.486 2.621 50 0 IFAARN CCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000009431768 569534275 /nfs/dbraw/zinc/53/42/75/569534275.db2.gz NOYBJTCBGDJJFE-UHFFFAOYSA-N 0 0 442.950 2.515 50 0 IFAARN CCn1cc(C(=O)NCCC(=O)N[C@@H](C)c2ccccc2)c(=O)c2cc3c(cc21)OCO3 ZINC000009435399 569534810 /nfs/dbraw/zinc/53/48/10/569534810.db2.gz IXBMUBCMKWOTKN-HNNXBMFYSA-N 0 0 435.480 2.747 50 0 IFAARN CCCCN(C(=O)COC(=O)Cc1coc2cc(C)c(C)cc12)[C@H]1CCS(=O)(=O)C1 ZINC000009436566 569534917 /nfs/dbraw/zinc/53/49/17/569534917.db2.gz GCTSIWGSUCHHDF-SFHVURJKSA-N 0 0 435.542 2.951 50 0 IFAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000009439065 569534998 /nfs/dbraw/zinc/53/49/98/569534998.db2.gz MTLAALAMEQKAEE-UHFFFAOYSA-N 0 0 433.508 2.991 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)CCC(=O)Nc1ccc(Cl)cc1F)OCC(=O)N2 ZINC000009440078 569535167 /nfs/dbraw/zinc/53/51/67/569535167.db2.gz BDMKDUGIJNGZIP-UHFFFAOYSA-N 0 0 426.853 2.921 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000009440422 569535217 /nfs/dbraw/zinc/53/52/17/569535217.db2.gz XUVOMLBOWUEXIF-GFCCVEGCSA-N 0 0 434.901 2.813 50 0 IFAARN CCN(CC)c1nc(O)c(CC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)s1 ZINC000009440522 569535233 /nfs/dbraw/zinc/53/52/33/569535233.db2.gz ROTWZHSEXNQBSN-KRWDZBQOSA-N 0 0 428.514 2.878 50 0 IFAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C(=O)NC1CCCC1 ZINC000009442343 569535490 /nfs/dbraw/zinc/53/54/90/569535490.db2.gz NDCFWRZCYCLZJX-ZACQAIPSSA-N 0 0 436.574 2.957 50 0 IFAARN COc1ccc(Cc2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)n2N)cc1OC ZINC000009442154 569535506 /nfs/dbraw/zinc/53/55/06/569535506.db2.gz KJVUKYFHZKNUFJ-IIAWOOMASA-N 0 0 433.578 2.633 50 0 IFAARN COc1ccc(-c2csc(NC(=O)COC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)n2)cc1 ZINC000009442496 569535563 /nfs/dbraw/zinc/53/55/63/569535563.db2.gz ABWNXQAYJZVPHF-FOIQADDNSA-N 0 0 447.538 2.754 50 0 IFAARN CCOC(=O)C1=C(NC(=O)Cc2n[nH]c(=O)c3ccccc23)Nc2ccccc2N=C1C ZINC000009442604 569535614 /nfs/dbraw/zinc/53/56/14/569535614.db2.gz YLDSZBIPLQDYLD-UHFFFAOYSA-N 0 0 431.452 2.575 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)on2)c1 ZINC000009442807 569535671 /nfs/dbraw/zinc/53/56/71/569535671.db2.gz OXJKPNDPMZCBEU-UHFFFAOYSA-N 0 0 443.481 2.994 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 ZINC000009445447 569535828 /nfs/dbraw/zinc/53/58/28/569535828.db2.gz XYVKTIQKLRBHCA-UHFFFAOYSA-N 0 0 449.488 2.643 50 0 IFAARN COCCCn1c(C(=O)Nc2ccc(OC)cc2OC)cc2c1nc1ccccn1c2=O ZINC000009451680 569536437 /nfs/dbraw/zinc/53/64/37/569536437.db2.gz WVFSOIULHJDFKJ-UHFFFAOYSA-N 0 0 436.468 2.955 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1 ZINC000009452143 569536473 /nfs/dbraw/zinc/53/64/73/569536473.db2.gz OCXWVYMCAVPLDJ-SGXKBVARSA-N 0 0 435.524 2.747 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000009453842 569536678 /nfs/dbraw/zinc/53/66/78/569536678.db2.gz PYYXPPVCAWMTRU-JPYJTQIMSA-N 0 0 436.468 2.686 50 0 IFAARN Cn1c2nc3n(cc(C45CC6CC(CC(C6)C4)C5)n3Cc3ccco3)c2c(=O)n(C)c1=O ZINC000009461768 569537176 /nfs/dbraw/zinc/53/71/76/569537176.db2.gz ZGRFFCOGZNAFQD-UHFFFAOYSA-N 0 0 433.512 2.796 50 0 IFAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3cccc(Cl)c3)c2)CC1 ZINC000009463752 569537526 /nfs/dbraw/zinc/53/75/26/569537526.db2.gz QPCHUEBTKYEOQG-OAHLLOKOSA-N 0 0 449.960 2.684 50 0 IFAARN CN(CC(=O)NCc1ccco1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000009468828 569538671 /nfs/dbraw/zinc/53/86/71/569538671.db2.gz QMSQSXZVCFLPKY-UHFFFAOYSA-N 0 0 425.514 2.605 50 0 IFAARN Cn1c(=O)c2c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)ccnc2n(C)c1=O ZINC000009471978 569538992 /nfs/dbraw/zinc/53/89/92/569538992.db2.gz JCDHGOWOZWVRHQ-UHFFFAOYSA-N 0 0 425.297 2.670 50 0 IFAARN CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000009477213 569539162 /nfs/dbraw/zinc/53/91/62/569539162.db2.gz MSXRRUJUIMRKPG-UHFFFAOYSA-N 0 0 427.954 2.712 50 0 IFAARN NC(=O)c1c(NC(=O)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)sc2c1CCC2 ZINC000009486809 569539640 /nfs/dbraw/zinc/53/96/40/569539640.db2.gz WKVKUCKZGFVXIX-UHFFFAOYSA-N 0 0 430.917 2.768 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cc(=O)c3ccccc3o2)NC(=O)N[C@@H]1c1ccccc1 ZINC000009492193 569540524 /nfs/dbraw/zinc/54/05/24/569540524.db2.gz JXTUAJKZXVZAHI-OAQYLSRUSA-N 0 0 448.431 2.821 50 0 IFAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000009495215 569540989 /nfs/dbraw/zinc/54/09/89/569540989.db2.gz PWIWTZJLDJNVPA-DEOSSOPVSA-N 0 0 435.480 2.547 50 0 IFAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000009495218 569540990 /nfs/dbraw/zinc/54/09/90/569540990.db2.gz PWIWTZJLDJNVPA-XMMPIXPASA-N 0 0 435.480 2.547 50 0 IFAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(=O)[nH]c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000009499166 569541470 /nfs/dbraw/zinc/54/14/70/569541470.db2.gz UKQDECMYRCCWEW-HNNXBMFYSA-N 0 0 446.463 2.510 50 0 IFAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)n1nc(-c2cccs2)oc1=O ZINC000009501324 569541627 /nfs/dbraw/zinc/54/16/27/569541627.db2.gz JLJKHVZBZWCKDT-CYBMUJFWSA-N 0 0 448.526 2.549 50 0 IFAARN CN(C(=O)Cn1c2ccc(S(=O)(=O)N3CCCCCC3)cc2oc1=O)C1CCCCC1 ZINC000009502318 569541647 /nfs/dbraw/zinc/54/16/47/569541647.db2.gz UGYPJOYQRDACHG-UHFFFAOYSA-N 0 0 449.573 2.950 50 0 IFAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)Nc1ccc(F)cc1 ZINC000009502294 569541648 /nfs/dbraw/zinc/54/16/48/569541648.db2.gz SYBQVUMVNCEYMO-UHFFFAOYSA-N 0 0 447.488 2.937 50 0 IFAARN CCOC(=O)c1ccc(OS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 ZINC000009506853 569541905 /nfs/dbraw/zinc/54/19/05/569541905.db2.gz ZWUPYNZJZOJNBH-UHFFFAOYSA-N 0 0 442.467 2.574 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc2)C1 ZINC000009508980 569542471 /nfs/dbraw/zinc/54/24/71/569542471.db2.gz MBXDQUFQHXPZMD-HZPDHXFCSA-N 0 0 440.529 2.581 50 0 IFAARN Cc1c(NC(=O)CSc2nnc3[nH]c4ccccc4n32)c(=O)n(-c2ccccc2)n1C ZINC000009508962 569542474 /nfs/dbraw/zinc/54/24/74/569542474.db2.gz YJBNKBJUZBPZEI-UHFFFAOYSA-N 0 0 433.497 2.739 50 0 IFAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000009514009 569543128 /nfs/dbraw/zinc/54/31/28/569543128.db2.gz DLLRKEQFVSKWKH-RUZDIDTESA-N 0 0 449.507 2.590 50 0 IFAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2cn3ccccc3n2)C1=O ZINC000009516842 569543479 /nfs/dbraw/zinc/54/34/79/569543479.db2.gz IDXPIXDYQYAECO-DEOSSOPVSA-N 0 0 427.464 2.571 50 0 IFAARN CN(C(=O)Cn1cnc2c(nnn2-c2ccc(OC(F)(F)F)cc2)c1=O)c1ccccc1 ZINC000009517802 569543754 /nfs/dbraw/zinc/54/37/54/569543754.db2.gz RHWALUYAIFICGG-UHFFFAOYSA-N 0 0 444.373 2.539 50 0 IFAARN Nc1nc(SCC(=O)N2CCCCCC2)[nH]c(=O)c1NC(=O)c1ccc(Cl)cc1 ZINC000009518142 569543896 /nfs/dbraw/zinc/54/38/96/569543896.db2.gz PKNYRMQDOUWVGZ-UHFFFAOYSA-N 0 0 435.937 2.753 50 0 IFAARN Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O ZINC000009519029 569544177 /nfs/dbraw/zinc/54/41/77/569544177.db2.gz PRXGYMMWOFCSQK-UHFFFAOYSA-N 0 0 429.524 2.706 50 0 IFAARN Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4Cc3ccccc3)n(C)c2=O)c1 ZINC000009519113 569544271 /nfs/dbraw/zinc/54/42/71/569544271.db2.gz GAEKKJAEIQMOTM-GOSISDBHSA-N 0 0 429.524 2.910 50 0 IFAARN COc1ccc(Cn2c(CO)cnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000009529214 569544801 /nfs/dbraw/zinc/54/48/01/569544801.db2.gz BVIYBZLDILYSOB-UHFFFAOYSA-N 0 0 441.509 2.570 50 0 IFAARN O=C(NCCc1ccccc1Cl)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009529874 569544941 /nfs/dbraw/zinc/54/49/41/569544941.db2.gz KPGXVVZPLVPKJQ-QZTJIDSGSA-N 0 0 449.985 2.993 50 0 IFAARN Cc1ccsc1CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009530045 569544965 /nfs/dbraw/zinc/54/49/65/569544965.db2.gz FRUXCILCLTZLRG-WMZOPIPTSA-N 0 0 449.623 2.638 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000009530583 569545018 /nfs/dbraw/zinc/54/50/18/569545018.db2.gz PMGPFKCUPNMGCZ-OAHLLOKOSA-N 0 0 444.538 2.933 50 0 IFAARN COc1cc(C(=O)N2CCC[C@H]2c2cccs2)ccc1OCC(=O)N1CCOCC1 ZINC000009536914 569545607 /nfs/dbraw/zinc/54/56/07/569545607.db2.gz MFELGLPDXIFDHH-KRWDZBQOSA-N 0 0 430.526 2.972 50 0 IFAARN COc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 ZINC000009545683 569546126 /nfs/dbraw/zinc/54/61/26/569546126.db2.gz FVPOHBDQTDCXJX-UHFFFAOYSA-N 0 0 444.431 2.987 50 0 IFAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)n1 ZINC000009545434 569546137 /nfs/dbraw/zinc/54/61/37/569546137.db2.gz JMIBWDLMNNRUEG-UHFFFAOYSA-N 0 0 440.525 2.762 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)CC2 ZINC000009546941 569546406 /nfs/dbraw/zinc/54/64/06/569546406.db2.gz FYURLBHHPMTJCU-UHFFFAOYSA-N 0 0 430.526 2.687 50 0 IFAARN C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009549111 569546532 /nfs/dbraw/zinc/54/65/32/569546532.db2.gz KTOLSWQICZMFBR-HNNXBMFYSA-N 0 0 442.497 2.927 50 0 IFAARN COc1ccc(OC)c2[nH]c(=O)c(CCNS(=O)(=O)c3c(C)cc(C)cc3C)cc12 ZINC000009560090 569547024 /nfs/dbraw/zinc/54/70/24/569547024.db2.gz HJYWFAMWDIQGBZ-UHFFFAOYSA-N 0 0 430.526 2.992 50 0 IFAARN COc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cccc(F)c4)n3n2)cc1 ZINC000009568982 569547497 /nfs/dbraw/zinc/54/74/97/569547497.db2.gz OXTDBILXDMWMEF-UHFFFAOYSA-N 0 0 439.472 2.903 50 0 IFAARN Cc1nn(C(=O)c2cc3ccccc3oc2=O)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000009569753 569547648 /nfs/dbraw/zinc/54/76/48/569547648.db2.gz VQKBINCJTIANLR-UHFFFAOYSA-N 0 0 429.498 2.715 50 0 IFAARN COc1cc(C)c(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1C ZINC000009572690 569547854 /nfs/dbraw/zinc/54/78/54/569547854.db2.gz DTERWJDGNHHBHN-UHFFFAOYSA-N 0 0 447.538 2.973 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CCCC2)cc1 ZINC000009577139 569548152 /nfs/dbraw/zinc/54/81/52/569548152.db2.gz RJMCXISQUJRDFX-JOCHJYFZSA-N 0 0 441.553 2.819 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CCCC2)cc1 ZINC000009577142 569548185 /nfs/dbraw/zinc/54/81/85/569548185.db2.gz RJMCXISQUJRDFX-QFIPXVFZSA-N 0 0 441.553 2.819 50 0 IFAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCc1ccc(N3CCCC3=O)cc1)C2=O ZINC000009579053 569548456 /nfs/dbraw/zinc/54/84/56/569548456.db2.gz WIYDWXIGYQZYDP-VOIUYBSRSA-N 0 0 440.544 2.566 50 0 IFAARN O=c1cc(-c2ccc(F)cc2)ncn1CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000070637565 569548918 /nfs/dbraw/zinc/54/89/18/569548918.db2.gz GKSORRDJLOFVNI-UHFFFAOYSA-N 0 0 427.501 2.907 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O ZINC000009583432 569549299 /nfs/dbraw/zinc/54/92/99/569549299.db2.gz NCUGECFYZBYNFZ-LJQANCHMSA-N 0 0 447.241 2.874 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCCCCC3)CC2)c(C)c1 ZINC000009583162 569549303 /nfs/dbraw/zinc/54/93/03/569549303.db2.gz OGSNVUUNOKWTDE-UHFFFAOYSA-N 0 0 449.617 2.628 50 0 IFAARN Cc1noc(CNC(=O)C2CCN(C(=O)CSc3nc4ccccc4s3)CC2)n1 ZINC000070655623 569550074 /nfs/dbraw/zinc/55/00/74/569550074.db2.gz ZBOAQGSWOXTTIY-UHFFFAOYSA-N 0 0 431.543 2.635 50 0 IFAARN COc1ccccc1CCNC(=O)[C@@H]1CCCN(c2cc(-n3nc(C)cc3C)ncn2)C1 ZINC000070656071 569550123 /nfs/dbraw/zinc/55/01/23/569550123.db2.gz GNKJSDWPUSKFOB-HXUWFJFHSA-N 0 0 434.544 2.863 50 0 IFAARN CC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)s1 ZINC000009591767 569550235 /nfs/dbraw/zinc/55/02/35/569550235.db2.gz HGNKNFNTEQACJD-HSZRJFAPSA-N 0 0 439.537 2.987 50 0 IFAARN Cc1sc2nc([C@@H](C)OC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)[nH]c(=O)c2c1C ZINC000009594051 569550525 /nfs/dbraw/zinc/55/05/25/569550525.db2.gz FEVMRWFHKGQCGM-MRVPVSSYSA-N 0 0 441.918 2.820 50 0 IFAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C[C@@H](C)CC2 ZINC000009599739 569551336 /nfs/dbraw/zinc/55/13/36/569551336.db2.gz UODMCBVJQMAXGL-LBPRGKRZSA-N 0 0 435.571 2.735 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1 ZINC000009604748 569551871 /nfs/dbraw/zinc/55/18/71/569551871.db2.gz GMFKMWXHGVNNDB-UHFFFAOYSA-N 0 0 445.476 2.552 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(NC(=O)COc1ccc(C(=O)c3ccccc3)cc1)C2=O ZINC000009609317 569552330 /nfs/dbraw/zinc/55/23/30/569552330.db2.gz YZAPESUCTWTGEQ-UHFFFAOYSA-N 0 0 435.480 2.828 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000009609424 569552335 /nfs/dbraw/zinc/55/23/35/569552335.db2.gz UODHRPXRBBPCKG-UHFFFAOYSA-N 0 0 448.401 2.852 50 0 IFAARN Cn1cccc1Cc1nnc(SCC(=O)N2CCOCC2)n1-c1ccc(Cl)cc1 ZINC000009611602 569552817 /nfs/dbraw/zinc/55/28/17/569552817.db2.gz XCLMOZNUTNPKBI-UHFFFAOYSA-N 0 0 431.949 2.801 50 0 IFAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009612662 569552914 /nfs/dbraw/zinc/55/29/14/569552914.db2.gz UTPAPLGUJNXLKV-UHFFFAOYSA-N 0 0 431.754 2.640 50 0 IFAARN NC(=O)C1CCN(C(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)CC1 ZINC000009614594 569553132 /nfs/dbraw/zinc/55/31/32/569553132.db2.gz JYKHIOYUCXZTCY-HSZRJFAPSA-N 0 0 430.508 2.827 50 0 IFAARN CCN(C(=O)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)c1cccc(C)c1 ZINC000009615832 569553270 /nfs/dbraw/zinc/55/32/70/569553270.db2.gz DPSHIZDKXNMDBI-UHFFFAOYSA-N 0 0 428.514 2.985 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(-c2cccc(F)c2)c1=O ZINC000009616313 569553288 /nfs/dbraw/zinc/55/32/88/569553288.db2.gz FPYDGCDWDWRQQA-UHFFFAOYSA-N 0 0 447.422 2.717 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1 ZINC000009616628 569553318 /nfs/dbraw/zinc/55/33/18/569553318.db2.gz DVAULKXATLXYDD-GOSISDBHSA-N 0 0 442.483 2.650 50 0 IFAARN O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)NC(=O)NCc1ccco1 ZINC000009630781 569553645 /nfs/dbraw/zinc/55/36/45/569553645.db2.gz KAFDVFQUKVVCKW-UHFFFAOYSA-N 0 0 445.435 2.710 50 0 IFAARN CCCNC(=O)NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000009632678 569554094 /nfs/dbraw/zinc/55/40/94/569554094.db2.gz VVCRYXDWBFMDMZ-UHFFFAOYSA-N 0 0 439.497 2.991 50 0 IFAARN CCOc1ccc(OCCOC(=O)CCNS(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000009632981 569554129 /nfs/dbraw/zinc/55/41/29/569554129.db2.gz HJAWEWQRFQZNHE-UHFFFAOYSA-N 0 0 437.514 2.775 50 0 IFAARN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1 ZINC000009633417 569554205 /nfs/dbraw/zinc/55/42/05/569554205.db2.gz RYJOCVLESLERKE-CQSZACIVSA-N 0 0 430.457 2.828 50 0 IFAARN CCN(CC(=O)Nc1ccc(OC)cc1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000009634376 569554467 /nfs/dbraw/zinc/55/44/67/569554467.db2.gz XMSRYXSXBCAXBJ-UHFFFAOYSA-N 0 0 444.513 2.549 50 0 IFAARN Cc1cc(C)n2nc(C(=O)OCC(=O)c3ccc(OC(F)F)cc3OC(F)F)nc2n1 ZINC000009635096 569554584 /nfs/dbraw/zinc/55/45/84/569554584.db2.gz FLQNINNBPGHHDW-UHFFFAOYSA-N 0 0 442.325 2.984 50 0 IFAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 ZINC000009637068 569554810 /nfs/dbraw/zinc/55/48/10/569554810.db2.gz RZTGLIOOBLQUQU-AUSIDOKSSA-N 0 0 437.521 2.854 50 0 IFAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3coc4ccccc4c3=O)c2C(N)=O)C1 ZINC000009638947 569555101 /nfs/dbraw/zinc/55/51/01/569555101.db2.gz HKIPXXFHZFPZQV-UHFFFAOYSA-N 0 0 441.465 2.720 50 0 IFAARN Cc1nn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009639789 569555260 /nfs/dbraw/zinc/55/52/60/569555260.db2.gz RIOQNCWPGDQXAT-UHFFFAOYSA-N 0 0 433.468 2.795 50 0 IFAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2nnc3ccccn32)c1 ZINC000009640301 569555431 /nfs/dbraw/zinc/55/54/31/569555431.db2.gz SBBZXJCURYXCRV-MRXNPFEDSA-N 0 0 447.520 2.799 50 0 IFAARN COc1cccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccc(F)cc3)n2)c1 ZINC000009641177 569555665 /nfs/dbraw/zinc/55/56/65/569555665.db2.gz CDORCPAUFVUHRQ-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009642349 569555793 /nfs/dbraw/zinc/55/57/93/569555793.db2.gz IZVVOBZHUSNWKG-UHFFFAOYSA-N 0 0 442.541 2.992 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)N1CCOCC1 ZINC000009645506 569556143 /nfs/dbraw/zinc/55/61/43/569556143.db2.gz ZYQARFHMIINSJO-UHFFFAOYSA-N 0 0 446.550 2.970 50 0 IFAARN COc1cc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)ccc1OCc1ccccc1 ZINC000009646407 569556268 /nfs/dbraw/zinc/55/62/68/569556268.db2.gz DLDQWMKFHBWJDM-UHFFFAOYSA-N 0 0 437.496 2.755 50 0 IFAARN CC1CCN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 ZINC000009647191 569556393 /nfs/dbraw/zinc/55/63/93/569556393.db2.gz WWISGOUYGCXISY-UHFFFAOYSA-N 0 0 430.526 2.580 50 0 IFAARN COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3cc(C)cc(C)c3)c2=O)cc1 ZINC000009660583 569556880 /nfs/dbraw/zinc/55/68/80/569556880.db2.gz OSUXNSJUKKEUIM-UHFFFAOYSA-N 0 0 444.491 2.871 50 0 IFAARN COc1cccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccc(C)cc3)c2=O)c1 ZINC000009660649 569556887 /nfs/dbraw/zinc/55/68/87/569556887.db2.gz ADUOTDOHSUBHGH-UHFFFAOYSA-N 0 0 430.464 2.562 50 0 IFAARN O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000009660987 569556915 /nfs/dbraw/zinc/55/69/15/569556915.db2.gz DYFYNTDZVLSAKI-UHFFFAOYSA-N 0 0 434.315 2.651 50 0 IFAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000009663381 569557180 /nfs/dbraw/zinc/55/71/80/569557180.db2.gz JNBFAKBCQPVQSZ-RUZDIDTESA-N 0 0 431.492 2.952 50 0 IFAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000009664036 569557335 /nfs/dbraw/zinc/55/73/35/569557335.db2.gz YIXBXIBWYNEECR-KRWDZBQOSA-N 0 0 438.505 2.670 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)CCC2 ZINC000009664061 569557386 /nfs/dbraw/zinc/55/73/86/569557386.db2.gz YBXISMHFHPQCBF-GFCCVEGCSA-N 0 0 439.584 2.579 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c1 ZINC000009665173 569557527 /nfs/dbraw/zinc/55/75/27/569557527.db2.gz KAMCIDSLCBLAKN-NRFANRHFSA-N 0 0 449.410 2.711 50 0 IFAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(F)cc1 ZINC000009666000 569557617 /nfs/dbraw/zinc/55/76/17/569557617.db2.gz GGWYXPYYSGBGBW-UHFFFAOYSA-N 0 0 441.864 2.540 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O)c1cc2ccccc2o1 ZINC000009665967 569557662 /nfs/dbraw/zinc/55/76/62/569557662.db2.gz HUNRUGGDVNUWMC-LFPIHBKWSA-N 0 0 449.463 2.848 50 0 IFAARN O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc2c(c1)OCCCO2 ZINC000009666765 569557811 /nfs/dbraw/zinc/55/78/11/569557811.db2.gz WQNMKHZIDVECMC-UHFFFAOYSA-N 0 0 431.452 2.841 50 0 IFAARN CCCCn1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1Cl ZINC000009671347 569558499 /nfs/dbraw/zinc/55/84/99/569558499.db2.gz SSSIIAIAMXDOSY-UHFFFAOYSA-N 0 0 430.983 2.853 50 0 IFAARN COc1ccc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1S(=O)(=O)N(C)C ZINC000009672278 569558830 /nfs/dbraw/zinc/55/88/30/569558830.db2.gz FKWONXGRNOYIAE-LJQANCHMSA-N 0 0 430.530 2.949 50 0 IFAARN Cc1cc(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 ZINC000009672697 569558872 /nfs/dbraw/zinc/55/88/72/569558872.db2.gz DKWCSEGHEGZSTA-SJORKVTESA-N 0 0 434.583 2.830 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cn(CC(C)C)c(=O)c3cc(OC)c(OC)cc23)CC1 ZINC000009673382 569558920 /nfs/dbraw/zinc/55/89/20/569558920.db2.gz JFGBUJBTABLBED-UHFFFAOYSA-N 0 0 445.516 2.589 50 0 IFAARN COc1ccccc1CNC(=O)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000009673476 569558933 /nfs/dbraw/zinc/55/89/33/569558933.db2.gz JLEHTWWHGWPPFL-UHFFFAOYSA-N 0 0 427.526 2.883 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cc(OC)ccc3OC)ccc21 ZINC000009677277 569559522 /nfs/dbraw/zinc/55/95/22/569559522.db2.gz VYWPTTRHTLLSHY-UHFFFAOYSA-N 0 0 446.525 2.805 50 0 IFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccccc3F)C2)c1 ZINC000009677757 569559616 /nfs/dbraw/zinc/55/96/16/569559616.db2.gz BBNORZNVJHKBGP-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(C)(=O)=O ZINC000009678634 569559686 /nfs/dbraw/zinc/55/96/86/569559686.db2.gz QRWYQXWCVBCDRS-UHFFFAOYSA-N 0 0 433.530 2.628 50 0 IFAARN O=C(COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)NC1CCCCCC1 ZINC000009691214 569561006 /nfs/dbraw/zinc/56/10/06/569561006.db2.gz CGGYPKMDMVTCFI-UHFFFAOYSA-N 0 0 432.542 2.890 50 0 IFAARN O=C(NC1CCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000009692404 569561051 /nfs/dbraw/zinc/56/10/51/569561051.db2.gz OCJAZCYUVBVNMH-QGZVFWFLSA-N 0 0 430.555 2.640 50 0 IFAARN O=C(CSc1nnc(-c2ccco2)o1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009704161 569561403 /nfs/dbraw/zinc/56/14/03/569561403.db2.gz RAPSKKQZXMUPOC-CQSZACIVSA-N 0 0 425.532 2.770 50 0 IFAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009711956 569562113 /nfs/dbraw/zinc/56/21/13/569562113.db2.gz ASCBJUJBGFPUFQ-UHFFFAOYSA-N 0 0 436.516 2.865 50 0 IFAARN CCCCc1ccc(-n2c(C)cn3c2nc2c3c(=O)n([C@@H](C)C(=O)OC)c(=O)n2C)cc1 ZINC000009712990 569562414 /nfs/dbraw/zinc/56/24/14/569562414.db2.gz MCBKSJDQOBAMMX-HNNXBMFYSA-N 0 0 437.500 2.524 50 0 IFAARN CCOCCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccccc2)n(C)c1=O ZINC000009713200 569562520 /nfs/dbraw/zinc/56/25/20/569562520.db2.gz RNPIULXVFSBEBV-UHFFFAOYSA-N 0 0 429.480 2.842 50 0 IFAARN CC(C)CCNC(=O)Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O ZINC000009716356 569563195 /nfs/dbraw/zinc/56/31/95/569563195.db2.gz HMJXJEBGDOBIEO-UHFFFAOYSA-N 0 0 437.544 2.685 50 0 IFAARN COC(=O)c1sccc1S(=O)(=O)NCC1CCN(c2nc3ccccc3o2)CC1 ZINC000070924010 569563548 /nfs/dbraw/zinc/56/35/48/569563548.db2.gz SNQGOKREYYUJRK-UHFFFAOYSA-N 0 0 435.527 2.871 50 0 IFAARN Cn1cc(C(=O)N2CCc3ccccc32)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009724321 569563730 /nfs/dbraw/zinc/56/37/30/569563730.db2.gz XFGQSLXZBVOUEG-UHFFFAOYSA-N 0 0 437.521 2.526 50 0 IFAARN CCc1nn2c(nc(CSc3nnc([C@H]4COc5ccccc5O4)o3)cc2=O)s1 ZINC000009726352 569563883 /nfs/dbraw/zinc/56/38/83/569563883.db2.gz WNSWZIJOJZBWJG-CYBMUJFWSA-N 0 0 429.483 2.901 50 0 IFAARN CC(=O)c1cccc(NC(=O)CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)c1 ZINC000009726605 569563956 /nfs/dbraw/zinc/56/39/56/569563956.db2.gz QZFZQIGESQIRLS-UHFFFAOYSA-N 0 0 429.542 2.897 50 0 IFAARN C[C@@H](C(=O)N1CCCC1)n1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O ZINC000009727191 569564025 /nfs/dbraw/zinc/56/40/25/569564025.db2.gz RURKIQKVFQENMN-KRWDZBQOSA-N 0 0 435.528 2.707 50 0 IFAARN COc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1S(=O)(=O)NC1CC1 ZINC000009728096 569564113 /nfs/dbraw/zinc/56/41/13/569564113.db2.gz XVRJEUGTPVAVPJ-UHFFFAOYSA-N 0 0 429.498 2.515 50 0 IFAARN CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000009733486 569564735 /nfs/dbraw/zinc/56/47/35/569564735.db2.gz SIFHNNNXMSXITN-UHFFFAOYSA-N 0 0 443.978 2.764 50 0 IFAARN NC(=O)c1nc(-c2cccc(Br)c2)nc2c1[nH]c(=O)n2-c1ccccc1F ZINC000009738843 569564917 /nfs/dbraw/zinc/56/49/17/569564917.db2.gz GUAMNJQUCDIVEF-UHFFFAOYSA-N 0 0 428.221 2.776 50 0 IFAARN O=C(CSc1nnnn1Cc1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009740883 569565180 /nfs/dbraw/zinc/56/51/80/569565180.db2.gz GHJUZBDMEQICBG-UHFFFAOYSA-N 0 0 449.583 2.542 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)CCCC2 ZINC000009741001 569565209 /nfs/dbraw/zinc/56/52/09/569565209.db2.gz IRIWMKLSKGGXGA-MRXNPFEDSA-N 0 0 447.582 2.908 50 0 IFAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000009741719 569565294 /nfs/dbraw/zinc/56/52/94/569565294.db2.gz OQMJDXIMPJLKNL-UHFFFAOYSA-N 0 0 429.546 2.525 50 0 IFAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009741831 569565302 /nfs/dbraw/zinc/56/53/02/569565302.db2.gz FEGFKUOCKJWSJA-UHFFFAOYSA-N 0 0 429.498 2.798 50 0 IFAARN O=C(Cn1cnc2sccc2c1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000009742406 569565369 /nfs/dbraw/zinc/56/53/69/569565369.db2.gz LOKGBAOKISBNBA-UHFFFAOYSA-N 0 0 427.511 2.543 50 0 IFAARN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000009742213 569565379 /nfs/dbraw/zinc/56/53/79/569565379.db2.gz VBKWLCALRJATPS-INIZCTEOSA-N 0 0 428.539 2.848 50 0 IFAARN O=C(CCc1nnc2ccc(NCc3ccccc3)nn21)NCc1ccc2c(c1)OCO2 ZINC000009743105 569565410 /nfs/dbraw/zinc/56/54/10/569565410.db2.gz BVLNEDJLOYLYQX-UHFFFAOYSA-N 0 0 430.468 2.714 50 0 IFAARN Cc1ccc(C)c(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 ZINC000009743625 569565487 /nfs/dbraw/zinc/56/54/87/569565487.db2.gz URRBIZJQYNRSHE-LJQANCHMSA-N 0 0 443.569 2.992 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2cccc(F)c2)cc1 ZINC000009745040 569565623 /nfs/dbraw/zinc/56/56/23/569565623.db2.gz YKKBKBQQUIRKJB-IBGZPJMESA-N 0 0 447.532 2.822 50 0 IFAARN CCCCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000009745936 569565722 /nfs/dbraw/zinc/56/57/22/569565722.db2.gz FNDQXZMEKAYMLO-LJQANCHMSA-N 0 0 437.606 2.578 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccccc1Cl ZINC000009761710 569566305 /nfs/dbraw/zinc/56/63/05/569566305.db2.gz IRMGATHKKDQOPV-UHFFFAOYSA-N 0 0 434.857 2.830 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1cccc(F)c1 ZINC000009761870 569566362 /nfs/dbraw/zinc/56/63/62/569566362.db2.gz BXZXYVDCWQISSM-UHFFFAOYSA-N 0 0 429.379 2.705 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000009767101 569566918 /nfs/dbraw/zinc/56/69/18/569566918.db2.gz IJQMMQQOLZLRIS-AWEZNQCLSA-N 0 0 435.933 2.503 50 0 IFAARN C[C@H]1Cc2cc(C(=O)CSc3nnc(-c4cccnc4)n3C)ccc2N1S(C)(=O)=O ZINC000009767603 569566929 /nfs/dbraw/zinc/56/69/29/569566929.db2.gz BCLYWNKDFOBFIL-ZDUSSCGKSA-N 0 0 443.554 2.563 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)Sc2nc3nc(C)cc(C)n3n2)c(=O)n(-c2ccccc2)n1C ZINC000009778568 569567242 /nfs/dbraw/zinc/56/72/42/569567242.db2.gz BLHSKTDNFNPFSX-OAHLLOKOSA-N 0 0 437.529 2.658 50 0 IFAARN O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)NCc1ccc2c(c1)OCO2 ZINC000009780771 569567496 /nfs/dbraw/zinc/56/74/96/569567496.db2.gz DHAOABSFHOATNO-QGZVFWFLSA-N 0 0 427.438 2.719 50 0 IFAARN CCCCCn1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)c2ccccc2c1=O ZINC000009781764 569567642 /nfs/dbraw/zinc/56/76/42/569567642.db2.gz LPFWAJWVDQXUIM-FQEVSTJZSA-N 0 0 437.496 2.806 50 0 IFAARN COc1cc(C(=O)OCC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)cc(Cl)c1OC ZINC000009783020 569567773 /nfs/dbraw/zinc/56/77/73/569567773.db2.gz DBSAWMYMBOIXRE-UHFFFAOYSA-N 0 0 435.820 2.599 50 0 IFAARN O=C1N[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)Nc2ccccc21 ZINC000009783746 569567871 /nfs/dbraw/zinc/56/78/71/569567871.db2.gz KNPPMGMDFNQLDH-OAQYLSRUSA-N 0 0 439.493 2.822 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000009788474 569567961 /nfs/dbraw/zinc/56/79/61/569567961.db2.gz QIJXONADWSDPMH-UHFFFAOYSA-N 0 0 427.469 2.925 50 0 IFAARN COc1ccccc1-n1nnnc1SCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009793048 569568316 /nfs/dbraw/zinc/56/83/16/569568316.db2.gz XWJMKISENWRPRZ-UHFFFAOYSA-N 0 0 442.892 2.636 50 0 IFAARN CC(C)[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccc2c(c1)OCCO2 ZINC000009793388 569568321 /nfs/dbraw/zinc/56/83/21/569568321.db2.gz YCJVDJOMWYUMRJ-NRFANRHFSA-N 0 0 447.557 2.905 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1S(=O)(=O)N(C)C ZINC000009799716 569568632 /nfs/dbraw/zinc/56/86/32/569568632.db2.gz IGCPIFQMLWAAQL-UHFFFAOYSA-N 0 0 433.349 2.809 50 0 IFAARN CCn1c2ccccc2c2nnc(SCC(=O)N[C@H](Cc3ccccc3)C(=O)OC)nc21 ZINC000009805756 569568803 /nfs/dbraw/zinc/56/88/03/569568803.db2.gz IEZQCGYQPINWLW-QGZVFWFLSA-N 0 0 449.536 2.992 50 0 IFAARN Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000009806317 569568890 /nfs/dbraw/zinc/56/88/90/569568890.db2.gz ASLLBPMGZCGWDM-FQEVSTJZSA-N 0 0 443.569 2.828 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000009807124 569568961 /nfs/dbraw/zinc/56/89/61/569568961.db2.gz PWZXFSFVKNLJNL-SFHVURJKSA-N 0 0 449.960 2.865 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(C)c2C)c1 ZINC000009807395 569568975 /nfs/dbraw/zinc/56/89/75/569568975.db2.gz HTLZNPMWVQLQAJ-IBGZPJMESA-N 0 0 443.569 2.828 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c(C)c1 ZINC000009807459 569568983 /nfs/dbraw/zinc/56/89/83/569568983.db2.gz YSRSMWNRJUQSPE-LJQANCHMSA-N 0 0 443.569 2.828 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2c(C)cccc2C)c1 ZINC000009807404 569569010 /nfs/dbraw/zinc/56/90/10/569569010.db2.gz MASMUSLFKDDMQQ-IBGZPJMESA-N 0 0 443.569 2.828 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2ccn(-c3cccc4ccccc43)c(=O)c2=O)c1 ZINC000009808671 569569029 /nfs/dbraw/zinc/56/90/29/569569029.db2.gz HCVPHYJWXFXPQE-UHFFFAOYSA-N 0 0 431.448 2.808 50 0 IFAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000009819147 569569334 /nfs/dbraw/zinc/56/93/34/569569334.db2.gz CRQDCPAWQRHHGW-NSHDSACASA-N 0 0 446.872 2.560 50 0 IFAARN COc1ccc(-c2cnc(S(=O)(=O)CC(=O)NCc3ccccc3Cl)n2C)cc1 ZINC000009828780 569569928 /nfs/dbraw/zinc/56/99/28/569569928.db2.gz OSHKTZJOAOGHRJ-UHFFFAOYSA-N 0 0 433.917 2.839 50 0 IFAARN COCCn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(Oc3ccccc3)cc2)n(C)c1=O ZINC000009829424 569570085 /nfs/dbraw/zinc/57/00/85/569570085.db2.gz RSKIKVCGZHHGHY-UHFFFAOYSA-N 0 0 445.479 2.886 50 0 IFAARN COCCCn1c(C)cn2c1nc1c2c(=O)n(Cc2cccc3ccccc32)c(=O)n1C ZINC000009829532 569570131 /nfs/dbraw/zinc/57/01/31/569570131.db2.gz RMEONAVNHONWBL-UHFFFAOYSA-N 0 0 431.496 2.696 50 0 IFAARN CCOCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2cc(Cl)ccc2C)n(C)c1=O ZINC000009829507 569570133 /nfs/dbraw/zinc/57/01/33/569570133.db2.gz URSCNGACMRJMQW-UHFFFAOYSA-N 0 0 429.908 2.754 50 0 IFAARN CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1cccs1)C(=O)[C@H]1CCC(=O)N1 ZINC000009834935 569570617 /nfs/dbraw/zinc/57/06/17/569570617.db2.gz YMQYSCLTUDYIPI-CTNGQTDRSA-N 0 0 443.569 2.639 50 0 IFAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(Cl)c2N)c(=O)n(-c2ccccc2)n1C ZINC000009836256 569570749 /nfs/dbraw/zinc/57/07/49/569570749.db2.gz LYQAWXLCVRTTQT-ZDUSSCGKSA-N 0 0 428.876 2.904 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C)ccc3OC)n2)cc1 ZINC000009844745 569570941 /nfs/dbraw/zinc/57/09/41/569570941.db2.gz OMHWSSDYVOWUDF-UHFFFAOYSA-N 0 0 443.525 2.605 50 0 IFAARN O=C(Nc1ccccc1N1CCCC1=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000009846762 569571065 /nfs/dbraw/zinc/57/10/65/569571065.db2.gz AJKZQUIWYBLHGZ-INIZCTEOSA-N 0 0 445.516 2.992 50 0 IFAARN Cc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccc(Br)cc2)c3=O)cc1 ZINC000009857569 569571688 /nfs/dbraw/zinc/57/16/88/569571688.db2.gz ZYUHHXXBJISQPN-UHFFFAOYSA-N 0 0 439.273 2.687 50 0 IFAARN COc1cc(NC(=O)c2cccc(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc(OC)c1 ZINC000009860339 569571836 /nfs/dbraw/zinc/57/18/36/569571836.db2.gz QKCNHAZIYLQCIH-MSOLQXFVSA-N 0 0 447.538 2.636 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1 ZINC000009860668 569571859 /nfs/dbraw/zinc/57/18/59/569571859.db2.gz AYJMRYLQXJQVBC-RBUKOAKNSA-N 0 0 429.567 2.914 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1 ZINC000009860665 569571865 /nfs/dbraw/zinc/57/18/65/569571865.db2.gz AYJMRYLQXJQVBC-MOPGFXCFSA-N 0 0 429.567 2.914 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)c1cc2ccccc2o1 ZINC000009866471 569572235 /nfs/dbraw/zinc/57/22/35/569572235.db2.gz VPBKJZOIPUCKAE-ZAMGYDSWSA-N 0 0 435.436 2.806 50 0 IFAARN Cc1c(NC(=O)c2cccc(NC(=O)c3cnn(C)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000009875332 569572607 /nfs/dbraw/zinc/57/26/07/569572607.db2.gz GRLFZVKKXDMYTK-UHFFFAOYSA-N 0 0 430.468 2.723 50 0 IFAARN COc1cccc(Cn2c(NCc3ccc(Cl)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000009886113 569572935 /nfs/dbraw/zinc/57/29/35/569572935.db2.gz WFYSVNLWDLFZJO-UHFFFAOYSA-N 0 0 439.903 2.756 50 0 IFAARN C[C@@H](NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000009913478 569573356 /nfs/dbraw/zinc/57/33/56/569573356.db2.gz LFFHNCGRGHIJDZ-MRXNPFEDSA-N 0 0 437.521 2.608 50 0 IFAARN Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCc2nc3ccccc3n2C)cc1 ZINC000009914653 569573393 /nfs/dbraw/zinc/57/33/93/569573393.db2.gz HSGKSBMAXKEZSM-UHFFFAOYSA-N 0 0 434.525 2.968 50 0 IFAARN C[C@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009951561 569574480 /nfs/dbraw/zinc/57/44/80/569574480.db2.gz YJYWURYYWCRXTG-JTQLQIEISA-N 0 0 437.934 2.892 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)c1 ZINC000071327344 569575289 /nfs/dbraw/zinc/57/52/89/569575289.db2.gz IEDAPRQRQNPWGM-UHFFFAOYSA-N 0 0 443.410 2.932 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000009962228 569575639 /nfs/dbraw/zinc/57/56/39/569575639.db2.gz NVHMMCBKACGUKY-AWEZNQCLSA-N 0 0 439.493 2.720 50 0 IFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O ZINC000009963395 569575786 /nfs/dbraw/zinc/57/57/86/569575786.db2.gz BDJHNADIISPXIW-JOCHJYFZSA-N 0 0 427.432 2.783 50 0 IFAARN COc1ccc(OCCSc2nc(C)nc3c2c(=O)n(C)c(=O)n3CC(C)C)cc1 ZINC000009964722 569575936 /nfs/dbraw/zinc/57/59/36/569575936.db2.gz XFEGLBHUVFIRLJ-UHFFFAOYSA-N 0 0 430.530 2.634 50 0 IFAARN Cc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)Cn3nnnc3N)CCCCC2)cc1 ZINC000009971422 569576277 /nfs/dbraw/zinc/57/62/77/569576277.db2.gz ZMXNQCHVWXBZJF-UHFFFAOYSA-N 0 0 437.504 2.527 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1C ZINC000009974559 569576425 /nfs/dbraw/zinc/57/64/25/569576425.db2.gz HZFJYNNMQFUQOJ-MRXNPFEDSA-N 0 0 446.525 2.814 50 0 IFAARN CCc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(OC)cc2)cc1 ZINC000009975118 569576426 /nfs/dbraw/zinc/57/64/26/569576426.db2.gz AQYMTXFJRXPNCV-UHFFFAOYSA-N 0 0 429.480 2.914 50 0 IFAARN O=C(/C=C/c1ccccc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000009987866 569576819 /nfs/dbraw/zinc/57/68/19/569576819.db2.gz QDRLOFVJHPJZTR-FNORWQNLSA-N 0 0 426.947 2.752 50 0 IFAARN O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000010032387 569577302 /nfs/dbraw/zinc/57/73/02/569577302.db2.gz KYSZSYJSFXHDNR-UHFFFAOYSA-N 0 0 447.557 2.509 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000010032396 569577306 /nfs/dbraw/zinc/57/73/06/569577306.db2.gz VJWCLNCIZKGPQW-UPCLLVRISA-N 0 0 437.544 2.665 50 0 IFAARN O=C(CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(Cl)cc1 ZINC000010031077 569577323 /nfs/dbraw/zinc/57/73/23/569577323.db2.gz TUOHVEUOMISNOZ-UHFFFAOYSA-N 0 0 427.885 2.551 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1-c1ccccc1OCCc1ccccc1 ZINC000010102932 569577820 /nfs/dbraw/zinc/57/78/20/569577820.db2.gz KEUNZSSSKGREJT-UHFFFAOYSA-N 0 0 429.480 2.606 50 0 IFAARN Nc1nccnc1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000010141792 569578124 /nfs/dbraw/zinc/57/81/24/569578124.db2.gz YFUCXIBJCRZMSK-OAHLLOKOSA-N 0 0 425.832 2.840 50 0 IFAARN Nc1nccnc1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000010141789 569578132 /nfs/dbraw/zinc/57/81/32/569578132.db2.gz YFUCXIBJCRZMSK-HNNXBMFYSA-N 0 0 425.832 2.840 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000010166419 569578219 /nfs/dbraw/zinc/57/82/19/569578219.db2.gz CKMZUIGOPDXSRN-JTQLQIEISA-N 0 0 430.288 2.974 50 0 IFAARN COc1ccc(C)c2sc(N3CCN(C(=O)CS(=O)(=O)c4ccccc4)CC3)nc21 ZINC000010166344 569578233 /nfs/dbraw/zinc/57/82/33/569578233.db2.gz HEJNJKGUQMZPQQ-UHFFFAOYSA-N 0 0 445.566 2.736 50 0 IFAARN O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)NCc1ccc2c(c1)OCO2 ZINC000010166378 569578256 /nfs/dbraw/zinc/57/82/56/569578256.db2.gz UTWRLSDTQKKTNU-UHFFFAOYSA-N 0 0 448.475 2.622 50 0 IFAARN COc1cccc(CNC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)c1 ZINC000010186685 569578431 /nfs/dbraw/zinc/57/84/31/569578431.db2.gz LFKOEZBHHQDKHF-UHFFFAOYSA-N 0 0 436.537 2.592 50 0 IFAARN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1 ZINC000010201782 569578974 /nfs/dbraw/zinc/57/89/74/569578974.db2.gz FAQGQJMQBKNYBA-WOJBJXKFSA-N 0 0 427.501 2.994 50 0 IFAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCC2=CCCCC2)CS(=O)(=O)C3)cc1 ZINC000010250482 569579802 /nfs/dbraw/zinc/57/98/02/569579802.db2.gz WZAWPAUPKSZSBL-UHFFFAOYSA-N 0 0 442.541 2.554 50 0 IFAARN COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(Cc2ccc(C)cc2)c(=O)n1C ZINC000010272345 569580178 /nfs/dbraw/zinc/58/01/78/569580178.db2.gz XIFAYCFTDXEHMV-UHFFFAOYSA-N 0 0 431.496 2.722 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)s2)NC(=O)N[C@@H]1c1ccccc1 ZINC000010273520 569580284 /nfs/dbraw/zinc/58/02/84/569580284.db2.gz HCLBLZWEXYRKSY-OAHLLOKOSA-N 0 0 426.903 2.656 50 0 IFAARN CCOc1ccc([C@@H]2NC(=O)NC(CS(=O)(=O)c3ccc(C)cc3)=C2C(=O)OC)cc1 ZINC000010273548 569580300 /nfs/dbraw/zinc/58/03/00/569580300.db2.gz LBZIYHOHPCIKBB-FQEVSTJZSA-N 0 0 444.509 2.649 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(Cl)c2)NC(=O)N[C@@H]1c1ccccc1 ZINC000010273526 569580301 /nfs/dbraw/zinc/58/03/01/569580301.db2.gz SODVVQQNPFAFLK-QGZVFWFLSA-N 0 0 438.864 2.734 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000010288518 569580527 /nfs/dbraw/zinc/58/05/27/569580527.db2.gz SIALJSNZEZMMRO-UHFFFAOYSA-N 0 0 449.381 2.997 50 0 IFAARN CCc1noc(-c2cccnc2-n2cnc(C(=O)NCCc3ccc(OC)c(OC)c3)c2)n1 ZINC000071768574 569580738 /nfs/dbraw/zinc/58/07/38/569580738.db2.gz ABXUSNCGRXRVQR-UHFFFAOYSA-N 0 0 448.483 2.869 50 0 IFAARN CCc1noc(-c2ccnc(-n3cnc(C(=O)NCCc4ccc(OC)c(OC)c4)c3)c2)n1 ZINC000071768537 569580747 /nfs/dbraw/zinc/58/07/47/569580747.db2.gz PSRZTPYTYYDZKR-UHFFFAOYSA-N 0 0 448.483 2.869 50 0 IFAARN COc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccccc4C)CC3)nc2N)cc1 ZINC000071772095 569580886 /nfs/dbraw/zinc/58/08/86/569580886.db2.gz CIXGVYZTWWAMND-UHFFFAOYSA-N 0 0 439.541 2.535 50 0 IFAARN COC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000010337452 569581262 /nfs/dbraw/zinc/58/12/62/569581262.db2.gz SIPQBQSPXTZCNS-UHFFFAOYSA-N 0 0 426.491 2.713 50 0 IFAARN O=C(COC(=O)c1cc2ccccc2c(=O)[nH]1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010347886 569581351 /nfs/dbraw/zinc/58/13/51/569581351.db2.gz ZEEAPUDJZZWWDO-UHFFFAOYSA-N 0 0 433.464 2.562 50 0 IFAARN O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000010375869 569581525 /nfs/dbraw/zinc/58/15/25/569581525.db2.gz NWRYCOWPQJTIIN-UHFFFAOYSA-N 0 0 438.553 2.774 50 0 IFAARN O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccccc1N1CCCC1=O ZINC000010378197 569581601 /nfs/dbraw/zinc/58/16/01/569581601.db2.gz JKQQLCWLLIFAET-UHFFFAOYSA-N 0 0 437.525 2.672 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cccnc2OCC)NC(=O)N[C@@H]1c1cccs1 ZINC000010391777 569581852 /nfs/dbraw/zinc/58/18/52/569581852.db2.gz OOQCMDQGHNTYGM-MRXNPFEDSA-N 0 0 431.470 2.570 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1)N1CCCCC1 ZINC000071817342 569581942 /nfs/dbraw/zinc/58/19/42/569581942.db2.gz NOEMOCDWQOKTSO-UHFFFAOYSA-N 0 0 427.570 2.672 50 0 IFAARN CCN(CC(=O)Nc1cccc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010430641 569582050 /nfs/dbraw/zinc/58/20/50/569582050.db2.gz ZQTWFJOCBGUABR-UHFFFAOYSA-N 0 0 443.507 2.785 50 0 IFAARN C[C@H](NC(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1)c1ccc2c(c1)OCCO2 ZINC000071835129 569582188 /nfs/dbraw/zinc/58/21/88/569582188.db2.gz TWIMERKDCUROMU-RYGJVYDSSA-N 0 0 447.491 2.909 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)c1 ZINC000010442708 569582226 /nfs/dbraw/zinc/58/22/26/569582226.db2.gz XAWQGHAGLXCGPS-UHFFFAOYSA-N 0 0 449.573 2.850 50 0 IFAARN O=C(Nc1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1)C1CCC1 ZINC000071850215 569582428 /nfs/dbraw/zinc/58/24/28/569582428.db2.gz ARUSRADCFSLZQD-GOSISDBHSA-N 0 0 447.582 2.956 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1 ZINC000010465819 569582459 /nfs/dbraw/zinc/58/24/59/569582459.db2.gz LOWOFESQPCKINU-UHFFFAOYSA-N 0 0 443.525 2.965 50 0 IFAARN O=C(NCC1CCN(C(=O)c2ccoc2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000077099761 569585243 /nfs/dbraw/zinc/58/52/43/569585243.db2.gz ZLFSWBMLZJTWHI-UHFFFAOYSA-N 0 0 439.390 2.785 50 0 IFAARN COc1cc(CNC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC ZINC000077100406 569585404 /nfs/dbraw/zinc/58/54/04/569585404.db2.gz ONQKLFGMNIWRHK-UHFFFAOYSA-N 0 0 437.378 2.637 50 0 IFAARN Cn1nc(N2CCC[C@H](C(=O)Nc3c(-c4ccccc4)nc4ccccn43)C2)ccc1=O ZINC000077100981 569585456 /nfs/dbraw/zinc/58/54/56/569585456.db2.gz HVUHVZMYBSXNII-SFHVURJKSA-N 0 0 428.496 2.950 50 0 IFAARN O=C(OC1CN(c2nc3ccccc3s2)C1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000077101009 569585529 /nfs/dbraw/zinc/58/55/29/569585529.db2.gz BVKLBLJPAGKRQH-HNNXBMFYSA-N 0 0 449.579 2.943 50 0 IFAARN CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCC[C@@H](O)c3cccs3)cc21 ZINC000077115806 569585632 /nfs/dbraw/zinc/58/56/32/569585632.db2.gz SEDFECGFDBLVJE-GOSISDBHSA-N 0 0 429.542 2.862 50 0 IFAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 ZINC000077192014 569586050 /nfs/dbraw/zinc/58/60/50/569586050.db2.gz AJNOAIKVQPRDJW-SFHVURJKSA-N 0 0 437.525 2.860 50 0 IFAARN O=C(Nc1nc2c(s1)CN(C(=O)C1(c3ccccc3)CCOCC1)CC2)c1cnccn1 ZINC000077196269 569586054 /nfs/dbraw/zinc/58/60/54/569586054.db2.gz UMFSYSSMDZFXCI-UHFFFAOYSA-N 0 0 449.536 2.819 50 0 IFAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2nc(NC(=O)[C@H]3CCCO3)sc2C1 ZINC000077192016 569586059 /nfs/dbraw/zinc/58/60/59/569586059.db2.gz AJNOAIKVQPRDJW-GOSISDBHSA-N 0 0 437.525 2.860 50 0 IFAARN O=C(Nc1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)co1)c1ccsc1 ZINC000077196529 569586122 /nfs/dbraw/zinc/58/61/22/569586122.db2.gz FBKYCUGTTUAVOT-UHFFFAOYSA-N 0 0 440.481 2.675 50 0 IFAARN COc1ccccc1[C@@H](O)Cn1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)nn1 ZINC000077197242 569586180 /nfs/dbraw/zinc/58/61/80/569586180.db2.gz GDAZTEBUXMDOAE-QFIPXVFZSA-N 0 0 435.528 2.600 50 0 IFAARN CN(Cc1ccccc1)C(=O)CSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[nH]n21 ZINC000021911163 569587163 /nfs/dbraw/zinc/58/71/63/569587163.db2.gz HZJFHQSLWUGUBQ-UHFFFAOYSA-N 0 0 449.492 2.564 50 0 IFAARN CCCS(=O)(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(CC)cc2)CC1 ZINC000033139353 569587366 /nfs/dbraw/zinc/58/73/66/569587366.db2.gz RHFSWYKERHRRLU-UHFFFAOYSA-N 0 0 427.574 2.840 50 0 IFAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c2)no1 ZINC000033276137 569587411 /nfs/dbraw/zinc/58/74/11/569587411.db2.gz QKFSAUPMGMXYFB-UHFFFAOYSA-N 0 0 434.905 2.602 50 0 IFAARN Cc1nn(-c2ccc(-c3ccc(C)cc3)nn2)c(C)c1S(=O)(=O)NC[C@H]1CCCO1 ZINC000033308133 569587481 /nfs/dbraw/zinc/58/74/81/569587481.db2.gz SMVMWSPLTLYCFC-GOSISDBHSA-N 0 0 427.530 2.712 50 0 IFAARN CCc1ccc(NC(=O)Cn2c(Nc3ccc(CC)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000637894 193866499 /nfs/dbraw/zinc/86/64/99/193866499.db2.gz DPVISQURVDZMKV-UHFFFAOYSA-N 0 0 446.511 2.930 50 0 IFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000000645101 193869667 /nfs/dbraw/zinc/86/96/67/193869667.db2.gz NHXFLZFZPNHKPP-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000000656217 193874576 /nfs/dbraw/zinc/87/45/76/193874576.db2.gz ZJFBICTVYRZQIB-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN COC(=O)CCC(=O)N(CCN(C(=O)CCC(=O)OC)c1ccccc1)c1ccccc1 ZINC000006143135 193882817 /nfs/dbraw/zinc/88/28/17/193882817.db2.gz WDOHSMCOHNNXAW-UHFFFAOYSA-N 0 0 440.496 2.959 50 0 IFAARN Cc1cc(C(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)n1C[C@@H]1CCCO1 ZINC000006156109 193886177 /nfs/dbraw/zinc/88/61/77/193886177.db2.gz FATODYWLQRIVST-SFHVURJKSA-N 0 0 434.514 2.695 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CNS(=O)(=O)c3ccccc3)cc2)C1 ZINC000009833464 193900342 /nfs/dbraw/zinc/90/03/42/193900342.db2.gz SPSPXBPSIGQTNU-LJQANCHMSA-N 0 0 430.526 2.580 50 0 IFAARN COc1cccc(-n2c3nc(-c4c(F)cccc4Cl)nc(C(N)=O)c3n(C)c2=O)c1 ZINC000009835406 193901899 /nfs/dbraw/zinc/90/18/99/193901899.db2.gz YPNYFUSITWICMU-UHFFFAOYSA-N 0 0 427.823 2.686 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(Cl)c2N)c(=O)n(-c2ccccc2)n1C ZINC000009836255 193902469 /nfs/dbraw/zinc/90/24/69/193902469.db2.gz LYQAWXLCVRTTQT-CYBMUJFWSA-N 0 0 428.876 2.904 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(F)c(C)c3)n2)cc1 ZINC000009844851 193904112 /nfs/dbraw/zinc/90/41/12/193904112.db2.gz VAEOIMJHGJYJNH-UHFFFAOYSA-N 0 0 431.489 2.735 50 0 IFAARN CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 ZINC000053537255 193928886 /nfs/dbraw/zinc/92/88/86/193928886.db2.gz VHSYKTWXCYMHSE-LJQANCHMSA-N 0 0 443.910 2.705 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3n[nH]c4c3CCCCC4)CC2)c(OC)c1OC ZINC000096231985 193938993 /nfs/dbraw/zinc/93/89/93/193938993.db2.gz QKDSLOXRIYDBPJ-UHFFFAOYSA-N 0 0 428.533 2.662 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 ZINC000000686827 132229230 /nfs/dbraw/zinc/22/92/30/132229230.db2.gz YBKVQRKWBDAGAY-UHFFFAOYSA-N 0 0 433.549 2.720 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000854328 132231702 /nfs/dbraw/zinc/23/17/02/132231702.db2.gz JYWLFTULLFWSDT-UHFFFAOYSA-N 0 0 429.542 2.950 50 0 IFAARN CC(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Br)cc2)n(C)c1=O ZINC000009519001 132232653 /nfs/dbraw/zinc/23/26/53/132232653.db2.gz PGIROUXUELIAAL-UHFFFAOYSA-N 0 0 432.322 2.857 50 0 IFAARN COc1ccc([C@@H]2[C@@H](C(=O)O[C@@H](C)C(N)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000009538539 132233408 /nfs/dbraw/zinc/23/34/08/132233408.db2.gz JXUJEYSAOSCDJG-LZFQIVBZSA-N 0 0 440.496 2.914 50 0 IFAARN CCOc1ccc(N([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000000912557 132233952 /nfs/dbraw/zinc/23/39/52/132233952.db2.gz WUBQFPWUUSLDSO-GOSISDBHSA-N 0 0 431.558 2.589 50 0 IFAARN Cc1cc(Cl)ccc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000000916500 132233969 /nfs/dbraw/zinc/23/39/69/132233969.db2.gz HQNZVKMFUDCRTO-UHFFFAOYSA-N 0 0 439.940 2.902 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1Cl ZINC000000916477 132233986 /nfs/dbraw/zinc/23/39/86/132233986.db2.gz DERGMZQSJFCBNP-UHFFFAOYSA-N 0 0 425.913 2.594 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000009570218 132235823 /nfs/dbraw/zinc/23/58/23/132235823.db2.gz XIPHUZZVGWAPIF-UHFFFAOYSA-N 0 0 441.475 2.587 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 ZINC000001150035 132237462 /nfs/dbraw/zinc/23/74/62/132237462.db2.gz BNCUCBZRKKIIGG-UHFFFAOYSA-N 0 0 425.913 2.594 50 0 IFAARN O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)N1CCN(c2ccccc2)CC1 ZINC000009829665 132241694 /nfs/dbraw/zinc/24/16/94/132241694.db2.gz MBBONFDKAFLFNZ-UHFFFAOYSA-N 0 0 448.914 2.584 50 0 IFAARN COc1cccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000009850821 132242077 /nfs/dbraw/zinc/24/20/77/132242077.db2.gz RHEKCLIQOJAEPJ-UHFFFAOYSA-N 0 0 449.902 2.835 50 0 IFAARN O=C(/C=C\c1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000010256360 132244102 /nfs/dbraw/zinc/24/41/02/132244102.db2.gz NWUDKYDFBOZUGA-WDZFZDKYSA-N 0 0 429.459 2.712 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000002497557 132254860 /nfs/dbraw/zinc/25/48/60/132254860.db2.gz MQHZMMQJMHOWIX-UHFFFAOYSA-N 0 0 431.533 2.575 50 0 IFAARN Cc1cc(C)cc(N([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 ZINC000002890133 132258380 /nfs/dbraw/zinc/25/83/80/132258380.db2.gz QJSCRYQJBUXXDI-GOSISDBHSA-N 0 0 433.549 2.946 50 0 IFAARN CCOC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccccc1 ZINC000002971562 132259974 /nfs/dbraw/zinc/25/99/74/132259974.db2.gz WUSGLHPQYXIUHS-UHFFFAOYSA-N 0 0 439.537 2.937 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000003334281 132264120 /nfs/dbraw/zinc/26/41/20/132264120.db2.gz RPANQRHPEOXVMS-UHFFFAOYSA-N 0 0 447.532 2.702 50 0 IFAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000003534274 132265956 /nfs/dbraw/zinc/26/59/56/132265956.db2.gz CFKXLFQJDPRJOI-XMMPIXPASA-N 0 0 432.480 2.534 50 0 IFAARN O=C(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000003560305 132266230 /nfs/dbraw/zinc/26/62/30/132266230.db2.gz KJLKWTCJWULARB-UHFFFAOYSA-N 0 0 442.475 2.967 50 0 IFAARN COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000003665894 132267516 /nfs/dbraw/zinc/26/75/16/132267516.db2.gz JATGXQNRXIMVFM-DEOSSOPVSA-N 0 0 447.447 2.938 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)N1CCCc2ccccc21 ZINC000004035021 132268899 /nfs/dbraw/zinc/26/88/99/132268899.db2.gz HHZSFXWTLZAKOK-UHFFFAOYSA-N 0 0 434.887 2.669 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1OCC ZINC000004583201 132272295 /nfs/dbraw/zinc/27/22/95/132272295.db2.gz BJSFGVUEPVFFHJ-UHFFFAOYSA-N 0 0 425.533 2.837 50 0 IFAARN CCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(C)=O)CC2)c1 ZINC000004710855 132272720 /nfs/dbraw/zinc/27/27/20/132272720.db2.gz UVGKCDPZVFVOJW-UHFFFAOYSA-N 0 0 425.485 2.793 50 0 IFAARN O=C(c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O)N1CCN(c2ccccc2)CC1 ZINC000004767611 132273776 /nfs/dbraw/zinc/27/37/76/132273776.db2.gz FPZWDNOOJIVFFC-UHFFFAOYSA-N 0 0 426.476 2.641 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)C3(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1 ZINC000004789789 132274189 /nfs/dbraw/zinc/27/41/89/132274189.db2.gz KNQAPEPDEDCQSK-UHFFFAOYSA-N 0 0 426.538 2.853 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000006161635 132276285 /nfs/dbraw/zinc/27/62/85/132276285.db2.gz DJAZBQMPUFUZRN-UHFFFAOYSA-N 0 0 433.549 2.810 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3c4ccccc4CC[C@@H]3C)CC2)cc1 ZINC000006822441 132279432 /nfs/dbraw/zinc/27/94/32/132279432.db2.gz RZQKCGZETFWKJM-IBGZPJMESA-N 0 0 427.570 2.669 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2N1C(=O)C1CC1 ZINC000006866506 132279819 /nfs/dbraw/zinc/27/98/19/132279819.db2.gz KOVRJJLJYOUINC-KRWDZBQOSA-N 0 0 425.554 2.885 50 0 IFAARN C[C@H]1CCc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000007217595 132280422 /nfs/dbraw/zinc/28/04/22/132280422.db2.gz MNFSPGVFEGUZKI-IBGZPJMESA-N 0 0 427.570 2.502 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2OC)no1 ZINC000008587223 132282837 /nfs/dbraw/zinc/28/28/37/132282837.db2.gz GAPCIGUKXHUMTD-UHFFFAOYSA-N 0 0 446.504 2.958 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1-c1noc(C)n1 ZINC000008587191 132282840 /nfs/dbraw/zinc/28/28/40/132282840.db2.gz VLQQHBSOQXDNSY-UHFFFAOYSA-N 0 0 444.513 2.573 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2OC)no1 ZINC000008587228 132282853 /nfs/dbraw/zinc/28/28/53/132282853.db2.gz BBMABVOIUDIBLH-UHFFFAOYSA-N 0 0 446.504 2.958 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2)[C@](C)(C(=O)NC2CCCCCC2)C1 ZINC000008590878 132283858 /nfs/dbraw/zinc/28/38/58/132283858.db2.gz KZQBHVQKISSRBM-QHCPKHFHSA-N 0 0 449.617 2.981 50 0 IFAARN Cc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)c[nH]3)CC2)c(C)c1 ZINC000008590767 132283862 /nfs/dbraw/zinc/28/38/62/132283862.db2.gz IVTUJKDSFHZDDT-UHFFFAOYSA-N 0 0 430.574 2.769 50 0 IFAARN Cn1c2cc(NC(=O)c3ccccc3Br)c(N3CCOCC3)cc2n(C)c1=O ZINC000008594285 132284442 /nfs/dbraw/zinc/28/44/42/132284442.db2.gz WEASFTLVWALIJU-UHFFFAOYSA-N 0 0 445.317 2.728 50 0 IFAARN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000008596132 132284757 /nfs/dbraw/zinc/28/47/57/132284757.db2.gz JFDOASLAEZASBN-UHFFFAOYSA-N 0 0 435.528 2.947 50 0 IFAARN COc1ccc(CCNC(=O)c2c(C)oc3nc(C)nc(N4CCOCC4)c32)cc1OC ZINC000008596825 132285279 /nfs/dbraw/zinc/28/52/79/132285279.db2.gz LXPLOTWVPIUGRW-UHFFFAOYSA-N 0 0 440.500 2.666 50 0 IFAARN O=c1cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)n1-c1ccc(Br)cc1 ZINC000008601167 132286591 /nfs/dbraw/zinc/28/65/91/132286591.db2.gz AARDZJCSDCZMPW-UHFFFAOYSA-N 0 0 445.292 2.754 50 0 IFAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)NCc1ccc(C)cc1 ZINC000008605694 132287275 /nfs/dbraw/zinc/28/72/75/132287275.db2.gz CCOJJVOKULAYTJ-UHFFFAOYSA-N 0 0 434.544 2.673 50 0 IFAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)NCc1ccccc1F ZINC000008605746 132287432 /nfs/dbraw/zinc/28/74/32/132287432.db2.gz STSSRYXWBPCOSR-UHFFFAOYSA-N 0 0 438.507 2.504 50 0 IFAARN Cn1cc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000008610099 132288031 /nfs/dbraw/zinc/28/80/31/132288031.db2.gz PKXPXQMGZWAWAJ-UHFFFAOYSA-N 0 0 448.564 2.691 50 0 IFAARN C[C@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)C(=O)NC1CCCC1 ZINC000008720352 132291865 /nfs/dbraw/zinc/29/18/65/132291865.db2.gz OMRJVGLXHFFXFW-AWEZNQCLSA-N 0 0 433.530 2.772 50 0 IFAARN Cc1sc2nc(CN3CCOCC3)nc(N3CCN(Cc4ccncc4)CC3)c2c1C ZINC000008728571 132292296 /nfs/dbraw/zinc/29/22/96/132292296.db2.gz RYPOULMHQQCFCZ-UHFFFAOYSA-N 0 0 438.601 2.858 50 0 IFAARN CC(C)c1ccc(NC(=O)[C@@H]2C=C([O-])NC(N3CCN(c4ccccc4F)CC3)=[NH+]2)cc1 ZINC000008777035 132294100 /nfs/dbraw/zinc/29/41/00/132294100.db2.gz LAEZTGDWWXJDTA-FQEVSTJZSA-N 0 0 437.519 2.954 50 0 IFAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccccc1N1CCCCC1 ZINC000008860859 132296638 /nfs/dbraw/zinc/29/66/38/132296638.db2.gz REXZZNRDRRFJNH-KRWDZBQOSA-N 0 0 440.569 2.763 50 0 IFAARN Cc1cccc2nc(C(=O)N3CCN(c4cnn(-c5ccccc5)c(=O)c4Cl)CC3)cn21 ZINC000008965472 132298678 /nfs/dbraw/zinc/29/86/78/132298678.db2.gz MAMPQZVSPBEGFZ-UHFFFAOYSA-N 0 0 448.914 2.804 50 0 IFAARN CC(=O)Nc1ccc2c(c1)C[C@]1(C(=O)NC(=O)N(C(C)(C)C)C1=O)[C@H]1CCCCCN21 ZINC000008971339 132299140 /nfs/dbraw/zinc/29/91/40/132299140.db2.gz LYSINHHYCTYTIN-WZONZLPQSA-N 0 0 426.517 2.813 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000009120388 132304733 /nfs/dbraw/zinc/30/47/33/132304733.db2.gz DPHGFQHGNNFUCS-UHFFFAOYSA-N 0 0 431.533 2.575 50 0 IFAARN Cc1ccc(NC(=O)CN2CCSc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000009130996 132306210 /nfs/dbraw/zinc/30/62/10/132306210.db2.gz BYEJRWKJCMLZKU-UHFFFAOYSA-N 0 0 447.582 2.567 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009153025 132307020 /nfs/dbraw/zinc/30/70/20/132307020.db2.gz AERZSVZREAWFCD-QGZVFWFLSA-N 0 0 448.527 2.814 50 0 IFAARN CSc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 ZINC000009226330 132309922 /nfs/dbraw/zinc/30/99/22/132309922.db2.gz NTYACTMCHDUHJN-UHFFFAOYSA-N 0 0 445.566 2.795 50 0 IFAARN Cc1csc(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)n1 ZINC000009273679 132312094 /nfs/dbraw/zinc/31/20/94/132312094.db2.gz STJAVCFSBPLMCP-UHFFFAOYSA-N 0 0 443.558 2.948 50 0 IFAARN COc1cccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2)c4=O)c1 ZINC000009282442 132312277 /nfs/dbraw/zinc/31/22/77/132312277.db2.gz QTTSRTISGILDIZ-MRXNPFEDSA-N 0 0 431.496 2.741 50 0 IFAARN Cc1ccc(NC(=O)[C@H](C)N2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000009283969 132312347 /nfs/dbraw/zinc/31/23/47/132312347.db2.gz KXMICGWONRMBOB-SFHVURJKSA-N 0 0 443.569 2.796 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc32)cc1 ZINC000009430353 132317075 /nfs/dbraw/zinc/31/70/75/132317075.db2.gz HADAVWZZAQGCOW-UHFFFAOYSA-N 0 0 443.525 2.534 50 0 IFAARN Cc1sc2ncn(CC(=O)N3CCN(c4ncccn4)CC3)c(=O)c2c1-c1ccccc1 ZINC000009446693 132317891 /nfs/dbraw/zinc/31/78/91/132317891.db2.gz RLRABBDEKLJHFR-UHFFFAOYSA-N 0 0 446.536 2.572 50 0 IFAARN Cc1csc2nc(C)c(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c(=O)n12 ZINC000009561373 132321476 /nfs/dbraw/zinc/32/14/76/132321476.db2.gz HGCXVFSAYXMCLU-UHFFFAOYSA-N 0 0 432.571 2.501 50 0 IFAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)OCC(=O)N3CCOCC3)[C@H]2c2cccs2)cc1 ZINC000009603563 132323193 /nfs/dbraw/zinc/32/31/93/132323193.db2.gz ULYQMXYALCNEFC-AVRDEDQJSA-N 0 0 442.537 2.943 50 0 IFAARN Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)N3CC(=O)Nc4ccccc43)cc2)n1C ZINC000009614327 132323671 /nfs/dbraw/zinc/32/36/71/132323671.db2.gz HEOHHPHGTCOZAL-UHFFFAOYSA-N 0 0 440.525 2.755 50 0 IFAARN O=C(Nc1ccccc1N1CCOCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009633249 132323927 /nfs/dbraw/zinc/32/39/27/132323927.db2.gz MHLGKQCOEWFWAP-UHFFFAOYSA-N 0 0 429.542 2.950 50 0 IFAARN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCCc2cc(C)ccc21 ZINC000009632990 132323936 /nfs/dbraw/zinc/32/39/36/132323936.db2.gz JBYQTFUZSBKZPA-UHFFFAOYSA-N 0 0 445.541 2.658 50 0 IFAARN CC(=O)N1C[C@H](C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)Oc2ccccc21 ZINC000009642992 132324632 /nfs/dbraw/zinc/32/46/32/132324632.db2.gz AEPBHPXGKPSTKU-LJQANCHMSA-N 0 0 438.509 2.886 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1C(=O)N1CCCC1 ZINC000009684141 132325666 /nfs/dbraw/zinc/32/56/66/132325666.db2.gz BNIGFKAWDVWPGH-UHFFFAOYSA-N 0 0 444.601 2.995 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1C(=O)N1CCCC1 ZINC000009684273 132325820 /nfs/dbraw/zinc/32/58/20/132325820.db2.gz DVUSESJNQQSRFO-UHFFFAOYSA-N 0 0 434.537 2.518 50 0 IFAARN CC(=O)N1C[C@H](C(=O)NCC(=O)Nc2ccc(Br)cc2C)Oc2ccccc21 ZINC000009690986 132325986 /nfs/dbraw/zinc/32/59/86/132325986.db2.gz AOTVWVXGRLCNRD-GOSISDBHSA-N 0 0 446.301 2.626 50 0 IFAARN O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N1CCN(c2ncccn2)CC1 ZINC000009794965 132329168 /nfs/dbraw/zinc/32/91/68/132329168.db2.gz JZLDAYUJZHPNNU-UHFFFAOYSA-N 0 0 434.569 2.982 50 0 IFAARN O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)OCC(=O)N1CCCc2ccccc21 ZINC000010272375 132335263 /nfs/dbraw/zinc/33/52/63/132335263.db2.gz UNTRSZKWFNPUSF-UHFFFAOYSA-N 0 0 441.509 2.892 50 0 IFAARN COc1ccc(CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 ZINC000010511301 132335981 /nfs/dbraw/zinc/33/59/81/132335981.db2.gz DBWLGFMBGMOSHC-UHFFFAOYSA-N 0 0 434.422 2.685 50 0 IFAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000010712659 132336314 /nfs/dbraw/zinc/33/63/14/132336314.db2.gz DDDPOKCJULTMRY-UHFFFAOYSA-N 0 0 448.878 2.685 50 0 IFAARN Cc1cc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)ccc1Br ZINC000010917192 132336803 /nfs/dbraw/zinc/33/68/03/132336803.db2.gz KPLMRZYEISOIHB-UHFFFAOYSA-N 0 0 435.322 2.557 50 0 IFAARN CCCC1(CCC)NC(=O)N(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1=O ZINC000011005763 132336936 /nfs/dbraw/zinc/33/69/36/132336936.db2.gz DOIIGQVFJRRXGR-UHFFFAOYSA-N 0 0 446.523 2.568 50 0 IFAARN CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000011025650 132337125 /nfs/dbraw/zinc/33/71/25/132337125.db2.gz OBZYGYWCJVPESQ-UHFFFAOYSA-N 0 0 440.543 2.607 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4F)n3N)CC2)c1 ZINC000011554229 132338034 /nfs/dbraw/zinc/33/80/34/132338034.db2.gz QTLZXNPNZOVFQY-UHFFFAOYSA-N 0 0 426.521 2.547 50 0 IFAARN CCOc1ncccc1C(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1 ZINC000011695288 132338706 /nfs/dbraw/zinc/33/87/06/132338706.db2.gz QNNFVZWVUDRFPU-UHFFFAOYSA-N 0 0 449.511 2.917 50 0 IFAARN O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1Cl ZINC000011796343 132340216 /nfs/dbraw/zinc/34/02/16/132340216.db2.gz DEVTXJPSWCRDEZ-UHFFFAOYSA-N 0 0 439.940 2.751 50 0 IFAARN CCOc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 ZINC000011796629 132340239 /nfs/dbraw/zinc/34/02/39/132340239.db2.gz VMMIVRBCVUFWDR-UHFFFAOYSA-N 0 0 445.585 2.666 50 0 IFAARN Cc1nc(CC(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cs1 ZINC000011815030 132340501 /nfs/dbraw/zinc/34/05/01/132340501.db2.gz FXZGBRIMTYFTIO-IBGZPJMESA-N 0 0 441.601 2.757 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3cccc(N4C(=O)[C@H](C)CS4(=O)=O)c3)CC2)c1C ZINC000011859434 132340688 /nfs/dbraw/zinc/34/06/88/132340688.db2.gz LWUUVNHHLHDJSU-QGZVFWFLSA-N 0 0 441.553 2.578 50 0 IFAARN Cc1nn(-c2ccc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)nn2)c(C)c1C ZINC000013009038 132342192 /nfs/dbraw/zinc/34/21/92/132342192.db2.gz JSDCJOZYRVWOGV-UHFFFAOYSA-N 0 0 444.495 2.656 50 0 IFAARN Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nn2)c(C)c1C ZINC000013009419 132342310 /nfs/dbraw/zinc/34/23/10/132342310.db2.gz XIOJGBALTHCLAB-UHFFFAOYSA-N 0 0 446.964 2.752 50 0 IFAARN O=C(CCc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000013036882 132342892 /nfs/dbraw/zinc/34/28/92/132342892.db2.gz NHAIPJRJADBQDY-UHFFFAOYSA-N 0 0 431.475 2.631 50 0 IFAARN Cc1ccc(-c2csc3ncn(CC(=O)N4CCN(c5ncccn5)CC4)c(=O)c23)cc1 ZINC000013112437 132344835 /nfs/dbraw/zinc/34/48/35/132344835.db2.gz UNHGAPSYJKCNLT-UHFFFAOYSA-N 0 0 446.536 2.572 50 0 IFAARN Cn1c2cc(NC(=O)c3c(F)cccc3F)c(N3CCCCC3)cc2n(C)c(=O)c1=O ZINC000013364472 132346591 /nfs/dbraw/zinc/34/65/91/132346591.db2.gz KTELLZORTVJHKT-UHFFFAOYSA-N 0 0 428.439 2.758 50 0 IFAARN COc1cccc(N2CCN(C(=O)[C@H](C)Sc3nc(Cl)nc4[nH]cnc43)CC2)c1 ZINC000013570780 132350785 /nfs/dbraw/zinc/35/07/85/132350785.db2.gz DYZGLQAAIHFSEL-LBPRGKRZSA-N 0 0 432.937 2.844 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3nc4sc5c(c4c(=O)n3C)CCCC5)CC2)cc1 ZINC000013690828 132353593 /nfs/dbraw/zinc/35/35/93/132353593.db2.gz YIGCQDTUAOFGSW-UHFFFAOYSA-N 0 0 438.553 2.845 50 0 IFAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCc2ccncc2)cn3C2CC2)CC1 ZINC000013736600 132354356 /nfs/dbraw/zinc/35/43/56/132354356.db2.gz NMYFQDQFGOBJLD-UHFFFAOYSA-N 0 0 449.530 2.942 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccco5)n4n3)CC2)c1 ZINC000013848314 132355063 /nfs/dbraw/zinc/35/50/63/132355063.db2.gz FWEIRCADNXQHLD-UHFFFAOYSA-N 0 0 438.513 2.512 50 0 IFAARN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000014127075 132356168 /nfs/dbraw/zinc/35/61/68/132356168.db2.gz XMTYEEKEJSVTLE-UHFFFAOYSA-N 0 0 435.933 2.969 50 0 IFAARN Cc1ccc(S(=O)(=O)NN=c2ccc(S(=O)(=O)N(C(C)C)C(C)C)c[nH]2)cc1 ZINC000033048507 518189472 /nfs/dbraw/zinc/18/94/72/518189472.db2.gz KPVRSNQUTFLZIW-UHFFFAOYSA-N 0 0 426.564 2.503 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000020281045 518379100 /nfs/dbraw/zinc/37/91/00/518379100.db2.gz WJYUHJPZKVBRRB-MRXNPFEDSA-N 0 0 430.511 2.686 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000012575405 518399930 /nfs/dbraw/zinc/39/99/30/518399930.db2.gz WSKSRALUXNUUTL-NRFANRHFSA-N 0 0 442.541 2.900 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000012882020 518404327 /nfs/dbraw/zinc/40/43/27/518404327.db2.gz PKGMZAMQWNAIJK-UHFFFAOYSA-N 0 0 429.542 2.538 50 0 IFAARN CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 ZINC000020510202 518427705 /nfs/dbraw/zinc/42/77/05/518427705.db2.gz BMIXKBCFWNOBGP-UHFFFAOYSA-N 0 0 436.873 2.676 50 0 IFAARN CC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC1 ZINC000021511583 518559527 /nfs/dbraw/zinc/55/95/27/518559527.db2.gz HJMQHUWXJCOHLG-UHFFFAOYSA-N 0 0 447.923 2.687 50 0 IFAARN C=C1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H](C)NC(=O)c1ccccc1C(=O)OC ZINC000012883613 518668009 /nfs/dbraw/zinc/66/80/09/518668009.db2.gz XXCDIHJKVABRPZ-CQSZACIVSA-N 0 0 438.480 2.664 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1 ZINC000016515111 518772182 /nfs/dbraw/zinc/77/21/82/518772182.db2.gz HJIKNCNPUKAQSB-UHFFFAOYSA-N 0 0 429.542 2.820 50 0 IFAARN CC(C)(C)c1ccc(OCC(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000021982363 519040390 /nfs/dbraw/zinc/04/03/90/519040390.db2.gz CRYPEEQOSNMDHJ-UHFFFAOYSA-N 0 0 444.553 2.952 50 0 IFAARN CC(C)(C)n1ncc2c1ncn(CCC(=O)N1CCN(c3ccccc3Cl)CC1)c2=O ZINC000012440111 519171929 /nfs/dbraw/zinc/17/19/29/519171929.db2.gz UOOYEHVRGTUTTF-UHFFFAOYSA-N 0 0 442.951 2.740 50 0 IFAARN CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)CC1CC1 ZINC000036030767 519472387 /nfs/dbraw/zinc/47/23/87/519472387.db2.gz XZVGKEACXPGFEK-HXUWFJFHSA-N 0 0 449.548 2.934 50 0 IFAARN CC(=O)N1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)CC1 ZINC000012528223 519580790 /nfs/dbraw/zinc/58/07/90/519580790.db2.gz LYMXQRDWWGYUPF-UHFFFAOYSA-N 0 0 435.328 2.609 50 0 IFAARN CC(=O)N1CCN(C(=O)c2ccc(CSc3nc(C)cc(N4CCCC4)n3)cc2)CC1 ZINC000036026090 519581409 /nfs/dbraw/zinc/58/14/09/519581409.db2.gz FQUSYBOXWHOQEW-UHFFFAOYSA-N 0 0 439.585 2.982 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)c1 ZINC000022525530 519631953 /nfs/dbraw/zinc/63/19/53/519631953.db2.gz KPVXOJCKDJSQRO-KRWDZBQOSA-N 0 0 432.542 2.919 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N3C[C@H](C)C[C@H](C)C3)ccc21 ZINC000020232862 519633327 /nfs/dbraw/zinc/63/33/27/519633327.db2.gz JRYKPEPSCYIGDP-LLGFUMIMSA-N 0 0 449.617 2.793 50 0 IFAARN CC(=O)N1C[C@H](C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)Oc2ccccc21 ZINC000023908249 519635461 /nfs/dbraw/zinc/63/54/61/519635461.db2.gz LESATMUKFRVYBN-HXUWFJFHSA-N 0 0 436.537 2.755 50 0 IFAARN CC(=O)N1C[C@H](C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)Oc2ccccc21 ZINC000021630906 519635995 /nfs/dbraw/zinc/63/59/95/519635995.db2.gz FQFKMHXJPOWPOX-HXUWFJFHSA-N 0 0 449.463 2.658 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCCC1=CCCCC1 ZINC000015775554 519638775 /nfs/dbraw/zinc/63/87/75/519638775.db2.gz GQFWCNQTTOLMJW-QFIPXVFZSA-N 0 0 445.585 2.755 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)N3c4ccccc4C[C@@H]3C)cc2C[C@H]1C ZINC000020529188 519639073 /nfs/dbraw/zinc/63/90/73/519639073.db2.gz QTCUIUBPDZTCEV-CVEARBPZSA-N 0 0 441.553 2.582 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)S1 ZINC000020896501 519643662 /nfs/dbraw/zinc/64/36/62/519643662.db2.gz YGNFCIWOUCXQMS-GOSISDBHSA-N 0 0 433.511 2.764 50 0 IFAARN CC(C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(C)CC1 ZINC000035398996 519664277 /nfs/dbraw/zinc/66/42/77/519664277.db2.gz YCADJRSHXFBLDV-UHFFFAOYSA-N 0 0 449.617 2.939 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012804937 519687690 /nfs/dbraw/zinc/68/76/90/519687690.db2.gz VKWAIRXJRQCDMP-DJJJIMSYSA-N 0 0 437.452 2.514 50 0 IFAARN CC(C)CN(C(=O)CN1c2ccccc2CC[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012608793 519705211 /nfs/dbraw/zinc/70/52/11/519705211.db2.gz WVPOGDDERSZDQV-QGZVFWFLSA-N 0 0 441.576 2.605 50 0 IFAARN CC(C)CN(C(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12)[C@H]1CCS(=O)(=O)C1 ZINC000012633924 519705644 /nfs/dbraw/zinc/70/56/44/519705644.db2.gz YCYNWJPFANYRIM-YJBOKZPZSA-N 0 0 434.587 2.825 50 0 IFAARN CC(C)CN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)NC(C)C ZINC000036061814 519709758 /nfs/dbraw/zinc/70/97/58/519709758.db2.gz KOLHNJPUVBXQNJ-UHFFFAOYSA-N 0 0 438.576 2.868 50 0 IFAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1CC1 ZINC000035559759 519714055 /nfs/dbraw/zinc/71/40/55/519714055.db2.gz ZSTKVXQLZWFACF-NRFANRHFSA-N 0 0 441.553 2.910 50 0 IFAARN CC(C)CN(Cn1nc(N2CCCCC2)n(C2CC2)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000022842037 519719003 /nfs/dbraw/zinc/71/90/03/519719003.db2.gz LSOVTLNBXBNACB-QGZVFWFLSA-N 0 0 427.640 2.842 50 0 IFAARN CC(C)CN1C(=O)[C@H](C(C)C)NC12CCN(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000036014251 519719831 /nfs/dbraw/zinc/71/98/31/519719831.db2.gz UWOMINXEWKLSRM-SFHVURJKSA-N 0 0 427.998 2.933 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 ZINC000012553932 519721967 /nfs/dbraw/zinc/72/19/67/519721967.db2.gz FJGPADANPFRGMV-JOCHJYFZSA-N 0 0 436.512 2.864 50 0 IFAARN CC(=O)Nc1ccc(OC(=O)CN2C(=O)CN(c3ccc(Br)cc3)C2=O)cc1 ZINC000012379675 519728699 /nfs/dbraw/zinc/72/86/99/519728699.db2.gz KORVHQNVQZMFGW-UHFFFAOYSA-N 0 0 446.257 2.782 50 0 IFAARN CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)CCc2nc3ccccc3[nH]2)CC1=O ZINC000014532800 519732561 /nfs/dbraw/zinc/73/25/61/519732561.db2.gz WEGHFQZDGLMORT-FQEVSTJZSA-N 0 0 449.555 2.803 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000021307326 519732833 /nfs/dbraw/zinc/73/28/33/519732833.db2.gz WOPUMCIRLJSYFS-UHFFFAOYSA-N 0 0 430.526 2.966 50 0 IFAARN CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2cccnc2OCC(F)(F)F)c1 ZINC000033108206 519733580 /nfs/dbraw/zinc/73/35/80/519733580.db2.gz XFFCUXZEEWYFAZ-UHFFFAOYSA-N 0 0 431.436 2.639 50 0 IFAARN CC(C)CNC(=O)[C@@H](C)N1CC2=C(C1=O)[C@@H](c1ccc(C(F)(F)F)cc1)NC(=O)N2C ZINC000035965898 519738241 /nfs/dbraw/zinc/73/82/41/519738241.db2.gz BDMYREBSNDYRDQ-SJKOYZFVSA-N 0 0 438.450 2.659 50 0 IFAARN CC(C)CNC(=O)[C@H](C)N1CC2=C(C1=O)[C@@H](c1ccc(C(F)(F)F)cc1)NC(=O)N2C ZINC000035965900 519739851 /nfs/dbraw/zinc/73/98/51/519739851.db2.gz BDMYREBSNDYRDQ-YVEFUNNKSA-N 0 0 438.450 2.659 50 0 IFAARN CC(=O)Oc1ccc(Cl)cc1C1=NN(C(C)=O)[C@H](CCn2nnc3ccccc32)O1 ZINC000021091971 519759268 /nfs/dbraw/zinc/75/92/68/519759268.db2.gz GKVGVCLEVTXQME-IBGZPJMESA-N 0 0 427.848 2.967 50 0 IFAARN CC(C)COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)NCCCO)cc1 ZINC000012652572 519762393 /nfs/dbraw/zinc/76/23/93/519762393.db2.gz LYQRQKVUVBGPIQ-NDENLUEZSA-N 0 0 440.496 2.720 50 0 IFAARN CC(C)OCCCNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000012382726 519763081 /nfs/dbraw/zinc/76/30/81/519763081.db2.gz VQELDAOUFCKFBN-UHFFFAOYSA-N 0 0 434.558 2.963 50 0 IFAARN CC(C)C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)o1)N1Cc2ccccc2C1=O ZINC000020531411 519770012 /nfs/dbraw/zinc/77/00/12/519770012.db2.gz FMLWDUOHEWZSIJ-QFIPXVFZSA-N 0 0 425.529 2.799 50 0 IFAARN CC(C)[C@@H](NC(=O)CN1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000022848460 519796977 /nfs/dbraw/zinc/79/69/77/519796977.db2.gz ZZXGUYDXZRDROO-OHUGHZGNSA-N 0 0 446.611 2.761 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000032999987 519798219 /nfs/dbraw/zinc/79/82/19/519798219.db2.gz SBGFOBFBKOWBSU-UYAOXDASSA-N 0 0 433.549 2.831 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000022611952 519798246 /nfs/dbraw/zinc/79/82/46/519798246.db2.gz DVAVRHCNAWYFNI-QWQRMKEZSA-N 0 0 430.376 2.973 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000022611953 519820024 /nfs/dbraw/zinc/82/00/24/519820024.db2.gz DVAVRHCNAWYFNI-IYOUNJFTSA-N 0 0 430.376 2.973 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cccc(F)c1 ZINC000008825158 519821256 /nfs/dbraw/zinc/82/12/56/519821256.db2.gz ANCPOHJZDNHXJL-SFHVURJKSA-N 0 0 442.896 2.964 50 0 IFAARN CC(C)c1cc(C(=O)N2CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC2)on1 ZINC000012464006 519831489 /nfs/dbraw/zinc/83/14/89/519831489.db2.gz IHXIERKSFWBANW-UHFFFAOYSA-N 0 0 427.501 2.954 50 0 IFAARN CC(C)c1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)on1 ZINC000035286710 519833323 /nfs/dbraw/zinc/83/33/23/519833323.db2.gz BIJWNGYCTFEPII-UHFFFAOYSA-N 0 0 446.573 2.622 50 0 IFAARN CCCC(=O)Nc1cc(S(=O)(=O)CC)ccc1OCc1cc(=O)n2oc(C)cc2n1 ZINC000035378691 519877576 /nfs/dbraw/zinc/87/75/76/519877576.db2.gz XLGLKGRWSHUYOA-UHFFFAOYSA-N 0 0 433.486 2.707 50 0 IFAARN CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NC[C@@H]3CCCO3)C2)cc1 ZINC000033310207 519886865 /nfs/dbraw/zinc/88/68/65/519886865.db2.gz IPYXKWOPOOMMLW-LPHOPBHVSA-N 0 0 431.537 2.757 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021712867 519890755 /nfs/dbraw/zinc/89/07/55/519890755.db2.gz SPBRMQINUCKWKZ-FQEVSTJZSA-N 0 0 429.542 2.927 50 0 IFAARN CCCNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000012887670 519892060 /nfs/dbraw/zinc/89/20/60/519892060.db2.gz CFPVYVPWJQGPJO-PRPYNDMISA-N 0 0 430.508 2.669 50 0 IFAARN CCNC(=O)c1cccc(NC(=O)CSc2nnc(N(C(=O)CC)C3CC3)s2)c1 ZINC000012921066 519899853 /nfs/dbraw/zinc/89/98/53/519899853.db2.gz SGMYYDMZRWURPS-UHFFFAOYSA-N 0 0 433.559 2.924 50 0 IFAARN CCN(C(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@@H](C)O2)c1cccc(C)c1 ZINC000035452651 519909651 /nfs/dbraw/zinc/90/96/51/519909651.db2.gz JIMMUUCAKWFKJA-MRXNPFEDSA-N 0 0 445.541 2.696 50 0 IFAARN CC(C)n1c2ccc(-c3noc([C@H]4CC(=O)N(c5ccccc5)C4)n3)cc2[nH]c(=O)c1=O ZINC000035481967 519925212 /nfs/dbraw/zinc/92/52/12/519925212.db2.gz ZTNROTVJTPVUAC-HNNXBMFYSA-N 0 0 431.452 2.841 50 0 IFAARN CC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000020992883 519938911 /nfs/dbraw/zinc/93/89/11/519938911.db2.gz SBGOVAGHXBSEJE-UHFFFAOYSA-N 0 0 444.601 2.977 50 0 IFAARN CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000033028558 520056984 /nfs/dbraw/zinc/05/69/84/520056984.db2.gz UZFMDFDVIQQEKM-UHFFFAOYSA-N 0 0 441.475 2.966 50 0 IFAARN CCOCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)C(C)C)cc2=O)s1 ZINC000015772521 520069074 /nfs/dbraw/zinc/06/90/74/520069074.db2.gz BSOPPGXAAAXGBY-UHFFFAOYSA-N 0 0 444.513 2.682 50 0 IFAARN CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCCCCC4)C3)ccc21 ZINC000033023463 520140286 /nfs/dbraw/zinc/14/02/86/520140286.db2.gz AEHJWEOSXYZLOR-QGZVFWFLSA-N 0 0 433.578 2.816 50 0 IFAARN CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000012293053 520213808 /nfs/dbraw/zinc/21/38/08/520213808.db2.gz JZJCNYVRGHXFMT-IBGZPJMESA-N 0 0 439.537 2.512 50 0 IFAARN CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1cnn2-c1ccc2nnc(C)n2n1 ZINC000033271275 520297869 /nfs/dbraw/zinc/29/78/69/520297869.db2.gz CGTZFMOCSFJZIK-OAHLLOKOSA-N 0 0 433.472 2.890 50 0 IFAARN CCN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012650751 520312016 /nfs/dbraw/zinc/31/20/16/520312016.db2.gz SWBWFOIYHORTOJ-UHFFFAOYSA-N 0 0 435.977 2.695 50 0 IFAARN CCCCN(C(=O)CN1CCCc2cc(C)ccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013056276 520341428 /nfs/dbraw/zinc/34/14/28/520341428.db2.gz VPNNPDZAMHCBSA-UHFFFAOYSA-N 0 0 441.576 2.813 50 0 IFAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(CCN4CCCC4=O)CC3)C2=O)cc1 ZINC000020595517 520386390 /nfs/dbraw/zinc/38/63/90/520386390.db2.gz QGLIQEAETDHMLE-NRFANRHFSA-N 0 0 427.545 2.832 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035991683 520507826 /nfs/dbraw/zinc/50/78/26/520507826.db2.gz GXJRJNGRYALSTG-OAQYLSRUSA-N 0 0 443.544 2.783 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)NC(=O)NC1 ZINC000018262772 520521558 /nfs/dbraw/zinc/52/15/58/520521558.db2.gz UXAVSSCXACSJPN-UHFFFAOYSA-N 0 0 440.880 2.670 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cnc(SC)n2-c2ccccc2)NC(=O)N[C@H]1CC ZINC000012628749 520521675 /nfs/dbraw/zinc/52/16/75/520521675.db2.gz PLFCIBRMBROFDH-AWEZNQCLSA-N 0 0 444.513 2.660 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cc(C3CC3)nn2-c2ccccc2)NC(=O)N[C@@H]1CC ZINC000012746885 520522380 /nfs/dbraw/zinc/52/23/80/520522380.db2.gz APNNVTFNDPJJBL-MRXNPFEDSA-N 0 0 438.484 2.815 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000012437518 520527229 /nfs/dbraw/zinc/52/72/29/520527229.db2.gz CTECBHVJBFAAQD-SFHVURJKSA-N 0 0 434.901 2.985 50 0 IFAARN CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020613098 520542725 /nfs/dbraw/zinc/54/27/25/520542725.db2.gz JVIANRMEEDOXTR-UHFFFAOYSA-N 0 0 430.526 2.557 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3ccccc3Cl)C(=O)[C@@]2(c2ccc(Cl)cc2)NN1 ZINC000035146836 520545381 /nfs/dbraw/zinc/54/53/81/520545381.db2.gz CMKCUMNBOZASHU-QRWLVFNGSA-N 0 0 432.263 2.901 50 0 IFAARN CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)CCNC(=O)c2cccs2)cc1 ZINC000021538185 520552198 /nfs/dbraw/zinc/55/21/98/520552198.db2.gz BVAUIUXSPBDDKK-UHFFFAOYSA-N 0 0 431.514 2.532 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CC1 ZINC000021896136 520571373 /nfs/dbraw/zinc/57/13/73/520571373.db2.gz WUMJFRLPIAOKLV-UHFFFAOYSA-N 0 0 436.555 2.642 50 0 IFAARN CCOC(=O)C1CCN(S(=O)(=O)CCCOc2cccc3c2OC(C)(C)C3)CC1 ZINC000012440566 520577187 /nfs/dbraw/zinc/57/71/87/520577187.db2.gz UDIPQZOFCPEGNT-UHFFFAOYSA-N 0 0 425.547 2.774 50 0 IFAARN CCCCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033024535 520607175 /nfs/dbraw/zinc/60/71/75/520607175.db2.gz UDSZZNRIZMQPAV-UHFFFAOYSA-N 0 0 429.546 2.867 50 0 IFAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nnc(C)n2n1 ZINC000033271356 520610599 /nfs/dbraw/zinc/61/05/99/520610599.db2.gz OWIWPRJEOIGUMP-HNNXBMFYSA-N 0 0 433.472 2.808 50 0 IFAARN CC1(C)O[C@@H]2[C@H](O1)[C@@H]1OC(C)(C)O[C@@H]1O[C@@H]2C(=O)Oc1ccc(Br)cc1 ZINC000012406443 520612353 /nfs/dbraw/zinc/61/23/53/520612353.db2.gz WLZITUKKHHQEKY-BLDNINTCSA-N 0 0 429.263 2.751 50 0 IFAARN CC1(C)O[C@@H]2[C@@H](O1)[C@@H](C(=O)Oc1ccc(Br)cc1)O[C@H]1OC(C)(C)O[C@@H]21 ZINC000245225873 520612557 /nfs/dbraw/zinc/61/25/57/520612557.db2.gz WLZITUKKHHQEKY-NJURLYQPSA-N 0 0 429.263 2.751 50 0 IFAARN CCOC(=O)CCNC(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000012718404 520686040 /nfs/dbraw/zinc/68/60/40/520686040.db2.gz PSVWTZVDRCJPIX-OAHLLOKOSA-N 0 0 425.476 2.736 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 ZINC000012848918 520721962 /nfs/dbraw/zinc/72/19/62/520721962.db2.gz MDPKNHDWZAHPDN-IERDGZPVSA-N 0 0 434.514 2.579 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000012895612 520722126 /nfs/dbraw/zinc/72/21/26/520722126.db2.gz SAEOUZVBPRMCDJ-UHFFFAOYSA-N 0 0 429.498 2.711 50 0 IFAARN CCOc1cc([C@@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000021175991 520779614 /nfs/dbraw/zinc/77/96/14/520779614.db2.gz SIVAOQMATINALU-QHCPKHFHSA-N 0 0 447.491 2.930 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000012656471 520788268 /nfs/dbraw/zinc/78/82/68/520788268.db2.gz SPFHQSRGNRTRJC-WXGCWKKZSA-N 0 0 436.574 2.968 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000012806713 520789514 /nfs/dbraw/zinc/78/95/14/520789514.db2.gz HYBNETVTDQAETO-UHFFFAOYSA-N 0 0 432.329 2.824 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000012925895 520791125 /nfs/dbraw/zinc/79/11/25/520791125.db2.gz AQIVQJNRWVDTFN-UHFFFAOYSA-N 0 0 445.541 2.928 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000021933846 520794249 /nfs/dbraw/zinc/79/42/49/520794249.db2.gz KQEGUWPXLGZABY-UHFFFAOYSA-N 0 0 429.542 2.556 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cn2c(C)csc2=O)c1 ZINC000022559304 520805044 /nfs/dbraw/zinc/80/50/44/520805044.db2.gz DXZKJSNRQYJUSN-UHFFFAOYSA-N 0 0 441.575 2.675 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(N)=O)n2CC(C)C)c1 ZINC000012692145 520816607 /nfs/dbraw/zinc/81/66/07/520816607.db2.gz NZWVXBDEZAWTKK-CQSZACIVSA-N 0 0 439.607 2.598 50 0 IFAARN CCOc1ccc(-n2ccn(CC(=O)Nc3ccc(OC)c(Cl)c3)c(=O)c2=O)cc1 ZINC000022725386 520837238 /nfs/dbraw/zinc/83/72/38/520837238.db2.gz AAAIPOCLCFSNKW-UHFFFAOYSA-N 0 0 429.860 2.699 50 0 IFAARN C=C1C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000020901169 520842268 /nfs/dbraw/zinc/84/22/68/520842268.db2.gz IRWSFGGREOIFSQ-UHFFFAOYSA-N 0 0 425.510 2.706 50 0 IFAARN C=C1C(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000021913542 520843485 /nfs/dbraw/zinc/84/34/85/520843485.db2.gz TVUQRHLFFAOKCZ-HXUWFJFHSA-N 0 0 445.585 2.784 50 0 IFAARN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cccnc3)C2=O)cc1OC ZINC000012758132 520851443 /nfs/dbraw/zinc/85/14/43/520851443.db2.gz ZHSHEKOWQMUFCO-PDGQHHTCSA-N 0 0 427.482 2.955 50 0 IFAARN CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(Cc2ccncc2)CC1 ZINC000021182043 520862522 /nfs/dbraw/zinc/86/25/22/520862522.db2.gz IQBOLNRSFGCSSB-UHFFFAOYSA-N 0 0 440.363 2.749 50 0 IFAARN CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000012537237 520889553 /nfs/dbraw/zinc/88/95/53/520889553.db2.gz QZFPAPBMMYRMJD-QGZVFWFLSA-N 0 0 427.501 2.656 50 0 IFAARN CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000012537236 520890071 /nfs/dbraw/zinc/89/00/71/520890071.db2.gz QZFPAPBMMYRMJD-KRWDZBQOSA-N 0 0 427.501 2.656 50 0 IFAARN CCOc1ccc(C(=O)NCCn2ncc3c2ncn(Cc2ccc(F)cc2)c3=O)cc1 ZINC000012071687 520908301 /nfs/dbraw/zinc/90/83/01/520908301.db2.gz OBQACTVABITVAE-UHFFFAOYSA-N 0 0 435.459 2.609 50 0 IFAARN CCOc1ccc(CCNC(=O)CCCN2c3cc(C)nn3CCC2=O)cc1OCC ZINC000020943976 520948430 /nfs/dbraw/zinc/94/84/30/520948430.db2.gz VDXPNIKSQBAYKR-UHFFFAOYSA-N 0 0 428.533 2.865 50 0 IFAARN CCOc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCCCCC3)C2)cc1 ZINC000015680894 520951744 /nfs/dbraw/zinc/95/17/44/520951744.db2.gz SLIFMLGXICIEDM-HXUWFJFHSA-N 0 0 437.606 2.577 50 0 IFAARN CC1CCC(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCC2)CC1 ZINC000035449033 520955927 /nfs/dbraw/zinc/95/59/27/520955927.db2.gz DSYQWISNYVYMRA-UHFFFAOYSA-N 0 0 447.601 2.835 50 0 IFAARN CCOC(=O)N1CCN([C@@H](c2ccc(OC)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022696851 520956804 /nfs/dbraw/zinc/95/68/04/520956804.db2.gz XYBCOOFAUNWZHN-NRFANRHFSA-N 0 0 429.517 2.754 50 0 IFAARN CCOC(=O)N1CCN([C@@H](c2ccccc2OC)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022696936 520958271 /nfs/dbraw/zinc/95/82/71/520958271.db2.gz BMBQCWGBHBFWPS-NRFANRHFSA-N 0 0 429.517 2.754 50 0 IFAARN CC1CCN(c2ccc(NC(=O)CN3CCCN(CC(=O)NC(C)(C)C)CC3)cc2)CC1 ZINC000022802177 521043124 /nfs/dbraw/zinc/04/31/24/521043124.db2.gz UHYCEFCOALMWSB-UHFFFAOYSA-N 0 0 443.636 2.784 50 0 IFAARN CC1CCN(c2ncc3c(n2)CC[C@@H](C(=O)N(C)CC(=O)N2CCCCCC2)C3)CC1 ZINC000065289551 521051038 /nfs/dbraw/zinc/05/10/38/521051038.db2.gz XLJQJEKGHUZUOI-LJQANCHMSA-N 0 0 427.593 2.679 50 0 IFAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC000020487002 521058549 /nfs/dbraw/zinc/05/85/49/521058549.db2.gz FJLFCLDRHIPEFK-UHFFFAOYSA-N 0 0 445.541 2.599 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1S(=O)(=O)N(CC)CC ZINC000012775277 521100224 /nfs/dbraw/zinc/10/02/24/521100224.db2.gz YLTNOCRSJWUQTP-MRXNPFEDSA-N 0 0 447.557 2.873 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)C1 ZINC000013362550 521106664 /nfs/dbraw/zinc/10/66/64/521106664.db2.gz YIYGZMDHQMYYLZ-CQSZACIVSA-N 0 0 444.875 2.507 50 0 IFAARN CCOc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N1CCOCC1 ZINC000012742652 521118684 /nfs/dbraw/zinc/11/86/84/521118684.db2.gz XYPZDWUHSHZBDV-UHFFFAOYSA-N 0 0 443.525 2.850 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(c2nc(COC)nc3c2cnn3-c2ccc(OC)cc2)C1 ZINC000035990203 521123407 /nfs/dbraw/zinc/12/34/07/521123407.db2.gz VZRLQMNEBPVHGL-OAHLLOKOSA-N 0 0 425.489 2.750 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NC1CCCC1 ZINC000021635987 521166819 /nfs/dbraw/zinc/16/68/19/521166819.db2.gz LLYUNXPUFXJJDB-HXUWFJFHSA-N 0 0 433.574 2.588 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000016475598 521192429 /nfs/dbraw/zinc/19/24/29/521192429.db2.gz GPNGOQODRQQZIM-UHFFFAOYSA-N 0 0 446.525 2.896 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccn3)C2)cc1Cl ZINC000013567107 521194564 /nfs/dbraw/zinc/19/45/64/521194564.db2.gz SRNREAUTDPLLSO-HNNXBMFYSA-N 0 0 437.949 2.851 50 0 IFAARN CCC(=O)Nc1cc2nc(Cc3ccccc3)n(C)c2c(C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000012240222 521197475 /nfs/dbraw/zinc/19/74/75/521197475.db2.gz ZZUBNYNUCGWMQW-IBGZPJMESA-N 0 0 447.539 2.911 50 0 IFAARN CCC(=O)c1cc(F)ccc1OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000012548926 521239788 /nfs/dbraw/zinc/23/97/88/521239788.db2.gz QCWJLIFCBRTEJZ-UHFFFAOYSA-N 0 0 438.477 2.695 50 0 IFAARN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000012412335 521255823 /nfs/dbraw/zinc/25/58/23/521255823.db2.gz IAYMMRZDTONQQU-KRWDZBQOSA-N 0 0 449.536 2.899 50 0 IFAARN CCOc1ccc2nc(NC(=O)Cn3cnc(S(=O)(=O)N4CCCCC4)c3)sc2c1 ZINC000020994516 521305682 /nfs/dbraw/zinc/30/56/82/521305682.db2.gz FTPVYIOEBQWVEG-UHFFFAOYSA-N 0 0 449.558 2.705 50 0 IFAARN CCCc1cc(=O)[nH]c(SCC2=C(C(=O)OCC)[C@H](c3cccs3)NC(=O)N2)n1 ZINC000012776056 521343618 /nfs/dbraw/zinc/34/36/18/521343618.db2.gz MAXMXXBAIVPNMP-INIZCTEOSA-N 0 0 434.543 2.747 50 0 IFAARN CCCc1cc(=O)n2nc(N(C)CC(=O)NCCc3ccc(SC)cc3)sc2n1 ZINC000020866050 521346767 /nfs/dbraw/zinc/34/67/67/521346767.db2.gz PFQDBGSSMCIZSS-UHFFFAOYSA-N 0 0 431.587 2.621 50 0 IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCc4ccc(OC)cc4)CC3)sc2n1 ZINC000021165781 521346865 /nfs/dbraw/zinc/34/68/65/521346865.db2.gz GSKSEIIGBQSAGG-UHFFFAOYSA-N 0 0 441.557 2.645 50 0 IFAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000012702246 521355499 /nfs/dbraw/zinc/35/54/99/521355499.db2.gz ZQAJBKJSKMWFFH-DEOSSOPVSA-N 0 0 437.471 2.862 50 0 IFAARN CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012911209 521357813 /nfs/dbraw/zinc/35/78/13/521357813.db2.gz AAJHOEQMTSTUJP-UHFFFAOYSA-N 0 0 444.553 2.907 50 0 IFAARN CCCCn1c(SCC2=C(C(=O)OCC)CNC(=O)N2)nnc1-c1ccc(OC)cc1 ZINC000021261084 521373317 /nfs/dbraw/zinc/37/33/17/521373317.db2.gz JUOKTILXZJQJJY-UHFFFAOYSA-N 0 0 445.545 2.976 50 0 IFAARN CCN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011904734 521374159 /nfs/dbraw/zinc/37/41/59/521374159.db2.gz ISFBTNPFTHAGEW-UHFFFAOYSA-N 0 0 436.555 2.581 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1C ZINC000012529541 521377527 /nfs/dbraw/zinc/37/75/27/521377527.db2.gz IIRIJUZGPNCQSG-AWEZNQCLSA-N 0 0 432.498 2.900 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(Cl)c1 ZINC000020582439 521382639 /nfs/dbraw/zinc/38/26/39/521382639.db2.gz FDIIBOFEDIGXKO-UHFFFAOYSA-N 0 0 427.910 2.721 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000020582462 521383255 /nfs/dbraw/zinc/38/32/55/521383255.db2.gz AWXVOTBIXWAUSW-UHFFFAOYSA-N 0 0 427.910 2.687 50 0 IFAARN CCOc1cccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2NC(=O)c2ccccc2)c1 ZINC000012629681 521388772 /nfs/dbraw/zinc/38/87/72/521388772.db2.gz SGSOKOMECHSTHB-SFHVURJKSA-N 0 0 440.525 2.577 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000021116563 521396036 /nfs/dbraw/zinc/39/60/36/521396036.db2.gz ZBLZELAHXFZQOH-QGZVFWFLSA-N 0 0 447.557 2.858 50 0 IFAARN CCOC(=O)c1c(C)n(C2CC2)c(C)c1CNC(=O)c1ccc(N2CCOCC2)nc1 ZINC000020223761 521397948 /nfs/dbraw/zinc/39/79/48/521397948.db2.gz RAOXPYJHNXLBKK-UHFFFAOYSA-N 0 0 426.517 2.778 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CN1CCN(c3ncccn3)CC1)C[C@H](C)CC2 ZINC000012770725 521415076 /nfs/dbraw/zinc/41/50/76/521415076.db2.gz QFWQBNZGCCNYMC-OAHLLOKOSA-N 0 0 443.573 2.600 50 0 IFAARN CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(F)cc1Cl)c(=O)n2C ZINC000012410790 521433249 /nfs/dbraw/zinc/43/32/49/521433249.db2.gz LEZFFPLBOLWFHC-UHFFFAOYSA-N 0 0 431.851 2.990 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(c1ccc(C)c(F)c1)C2=O ZINC000021781477 521455622 /nfs/dbraw/zinc/45/56/22/521455622.db2.gz WHFUNJROSCMFFT-HSZRJFAPSA-N 0 0 442.491 2.985 50 0 IFAARN CCOC(=O)c1ccc(C)c(CNC(=O)CSc2nnc(-c3ccncc3)n2C)c1 ZINC000015108461 521472314 /nfs/dbraw/zinc/47/23/14/521472314.db2.gz WIMMSKATAFXFJS-UHFFFAOYSA-N 0 0 425.514 2.771 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1 ZINC000022876237 521483102 /nfs/dbraw/zinc/48/31/02/521483102.db2.gz JGSSJLAZAZTHQB-CJHOVAGGSA-N 0 0 447.535 2.826 50 0 IFAARN CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000001037241 521486905 /nfs/dbraw/zinc/48/69/05/521486905.db2.gz ZQXSZWIABDHKJP-UHFFFAOYSA-N 0 0 444.484 2.978 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN2C(=O)CSc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000035402811 521494535 /nfs/dbraw/zinc/49/45/35/521494535.db2.gz BRANKWFXMDAKEO-UHFFFAOYSA-N 0 0 441.509 2.643 50 0 IFAARN CCN1C(=O)C[C@](CC(=O)N(C)C2CCOCC2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000012160671 521525291 /nfs/dbraw/zinc/52/52/91/521525291.db2.gz CSVKGYSFPKAENW-HXUWFJFHSA-N 0 0 426.435 2.750 50 0 IFAARN CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCc1ccccc1C ZINC000021919900 521538099 /nfs/dbraw/zinc/53/80/99/521538099.db2.gz MNVZGPJFLIGUMQ-RUZDIDTESA-N 0 0 432.524 2.617 50 0 IFAARN CCOc1ccccc1NC(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 ZINC000021151146 521538265 /nfs/dbraw/zinc/53/82/65/521538265.db2.gz JOGUCVKIZWAELZ-UHFFFAOYSA-N 0 0 443.458 2.689 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cn2C)c1 ZINC000035431316 521543293 /nfs/dbraw/zinc/54/32/93/521543293.db2.gz KRVLXVCOJFNTLS-UHFFFAOYSA-N 0 0 433.530 2.875 50 0 IFAARN CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000012794140 521563800 /nfs/dbraw/zinc/56/38/00/521563800.db2.gz DTFQIILKILBFJX-OAQYLSRUSA-N 0 0 427.482 2.647 50 0 IFAARN CCOc1ccccc1OCCCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009666677 521564107 /nfs/dbraw/zinc/56/41/07/521564107.db2.gz PWKULPFHYWBCLT-UHFFFAOYSA-N 0 0 448.541 2.904 50 0 IFAARN CCOC(=O)c1cn(CC(=O)Nc2cc(OC)ccc2OC)c2nc(C)ccc2c1=O ZINC000020986407 521566965 /nfs/dbraw/zinc/56/69/65/521566965.db2.gz YJDBJKFCQQARER-UHFFFAOYSA-N 0 0 425.441 2.538 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCN(c4cccc(OC)c4)CC3)cc2)c1N ZINC000021651813 521577800 /nfs/dbraw/zinc/57/78/00/521577800.db2.gz YSBYNSMXHGQOAS-UHFFFAOYSA-N 0 0 449.511 2.602 50 0 IFAARN CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CN1CCOCC1)CO[C@](C)(CC)C3 ZINC000020646755 521619528 /nfs/dbraw/zinc/61/95/28/521619528.db2.gz JTFZVPKNHFHFAA-JOCHJYFZSA-N 0 0 447.557 2.985 50 0 IFAARN CCS(=O)(=O)N1CCC(C(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)CC1 ZINC000022472709 521661775 /nfs/dbraw/zinc/66/17/75/521661775.db2.gz PSIXNBHJAVFGJQ-UHFFFAOYSA-N 0 0 433.506 2.710 50 0 IFAARN CCN1CCN(C(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)CC1 ZINC000020531925 521662236 /nfs/dbraw/zinc/66/22/36/521662236.db2.gz YMTAECRQVDHYRL-UHFFFAOYSA-N 0 0 442.564 2.977 50 0 IFAARN CCN1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)CC1 ZINC000022132122 521666696 /nfs/dbraw/zinc/66/66/96/521666696.db2.gz UMEACWHIEGRKOG-QGZVFWFLSA-N 0 0 437.569 2.734 50 0 IFAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)C(C)C)c1 ZINC000035378692 521690114 /nfs/dbraw/zinc/69/01/14/521690114.db2.gz NYANGMWZDVXKNO-UHFFFAOYSA-N 0 0 433.486 2.563 50 0 IFAARN CCS(=O)(=O)c1ncc(CN2CCC[C@@H](COc3cccc(F)c3)C2)n1CCOC ZINC000012446236 521694848 /nfs/dbraw/zinc/69/48/48/521694848.db2.gz SRKZRDHDZATGHF-QGZVFWFLSA-N 0 0 439.553 2.753 50 0 IFAARN CCS(=O)(=O)c1ncc(CN2CCC[C@H](COc3ccc(F)cc3)C2)n1CCOC ZINC000012299711 521694883 /nfs/dbraw/zinc/69/48/83/521694883.db2.gz VCPMGSFCPXAIBF-KRWDZBQOSA-N 0 0 439.553 2.753 50 0 IFAARN CCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000021657820 521730964 /nfs/dbraw/zinc/73/09/64/521730964.db2.gz ILPYQIRYDSDZJG-UHFFFAOYSA-N 0 0 435.527 2.960 50 0 IFAARN CCNC(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000035949018 521739138 /nfs/dbraw/zinc/73/91/38/521739138.db2.gz GMRVHAODFHVMAA-SFHVURJKSA-N 0 0 426.448 2.893 50 0 IFAARN CCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccco1 ZINC000036061817 521739162 /nfs/dbraw/zinc/73/91/62/521739162.db2.gz YCMJBRIWYFJEBY-UHFFFAOYSA-N 0 0 448.527 2.617 50 0 IFAARN CCNC(=O)N(CC)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@@H]1CCCO1 ZINC000036031837 521739313 /nfs/dbraw/zinc/73/93/13/521739313.db2.gz QDNRNKCYBQDPKH-IBGZPJMESA-N 0 0 434.562 2.587 50 0 IFAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1CCOC)CC1CC1 ZINC000036042829 521739520 /nfs/dbraw/zinc/73/95/20/521739520.db2.gz ABFGTFAWYUTVOK-UHFFFAOYSA-N 0 0 448.589 2.753 50 0 IFAARN CCNC(=O)[C@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2C)c1 ZINC000021662555 521746975 /nfs/dbraw/zinc/74/69/75/521746975.db2.gz PQYYWWBIGPSVKR-LJQANCHMSA-N 0 0 429.542 2.845 50 0 IFAARN COC(=O)c1c(C)c(C(C)C)sc1NC(=O)Cc1sc(N2CCOCC2)nc1O ZINC000012323331 521753238 /nfs/dbraw/zinc/75/32/38/521753238.db2.gz UOKPOMHASWJSQC-GFCCVEGCSA-N 0 0 439.559 2.625 50 0 IFAARN CCc1cccc(NC(=O)Cn2c3cn(CC)nc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000021713686 521756365 /nfs/dbraw/zinc/75/63/65/521756365.db2.gz AQLGNXOCAIRJTC-UHFFFAOYSA-N 0 0 449.486 2.768 50 0 IFAARN CCc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c1 ZINC000020327014 521765759 /nfs/dbraw/zinc/76/57/59/521765759.db2.gz YITWFBRXMOOXFN-INIZCTEOSA-N 0 0 443.525 2.733 50 0 IFAARN COCCS(=O)(=O)c1ncc(CN(C)Cc2nc(C)cs2)n1Cc1ccccc1 ZINC000012306328 521768945 /nfs/dbraw/zinc/76/89/45/521768945.db2.gz CVIGFTNGIFSMNE-UHFFFAOYSA-N 0 0 434.587 2.748 50 0 IFAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@@H](C)CC(C)(C)O)cnc2n1C[C@H]1CCCO1 ZINC000014534485 521772697 /nfs/dbraw/zinc/77/26/97/521772697.db2.gz NOLFIUAUDLGUFS-XJKSGUPXSA-N 0 0 432.521 2.922 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2cccc(C)c2)CC3)n1CC ZINC000033287977 521792269 /nfs/dbraw/zinc/79/22/69/521792269.db2.gz KHXAOSLUEFIZIJ-UHFFFAOYSA-N 0 0 446.602 2.866 50 0 IFAARN CCSc1nnc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)cc2)s1 ZINC000012599007 521794029 /nfs/dbraw/zinc/79/40/29/521794029.db2.gz OJUPOEAWFJDNHW-CQSZACIVSA-N 0 0 444.604 2.990 50 0 IFAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000012738124 521817072 /nfs/dbraw/zinc/81/70/72/521817072.db2.gz LHSRXTILKFLXDE-MRXNPFEDSA-N 0 0 439.486 2.914 50 0 IFAARN CNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012911386 521834140 /nfs/dbraw/zinc/83/41/40/521834140.db2.gz ZYXPFOSSEQKJJF-UHFFFAOYSA-N 0 0 441.553 2.574 50 0 IFAARN CC[C@@H](C(=O)NCCCN1CCOCC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020467043 521839485 /nfs/dbraw/zinc/83/94/85/521839485.db2.gz AEFSPJYKVTVTCU-KRWDZBQOSA-N 0 0 428.558 2.709 50 0 IFAARN CCc1ccccc1NC(=O)Cn1c2cn(CC)nc2c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000021713808 521880812 /nfs/dbraw/zinc/88/08/12/521880812.db2.gz SRRNCOJARSUYFA-UHFFFAOYSA-N 0 0 445.523 2.937 50 0 IFAARN CNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000012772725 521917431 /nfs/dbraw/zinc/91/74/31/521917431.db2.gz XNVFTWZJBGAKEK-CQSZACIVSA-N 0 0 435.933 2.739 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(c1ccc(OC)cc1)C2=O ZINC000021878211 521921896 /nfs/dbraw/zinc/92/18/96/521921896.db2.gz PXCFEORWRSUULA-HSZRJFAPSA-N 0 0 440.500 2.546 50 0 IFAARN CC[C@@H](C)CC(=O)N1CCC([C@@]2(Cc3cccc(F)c3)NC(=O)N(CCOC)C2=O)CC1 ZINC000012099207 521933412 /nfs/dbraw/zinc/93/34/12/521933412.db2.gz QYEIOXKECANWFI-MZNJEOGPSA-N 0 0 447.551 2.980 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCN(C)c2ccccc2)c1 ZINC000012537909 521984984 /nfs/dbraw/zinc/98/49/84/521984984.db2.gz JJFKRMCTKZYRBB-UHFFFAOYSA-N 0 0 444.601 2.793 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC000012903887 521985002 /nfs/dbraw/zinc/98/50/02/521985002.db2.gz JELRKUXARNKAJD-OAHLLOKOSA-N 0 0 435.933 2.578 50 0 IFAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000012196553 522031800 /nfs/dbraw/zinc/03/18/00/522031800.db2.gz XQPRILPOPAMHHC-HNNXBMFYSA-N 0 0 427.320 2.759 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2ccc(F)cc2F)n(-c2ccccc2Cl)c1=O ZINC000034694095 522055944 /nfs/dbraw/zinc/05/59/44/522055944.db2.gz SHBDOOOFCSOPHD-UHFFFAOYSA-N 0 0 446.841 2.975 50 0 IFAARN COCCn1c2ccc(OC)cc2s/c1=N/C(=O)CCS(=O)(=O)c1ccccc1 ZINC000012080569 522074516 /nfs/dbraw/zinc/07/45/16/522074516.db2.gz DODSPRPHSKHUFN-QZQOTICOSA-N 0 0 434.539 2.649 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1 ZINC000012237719 522100465 /nfs/dbraw/zinc/10/04/65/522100465.db2.gz ZPAADRZHABPDGH-UHFFFAOYSA-N 0 0 437.843 2.661 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)NCC(=O)Nc3ccccc3OC)c(C)s2)no1 ZINC000035556341 522142107 /nfs/dbraw/zinc/14/21/07/522142107.db2.gz DDJDUQFKTWRVEF-UHFFFAOYSA-N 0 0 436.515 2.595 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3cccc(C)c3)c(C)s2)no1 ZINC000035556344 522142894 /nfs/dbraw/zinc/14/28/94/522142894.db2.gz SLYSOJWLFQNXCJ-UHFFFAOYSA-N 0 0 434.543 2.572 50 0 IFAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)c2)no1 ZINC000021707798 522149928 /nfs/dbraw/zinc/14/99/28/522149928.db2.gz JHFIEHZABDXSMF-UHFFFAOYSA-N 0 0 438.575 2.820 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(S[C@H](C)c1nc(C)no1)n(C[C@@H]1CCCO1)c2=O ZINC000012821167 522186045 /nfs/dbraw/zinc/18/60/45/522186045.db2.gz STKRGEKADTWOBE-RISCZKNCSA-N 0 0 430.486 2.907 50 0 IFAARN COC[C@@H](C)NC(=O)Cn1nc(C)c(NC(=O)c2cc(-c3ccccc3F)no2)c1C ZINC000012847721 522230778 /nfs/dbraw/zinc/23/07/78/522230778.db2.gz UTJFFHZTSYTJPL-GFCCVEGCSA-N 0 0 429.452 2.697 50 0 IFAARN CC[C@@H](C)OC(=O)c1c2c(sc1NC(=O)Cn1cnc3c(cnn3C)c1=O)CCCC2 ZINC000020607112 522238142 /nfs/dbraw/zinc/23/81/42/522238142.db2.gz ZYOXCTQFSOLTLW-GFCCVEGCSA-N 0 0 443.529 2.664 50 0 IFAARN COC(=O)c1cccc(S(=O)(=O)N(C)CCOc2ccc(Br)cc2)c1 ZINC000024356723 522247367 /nfs/dbraw/zinc/24/73/67/522247367.db2.gz FAZKADHCOPIKJG-UHFFFAOYSA-N 0 0 428.304 2.935 50 0 IFAARN COC(=O)c1ccccc1Cn1cnc2c1c(=O)n(CC1CC1)c(=O)n2-c1ccccc1 ZINC000034694738 522265504 /nfs/dbraw/zinc/26/55/04/522265504.db2.gz CLBDSJDWMRCJGL-UHFFFAOYSA-N 0 0 430.464 2.594 50 0 IFAARN COC(=O)c1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000012761064 522266721 /nfs/dbraw/zinc/26/67/21/522266721.db2.gz WNJIWTVHWKVZSA-HZPDHXFCSA-N 0 0 446.525 2.548 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000023389215 522269560 /nfs/dbraw/zinc/26/95/60/522269560.db2.gz JHMIUBQCEBESGA-UHFFFAOYSA-N 0 0 430.258 2.974 50 0 IFAARN COC(=O)c1sc(NC(=O)COC(=O)CCc2ccccc2OC)c(C(=O)OC)c1C ZINC000021548890 522426760 /nfs/dbraw/zinc/42/67/60/522426760.db2.gz YPXYJJXMEIQEPT-UHFFFAOYSA-N 0 0 449.481 2.753 50 0 IFAARN CN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000012744424 522452456 /nfs/dbraw/zinc/45/24/56/522452456.db2.gz DWYLVRIABMZPDY-AEFFLSMTSA-N 0 0 441.509 2.822 50 0 IFAARN COC(=O)c1sccc1S(=O)(=O)Nc1c(=O)n(-c2ccccc2)n(C)c1C(C)C ZINC000012825565 522452527 /nfs/dbraw/zinc/45/25/27/522452527.db2.gz IRQJSMKLDRLTQZ-UHFFFAOYSA-N 0 0 435.527 2.948 50 0 IFAARN CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000013121197 522452628 /nfs/dbraw/zinc/45/26/28/522452628.db2.gz YKAHGHBLXKJBIU-AEFFLSMTSA-N 0 0 435.933 2.730 50 0 IFAARN CN(CC(=O)NCc1ccc(Cn2cccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016302149 522485254 /nfs/dbraw/zinc/48/52/54/522485254.db2.gz VDPIWCFINTXOQZ-UHFFFAOYSA-N 0 0 432.933 2.522 50 0 IFAARN COc1cc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)ccc1O ZINC000012324544 522502400 /nfs/dbraw/zinc/50/24/00/522502400.db2.gz GXVAJAIFPVYFQD-GCJKJVERSA-N 0 0 426.494 2.645 50 0 IFAARN CN(CC(=O)Nc1ccc(O)c2ccccc12)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000012801015 522506710 /nfs/dbraw/zinc/50/67/10/522506710.db2.gz CMQJYZXEHUAUBK-UHFFFAOYSA-N 0 0 442.493 2.966 50 0 IFAARN COC1CCN(C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)CC1 ZINC000012244094 522694104 /nfs/dbraw/zinc/69/41/04/522694104.db2.gz MDZDJAYJAQPBHJ-OAQYLSRUSA-N 0 0 438.446 2.892 50 0 IFAARN CCc1nn2c(nc(COC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2=O)s1 ZINC000020981687 522708994 /nfs/dbraw/zinc/70/89/94/522708994.db2.gz WCDVJJAOPVVWGE-UHFFFAOYSA-N 0 0 432.889 2.851 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc(OC)c1 ZINC000020901360 522710062 /nfs/dbraw/zinc/71/00/62/522710062.db2.gz LWPSBQCPWZBIOR-CYBMUJFWSA-N 0 0 431.518 2.537 50 0 IFAARN CCc1nnc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC)s1 ZINC000012851384 522764941 /nfs/dbraw/zinc/76/49/41/522764941.db2.gz HZTHHKBOGXXDDO-SNVBAGLBSA-N 0 0 435.535 2.527 50 0 IFAARN COCC(=O)NC[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1cccc(F)c1 ZINC000036048413 522765772 /nfs/dbraw/zinc/76/57/72/522765772.db2.gz JEPLGEGERJPOBQ-GOSISDBHSA-N 0 0 431.464 2.737 50 0 IFAARN COc1cc(OC)cc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)c1 ZINC000016047988 522839776 /nfs/dbraw/zinc/83/97/76/522839776.db2.gz FJEJMTCLYOZHCR-UHFFFAOYSA-N 0 0 435.433 2.695 50 0 IFAARN COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@]1(NC(=O)c1ccccc1OC)C(F)(F)F ZINC000020568731 522865959 /nfs/dbraw/zinc/86/59/59/522865959.db2.gz BPNNEHJSBFMCAL-FQEVSTJZSA-N 0 0 440.418 2.958 50 0 IFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1ccccc1C(F)(F)F ZINC000023701735 522876384 /nfs/dbraw/zinc/87/63/84/522876384.db2.gz PFAYORYMDMHFSK-UHFFFAOYSA-N 0 0 427.375 2.862 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2cccc(Cl)c2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020858128 522890166 /nfs/dbraw/zinc/89/01/66/522890166.db2.gz SOZQXRXEMVVREM-SFHVURJKSA-N 0 0 434.901 2.903 50 0 IFAARN COC(=O)C1=C(OC(=O)c2ccccc2OC)c2ccccc2S(=O)(=O)N1C(C)C ZINC000020894164 522897088 /nfs/dbraw/zinc/89/70/88/522897088.db2.gz CPUZRBOJXOMWJO-UHFFFAOYSA-N 0 0 431.466 2.807 50 0 IFAARN COCc1c(C(=O)NCCc2ccncc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000014981116 522898230 /nfs/dbraw/zinc/89/82/30/522898230.db2.gz DPNKKCXADWPGNI-UHFFFAOYSA-N 0 0 440.507 2.942 50 0 IFAARN COCc1c(C(=O)NCCc2cccnc2)cnn1-c1nccc(-c2ccccc2OC)n1 ZINC000011912584 522899196 /nfs/dbraw/zinc/89/91/96/522899196.db2.gz OWKFICZNJQBRGX-UHFFFAOYSA-N 0 0 444.495 2.852 50 0 IFAARN COc1cc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)cc(OC)c1OC ZINC000032930018 522927462 /nfs/dbraw/zinc/92/74/62/522927462.db2.gz VXFKBLGWUSQNHJ-SFHVURJKSA-N 0 0 447.513 2.782 50 0 IFAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)ccc1OCC(N)=O ZINC000020892921 522932362 /nfs/dbraw/zinc/93/23/62/522932362.db2.gz AQDUTQZQZGOMIQ-NRFANRHFSA-N 0 0 438.509 2.828 50 0 IFAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCC[C@H]3CCCO)cc2)CC1 ZINC000012570642 522944153 /nfs/dbraw/zinc/94/41/53/522944153.db2.gz VEKFXWKRNPFKSV-FQEVSTJZSA-N 0 0 432.561 2.860 50 0 IFAARN COc1cc([C@H]2CN(C(=S)NC(C)C)C[C@@H]2C(=O)NCC(C)C)cc(OC)c1OC ZINC000036044687 522962843 /nfs/dbraw/zinc/96/28/43/522962843.db2.gz PAMMKIMCUCCHJM-SJORKVTESA-N 0 0 437.606 2.783 50 0 IFAARN COc1cc([C@H]2CN(C(=S)NC(C)C)C[C@@H]2C(=O)NCC2CC2)cc(OC)c1OC ZINC000036044704 522963258 /nfs/dbraw/zinc/96/32/58/522963258.db2.gz RSXMRAGPHOSBNY-SJORKVTESA-N 0 0 435.590 2.537 50 0 IFAARN COc1ccc(-c2cc(C(=O)NC3CCCC3)[nH]n2)cc1S(=O)(=O)N1CCCCC1 ZINC000015860826 523095583 /nfs/dbraw/zinc/09/55/83/523095583.db2.gz DMEKMIZMKITDGM-UHFFFAOYSA-N 0 0 432.546 2.932 50 0 IFAARN COc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)[nH]n2)cc1S(=O)(=O)N(C)C ZINC000021806370 523098907 /nfs/dbraw/zinc/09/89/07/523098907.db2.gz FVOKNKAGNFENIZ-OFQRWUPVSA-N 0 0 434.562 2.890 50 0 IFAARN CCn1c(=O)c2c(nc1SCC(=O)NCc1ccco1)c1cc(OC)ccc1n2C ZINC000033141818 523104337 /nfs/dbraw/zinc/10/43/37/523104337.db2.gz GIUCCRCWFMPIHM-UHFFFAOYSA-N 0 0 426.498 2.918 50 0 IFAARN COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccc(-c4ccc(=O)[nH]n4)cc3)n2)cc1 ZINC000042381021 523128842 /nfs/dbraw/zinc/12/88/42/523128842.db2.gz HUKADJHENMOPBM-HNNXBMFYSA-N 0 0 443.463 2.869 50 0 IFAARN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCN2CCOCC2)cc1OC ZINC000012727971 523141361 /nfs/dbraw/zinc/14/13/61/523141361.db2.gz LONNUQLINWHHMO-UHFFFAOYSA-N 0 0 436.512 2.619 50 0 IFAARN CCn1c(CCC(N)=O)nn(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=S ZINC000012555436 523180349 /nfs/dbraw/zinc/18/03/49/523180349.db2.gz VWMNEQRDGGPREQ-UHFFFAOYSA-N 0 0 442.511 2.650 50 0 IFAARN COC(=O)CNC(=O)Nc1cc(C(=O)NCc2ccc(OC)cc2)ccc1N1CCCC1 ZINC000021050131 523194325 /nfs/dbraw/zinc/19/43/25/523194325.db2.gz AIXVCVCUJQZDEC-UHFFFAOYSA-N 0 0 440.500 2.520 50 0 IFAARN CCn1c(SCC(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccco1 ZINC000023763503 523232047 /nfs/dbraw/zinc/23/20/47/523232047.db2.gz PTJUNBQCRPSWAQ-KBPBESRZSA-N 0 0 449.533 2.598 50 0 IFAARN CCn1c(SCC(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccco1 ZINC000023763508 523232800 /nfs/dbraw/zinc/23/28/00/523232800.db2.gz PTJUNBQCRPSWAQ-ZIAGYGMSSA-N 0 0 449.533 2.598 50 0 IFAARN CCn1c(SCc2cc3c(cc2Br)OCCO3)nnc1N1CCOCC1 ZINC000022093052 523240987 /nfs/dbraw/zinc/24/09/87/523240987.db2.gz RSISFYVTDDNJFI-UHFFFAOYSA-N 0 0 441.351 2.961 50 0 IFAARN CCn1c2cc3c(cc2sc1=NC(=O)CS(=O)(=O)Cc1ccccc1)OCCO3 ZINC000012311027 523258996 /nfs/dbraw/zinc/25/89/96/523258996.db2.gz ZMZFSXBMPMLVKT-QZQOTICOSA-N 0 0 432.523 2.536 50 0 IFAARN COCCCN1C(=O)C[C@@](CC(=O)N(CC2CC2)C[C@H]2CCCO2)(c2ccccc2)C1=O ZINC000012098583 523285110 /nfs/dbraw/zinc/28/51/10/523285110.db2.gz XAYMMWNXGJIZIK-BWKNWUBXSA-N 0 0 442.556 2.528 50 0 IFAARN COCCCN1C(=O)C[C@@](CC(=O)N(C)C2CCCCC2)(c2ccccc2OC)C1=O ZINC000012165252 523285798 /nfs/dbraw/zinc/28/57/98/523285798.db2.gz RLSGNRYDRHMZPH-DEOSSOPVSA-N 0 0 430.545 2.910 50 0 IFAARN COc1ccc(-c2noc(CN3CCN(C(=O)COc4cccc(F)c4)CC3)n2)cc1 ZINC000012783956 523287502 /nfs/dbraw/zinc/28/75/02/523287502.db2.gz UXYPMSRVCMVCGP-UHFFFAOYSA-N 0 0 426.448 2.608 50 0 IFAARN COc1ccc(-c2noc(CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1OC ZINC000012614090 523288199 /nfs/dbraw/zinc/28/81/99/523288199.db2.gz HYJLBGVKBLFVPN-QGZVFWFLSA-N 0 0 447.451 2.898 50 0 IFAARN COc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c(c2=O)SCC3)cc1OC ZINC000012140665 523319767 /nfs/dbraw/zinc/31/97/67/523319767.db2.gz NMGXWSDCJGHVTG-UHFFFAOYSA-N 0 0 433.555 2.612 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000036041592 523352326 /nfs/dbraw/zinc/35/23/26/523352326.db2.gz YGJYNGRWRYQLOK-FCHUYYIVSA-N 0 0 426.513 2.712 50 0 IFAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CSc2nncn2C)cc1 ZINC000012718825 523352998 /nfs/dbraw/zinc/35/29/98/523352998.db2.gz WDSQEYBXBZMICN-QGZVFWFLSA-N 0 0 426.546 2.931 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1cc(OC)ccc1OC ZINC000036045410 523355326 /nfs/dbraw/zinc/35/53/26/523355326.db2.gz QUEVYXDBCUYJRJ-ZWKOTPCHSA-N 0 0 432.542 2.774 50 0 IFAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCCN3CCCC3=O)CC2)c2ccccc2O1 ZINC000020902384 523394622 /nfs/dbraw/zinc/39/46/22/523394622.db2.gz JPYXFVYQINZQMJ-LJQANCHMSA-N 0 0 442.560 2.625 50 0 IFAARN CC[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2c([O-])[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)[NH2+]1 ZINC000012892336 523406093 /nfs/dbraw/zinc/40/60/93/523406093.db2.gz ORSQOPFGRYPMEL-YEJXKQKISA-N 0 0 432.480 2.735 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3cc(C)ccc3C)c(C)cc2NC1=O ZINC000035453104 523417135 /nfs/dbraw/zinc/41/71/35/523417135.db2.gz LRTJMUMZEYIAFV-GOSISDBHSA-N 0 0 445.541 2.981 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccccc1C ZINC000021713682 523486878 /nfs/dbraw/zinc/48/68/78/523486878.db2.gz CEYWBQHDTOSEOB-UHFFFAOYSA-N 0 0 435.459 2.514 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cc(C)cc(C)c1 ZINC000021713742 523487019 /nfs/dbraw/zinc/48/70/19/523487019.db2.gz SSQJESMZDHDSAD-UHFFFAOYSA-N 0 0 431.496 2.683 50 0 IFAARN COCCN(C(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1COC)C(C)C ZINC000014974556 523558196 /nfs/dbraw/zinc/55/81/96/523558196.db2.gz ZHQDPENRWXCEDL-UHFFFAOYSA-N 0 0 439.516 2.981 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC(C(=O)N3CC=C(c4ccccc4)CC3)CC2)c1 ZINC000035428638 523564715 /nfs/dbraw/zinc/56/47/15/523564715.db2.gz USHMKZUHZDWPCC-UHFFFAOYSA-N 0 0 428.558 2.620 50 0 IFAARN COc1ccc(C(=O)CCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1OC ZINC000012789771 523577260 /nfs/dbraw/zinc/57/72/60/523577260.db2.gz CWHAOVSPWOFNLX-FQEVSTJZSA-N 0 0 444.503 2.996 50 0 IFAARN CC[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2c([O-])[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)[NH2+]1 ZINC000012892330 523588289 /nfs/dbraw/zinc/58/82/89/523588289.db2.gz ORSQOPFGRYPMEL-LRTDBIEQSA-N 0 0 432.480 2.735 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)cc1 ZINC000041157930 523597480 /nfs/dbraw/zinc/59/74/80/523597480.db2.gz FOMOXFIJVFWWSG-NHCUHLMSSA-N 0 0 426.513 2.740 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1)C(C)=O ZINC000035961087 523650638 /nfs/dbraw/zinc/65/06/38/523650638.db2.gz KCUPVDUJPGBOLX-JOCHJYFZSA-N 0 0 439.512 2.876 50 0 IFAARN CCc1[nH]c(C(=O)O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)c(C)c1C(=O)OC ZINC000012533354 523660005 /nfs/dbraw/zinc/66/00/05/523660005.db2.gz JQAUEBUWVYFQBK-INIZCTEOSA-N 0 0 427.501 2.566 50 0 IFAARN COC(=O)[C@@H]1CCCN1C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(Cc2ccccc2)C1=O ZINC000012205728 523691715 /nfs/dbraw/zinc/69/17/15/523691715.db2.gz KUFHBLHLOLCCCO-LVXARBLLSA-N 0 0 448.519 2.746 50 0 IFAARN CCc1cc(C(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3cccc(OC)c3)C2)n(C)n1 ZINC000014532114 523751408 /nfs/dbraw/zinc/75/14/08/523751408.db2.gz FTYNPFPJKWCOPC-OAQYLSRUSA-N 0 0 442.560 2.517 50 0 IFAARN COc1ccc(C(=O)OCc2cn3cc(C)ccc3n2)cc1S(=O)(=O)N1CCCC1 ZINC000012520256 523772300 /nfs/dbraw/zinc/77/23/00/523772300.db2.gz DODNJBBNOYKTIZ-UHFFFAOYSA-N 0 0 429.498 2.793 50 0 IFAARN COc1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1OC ZINC000021670238 523775699 /nfs/dbraw/zinc/77/56/99/523775699.db2.gz FWYHFYITVBULFA-DNQXCXABSA-N 0 0 440.540 2.661 50 0 IFAARN COc1ccc(C(O)=C2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000036056657 523777736 /nfs/dbraw/zinc/77/77/36/523777736.db2.gz PRTCGQRTMLEBJQ-FRQCXROJSA-N 0 0 438.358 2.528 50 0 IFAARN COc1ccc(C(O)=C2[C@H](c3ccc(O)c(OC)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035092927 523777887 /nfs/dbraw/zinc/77/78/87/523777887.db2.gz MFKHXFHMYVBDGS-TXPKVOOTSA-N 0 0 440.374 2.513 50 0 IFAARN CCc1cc(CC)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)n1 ZINC000012232109 523785657 /nfs/dbraw/zinc/78/56/57/523785657.db2.gz WJFRCYQNUGDHDM-UHFFFAOYSA-N 0 0 444.898 2.585 50 0 IFAARN COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccnn3C)nc21 ZINC000012444208 523797652 /nfs/dbraw/zinc/79/76/52/523797652.db2.gz NNESLGHBRXZLKH-UHFFFAOYSA-N 0 0 429.546 2.716 50 0 IFAARN CN(C(=O)CSC[C@H](O)[C@H](O)CSCC(=O)N(C)c1ccccc1)c1ccccc1 ZINC000012414115 523838308 /nfs/dbraw/zinc/83/83/08/523838308.db2.gz FVVYERYGDIUBDS-BGYRXZFFSA-N 0 0 448.610 2.501 50 0 IFAARN CCc1cc2c(ncn(CC(=O)Nc3ccc(S(=O)(=O)N(CC)CC)cc3)c2=O)s1 ZINC000012765378 523847186 /nfs/dbraw/zinc/84/71/86/523847186.db2.gz QJICEARZXHJDQA-UHFFFAOYSA-N 0 0 448.570 2.690 50 0 IFAARN COc1ccc(C2=C(C)C(=O)N(CC(=O)NCc3ccc(Cl)cc3)S2(=O)=O)cc1 ZINC000035534596 523869641 /nfs/dbraw/zinc/86/96/41/523869641.db2.gz JIQNRNOVNYDQDV-UHFFFAOYSA-N 0 0 434.901 2.568 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000023844637 523874777 /nfs/dbraw/zinc/87/47/77/523874777.db2.gz DEISBHXEQLXUFD-GOSISDBHSA-N 0 0 436.468 2.831 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)[C@H](c3ccco3)C2)cc1 ZINC000023844641 523875101 /nfs/dbraw/zinc/87/51/01/523875101.db2.gz DEISBHXEQLXUFD-SFHVURJKSA-N 0 0 436.468 2.831 50 0 IFAARN CC[C@H](C)CN1C(=O)CNC12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027249 523879737 /nfs/dbraw/zinc/87/97/37/523879737.db2.gz RDYDPLMXGNHDEO-ZDUSSCGKSA-N 0 0 434.389 2.952 50 0 IFAARN COCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000012285237 523891324 /nfs/dbraw/zinc/89/13/24/523891324.db2.gz ONDDZYYXVZIQFQ-UHFFFAOYSA-N 0 0 433.368 2.535 50 0 IFAARN COc1ccc(CC(=O)Nc2cccc3c2CCCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000015302680 523911130 /nfs/dbraw/zinc/91/11/30/523911130.db2.gz KZOQAWXGNJIJMZ-UHFFFAOYSA-N 0 0 444.553 2.776 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC1 ZINC000012904231 523914871 /nfs/dbraw/zinc/91/48/71/523914871.db2.gz VNXXJPSZWPOZPZ-UHFFFAOYSA-N 0 0 439.537 2.793 50 0 IFAARN COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)N(C)CCc2ccccc2)c1=O ZINC000012213895 523928344 /nfs/dbraw/zinc/92/83/44/523928344.db2.gz LYBODESMQQALPX-UHFFFAOYSA-N 0 0 427.545 2.585 50 0 IFAARN COCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)c(Br)c2)c1 ZINC000012604572 523928613 /nfs/dbraw/zinc/92/86/13/523928613.db2.gz LNWYJHXUSDRBMV-UHFFFAOYSA-N 0 0 443.319 2.635 50 0 IFAARN COCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](C)N2C1=O ZINC000012880859 523929025 /nfs/dbraw/zinc/92/90/25/523929025.db2.gz DWAPMTSAHUFLLD-VLIAUNLRSA-N 0 0 432.480 2.999 50 0 IFAARN COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)CC2=O)cc1OC ZINC000020728960 523951210 /nfs/dbraw/zinc/95/12/10/523951210.db2.gz QPUIZUIZPSPLQY-INIZCTEOSA-N 0 0 428.485 2.751 50 0 IFAARN CCc1ccc(N2C[C@H](C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)CC2=O)cc1 ZINC000012860645 523964756 /nfs/dbraw/zinc/96/47/56/523964756.db2.gz OCYOANJQAUQUSY-OFNKIYASSA-N 0 0 439.531 2.931 50 0 IFAARN COc1ccc(CCNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)cc1OC ZINC000021049347 523969377 /nfs/dbraw/zinc/96/93/77/523969377.db2.gz HJVWLOPOXMCVTN-UHFFFAOYSA-N 0 0 448.523 2.919 50 0 IFAARN COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1C ZINC000040131250 523971655 /nfs/dbraw/zinc/97/16/55/523971655.db2.gz CVWLAGTXUNGVHF-MRXNPFEDSA-N 0 0 425.489 2.849 50 0 IFAARN CN1CCc2c(sc3nc(NCCOCCO)n(-c4cccc(Cl)c4)c(=O)c32)C1 ZINC000020444074 523995861 /nfs/dbraw/zinc/99/58/61/523995861.db2.gz PKHOXNOYKUFRCT-UHFFFAOYSA-N 0 0 434.949 2.509 50 0 IFAARN COc1ccc(CN(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2cccnc2)cc1 ZINC000016953719 524011521 /nfs/dbraw/zinc/01/15/21/524011521.db2.gz KZIGYDQFUGLLKY-UHFFFAOYSA-N 0 0 437.521 2.870 50 0 IFAARN COc1ccc(CN(Cc2nc(-c3ccc(OC)cc3)no2)S(=O)(=O)N(C)C)cc1 ZINC000033428902 524015585 /nfs/dbraw/zinc/01/55/85/524015585.db2.gz UCXRQSPBKNHVDD-UHFFFAOYSA-N 0 0 432.502 2.562 50 0 IFAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC000015942852 524021893 /nfs/dbraw/zinc/02/18/93/524021893.db2.gz VPRJZSXSPJMNAC-PBHICJAKSA-N 0 0 443.525 2.743 50 0 IFAARN COc1ccc(CN2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)cc1OC ZINC000022916531 524033057 /nfs/dbraw/zinc/03/30/57/524033057.db2.gz SQUXNHLDZISKMH-UHFFFAOYSA-N 0 0 428.920 2.912 50 0 IFAARN COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(C(=O)c3ccccn3)CC2=O)cc1 ZINC000014542415 524041218 /nfs/dbraw/zinc/04/12/18/524041218.db2.gz UFYQCAGDZGESAO-JOCHJYFZSA-N 0 0 446.507 2.555 50 0 IFAARN COc1ccc(CNC(=O)CCCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000021640537 524047490 /nfs/dbraw/zinc/04/74/90/524047490.db2.gz QGQUQFZZXRPRDY-UHFFFAOYSA-N 0 0 435.459 2.667 50 0 IFAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)c(OC)c1 ZINC000012745205 524047798 /nfs/dbraw/zinc/04/77/98/524047798.db2.gz PJDQHTIZSRCNNB-KRWDZBQOSA-N 0 0 432.517 2.617 50 0 IFAARN COc1ccc(CNC(=O)CCc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1 ZINC000021540461 524048666 /nfs/dbraw/zinc/04/86/66/524048666.db2.gz WFQMKEXXNMOTFK-UHFFFAOYSA-N 0 0 431.496 2.755 50 0 IFAARN COc1ccc(CNC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 ZINC000012233037 524054295 /nfs/dbraw/zinc/05/42/95/524054295.db2.gz CIENMKHSIXRLOK-QGZVFWFLSA-N 0 0 447.520 2.944 50 0 IFAARN COc1ccc(CNC(=O)Cn2ccc3c(c(C)nn3-c3ccccc3)c2=O)cc1OC ZINC000033298797 524055937 /nfs/dbraw/zinc/05/59/37/524055937.db2.gz PGKOHZULFUTLDS-UHFFFAOYSA-N 0 0 432.480 2.829 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)N(C)Cc2ccc(OC)c(OC)c2OC)cc1OC ZINC000012872603 524062214 /nfs/dbraw/zinc/06/22/14/524062214.db2.gz DBLVJGNIRUFKKO-OAHLLOKOSA-N 0 0 432.517 2.866 50 0 IFAARN CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@H](C)O2 ZINC000035452752 524062835 /nfs/dbraw/zinc/06/28/35/524062835.db2.gz OJEGHJCPSURKTA-HNNXBMFYSA-N 0 0 445.541 2.844 50 0 IFAARN COc1ccc(C[C@@H](C)NS(=O)(=O)c2cc3c4c(c2)c(C)cc(=O)n4CC3)cc1OC ZINC000012444917 524138157 /nfs/dbraw/zinc/13/81/57/524138157.db2.gz GYLOXQCAFZBLLX-OAHLLOKOSA-N 0 0 442.537 2.793 50 0 IFAARN C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012631714 524143791 /nfs/dbraw/zinc/14/37/91/524143791.db2.gz STSYDKZAZRNIJR-MJBXVCDLSA-N 0 0 434.890 2.900 50 0 IFAARN Cc1cccc(-n2ncc3c2nc2n(c3=O)[C@H](CC(=O)NCc3ccncc3)CS2)c1 ZINC000012663946 524149103 /nfs/dbraw/zinc/14/91/03/524149103.db2.gz DIEIZJPMGOLMGZ-QGZVFWFLSA-N 0 0 432.509 2.639 50 0 IFAARN COc1ccc(Cc2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCOCC3)no2)cc1 ZINC000035460449 524164318 /nfs/dbraw/zinc/16/43/18/524164318.db2.gz UIJSQQCBFCHZDJ-UHFFFAOYSA-N 0 0 447.495 2.935 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)c1 ZINC000012913375 524190763 /nfs/dbraw/zinc/19/07/63/524190763.db2.gz CQUGFPRHYGXHFD-UHFFFAOYSA-N 0 0 446.960 2.700 50 0 IFAARN COc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C/N[C@H]2CCS(=O)(=O)C2)C1=O ZINC000020518893 524217040 /nfs/dbraw/zinc/21/70/40/524217040.db2.gz ZEOGUKMKGRHJSY-FMNVXAMXSA-N 0 0 446.912 2.653 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)CN1CCCN(Cc2ccc(F)cc2)S1(=O)=O ZINC000020996616 524241462 /nfs/dbraw/zinc/24/14/62/524241462.db2.gz YJWKZCCUSASMRF-GOSISDBHSA-N 0 0 433.549 2.716 50 0 IFAARN C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(CC(=O)NC2CC2)CC1 ZINC000022932663 524242363 /nfs/dbraw/zinc/24/23/63/524242363.db2.gz WOXHYZIZWQHYIN-LBPRGKRZSA-N 0 0 432.874 2.582 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cn2c(=O)c(=O)[nH]c3cccnc32)cc1 ZINC000021881808 524245639 /nfs/dbraw/zinc/24/56/39/524245639.db2.gz DYYYCTRCPDOEIG-QGZVFWFLSA-N 0 0 428.492 2.884 50 0 IFAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccc3c(c2)OCCO3)ccc1=O ZINC000021785808 524265151 /nfs/dbraw/zinc/26/51/51/524265151.db2.gz PMQKHYGMFNPMIQ-AWEZNQCLSA-N 0 0 435.436 2.652 50 0 IFAARN COc1ccc(Cn2nccc2NC(=O)CCNC(=O)c2ccccc2OC)c(OC)c1 ZINC000021837298 524266002 /nfs/dbraw/zinc/26/60/02/524266002.db2.gz SWDTVLIPIAWSGG-UHFFFAOYSA-N 0 0 438.484 2.716 50 0 IFAARN COc1ccc(F)c(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)c1 ZINC000020452450 524271623 /nfs/dbraw/zinc/27/16/23/524271623.db2.gz CZTKDXOWGMOFMJ-UHFFFAOYSA-N 0 0 427.455 2.553 50 0 IFAARN COc1ccccc1N1C(=S)N=NC1CNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000016974209 524299395 /nfs/dbraw/zinc/29/93/95/524299395.db2.gz QZYLUZDJXCCMCH-UHFFFAOYSA-N 0 0 430.486 2.520 50 0 IFAARN COc1ccccc1-n1cnnc1CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000077100530 524305913 /nfs/dbraw/zinc/30/59/13/524305913.db2.gz GMIYANOZKSTIQM-UHFFFAOYSA-N 0 0 440.935 2.686 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c(C)c1 ZINC000012796694 524316708 /nfs/dbraw/zinc/31/67/08/524316708.db2.gz RUMKYZYHJUCKBT-GOSISDBHSA-N 0 0 430.526 2.810 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)c(C)c1 ZINC000012771861 524317241 /nfs/dbraw/zinc/31/72/41/524317241.db2.gz PNACENNMIAHEJN-UHFFFAOYSA-N 0 0 426.538 2.921 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)c(C)c1 ZINC000012931441 524318139 /nfs/dbraw/zinc/31/81/39/524318139.db2.gz HXUTUFCMFADHEP-QFIPXVFZSA-N 0 0 441.597 2.938 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)c(C)c1 ZINC000034889291 524318611 /nfs/dbraw/zinc/31/86/11/524318611.db2.gz FBPZIPSMHQFHHV-FQEVSTJZSA-N 0 0 429.586 2.970 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c(C)c1 ZINC000022851176 524320498 /nfs/dbraw/zinc/32/04/98/524320498.db2.gz QTKISAWFEHVDFT-IBGZPJMESA-N 0 0 432.542 2.692 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c(C)c1 ZINC000012605554 524325207 /nfs/dbraw/zinc/32/52/07/524325207.db2.gz NKSNZHWLNKAASA-UHFFFAOYSA-N 0 0 425.576 2.729 50 0 IFAARN Cc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 ZINC000012863080 524362545 /nfs/dbraw/zinc/36/25/45/524362545.db2.gz XNOZQNINWNPSTE-UHFFFAOYSA-N 0 0 430.570 2.916 50 0 IFAARN COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000012687631 524380162 /nfs/dbraw/zinc/38/01/62/524380162.db2.gz NHEYOQGVLAJTRE-UHFFFAOYSA-N 0 0 442.459 2.790 50 0 IFAARN COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)Nc1ccccc1Br ZINC000012201445 524384760 /nfs/dbraw/zinc/38/47/60/524384760.db2.gz XPYNFLQIIMEKNQ-UHFFFAOYSA-N 0 0 439.287 2.912 50 0 IFAARN COc1ccccc1CCC(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000023076350 524397836 /nfs/dbraw/zinc/39/78/36/524397836.db2.gz LEHRHMDJUKSKAG-KRWDZBQOSA-N 0 0 437.496 2.996 50 0 IFAARN COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCc1ccc(OC)c(OC)c1 ZINC000022506218 524405248 /nfs/dbraw/zinc/40/52/48/524405248.db2.gz ZCZVWDXIFJHQBY-UHFFFAOYSA-N 0 0 435.502 2.574 50 0 IFAARN Cc1cc(C)cc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000020928006 524410563 /nfs/dbraw/zinc/41/05/63/524410563.db2.gz RUFSMOPGUVWYGK-QFIPXVFZSA-N 0 0 435.590 2.509 50 0 IFAARN C[C@H]1CCc2c(sc3ncn(C[C@@H](O)COCc4ccc5c(c4)OCO5)c(=O)c32)C1 ZINC000012910285 524438000 /nfs/dbraw/zinc/43/80/00/524438000.db2.gz JXFGKSKJNKSNLU-DZGCQCFKSA-N 0 0 428.510 2.889 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4nc(C)cs4)CC3)CC2=O)cc1 ZINC000012391780 524445525 /nfs/dbraw/zinc/44/55/25/524445525.db2.gz HNGBNDXDBYCFJD-MRXNPFEDSA-N 0 0 442.541 2.690 50 0 IFAARN COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl ZINC000012850049 524480757 /nfs/dbraw/zinc/48/07/57/524480757.db2.gz MLLPAEBVQIHGOW-UHFFFAOYSA-N 0 0 440.905 2.817 50 0 IFAARN COc1ccc(NC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)cc1OC ZINC000035556521 524487494 /nfs/dbraw/zinc/48/74/94/524487494.db2.gz BLZROXXJYGZZSG-UHFFFAOYSA-N 0 0 435.488 2.824 50 0 IFAARN C[C@H]1CN(C(=O)Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)C[C@H](C)O1 ZINC000022767993 524490311 /nfs/dbraw/zinc/49/03/11/524490311.db2.gz VKKSFYXICDLINX-KBPBESRZSA-N 0 0 441.919 2.749 50 0 IFAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c(OC)c1 ZINC000001076861 524491453 /nfs/dbraw/zinc/49/14/53/524491453.db2.gz VMEVOXCVFDBAMI-UHFFFAOYSA-N 0 0 428.894 2.625 50 0 IFAARN C[C@H](CNS(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1)c1ccccc1 ZINC000020933266 524491573 /nfs/dbraw/zinc/49/15/73/524491573.db2.gz BVEODHBMAUKXKH-MRXNPFEDSA-N 0 0 435.505 2.960 50 0 IFAARN COc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C ZINC000012815704 524504219 /nfs/dbraw/zinc/50/42/19/524504219.db2.gz CKFDQUUKBKQQKL-UHFFFAOYSA-N 0 0 432.420 2.982 50 0 IFAARN Cc1ccc(CNC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)cc1 ZINC000012447712 524512262 /nfs/dbraw/zinc/51/22/62/524512262.db2.gz MOEANBOFJZYTQT-UHFFFAOYSA-N 0 0 428.492 2.789 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)cc1OC ZINC000020259135 524527461 /nfs/dbraw/zinc/52/74/61/524527461.db2.gz DLWQPQNGRFINND-UHFFFAOYSA-N 0 0 435.480 2.893 50 0 IFAARN Cc1cc(C)n(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)n1 ZINC000012438138 524529188 /nfs/dbraw/zinc/52/91/88/524529188.db2.gz GCVXYFUINMDPHF-XMMPIXPASA-N 0 0 445.567 2.674 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)cc1OC ZINC000012237785 524531444 /nfs/dbraw/zinc/53/14/44/524531444.db2.gz MDFXMDUZFYONLZ-UHFFFAOYSA-N 0 0 433.468 2.855 50 0 IFAARN Cc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCC2)c1C ZINC000021528399 524532031 /nfs/dbraw/zinc/53/20/31/524532031.db2.gz IPMPADRUALTLRL-JOCHJYFZSA-N 0 0 435.590 2.509 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccccc4c3=O)C[C@H]2C)c1 ZINC000020616810 524543594 /nfs/dbraw/zinc/54/35/94/524543594.db2.gz FQUVMAYGIZJFBL-LJQANCHMSA-N 0 0 434.540 2.906 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CCC2=NS(=O)(=O)c3ccc(C)cc3N2)CC1 ZINC000021880522 524544070 /nfs/dbraw/zinc/54/40/70/524544070.db2.gz XROHFQCPICWFLK-UHFFFAOYSA-N 0 0 442.541 2.645 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2nn(-c3ccccc3C)c(=O)cc2OC)CC1 ZINC000017136142 524553984 /nfs/dbraw/zinc/55/39/84/524553984.db2.gz ATRVMWYKSSOLFZ-UHFFFAOYSA-N 0 0 434.496 2.521 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)CC1 ZINC000020577759 524559928 /nfs/dbraw/zinc/55/99/28/524559928.db2.gz DFPUWENISDTDBK-UHFFFAOYSA-N 0 0 427.526 2.952 50 0 IFAARN COc1ccc(NC(=O)NCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000012854413 524560830 /nfs/dbraw/zinc/56/08/30/524560830.db2.gz DSSXQKRBCZGKCK-UHFFFAOYSA-N 0 0 446.529 2.630 50 0 IFAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)Nc3cc(C)cc(C)c3)n2)CC1 ZINC000035375416 524564168 /nfs/dbraw/zinc/56/41/68/524564168.db2.gz NKGFNTVEXSXQOQ-UHFFFAOYSA-N 0 0 447.539 2.834 50 0 IFAARN Cc1ccc(CNC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)cc1 ZINC000020240247 524566619 /nfs/dbraw/zinc/56/66/19/524566619.db2.gz FPELQPPUSWGWHI-UHFFFAOYSA-N 0 0 439.537 2.561 50 0 IFAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1C ZINC000020486978 524590869 /nfs/dbraw/zinc/59/08/69/524590869.db2.gz IWGCNZNVQBZJJS-UHFFFAOYSA-N 0 0 429.542 2.817 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N(C)C ZINC000012688625 524594086 /nfs/dbraw/zinc/59/40/86/524594086.db2.gz ALFIDPXNPDBSDM-CQSZACIVSA-N 0 0 441.550 2.531 50 0 IFAARN Cc1cccc(NC(=O)Cn2nc3c(N4CCSCC4)nc4ccccc4n3c2=O)c1 ZINC000035425751 524610509 /nfs/dbraw/zinc/61/05/09/524610509.db2.gz ZTMOWCXESHQNLT-UHFFFAOYSA-N 0 0 434.525 2.545 50 0 IFAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000012632359 524624826 /nfs/dbraw/zinc/62/48/26/524624826.db2.gz PUZWDDOVBCDPBB-OAHLLOKOSA-N 0 0 441.513 2.633 50 0 IFAARN COc1ccc(NC(=O)c2csc3c2CCCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000012550070 524655173 /nfs/dbraw/zinc/65/51/73/524655173.db2.gz XVYXBQRCIRLIDB-UHFFFAOYSA-N 0 0 436.555 2.909 50 0 IFAARN COc1ccccc1OCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012781124 524674347 /nfs/dbraw/zinc/67/43/47/524674347.db2.gz WAOVSSACBWJNSH-UHFFFAOYSA-N 0 0 432.542 2.608 50 0 IFAARN C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000035590445 524677255 /nfs/dbraw/zinc/67/72/55/524677255.db2.gz YWVVOSOOEFJZIF-STQMWFEESA-N 0 0 432.887 2.662 50 0 IFAARN COc1ccccc1S(=O)(=O)N[C@H](CCSC)C(=O)N1CCc2ccccc2C1 ZINC000020886947 524707010 /nfs/dbraw/zinc/70/70/10/524707010.db2.gz QHYMVNGNEVJHDS-GOSISDBHSA-N 0 0 434.583 2.680 50 0 IFAARN Cc1cccc(OCC(=O)NC(=S)Nc2ccc(I)cn2)c1 ZINC000016349807 524717162 /nfs/dbraw/zinc/71/71/62/524717162.db2.gz SIKKBWGLBBBXMG-UHFFFAOYSA-N 0 0 427.267 2.887 50 0 IFAARN COc1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000012235225 524720060 /nfs/dbraw/zinc/72/00/60/524720060.db2.gz IJRJSAKZDNAOOT-UHFFFAOYSA-N 0 0 447.543 2.787 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2cc(OCc3ccccc3C)c(=O)cc2CO)c1 ZINC000012231263 524855925 /nfs/dbraw/zinc/85/59/25/524855925.db2.gz HBOASKFWGGCYKC-UHFFFAOYSA-N 0 0 438.480 2.884 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccc(Cn3ccccc3=O)o2)c1 ZINC000024208621 524864135 /nfs/dbraw/zinc/86/41/35/524864135.db2.gz QFDVUCXISUHDDL-AWEZNQCLSA-N 0 0 426.425 2.691 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)c1 ZINC000035508302 524864650 /nfs/dbraw/zinc/86/46/50/524864650.db2.gz WVCDEYHHPDAYNM-HNNXBMFYSA-N 0 0 435.484 2.980 50 0 IFAARN Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(N3CCCC[C@H]3C)nn2)CC1 ZINC000042379772 524873013 /nfs/dbraw/zinc/87/30/13/524873013.db2.gz BXECVJKTGQPGAX-QGZVFWFLSA-N 0 0 433.553 2.814 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCCC2)c1 ZINC000012197459 524877387 /nfs/dbraw/zinc/87/73/87/524877387.db2.gz ZTFNHTQMGXIWBS-KRWDZBQOSA-N 0 0 434.514 2.548 50 0 IFAARN COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)c3ccno3)nc21 ZINC000012443834 524923675 /nfs/dbraw/zinc/92/36/75/524923675.db2.gz URVTZKIJEYHRSI-UHFFFAOYSA-N 0 0 432.502 2.671 50 0 IFAARN COc1ccc(OCC(=O)NCc2cc(=O)n3nc(-c4ccc(C)cc4)sc3n2)cc1 ZINC000041089858 524935027 /nfs/dbraw/zinc/93/50/27/524935027.db2.gz WFWZIYBCMMXHGH-UHFFFAOYSA-N 0 0 436.493 2.830 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2=O)cc1 ZINC000012760641 524985164 /nfs/dbraw/zinc/98/51/64/524985164.db2.gz SWHZKXPEPSBPAH-QGZVFWFLSA-N 0 0 427.526 2.771 50 0 IFAARN Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021327 524994437 /nfs/dbraw/zinc/99/44/37/524994437.db2.gz UGOIYKQYROUARN-CQSZACIVSA-N 0 0 447.488 2.504 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](C)c1ccc(F)cc1F ZINC000012591282 524999517 /nfs/dbraw/zinc/99/95/17/524999517.db2.gz HUFFURRRVMBHCR-LBPRGKRZSA-N 0 0 427.473 2.513 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncnc2sccc21 ZINC000012769490 524999633 /nfs/dbraw/zinc/99/96/33/524999633.db2.gz NOIPXZZEOABLBW-UHFFFAOYSA-N 0 0 438.556 2.681 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1F ZINC000012798370 525029604 /nfs/dbraw/zinc/02/96/04/525029604.db2.gz XYYLCFSXDFVUPU-UHFFFAOYSA-N 0 0 434.489 2.945 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCc2csc(C)n2)cc1Cl ZINC000033282293 525031068 /nfs/dbraw/zinc/03/10/68/525031068.db2.gz ZURZDZGAQSGBTR-MRXNPFEDSA-N 0 0 443.978 2.626 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1NC(C)=O ZINC000012379581 525034996 /nfs/dbraw/zinc/03/49/96/525034996.db2.gz PQTRKVLNFSZBTM-RMKNXTFCSA-N 0 0 429.542 2.673 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3Cl)CC2)cc1OC ZINC000022089002 525036543 /nfs/dbraw/zinc/03/65/43/525036543.db2.gz VTIAMSIKHJIUCA-UHFFFAOYSA-N 0 0 440.949 2.743 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)c(C)c1C ZINC000012225017 525038740 /nfs/dbraw/zinc/03/87/40/525038740.db2.gz ARCHWVSKTHQCCV-UHFFFAOYSA-N 0 0 434.562 2.709 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1Br ZINC000001013329 525039978 /nfs/dbraw/zinc/03/99/78/525039978.db2.gz ZUBOHRDBMLYCIH-UHFFFAOYSA-N 0 0 441.347 2.977 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1Br ZINC000065488101 525041217 /nfs/dbraw/zinc/04/12/17/525041217.db2.gz QSYINESIGTZLJY-INIZCTEOSA-N 0 0 439.331 2.710 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1c(C)[nH]c2ccccc21 ZINC000012568816 525041365 /nfs/dbraw/zinc/04/13/65/525041365.db2.gz WQMSSPOZIGFSLU-UHFFFAOYSA-N 0 0 429.498 2.758 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(C)c1 ZINC000021531827 525044461 /nfs/dbraw/zinc/04/44/61/525044461.db2.gz PBXOGCYQGAHETI-UHFFFAOYSA-N 0 0 433.555 2.997 50 0 IFAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000022560800 525045234 /nfs/dbraw/zinc/04/52/34/525045234.db2.gz ONRUCTLSVQYHKA-MRXNPFEDSA-N 0 0 437.496 2.517 50 0 IFAARN Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(OCC(F)(F)F)nc3)CC2)cc1 ZINC000012805346 525052213 /nfs/dbraw/zinc/05/22/13/525052213.db2.gz MKUZJWVRLHCINI-UHFFFAOYSA-N 0 0 436.434 2.728 50 0 IFAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCC(C)C)COC12CCN(C(=O)C(C)(C)C)CC2 ZINC000035987839 525052235 /nfs/dbraw/zinc/05/22/35/525052235.db2.gz PATLSDYIULWDON-HXUWFJFHSA-N 0 0 443.588 2.973 50 0 IFAARN Cc1ccccc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(S(C)(=O)=O)cc3)C2)o1 ZINC000033291427 525065262 /nfs/dbraw/zinc/06/52/62/525065262.db2.gz HXQSEABDWCXFDA-AWEZNQCLSA-N 0 0 440.481 2.554 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N(C)C ZINC000012566182 525065654 /nfs/dbraw/zinc/06/56/54/525065654.db2.gz WNECYUPJCUFSHF-UHFFFAOYSA-N 0 0 434.558 2.943 50 0 IFAARN Cc1cc(N2CCOCC2)nc(SCc2cccc(C(=O)NC[C@H]3CCCO3)c2)n1 ZINC000036026116 525085839 /nfs/dbraw/zinc/08/58/39/525085839.db2.gz FTARVHPQVYJINA-LJQANCHMSA-N 0 0 428.558 2.823 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000022802247 525105997 /nfs/dbraw/zinc/10/59/97/525105997.db2.gz FKNDOFYQBWGCHH-OAQYLSRUSA-N 0 0 444.579 2.951 50 0 IFAARN Cc1ccccc1CCNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O ZINC000021944441 525110666 /nfs/dbraw/zinc/11/06/66/525110666.db2.gz FQRVXOQBBIRZBL-UHFFFAOYSA-N 0 0 427.504 2.879 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1 ZINC000021896645 525160490 /nfs/dbraw/zinc/16/04/90/525160490.db2.gz WMCQFYHXUQRGLY-UHFFFAOYSA-N 0 0 436.555 2.724 50 0 IFAARN COc1ccc([C@@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)N2CCOCC2)cc1 ZINC000023818479 525181620 /nfs/dbraw/zinc/18/16/20/525181620.db2.gz CZXTWSJAXQSLDH-TZIWHRDSSA-N 0 0 441.553 2.688 50 0 IFAARN Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)[C@H](C)Oc2ccccc2)c1=O ZINC000012072148 525211208 /nfs/dbraw/zinc/21/12/08/525211208.db2.gz VSYKUDGNCQUXGT-SFHVURJKSA-N 0 0 431.496 2.533 50 0 IFAARN Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)CSCc2ccccc2)c1=O ZINC000012072161 525211966 /nfs/dbraw/zinc/21/19/66/525211966.db2.gz HNEWYBDXTYIECL-UHFFFAOYSA-N 0 0 447.564 2.999 50 0 IFAARN Cc1ccccc1Cn1ccc(=O)n(CC(=O)Nc2ccc(Br)cc2)c1=O ZINC000033330950 525212253 /nfs/dbraw/zinc/21/22/53/525212253.db2.gz ZVPIAKCUJSQIRI-UHFFFAOYSA-N 0 0 428.286 2.768 50 0 IFAARN Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)[C@@H](C)Oc2ccccc2)c1=O ZINC000012072147 525212321 /nfs/dbraw/zinc/21/23/21/525212321.db2.gz VSYKUDGNCQUXGT-GOSISDBHSA-N 0 0 431.496 2.533 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)C1 ZINC000022295291 525212860 /nfs/dbraw/zinc/21/28/60/525212860.db2.gz RNFVIONDHHBPMU-ZIAGYGMSSA-N 0 0 430.530 2.718 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)C1 ZINC000020935877 525213880 /nfs/dbraw/zinc/21/38/80/525213880.db2.gz LUAMKNPTIHYURN-ZIAGYGMSSA-N 0 0 431.489 2.684 50 0 IFAARN Cc1ccccc1NC(=O)N1CCN(Cc2nc3cc(C(=O)N(C)C)ccc3n2C)CC1 ZINC000033275743 525249361 /nfs/dbraw/zinc/24/93/61/525249361.db2.gz FAPLXVJDSLYTTN-UHFFFAOYSA-N 0 0 434.544 2.933 50 0 IFAARN Cc1ccc(NC(=O)c2cnc(SCC(=O)NCCc3ccccc3)n(C)c2=O)cc1 ZINC000012236875 525252908 /nfs/dbraw/zinc/25/29/08/525252908.db2.gz YPZJDRZZMRZSEC-UHFFFAOYSA-N 0 0 436.537 2.792 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)cc1 ZINC000012527113 525256187 /nfs/dbraw/zinc/25/61/87/525256187.db2.gz DVULFOWQAMGPAJ-UHFFFAOYSA-N 0 0 447.538 2.824 50 0 IFAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000012771507 525256903 /nfs/dbraw/zinc/25/69/03/525256903.db2.gz OTYKCKLWVIWIIV-GOSISDBHSA-N 0 0 438.528 2.521 50 0 IFAARN CS(=O)(=O)c1ccc(Nc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 ZINC000035596763 525259857 /nfs/dbraw/zinc/25/98/57/525259857.db2.gz HAXFRQIIIFWQHY-UHFFFAOYSA-N 0 0 431.495 2.949 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(-n4cnnn4)ccc3Cl)sc2c1 ZINC000012391242 525266491 /nfs/dbraw/zinc/26/64/91/525266491.db2.gz UERYNHKUVIOKCJ-UHFFFAOYSA-N 0 0 434.890 2.581 50 0 IFAARN CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)CCc4ccccc4)CC3)sc2c1 ZINC000012495601 525266677 /nfs/dbraw/zinc/26/66/77/525266677.db2.gz FIEYWFAIBTWZOP-UHFFFAOYSA-N 0 0 429.567 2.981 50 0 IFAARN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000012525778 525270718 /nfs/dbraw/zinc/27/07/18/525270718.db2.gz ANMYXRVISZUENA-UHFFFAOYSA-N 0 0 441.553 2.799 50 0 IFAARN COc1ccc([C@@]2(CC(=O)N(C)C3CCOCC3)CC(=O)N(C3CCCC3)C2=O)cc1 ZINC000012470640 525285573 /nfs/dbraw/zinc/28/55/73/525285573.db2.gz PVCUUEZCEXVVPK-XMMPIXPASA-N 0 0 428.529 2.662 50 0 IFAARN COc1ccc([C@H](CNC(=O)[C@H]2CCCN2C(=O)c2cccs2)N2CCOCC2)cc1 ZINC000016045429 525357188 /nfs/dbraw/zinc/35/71/88/525357188.db2.gz PGDPJKNMADOCOZ-UXHICEINSA-N 0 0 443.569 2.551 50 0 IFAARN COc1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c2nccn2C)cc1 ZINC000012520717 525370140 /nfs/dbraw/zinc/37/01/40/525370140.db2.gz JSMWBORMYIOSOA-FQEVSTJZSA-N 0 0 442.541 2.507 50 0 IFAARN COc1ccc([C@H]([C@@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC ZINC000020191925 525380745 /nfs/dbraw/zinc/38/07/45/525380745.db2.gz AUNVLATUOFSGJT-YADHBBJMSA-N 0 0 446.569 2.722 50 0 IFAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1C ZINC000012755194 525390426 /nfs/dbraw/zinc/39/04/26/525390426.db2.gz KREAKZWGAFQYNH-UHFFFAOYSA-N 0 0 429.542 2.862 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)c(C)s1 ZINC000015071928 525395769 /nfs/dbraw/zinc/39/57/69/525395769.db2.gz ZTLOVOBRLGJRBU-SFHVURJKSA-N 0 0 442.628 2.885 50 0 IFAARN Cc1nc(SCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)[nH]c1Cc1ccccc1 ZINC000012532120 525412794 /nfs/dbraw/zinc/41/27/94/525412794.db2.gz BRPZMFAOPFAAIQ-AWEZNQCLSA-N 0 0 444.582 2.926 50 0 IFAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)ccc1F ZINC000012585013 525421288 /nfs/dbraw/zinc/42/12/88/525421288.db2.gz FFURCXJCZZEJPG-UHFFFAOYSA-N 0 0 449.548 2.776 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000016050815 525441617 /nfs/dbraw/zinc/44/16/17/525441617.db2.gz NCLHSJCAHFIQSX-KGLIPLIRSA-N 0 0 439.493 2.718 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C ZINC000018668172 525441705 /nfs/dbraw/zinc/44/17/05/525441705.db2.gz CJBLKADRYPFCAN-KGLIPLIRSA-N 0 0 432.571 2.946 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n([C@H](C)c2ccccc2)c1=O ZINC000020757526 525485816 /nfs/dbraw/zinc/48/58/16/525485816.db2.gz CXGJFWDEGVAWEI-ASSNKEHSSA-N 0 0 432.480 2.577 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(-c2cc(C)cc(C)c2)c1=O ZINC000020611523 525486282 /nfs/dbraw/zinc/48/62/82/525486282.db2.gz LHSYNZZXBRZZNR-NRFANRHFSA-N 0 0 432.480 2.573 50 0 IFAARN C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000021964660 525496708 /nfs/dbraw/zinc/49/67/08/525496708.db2.gz ODEWQMMTSNUIPL-KQDNUWKFSA-N 0 0 438.553 2.869 50 0 IFAARN COc1ccc2c(C)cc3nnc(SCC(=O)NCC(C)(C)N4CCOCC4)n3c2c1 ZINC000012521758 525497163 /nfs/dbraw/zinc/49/71/63/525497163.db2.gz GRFALXNAIYVMRI-UHFFFAOYSA-N 0 0 443.573 2.519 50 0 IFAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000035684997 525509460 /nfs/dbraw/zinc/50/94/60/525509460.db2.gz ZHTKMZSUKFALLV-MRXNPFEDSA-N 0 0 443.460 2.817 50 0 IFAARN C[C@@H]1Cc2cc(-c3cc(CNC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)no3)ccc2O1 ZINC000035589951 525515851 /nfs/dbraw/zinc/51/58/51/525515851.db2.gz QLWFWRXCSBRHQB-CQSZACIVSA-N 0 0 441.509 2.845 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000012892001 525522031 /nfs/dbraw/zinc/52/20/31/525522031.db2.gz WFTYHAHWABQZLP-UHFFFAOYSA-N 0 0 428.963 2.780 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000009664881 525527065 /nfs/dbraw/zinc/52/70/65/525527065.db2.gz LLEZITUWXBVQII-QGZVFWFLSA-N 0 0 430.526 2.739 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cccc(C)c1O ZINC000009661700 525527621 /nfs/dbraw/zinc/52/76/21/525527621.db2.gz YQNUTCNAOQAOGM-UHFFFAOYSA-N 0 0 446.525 2.979 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1CCCN(CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000022789740 525528244 /nfs/dbraw/zinc/52/82/44/525528244.db2.gz LAGGBRBITMPUMC-OYRHEFFESA-N 0 0 446.595 2.950 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000012788818 525528965 /nfs/dbraw/zinc/52/89/65/525528965.db2.gz XYUVLOFRQKPPJV-PMACEKPBSA-N 0 0 429.586 2.957 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3C)CC2)cc1 ZINC000024764480 525529031 /nfs/dbraw/zinc/52/90/31/525529031.db2.gz VURUVZLYRQXVGR-UHFFFAOYSA-N 0 0 426.535 2.528 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccc(Cl)cc4C3)CC2)cc1 ZINC000012805189 525539358 /nfs/dbraw/zinc/53/93/58/525539358.db2.gz SSBPFENGUFYDOI-KRWDZBQOSA-N 0 0 434.945 2.733 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(N4CCCC4)cc3)CC2)cc1 ZINC000012553943 525541133 /nfs/dbraw/zinc/54/11/33/525541133.db2.gz IUCPZVIFPIQHFF-UHFFFAOYSA-N 0 0 442.585 2.540 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 ZINC000035421715 525544923 /nfs/dbraw/zinc/54/49/23/525544923.db2.gz XNGSYTQVOGQPHW-UXHICEINSA-N 0 0 429.586 2.610 50 0 IFAARN CSCC[C@H](C(=O)O[C@H](C)C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000012813846 525559841 /nfs/dbraw/zinc/55/98/41/525559841.db2.gz CLDXTHJTSQRUTP-RDTXWAMCSA-N 0 0 432.542 2.785 50 0 IFAARN Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000021962910 525560573 /nfs/dbraw/zinc/56/05/73/525560573.db2.gz VQIXADFEGLLWMJ-UHFFFAOYSA-N 0 0 445.585 2.791 50 0 IFAARN Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000020932942 525580898 /nfs/dbraw/zinc/58/08/98/525580898.db2.gz QPCXPMMHIJVVCI-UHFFFAOYSA-N 0 0 449.532 2.958 50 0 IFAARN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncnc(N3CCOCC3)c12 ZINC000020806745 525581725 /nfs/dbraw/zinc/58/17/25/525581725.db2.gz WVNBKDCUJRTUBD-UHFFFAOYSA-N 0 0 437.569 2.794 50 0 IFAARN Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)N[C@H](C)c3ccccc3)cc1CC2 ZINC000020510546 525587746 /nfs/dbraw/zinc/58/77/46/525587746.db2.gz VTXWSEYVJAFRBU-QGZVFWFLSA-N 0 0 448.523 2.900 50 0 IFAARN C[C@@H]1Oc2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc4ccccc4c3)cc2NC1=O ZINC000012878853 525609504 /nfs/dbraw/zinc/60/95/04/525609504.db2.gz URSPTFSSTNDZKQ-AWEZNQCLSA-N 0 0 439.493 2.818 50 0 IFAARN COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)NCCN3CCOCC3)cc1)c2=O ZINC000012442386 525609907 /nfs/dbraw/zinc/60/99/07/525609907.db2.gz GGBVWNQAPIZUNX-UHFFFAOYSA-N 0 0 438.480 2.964 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)NC3CCCCC3)CC1)O[C@@H](C)C(=O)N2 ZINC000032958876 525613219 /nfs/dbraw/zinc/61/32/19/525613219.db2.gz JSZODYOKLFDQAV-HNNXBMFYSA-N 0 0 449.573 2.564 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc3ccc(F)cc3)C1)OCC(=O)N2 ZINC000035378778 525615808 /nfs/dbraw/zinc/61/58/08/525615808.db2.gz QOTBRHZPYUNIJN-AWEZNQCLSA-N 0 0 447.488 2.504 50 0 IFAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012747210 525635524 /nfs/dbraw/zinc/63/55/24/525635524.db2.gz NXRMFXRVDGZTRY-UHFFFAOYSA-N 0 0 443.521 2.905 50 0 IFAARN COc1ccc2ccccc2c1CNC(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000012458755 525653108 /nfs/dbraw/zinc/65/31/08/525653108.db2.gz CVDVNXQXKIHSMZ-LJQANCHMSA-N 0 0 437.540 2.716 50 0 IFAARN COc1ccc2nc(NC(=O)[C@H]3CCC(=O)N3S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000035431016 525674497 /nfs/dbraw/zinc/67/44/97/525674497.db2.gz SRTKZWNUHMVHHB-MRXNPFEDSA-N 0 0 445.522 2.932 50 0 IFAARN COc1cccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C[C@@H]2CCCO2)c1 ZINC000012525345 525727459 /nfs/dbraw/zinc/72/74/59/525727459.db2.gz CAZUEYYYNSYJAS-IBGZPJMESA-N 0 0 432.480 2.789 50 0 IFAARN CSCc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000012694258 525764366 /nfs/dbraw/zinc/76/43/66/525764366.db2.gz QRPRLBSKTXWPBG-UHFFFAOYSA-N 0 0 430.555 2.979 50 0 IFAARN Cc1ccc(-c2csc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)c(C)c1 ZINC000012775705 525780954 /nfs/dbraw/zinc/78/09/54/525780954.db2.gz OWPXJIVWOWLPEG-AWEZNQCLSA-N 0 0 446.554 2.531 50 0 IFAARN C[C@H](O)CNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020390162 525785202 /nfs/dbraw/zinc/78/52/02/525785202.db2.gz NJGJEQJSTGBLSY-LBPRGKRZSA-N 0 0 429.546 2.720 50 0 IFAARN COc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)s2)c1 ZINC000020486298 525838777 /nfs/dbraw/zinc/83/87/77/525838777.db2.gz UADKAGNGPORILJ-LBPRGKRZSA-N 0 0 430.511 2.939 50 0 IFAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 ZINC000011153139 534892707 /nfs/dbraw/zinc/89/27/07/534892707.db2.gz DSFWORBOZQMCDV-UHFFFAOYSA-N 0 0 426.517 2.873 50 0 IFAARN Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4cc(F)cc(F)c4)CC3)n2)cc1 ZINC000014812944 525879188 /nfs/dbraw/zinc/87/91/88/525879188.db2.gz LPARUTBJUDYZLR-UHFFFAOYSA-N 0 0 434.468 2.830 50 0 IFAARN C[C@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000021123924 525879958 /nfs/dbraw/zinc/87/99/58/525879958.db2.gz DKELPWZNKYWWJS-INIZCTEOSA-N 0 0 438.546 2.548 50 0 IFAARN C[C@H](OC(=O)CCC(=O)c1ccc(Cl)s1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000012795311 525880866 /nfs/dbraw/zinc/88/08/66/525880866.db2.gz NLNBXBJYOPDWDZ-JTQLQIEISA-N 0 0 444.918 2.582 50 0 IFAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C(=O)N1CCCC1 ZINC000012683976 525880890 /nfs/dbraw/zinc/88/08/90/525880890.db2.gz NLVUJZPDVBGXQN-KRWDZBQOSA-N 0 0 448.585 2.520 50 0 IFAARN C[C@H](OC(=O)CCSc1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012794254 525883378 /nfs/dbraw/zinc/88/33/78/525883378.db2.gz RQHUWHYBCOIQPQ-LBPRGKRZSA-N 0 0 426.491 2.526 50 0 IFAARN C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCC[C@H](C)[C@H]2C)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000034887492 525885697 /nfs/dbraw/zinc/88/56/97/525885697.db2.gz MBEKJHUHBKSWHB-IMSKVBIZSA-N 0 0 430.501 2.959 50 0 IFAARN C[C@@H](OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C(=O)N1CCc2ccccc21 ZINC000022501019 525892513 /nfs/dbraw/zinc/89/25/13/525892513.db2.gz IZJGWZLGEUZTOL-SNVBAGLBSA-N 0 0 443.308 2.775 50 0 IFAARN Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1 ZINC000012140753 525894037 /nfs/dbraw/zinc/89/40/37/525894037.db2.gz NCLZQVSVHIRMIW-KRWDZBQOSA-N 0 0 433.464 2.502 50 0 IFAARN C[C@@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)NCc1ccccc1Cl ZINC000012894506 525895901 /nfs/dbraw/zinc/89/59/01/525895901.db2.gz NLNJIOJVMJSSQC-CQSZACIVSA-N 0 0 436.917 2.742 50 0 IFAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)C1=O ZINC000012855167 525904139 /nfs/dbraw/zinc/90/41/39/525904139.db2.gz REFBUMJSODLRAT-DEOSSOPVSA-N 0 0 434.496 2.718 50 0 IFAARN Cc1ccc(-n2nc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)ccc2=O)cc1C ZINC000035534549 525930494 /nfs/dbraw/zinc/93/04/94/525930494.db2.gz OZWRTLKHABUXCG-UHFFFAOYSA-N 0 0 436.487 2.716 50 0 IFAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCN(C(=O)NC[C@@H]3CCCO3)CC1)nnc2C ZINC000021913777 525934503 /nfs/dbraw/zinc/93/45/03/525934503.db2.gz BSNYYDGXZMPOGV-FQEVSTJZSA-N 0 0 449.559 2.751 50 0 IFAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCN(C(=O)NC[C@H]3CCCO3)CC1)nnc2C ZINC000021913783 525935071 /nfs/dbraw/zinc/93/50/71/525935071.db2.gz BSNYYDGXZMPOGV-HXUWFJFHSA-N 0 0 449.559 2.751 50 0 IFAARN COc1cccc(CN2CCN(C(=O)CC[C@]3(Cc4ccccc4)CCC(=O)N3)CC2=O)c1 ZINC000014886169 525941963 /nfs/dbraw/zinc/94/19/63/525941963.db2.gz CCSHVBLCWGUOGG-SANMLTNESA-N 0 0 449.551 2.538 50 0 IFAARN COc1cccc(CN2C[C@H](C(=O)NCc3ccccc3Cn3cccn3)CCC2=O)c1 ZINC000012702242 525956902 /nfs/dbraw/zinc/95/69/02/525956902.db2.gz MAUQSFQNXPCTDT-JOCHJYFZSA-N 0 0 432.524 2.995 50 0 IFAARN C[C@H](On1nnc2ccc(C(F)(F)F)cc21)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000012551149 525971988 /nfs/dbraw/zinc/97/19/88/525971988.db2.gz NRMOQBQQHYEEHO-HNNXBMFYSA-N 0 0 433.434 2.612 50 0 IFAARN COc1cccc(CNC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)c1 ZINC000012233259 525976376 /nfs/dbraw/zinc/97/63/76/525976376.db2.gz NQYROJNYMSRJAK-KRWDZBQOSA-N 0 0 447.520 2.944 50 0 IFAARN CSc1ccc(CCNC(=O)[C@@H](CCS(C)(=O)=O)N2Cc3ccccc3C2=O)cc1 ZINC000020531508 525985559 /nfs/dbraw/zinc/98/55/59/525985559.db2.gz POASSFFOBDJSPU-HXUWFJFHSA-N 0 0 446.594 2.527 50 0 IFAARN C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000012267658 526007179 /nfs/dbraw/zinc/00/71/79/526007179.db2.gz YXXNGAWPVFLLMH-NSHDSACASA-N 0 0 435.431 2.920 50 0 IFAARN C[C@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)c1nc(N)nc(N(C)C)n1 ZINC000012900630 526015153 /nfs/dbraw/zinc/01/51/53/526015153.db2.gz RBEGLPGEZVPVCV-ZDUSSCGKSA-N 0 0 429.554 2.596 50 0 IFAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccccc1OCC(F)(F)F ZINC000012773254 526060717 /nfs/dbraw/zinc/06/07/17/526060717.db2.gz NNEIQXWZCNQDCS-ZDUSSCGKSA-N 0 0 445.463 2.907 50 0 IFAARN Cc1cnc(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)s1 ZINC000012851488 526076533 /nfs/dbraw/zinc/07/65/33/526076533.db2.gz LPDSRSIDSJLUTE-UHFFFAOYSA-N 0 0 443.558 2.948 50 0 IFAARN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000012850324 526083157 /nfs/dbraw/zinc/08/31/57/526083157.db2.gz FPUZAUXKRPOZBA-OAHLLOKOSA-N 0 0 429.904 2.531 50 0 IFAARN Cc1ccc(C(=O)N2CCC(N3CCN(Cc4cccc(F)c4)C(=O)C3=O)CC2)cc1F ZINC000035376598 526084973 /nfs/dbraw/zinc/08/49/73/526084973.db2.gz MAKFPFGZINEJRR-UHFFFAOYSA-N 0 0 441.478 2.749 50 0 IFAARN CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)c1 ZINC000035452724 526111537 /nfs/dbraw/zinc/11/15/37/526111537.db2.gz KTGLGTOIUKITHP-CYBMUJFWSA-N 0 0 449.554 2.696 50 0 IFAARN CSc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000012921157 526112871 /nfs/dbraw/zinc/11/28/71/526112871.db2.gz MGDIKYYIIXUEMB-UHFFFAOYSA-N 0 0 445.610 2.842 50 0 IFAARN Cc1cc(=O)c(C(=O)N2CCN(C)CC2)c(CCc2ccccc2)n1Cc1ccncc1 ZINC000020783614 526126183 /nfs/dbraw/zinc/12/61/83/526126183.db2.gz GZINUVBPTYKVOE-UHFFFAOYSA-N 0 0 430.552 2.773 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)nn1-c1ccccc1F ZINC000022602699 526132852 /nfs/dbraw/zinc/13/28/52/526132852.db2.gz IYYGKERFNIEZJW-UHFFFAOYSA-N 0 0 435.459 2.631 50 0 IFAARN C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000022914511 526143069 /nfs/dbraw/zinc/14/30/69/526143069.db2.gz STVQUEHPEKRLFJ-CQSZACIVSA-N 0 0 444.910 2.508 50 0 IFAARN C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1N1CCCCC1 ZINC000012561651 526159622 /nfs/dbraw/zinc/15/96/22/526159622.db2.gz RSLZKFNLSSWCQJ-QGZVFWFLSA-N 0 0 430.574 2.783 50 0 IFAARN COc1cccc(N2C[C@@H](C(=O)Nc3nc(C)c(C4N=NC(=S)N4C)s3)CC2=O)c1 ZINC000012909299 526160644 /nfs/dbraw/zinc/16/06/44/526160644.db2.gz SXZWMNLFWZEJQS-NSHDSACASA-N 0 0 444.542 2.536 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCNC(=O)c1ccccc1 ZINC000012911624 526166310 /nfs/dbraw/zinc/16/63/10/526166310.db2.gz LDKJABGVHYGBAA-UHFFFAOYSA-N 0 0 432.318 2.975 50 0 IFAARN COc1cccc(NC(=O)CCc2c(C)nc3[nH]c(NCc4cccs4)nn3c2=O)c1 ZINC000021804407 526170674 /nfs/dbraw/zinc/17/06/74/526170674.db2.gz MTSPCIFGHBAQEU-UHFFFAOYSA-N 0 0 438.513 2.980 50 0 IFAARN COc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1 ZINC000035396706 526183013 /nfs/dbraw/zinc/18/30/13/526183013.db2.gz JLJRFBJXBVEYSE-UHFFFAOYSA-N 0 0 426.494 2.945 50 0 IFAARN Cc1ccc(C(=O)NC[C@H]2Cc3cccc(-c4cncnc4)c3O2)cc1N1CCNC1=O ZINC000012127013 526183258 /nfs/dbraw/zinc/18/32/58/526183258.db2.gz ATLOYQBYKJJECY-LJQANCHMSA-N 0 0 429.480 2.715 50 0 IFAARN COc1cccc(NC(=O)[C@@H](C)OC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c1 ZINC000012700586 526196093 /nfs/dbraw/zinc/19/60/93/526196093.db2.gz ZAJBLWFMAFHBEX-GFCCVEGCSA-N 0 0 427.482 2.905 50 0 IFAARN COc1cccc(NC(=O)[C@@H](NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(C)C)c1 ZINC000002149817 526196617 /nfs/dbraw/zinc/19/66/17/526196617.db2.gz IWFLRMVAYVMQBI-JLHGSKIFSA-N 0 0 438.528 2.649 50 0 IFAARN COc1cccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000012929044 526199759 /nfs/dbraw/zinc/19/97/59/526199759.db2.gz RERTZHBMLWMTAH-KRWDZBQOSA-N 0 0 443.569 2.517 50 0 IFAARN Cc1cc(C(=O)CN(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c(C)n1C1CC1 ZINC000012812208 526202347 /nfs/dbraw/zinc/20/23/47/526202347.db2.gz YFGKWYMPHSGHKL-IBGZPJMESA-N 0 0 432.590 2.927 50 0 IFAARN Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1C[C@H]1CCCO1 ZINC000012638075 526211645 /nfs/dbraw/zinc/21/16/45/526211645.db2.gz FOXBHDGVQKGIBE-GOSISDBHSA-N 0 0 448.541 2.574 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)N(C)Cc3ccccc3N3CCOCC3)c(C)n2n1 ZINC000022696766 526218050 /nfs/dbraw/zinc/21/80/50/526218050.db2.gz GRCDVNFYAOWZSL-UHFFFAOYSA-N 0 0 440.573 2.501 50 0 IFAARN CSc1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1-c1ccccc1 ZINC000012813181 526220316 /nfs/dbraw/zinc/22/03/16/526220316.db2.gz JVOBAMNMJPDYJL-LBPRGKRZSA-N 0 0 437.481 2.948 50 0 IFAARN Cc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000022641785 526226274 /nfs/dbraw/zinc/22/62/74/526226274.db2.gz JBDRBWKOTSBRMT-UHFFFAOYSA-N 0 0 429.542 2.868 50 0 IFAARN C[C@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)NC(=O)c1ccccc1 ZINC000012768610 526228368 /nfs/dbraw/zinc/22/83/68/526228368.db2.gz MTLJJEMXCGLIBZ-QGZVFWFLSA-N 0 0 442.947 2.631 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022780836 526257092 /nfs/dbraw/zinc/25/70/92/526257092.db2.gz NDJSQJYOFFRUPK-IRXDYDNUSA-N 0 0 429.590 2.818 50 0 IFAARN C[C@H]1CCCN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)C1 ZINC000012870661 526266975 /nfs/dbraw/zinc/26/69/75/526266975.db2.gz MZNQXQXJESRYON-MAUKXSAKSA-N 0 0 428.558 2.981 50 0 IFAARN Cc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c2c1cnn2-c1cccc(Cl)c1 ZINC000012228115 526268408 /nfs/dbraw/zinc/26/84/08/526268408.db2.gz GXRIHBZUEQVVDF-UHFFFAOYSA-N 0 0 437.843 2.911 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000012766626 526269839 /nfs/dbraw/zinc/26/98/39/526269839.db2.gz BGXICYUVQPHLLY-UHFFFAOYSA-N 0 0 425.577 2.918 50 0 IFAARN O=C(NCCCc1ccccc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000017178836 526274567 /nfs/dbraw/zinc/27/45/67/526274567.db2.gz OHBPELYTYCLOIZ-GOSISDBHSA-N 0 0 446.550 2.721 50 0 IFAARN O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021528780 526282585 /nfs/dbraw/zinc/28/25/85/526282585.db2.gz DTUMVDLETMFKHD-HNNXBMFYSA-N 0 0 432.571 2.774 50 0 IFAARN O[C@H](COc1ccc(Br)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022791604 526289116 /nfs/dbraw/zinc/28/91/16/526289116.db2.gz VKMTVMBBLOHOTQ-SFHVURJKSA-N 0 0 449.345 2.735 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)N1CCc2ccccc21 ZINC000012692612 526305425 /nfs/dbraw/zinc/30/54/25/526305425.db2.gz KHWRVNKAKVQPLY-UHFFFAOYSA-N 0 0 442.537 2.838 50 0 IFAARN O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CCN(c2ncccn2)CC1 ZINC000035562403 526306301 /nfs/dbraw/zinc/30/63/01/526306301.db2.gz KHWLHEVRMNPQJJ-UHFFFAOYSA-N 0 0 435.557 2.560 50 0 IFAARN O=C(NCCN1CCCCC1=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012701874 526309138 /nfs/dbraw/zinc/30/91/38/526309138.db2.gz KRVDHBQKDTVHJG-INIZCTEOSA-N 0 0 425.451 2.573 50 0 IFAARN O=C(NCCNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000035955546 526325943 /nfs/dbraw/zinc/32/59/43/526325943.db2.gz WEZWYZVODZGMMW-UHFFFAOYSA-N 0 0 431.895 2.878 50 0 IFAARN Cc1csc(CC(=O)N2CCN(Cc3nc(-c4ccccc4OC(F)F)no3)CC2)n1 ZINC000016695265 526331673 /nfs/dbraw/zinc/33/16/73/526331673.db2.gz FQIFKXLLKRXOQA-UHFFFAOYSA-N 0 0 449.483 2.990 50 0 IFAARN O=C(CCC(=O)N1CCCCCC1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 ZINC000035399130 526377671 /nfs/dbraw/zinc/37/76/71/526377671.db2.gz UIHNPUDXPPTTMP-UHFFFAOYSA-N 0 0 447.601 2.979 50 0 IFAARN O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000021976055 526385032 /nfs/dbraw/zinc/38/50/32/526385032.db2.gz AQZBUSAQIVNCBB-UHFFFAOYSA-N 0 0 448.928 2.892 50 0 IFAARN O=C(CCC1=NNC(=O)CC1)NCCN1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000020783523 526394058 /nfs/dbraw/zinc/39/40/58/526394058.db2.gz OTSXWPPCCFUVLG-QFIPXVFZSA-N 0 0 438.503 2.924 50 0 IFAARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000018073305 526413738 /nfs/dbraw/zinc/41/37/38/526413738.db2.gz YLERRUZUBQYBFY-UHFFFAOYSA-N 0 0 432.432 2.820 50 0 IFAARN O=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012521038 526427070 /nfs/dbraw/zinc/42/70/70/526427070.db2.gz TXWXYPQMPAWFFE-UHFFFAOYSA-N 0 0 436.493 2.630 50 0 IFAARN O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)c(Cl)c1 ZINC000012775201 526445044 /nfs/dbraw/zinc/44/50/44/526445044.db2.gz XEKGLGZBWTZPSA-UHFFFAOYSA-N 0 0 428.869 2.948 50 0 IFAARN O=C([C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)C(=O)C1 ZINC000012749388 526462534 /nfs/dbraw/zinc/46/25/34/526462534.db2.gz XWDAOAPGOPQLLZ-LJQANCHMSA-N 0 0 439.943 2.997 50 0 IFAARN O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2cccs2)CC1 ZINC000022226004 526469324 /nfs/dbraw/zinc/46/93/24/526469324.db2.gz SZQXUAUPWJSLAV-MRXNPFEDSA-N 0 0 439.628 2.555 50 0 IFAARN O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000078664212 526489113 /nfs/dbraw/zinc/48/91/13/526489113.db2.gz HUURAYOCQSLEQO-LSDHHAIUSA-N 0 0 448.488 2.770 50 0 IFAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000022907533 526494897 /nfs/dbraw/zinc/49/48/97/526494897.db2.gz NALFIDBDJCYHOZ-FQEVSTJZSA-N 0 0 447.491 2.905 50 0 IFAARN O=C(CCNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCN(Cc2ccccc2)CC1 ZINC000020676217 526499931 /nfs/dbraw/zinc/49/99/31/526499931.db2.gz OGEHGALUYOEAEW-UHFFFAOYSA-N 0 0 445.567 2.970 50 0 IFAARN O=C(CCOc1ccccc1)N1CCC2(C[C@H]2C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000012206754 526531578 /nfs/dbraw/zinc/53/15/78/526531578.db2.gz HYPCOASUQUVISG-QFIPXVFZSA-N 0 0 448.567 2.828 50 0 IFAARN O=C(CCS(=O)(=O)c1cccc2nsnc21)NC1CCN(Cc2ccccc2)CC1 ZINC000020848280 526538557 /nfs/dbraw/zinc/53/85/57/526538557.db2.gz ZOINOJIKVSVZBK-UHFFFAOYSA-N 0 0 444.582 2.636 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012904775 526552840 /nfs/dbraw/zinc/55/28/40/526552840.db2.gz FRCZKVYGJUCCNW-OAHLLOKOSA-N 0 0 448.570 2.976 50 0 IFAARN Cc1nc(-c2ccc(CCNC(=O)CNC(=O)c3ccc4c(c3)OCO4)s2)cs1 ZINC000012396957 526570073 /nfs/dbraw/zinc/57/00/73/526570073.db2.gz OEYVEXHNLXPITP-UHFFFAOYSA-N 0 0 429.523 2.997 50 0 IFAARN Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(nnn(CCN4CCOCC4)c3=O)c21 ZINC000020650159 526572096 /nfs/dbraw/zinc/57/20/96/526572096.db2.gz FGONMBJBDGPFKP-UHFFFAOYSA-N 0 0 442.932 2.757 50 0 IFAARN O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000078664234 526576666 /nfs/dbraw/zinc/57/66/66/526576666.db2.gz HUURAYOCQSLEQO-CABCVRRESA-N 0 0 448.488 2.770 50 0 IFAARN Cc1nc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)co1 ZINC000021111395 526578923 /nfs/dbraw/zinc/57/89/23/526578923.db2.gz DHPBQCPLEAJUCH-UHFFFAOYSA-N 0 0 441.509 2.885 50 0 IFAARN O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000022784741 526581290 /nfs/dbraw/zinc/58/12/90/526581290.db2.gz UKUDJBGHTLCBRZ-AUSIDOKSSA-N 0 0 437.565 2.897 50 0 IFAARN O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000012775331 526582469 /nfs/dbraw/zinc/58/24/69/526582469.db2.gz LEMVQVBDROJFMN-UHFFFAOYSA-N 0 0 432.452 2.502 50 0 IFAARN O=C(c1cc(Br)ccc1F)N1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000022508973 526599396 /nfs/dbraw/zinc/59/93/96/526599396.db2.gz MBNZGTXCHQFAAQ-UHFFFAOYSA-N 0 0 436.329 2.864 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000021600814 526600385 /nfs/dbraw/zinc/60/03/85/526600385.db2.gz GSFWPNZSIUACGQ-HZPDHXFCSA-N 0 0 425.460 2.726 50 0 IFAARN O=C(c1cc(COc2cccc3cccnc32)on1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012386804 526605256 /nfs/dbraw/zinc/60/52/56/526605256.db2.gz FXXDVHLIXJRPAO-UHFFFAOYSA-N 0 0 432.436 2.993 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)n4)CC3)c2)no1 ZINC000035557798 526622485 /nfs/dbraw/zinc/62/24/85/526622485.db2.gz PJVHLKBELCHBOW-UHFFFAOYSA-N 0 0 447.542 2.849 50 0 IFAARN Cc1noc(Cn2cnc3c4cc(F)ccc4n(CC(=O)NCc4ccccc4)c3c2=O)n1 ZINC000033281305 526636629 /nfs/dbraw/zinc/63/66/29/526636629.db2.gz VDFWVXOZGKHZEB-UHFFFAOYSA-N 0 0 446.442 2.546 50 0 IFAARN O=C(CCc1nc(CN2CCN(C(=O)c3cccc(F)c3)CC2)no1)N1CCCCCC1 ZINC000015722054 526650057 /nfs/dbraw/zinc/65/00/57/526650057.db2.gz OPDMQSPOTUIWSK-UHFFFAOYSA-N 0 0 443.523 2.502 50 0 IFAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000012567731 526669084 /nfs/dbraw/zinc/66/90/84/526669084.db2.gz BVIWHHBXPGZHKT-UHFFFAOYSA-N 0 0 441.915 2.917 50 0 IFAARN O=C(c1ccc(Cl)cc1)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 ZINC000035376411 526675269 /nfs/dbraw/zinc/67/52/69/526675269.db2.gz RXOQTJWQLDWSRP-UHFFFAOYSA-N 0 0 425.916 2.816 50 0 IFAARN O=C(c1ccc(F)cc1)N1CCN(c2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000021884348 526689695 /nfs/dbraw/zinc/68/96/95/526689695.db2.gz CXPCKUKKKLTCIP-UHFFFAOYSA-N 0 0 435.484 2.920 50 0 IFAARN O=C(NCc1ccc(OC(F)F)cc1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000012927029 526691478 /nfs/dbraw/zinc/69/14/78/526691478.db2.gz DOHZNAFAUGKFBD-OAHLLOKOSA-N 0 0 449.479 2.765 50 0 IFAARN Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1cc(F)ccc1F)CC2 ZINC000012191459 526701408 /nfs/dbraw/zinc/70/14/08/526701408.db2.gz HKMJDQNPRCNNMR-ZVVFDCPKSA-N 0 0 430.455 2.957 50 0 IFAARN O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)NC(c1ccccc1)c1ccccc1 ZINC000012736603 526706217 /nfs/dbraw/zinc/70/62/17/526706217.db2.gz QOPIAOAFTAKMOX-UHFFFAOYSA-N 0 0 447.516 2.987 50 0 IFAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012736642 526706321 /nfs/dbraw/zinc/70/63/21/526706321.db2.gz AVFUUBBZRNHBBV-GOSISDBHSA-N 0 0 429.473 2.826 50 0 IFAARN O=C(c1ccc(OC(F)(F)F)cc1)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000016964608 526706602 /nfs/dbraw/zinc/70/66/02/526706602.db2.gz DGFLOGKBMQLNEV-GOSISDBHSA-N 0 0 436.386 2.852 50 0 IFAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000022372850 526707688 /nfs/dbraw/zinc/70/76/88/526707688.db2.gz CSJRNDCUEKQJAO-FQEVSTJZSA-N 0 0 448.516 2.530 50 0 IFAARN O=C(NCc1cccc(Br)c1)c1cccn1-c1nnc(N2CCOCC2)s1 ZINC000021535193 526709632 /nfs/dbraw/zinc/70/96/32/526709632.db2.gz BBPXKBBAVRRGRU-UHFFFAOYSA-N 0 0 448.346 2.858 50 0 IFAARN O=C(NCc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000022381180 526710395 /nfs/dbraw/zinc/71/03/95/526710395.db2.gz IYSPDXXWIDCLSA-UHFFFAOYSA-N 0 0 448.511 2.653 50 0 IFAARN O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCC3)cc21)NCc1ccc(F)cc1 ZINC000035402629 526711031 /nfs/dbraw/zinc/71/10/31/526711031.db2.gz CNUJCXCYWQOOMP-UHFFFAOYSA-N 0 0 427.501 2.817 50 0 IFAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N(Cc1ccccc1F)C1CC1 ZINC000016046763 526714340 /nfs/dbraw/zinc/71/43/40/526714340.db2.gz UNCQBGSRDUHOFE-NRFANRHFSA-N 0 0 434.471 2.961 50 0 IFAARN O=C(CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(c2ccccn2)CC1 ZINC000035404069 526723935 /nfs/dbraw/zinc/72/39/35/526723935.db2.gz NINBEDPJMQWKBX-UHFFFAOYSA-N 0 0 428.540 2.705 50 0 IFAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2)N1CCN(c2ccccn2)CC1 ZINC000035377234 526725437 /nfs/dbraw/zinc/72/54/37/526725437.db2.gz OFWWXOPZZPRQBF-UHFFFAOYSA-N 0 0 428.492 2.970 50 0 IFAARN O=C(CN1CCC(C(=O)N2CCCCC2)CC1)NCc1ccccc1OC(F)(F)F ZINC000012777376 526726893 /nfs/dbraw/zinc/72/68/93/526726893.db2.gz ILEVNQXQDQLJOR-UHFFFAOYSA-N 0 0 427.467 2.926 50 0 IFAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000011945130 526728757 /nfs/dbraw/zinc/72/87/57/526728757.db2.gz OVIIYDKMDREOKM-CYBMUJFWSA-N 0 0 431.495 2.704 50 0 IFAARN Cc1oc(-c2ccccc2[N-]S(=O)(=O)c2cccc(F)c2)nc1CNC(=O)C[NH+](C)C ZINC000012246671 526742901 /nfs/dbraw/zinc/74/29/01/526742901.db2.gz ULERIDQZBSTBBB-UHFFFAOYSA-N 0 0 446.504 2.768 50 0 IFAARN O=C(CN1CCCN(Cc2ccc(F)cc2)S1(=O)=O)NCc1ccc(Cl)cc1 ZINC000015770608 526745098 /nfs/dbraw/zinc/74/50/98/526745098.db2.gz SBRVMMBHILNROK-UHFFFAOYSA-N 0 0 425.913 2.548 50 0 IFAARN O=C(CN1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1)Nc1ccc(F)cc1 ZINC000035361606 526761999 /nfs/dbraw/zinc/76/19/99/526761999.db2.gz QLSIEXZKGXXNAS-UHFFFAOYSA-N 0 0 443.504 2.653 50 0 IFAARN O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000024018267 526775052 /nfs/dbraw/zinc/77/50/52/526775052.db2.gz GUTDWMIPCZRBJJ-UHFFFAOYSA-N 0 0 433.349 2.821 50 0 IFAARN O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000022804699 526777727 /nfs/dbraw/zinc/77/77/27/526777727.db2.gz BXBYQMQFIZVNDO-UHFFFAOYSA-N 0 0 437.569 2.861 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)NC1CCCCC1 ZINC000012881669 526778471 /nfs/dbraw/zinc/77/84/71/526778471.db2.gz GQWDYPZGPLYPSU-UHFFFAOYSA-N 0 0 434.389 2.749 50 0 IFAARN O=C(CN1CCN(Cn2ncc3ccccc3c2=O)CC1)Nc1ccccc1C(F)(F)F ZINC000022358778 526778828 /nfs/dbraw/zinc/77/88/28/526778828.db2.gz VXCNCXKTBYGRTG-UHFFFAOYSA-N 0 0 445.445 2.629 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000012888191 526779479 /nfs/dbraw/zinc/77/94/79/526779479.db2.gz VKUASLQPFNVVMI-REWPJTCUSA-N 0 0 445.629 2.663 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000035504014 526779981 /nfs/dbraw/zinc/77/99/81/526779981.db2.gz WSARRBFWPOIJFG-UHFFFAOYSA-N 0 0 427.448 2.650 50 0 IFAARN O=C(CN1CCN(c2ccc(C(=O)N3CCCC3)cn2)CC1)Nc1ccccc1Cl ZINC000012919089 526780531 /nfs/dbraw/zinc/78/05/31/526780531.db2.gz KLCSVPYEQWBDOX-UHFFFAOYSA-N 0 0 427.936 2.732 50 0 IFAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000022240675 526782898 /nfs/dbraw/zinc/78/28/98/526782898.db2.gz RNUJTPAADSQWHL-IBGZPJMESA-N 0 0 448.445 2.821 50 0 IFAARN O=C(NCc1ccncc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613406 526791610 /nfs/dbraw/zinc/79/16/10/526791610.db2.gz CDMWDCVNRATKCG-UHFFFAOYSA-N 0 0 425.913 2.732 50 0 IFAARN O=C(NCc1csc(-c2ccccc2)n1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000020908986 526809546 /nfs/dbraw/zinc/80/95/46/526809546.db2.gz WALFZGOLAOBFFJ-GOSISDBHSA-N 0 0 440.569 2.677 50 0 IFAARN O=C(CN1c2ccc(S(=O)(=O)N3CCCCC3)cc2CCCC1=O)N1CCCCC1 ZINC000035460715 526826258 /nfs/dbraw/zinc/82/62/58/526826258.db2.gz LNJFFYDRHWBHPP-UHFFFAOYSA-N 0 0 433.574 2.543 50 0 IFAARN O=C(CNC(=O)COC(=O)c1ccc(Cl)cc1O)Nc1ccccc1Br ZINC000012888976 526832077 /nfs/dbraw/zinc/83/20/77/526832077.db2.gz BBXBLAPIHTYMKU-UHFFFAOYSA-N 0 0 441.665 2.720 50 0 IFAARN O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)N1CCN(c2ccccn2)CC1 ZINC000012323002 526859252 /nfs/dbraw/zinc/85/92/52/526859252.db2.gz BKXUKDJHDVDVHS-UHFFFAOYSA-N 0 0 446.536 2.561 50 0 IFAARN O=C(c1cn(Cc2ccccc2C(F)(F)F)nn1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000012387503 526865976 /nfs/dbraw/zinc/86/59/76/526865976.db2.gz DVYACQUTOXLSRD-ZBFHGGJFSA-N 0 0 443.429 2.766 50 0 IFAARN O=C(c1cnc2n(c1=O)CCS2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022225613 526877943 /nfs/dbraw/zinc/87/79/43/526877943.db2.gz JAUKIJGOBFZGMD-UHFFFAOYSA-N 0 0 432.549 2.896 50 0 IFAARN O=C(c1cncs1)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2ccncc2)C1 ZINC000014541116 526885956 /nfs/dbraw/zinc/88/59/56/526885956.db2.gz WZHVWCBMEORRBG-FQEVSTJZSA-N 0 0 436.537 2.651 50 0 IFAARN O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012549580 526886491 /nfs/dbraw/zinc/88/64/91/526886491.db2.gz KJDCSPSDWFRJDX-UHFFFAOYSA-N 0 0 430.917 2.672 50 0 IFAARN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000012616484 526891041 /nfs/dbraw/zinc/89/10/41/526891041.db2.gz ZLPMWQRWNZGDMF-SFHVURJKSA-N 0 0 430.505 2.852 50 0 IFAARN NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CCCC2)cc1 ZINC000012414608 526900542 /nfs/dbraw/zinc/90/05/42/526900542.db2.gz QMVGIQFOESICLW-UHFFFAOYSA-N 0 0 436.537 2.695 50 0 IFAARN O=C(c1csc(-c2ccsc2)n1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012916724 526902081 /nfs/dbraw/zinc/90/20/81/526902081.db2.gz ZNDPBRCVNMTXTJ-SFHVURJKSA-N 0 0 441.534 2.996 50 0 IFAARN O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000014490948 526927003 /nfs/dbraw/zinc/92/70/03/526927003.db2.gz OSOUTIIGZQVQNP-UHFFFAOYSA-N 0 0 445.523 2.749 50 0 IFAARN O=C(COc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012918574 526961239 /nfs/dbraw/zinc/96/12/39/526961239.db2.gz KSQKRMCFNIEKDM-UHFFFAOYSA-N 0 0 448.850 2.669 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)CCCC2 ZINC000015108396 526966234 /nfs/dbraw/zinc/96/62/34/526966234.db2.gz NUXJQEDNXYDARM-UHFFFAOYSA-N 0 0 430.526 2.604 50 0 IFAARN NC(=O)[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c2ccccc2O1 ZINC000016097470 526980162 /nfs/dbraw/zinc/98/01/62/526980162.db2.gz LUXITYKLSMRIHT-FQEVSTJZSA-N 0 0 425.448 2.827 50 0 IFAARN O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000012806601 526993082 /nfs/dbraw/zinc/99/30/82/526993082.db2.gz SPGVCHHGPILWPH-HXUWFJFHSA-N 0 0 439.537 2.685 50 0 IFAARN NC(=O)[C@H]1CN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c2ccccc2O1 ZINC000012585908 527012463 /nfs/dbraw/zinc/01/24/63/527012463.db2.gz HCVXIOHTWVWZCA-VQIMIIECSA-N 0 0 436.493 2.772 50 0 IFAARN O=C1C[C@@H](N(O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000017722945 527018151 /nfs/dbraw/zinc/01/81/51/527018151.db2.gz NLJPYVXYHVMUHZ-HZPDHXFCSA-N 0 0 448.262 2.649 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)c2cccc(F)c2)nn1)Nc1ccc2c(c1)OCO2 ZINC000033298334 527038224 /nfs/dbraw/zinc/03/82/24/527038224.db2.gz CVUAJKZMDPNBOD-UHFFFAOYSA-N 0 0 447.469 2.908 50 0 IFAARN O=C1NC2(CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)N=C1c1ccc(Cl)cc1 ZINC000035445292 527059852 /nfs/dbraw/zinc/05/98/52/527059852.db2.gz ZDQFJCNUNOHLIC-UHFFFAOYSA-N 0 0 439.871 2.718 50 0 IFAARN NC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000012747679 527066016 /nfs/dbraw/zinc/06/60/16/527066016.db2.gz UYJXBKSUABTHQC-UHFFFAOYSA-N 0 0 441.534 2.846 50 0 IFAARN Cn1c(SCC(=O)NCc2ccccc2)ncc(C(=O)Nc2ccc(F)cc2)c1=O ZINC000012236828 527082567 /nfs/dbraw/zinc/08/25/67/527082567.db2.gz NZSXQUPKFFCFKO-UHFFFAOYSA-N 0 0 426.473 2.580 50 0 IFAARN O=C(CSc1nnc(N2CCCC2)n1C[C@H]1CCCO1)NCCc1ccc(F)cc1 ZINC000022594468 527086897 /nfs/dbraw/zinc/08/68/97/527086897.db2.gz DUZKFKOBFQWFOV-GOSISDBHSA-N 0 0 433.553 2.647 50 0 IFAARN O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000012930726 527087191 /nfs/dbraw/zinc/08/71/91/527087191.db2.gz VQGLXRVLGSFPHY-RBZFPXEDSA-N 0 0 437.279 2.963 50 0 IFAARN NC(=O)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012792729 527090834 /nfs/dbraw/zinc/09/08/34/527090834.db2.gz XHQOKUXHMMFKII-UHFFFAOYSA-N 0 0 429.542 2.922 50 0 IFAARN Cc1nc2c(C(=O)NCCN3CCOCC3)cnn2c(C)c1Cc1ccccc1Cl ZINC000020678022 527092424 /nfs/dbraw/zinc/09/24/24/527092424.db2.gz JLZBNZZOYAKYRZ-UHFFFAOYSA-N 0 0 427.936 2.652 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCCc1cscn1 ZINC000020859638 527099798 /nfs/dbraw/zinc/09/97/98/527099798.db2.gz VVKQYDDNGXHHAF-JOCHJYFZSA-N 0 0 434.565 2.860 50 0 IFAARN NC(=O)c1nn(CC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c(=O)c2ccccc21 ZINC000009712053 527103755 /nfs/dbraw/zinc/10/37/55/527103755.db2.gz VRLQLRXZGWSSLW-KRWDZBQOSA-N 0 0 447.520 2.859 50 0 IFAARN Cn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000032946579 527105616 /nfs/dbraw/zinc/10/56/16/527105616.db2.gz MOHIYHWRLBUBCS-MRXNPFEDSA-N 0 0 430.555 2.507 50 0 IFAARN Cn1c2nc(CN3CCc4ccccc4C3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000020517527 527120220 /nfs/dbraw/zinc/12/02/20/527120220.db2.gz XGTAYPGFBXEFIC-UHFFFAOYSA-N 0 0 449.942 2.694 50 0 IFAARN Cn1cc(-c2cc3n(n2)CCCN3C(=O)CCC(=O)NC[C@H]2CCCO2)c2ccccc21 ZINC000021881276 527132179 /nfs/dbraw/zinc/13/21/79/527132179.db2.gz CBUORDVLRHRJCT-QGZVFWFLSA-N 0 0 435.528 2.854 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F)N1CCc2c(Cl)cccc2C1 ZINC000015068395 527153240 /nfs/dbraw/zinc/15/32/40/527153240.db2.gz DUAKKUKDTRDQAA-IBGZPJMESA-N 0 0 433.886 2.894 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F)NCc1nc2ccccc2s1 ZINC000014950523 527153425 /nfs/dbraw/zinc/15/34/25/527153425.db2.gz DMJIPMDOLDNHJA-INIZCTEOSA-N 0 0 430.480 2.581 50 0 IFAARN Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000032983256 527158226 /nfs/dbraw/zinc/15/82/26/527158226.db2.gz RWUIRUBLTKAIHI-XMMPIXPASA-N 0 0 445.519 2.905 50 0 IFAARN O=C(C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O)N1CCN(c2ccccc2F)CC1 ZINC000016648482 527180958 /nfs/dbraw/zinc/18/09/58/527180958.db2.gz OCMOVWWTLGBNTC-SFHVURJKSA-N 0 0 433.487 2.996 50 0 IFAARN O=C(Cc1c[nH]c2ccccc12)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000020735660 527203077 /nfs/dbraw/zinc/20/30/77/527203077.db2.gz LUVZRZBBISVPJK-MRXNPFEDSA-N 0 0 438.915 2.649 50 0 IFAARN O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1c(F)cccc1F)CC2 ZINC000020449355 527229316 /nfs/dbraw/zinc/22/93/16/527229316.db2.gz AACUJDKFRSBAAU-UHFFFAOYSA-N 0 0 443.473 2.655 50 0 IFAARN O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Br)cc1 ZINC000012653117 527250231 /nfs/dbraw/zinc/25/02/31/527250231.db2.gz YPFDPDDWYXPCPJ-UHFFFAOYSA-N 0 0 431.333 2.790 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000012799189 527254163 /nfs/dbraw/zinc/25/41/63/527254163.db2.gz RHWHSQMKOYKYKZ-IBGZPJMESA-N 0 0 441.553 2.848 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 ZINC000021940959 527284810 /nfs/dbraw/zinc/28/48/10/527284810.db2.gz YKDSZRHEHNIQLH-UHFFFAOYSA-N 0 0 433.468 2.734 50 0 IFAARN O=C(Cc1cn2ccsc2n1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000029830685 527320806 /nfs/dbraw/zinc/32/08/06/527320806.db2.gz JVBYHABEYZWGHV-UHFFFAOYSA-N 0 0 442.932 2.986 50 0 IFAARN O=C(Cc1noc2ccccc12)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2 ZINC000035596863 527346793 /nfs/dbraw/zinc/34/67/93/527346793.db2.gz RUDDUKGBWHGQED-UHFFFAOYSA-N 0 0 437.481 2.862 50 0 IFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)NCc1cccc(Cl)c1 ZINC000035536758 527349937 /nfs/dbraw/zinc/34/99/37/527349937.db2.gz ZVYVWUIQRJSXNQ-UHFFFAOYSA-N 0 0 434.883 2.576 50 0 IFAARN O=C(Nc1cccc(F)c1)N1CCN(c2cc(=O)n3nc(-c4ccco4)sc3n2)CC1 ZINC000032996183 527350098 /nfs/dbraw/zinc/35/00/98/527350098.db2.gz IMZXGVXHVFNDDS-UHFFFAOYSA-N 0 0 440.460 2.904 50 0 IFAARN O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000020533818 527350609 /nfs/dbraw/zinc/35/06/09/527350609.db2.gz YMVCERNXWFBABE-UHFFFAOYSA-N 0 0 425.872 2.766 50 0 IFAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(-c2ccc(F)cc2)c1=O)NCc1ccco1 ZINC000012140775 527358050 /nfs/dbraw/zinc/35/80/50/527358050.db2.gz BGCDHAQJSAFRLG-UHFFFAOYSA-N 0 0 433.395 2.947 50 0 IFAARN O=C(Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1CO)Nc1ccc2c(c1)OCO2 ZINC000012230875 527370077 /nfs/dbraw/zinc/37/00/77/527370077.db2.gz BTIQNWVIILTAMD-UHFFFAOYSA-N 0 0 442.855 2.940 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(I)cc1 ZINC000012692328 527372258 /nfs/dbraw/zinc/37/22/58/527372258.db2.gz BAEATBPTDDGYBQ-UHFFFAOYSA-N 0 0 442.278 2.984 50 0 IFAARN O=C(N/C(=C\c1cccc(F)c1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccco1 ZINC000020663122 527433875 /nfs/dbraw/zinc/43/38/75/527433875.db2.gz HUXYIMQKOZRBMC-RJKQYODTSA-N 0 0 447.466 2.997 50 0 IFAARN Cn1ccnc1Sc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000012737476 527451492 /nfs/dbraw/zinc/45/14/92/527451492.db2.gz NZPUDZVNIZYLNT-UHFFFAOYSA-N 0 0 442.522 2.609 50 0 IFAARN O=C(Nc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000012749437 527456509 /nfs/dbraw/zinc/45/65/09/527456509.db2.gz KKSXBMHBWCORLN-NSHDSACASA-N 0 0 430.349 2.945 50 0 IFAARN O=c1c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2ccccc2)c(=O)n1C[C@@H]1CCCO1 ZINC000034693953 527459191 /nfs/dbraw/zinc/45/91/91/527459191.db2.gz XNXAPKKGNIYJSL-KRWDZBQOSA-N 0 0 438.434 2.854 50 0 IFAARN O=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000035527751 527459946 /nfs/dbraw/zinc/45/99/46/527459946.db2.gz ILCVGACRBGAXEY-UHFFFAOYSA-N 0 0 432.371 2.524 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccccc1Br)c1ccc(F)cc1 ZINC000012575505 527463171 /nfs/dbraw/zinc/46/31/71/527463171.db2.gz PXMFWMKOVPBTIN-GOSISDBHSA-N 0 0 445.292 2.957 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 ZINC000022202423 527463653 /nfs/dbraw/zinc/46/36/53/527463653.db2.gz UMCAIUBKJITIFV-HSZRJFAPSA-N 0 0 446.507 2.605 50 0 IFAARN O=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000009661052 527483913 /nfs/dbraw/zinc/48/39/13/527483913.db2.gz JKXPPTYKAPQKLR-UHFFFAOYSA-N 0 0 425.844 2.820 50 0 IFAARN O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012860310 527489392 /nfs/dbraw/zinc/48/93/92/527489392.db2.gz SDPWABRWYXBXOL-HXUWFJFHSA-N 0 0 433.961 2.666 50 0 IFAARN O=C(NC1CCCC1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000035485239 527508519 /nfs/dbraw/zinc/50/85/19/527508519.db2.gz SAPRKDGLPXUFSO-ZEQRLZLVSA-N 0 0 430.552 2.969 50 0 IFAARN O=C(NC1CCCC1)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1 ZINC000021533373 527509362 /nfs/dbraw/zinc/50/93/62/527509362.db2.gz UQAMPPQTOSTBSR-UHFFFAOYSA-N 0 0 447.539 2.884 50 0 IFAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000021293548 527534287 /nfs/dbraw/zinc/53/42/87/527534287.db2.gz ODDJNMQPPGKDDZ-LBPRGKRZSA-N 0 0 442.950 2.779 50 0 IFAARN Nn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc(Cc2ccccc2)c1=O ZINC000012347915 527583667 /nfs/dbraw/zinc/58/36/67/527583667.db2.gz IWOXHAGQNCTPND-UHFFFAOYSA-N 0 0 436.324 2.981 50 0 IFAARN Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc(Cc2ccc(Cl)cc2)c1=O ZINC000012347714 527584604 /nfs/dbraw/zinc/58/46/04/527584604.db2.gz NOWMHTGTQLYMBM-UHFFFAOYSA-N 0 0 436.324 2.981 50 0 IFAARN Cn1ncc2c1ncn(CCC(=O)N1CCc3sccc3[C@H]1c1cccs1)c2=O ZINC000012872138 527585500 /nfs/dbraw/zinc/58/55/00/527585500.db2.gz CIDJRKXOKFFTKR-SFHVURJKSA-N 0 0 425.539 2.817 50 0 IFAARN Cn1ncc2c1ncn(CCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)c2=O ZINC000012817728 527585845 /nfs/dbraw/zinc/58/58/45/527585845.db2.gz NJVOBSLDTYNRGR-UHFFFAOYSA-N 0 0 444.211 2.940 50 0 IFAARN Cn1ncc2c1ncnc2SCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021754873 527588752 /nfs/dbraw/zinc/58/87/52/527588752.db2.gz YBCGFSGFMFSVJK-UHFFFAOYSA-N 0 0 436.463 2.823 50 0 IFAARN O=C(/C=C/c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012769442 527611336 /nfs/dbraw/zinc/61/13/36/527611336.db2.gz OWTCQBTWXKDEFO-RUDMXATFSA-N 0 0 446.500 2.533 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000012853732 527620067 /nfs/dbraw/zinc/62/00/67/527620067.db2.gz IFEGJZZETYMSJZ-YCRREMRBSA-N 0 0 439.487 2.783 50 0 IFAARN O=C(/C=C/c1ccc2ccccc2n1)OCC(=O)NCc1ccccc1CN1CCOCC1 ZINC000021729981 527622055 /nfs/dbraw/zinc/62/20/55/527622055.db2.gz YCLURNIWDOIWAU-VAWYXSNFSA-N 0 0 445.519 2.940 50 0 IFAARN O=C(/C=C/c1nc2ccccc2s1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012584558 527650866 /nfs/dbraw/zinc/65/08/66/527650866.db2.gz ONLNHPCRLHZHRB-AATRIKPKSA-N 0 0 437.550 2.723 50 0 IFAARN O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCSC[C@H]12 ZINC000035907892 527670674 /nfs/dbraw/zinc/67/06/74/527670674.db2.gz MSFHIFDTGPGSFL-IEBWSBKVSA-N 0 0 443.535 2.638 50 0 IFAARN Cc1nn(C)c2sc(C(=O)N3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)cc12 ZINC000012761759 527687626 /nfs/dbraw/zinc/68/76/26/527687626.db2.gz OHAQGBZZVGZJPK-UHFFFAOYSA-N 0 0 432.571 2.707 50 0 IFAARN Cc1nn(C)c2sc(C(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cc12 ZINC000012753451 527687901 /nfs/dbraw/zinc/68/79/01/527687901.db2.gz KENBZDNIWQWSAE-UHFFFAOYSA-N 0 0 438.962 2.743 50 0 IFAARN CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2c(C)cccc2CC)c1=O ZINC000008223602 535592776 /nfs/dbraw/zinc/59/27/76/535592776.db2.gz SHFQOWVYZOHVME-UHFFFAOYSA-N 0 0 427.549 2.502 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2CCCc3ccccc32)c1 ZINC000009562282 535635030 /nfs/dbraw/zinc/63/50/30/535635030.db2.gz MBWMOYKUXAROCD-UHFFFAOYSA-N 0 0 446.525 2.559 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(Cl)cc2)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000008590639 535656766 /nfs/dbraw/zinc/65/67/66/535656766.db2.gz WWRYJGGYWRYCFF-HXUWFJFHSA-N 0 0 441.981 2.546 50 0 IFAARN CCOc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1 ZINC000009089256 535734851 /nfs/dbraw/zinc/73/48/51/535734851.db2.gz UAFQYMCVQFDTFP-UHFFFAOYSA-N 0 0 431.496 2.886 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000009224342 536112166 /nfs/dbraw/zinc/11/21/66/536112166.db2.gz NUTOOWXIICSNPM-UHFFFAOYSA-N 0 0 431.514 2.908 50 0 IFAARN CN1C(=O)Cc2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 ZINC000008590899 536319849 /nfs/dbraw/zinc/31/98/49/536319849.db2.gz BXRQGUUKYWNHJJ-UHFFFAOYSA-N 0 0 439.459 2.735 50 0 IFAARN COC(=O)c1cc(NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)cc(C(=O)OC)c1 ZINC000009593704 536528900 /nfs/dbraw/zinc/52/89/00/536528900.db2.gz CPDFWRPMYWRPKV-UHFFFAOYSA-N 0 0 437.452 2.998 50 0 IFAARN COc1ccc(-c2noc(N(C)CC(=O)N3CCN(c4ccccc4OC)CC3)n2)cc1 ZINC000008913770 536540973 /nfs/dbraw/zinc/54/09/73/536540973.db2.gz FIMCAEHUEIHVCS-UHFFFAOYSA-N 0 0 437.500 2.539 50 0 IFAARN COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)cc1 ZINC000009090174 536673848 /nfs/dbraw/zinc/67/38/48/536673848.db2.gz OHQAULGWYFUTJQ-UHFFFAOYSA-N 0 0 435.459 2.635 50 0 IFAARN COc1cc(C2=NO[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc(OC)c1OC ZINC000004904519 536720728 /nfs/dbraw/zinc/72/07/28/536720728.db2.gz UQTYFSAXXQYGND-NRFANRHFSA-N 0 0 425.485 2.554 50 0 IFAARN COc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nn2)cc1 ZINC000013662629 536896610 /nfs/dbraw/zinc/89/66/10/536896610.db2.gz XLZQYVWQWWHKCN-UHFFFAOYSA-N 0 0 446.479 2.941 50 0 IFAARN COc1ccc2c(cc(C(=O)NCC(=O)N3CCN(c4cccc(Cl)c4)CC3)n2C)c1 ZINC000013736014 537028881 /nfs/dbraw/zinc/02/88/81/537028881.db2.gz UHMVUNKKRRBGGM-UHFFFAOYSA-N 0 0 440.931 2.919 50 0 IFAARN COc1ccccc1N1CCCn2c1nc1c2c(=O)n(Cc2ccc(C)cc2)c(=O)n1C ZINC000009519170 537062802 /nfs/dbraw/zinc/06/28/02/537062802.db2.gz PATHVSPGTGUUHC-UHFFFAOYSA-N 0 0 431.496 2.804 50 0 IFAARN COc1ccccc1N1CCN(C(=O)C[C@@H]2CSc3nc(C(C)C)cc(=O)n32)CC1 ZINC000011613537 537065845 /nfs/dbraw/zinc/06/58/45/537065845.db2.gz PUGSZONDJWHINO-MRXNPFEDSA-N 0 0 428.558 2.761 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000009574128 537067418 /nfs/dbraw/zinc/06/74/18/537067418.db2.gz UWYYOMUKWBOROC-UHFFFAOYSA-N 0 0 443.507 2.647 50 0 IFAARN COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 ZINC000000712806 537069358 /nfs/dbraw/zinc/06/93/58/537069358.db2.gz HIBKDYUUKIDCLO-GOSISDBHSA-N 0 0 444.329 2.912 50 0 IFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(Br)ccc(OC)c1O ZINC000000623442 555511415 /nfs/dbraw/zinc/51/14/15/555511415.db2.gz RNJOXORKIDGJGZ-UHFFFAOYSA-N 0 0 426.263 2.744 50 0 IFAARN O=C(c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCOCC1 ZINC000000630992 555514914 /nfs/dbraw/zinc/51/49/14/555514914.db2.gz OQZHQSGWEDXEAE-UHFFFAOYSA-N 0 0 428.432 2.656 50 0 IFAARN COc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC ZINC000000645258 555520196 /nfs/dbraw/zinc/52/01/96/555520196.db2.gz MHFFACHAUUOANV-UHFFFAOYSA-N 0 0 447.509 2.918 50 0 IFAARN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(C)c1Cl ZINC000000676896 555535220 /nfs/dbraw/zinc/53/52/20/555535220.db2.gz DTRJAGGESGSWTI-UHFFFAOYSA-N 0 0 438.933 2.995 50 0 IFAARN CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2N)c1 ZINC000000687566 555540782 /nfs/dbraw/zinc/54/07/82/555540782.db2.gz LLEAJWVTHBQIBF-UHFFFAOYSA-N 0 0 441.513 2.867 50 0 IFAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000708976 555546188 /nfs/dbraw/zinc/54/61/88/555546188.db2.gz DXLVSXMUPCSXRM-LJQANCHMSA-N 0 0 427.457 2.988 50 0 IFAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCOCC4)cc3n2)cc1OC ZINC000000721055 555550239 /nfs/dbraw/zinc/55/02/39/555550239.db2.gz GWWZOBANJMBKBL-UHFFFAOYSA-N 0 0 436.390 2.905 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccccc2)cc1 ZINC000000780602 555554985 /nfs/dbraw/zinc/55/49/85/555554985.db2.gz FIZCRMMTAPIQMP-UHFFFAOYSA-N 0 0 425.510 2.598 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 ZINC000000785174 555556059 /nfs/dbraw/zinc/55/60/59/555556059.db2.gz RMTZNDFPRZBHMB-UHFFFAOYSA-N 0 0 430.404 2.881 50 0 IFAARN O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccco1 ZINC000000784732 555556172 /nfs/dbraw/zinc/55/61/72/555556172.db2.gz HOVZVPVRMGSLPG-NRFANRHFSA-N 0 0 447.491 2.732 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1 ZINC000000789117 555556728 /nfs/dbraw/zinc/55/67/28/555556728.db2.gz PDNYWVYMEGPNJJ-UHFFFAOYSA-N 0 0 437.345 2.561 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)c1 ZINC000000811710 555560861 /nfs/dbraw/zinc/56/08/61/555560861.db2.gz OAUVGBRRHWKVEM-UHFFFAOYSA-N 0 0 446.525 2.946 50 0 IFAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCC(C(N)=O)CC4)c3n2)cc1 ZINC000000815390 555561746 /nfs/dbraw/zinc/56/17/46/555561746.db2.gz PDKITMPMABZZDZ-UHFFFAOYSA-N 0 0 429.427 2.680 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000000832102 555566300 /nfs/dbraw/zinc/56/63/00/555566300.db2.gz QZGZIVSHXGIEQX-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)cc1OC ZINC000000839920 555567919 /nfs/dbraw/zinc/56/79/19/555567919.db2.gz INBOVPNSEKYQEH-GOSISDBHSA-N 0 0 448.541 2.503 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000000861887 555572556 /nfs/dbraw/zinc/57/25/56/555572556.db2.gz ZFKRAQMLLKSJCD-XQJRBFNUSA-N 0 0 448.500 2.527 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Br ZINC000000869421 555574605 /nfs/dbraw/zinc/57/46/05/555574605.db2.gz PCCNFFMFNCIMJY-UHFFFAOYSA-N 0 0 427.276 2.583 50 0 IFAARN COc1ccccc1CNC(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000000869413 555574625 /nfs/dbraw/zinc/57/46/25/555574625.db2.gz RIHHYIXVBSJZGT-UHFFFAOYSA-N 0 0 427.320 2.540 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000000877027 555576452 /nfs/dbraw/zinc/57/64/52/555576452.db2.gz JASBICOXSYMGOP-UHFFFAOYSA-N 0 0 439.493 2.983 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccccc1F ZINC000000911636 555582573 /nfs/dbraw/zinc/58/25/73/555582573.db2.gz JISMPRASKKKLGF-MUMAZLPKSA-N 0 0 428.510 2.999 50 0 IFAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000000909801 555582592 /nfs/dbraw/zinc/58/25/92/555582592.db2.gz BFMCLDSCNXDABP-FQEVSTJZSA-N 0 0 427.457 2.988 50 0 IFAARN COc1ccc(OC)c(/C=C/C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 ZINC000009632102 555585363 /nfs/dbraw/zinc/58/53/63/555585363.db2.gz NWJCDENRZBNXRM-OENGIGCFSA-N 0 0 442.537 2.862 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000000953245 555589719 /nfs/dbraw/zinc/58/97/19/555589719.db2.gz JRLXOMNQGDEEBN-SFHVURJKSA-N 0 0 445.541 2.924 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000000953246 555589728 /nfs/dbraw/zinc/58/97/28/555589728.db2.gz JRLXOMNQGDEEBN-GOSISDBHSA-N 0 0 445.541 2.924 50 0 IFAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(I)c(O)c(OCC)c1 ZINC000000997281 555598958 /nfs/dbraw/zinc/59/89/58/555598958.db2.gz KPNZMMIMIZQHTL-ZDUSSCGKSA-N 0 0 446.241 2.587 50 0 IFAARN O=C(CS(=O)(=O)Nc1ccc(Cl)cc1)CS(=O)(=O)Nc1ccc(Cl)cc1 ZINC000001024263 555604052 /nfs/dbraw/zinc/60/40/52/555604052.db2.gz NMZALVDDJRXUTL-UHFFFAOYSA-N 0 0 437.326 2.746 50 0 IFAARN COC(=O)c1cnc(N2CCCN(C(=O)NC3CCCCC3)CC2)nc1C(F)(F)F ZINC000001032139 555606256 /nfs/dbraw/zinc/60/62/56/555606256.db2.gz MBENDHPKIWLGEM-UHFFFAOYSA-N 0 0 429.443 2.836 50 0 IFAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1 ZINC000001033616 555607024 /nfs/dbraw/zinc/60/70/24/555607024.db2.gz ODKHVFVRPMDBFP-UHFFFAOYSA-N 0 0 443.568 2.545 50 0 IFAARN Cn1c2nc(NC3CCCCC3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000001034558 555607758 /nfs/dbraw/zinc/60/77/58/555607758.db2.gz RZYGLLVAHWREEO-UHFFFAOYSA-N 0 0 446.349 2.989 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2ccc(N3C(=O)CC4(CCCC4)C3=O)c(Cl)c2)C[C@H](C)O1 ZINC000001048429 555611824 /nfs/dbraw/zinc/61/18/24/555611824.db2.gz MDMQRDBZVDDIAP-KBPBESRZSA-N 0 0 440.949 2.962 50 0 IFAARN COc1ccc(CC(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 ZINC000001057383 555614833 /nfs/dbraw/zinc/61/48/33/555614833.db2.gz WMUHVUOIDSWYQV-OAHLLOKOSA-N 0 0 439.541 2.974 50 0 IFAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009712404 555617601 /nfs/dbraw/zinc/61/76/01/555617601.db2.gz ILWWMSZJAGQGIV-KRWDZBQOSA-N 0 0 439.468 2.714 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000001066805 555618763 /nfs/dbraw/zinc/61/87/63/555618763.db2.gz XMDWFGIKQVQVIC-UHFFFAOYSA-N 0 0 448.751 2.877 50 0 IFAARN COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 ZINC000001075872 555623889 /nfs/dbraw/zinc/62/38/89/555623889.db2.gz HBEUOUXEHWBVPB-UHFFFAOYSA-N 0 0 446.525 2.830 50 0 IFAARN CCOC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(Cl)cc1 ZINC000001076507 555624297 /nfs/dbraw/zinc/62/42/97/555624297.db2.gz RWZPGZUNGRUYDQ-GWCFXTLKSA-N 0 0 436.917 2.909 50 0 IFAARN CCN(C[C@@H]1CCCO1)C(=S)NC(=O)c1ccc(OC)c(I)c1 ZINC000001076339 555624327 /nfs/dbraw/zinc/62/43/27/555624327.db2.gz PQLDAXFLQTWNQN-LBPRGKRZSA-N 0 0 448.326 2.815 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000001079331 555625557 /nfs/dbraw/zinc/62/55/57/555625557.db2.gz HPSRXTKNOBRGLB-UHFFFAOYSA-N 0 0 428.894 2.625 50 0 IFAARN Cc1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001108513 555630252 /nfs/dbraw/zinc/63/02/52/555630252.db2.gz DFYWFWICNUCHJX-UHFFFAOYSA-N 0 0 440.525 2.521 50 0 IFAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OCC(=O)OC)c(OC)c1 ZINC000001115050 555634049 /nfs/dbraw/zinc/63/40/49/555634049.db2.gz BGRLOYJUOVTILO-UHFFFAOYSA-N 0 0 447.484 2.608 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)CC(=O)N2CCC(C)CC2)cc1 ZINC000001115931 555634504 /nfs/dbraw/zinc/63/45/04/555634504.db2.gz CGIAMDUYYUGQQG-UHFFFAOYSA-N 0 0 449.617 2.503 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000001120622 555637652 /nfs/dbraw/zinc/63/76/52/555637652.db2.gz RFTHCVOJQKNNNN-UHFFFAOYSA-N 0 0 428.532 2.535 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(I)cc2)cc1 ZINC000001127495 555641900 /nfs/dbraw/zinc/64/19/00/555641900.db2.gz DDBVCNCENWYZJU-LBPRGKRZSA-N 0 0 444.294 2.905 50 0 IFAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000001127497 555641943 /nfs/dbraw/zinc/64/19/43/555641943.db2.gz GBADPIYAQNZWOI-UHFFFAOYSA-N 0 0 431.514 2.554 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 ZINC000001149824 555655844 /nfs/dbraw/zinc/65/58/44/555655844.db2.gz XJMMIMGUMOKDBU-RMKNXTFCSA-N 0 0 429.425 2.938 50 0 IFAARN COc1ccc(-n2c(=O)c(C(=O)N[C@@H]3CCSC3=O)cc3c2CC(C)(C)CC3=O)cc1 ZINC000001151526 555656746 /nfs/dbraw/zinc/65/67/46/555656746.db2.gz HLULIJKZZMYKOV-QGZVFWFLSA-N 0 0 440.521 2.763 50 0 IFAARN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O)Nc1ccccc1F ZINC000001157136 555659564 /nfs/dbraw/zinc/65/95/64/555659564.db2.gz DCSOZAWQEHRRPW-WJDWOHSUSA-N 0 0 431.445 2.930 50 0 IFAARN O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000001158105 555660149 /nfs/dbraw/zinc/66/01/49/555660149.db2.gz ARXYSZONSYJILM-UHFFFAOYSA-N 0 0 438.347 2.561 50 0 IFAARN COc1ccc(CCN2C(=S)N(C)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000001185278 555673735 /nfs/dbraw/zinc/67/37/35/555673735.db2.gz KLZNFDDXLDAXKF-LJQANCHMSA-N 0 0 427.526 2.703 50 0 IFAARN NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCCC2 ZINC000001195021 555676667 /nfs/dbraw/zinc/67/66/67/555676667.db2.gz NOLYDDMGWPWFNU-UHFFFAOYSA-N 0 0 433.555 2.763 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)cc1C ZINC000001409425 555694095 /nfs/dbraw/zinc/69/40/95/555694095.db2.gz KOKTZJFKZPCKDA-ZDLGFXPLSA-N 0 0 439.493 2.843 50 0 IFAARN O=S(=O)(c1ccccc1)N1CCCCC[C@@H]1C1CCN(Cc2nnnn2C2CC2)CC1 ZINC000071889338 555723017 /nfs/dbraw/zinc/72/30/17/555723017.db2.gz VEUXCIXGOMDMMA-OAQYLSRUSA-N 0 0 444.605 2.854 50 0 IFAARN Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3C2=O)cc1 ZINC000001926068 555725064 /nfs/dbraw/zinc/72/50/64/555725064.db2.gz WBDSHORYMQHUKK-UHFFFAOYSA-N 0 0 443.459 2.987 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(CN2CCC3(C[C@H]3c3nnc4n3CCCCC4)CC2)o1 ZINC000071890619 555748413 /nfs/dbraw/zinc/74/84/13/555748413.db2.gz CRTZRUNRXMABBK-KRWDZBQOSA-N 0 0 433.578 2.618 50 0 IFAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)C1C=CC2[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000002173464 555752417 /nfs/dbraw/zinc/75/24/17/555752417.db2.gz ZAOKSCPLTUYESP-BKCUVPJCSA-N 0 0 434.398 2.692 50 0 IFAARN COc1ccc(CCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(N)=O)cc1OC ZINC000002226154 555759811 /nfs/dbraw/zinc/75/98/11/555759811.db2.gz NINMUZUHRNPIKD-INIZCTEOSA-N 0 0 447.944 2.777 50 0 IFAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 ZINC000002385457 555774582 /nfs/dbraw/zinc/77/45/82/555774582.db2.gz DAVPWBZXUHKWRW-UHFFFAOYSA-N 0 0 434.481 2.811 50 0 IFAARN CN(Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1)Cc1ccccc1 ZINC000002395912 555775575 /nfs/dbraw/zinc/77/55/75/555775575.db2.gz MWCSXTGSSKNQJY-UHFFFAOYSA-N 0 0 431.540 2.699 50 0 IFAARN O=C(NCCc1ccccn1)c1csc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000034668909 555792734 /nfs/dbraw/zinc/79/27/34/555792734.db2.gz MCGACYHWFJLPNI-UHFFFAOYSA-N 0 0 425.533 2.972 50 0 IFAARN O=C(NCCN1CCOCC1)c1csc(CN2CCC(Cc3ccccc3)CC2)n1 ZINC000034668979 555792743 /nfs/dbraw/zinc/79/27/43/555792743.db2.gz QVCDMAAKZYYESW-UHFFFAOYSA-N 0 0 428.602 2.660 50 0 IFAARN CCNC(=O)N1CCc2nc(N3CCN(c4ccccc4)CC3)nc(N(C)C(C)C)c2C1 ZINC000034676898 555795005 /nfs/dbraw/zinc/79/50/05/555795005.db2.gz FEQNDXNVKHWNPB-UHFFFAOYSA-N 0 0 437.592 2.735 50 0 IFAARN O=C(c1coc(CN2CCN(Cc3ccccc3)CC2)n1)N1CCN(c2ccccc2)CC1 ZINC000034678387 555797039 /nfs/dbraw/zinc/79/70/39/555797039.db2.gz TYDUVVZOVPLFKO-UHFFFAOYSA-N 0 0 445.567 2.955 50 0 IFAARN CC(C)N(C(=O)CO[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1[C@@H]1COC(C)(C)O1)c1ccccc1 ZINC000002674081 555797509 /nfs/dbraw/zinc/79/75/09/555797509.db2.gz NJHYYAKMLCLPQN-AYZHRIAMSA-N 0 0 435.517 2.841 50 0 IFAARN O=C(c1ccco1)N1CCc2nc(N3CCc4ccccc4C3)nc(N3CCOCC3)c2C1 ZINC000034679090 555798303 /nfs/dbraw/zinc/79/83/03/555798303.db2.gz JWJUSDFLRDTEJH-UHFFFAOYSA-N 0 0 445.523 2.667 50 0 IFAARN CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1 ZINC000034693650 555808044 /nfs/dbraw/zinc/80/80/44/555808044.db2.gz GNKIFKIUPMPFQG-HNNXBMFYSA-N 0 0 436.443 2.660 50 0 IFAARN CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(Cc1ccco1)c(=O)n2-c1ccc(Cl)cc1 ZINC000034693714 555808279 /nfs/dbraw/zinc/80/82/79/555808279.db2.gz JGPGWICCNHAPSW-ZDUSSCGKSA-N 0 0 442.859 2.768 50 0 IFAARN COC(=O)c1ccc(Cn2cnc3c2c(=O)n(C2CC2)c(=O)n3-c2cccc(OC)c2)cc1 ZINC000034694295 555809560 /nfs/dbraw/zinc/80/95/60/555809560.db2.gz WRCVWIVZYFCGRW-UHFFFAOYSA-N 0 0 446.463 2.527 50 0 IFAARN CC(=O)N1CCN(C(=O)c2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c2)CC1 ZINC000034684608 555820200 /nfs/dbraw/zinc/82/02/00/555820200.db2.gz FXWYMMBEPCHNME-UHFFFAOYSA-N 0 0 440.975 2.967 50 0 IFAARN COCCNC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000034708934 555823486 /nfs/dbraw/zinc/82/34/86/555823486.db2.gz ZRRGMAXWFPTGAY-VQTJNVASSA-N 0 0 426.513 2.712 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccc(C)cc2C)cc1 ZINC000002813721 555828245 /nfs/dbraw/zinc/82/82/45/555828245.db2.gz RUORTJCIPMOIQB-UHFFFAOYSA-N 0 0 443.569 2.531 50 0 IFAARN C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)c2C(N)=O)C1 ZINC000002843141 555836384 /nfs/dbraw/zinc/83/63/84/555836384.db2.gz GWKDXTYYOXCTSB-SNVBAGLBSA-N 0 0 431.539 2.870 50 0 IFAARN CCOc1ccccc1N(CC(=O)Nc1cc(C(=O)OC)ccc1Cl)S(C)(=O)=O ZINC000002855995 555841690 /nfs/dbraw/zinc/84/16/90/555841690.db2.gz FTOGKAHARLOXAE-UHFFFAOYSA-N 0 0 440.905 2.930 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1 ZINC000002865366 555846700 /nfs/dbraw/zinc/84/67/00/555846700.db2.gz BEBCLAQRIJCXOK-QGZVFWFLSA-N 0 0 427.526 2.771 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(OC)ccc3OC)C2)cc1 ZINC000002886513 555858305 /nfs/dbraw/zinc/85/83/05/555858305.db2.gz BIXJDBCDTLXFKP-HNNXBMFYSA-N 0 0 434.514 2.752 50 0 IFAARN CCN(CC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002887224 555858691 /nfs/dbraw/zinc/85/86/91/555858691.db2.gz CVLSMJYDHVZNEN-UHFFFAOYSA-N 0 0 430.313 2.742 50 0 IFAARN CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000002967710 555868733 /nfs/dbraw/zinc/86/87/33/555868733.db2.gz WEMBHQRAKVGPRM-RUAJRXAUSA-N 0 0 426.538 2.884 50 0 IFAARN COc1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c(OC)c1 ZINC000002979775 555871607 /nfs/dbraw/zinc/87/16/07/555871607.db2.gz BBKWQDALSLKBCZ-UHFFFAOYSA-N 0 0 438.571 2.519 50 0 IFAARN O=S(=O)(c1cccc(-c2n[nH]c(=S)n2Cc2ccc(F)cc2)c1)N1CCOCC1 ZINC000003220810 555901685 /nfs/dbraw/zinc/90/16/85/555901685.db2.gz VLOXLYIALPJKGX-UHFFFAOYSA-N 0 0 434.518 2.816 50 0 IFAARN CC(C)COc1cccc(-c2nnc(CCC(=O)NCC[NH+]3CCCCC3)c(=O)[n-]2)c1 ZINC000034765568 555906453 /nfs/dbraw/zinc/90/64/53/555906453.db2.gz RKLQJXVBEGHAIA-UHFFFAOYSA-N 0 0 427.549 2.814 50 0 IFAARN Cc1cccc(C(=O)N2CCc3[nH]nc(C(=O)N4CCN(c5ccccc5)CC4)c3C2)c1 ZINC000034809642 555908234 /nfs/dbraw/zinc/90/82/34/555908234.db2.gz SBNLRVOHUFYADE-UHFFFAOYSA-N 0 0 429.524 2.879 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3n(n2)CCN(Cc2ccc(Cl)cc2)C3=O)C1 ZINC000034810897 555908848 /nfs/dbraw/zinc/90/88/48/555908848.db2.gz DEFUWRQTJGPDFV-INIZCTEOSA-N 0 0 444.919 2.608 50 0 IFAARN COc1cc(CN2CCn3nc(C(=O)N(C)Cc4ccccc4)cc3C2=O)cc(OC)c1 ZINC000034830841 555912014 /nfs/dbraw/zinc/91/20/14/555912014.db2.gz YBSOBVHQTYWGDE-UHFFFAOYSA-N 0 0 434.496 2.829 50 0 IFAARN COc1ccc(CCNC(=O)c2[nH]nc3c2CN(C(=O)Cc2ccc(C)cc2)CC3)cc1 ZINC000034832001 555912616 /nfs/dbraw/zinc/91/26/16/555912616.db2.gz VUKYVOMPWJHSRI-UHFFFAOYSA-N 0 0 432.524 2.827 50 0 IFAARN COC(=O)c1cn(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccccc12 ZINC000003630775 555941704 /nfs/dbraw/zinc/94/17/04/555941704.db2.gz RWTOJRVJDLJFFA-MDZDMXLPSA-N 0 0 438.436 2.597 50 0 IFAARN CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CC[NH2+]CC2)cc1)C(=O)[O-] ZINC000003806104 555946622 /nfs/dbraw/zinc/94/66/22/555946622.db2.gz COKMIXFXJJXBQG-NRFANRHFSA-N 0 0 440.606 2.951 50 0 fda IFAARN C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004155992 555969085 /nfs/dbraw/zinc/96/90/85/555969085.db2.gz XSNLHIWRTQZZSU-JRRBAZMTSA-N 0 0 434.286 2.595 50 0 IFAARN Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1C ZINC000004197362 555975584 /nfs/dbraw/zinc/97/55/84/555975584.db2.gz LKFWENGQKZGIHS-UHFFFAOYSA-N 0 0 445.589 2.668 50 0 IFAARN CC(C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(F)c1)N2 ZINC000009505534 555983120 /nfs/dbraw/zinc/98/31/20/555983120.db2.gz DWIFUETZFPTTAP-HXUWFJFHSA-N 0 0 447.532 2.949 50 0 IFAARN COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000004438462 555994865 /nfs/dbraw/zinc/99/48/65/555994865.db2.gz OMORGHJUJKKBER-CYBMUJFWSA-N 0 0 432.527 2.739 50 0 IFAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccncc2)cc1 ZINC000006244750 556082321 /nfs/dbraw/zinc/08/23/21/556082321.db2.gz MHFKEBLZEYIVMT-UHFFFAOYSA-N 0 0 439.537 2.640 50 0 IFAARN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)OC)c(Cl)c2)cc1 ZINC000006480573 556091106 /nfs/dbraw/zinc/09/11/06/556091106.db2.gz CDKJUNGXRLDXNO-UHFFFAOYSA-N 0 0 427.862 2.869 50 0 IFAARN CCCNC(=O)CCS(=O)(=O)c1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 ZINC000006500513 556091829 /nfs/dbraw/zinc/09/18/29/556091829.db2.gz UVLXEWWKIZQVMS-UHFFFAOYSA-N 0 0 431.436 2.861 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000006553090 556094227 /nfs/dbraw/zinc/09/42/27/556094227.db2.gz IRBACUXAMQGEEZ-LJQANCHMSA-N 0 0 440.496 2.687 50 0 IFAARN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3nccs3)C2=O)cc(OC)c1OC ZINC000002707613 556124472 /nfs/dbraw/zinc/12/44/72/556124472.db2.gz AEKHBKFKZNAIMW-JYRVWZFOSA-N 0 0 435.483 2.844 50 0 IFAARN CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)NC[C@H]2CCCO2)CCS3)cc1 ZINC000002719893 556126278 /nfs/dbraw/zinc/12/62/78/556126278.db2.gz VHZQGSWRZPLMLT-MRXNPFEDSA-N 0 0 447.582 2.667 50 0 IFAARN O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000002723432 556128417 /nfs/dbraw/zinc/12/84/17/556128417.db2.gz VWHRYHBQXLWAKG-UHFFFAOYSA-N 0 0 448.888 2.663 50 0 IFAARN Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccc4c(c2)OCCO4)[nH]c3=O)cc1 ZINC000002717929 556131348 /nfs/dbraw/zinc/13/13/48/556131348.db2.gz MQBMZHIJIWFDMS-UHFFFAOYSA-N 0 0 449.492 2.919 50 0 IFAARN C[C@@H]1CCc2c(sc(NC(=O)c3c(I)cnn3C)c2C(N)=O)C1 ZINC000002780883 556141608 /nfs/dbraw/zinc/14/16/08/556141608.db2.gz DSDAXOYCNDQJFV-SSDOTTSWSA-N 0 0 444.298 2.562 50 0 IFAARN CCn1ncc(Br)c1CNS(=O)(=O)c1ccc(Br)s1 ZINC000002803706 556142686 /nfs/dbraw/zinc/14/26/86/556142686.db2.gz TZOFQBOKCOGLLX-UHFFFAOYSA-N 0 0 429.159 2.968 50 0 IFAARN COC(=O)c1ccc2nc(NC(=O)COC(=O)c3ccccc3NC(C)=O)sc2c1 ZINC000002830543 556146118 /nfs/dbraw/zinc/14/61/18/556146118.db2.gz VVQXRNZWQWKESL-UHFFFAOYSA-N 0 0 427.438 2.837 50 0 IFAARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)C1 ZINC000002807907 556146425 /nfs/dbraw/zinc/14/64/25/556146425.db2.gz DXIYZNNIVGTCPF-AWEZNQCLSA-N 0 0 430.452 2.560 50 0 IFAARN O=C(Nc1ccccc1Cl)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000003007739 556157049 /nfs/dbraw/zinc/15/70/49/556157049.db2.gz NSMOFNIITOEKDA-UHFFFAOYSA-N 0 0 425.872 2.975 50 0 IFAARN CC1=C(C(=O)OCCOC(C)C)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000008396097 556163262 /nfs/dbraw/zinc/16/32/62/556163262.db2.gz DJJJYBSLHSBJDE-INIZCTEOSA-N 0 0 441.278 2.774 50 0 IFAARN CC(=O)O[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1OC(C)=O ZINC000008398843 556165071 /nfs/dbraw/zinc/16/50/71/556165071.db2.gz RBWWJLZVOQGLQV-YYTJJFCCSA-N 0 0 442.464 2.906 50 0 IFAARN Cn1c2ncn(CCCOC3c4ccccc4CCc4ccccc43)c2c(=O)n(C)c1=O ZINC000008442127 556177152 /nfs/dbraw/zinc/17/71/52/556177152.db2.gz IXHHDHKZLRGIGR-UHFFFAOYSA-N 0 0 430.508 2.729 50 0 IFAARN CCNC(=O)C[C@@H]1C(=O)N(c2cccc(OC)c2)C(=O)N1Cc1ccc(OC)c(OC)c1 ZINC000008599583 556190467 /nfs/dbraw/zinc/19/04/67/556190467.db2.gz PDBBHSXUEFMBLD-GOSISDBHSA-N 0 0 441.484 2.576 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1Cl ZINC000008626543 556193524 /nfs/dbraw/zinc/19/35/24/556193524.db2.gz WYPLFAUNDNNUQD-UHFFFAOYSA-N 0 0 445.950 2.658 50 0 IFAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)CC1 ZINC000008636607 556194432 /nfs/dbraw/zinc/19/44/32/556194432.db2.gz FPGALSNZIPFYLR-UHFFFAOYSA-N 0 0 436.555 2.642 50 0 IFAARN Cn1c2nc(NC3CCCC3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000008636970 556195030 /nfs/dbraw/zinc/19/50/30/556195030.db2.gz XPIWIIQZULHNLF-UHFFFAOYSA-N 0 0 432.322 2.599 50 0 IFAARN CCn1cnc2c1c(=O)n(CC(=O)c1cc(C)n(CC)c1C)c(=O)n2Cc1ccccc1 ZINC000008746307 556209691 /nfs/dbraw/zinc/20/96/91/556209691.db2.gz XCNWTKKHCVGMGJ-UHFFFAOYSA-N 0 0 433.512 2.749 50 0 IFAARN C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000008746707 556210036 /nfs/dbraw/zinc/21/00/36/556210036.db2.gz BAZIUQNZHNDTOO-HNNXBMFYSA-N 0 0 444.509 2.609 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008816425 556217738 /nfs/dbraw/zinc/21/77/38/556217738.db2.gz MOJUMCOOHLENIM-HNNXBMFYSA-N 0 0 433.505 2.848 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)CC2=O)cc1 ZINC000008816458 556217753 /nfs/dbraw/zinc/21/77/53/556217753.db2.gz IEAJXYLFATVKQL-HNNXBMFYSA-N 0 0 445.541 2.764 50 0 IFAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000008817112 556217959 /nfs/dbraw/zinc/21/79/59/556217959.db2.gz XKUGEQDQNWKNQQ-AWEZNQCLSA-N 0 0 436.530 2.935 50 0 IFAARN CCOC(=O)N1CCN(C(=O)/C(=C/c2ccc(OC)cc2)NC(=O)c2ccccc2)CC1 ZINC000008829320 556225141 /nfs/dbraw/zinc/22/51/41/556225141.db2.gz CXQPJALCTARFCS-FXBPSFAMSA-N 0 0 437.496 2.767 50 0 IFAARN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC(=O)OC ZINC000008915999 556232489 /nfs/dbraw/zinc/23/24/89/556232489.db2.gz NSZMRYXJRMDULL-LICLKQGHSA-N 0 0 428.416 2.869 50 0 IFAARN COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)c1cn(C)c2ccccc12 ZINC000008994545 556239569 /nfs/dbraw/zinc/23/95/69/556239569.db2.gz JSSFLXUOAIDKJF-UHFFFAOYSA-N 0 0 426.425 2.812 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2ccco2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000009010291 556240584 /nfs/dbraw/zinc/24/05/84/556240584.db2.gz XQGWOWBTMHEZFR-UHFFFAOYSA-N 0 0 436.511 2.592 50 0 IFAARN CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 ZINC000009190921 556253180 /nfs/dbraw/zinc/25/31/80/556253180.db2.gz PDSVVZNVKWYGTP-CQSZACIVSA-N 0 0 435.933 2.938 50 0 IFAARN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000009191165 556253833 /nfs/dbraw/zinc/25/38/33/556253833.db2.gz HAQUIHMLJIJNFQ-HZPDHXFCSA-N 0 0 445.541 2.764 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3c4ccccc4oc3=O)cc2)CC1 ZINC000009226875 556260700 /nfs/dbraw/zinc/26/07/00/556260700.db2.gz YZPZHFCXOZFYNK-UHFFFAOYSA-N 0 0 429.498 2.654 50 0 IFAARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O)c(I)c2)C1=O ZINC000009263034 556270138 /nfs/dbraw/zinc/27/01/38/556270138.db2.gz IPBRFHRVUSGQLF-KEXZDQNZSA-N 0 0 433.223 2.595 50 0 IFAARN COc1cc2cc(C(=O)NCCC(=O)Nc3ncc(C)s3)n(C)c2c(OC)c1OC ZINC000013684407 556275247 /nfs/dbraw/zinc/27/52/47/556275247.db2.gz LWQDLHAMLQQSSF-UHFFFAOYSA-N 0 0 432.502 2.728 50 0 IFAARN CCOC(=O)CSc1nnc(CSc2nc(=O)c3c(C)c(C)sc3[nH]2)n1C ZINC000009302161 556275933 /nfs/dbraw/zinc/27/59/33/556275933.db2.gz GFNIUHMNYFWXEU-UHFFFAOYSA-N 0 0 425.561 2.677 50 0 IFAARN CC[C@H](NC(=O)c1cc2cc(OC)c(OC)c(OC)c2n1C)C(=O)Nc1ccccn1 ZINC000013686612 556276625 /nfs/dbraw/zinc/27/66/25/556276625.db2.gz UBLHTDVALRKENW-AWEZNQCLSA-N 0 0 426.473 2.746 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009321150 556281154 /nfs/dbraw/zinc/28/11/54/556281154.db2.gz OJJLCGLROYNVIZ-UHFFFAOYSA-N 0 0 446.463 2.987 50 0 IFAARN Cn1c(CNC(=O)[C@@H]2COc3ccccc3O2)nc2cc(NC(=O)c3cccnc3)ccc21 ZINC000013692136 556281825 /nfs/dbraw/zinc/28/18/25/556281825.db2.gz KUHIYAOLZJYXNJ-NRFANRHFSA-N 0 0 443.463 2.677 50 0 IFAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 ZINC000013692576 556282246 /nfs/dbraw/zinc/28/22/46/556282246.db2.gz HONHMLFQBHZDMO-QUCCMNQESA-N 0 0 446.551 2.884 50 0 IFAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3nc(C)cs3)cc1O2 ZINC000013718890 556288365 /nfs/dbraw/zinc/28/83/65/556288365.db2.gz VRANOAXCKAKXIH-UHFFFAOYSA-N 0 0 429.498 2.815 50 0 IFAARN CC(=O)Oc1cc(OC(C)=O)c2c(C)c(CC(=O)NCCc3ccccc3)c(=O)oc2c1 ZINC000009418593 556289204 /nfs/dbraw/zinc/28/92/04/556289204.db2.gz RTIKFINKGZXZBB-UHFFFAOYSA-N 0 0 437.448 2.853 50 0 IFAARN COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cccc(F)c4)n3N)n[nH]2)cc1 ZINC000009448746 556292484 /nfs/dbraw/zinc/29/24/84/556292484.db2.gz VBKZZUZLNHFETA-UHFFFAOYSA-N 0 0 439.476 2.928 50 0 IFAARN CCc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000009525821 556296109 /nfs/dbraw/zinc/29/61/09/556296109.db2.gz VJAZILSTHYSDRV-UHFFFAOYSA-N 0 0 432.498 2.553 50 0 IFAARN COc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCC(C)C)CC3=O)cc2)cc1 ZINC000009556245 556297969 /nfs/dbraw/zinc/29/79/69/556297969.db2.gz MZYXECBYUMYERN-KRWDZBQOSA-N 0 0 439.512 2.838 50 0 IFAARN Cc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1 ZINC000032741195 556302771 /nfs/dbraw/zinc/30/27/71/556302771.db2.gz WLZIYIREQIPBTE-UHFFFAOYSA-N 0 0 430.526 2.871 50 0 IFAARN COc1c(Br)c2ccccc2cc1C(=O)NCCNC(=O)c1cnccn1 ZINC000009615184 556303937 /nfs/dbraw/zinc/30/39/37/556303937.db2.gz CEDSHETWDPOSGB-UHFFFAOYSA-N 0 0 429.274 2.561 50 0 IFAARN CCOC(=O)[C@](NC(=O)Nc1ccc(C(=O)OC)cc1)(OCC(F)(F)F)C(F)(F)F ZINC000013774134 556306676 /nfs/dbraw/zinc/30/66/76/556306676.db2.gz AUEUAKDECYPVBD-HNNXBMFYSA-N 0 0 446.300 2.995 50 0 IFAARN COc1cc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)ccc1OC(C)=O ZINC000013776715 556307456 /nfs/dbraw/zinc/30/74/56/556307456.db2.gz OBFOHDKGFFQJSZ-XMFMUOABSA-N 0 0 425.491 2.865 50 0 IFAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(F)(F)F)c1)N(C)CC3)OCO2 ZINC000013788437 556309813 /nfs/dbraw/zinc/30/98/13/556309813.db2.gz CCDNMWGRRMWADA-MRXNPFEDSA-N 0 0 433.390 2.996 50 0 IFAARN CCCn1c2sc3c(c2c(=O)n(-c2ccc(OC)c(OC)c2)c1=O)CCN(C(C)=O)C3 ZINC000009830560 556311327 /nfs/dbraw/zinc/31/13/27/556311327.db2.gz GWPAYCZRFUVRHN-UHFFFAOYSA-N 0 0 443.525 2.546 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCC[C@H](C)C2)C1 ZINC000009830776 556311645 /nfs/dbraw/zinc/31/16/45/556311645.db2.gz BSCSGUDMEFQRHM-YESZJQIVSA-N 0 0 449.573 2.520 50 0 IFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCCCCC2)C1 ZINC000009830761 556311648 /nfs/dbraw/zinc/31/16/48/556311648.db2.gz IGNRJLOUTFIRBH-IRXDYDNUSA-N 0 0 449.573 2.664 50 0 IFAARN CCCCN(C)C(=O)Cn1c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2oc1=O ZINC000009830813 556311666 /nfs/dbraw/zinc/31/16/66/556311666.db2.gz ZWNGORJMMMLXBW-HOTGVXAUSA-N 0 0 437.562 2.520 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000013810186 556311900 /nfs/dbraw/zinc/31/19/00/556311900.db2.gz DUBSORMYUKZIFB-VOMPUTFMSA-N 0 0 438.505 2.708 50 0 IFAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CCC(C(=O)OCC)CC1 ZINC000013810601 556312293 /nfs/dbraw/zinc/31/22/93/556312293.db2.gz ZGHVWKKZDSGLBU-AWEZNQCLSA-N 0 0 445.516 2.955 50 0 IFAARN COc1cccc(C2=NO[C@@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1OC ZINC000009856692 556314234 /nfs/dbraw/zinc/31/42/34/556314234.db2.gz VIOKMTRJGUQSAT-LJQANCHMSA-N 0 0 436.468 2.633 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)O[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)ccc1OC ZINC000032745320 556315088 /nfs/dbraw/zinc/31/50/88/556315088.db2.gz UGGXKCUCKLOJJV-GFCCVEGCSA-N 0 0 447.469 2.580 50 0 IFAARN CCCn1nc(C(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1=O ZINC000032747927 556316576 /nfs/dbraw/zinc/31/65/76/556316576.db2.gz HFAHKMNQVRKIAC-UHFFFAOYSA-N 0 0 431.540 2.705 50 0 IFAARN O=C(CCN1C(=O)CCC1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000032747882 556316690 /nfs/dbraw/zinc/31/66/90/556316690.db2.gz TVWZCLMRVYVKEF-UHFFFAOYSA-N 0 0 441.478 2.738 50 0 IFAARN COCCN1C(=O)N(c2cccc(C)c2)C(=O)[C@H]1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000009934317 556318330 /nfs/dbraw/zinc/31/83/30/556318330.db2.gz NLXYBYSMVNMXGT-HXUWFJFHSA-N 0 0 441.484 2.825 50 0 IFAARN CCc1nn2c(nc(CN[C@@H](C)c3ccc(S(=O)(=O)N(CC)CC)cc3)cc2=O)s1 ZINC000032759431 556319400 /nfs/dbraw/zinc/31/94/00/556319400.db2.gz KLPPGVVYCOPAKI-AWEZNQCLSA-N 0 0 449.602 2.595 50 0 IFAARN CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 ZINC000032759472 556319880 /nfs/dbraw/zinc/31/98/80/556319880.db2.gz KXOBNCDEJNOUDA-UHFFFAOYSA-N 0 0 437.461 2.648 50 0 IFAARN Cc1nc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)ccc1I ZINC000010003641 556320394 /nfs/dbraw/zinc/32/03/94/556320394.db2.gz KABHBEDBPUKFCW-UHFFFAOYSA-N 0 0 441.250 2.850 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000032760557 556320728 /nfs/dbraw/zinc/32/07/28/556320728.db2.gz KSFDLAIXTAGJNC-GCJKJVERSA-N 0 0 448.571 2.939 50 0 IFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000032760561 556320758 /nfs/dbraw/zinc/32/07/58/556320758.db2.gz KSFDLAIXTAGJNC-PGRDOPGGSA-N 0 0 448.571 2.939 50 0 IFAARN O=S(=O)(N1CCCC1)N1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc32)CC1 ZINC000032760691 556321121 /nfs/dbraw/zinc/32/11/21/556321121.db2.gz LEJPVNACTLRTGT-UHFFFAOYSA-N 0 0 447.561 2.960 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@@]2(C)CC2(Cl)Cl)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000032754864 556324085 /nfs/dbraw/zinc/32/40/85/556324085.db2.gz BOFZQPQMVMULMU-CXAGYDPISA-N 0 0 431.272 2.886 50 0 IFAARN C[C@@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032776909 556326923 /nfs/dbraw/zinc/32/69/23/556326923.db2.gz PQZHVDCQKPBODG-OAHLLOKOSA-N 0 0 444.509 2.542 50 0 IFAARN COc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1F ZINC000032551599 556327488 /nfs/dbraw/zinc/32/74/88/556327488.db2.gz UQHBGSAPIMCSNT-UHFFFAOYSA-N 0 0 434.411 2.947 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)c(OC)c4)ccn3n2)cc1 ZINC000010273856 556329049 /nfs/dbraw/zinc/32/90/49/556329049.db2.gz KBPUSZMZUWZWEQ-UHFFFAOYSA-N 0 0 434.452 2.828 50 0 IFAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc(OC)c(OC)c2)n2nnnc2N3)cc1 ZINC000010295494 556329712 /nfs/dbraw/zinc/32/97/12/556329712.db2.gz NWKSYBJSCQKCMU-LJQANCHMSA-N 0 0 433.428 2.556 50 0 IFAARN CCOc1cc([C@@H]2c3c(-c4cccc(OC)c4)n[nH]c(=O)c3Nc3nnnn32)ccc1O ZINC000010296982 556330155 /nfs/dbraw/zinc/33/01/55/556330155.db2.gz MKLRXWFTXBTPMG-LJQANCHMSA-N 0 0 433.428 2.643 50 0 IFAARN O=C(NCc1cccnc1-n1ccnc1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000032778094 556331244 /nfs/dbraw/zinc/33/12/44/556331244.db2.gz JVIISIFFRSYPCR-UHFFFAOYSA-N 0 0 436.475 2.956 50 0 IFAARN CCOC(=O)N1CCC[C@@H](C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)C1 ZINC000032764500 556331664 /nfs/dbraw/zinc/33/16/64/556331664.db2.gz DICDPXLBYZWQOS-OAHLLOKOSA-N 0 0 449.573 2.906 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccccc3)c2=O)cc1OC ZINC000010338774 556333252 /nfs/dbraw/zinc/33/32/52/556333252.db2.gz KGLVQLHOOGVERY-UHFFFAOYSA-N 0 0 431.448 2.808 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)c1 ZINC000032768798 556333548 /nfs/dbraw/zinc/33/35/48/556333548.db2.gz VOKSGOYUDKBWSP-IBGZPJMESA-N 0 0 433.530 2.794 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3cc(C)on3)CC2=O)cc1 ZINC000013941730 556338632 /nfs/dbraw/zinc/33/86/32/556338632.db2.gz MMBFTNOUXMNPML-MRXNPFEDSA-N 0 0 448.545 2.785 50 0 IFAARN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1Cl ZINC000013943491 556340684 /nfs/dbraw/zinc/34/06/84/556340684.db2.gz UATNFYWCUVHEEM-LLVKDONJSA-N 0 0 426.878 2.773 50 0 IFAARN NC(=O)[C@H]1CCN(C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)C1 ZINC000095360820 556345277 /nfs/dbraw/zinc/34/52/77/556345277.db2.gz OMPBPXWLPOXAEO-LBPRGKRZSA-N 0 0 434.265 2.788 50 0 IFAARN CCN1C[C@H](CN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)Oc2ccccc21 ZINC000032781127 556347263 /nfs/dbraw/zinc/34/72/63/556347263.db2.gz USBOEHYPCOAOKW-SFHVURJKSA-N 0 0 431.558 2.733 50 0 IFAARN O=C(Cn1nc(C(F)F)c(Br)c1C1CC1)N1NC=C[C@]1(O)C(F)(F)F ZINC000013960183 556347316 /nfs/dbraw/zinc/34/73/16/556347316.db2.gz RAPYNLFGGJDRSE-LBPRGKRZSA-N 0 0 431.159 2.930 50 0 IFAARN CC(C)(C)NC(=O)CN1CCCN(CC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000022925297 556348113 /nfs/dbraw/zinc/34/81/13/556348113.db2.gz PYOQMNZVPIIDCD-UHFFFAOYSA-N 0 0 436.600 2.815 50 0 IFAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000013987091 556352247 /nfs/dbraw/zinc/35/22/47/556352247.db2.gz UJUKUUVHHHHFBM-UHFFFAOYSA-N 0 0 432.440 2.545 50 0 IFAARN COc1ccc([C@]2(CC(=O)N(C)Cc3nc4ccccc4[nH]3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000011785072 556352780 /nfs/dbraw/zinc/35/27/80/556352780.db2.gz LAZCMPYHWMCZPS-VWLOTQADSA-N 0 0 446.507 2.779 50 0 IFAARN COc1cc(C[C@]2(CCC(=O)NCc3cn4ccsc4n3)CCC(=O)N2)ccc1F ZINC000011784632 556352915 /nfs/dbraw/zinc/35/29/15/556352915.db2.gz FEFXHFULWSQTHP-NRFANRHFSA-N 0 0 430.505 2.831 50 0 IFAARN COCCCn1c(=O)c2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000013992295 556353152 /nfs/dbraw/zinc/35/31/52/556353152.db2.gz YKNLOFDCCUPBFA-UHFFFAOYSA-N 0 0 449.551 2.681 50 0 IFAARN CCN(C[C@@H]1CCCO1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000011786357 556353502 /nfs/dbraw/zinc/35/35/02/556353502.db2.gz MXVSVYBLWLOAPC-BKMJKUGQSA-N 0 0 449.551 2.739 50 0 IFAARN COc1ccc2c(c1)O[C@H](C)CN(CC(=O)N(Cc1ccccc1)C[C@@H]1CCC(=O)N1)C2 ZINC000011786606 556353526 /nfs/dbraw/zinc/35/35/26/556353526.db2.gz CBPADZFLWWKSJX-NQIIRXRSSA-N 0 0 437.540 2.586 50 0 IFAARN Cc1ccc2c(CC(=O)NC[C@H]3CCC4(CCN(C(=O)C5CC5)CC4)O3)cc(=O)oc2c1 ZINC000011786779 556353737 /nfs/dbraw/zinc/35/37/37/556353737.db2.gz IVQONFQHEPAPFX-LJQANCHMSA-N 0 0 438.524 2.710 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)c1ccnc(Cl)c1)CC2 ZINC000011788579 556354576 /nfs/dbraw/zinc/35/45/76/556354576.db2.gz KOTMNNFDENBXOD-SFHVURJKSA-N 0 0 442.907 2.745 50 0 IFAARN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)NCc1ccc2c(c1)OCO2 ZINC000014015925 556355599 /nfs/dbraw/zinc/35/55/99/556355599.db2.gz NTXPGLMOAWIJKU-LLVKDONJSA-N 0 0 431.905 2.838 50 0 IFAARN CCC(=O)[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)C1 ZINC000011791314 556356051 /nfs/dbraw/zinc/35/60/51/556356051.db2.gz OGUGCHVWEFRTSG-IBVKSMDESA-N 0 0 447.535 2.886 50 0 IFAARN COCCCN1C(=O)C[C@](CC(=O)NCc2ccc(OC)cc2)(c2ccccc2C)C1=O ZINC000011814337 556357518 /nfs/dbraw/zinc/35/75/18/556357518.db2.gz SEYGYDNGULNPDN-RUZDIDTESA-N 0 0 438.524 2.743 50 0 IFAARN Cn1ncc2c1ncn(CC(=O)NC[C@H](c1cccs1)c1c[nH]c3ccccc31)c2=O ZINC000014050831 556358547 /nfs/dbraw/zinc/35/85/47/556358547.db2.gz NQHBGTXLGKFZFS-INIZCTEOSA-N 0 0 432.509 2.621 50 0 IFAARN C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000022933752 556358965 /nfs/dbraw/zinc/35/89/65/556358965.db2.gz QBHQPZALZRVLJG-QGZVFWFLSA-N 0 0 438.519 2.635 50 0 IFAARN CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000014067603 556359695 /nfs/dbraw/zinc/35/96/95/556359695.db2.gz YCMCMRBTADJWAR-GOSISDBHSA-N 0 0 447.520 2.899 50 0 IFAARN CSc1ncc(CN2CCC[C@H](CNS(=O)(=O)c3cccc4cccnc43)C2)cn1 ZINC000011816735 556359692 /nfs/dbraw/zinc/35/96/92/556359692.db2.gz ZOBAVGHJBWXCPZ-MRXNPFEDSA-N 0 0 443.598 2.937 50 0 IFAARN CCOc1ccc(CN(C)C(=O)c2cnn(-c3ccc(OC)nn3)c2CC)cc1OC ZINC000032796768 556362417 /nfs/dbraw/zinc/36/24/17/556362417.db2.gz BLMGXPRHSOYLGS-UHFFFAOYSA-N 0 0 425.489 2.913 50 0 IFAARN O=C([C@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCC1 ZINC000014082983 556362743 /nfs/dbraw/zinc/36/27/43/556362743.db2.gz RUZATDBMKVYMFQ-FQEVSTJZSA-N 0 0 433.599 2.808 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000014084174 556363970 /nfs/dbraw/zinc/36/39/70/556363970.db2.gz OHMOBYKZEFRTSV-UHFFFAOYSA-N 0 0 428.432 2.656 50 0 IFAARN CCOC(=O)C1=C(CSc2nnnn2C2CCCC2)NC(=O)N[C@H]1c1cccs1 ZINC000032805957 556368243 /nfs/dbraw/zinc/36/82/43/556368243.db2.gz TVIFFJFEJDAXEE-HNNXBMFYSA-N 0 0 434.547 2.813 50 0 IFAARN CCOC(=O)c1cc(CC)sc1NC(=O)Cn1c2ccccc2c(=O)n(CC)c1=O ZINC000032808620 556369164 /nfs/dbraw/zinc/36/91/64/556369164.db2.gz GOLIOUAUWJRNKK-UHFFFAOYSA-N 0 0 429.498 2.622 50 0 IFAARN COc1ccc(C)cc1N1C[C@H](C(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)CC1=O ZINC000032808828 556369561 /nfs/dbraw/zinc/36/95/61/556369561.db2.gz PFJHEJQCHBJBSE-QGZVFWFLSA-N 0 0 448.523 2.863 50 0 IFAARN Cc1nn(CC(=O)N2CCCc3ccccc32)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000014117356 556371285 /nfs/dbraw/zinc/37/12/85/556371285.db2.gz LKAKJERNEISONV-UHFFFAOYSA-N 0 0 442.541 2.893 50 0 IFAARN CC(=O)N1CCN(C(=O)CCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000014121949 556372299 /nfs/dbraw/zinc/37/22/99/556372299.db2.gz MHZJASHMNBQGSM-OAQYLSRUSA-N 0 0 431.583 2.755 50 0 IFAARN O=c1cnc2ccccc2n1CCS(=O)(=O)NCCCCOc1ccc(Cl)cc1 ZINC000014123822 556372907 /nfs/dbraw/zinc/37/29/07/556372907.db2.gz DWGMFUNLKNYYGD-UHFFFAOYSA-N 0 0 435.933 2.829 50 0 IFAARN CC(C)(C)c1nnc2sc(SCC(=O)c3cccc(N4CCCC4=O)c3)nn2c1=O ZINC000014124295 556372926 /nfs/dbraw/zinc/37/29/26/556372926.db2.gz YFKIWLSWGJPHPM-UHFFFAOYSA-N 0 0 443.554 2.945 50 0 IFAARN Cc1c(C(=O)N2CCN(C=O)CC2)cnn1-c1nccc(-c2ccccc2C(F)(F)F)n1 ZINC000011909211 556374183 /nfs/dbraw/zinc/37/41/83/556374183.db2.gz VHJYLYVZTXMKMP-UHFFFAOYSA-N 0 0 444.417 2.571 50 0 IFAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000014136212 556375145 /nfs/dbraw/zinc/37/51/45/556375145.db2.gz JXPPGAKRPZQPQF-UHFFFAOYSA-N 0 0 448.394 2.998 50 0 IFAARN Cc1cc(CN(C)C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3ccncc3)C2=O)[nH]n1 ZINC000011911930 556375215 /nfs/dbraw/zinc/37/52/15/556375215.db2.gz IAJUJKNWIMQAQR-RUZDIDTESA-N 0 0 445.523 2.667 50 0 IFAARN COCCN(C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(Cc2cccnc2)C1=O)C(C)C ZINC000011912445 556375582 /nfs/dbraw/zinc/37/55/82/556375582.db2.gz GFEWICGDKADFOV-VWLOTQADSA-N 0 0 437.540 2.860 50 0 IFAARN COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)C1CCCCC1)CC2 ZINC000011913340 556375998 /nfs/dbraw/zinc/37/59/98/556375998.db2.gz NJUIRMRIHKKSFY-UHFFFAOYSA-N 0 0 439.512 2.574 50 0 IFAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O ZINC000014162021 556378620 /nfs/dbraw/zinc/37/86/20/556378620.db2.gz RBZHCTREQNYTEI-VWLOTQADSA-N 0 0 446.507 2.708 50 0 IFAARN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O ZINC000014162056 556378638 /nfs/dbraw/zinc/37/86/38/556378638.db2.gz KFHVFWQXMCCTCR-DEOSSOPVSA-N 0 0 446.463 2.965 50 0 IFAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCCc3cccnc3)cc2)CC1 ZINC000011938250 556379504 /nfs/dbraw/zinc/37/95/04/556379504.db2.gz CEGBNEDEMLOSBW-UHFFFAOYSA-N 0 0 425.529 2.851 50 0 IFAARN C[C@H](Cn1cccn1)C(=O)N1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000011956030 556380617 /nfs/dbraw/zinc/38/06/17/556380617.db2.gz CTRYDAYZKCHHRC-QGZVFWFLSA-N 0 0 426.517 2.948 50 0 IFAARN Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 ZINC000014171081 556381498 /nfs/dbraw/zinc/38/14/98/556381498.db2.gz YUTCGAYRNFFIQH-UHFFFAOYSA-N 0 0 439.331 2.610 50 0 IFAARN Cc1c(C(=O)N2CCCC[C@@H]2CCO)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000011968105 556382238 /nfs/dbraw/zinc/38/22/38/556382238.db2.gz UWFNRYJBQURZEF-MRXNPFEDSA-N 0 0 445.589 2.801 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000014184570 556384401 /nfs/dbraw/zinc/38/44/01/556384401.db2.gz OJHBUMBRUZEMID-QGZVFWFLSA-N 0 0 429.904 2.770 50 0 IFAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NC[C@H]1COc2ccccc2O1 ZINC000014184528 556384427 /nfs/dbraw/zinc/38/44/27/556384427.db2.gz FETDURVNGOREGB-AWEZNQCLSA-N 0 0 425.510 2.683 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000014184634 556384574 /nfs/dbraw/zinc/38/45/74/556384574.db2.gz KZCDXMVLYSBDBD-KSFYIVLOSA-N 0 0 441.484 2.709 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)NC(=O)COC(=O)c2ccccc2SCC(=O)N(C)C)[C@@H]1C ZINC000014185578 556385457 /nfs/dbraw/zinc/38/54/57/556385457.db2.gz GIRBUONXRWSUBU-BFYDXBDKSA-N 0 0 449.573 2.674 50 0 IFAARN O=C(CNC(=O)COc1cccc(N2CCCC2=O)c1)Nc1ccccc1Br ZINC000014186267 556386016 /nfs/dbraw/zinc/38/60/16/556386016.db2.gz HSPHLKYVCHXOCT-UHFFFAOYSA-N 0 0 446.301 2.710 50 0 IFAARN COc1ccccc1-c1ccnc(-n2ncc(C(=O)N(C)C[C@H]3COCCO3)c2C2CC2)n1 ZINC000012023330 556387106 /nfs/dbraw/zinc/38/71/06/556387106.db2.gz GAKDELTZZDVEEW-KRWDZBQOSA-N 0 0 449.511 2.703 50 0 IFAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000012027217 556388068 /nfs/dbraw/zinc/38/80/68/556388068.db2.gz FBYZALIZHKEPFI-UHFFFAOYSA-N 0 0 435.546 2.612 50 0 IFAARN COc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CC2)cc1OC ZINC000014196733 556388443 /nfs/dbraw/zinc/38/84/43/556388443.db2.gz PUYBFVLYMUNEAZ-SFHVURJKSA-N 0 0 443.569 2.714 50 0 IFAARN COCCCN1C(=O)C[C@](CC(=O)N(C)Cc2cccs2)(c2ccccc2OC)C1=O ZINC000012037714 556390212 /nfs/dbraw/zinc/39/02/12/556390212.db2.gz BLDGMCVZUCPPQO-HSZRJFAPSA-N 0 0 444.553 2.839 50 0 IFAARN CCOC(=O)CCNC(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C1CC1 ZINC000012039460 556390464 /nfs/dbraw/zinc/39/04/64/556390464.db2.gz BDAJOWLXZXXHBL-UHFFFAOYSA-N 0 0 435.484 2.898 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl ZINC000014200092 556390888 /nfs/dbraw/zinc/39/08/88/556390888.db2.gz AXLJZKWWRQCNKO-LLVKDONJSA-N 0 0 433.313 2.974 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl ZINC000014200091 556390929 /nfs/dbraw/zinc/39/09/29/556390929.db2.gz AXLJZKWWRQCNKO-NSHDSACASA-N 0 0 433.313 2.974 50 0 IFAARN CCC(=O)N[C@H](c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2)C(C)C ZINC000012041744 556391184 /nfs/dbraw/zinc/39/11/84/556391184.db2.gz ZWRPVSVENROUBN-FQEVSTJZSA-N 0 0 433.940 2.942 50 0 IFAARN CCN1C(=O)C[C@](CC(=O)N(C)CCc2cn[nH]c2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000012050964 556392493 /nfs/dbraw/zinc/39/24/93/556392493.db2.gz CREHPUUIFBYLIL-HXUWFJFHSA-N 0 0 436.434 2.536 50 0 IFAARN COCCCN1C(=O)C[C@@](CC(=O)N(C)C(C2CC2)C2CC2)(c2ccccc2OC)C1=O ZINC000012052785 556392730 /nfs/dbraw/zinc/39/27/30/556392730.db2.gz OGFVQSCZUOUMBT-VWLOTQADSA-N 0 0 442.556 2.766 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)s1 ZINC000012053179 556393131 /nfs/dbraw/zinc/39/31/31/556393131.db2.gz BYWOKNIJIFYEMX-CYBMUJFWSA-N 0 0 434.630 2.751 50 0 IFAARN CCc1cc(C(=O)NCc2cc(NC(=O)Cc3ccccc3)cc(C(=O)OC)c2)n(C)n1 ZINC000012053276 556393227 /nfs/dbraw/zinc/39/32/27/556393227.db2.gz NCNGCOTZCVTHCY-UHFFFAOYSA-N 0 0 434.496 2.880 50 0 IFAARN Cc1noc(C)c1CC(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012054129 556393395 /nfs/dbraw/zinc/39/33/95/556393395.db2.gz LAXUMXRDHMQRSR-HXUWFJFHSA-N 0 0 439.560 2.597 50 0 IFAARN CCc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCOCC3)CC2=O)cc1 ZINC000012062216 556395408 /nfs/dbraw/zinc/39/54/08/556395408.db2.gz DKMNTQXRJONYRQ-LJQANCHMSA-N 0 0 432.524 2.978 50 0 IFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000014227481 556395515 /nfs/dbraw/zinc/39/55/15/556395515.db2.gz FAVAUQCEZJJXRW-UHFFFAOYSA-N 0 0 437.468 2.506 50 0 IFAARN COc1ccc(OCCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000014230696 556397296 /nfs/dbraw/zinc/39/72/96/556397296.db2.gz KSRFTGWHOIGYPC-UHFFFAOYSA-N 0 0 432.542 2.955 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc1OCC ZINC000014244456 556404278 /nfs/dbraw/zinc/40/42/78/556404278.db2.gz CNPBQSMBJIGQBH-UHFFFAOYSA-N 0 0 447.919 2.964 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000014246379 556406347 /nfs/dbraw/zinc/40/63/47/556406347.db2.gz JUXVSGAJECDFAY-SFHVURJKSA-N 0 0 436.917 2.767 50 0 IFAARN Cc1ccc(S(=O)(=O)CCC(=O)OCc2nc(N)nc(Nc3ccc(F)cc3)n2)cc1 ZINC000014247532 556407411 /nfs/dbraw/zinc/40/74/11/556407411.db2.gz WMNIZBWEZZXNQH-UHFFFAOYSA-N 0 0 445.476 2.552 50 0 IFAARN COC(=O)C1CCN(C(=O)CN(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)CC1 ZINC000014247948 556407495 /nfs/dbraw/zinc/40/74/95/556407495.db2.gz XBMKVDXUHUHJBH-UHFFFAOYSA-N 0 0 426.460 2.673 50 0 IFAARN O=C(c1cccs1)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000014247842 556407522 /nfs/dbraw/zinc/40/75/22/556407522.db2.gz QZDUSQGXJSZVRI-UHFFFAOYSA-N 0 0 443.388 2.742 50 0 IFAARN Cc1noc(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000014250135 556408586 /nfs/dbraw/zinc/40/85/86/556408586.db2.gz SYFCAFFMMOXGSY-UHFFFAOYSA-N 0 0 429.901 2.550 50 0 IFAARN COc1ccc(CC[C@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000014254377 556410408 /nfs/dbraw/zinc/41/04/08/556410408.db2.gz UDGFTCCKHILLQE-PSLXWICFSA-N 0 0 439.468 2.694 50 0 IFAARN O=C(c1cc(-n2cccc2)ccc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000032646448 556412506 /nfs/dbraw/zinc/41/25/06/556412506.db2.gz YVPNIIVYPFRKLV-UHFFFAOYSA-N 0 0 431.464 2.902 50 0 IFAARN CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000014361249 556414842 /nfs/dbraw/zinc/41/48/42/556414842.db2.gz GYFBQTJQGAUHEK-UHFFFAOYSA-N 0 0 425.894 2.566 50 0 IFAARN COc1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000032674212 556415358 /nfs/dbraw/zinc/41/53/58/556415358.db2.gz AFCHLPSQENTEIA-UHFFFAOYSA-N 0 0 449.525 2.857 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000032674916 556415630 /nfs/dbraw/zinc/41/56/30/556415630.db2.gz RWCFKPLXPBJICG-AWEZNQCLSA-N 0 0 430.482 2.655 50 0 IFAARN COC(=O)c1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)cc1 ZINC000012939105 556416538 /nfs/dbraw/zinc/41/65/38/556416538.db2.gz JRJQPQGVSUDJTL-UHFFFAOYSA-N 0 0 436.917 2.840 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000032830879 556417096 /nfs/dbraw/zinc/41/70/96/556417096.db2.gz DLSNKQPISXKVSW-AWEZNQCLSA-N 0 0 430.505 2.966 50 0 IFAARN C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000032830382 556417098 /nfs/dbraw/zinc/41/70/98/556417098.db2.gz MSYVQNQRGCRWNO-HJPURHCSSA-N 0 0 439.468 2.572 50 0 IFAARN COc1cccc([C@@]2(C)NC(=O)N(C[C@@H](O)COc3ccc(Br)cc3)C2=O)c1 ZINC000012942719 556417306 /nfs/dbraw/zinc/41/73/06/556417306.db2.gz NBAASMAHDVNFBZ-FOIQADDNSA-N 0 0 449.301 2.665 50 0 IFAARN CCOc1ccccc1C(=O)N1CCC(NC(=O)CCn2c3ccccc3oc2=O)CC1 ZINC000032831093 556417364 /nfs/dbraw/zinc/41/73/64/556417364.db2.gz GMCGNCMSWWIAKV-UHFFFAOYSA-N 0 0 437.496 2.804 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(Cn3cccn3)cc2)cc1 ZINC000032837353 556418765 /nfs/dbraw/zinc/41/87/65/556418765.db2.gz LYBKYHXDDQVMDB-JOCHJYFZSA-N 0 0 438.553 2.709 50 0 IFAARN O=C1CCCN1CCCN1C[C@H](OCC2CC2)CN(Cc2cc3ccccc3o2)CC1=O ZINC000014530361 556419915 /nfs/dbraw/zinc/41/99/15/556419915.db2.gz SXPJPTMYHYCGCE-JOCHJYFZSA-N 0 0 439.556 2.885 50 0 IFAARN O=C1CCCN1CCCN1C[C@@H](OCC2CC2)CN(Cc2cc3ccccc3o2)CC1=O ZINC000014530360 556419985 /nfs/dbraw/zinc/41/99/85/556419985.db2.gz SXPJPTMYHYCGCE-QFIPXVFZSA-N 0 0 439.556 2.885 50 0 IFAARN C[C@@H](C(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012974798 556420534 /nfs/dbraw/zinc/42/05/34/556420534.db2.gz ZFTBGWLUQNAHPA-HNNXBMFYSA-N 0 0 447.523 2.849 50 0 IFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCC(c4nncn4C)CC3)cc2)C1 ZINC000012974906 556420938 /nfs/dbraw/zinc/42/09/38/556420938.db2.gz ZASDJSLJQUOPFC-IRXDYDNUSA-N 0 0 445.589 2.502 50 0 IFAARN CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)[C@@H]1CCCN(c3ccccn3)C1)CC2 ZINC000014533222 556421879 /nfs/dbraw/zinc/42/18/79/556421879.db2.gz RYUACSZCJFGHQW-GOSISDBHSA-N 0 0 437.544 2.666 50 0 IFAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012976682 556422171 /nfs/dbraw/zinc/42/21/71/556422171.db2.gz XCUUMPQDQBVBDH-UHFFFAOYSA-N 0 0 428.432 2.656 50 0 IFAARN O=C(CCCNC(=O)c1ccsc1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000012978404 556423050 /nfs/dbraw/zinc/42/30/50/556423050.db2.gz SVFGOYQGLGOWGT-UHFFFAOYSA-N 0 0 449.476 2.737 50 0 IFAARN CN1C(=O)[C@H]2CN(C(=O)c3ccc4ccccc4c3)CCN2C(=O)[C@@H]1Cc1ccccc1 ZINC000014536682 556423747 /nfs/dbraw/zinc/42/37/47/556423747.db2.gz NLRYDUSGTKTWJK-XZOQPEGZSA-N 0 0 427.504 2.576 50 0 IFAARN CC[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1OCC(=O)N(C)C ZINC000059777176 556423900 /nfs/dbraw/zinc/42/39/00/556423900.db2.gz JDAZRFKTDQSEMA-GOSISDBHSA-N 0 0 436.512 2.590 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000012979970 556423919 /nfs/dbraw/zinc/42/39/19/556423919.db2.gz JAMZFDZOBDTTCK-GFCCVEGCSA-N 0 0 435.933 2.728 50 0 IFAARN CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1cscn1)CC2 ZINC000014537323 556424012 /nfs/dbraw/zinc/42/40/12/556424012.db2.gz PBSFEELMLHJXBO-UHFFFAOYSA-N 0 0 426.498 2.772 50 0 IFAARN Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 ZINC000012980620 556424206 /nfs/dbraw/zinc/42/42/06/556424206.db2.gz SJHKOJYBROGBHS-UHFFFAOYSA-N 0 0 432.590 2.726 50 0 IFAARN CCN(CC(=O)Nc1c(F)cccc1F)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000012981463 556424435 /nfs/dbraw/zinc/42/44/35/556424435.db2.gz NQHRBCMEXFXDDM-CQSZACIVSA-N 0 0 430.455 2.989 50 0 IFAARN CCN(CC(=O)Nc1c(F)cccc1F)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012981461 556424484 /nfs/dbraw/zinc/42/44/84/556424484.db2.gz NQHRBCMEXFXDDM-AWEZNQCLSA-N 0 0 430.455 2.989 50 0 IFAARN CCn1nc(C)cc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 ZINC000014541787 556425912 /nfs/dbraw/zinc/42/59/12/556425912.db2.gz UCMODPGUGKCIPU-OAQYLSRUSA-N 0 0 439.560 2.809 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CCN(C(C)=O)CC2)cc1 ZINC000012984733 556425977 /nfs/dbraw/zinc/42/59/77/556425977.db2.gz VSBWTFWOPLVJPB-UHFFFAOYSA-N 0 0 429.542 2.643 50 0 IFAARN Cc1ccc(NC(=O)CSc2nc3sccc3c(N)n2)cc1S(=O)(=O)N(C)C ZINC000032841117 556426715 /nfs/dbraw/zinc/42/67/15/556426715.db2.gz PKVHADSCKCOCTR-UHFFFAOYSA-N 0 0 437.572 2.563 50 0 IFAARN C[C@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012989264 556428205 /nfs/dbraw/zinc/42/82/05/556428205.db2.gz XYJMLUDYELCRAE-MRXNPFEDSA-N 0 0 431.533 2.648 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cnc3ccccc3n2)cc1 ZINC000012990800 556428412 /nfs/dbraw/zinc/42/84/12/556428412.db2.gz WMEJSPUSUPLJEX-CQSZACIVSA-N 0 0 442.497 2.501 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000012991612 556428732 /nfs/dbraw/zinc/42/87/32/556428732.db2.gz QDQZUUOBARRFQZ-SHUWCMERSA-N 0 0 445.629 2.775 50 0 IFAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(Cl)cc1Cl ZINC000012991619 556428747 /nfs/dbraw/zinc/42/87/47/556428747.db2.gz BFCIRQIETSRPHY-UHFFFAOYSA-N 0 0 430.313 2.578 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000012995030 556430220 /nfs/dbraw/zinc/43/02/20/556430220.db2.gz DMLOHXKOLINSQL-UHFFFAOYSA-N 0 0 430.526 2.611 50 0 IFAARN O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012995807 556431104 /nfs/dbraw/zinc/43/11/04/556431104.db2.gz MQHXZXFFTFQOGW-UHFFFAOYSA-N 0 0 448.907 2.812 50 0 IFAARN Cc1ccccc1[C@H](C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012997177 556431591 /nfs/dbraw/zinc/43/15/91/556431591.db2.gz WTXBWIQOXOCLAG-SFHVURJKSA-N 0 0 433.549 2.708 50 0 IFAARN Cc1ccccc1[C@@H](C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012997175 556431626 /nfs/dbraw/zinc/43/16/26/556431626.db2.gz WTXBWIQOXOCLAG-GOSISDBHSA-N 0 0 433.549 2.708 50 0 IFAARN O=C(C1=Cc2ccccc2OC1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012998307 556432197 /nfs/dbraw/zinc/43/21/97/556432197.db2.gz GCYQTLKBZLXDTL-UHFFFAOYSA-N 0 0 436.892 2.788 50 0 IFAARN O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012998958 556432663 /nfs/dbraw/zinc/43/26/63/556432663.db2.gz JDPYAMCPADXXKM-HXUWFJFHSA-N 0 0 433.961 2.666 50 0 IFAARN CC(C)Cn1c(N)c(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O ZINC000032855995 556433265 /nfs/dbraw/zinc/43/32/65/556433265.db2.gz ZDJMZUBJVFVXIV-UHFFFAOYSA-N 0 0 436.843 2.817 50 0 IFAARN Cc1cc(NC(=O)CN2C(=O)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)n(-c2ccc(F)cc2)n1 ZINC000032858176 556434527 /nfs/dbraw/zinc/43/45/27/556434527.db2.gz UVIOWGKRUULCFO-GUYCJALGSA-N 0 0 441.463 2.628 50 0 IFAARN COc1ccc2c(c1)CCCN2C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000032858308 556434851 /nfs/dbraw/zinc/43/48/51/556434851.db2.gz NBRCXLJOUMZYKA-RUZDIDTESA-N 0 0 433.508 2.930 50 0 IFAARN Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1C ZINC000032850723 556435924 /nfs/dbraw/zinc/43/59/24/556435924.db2.gz LMCHLBAMZWBMDG-INIZCTEOSA-N 0 0 433.505 2.581 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cc2n[nH]c(=O)c3ccccc23)c1C ZINC000013014906 556436932 /nfs/dbraw/zinc/43/69/32/556436932.db2.gz CIPAYQPQTHPUGT-SFHVURJKSA-N 0 0 448.523 2.729 50 0 IFAARN O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1 ZINC000014732540 556437208 /nfs/dbraw/zinc/43/72/08/556437208.db2.gz KYYKBAURRCBMMR-WBAXXEDZSA-N 0 0 447.322 2.826 50 0 IFAARN Cc1ccc(-c2nonc2NC(=O)c2nn([C@@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 ZINC000027985910 556439025 /nfs/dbraw/zinc/43/90/25/556439025.db2.gz DLJKMMSOQMWQIF-OAHLLOKOSA-N 0 0 441.513 2.732 50 0 IFAARN C[C@@H](NC(=O)COC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1cccc2ccccc21 ZINC000027986704 556439115 /nfs/dbraw/zinc/43/91/15/556439115.db2.gz JLOWUUWAPYHJSA-MRXNPFEDSA-N 0 0 437.496 2.815 50 0 IFAARN CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N ZINC000032957525 556443239 /nfs/dbraw/zinc/44/32/39/556443239.db2.gz HWAPRWJVMBDQEV-UHFFFAOYSA-N 0 0 443.529 2.729 50 0 IFAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000028082388 556443562 /nfs/dbraw/zinc/44/35/62/556443562.db2.gz SAUJMEJPXNQFBR-UHFFFAOYSA-N 0 0 438.871 2.808 50 0 IFAARN O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N2C1)c1cccc(Br)c1 ZINC000014751570 556443707 /nfs/dbraw/zinc/44/37/07/556443707.db2.gz VZJIOSVQDKYIDD-BZSNNMDCSA-N 0 0 448.361 2.617 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)C2CCN(c3ccc4nncn4n3)CC2)c(OC)c1 ZINC000028107899 556443952 /nfs/dbraw/zinc/44/39/52/556443952.db2.gz CHUBOAGUTMAQII-LJQANCHMSA-N 0 0 436.516 2.722 50 0 IFAARN COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(Cc3cn(C)nc3C)CC2=O)cc1 ZINC000014752394 556444015 /nfs/dbraw/zinc/44/40/15/556444015.db2.gz YCWPFUHKXNGODK-DEOSSOPVSA-N 0 0 449.555 2.562 50 0 IFAARN C[C@H]1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2S1 ZINC000013038551 556444485 /nfs/dbraw/zinc/44/44/85/556444485.db2.gz ULDGJIUMFMZBER-SFHVURJKSA-N 0 0 445.610 2.910 50 0 IFAARN O=C(Oc1ccc(Cl)cc1)N1CCN2C(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]2C1 ZINC000014755771 556444692 /nfs/dbraw/zinc/44/46/92/556444692.db2.gz OEMASGPRWMSMNS-ZWKOTPCHSA-N 0 0 448.306 2.746 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000013040545 556446208 /nfs/dbraw/zinc/44/62/08/556446208.db2.gz BYNGMLQIRMPILJ-UHFFFAOYSA-N 0 0 441.431 2.779 50 0 IFAARN CCCCn1c2ncn(Cc3ccco3)c2c(=O)n(CC(=O)Nc2ccc(C)cc2)c1=O ZINC000013040417 556446344 /nfs/dbraw/zinc/44/63/44/556446344.db2.gz KLPDKHYBWLQQPG-UHFFFAOYSA-N 0 0 435.484 2.748 50 0 IFAARN O=C(NCc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013041447 556447472 /nfs/dbraw/zinc/44/74/72/556447472.db2.gz PLYAWIFODMEBCD-UHFFFAOYSA-N 0 0 430.526 2.953 50 0 IFAARN CCCCN(C(=O)Cc1ccc(OC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013041881 556448206 /nfs/dbraw/zinc/44/82/06/556448206.db2.gz JSNMWQLZJLFBDM-UHFFFAOYSA-N 0 0 436.512 2.552 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000032863081 556448306 /nfs/dbraw/zinc/44/83/06/556448306.db2.gz QRBVRAVZAFHIIF-KRWDZBQOSA-N 0 0 445.541 2.543 50 0 IFAARN COc1cc(OC)cc([C@H](Nc2ccc(S(=O)(=O)NC(C)C)cn2)c2nccn2C)c1 ZINC000032863494 556448606 /nfs/dbraw/zinc/44/86/06/556448606.db2.gz RDIHKHOTSPXOKU-FQEVSTJZSA-N 0 0 445.545 2.721 50 0 IFAARN CCn1c(C)cc(C(=O)COC(=O)[C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C ZINC000013056576 556448759 /nfs/dbraw/zinc/44/87/59/556448759.db2.gz SQYOIBJEXSMBMI-AWEZNQCLSA-N 0 0 446.500 2.695 50 0 IFAARN CCn1c(C)cc(C(=O)COC(=O)[C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C ZINC000013056574 556448913 /nfs/dbraw/zinc/44/89/13/556448913.db2.gz SQYOIBJEXSMBMI-CQSZACIVSA-N 0 0 446.500 2.695 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[C@@H]1C ZINC000013057474 556449145 /nfs/dbraw/zinc/44/91/45/556449145.db2.gz XTLWQNKCRURYSP-GPMSIDNRSA-N 0 0 427.998 2.587 50 0 IFAARN O=C(Cn1nnn(-c2cccs2)c1=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000032865591 556451147 /nfs/dbraw/zinc/45/11/47/556451147.db2.gz NZGSXWMOKDGQAS-SFHVURJKSA-N 0 0 444.520 2.920 50 0 IFAARN CC[C@@H](C)NC(=O)COC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000013063298 556451671 /nfs/dbraw/zinc/45/16/71/556451671.db2.gz IYGHVJDSJJTHNF-CQSZACIVSA-N 0 0 432.448 2.923 50 0 IFAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)COc1ccc(F)cc1Br ZINC000028305550 556451991 /nfs/dbraw/zinc/45/19/91/556451991.db2.gz NRVLDDJYQVYEND-NSHDSACASA-N 0 0 445.310 2.834 50 0 IFAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)COc1ccc(F)cc1Br ZINC000028305546 556452136 /nfs/dbraw/zinc/45/21/36/556452136.db2.gz NRVLDDJYQVYEND-LLVKDONJSA-N 0 0 445.310 2.834 50 0 IFAARN O=C(CN1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1)N1CCCCCC1 ZINC000028326840 556452432 /nfs/dbraw/zinc/45/24/32/556452432.db2.gz IKRCWOKUVRQERR-UHFFFAOYSA-N 0 0 429.952 2.891 50 0 IFAARN O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000013074176 556454618 /nfs/dbraw/zinc/45/46/18/556454618.db2.gz ODEBUYQOMNEJSI-UHFFFAOYSA-N 0 0 436.917 2.648 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cn2nnc(-c3ccccc3C)n2)c1 ZINC000013074389 556455007 /nfs/dbraw/zinc/45/50/07/556455007.db2.gz PPXVEHIOYWNZME-UHFFFAOYSA-N 0 0 442.545 2.626 50 0 IFAARN COC(=O)CSCCC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC000072275288 556455727 /nfs/dbraw/zinc/45/57/27/556455727.db2.gz GRSQUXCOFAMSED-UHFFFAOYSA-N 0 0 445.282 2.916 50 0 IFAARN CCCCN(C)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2nonc2C)C3=O)CC1 ZINC000014889257 556456270 /nfs/dbraw/zinc/45/62/70/556456270.db2.gz CEHZHCNKEJGZTK-UHFFFAOYSA-N 0 0 439.516 2.649 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3c3nc4ccccc4s3)nc2)CC1 ZINC000013096412 556457011 /nfs/dbraw/zinc/45/70/11/556457011.db2.gz TUPJYMIGARJVQN-GOSISDBHSA-N 0 0 443.598 2.969 50 0 IFAARN COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)nn2-c2ccccc2)CC1=O ZINC000013096707 556457236 /nfs/dbraw/zinc/45/72/36/556457236.db2.gz CDDZEOABDGSOIY-QGZVFWFLSA-N 0 0 448.479 2.724 50 0 IFAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)NN1C(=O)NC2(CCCCC2)C1=O ZINC000028638960 556457827 /nfs/dbraw/zinc/45/78/27/556457827.db2.gz VMEVSJJXPMBOPL-UHFFFAOYSA-N 0 0 447.495 2.901 50 0 IFAARN CNC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 ZINC000028675907 556458507 /nfs/dbraw/zinc/45/85/07/556458507.db2.gz VKXQUKARNXDLNB-UHFFFAOYSA-N 0 0 428.539 2.543 50 0 IFAARN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000014933279 556459198 /nfs/dbraw/zinc/45/91/98/556459198.db2.gz LIVFLXICHJOTLK-LJQANCHMSA-N 0 0 438.553 2.742 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000013098987 556459306 /nfs/dbraw/zinc/45/93/06/556459306.db2.gz BPFFMJVLBFZWAO-AWEZNQCLSA-N 0 0 430.555 2.762 50 0 IFAARN CCOc1ccccc1N1C[C@@H](C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)CC1=O ZINC000028719490 556459469 /nfs/dbraw/zinc/45/94/69/556459469.db2.gz XTNGUBWEJLHNCJ-ZDUSSCGKSA-N 0 0 447.417 2.816 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000013101335 556460498 /nfs/dbraw/zinc/46/04/98/556460498.db2.gz CFLJKLAIKLVIQZ-UHFFFAOYSA-N 0 0 443.569 2.795 50 0 IFAARN CC(C)C(=O)NCCc1nnc2n1CCN(C(=O)c1ccc(Oc3ccccc3)o1)CC2 ZINC000014951930 556460816 /nfs/dbraw/zinc/46/08/16/556460816.db2.gz AMFNXAMVZLQYJE-UHFFFAOYSA-N 0 0 437.500 2.677 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(OC)ccc1Br ZINC000013102249 556461081 /nfs/dbraw/zinc/46/10/81/556461081.db2.gz DUYKVAYIZQDNOH-UHFFFAOYSA-N 0 0 446.301 2.983 50 0 IFAARN O=C(CCCn1nnnc1CN1CCOCC1)NCCC(c1ccccc1)c1ccccc1 ZINC000014952849 556461218 /nfs/dbraw/zinc/46/12/18/556461218.db2.gz VKQIKFNMFGVNAV-UHFFFAOYSA-N 0 0 448.571 2.624 50 0 IFAARN Cc1nc(S[C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)sc1CC(N)=O ZINC000032871350 556462043 /nfs/dbraw/zinc/46/20/43/556462043.db2.gz WOHRPQYRUFKGHR-JIEKGTPASA-N 0 0 436.603 2.755 50 0 IFAARN Cc1nc(SCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)sc1CC(N)=O ZINC000032871373 556462380 /nfs/dbraw/zinc/46/23/80/556462380.db2.gz WDTIKPJPZZAYED-IBGZPJMESA-N 0 0 435.571 2.856 50 0 IFAARN CCOc1ccc(CCNC(=O)COC(=O)c2cc(=O)[nH]c3ccccc32)cc1OCC ZINC000013109021 556462658 /nfs/dbraw/zinc/46/26/58/556462658.db2.gz QEBJJRHKTPBCJO-UHFFFAOYSA-N 0 0 438.480 2.841 50 0 IFAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000013109549 556462929 /nfs/dbraw/zinc/46/29/29/556462929.db2.gz RUXZJOVKTLIGTK-KBPBESRZSA-N 0 0 426.344 2.878 50 0 IFAARN Cc1ccn(CCC(=O)NCc2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)n1 ZINC000014959124 556463513 /nfs/dbraw/zinc/46/35/13/556463513.db2.gz NJDZGRYUFRUKAW-IBGZPJMESA-N 0 0 440.573 2.809 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c3nc(C)nn32)CC1 ZINC000032871516 556464200 /nfs/dbraw/zinc/46/42/00/556464200.db2.gz WDJNFYWRQLSBQN-ZDUSSCGKSA-N 0 0 427.530 2.868 50 0 IFAARN O=CN1CCN(Cc2ccc(OCC[C@@H]3CCCCN3C(=O)c3cncs3)cc2)CC1 ZINC000014962673 556464658 /nfs/dbraw/zinc/46/46/58/556464658.db2.gz FIPAACYQTRSARG-FQEVSTJZSA-N 0 0 442.585 2.881 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2ccccc2c1 ZINC000013114283 556466541 /nfs/dbraw/zinc/46/65/41/556466541.db2.gz LCSGCFPBEYIOGL-UHFFFAOYSA-N 0 0 426.494 2.878 50 0 IFAARN Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)nn1C ZINC000014970068 556466791 /nfs/dbraw/zinc/46/67/91/556466791.db2.gz YPEHYMCJJMNOBI-JOCHJYFZSA-N 0 0 437.588 2.705 50 0 IFAARN CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@H](c2nccn2C)c2ccccc2F)c1 ZINC000029087485 556467025 /nfs/dbraw/zinc/46/70/25/556467025.db2.gz XAQADCRFXBXASB-IBGZPJMESA-N 0 0 430.505 2.765 50 0 IFAARN O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000029133838 556468191 /nfs/dbraw/zinc/46/81/91/556468191.db2.gz OQBFLNATRJTIGK-UHFFFAOYSA-N 0 0 427.935 2.835 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3cccc(C)c3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000029144482 556468414 /nfs/dbraw/zinc/46/84/14/556468414.db2.gz IWSDMRVYJYFOGI-HSZRJFAPSA-N 0 0 434.540 2.988 50 0 IFAARN C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000013117139 556469553 /nfs/dbraw/zinc/46/95/53/556469553.db2.gz XSUFDSFPXMQTHC-UBHSHLNASA-N 0 0 425.466 2.817 50 0 IFAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2C1 ZINC000029184548 556469659 /nfs/dbraw/zinc/46/96/59/556469659.db2.gz BTCQWFSEEYQFFK-IKGGRYGDSA-N 0 0 445.585 2.528 50 0 IFAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000029197343 556469984 /nfs/dbraw/zinc/46/99/84/556469984.db2.gz OIDIZGQCUBTREN-CQSZACIVSA-N 0 0 447.504 2.912 50 0 IFAARN O=C(c1cc(Br)ccc1F)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000029225475 556470216 /nfs/dbraw/zinc/47/02/16/556470216.db2.gz QYPLWGBPDZGRIO-UHFFFAOYSA-N 0 0 445.292 2.554 50 0 IFAARN O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000029232432 556470617 /nfs/dbraw/zinc/47/06/17/556470617.db2.gz FOBFNGBAIHDYSH-NHCUHLMSSA-N 0 0 438.528 2.530 50 0 IFAARN O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000029232417 556470622 /nfs/dbraw/zinc/47/06/22/556470622.db2.gz FOBFNGBAIHDYSH-LEWJYISDSA-N 0 0 438.528 2.530 50 0 IFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(CCNC(C)=O)cc2)C1=O ZINC000013117712 556470799 /nfs/dbraw/zinc/47/07/99/556470799.db2.gz ROSWTVBHHQEJOE-HSZRJFAPSA-N 0 0 425.460 2.544 50 0 IFAARN C[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1nnc2n1CCCCC2 ZINC000029255562 556470871 /nfs/dbraw/zinc/47/08/71/556470871.db2.gz LCEAKJATVCRSED-AWEZNQCLSA-N 0 0 440.573 2.922 50 0 IFAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000029341925 556472989 /nfs/dbraw/zinc/47/29/89/556472989.db2.gz HLXVSPZLRPSHQC-UHFFFAOYSA-N 0 0 438.871 2.818 50 0 IFAARN CCN(CC)c1nc(O)c(CC(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)s1 ZINC000013120772 556473040 /nfs/dbraw/zinc/47/30/40/556473040.db2.gz RTDROMJXMZDLKY-ZDUSSCGKSA-N 0 0 430.452 2.647 50 0 IFAARN CCOC(=O)c1ccsc1NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1 ZINC000029424654 556475012 /nfs/dbraw/zinc/47/50/12/556475012.db2.gz MXMKIXOABMVULZ-UHFFFAOYSA-N 0 0 436.291 2.980 50 0 IFAARN O=C(CN1C[C@H](c2ccccc2)CC1=O)NC[C@@H]1Cc2cc(F)cc(-c3cnccn3)c2O1 ZINC000014993147 556476247 /nfs/dbraw/zinc/47/62/47/556476247.db2.gz HTKRQLCFXICPAP-QUCCMNQESA-N 0 0 446.482 2.719 50 0 IFAARN O=CN1CCN(Cc2ccc(OCC[C@@H]3CCCCN3C(=O)c3ccncc3)cc2)CC1 ZINC000014995130 556477330 /nfs/dbraw/zinc/47/73/30/556477330.db2.gz NYSRRRGTBXJZLQ-QHCPKHFHSA-N 0 0 436.556 2.819 50 0 IFAARN COc1ccc(C(C)=O)cc1COC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000013129479 556479238 /nfs/dbraw/zinc/47/92/38/556479238.db2.gz CMPRXYPQQQMZDU-UHFFFAOYSA-N 0 0 447.509 2.584 50 0 IFAARN O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(Cc1c(F)cccc1F)CC2 ZINC000015002490 556480519 /nfs/dbraw/zinc/48/05/19/556480519.db2.gz PBWVVNSZIZZMNT-UHFFFAOYSA-N 0 0 429.446 2.613 50 0 IFAARN O=C(NCc1ccc(-n2ccnc2)nc1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000032876126 556483100 /nfs/dbraw/zinc/48/31/00/556483100.db2.gz BOCVWIGKUIJFRD-UHFFFAOYSA-N 0 0 436.475 2.956 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cccc2ccccc21 ZINC000013135132 556483386 /nfs/dbraw/zinc/48/33/86/556483386.db2.gz DVCOPAPRLZTZCP-UHFFFAOYSA-N 0 0 442.493 2.894 50 0 IFAARN O=C(CN1C(=S)N=NC1c1cccs1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000029817004 556483381 /nfs/dbraw/zinc/48/33/81/556483381.db2.gz UHETWVMLKUUZDV-UHFFFAOYSA-N 0 0 447.973 2.933 50 0 IFAARN Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000029871563 556484902 /nfs/dbraw/zinc/48/49/02/556484902.db2.gz QZSKXSNDACHUEM-FQEVSTJZSA-N 0 0 432.542 2.508 50 0 IFAARN O=C(CNC(=O)Cc1cccc2ccccc21)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000013138042 556485021 /nfs/dbraw/zinc/48/50/21/556485021.db2.gz QJKNQGMWXOEKOU-XMMPIXPASA-N 0 0 449.526 2.827 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@]2(C)CC2(Cl)Cl)NC(=O)N[C@@H]1c1ccccc1 ZINC000013138510 556485318 /nfs/dbraw/zinc/48/53/18/556485318.db2.gz COZCXKDCPHAIDQ-KDOFPFPSSA-N 0 0 427.284 2.985 50 0 IFAARN COc1ccccc1-c1nnc(SCC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1C ZINC000013138195 556485335 /nfs/dbraw/zinc/48/53/35/556485335.db2.gz GXGNIMXWUDKESX-UHFFFAOYSA-N 0 0 446.554 2.716 50 0 IFAARN O=C(C1CCN(C(=O)[C@H]2CCCN(c3cnccn3)C2)CC1)N1CCc2ccccc2C1 ZINC000029883632 556485596 /nfs/dbraw/zinc/48/55/96/556485596.db2.gz RXXCWUMETQMXJT-QFIPXVFZSA-N 0 0 433.556 2.517 50 0 IFAARN Cn1cnc(S(=O)(=O)N(Cc2ccc(F)cc2)c2ccc3[nH]c(=O)[nH]c3c2)c1Cl ZINC000072290515 556486237 /nfs/dbraw/zinc/48/62/37/556486237.db2.gz QDRVINFOXUYYKU-UHFFFAOYSA-N 0 0 435.868 2.778 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000029968922 556487665 /nfs/dbraw/zinc/48/76/65/556487665.db2.gz XPHCFONITGJUAE-HXUWFJFHSA-N 0 0 433.618 2.689 50 0 IFAARN CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccccc1 ZINC000015019815 556487760 /nfs/dbraw/zinc/48/77/60/556487760.db2.gz UGXSHMBLPUXIHF-UHFFFAOYSA-N 0 0 445.570 2.995 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC000013145570 556487723 /nfs/dbraw/zinc/48/77/23/556487723.db2.gz XZBIGZPYTYUXIS-UHFFFAOYSA-N 0 0 446.554 2.636 50 0 IFAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015022205 556488162 /nfs/dbraw/zinc/48/81/62/556488162.db2.gz ZPKGMTPGTKOPNI-QPXQOZNCSA-N 0 0 437.883 2.780 50 0 IFAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000029993191 556488525 /nfs/dbraw/zinc/48/85/25/556488525.db2.gz RDTZDVRMJBQRDN-QGZVFWFLSA-N 0 0 426.427 2.510 50 0 IFAARN COc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCOCC2)cc1 ZINC000029993397 556488576 /nfs/dbraw/zinc/48/85/76/556488576.db2.gz KGOYATRMTQLMTA-NFBKMPQASA-N 0 0 437.540 2.546 50 0 IFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000030014205 556489237 /nfs/dbraw/zinc/48/92/37/556489237.db2.gz SKCQGCWEYBVQOC-FQEVSTJZSA-N 0 0 442.475 2.742 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)CCOc1ccccc1F ZINC000015046289 556489815 /nfs/dbraw/zinc/48/98/15/556489815.db2.gz XOCKQEOHTBJTNO-UHFFFAOYSA-N 0 0 434.537 2.956 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000030064334 556490563 /nfs/dbraw/zinc/49/05/63/556490563.db2.gz HQMXNXQPKMTEKA-UHFFFAOYSA-N 0 0 438.553 2.871 50 0 IFAARN Nc1c(N(CCC2=CCCCC2)C(=O)[C@@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000013149888 556491590 /nfs/dbraw/zinc/49/15/90/556491590.db2.gz VSIICFQANDZQAK-IBGZPJMESA-N 0 0 438.528 2.570 50 0 IFAARN COc1ccc([C@@H]2CCCN2CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(OC)c1 ZINC000030281746 556492279 /nfs/dbraw/zinc/49/22/79/556492279.db2.gz VYVYCSCSUYWEIC-KRWDZBQOSA-N 0 0 429.498 2.851 50 0 IFAARN CS(=O)(=O)c1cccc(NC(=O)CNc2ccccc2I)c1 ZINC000030286336 556492666 /nfs/dbraw/zinc/49/26/66/556492666.db2.gz XFPGWCLCFBVLPB-UHFFFAOYSA-N 0 0 430.267 2.745 50 0 IFAARN O=C(C1CCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)CC1)N1CCCCC1 ZINC000015066882 556493095 /nfs/dbraw/zinc/49/30/95/556493095.db2.gz XDTZMCSHFLIHRI-GOSISDBHSA-N 0 0 425.529 2.691 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ncnc3ccccc32)ccc1C ZINC000013163598 556494026 /nfs/dbraw/zinc/49/40/26/556494026.db2.gz OQVUZXXGIFZZIQ-UHFFFAOYSA-N 0 0 428.514 2.986 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c1C ZINC000013164188 556496056 /nfs/dbraw/zinc/49/60/56/556496056.db2.gz IUKCULALDHHGKF-HSZRJFAPSA-N 0 0 439.468 2.645 50 0 IFAARN O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F ZINC000030583815 556498707 /nfs/dbraw/zinc/49/87/07/556498707.db2.gz UXQNCVSHIUNTAX-UHFFFAOYSA-N 0 0 429.261 2.961 50 0 IFAARN COC(=O)c1ccccc1-n1ncc(NC[C@H]2COc3ccccc3O2)c(Cl)c1=O ZINC000030619556 556500039 /nfs/dbraw/zinc/50/00/39/556500039.db2.gz ZHRQUGKMBKSTGV-ZDUSSCGKSA-N 0 0 427.844 2.924 50 0 IFAARN CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=S)n2CCc2ccc(OC)c(OC)c2)C1 ZINC000013322713 556502727 /nfs/dbraw/zinc/50/27/27/556502727.db2.gz HULJFYRPEPSARD-HNNXBMFYSA-N 0 0 440.591 2.730 50 0 IFAARN Cc1ccc2c(c1)S[C@H](C(=O)OCc1cccc(S(=O)(=O)N3CCOCC3)c1)C2 ZINC000032879593 556505121 /nfs/dbraw/zinc/50/51/21/556505121.db2.gz XGEKROACWRICFL-FQEVSTJZSA-N 0 0 433.551 2.776 50 0 IFAARN CCn1c(CSc2nnc(N)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015156243 556506812 /nfs/dbraw/zinc/50/68/12/556506812.db2.gz UDESBCTWFREBRY-UHFFFAOYSA-N 0 0 438.604 2.957 50 0 IFAARN O=C(OCCOc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015153075 556506882 /nfs/dbraw/zinc/50/68/82/556506882.db2.gz ANTLDDZKINLMOW-UHFFFAOYSA-N 0 0 443.880 2.736 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000013468979 556507616 /nfs/dbraw/zinc/50/76/16/556507616.db2.gz WFPYHBYBIXXFGM-PMACEKPBSA-N 0 0 440.477 2.868 50 0 IFAARN COc1cc(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)c(OC)cc1Cl ZINC000013496789 556509111 /nfs/dbraw/zinc/50/91/11/556509111.db2.gz PSJJIAKRYWLVHS-UHFFFAOYSA-N 0 0 429.951 2.534 50 0 IFAARN CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 ZINC000032885755 556510189 /nfs/dbraw/zinc/51/01/89/556510189.db2.gz FNPDIIJKTZJAJF-OAHLLOKOSA-N 0 0 442.607 2.609 50 0 IFAARN O=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000015203097 556510739 /nfs/dbraw/zinc/51/07/39/556510739.db2.gz FMEBXZUJKWEGEN-AWEZNQCLSA-N 0 0 442.497 2.502 50 0 IFAARN COc1ccc(CCN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1OC ZINC000030863690 556511690 /nfs/dbraw/zinc/51/16/90/556511690.db2.gz OWPDKCBMCSJLRW-KRWDZBQOSA-N 0 0 440.496 2.529 50 0 IFAARN CCN(C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000013525704 556512331 /nfs/dbraw/zinc/51/23/31/556512331.db2.gz VXZDRTXPFHHIRF-KRWDZBQOSA-N 0 0 427.950 2.731 50 0 IFAARN C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000032889193 556513977 /nfs/dbraw/zinc/51/39/77/556513977.db2.gz HCACMXUHQSAAID-LBPRGKRZSA-N 0 0 444.431 2.980 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)c1 ZINC000032895463 556515132 /nfs/dbraw/zinc/51/51/32/556515132.db2.gz VYUKFDNPZCVTJM-LJQANCHMSA-N 0 0 447.582 2.871 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccco1 ZINC000013554489 556515463 /nfs/dbraw/zinc/51/54/63/556515463.db2.gz OJUNXWCXLGPULU-GJDLODDASA-N 0 0 427.526 2.697 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccco1 ZINC000013554491 556515508 /nfs/dbraw/zinc/51/55/08/556515508.db2.gz OJUNXWCXLGPULU-XVRHYDNXSA-N 0 0 427.526 2.697 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)ccc1Cl ZINC000030938948 556515568 /nfs/dbraw/zinc/51/55/68/556515568.db2.gz PFWIDVLHAUBBQA-KRWDZBQOSA-N 0 0 438.889 2.601 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c(OC)cc1Cl ZINC000030942792 556516625 /nfs/dbraw/zinc/51/66/25/556516625.db2.gz COUYHPRFJOYVEG-INIZCTEOSA-N 0 0 440.905 2.913 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CS[C@@H](Cc3ccc(F)cc3)C(=O)N2)cc(OC)c1OC ZINC000032891657 556519545 /nfs/dbraw/zinc/51/95/45/556519545.db2.gz OCQQFPDLCXUBSB-YJBOKZPZSA-N 0 0 434.489 2.633 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCOC(C)C)C1 ZINC000013566399 556519596 /nfs/dbraw/zinc/51/95/96/556519596.db2.gz HSRSUHDVEXADEW-HNNXBMFYSA-N 0 0 432.970 2.681 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)cc(OC)c1)C(=O)OC ZINC000043746972 556520899 /nfs/dbraw/zinc/52/08/99/556520899.db2.gz QATGDIKBGJSNQD-YHJVDBJQSA-N 0 0 430.505 2.672 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccc(OC)cc3)n2)CC1 ZINC000013568886 556521165 /nfs/dbraw/zinc/52/11/65/556521165.db2.gz QDYDIRGLOVUXLJ-UHFFFAOYSA-N 0 0 435.484 2.857 50 0 IFAARN CN(C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000011078509 556521245 /nfs/dbraw/zinc/52/12/45/556521245.db2.gz GKTFWMCSXAQUQT-KRWDZBQOSA-N 0 0 438.505 2.704 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1C ZINC000032893716 556521276 /nfs/dbraw/zinc/52/12/76/556521276.db2.gz BPCRJUWGRRCENQ-UHFFFAOYSA-N 0 0 426.517 2.641 50 0 IFAARN COCCn1c(C)c(C)nc1SCC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C ZINC000032894025 556521631 /nfs/dbraw/zinc/52/16/31/556521631.db2.gz YKQDYGPDIMWVTJ-QGZVFWFLSA-N 0 0 439.603 2.899 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)[C@@H](c3cccc(F)c3)N3CCOCC3)CC2)cc1 ZINC000072296544 556522253 /nfs/dbraw/zinc/52/22/53/556522253.db2.gz AOSXOJWIWSQIGR-HSZRJFAPSA-N 0 0 425.504 2.750 50 0 IFAARN C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccc(F)cc1 ZINC000013571858 556522606 /nfs/dbraw/zinc/52/26/06/556522606.db2.gz ZTYHGZRFOGSEPX-CYYCYGDNSA-N 0 0 441.528 2.995 50 0 IFAARN COc1ccc([C@@H]2OCCn3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000013572377 556522862 /nfs/dbraw/zinc/52/28/62/556522862.db2.gz ZFHNPAGQOQCSRB-QHCPKHFHSA-N 0 0 447.491 2.848 50 0 IFAARN COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn(CCN3CCOCC3)c(=N)c21 ZINC000013572502 556523249 /nfs/dbraw/zinc/52/32/49/556523249.db2.gz YHNDFFIOEZNIDS-NRFANRHFSA-N 0 0 434.496 2.695 50 0 IFAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000015360710 556523408 /nfs/dbraw/zinc/52/34/08/556523408.db2.gz OYFBSCZBKSJZQI-UHFFFAOYSA-N 0 0 437.359 2.891 50 0 IFAARN CN(CC(F)F)C1CCN(C(=O)[C@@H]2CSCN2C(=O)c2c[nH]c3ccccc23)CC1 ZINC000072301414 556524847 /nfs/dbraw/zinc/52/48/47/556524847.db2.gz JRBKRGUMRJPOOE-SFHVURJKSA-N 0 0 436.528 2.871 50 0 IFAARN O=C(CSc1nn2c(nc3c(c2=O)CN(C[C@H]2CCCO2)CC3)s1)c1ccccc1 ZINC000015414339 556526283 /nfs/dbraw/zinc/52/62/83/556526283.db2.gz TYWGLVFBNDTUQH-OAHLLOKOSA-N 0 0 442.566 2.663 50 0 IFAARN COC(=O)C[C@@H]1CN=N[C@@]1(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000004426025 556526892 /nfs/dbraw/zinc/52/68/92/556526892.db2.gz FFNWZUULGQZUMN-XMSQKQJNSA-N 0 0 425.441 2.998 50 0 IFAARN CC(=O)c1ccc(OC[C@H](O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000032721118 556528718 /nfs/dbraw/zinc/52/87/18/556528718.db2.gz LGUXAUXGGFQYGZ-JOCHJYFZSA-N 0 0 439.556 2.502 50 0 IFAARN COc1cc(OC)c(NC(=O)[C@@H]2CCCN(c3ccc4nnc(C)n4n3)C2)cc1Cl ZINC000032101342 556529400 /nfs/dbraw/zinc/52/94/00/556529400.db2.gz BBDMETHWTFAFEZ-CYBMUJFWSA-N 0 0 430.896 2.958 50 0 IFAARN O=C(c1sccc1-n1cccc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000032899596 556531024 /nfs/dbraw/zinc/53/10/24/556531024.db2.gz HLNZRQZDQCSCMX-UHFFFAOYSA-N 0 0 425.539 2.566 50 0 IFAARN CC(=O)Nc1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000032901146 556532374 /nfs/dbraw/zinc/53/23/74/556532374.db2.gz BGQQLOLWLGNWTR-OAQYLSRUSA-N 0 0 429.542 2.813 50 0 IFAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1)N1CCCCCC1 ZINC000013624018 556536541 /nfs/dbraw/zinc/53/65/41/556536541.db2.gz HDRRAQURQIVQIN-SFHVURJKSA-N 0 0 433.574 2.617 50 0 IFAARN COc1ccc(-c2nc(C)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)s2)cc1 ZINC000013625268 556537083 /nfs/dbraw/zinc/53/70/83/556537083.db2.gz UNLZSCIBOSJSAY-UHFFFAOYSA-N 0 0 431.539 2.747 50 0 IFAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@H]1NC(=O)NC1=O)c1ccc(C)cc1 ZINC000004571498 556537411 /nfs/dbraw/zinc/53/74/11/556537411.db2.gz YDFBUWZDJQSEFH-WZONZLPQSA-N 0 0 428.533 2.544 50 0 IFAARN CCOCCCNC(=O)[C@@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(OC)cc1 ZINC000004571783 556537924 /nfs/dbraw/zinc/53/79/24/556537924.db2.gz WBBIZZIQWORWJY-NRFANRHFSA-N 0 0 427.501 2.668 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 ZINC000015615357 556538251 /nfs/dbraw/zinc/53/82/51/556538251.db2.gz XOXMVQCSZFWZNQ-SFHVURJKSA-N 0 0 430.526 2.927 50 0 IFAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC(C)(CO)CO)OC1(CCCCC1)CC3 ZINC000013628631 556538297 /nfs/dbraw/zinc/53/82/97/556538297.db2.gz IWCOPLCZHJWPOD-UHFFFAOYSA-N 0 0 429.513 2.531 50 0 IFAARN CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccncc2)cn3C2CC2)CC1 ZINC000032616683 556542657 /nfs/dbraw/zinc/54/26/57/556542657.db2.gz WSMNQBLZLGQWPO-UHFFFAOYSA-N 0 0 449.486 2.791 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccn3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000032625314 556542898 /nfs/dbraw/zinc/54/28/98/556542898.db2.gz QBTITTZUJCLZRL-XYSGSMRZSA-N 0 0 439.924 2.847 50 0 IFAARN CC[C@H](C)NC(=O)Cc1ccc(-n2c(=O)c3ccc(C(=O)OC)cc3[nH]c2=S)cc1 ZINC000032959271 556546329 /nfs/dbraw/zinc/54/63/29/556546329.db2.gz AGWZWDASFBWAHJ-ZDUSSCGKSA-N 0 0 425.510 2.918 50 0 IFAARN CSCC[C@@H](C(=O)NCCCc1nc2ccccc2[nH]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000032904023 556547500 /nfs/dbraw/zinc/54/75/00/556547500.db2.gz ICJHWPJNBNCYFW-FCEWJHQRSA-N 0 0 442.585 2.909 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3cnc4ccccc4c3O)CC2)c(OC)c1OC ZINC000032725016 556548450 /nfs/dbraw/zinc/54/84/50/556548450.db2.gz VZQCDMLIOBGHBY-UHFFFAOYSA-N 0 0 437.496 2.512 50 0 IFAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000032905055 556550227 /nfs/dbraw/zinc/55/02/27/556550227.db2.gz NBDQJOZZQFVZQB-OAQYLSRUSA-N 0 0 448.523 2.960 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@@H]2COc3ccc(Br)cc3C2)cc1OC ZINC000032998282 556552279 /nfs/dbraw/zinc/55/22/79/556552279.db2.gz FPLJEVBTWUCXQZ-ZDUSSCGKSA-N 0 0 428.304 2.748 50 0 IFAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)N(NC(=O)c2cccc(F)c2)C1=S ZINC000015799301 556552442 /nfs/dbraw/zinc/55/24/42/556552442.db2.gz KPTRIIKHUDTJEP-SFHVURJKSA-N 0 0 442.516 2.934 50 0 IFAARN COc1ccc(CNC(=O)CCn2cnc3onc(-c4ccccc4)c3c2=O)c(OC)c1 ZINC000033250116 556556993 /nfs/dbraw/zinc/55/69/93/556556993.db2.gz IHNKZQQLJTXPHG-UHFFFAOYSA-N 0 0 434.452 2.775 50 0 IFAARN COCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000033274717 556559179 /nfs/dbraw/zinc/55/91/79/556559179.db2.gz VXFWPNJGTWENTB-UHFFFAOYSA-N 0 0 448.541 2.689 50 0 IFAARN COCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CC1 ZINC000033274711 556559238 /nfs/dbraw/zinc/55/92/38/556559238.db2.gz UXKAGIPDCAAPOO-UHFFFAOYSA-N 0 0 445.541 2.630 50 0 IFAARN COc1cccc(NC(=O)CSc2nnc3[nH]c(=O)c(Cc4ccc(C)cc4)nn32)c1 ZINC000015882061 556560774 /nfs/dbraw/zinc/56/07/74/556560774.db2.gz SJMHXUCNPFTFTN-UHFFFAOYSA-N 0 0 436.497 2.864 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000015894218 556561934 /nfs/dbraw/zinc/56/19/34/556561934.db2.gz KRMUSJBFIHWDDU-LUFNOOMBSA-N 0 0 441.531 2.851 50 0 IFAARN CNS(=O)(=O)c1cc(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)ccc1C ZINC000032907945 556563898 /nfs/dbraw/zinc/56/38/98/556563898.db2.gz ONYBQJGCTSOEKL-UHFFFAOYSA-N 0 0 444.557 2.654 50 0 IFAARN CC(C)(C)OC(=O)N1CCN(CC(=O)NCCc2cnn(-c3ccccc3)c2)C(C)(C)C1 ZINC000072308685 556564963 /nfs/dbraw/zinc/56/49/63/556564963.db2.gz RHXUAFJCKPQHCT-UHFFFAOYSA-N 0 0 441.576 2.862 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)nc4ccccc43)CC2)cc1 ZINC000015929728 556565095 /nfs/dbraw/zinc/56/50/95/556565095.db2.gz LWPQKSVUNMELIH-UHFFFAOYSA-N 0 0 425.510 2.699 50 0 IFAARN Cc1ccc(NC(=O)CN2CCCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000072308621 556565221 /nfs/dbraw/zinc/56/52/21/556565221.db2.gz CBXLRXQLBLUIFI-UHFFFAOYSA-N 0 0 443.569 2.797 50 0 IFAARN CC(C)CN(C(=O)CN1CCCCc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000072308622 556565288 /nfs/dbraw/zinc/56/52/88/556565288.db2.gz KGAPISRWGUKQDY-UHFFFAOYSA-N 0 0 441.576 2.607 50 0 IFAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCC(NC(N)=O)CC2)sc2c1CC[C@H](C)C2 ZINC000072308779 556567034 /nfs/dbraw/zinc/56/70/34/556567034.db2.gz SFOXTIYZTBPENW-QWHCGFSZSA-N 0 0 436.578 2.509 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccc(F)cc1)n2C ZINC000015961089 556569346 /nfs/dbraw/zinc/56/93/46/556569346.db2.gz VACDVDDUWDDFOJ-UHFFFAOYSA-N 0 0 446.548 2.992 50 0 IFAARN Cc1ccc(NC(=O)CS(=O)(=O)c2nnc([C@@H](C)NC(=O)OC(C)(C)C)o2)c(C)c1 ZINC000015989278 556571404 /nfs/dbraw/zinc/57/14/04/556571404.db2.gz WCPUUUOIHDTVFW-CYBMUJFWSA-N 0 0 438.506 2.685 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nn2c(C)nc3ccccc3c2=O)ccc1Cl ZINC000015993875 556571827 /nfs/dbraw/zinc/57/18/27/556571827.db2.gz XKEXXWRNLJYSAM-UHFFFAOYSA-N 0 0 448.932 2.773 50 0 IFAARN CCOC(=O)C1=C(CSc2nc3nc(C)cc(C)n3n2)NC(=O)N[C@@H]1c1ccccc1 ZINC000032910395 556575087 /nfs/dbraw/zinc/57/50/87/556575087.db2.gz FPEYFVQUFAMUDB-QGZVFWFLSA-N 0 0 438.513 2.705 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000019535010 556575740 /nfs/dbraw/zinc/57/57/40/556575740.db2.gz LOWXCVJKNJQJFU-UHFFFAOYSA-N 0 0 433.434 2.867 50 0 IFAARN CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000032910577 556576600 /nfs/dbraw/zinc/57/66/00/556576600.db2.gz SEPUTKUTLPCDQI-AEFFLSMTSA-N 0 0 448.545 2.578 50 0 IFAARN CCOc1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1=O ZINC000016046652 556580319 /nfs/dbraw/zinc/58/03/19/556580319.db2.gz ZTVLEEGZZJGTES-SFHVURJKSA-N 0 0 436.512 2.815 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCCc4ccccc43)CC2)c(C)c1 ZINC000034854175 556583859 /nfs/dbraw/zinc/58/38/59/556583859.db2.gz APBSRRFXRYKZRG-QFIPXVFZSA-N 0 0 441.597 2.804 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000034866173 556584679 /nfs/dbraw/zinc/58/46/79/556584679.db2.gz KUYDHOHSHNDUIF-UHFFFAOYSA-N 0 0 425.913 2.733 50 0 IFAARN CCc1ccc(NC(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 ZINC000034878703 556585289 /nfs/dbraw/zinc/58/52/89/556585289.db2.gz GXWZOQWYYLHQKV-INIZCTEOSA-N 0 0 448.614 2.699 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(Cl)ccc3C)CC2)cc1 ZINC000034878572 556585305 /nfs/dbraw/zinc/58/53/05/556585305.db2.gz YZJYZJHTSTYSOU-UHFFFAOYSA-N 0 0 437.949 2.602 50 0 IFAARN Cc1nn(CC(=O)N[C@@H]2CCCC[C@H]2C)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000011103377 556587248 /nfs/dbraw/zinc/58/72/48/556587248.db2.gz CKPWFFITMGECEM-DNVCBOLYSA-N 0 0 430.574 2.946 50 0 IFAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000032966844 556587694 /nfs/dbraw/zinc/58/76/94/556587694.db2.gz TWMOTJIYINXRBM-QGZVFWFLSA-N 0 0 432.432 2.988 50 0 IFAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000032969296 556588573 /nfs/dbraw/zinc/58/85/73/556588573.db2.gz GPWNGCRRGLXVAR-VWLOTQADSA-N 0 0 444.491 2.704 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccc(F)cc2)cc1 ZINC000016217264 556592102 /nfs/dbraw/zinc/59/21/02/556592102.db2.gz YTVSANOEVWQBJI-UHFFFAOYSA-N 0 0 429.473 2.741 50 0 IFAARN CC(C)C(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(C)C ZINC000036072613 556592261 /nfs/dbraw/zinc/59/22/61/556592261.db2.gz JKEHUASGMHQGEG-UHFFFAOYSA-N 0 0 427.524 2.824 50 0 IFAARN COc1cc2c(cc1OC)n(CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)n1c2nc(=O)cc1C ZINC000004585723 556594469 /nfs/dbraw/zinc/59/44/69/556594469.db2.gz RSWNBAOCGLPMLX-UKPHBRMFSA-N 0 0 426.517 2.916 50 0 IFAARN CCOC(=O)N1CCC(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000036188480 556594542 /nfs/dbraw/zinc/59/45/42/556594542.db2.gz BTCIVULDFMYMQP-UHFFFAOYSA-N 0 0 431.558 2.767 50 0 IFAARN CCNC(=S)N1CCC([C@@H](NC(=O)c2ccccc2Cl)C(=O)N[C@@H](C)CC)CC1 ZINC000036214445 556594811 /nfs/dbraw/zinc/59/48/11/556594811.db2.gz ZEIJIDKLOGEYOY-KBXCAEBGSA-N 0 0 439.025 2.960 50 0 IFAARN CCOC(=O)C1C(CN(C)Cc2nc3ccccc3n2C)=NC(=O)N[C@H]1c1ccccc1 ZINC000072312003 556595996 /nfs/dbraw/zinc/59/59/96/556595996.db2.gz JYHWDWKAHQDFIS-QFIPXVFZSA-N 0 0 433.512 2.876 50 0 IFAARN COc1cc(C(=O)N2CCC(CC(=O)NCc3ccccn3)CC2)cc(OC)c1OC ZINC000032974240 556596309 /nfs/dbraw/zinc/59/63/09/556596309.db2.gz XXMKVTIFJWSEMG-UHFFFAOYSA-N 0 0 427.501 2.666 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCS(=O)(=O)c1ccccc1 ZINC000032976447 556600649 /nfs/dbraw/zinc/60/06/49/556600649.db2.gz UAECLYIJAFMBEI-UHFFFAOYSA-N 0 0 439.331 2.676 50 0 IFAARN Cc1ccccc1[C@@H](C)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C ZINC000032978711 556600915 /nfs/dbraw/zinc/60/09/15/556600915.db2.gz JCPQDYRVEPHEEA-IIBYNOLFSA-N 0 0 432.542 2.947 50 0 IFAARN CCOC(=O)COc1c(Cl)cc([C@@H]2NC(=S)N=C(C)C2C(=O)OCC)cc1OC ZINC000016361708 556602578 /nfs/dbraw/zinc/60/25/78/556602578.db2.gz MQTCEPFFLDPPNK-INIZCTEOSA-N 0 0 442.921 2.646 50 0 IFAARN COc1ccc(CNC(=O)COCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000032987362 556607451 /nfs/dbraw/zinc/60/74/51/556607451.db2.gz XYLOJIRHTURQPY-UHFFFAOYSA-N 0 0 442.497 2.641 50 0 IFAARN COC(=O)COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1OC ZINC000016448187 556608486 /nfs/dbraw/zinc/60/84/86/556608486.db2.gz RVSYMWZYRUKDNL-HXUWFJFHSA-N 0 0 425.441 2.514 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(CN2CCC3(C[C@@H]3c3nnc4n3CCCCC4)CC2)o1 ZINC000071890618 556608565 /nfs/dbraw/zinc/60/85/65/556608565.db2.gz CRTZRUNRXMABBK-QGZVFWFLSA-N 0 0 433.578 2.618 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCN1CCCCCC1=O ZINC000032988750 556608964 /nfs/dbraw/zinc/60/89/64/556608964.db2.gz SCCMXFUBFZCMEC-LJQANCHMSA-N 0 0 443.997 2.552 50 0 IFAARN CCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1 ZINC000016455940 556609629 /nfs/dbraw/zinc/60/96/29/556609629.db2.gz MJHIKBFZFATHKA-QHCPKHFHSA-N 0 0 440.475 2.713 50 0 IFAARN NC(=O)N[C@H](CC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(Br)c1 ZINC000032995820 556611357 /nfs/dbraw/zinc/61/13/57/556611357.db2.gz WBRNOGURXGFMRV-HUUCEWRRSA-N 0 0 434.290 2.505 50 0 IFAARN CCc1ccccc1-n1cnnc1SCC(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000032916015 556613527 /nfs/dbraw/zinc/61/35/27/556613527.db2.gz LONADQQZIKGBOO-UHFFFAOYSA-N 0 0 444.582 2.653 50 0 IFAARN C[C@H](C(=O)NCc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000016517767 556613530 /nfs/dbraw/zinc/61/35/30/556613530.db2.gz SCOFZRCHUIVTEL-LJQANCHMSA-N 0 0 437.565 2.851 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)C3CCN(C(=O)c4ccco4)CC3)ccc21 ZINC000016548368 556614976 /nfs/dbraw/zinc/61/49/76/556614976.db2.gz NBWFBZBILJPDJG-HNNXBMFYSA-N 0 0 438.480 2.855 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000016607005 556617039 /nfs/dbraw/zinc/61/70/39/556617039.db2.gz METOQEBONMBLPG-FNGUVFISSA-N 0 0 433.533 2.927 50 0 IFAARN CSc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C(=O)N1CCCCC1 ZINC000016624953 556618610 /nfs/dbraw/zinc/61/86/10/556618610.db2.gz PCBZCUWZZYCIJO-UHFFFAOYSA-N 0 0 433.555 2.934 50 0 IFAARN COc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000036211233 556620325 /nfs/dbraw/zinc/62/03/25/556620325.db2.gz GWHOZZBLBPCCTR-NRFANRHFSA-N 0 0 439.512 2.561 50 0 IFAARN Cc1nc2nc3ccn(NC(=O)c4cccnc4)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 ZINC000038828897 556620669 /nfs/dbraw/zinc/62/06/69/556620669.db2.gz MQFNFNJLLVRLSV-UHFFFAOYSA-N 0 0 431.843 2.847 50 0 IFAARN CSc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C(=O)N1CCOCC1 ZINC000016651286 556620716 /nfs/dbraw/zinc/62/07/16/556620716.db2.gz AIIIEQHMPXBTRR-UHFFFAOYSA-N 0 0 449.554 2.640 50 0 IFAARN CC(=O)N1CCc2cc(NC(=O)CNc3ccccc3C(=O)NCC(F)(F)F)ccc21 ZINC000011702516 556621021 /nfs/dbraw/zinc/62/10/21/556621021.db2.gz RFFOYQJGXUPZSN-UHFFFAOYSA-N 0 0 434.418 2.938 50 0 IFAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000016694320 556627912 /nfs/dbraw/zinc/62/79/12/556627912.db2.gz OQTBHGMIQNYGTD-UHFFFAOYSA-N 0 0 429.546 2.809 50 0 IFAARN COC(=O)C[C@@H]1C(=O)NCCN1Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000039466221 556629163 /nfs/dbraw/zinc/62/91/63/556629163.db2.gz BGLWPYJBAPURIH-OAQYLSRUSA-N 0 0 436.487 2.850 50 0 IFAARN CCOc1ccc(CN2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)cc1CO ZINC000039468303 556629172 /nfs/dbraw/zinc/62/91/72/556629172.db2.gz SZHYSHOQILTSLR-OAQYLSRUSA-N 0 0 432.536 2.794 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N(CC(C)C)CC(C)C ZINC000005071557 556630716 /nfs/dbraw/zinc/63/07/16/556630716.db2.gz BSZVGWFVLXCGJZ-UHFFFAOYSA-N 0 0 426.608 2.936 50 0 IFAARN CCCCOc1ccc(Cc2nn3c(nc2=O)s/c(=C\c2ccc(OC)cc2)c3=O)cc1 ZINC000016736724 556633560 /nfs/dbraw/zinc/63/35/60/556633560.db2.gz PLZHKQXJBFGCJI-QNGOZBTKSA-N 0 0 449.532 2.837 50 0 IFAARN COc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc(OC)c1OC ZINC000016751295 556637256 /nfs/dbraw/zinc/63/72/56/556637256.db2.gz IGTODYOYRCZXAS-LJQANCHMSA-N 0 0 439.464 2.973 50 0 IFAARN COc1cc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc(OC)c1OC ZINC000016751293 556637315 /nfs/dbraw/zinc/63/73/15/556637315.db2.gz IGTODYOYRCZXAS-IBGZPJMESA-N 0 0 439.464 2.973 50 0 IFAARN COc1ccc(NC(=O)CC2(n3cccc3)CCOCC2)cc1N1CCCCS1(=O)=O ZINC000409414489 556639736 /nfs/dbraw/zinc/63/97/36/556639736.db2.gz SMASVLOVPRNVLO-UHFFFAOYSA-N 0 0 447.557 2.961 50 0 IFAARN CCCN1C(=O)N=NC1S[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000016787808 556641652 /nfs/dbraw/zinc/64/16/52/556641652.db2.gz IJOWZJBBZBQEGQ-VIFPVBQESA-N 0 0 429.424 2.878 50 0 IFAARN CCn1c2ccc(F)cc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000011726383 556646935 /nfs/dbraw/zinc/64/69/35/556646935.db2.gz ZZDRURFUSGMWPU-LSDHQDQOSA-N 0 0 449.529 2.624 50 0 IFAARN C[C@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(CCc3ccccc3)c(=O)c2S1 ZINC000011726653 556647629 /nfs/dbraw/zinc/64/76/29/556647629.db2.gz BAPZIGHNHFKSOG-RDJZCZTQSA-N 0 0 445.610 2.910 50 0 IFAARN C[C@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3ccc(F)cc3)c(=O)c2S1 ZINC000011726689 556647929 /nfs/dbraw/zinc/64/79/29/556647929.db2.gz CTKCQBVXKMIEOW-WFASDCNBSA-N 0 0 435.546 2.796 50 0 IFAARN CC[C@H](C)N(C(=O)COC(=O)CSc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000011722563 556648482 /nfs/dbraw/zinc/64/84/82/556648482.db2.gz VXCKQVHAJUTZBZ-DLBZAZTESA-N 0 0 427.588 2.753 50 0 IFAARN CCc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(F)cc4)c3=O)n2)cc1 ZINC000038486762 556648841 /nfs/dbraw/zinc/64/88/41/556648841.db2.gz POZMLDGDXKZBML-UHFFFAOYSA-N 0 0 431.431 2.836 50 0 IFAARN Cc1nccn1-c1cc(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccn1 ZINC000247957894 556649267 /nfs/dbraw/zinc/64/92/67/556649267.db2.gz NATOFZIYOPPXMH-AQNXPRMDSA-N 0 0 435.528 2.558 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)CC1 ZINC000032999908 556653727 /nfs/dbraw/zinc/65/37/27/556653727.db2.gz WLJRSACRWFQQJU-UHFFFAOYSA-N 0 0 446.525 2.985 50 0 IFAARN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000017064990 556654983 /nfs/dbraw/zinc/65/49/83/556654983.db2.gz IYBXQELHNRPAOM-HNNXBMFYSA-N 0 0 432.542 2.979 50 0 IFAARN O=C(CSc1nc2ncccc2c(=O)n1C[C@H]1CCCO1)Nc1ccc(F)cc1F ZINC000032927125 556655987 /nfs/dbraw/zinc/65/59/87/556655987.db2.gz XIDFAGXCXGXHCY-CYBMUJFWSA-N 0 0 432.452 2.980 50 0 IFAARN O=C(/C=C/c1ccc(F)cc1)NCCN1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000017094417 556657606 /nfs/dbraw/zinc/65/76/06/556657606.db2.gz HVTAKYNGHVOQOP-YDWXAUTNSA-N 0 0 425.479 2.952 50 0 IFAARN COc1ccc(CC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033010428 556658106 /nfs/dbraw/zinc/65/81/06/556658106.db2.gz GDMPYGWMIABUIC-UHFFFAOYSA-N 0 0 434.496 2.875 50 0 IFAARN COC(=O)C1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)CC1 ZINC000011829348 556658918 /nfs/dbraw/zinc/65/89/18/556658918.db2.gz SQBWBZVGBORVPN-UHFFFAOYSA-N 0 0 431.558 2.946 50 0 IFAARN O=C(CCc1csc(NC(=O)c2ccccc2)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000011835015 556659418 /nfs/dbraw/zinc/65/94/18/556659418.db2.gz ZJJKVTONQIIGRL-UHFFFAOYSA-N 0 0 438.509 2.906 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1OC ZINC000017095918 556659494 /nfs/dbraw/zinc/65/94/94/556659494.db2.gz MRGMVCMXSPDCCQ-UHFFFAOYSA-N 0 0 428.532 2.581 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1C ZINC000017096253 556659939 /nfs/dbraw/zinc/65/99/39/556659939.db2.gz KITFSFPZOZGHMW-UHFFFAOYSA-N 0 0 428.963 2.652 50 0 IFAARN O=C(CSc1nnc(CC2CCCC2)[nH]1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000011885869 556668610 /nfs/dbraw/zinc/66/86/10/556668610.db2.gz BMELCRBDPSEIDK-QGZVFWFLSA-N 0 0 434.587 2.850 50 0 IFAARN COC(=O)[C@@H](NC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O)C(C)C ZINC000011910372 556669983 /nfs/dbraw/zinc/66/99/83/556669983.db2.gz MNOXAXSHZZKAGH-IBGZPJMESA-N 0 0 431.533 2.563 50 0 IFAARN C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)C1=O ZINC000011905001 556670892 /nfs/dbraw/zinc/67/08/92/556670892.db2.gz VJRDCLTVFHZXHC-JTQLQIEISA-N 0 0 432.882 2.592 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1Cl ZINC000011904998 556670916 /nfs/dbraw/zinc/67/09/16/556670916.db2.gz WLMWMHPGOHBYRP-LBPRGKRZSA-N 0 0 428.919 2.762 50 0 IFAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C ZINC000011906035 556671280 /nfs/dbraw/zinc/67/12/80/556671280.db2.gz CYNWKEHAIRJLAH-UHFFFAOYSA-N 0 0 428.919 2.824 50 0 IFAARN COC(=O)CCn1c(=O)c2ccccc2nc1SCC(=O)NCc1ccc(F)cc1 ZINC000017180810 556671896 /nfs/dbraw/zinc/67/18/96/556671896.db2.gz ITQAFHDYHIHAJZ-UHFFFAOYSA-N 0 0 429.473 2.507 50 0 IFAARN Cc1ccc2nc(CNC(=O)COc3ccc(N(C)Cc4ccc(F)cc4)nn3)cn2c1 ZINC000011912029 556672121 /nfs/dbraw/zinc/67/21/21/556672121.db2.gz MLWYPODSOBYSRP-UHFFFAOYSA-N 0 0 434.475 2.903 50 0 IFAARN O=C(COc1ccc(F)cc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011914024 556673263 /nfs/dbraw/zinc/67/32/63/556673263.db2.gz ODDOMMVXVUMNHG-ZDUSSCGKSA-N 0 0 446.294 2.776 50 0 IFAARN COc1cccc2sc(N3CCN(C(=O)CS(=O)(=O)Cc4ccccc4)CC3)nc21 ZINC000010619773 556674452 /nfs/dbraw/zinc/67/44/52/556674452.db2.gz XYHCMHTWEMPXPT-UHFFFAOYSA-N 0 0 445.566 2.569 50 0 IFAARN CCOc1ccc(N2CCn3c(SCC(=O)Nc4ccc(C(N)=O)cc4)nnc32)cc1 ZINC000017307716 556675071 /nfs/dbraw/zinc/67/50/71/556675071.db2.gz FPCIJZQODOOWFK-UHFFFAOYSA-N 0 0 438.513 2.658 50 0 IFAARN Cn1c(=O)c2c(n(C)c1=O)NC(c1ccc(Cl)cc1)=NC2(C(F)(F)F)C(F)(F)F ZINC000017359865 556676461 /nfs/dbraw/zinc/67/64/61/556676461.db2.gz MFEIZMHODFOWAT-UHFFFAOYSA-N 0 0 440.731 2.739 50 0 IFAARN Cn1c2ccc(Br)cc2s/c1=N\C(=O)CN1C(=O)c2ccccc2C1=O ZINC000100815851 556676752 /nfs/dbraw/zinc/67/67/52/556676752.db2.gz BFTQGWPSBZFMGA-ZZEZOPTASA-N 0 0 430.283 2.726 50 0 IFAARN COc1ccc(-c2cc(C(=O)Nc3nc(C)cs3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011996940 556678877 /nfs/dbraw/zinc/67/88/77/556678877.db2.gz SCOAPJODHJOVGP-CQSZACIVSA-N 0 0 432.527 2.936 50 0 IFAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000010629346 556683081 /nfs/dbraw/zinc/68/30/81/556683081.db2.gz OBADKMMFPAOOQL-GOSISDBHSA-N 0 0 443.481 2.662 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](CC)Sc1nc(N)cc(=O)[nH]1)CCCC2 ZINC000018094083 556683868 /nfs/dbraw/zinc/68/38/68/556683868.db2.gz BCJNBDYXAOFBPN-LLVKDONJSA-N 0 0 436.559 2.979 50 0 IFAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021009 556685418 /nfs/dbraw/zinc/68/54/18/556685418.db2.gz FSRFMZXZHLTKLK-CYBMUJFWSA-N 0 0 449.916 2.710 50 0 IFAARN O=C(CNc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000011116979 556686547 /nfs/dbraw/zinc/68/65/47/556686547.db2.gz VAONPOLGDHYLSJ-UHFFFAOYSA-N 0 0 433.961 2.774 50 0 IFAARN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000010640328 556686610 /nfs/dbraw/zinc/68/66/10/556686610.db2.gz UPSNVVZEOPJQCO-LLVKDONJSA-N 0 0 442.474 2.921 50 0 IFAARN CCCCC1C(=O)N=C(Sc2cc(O)n(-c3ccc(C(=O)OCC)cc3)c2O)NC1=O ZINC000018249929 556688252 /nfs/dbraw/zinc/68/82/52/556688252.db2.gz FPGIEPAUANAEKH-HNNXBMFYSA-N 0 0 445.497 2.831 50 0 IFAARN O=C(CNc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000011120857 556688366 /nfs/dbraw/zinc/68/83/66/556688366.db2.gz CBGWALJOYSXMOQ-UHFFFAOYSA-N 0 0 433.961 2.774 50 0 IFAARN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2CC(OCC(=O)N(C)C)C2)c1 ZINC000072313212 556688868 /nfs/dbraw/zinc/68/88/68/556688868.db2.gz JQLFGZWQPLKOKY-UHFFFAOYSA-N 0 0 448.523 2.786 50 0 IFAARN O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CCCCN1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000018272647 556689112 /nfs/dbraw/zinc/68/91/12/556689112.db2.gz FEERXLCCEREQFW-FPCVCCKLSA-N 0 0 425.312 2.802 50 0 IFAARN O=C(C[C@H]1NC(=O)N(c2ccccc2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000252490973 556690617 /nfs/dbraw/zinc/69/06/17/556690617.db2.gz LGUMZPWQVTVXJV-GOSISDBHSA-N 0 0 427.888 2.870 50 0 IFAARN COC(=O)c1nc(NC(=O)C[C@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1CC(C)C ZINC000252540605 556692270 /nfs/dbraw/zinc/69/22/70/556692270.db2.gz PQQPNTRBJYIOAK-CQSZACIVSA-N 0 0 444.513 2.782 50 0 IFAARN CCCn1nnc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCC4)C3)ccc21 ZINC000033023429 556693548 /nfs/dbraw/zinc/69/35/48/556693548.db2.gz XKGYXAVJXBYROM-INIZCTEOSA-N 0 0 433.578 2.691 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1OCC ZINC000033024121 556694531 /nfs/dbraw/zinc/69/45/31/556694531.db2.gz VHTTYBIQMOEPCY-QGZVFWFLSA-N 0 0 428.485 2.512 50 0 IFAARN CCCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000033024574 556695928 /nfs/dbraw/zinc/69/59/28/556695928.db2.gz PVCSAVFCXPBMNX-UHFFFAOYSA-N 0 0 435.937 2.822 50 0 IFAARN CC[C@@H](C)NC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033024917 556698424 /nfs/dbraw/zinc/69/84/24/556698424.db2.gz DTNDTNSEXMLBBN-CQSZACIVSA-N 0 0 429.546 2.947 50 0 IFAARN Cc1cccc(Nc2ccc(N3CCN(C(=O)Cn4cnc5ccccc54)CC3)nn2)n1 ZINC000049343631 556704684 /nfs/dbraw/zinc/70/46/84/556704684.db2.gz JUANWXPJGCZVBF-UHFFFAOYSA-N 0 0 428.500 2.622 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3[nH]cnc3c(=O)[nH]1)CCCC2 ZINC000033027538 556707204 /nfs/dbraw/zinc/70/72/04/556707204.db2.gz ILIASBGEPQGPJI-UHFFFAOYSA-N 0 0 433.515 2.906 50 0 IFAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019171616 556707501 /nfs/dbraw/zinc/70/75/01/556707501.db2.gz ALKCFVQKXGUQPN-QRVBRYPASA-N 0 0 442.313 2.993 50 0 IFAARN Cc1nc2nc(-c3ccccc3)nn2c(N2CCN(CCO)CC2)c1Cc1ccccc1 ZINC000019199917 556707829 /nfs/dbraw/zinc/70/78/29/556707829.db2.gz HTUWLEUZNYEIMI-UHFFFAOYSA-N 0 0 428.540 2.805 50 0 IFAARN COc1cccc(CN2CCN(C(=O)[C@H]3CCC(=O)N(Cc4ccccc4F)C3)CC2)c1 ZINC000019225912 556716992 /nfs/dbraw/zinc/71/69/92/556716992.db2.gz XAZWZIVHOJOTEJ-NRFANRHFSA-N 0 0 439.531 2.917 50 0 IFAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000138569271 556719067 /nfs/dbraw/zinc/71/90/67/556719067.db2.gz YDAZWDQJHIXODA-IPMKNSEASA-N 0 0 442.313 2.993 50 0 IFAARN Cc1ccc(-n2nc(N3CCCN(S(=O)(=O)c4cccs4)CC3)ccc2=O)cc1C ZINC000033037624 556723343 /nfs/dbraw/zinc/72/33/43/556723343.db2.gz JZEQCVLGYCYXEX-UHFFFAOYSA-N 0 0 444.582 2.812 50 0 IFAARN COc1ccc(CNC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1OC ZINC000072325574 556723379 /nfs/dbraw/zinc/72/33/79/556723379.db2.gz LDZZSFNIEBOZTB-UHFFFAOYSA-N 0 0 437.496 2.835 50 0 IFAARN COc1ccc2nc(NC(=O)[C@H](C)NC(=O)N3CCN(c4ccccn4)CC3)sc2c1 ZINC000061718301 556724521 /nfs/dbraw/zinc/72/45/21/556724521.db2.gz YZKIGSYTLZLJMF-AWEZNQCLSA-N 0 0 440.529 2.559 50 0 IFAARN C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000061719901 556726842 /nfs/dbraw/zinc/72/68/42/556726842.db2.gz WGEUIJIIUAJRKJ-AWEZNQCLSA-N 0 0 432.322 2.703 50 0 IFAARN CN(C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)C1CCCCC1 ZINC000072329707 556727370 /nfs/dbraw/zinc/72/73/70/556727370.db2.gz RUTGSMCXGSQVLX-UHFFFAOYSA-N 0 0 439.472 2.583 50 0 IFAARN O=C(NCCN1CCOCC1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000019285765 556727539 /nfs/dbraw/zinc/72/75/39/556727539.db2.gz YLKXTBCFQMJPLL-UHFFFAOYSA-N 0 0 425.436 2.539 50 0 IFAARN Cc1noc(C)c1CN1CC[NH+](C[C@@H](CC(=O)Nc2c(C)cccc2C)C(=O)[O-])CC1 ZINC000061721219 556729577 /nfs/dbraw/zinc/72/95/77/556729577.db2.gz BNEMCCHSVZDLBF-LJQANCHMSA-N 0 0 428.533 2.755 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)NC(=O)N1CCN(c2ccccc2)CC1 ZINC000061721446 556729618 /nfs/dbraw/zinc/72/96/18/556729618.db2.gz LKEFNORALGKCIW-INIZCTEOSA-N 0 0 439.516 2.512 50 0 IFAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3n2)cc1OC ZINC000054982103 556732424 /nfs/dbraw/zinc/73/24/24/556732424.db2.gz KOYVUANBJMFZAH-UHFFFAOYSA-N 0 0 449.433 2.820 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000055042337 556732831 /nfs/dbraw/zinc/73/28/31/556732831.db2.gz IYGNRRSTKOUBED-NRFANRHFSA-N 0 0 444.938 2.518 50 0 IFAARN COc1ccccc1N1CCN([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000055054375 556733100 /nfs/dbraw/zinc/73/31/00/556733100.db2.gz MXTPXFDSYVGLMR-OAQYLSRUSA-N 0 0 429.586 2.812 50 0 IFAARN COc1ccccc1N1CCN([C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000055054378 556733113 /nfs/dbraw/zinc/73/31/13/556733113.db2.gz MXTPXFDSYVGLMR-NRFANRHFSA-N 0 0 429.586 2.812 50 0 IFAARN CS(=O)(=O)c1ncc(CN2CCC(C(=O)c3ccccc3)CC2)n1C[C@H]1CCCO1 ZINC000055074085 556733994 /nfs/dbraw/zinc/73/39/94/556733994.db2.gz MOUNSAVZTVCZQS-HXUWFJFHSA-N 0 0 431.558 2.561 50 0 IFAARN Cc1nc2ccc(C(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)cc2nc1C ZINC000019295355 556734546 /nfs/dbraw/zinc/73/45/46/556734546.db2.gz BTMNRYSEHOWPOE-UHFFFAOYSA-N 0 0 438.532 2.638 50 0 IFAARN CC(C)Cn1c(SCc2nc(N)nc(Nc3ccccc3)n2)nnc1N1CCOCC1 ZINC000019298874 556734812 /nfs/dbraw/zinc/73/48/12/556734812.db2.gz SFOGIFSMHZKDQR-UHFFFAOYSA-N 0 0 441.565 2.574 50 0 IFAARN CCn1c2ccccc2nc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000010652095 556736225 /nfs/dbraw/zinc/73/62/25/556736225.db2.gz KBYYJNVRCNHUTE-HNNXBMFYSA-N 0 0 431.518 2.700 50 0 IFAARN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1nc2c(cc1=O)CN(C(=O)OCc1ccccc1)CC2 ZINC000078965380 556737364 /nfs/dbraw/zinc/73/73/64/556737364.db2.gz KDUCHSBYTHXGIL-HDICACEKSA-N 0 0 438.528 2.728 50 0 IFAARN Cn1ccnc1Sc1ncc(C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1Cl ZINC000078972328 556737373 /nfs/dbraw/zinc/73/73/73/556737373.db2.gz VSFGSFBMAPXGRI-CQSZACIVSA-N 0 0 438.937 2.802 50 0 IFAARN COc1ccc(CN2C[C@H](C(=O)N[C@@H](C)c3noc(Cc4ccccc4)n3)CC2=O)cc1 ZINC000079024917 556737701 /nfs/dbraw/zinc/73/77/01/556737701.db2.gz KYVLJVZEZRNCPW-QFBILLFUSA-N 0 0 434.496 2.895 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccn1)NCC(c1ccccc1)c1ccccc1 ZINC000055228354 556738225 /nfs/dbraw/zinc/73/82/25/556738225.db2.gz BKIZNUBHKTYDIC-XMMPIXPASA-N 0 0 428.536 2.720 50 0 IFAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CN2C(=O)CSC2=O)cc1 ZINC000019336355 556738584 /nfs/dbraw/zinc/73/85/84/556738584.db2.gz ZMEFBADLAVEONH-MRXNPFEDSA-N 0 0 428.514 2.706 50 0 IFAARN Cc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)nc21 ZINC000013793620 556739236 /nfs/dbraw/zinc/73/92/36/556739236.db2.gz DOZKVQZRQVYHML-JKSUJKDBSA-N 0 0 437.587 2.931 50 0 IFAARN CCc1nnc(SCC(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)o1 ZINC000055310099 556740104 /nfs/dbraw/zinc/74/01/04/556740104.db2.gz JHDMSSUAWNMINF-SFHVURJKSA-N 0 0 429.590 2.846 50 0 IFAARN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)CC1 ZINC000055342647 556740404 /nfs/dbraw/zinc/74/04/04/556740404.db2.gz UQSRAPFGTPEXCH-QGZVFWFLSA-N 0 0 425.558 2.831 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)N1CCOc2ccccc2C1 ZINC000055359391 556740489 /nfs/dbraw/zinc/74/04/89/556740489.db2.gz GTWFNFXZXYSCJD-LJQANCHMSA-N 0 0 431.895 2.591 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)/C=C/c3ccccc3)n2)cc1 ZINC000013798694 556741620 /nfs/dbraw/zinc/74/16/20/556741620.db2.gz GJRCWWNRDHCXKP-SAPNQHFASA-N 0 0 425.510 2.899 50 0 IFAARN COc1cc(NC(=O)CN2CCN(Cc3c(C)cc(C)cc3C)S2(=O)=O)cc(OC)c1 ZINC000033045448 556742271 /nfs/dbraw/zinc/74/22/71/556742271.db2.gz FTRSCEKAGJFTTP-UHFFFAOYSA-N 0 0 447.557 2.630 50 0 IFAARN CC[C@H](OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1)C(=O)Nc1nnc(C)s1 ZINC000005225772 556744832 /nfs/dbraw/zinc/74/48/32/556744832.db2.gz FJXSUUDNDQGLGD-CABCVRRESA-N 0 0 436.559 2.659 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)c1cncn1-c1ccc(F)cc1 ZINC000019354576 556745168 /nfs/dbraw/zinc/74/51/68/556745168.db2.gz KNQHZQJLZVNIIF-UHFFFAOYSA-N 0 0 426.404 2.774 50 0 IFAARN Cc1nnc2ccc(OCCNS(=O)(=O)c3ccc(Oc4ccccc4)cc3)nn12 ZINC000013846173 556745501 /nfs/dbraw/zinc/74/55/01/556745501.db2.gz KMISBBKMTHUAMK-UHFFFAOYSA-N 0 0 425.470 2.582 50 0 IFAARN COC(=O)c1nc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)sc1-c1ccc(F)cc1 ZINC000206231681 556748946 /nfs/dbraw/zinc/74/89/46/556748946.db2.gz JBPIEYIJBQGWCB-MRXNPFEDSA-N 0 0 438.444 2.950 50 0 IFAARN COC(=O)c1nc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)sc1Cc1ccccc1 ZINC000206243033 556749426 /nfs/dbraw/zinc/74/94/26/556749426.db2.gz NDLXBFUDLVBLDS-QGZVFWFLSA-N 0 0 448.508 2.930 50 0 IFAARN COc1ccc(COC[C@@H](O)CNC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 ZINC000057985513 556750431 /nfs/dbraw/zinc/75/04/31/556750431.db2.gz KDAATMBJPZSJRH-IBGZPJMESA-N 0 0 425.485 2.762 50 0 IFAARN COC(=O)C1(NS(=O)(=O)c2cc(Br)ccc2Br)CCCC1 ZINC000057991049 556750646 /nfs/dbraw/zinc/75/06/46/556750646.db2.gz JSWVDJCYQPLNOC-UHFFFAOYSA-N 0 0 441.141 2.976 50 0 IFAARN Cn1cc(C(=O)NC2CCN(Cc3nc(=O)c4cc(-c5ccccc5)sc4[nH]3)CC2)cn1 ZINC000057991000 556750660 /nfs/dbraw/zinc/75/06/60/556750660.db2.gz IWDQCTBOXCVQSK-UHFFFAOYSA-N 0 0 448.552 2.780 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CCn2c(C)csc2=O)ccc1Cl ZINC000057991555 556750932 /nfs/dbraw/zinc/75/09/32/556750932.db2.gz MNUJXEJCFMCWIP-UHFFFAOYSA-N 0 0 431.967 2.931 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Nc2cccc3cnccc32)CC1 ZINC000058004280 556752327 /nfs/dbraw/zinc/75/23/27/556752327.db2.gz WAROHZKSULGARH-UHFFFAOYSA-N 0 0 431.562 2.894 50 0 IFAARN O=S(=O)(Cc1csc(COc2ccc(F)cc2)n1)Cc1nnnn1-c1ccccc1 ZINC000058014108 556753523 /nfs/dbraw/zinc/75/35/23/556753523.db2.gz OBJRYWJBIAQHRV-UHFFFAOYSA-N 0 0 445.501 2.952 50 0 IFAARN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000058014401 556753748 /nfs/dbraw/zinc/75/37/48/556753748.db2.gz SWIISZQUNHPCFG-HXUWFJFHSA-N 0 0 425.554 2.703 50 0 IFAARN COc1ccccc1NC(=O)COc1ccc(C(=O)N[C@@H](C)c2nc(C)no2)cc1OC ZINC000058139149 556760883 /nfs/dbraw/zinc/76/08/83/556760883.db2.gz XLXMIGIMGCRBCH-ZDUSSCGKSA-N 0 0 440.456 2.904 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCCO2)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000058146083 556761716 /nfs/dbraw/zinc/76/17/16/556761716.db2.gz URYBMBNMCATWBP-UHFFFAOYSA-N 0 0 449.504 2.962 50 0 IFAARN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000058148272 556761997 /nfs/dbraw/zinc/76/19/97/556761997.db2.gz AWNMUQQXYNGWOW-JXFKEZNVSA-N 0 0 431.920 2.679 50 0 IFAARN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(c2ccccc2F)CC1 ZINC000061925459 556762801 /nfs/dbraw/zinc/76/28/01/556762801.db2.gz JAXWURHUQDZHBA-UHFFFAOYSA-N 0 0 440.475 2.863 50 0 IFAARN Cc1c(NC(=O)[C@H](C)Cn2nc(-c3ccco3)ccc2=O)c(=O)n(-c2ccccc2)n1C ZINC000061984055 556763132 /nfs/dbraw/zinc/76/31/32/556763132.db2.gz BDGGQFVJUWNLSO-OAHLLOKOSA-N 0 0 433.468 2.576 50 0 IFAARN Cc1nc2scc(-c3cccs3)c2c(N2CCN(CC(=O)N3CCOCC3)CC2)n1 ZINC000058158401 556763283 /nfs/dbraw/zinc/76/32/83/556763283.db2.gz GCKLRFLXPCWWGL-UHFFFAOYSA-N 0 0 443.598 2.709 50 0 IFAARN Cc1nc2scc(-c3ccccc3)c2c(N2CCN(CC(=O)N3CCOCC3)CC2)n1 ZINC000058160065 556764421 /nfs/dbraw/zinc/76/44/21/556764421.db2.gz QXRNUICPVGKWAW-UHFFFAOYSA-N 0 0 437.569 2.648 50 0 IFAARN CCOC(=O)c1csc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)n1 ZINC000062001749 556764580 /nfs/dbraw/zinc/76/45/80/556764580.db2.gz OABWOSZUWHATNA-UHFFFAOYSA-N 0 0 432.454 2.933 50 0 IFAARN O=S1(=O)CC[C@H](N2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)C1 ZINC000058161815 556765377 /nfs/dbraw/zinc/76/53/77/556765377.db2.gz YWUHZYADRBGVSP-INIZCTEOSA-N 0 0 432.546 2.807 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4ccc(-n5cccn5)nn4)CC3)CC2)c1 ZINC000062022702 556766029 /nfs/dbraw/zinc/76/60/29/556766029.db2.gz BDZRZRNBHCXVTI-UHFFFAOYSA-N 0 0 445.571 2.844 50 0 IFAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C[C@H](C)O)c(OC)c1 ZINC000206596677 556770212 /nfs/dbraw/zinc/77/02/12/556770212.db2.gz YSZXBIRFSGYVAM-NSHDSACASA-N 0 0 435.527 2.587 50 0 IFAARN O=C(C[S@](=O)Cc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccco2)CC1 ZINC000058215656 556772532 /nfs/dbraw/zinc/77/25/32/556772532.db2.gz OBQSYMZYHLSUJV-MHZLTWQESA-N 0 0 429.325 2.820 50 0 IFAARN C[C@H](C(=O)Nc1cccc(NC(=O)NCc2ccnc(-n3cccn3)c2)c1)n1cccn1 ZINC000058281084 556777205 /nfs/dbraw/zinc/77/72/05/556777205.db2.gz BVOKGSSRKMMFAU-MRXNPFEDSA-N 0 0 430.472 2.985 50 0 IFAARN O=C(NCc1cc(Br)ccc1F)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000058283376 556777445 /nfs/dbraw/zinc/77/74/45/556777445.db2.gz AOHLRMDZDKLNFX-RDJZCZTQSA-N 0 0 439.256 2.619 50 0 IFAARN Cc1ncc(CN(C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000058308103 556779279 /nfs/dbraw/zinc/77/92/79/556779279.db2.gz DRGVAVDQJDJKQB-OKILXGFUSA-N 0 0 438.575 2.913 50 0 IFAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(N)c(Cl)c3)CC2)cc1 ZINC000058312009 556779867 /nfs/dbraw/zinc/77/98/67/556779867.db2.gz NPDCGMXXUFJVGY-UHFFFAOYSA-N 0 0 436.965 2.761 50 0 IFAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)c(C)s1 ZINC000058326532 556780917 /nfs/dbraw/zinc/78/09/17/556780917.db2.gz ZVVHOPDEGQHVQB-OAQYLSRUSA-N 0 0 427.482 2.971 50 0 IFAARN C[C@@H]1CN(C(=O)C2CCN(C(=O)/C=C/c3cc4c(c(Cl)c3)OCO4)CC2)C[C@@H](C)O1 ZINC000058391693 556784771 /nfs/dbraw/zinc/78/47/71/556784771.db2.gz YUPDJHXWGXEDOX-LRPXVYOUSA-N 0 0 434.920 2.956 50 0 IFAARN CONS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000058404405 556785664 /nfs/dbraw/zinc/78/56/64/556785664.db2.gz XUWFBCHKSMOOOK-GOSISDBHSA-N 0 0 432.498 2.665 50 0 IFAARN Cc1c(=O)c2cccc(C(=O)NCCN3CCCS3(=O)=O)c2oc1-c1ccccc1 ZINC000058418360 556787043 /nfs/dbraw/zinc/78/70/43/556787043.db2.gz PHAZBAFXHLQEHN-UHFFFAOYSA-N 0 0 426.494 2.534 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000058441664 556789175 /nfs/dbraw/zinc/78/91/75/556789175.db2.gz JNQKBVZTZVQWAL-LPHOPBHVSA-N 0 0 433.911 2.694 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cnc3c(cnn3C(C)C)c2)cc1OC ZINC000058481554 556789534 /nfs/dbraw/zinc/78/95/34/556789534.db2.gz LCQYMWISTVTHIY-AWEZNQCLSA-N 0 0 426.473 2.891 50 0 IFAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)N3CCC(c4ccccc4)=N3)C2=O)cc1 ZINC000011182738 556792048 /nfs/dbraw/zinc/79/20/48/556792048.db2.gz MCKIAEXQGVSJDJ-DEOSSOPVSA-N 0 0 434.496 2.575 50 0 IFAARN CC(C)CN(CC(F)(F)F)C(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000058910309 556792775 /nfs/dbraw/zinc/79/27/75/556792775.db2.gz QNCHMPDAEFZVDU-AWEZNQCLSA-N 0 0 431.480 2.894 50 0 IFAARN CC(C)CN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000058910303 556792798 /nfs/dbraw/zinc/79/27/98/556792798.db2.gz QNCHMPDAEFZVDU-CQSZACIVSA-N 0 0 431.480 2.894 50 0 IFAARN O=C1c2ccccc2S(=O)(=O)N1CCSc1nnc(COc2ccc(F)cc2)o1 ZINC000011195232 556795540 /nfs/dbraw/zinc/79/55/40/556795540.db2.gz CBVKOVRHMIDNON-UHFFFAOYSA-N 0 0 435.458 2.725 50 0 IFAARN CN(CC(=O)Nc1ccc(F)cc1Br)C1=NS(=O)(=O)c2ccccc21 ZINC000059305195 556797443 /nfs/dbraw/zinc/79/74/43/556797443.db2.gz ALAZWEKPHIEFEN-UHFFFAOYSA-N 0 0 426.267 2.608 50 0 IFAARN O=c1/c(=C/c2ccc(Br)cc2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12 ZINC000002447834 556799292 /nfs/dbraw/zinc/79/92/92/556799292.db2.gz UUHBNOZASFMUJL-YBEGLDIGSA-N 0 0 444.285 2.551 50 0 IFAARN O=C(Cn1ncc2ccccc2c1=O)NCCn1ccc2cc(Br)ccc21 ZINC000072401100 556799835 /nfs/dbraw/zinc/79/98/35/556799835.db2.gz PMLVDXDNLVHBED-UHFFFAOYSA-N 0 0 425.286 2.930 50 0 IFAARN O=C(Cn1cnc2ccccc2c1=O)NCCn1ccc2cc(Br)ccc21 ZINC000072401561 556800694 /nfs/dbraw/zinc/80/06/94/556800694.db2.gz RZTRMCRFKXUIOM-UHFFFAOYSA-N 0 0 425.286 2.930 50 0 IFAARN COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Br ZINC000019558951 556800936 /nfs/dbraw/zinc/80/09/36/556800936.db2.gz YIDIFUYDJUTZHE-UHFFFAOYSA-N 0 0 425.348 2.964 50 0 IFAARN CCOC(=O)C[C@H](c1ccc(OCc2ccccn2)cc1)c1oc(CO)cc(=O)c1O ZINC000072401612 556800959 /nfs/dbraw/zinc/80/09/59/556800959.db2.gz AGOBCWNOHSDYCD-LJQANCHMSA-N 0 0 425.437 2.897 50 0 IFAARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000002627903 556800986 /nfs/dbraw/zinc/80/09/86/556800986.db2.gz YXKUYCSEPIXGEP-UHFFFAOYSA-N 0 0 445.501 2.646 50 0 IFAARN CCOC(=O)c1sc2[nH]c(COC(=O)COc3ccccc3OC)nc(=O)c2c1C ZINC000002632754 556801287 /nfs/dbraw/zinc/80/12/87/556801287.db2.gz VAOYQLKQWIGZHI-UHFFFAOYSA-N 0 0 432.454 2.601 50 0 IFAARN O=C(NCCOc1cccc2ccccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000059581667 556802562 /nfs/dbraw/zinc/80/25/62/556802562.db2.gz JUWUSCWILXINIO-UHFFFAOYSA-N 0 0 440.521 2.670 50 0 IFAARN COc1ccc(OC)c(/C=C/C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000002659092 556802837 /nfs/dbraw/zinc/80/28/37/556802837.db2.gz GJLDIMTUBOOEPS-BJMVGYQFSA-N 0 0 435.379 2.818 50 0 IFAARN O=C1c2cccc3c(NC(CO)(CO)CO)ccc(c32)C(=O)N1c1cccc2ccccc21 ZINC000003045199 556803401 /nfs/dbraw/zinc/80/34/01/556803401.db2.gz ONVTUMLUSUMTMJ-UHFFFAOYSA-N 0 0 442.471 2.921 50 0 IFAARN Cc1nn(CC(=O)NCc2ccco2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033057785 556807787 /nfs/dbraw/zinc/80/77/87/556807787.db2.gz LNTLBSVOJAADRZ-UHFFFAOYSA-N 0 0 428.452 2.591 50 0 IFAARN COc1cccc(CNS(=O)(=O)c2ccc(-c3n[nH]cc3C(=O)N3CCCCC3)o2)c1 ZINC000097940814 556811160 /nfs/dbraw/zinc/81/11/60/556811160.db2.gz HTAIHQARPSJIFS-UHFFFAOYSA-N 0 0 444.513 2.783 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c(OC)n1 ZINC000061969829 556812404 /nfs/dbraw/zinc/81/24/04/556812404.db2.gz ABZBQIFXTFJTAK-GOSISDBHSA-N 0 0 440.544 2.534 50 0 IFAARN Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)c(C)c1 ZINC000097943465 556813182 /nfs/dbraw/zinc/81/31/82/556813182.db2.gz BDLZIXTYJSRWOI-JOCHJYFZSA-N 0 0 445.523 2.765 50 0 IFAARN CCOC(=O)c1noc2nc(C)n([C@H](CC)C(=O)N3CCOc4ccc(C)cc43)c(=O)c21 ZINC000033059530 556815698 /nfs/dbraw/zinc/81/56/98/556815698.db2.gz IGTNMWRWJRSEJC-CQSZACIVSA-N 0 0 440.456 2.555 50 0 IFAARN COc1cc(OC)cc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000003529801 556817368 /nfs/dbraw/zinc/81/73/68/556817368.db2.gz RUISRKKWNCMFBK-UHFFFAOYSA-N 0 0 447.509 2.918 50 0 IFAARN COc1ccc(OC)c(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000003557509 556817736 /nfs/dbraw/zinc/81/77/36/556817736.db2.gz AMPLZNLBAYOBGZ-UXBLZVDNSA-N 0 0 444.553 2.867 50 0 IFAARN CCOc1ccccc1CNC(=O)CCc1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000033062689 556818236 /nfs/dbraw/zinc/81/82/36/556818236.db2.gz BMNGBIJYAIPCNQ-UHFFFAOYSA-N 0 0 429.498 2.691 50 0 IFAARN Cc1ccc(SCC(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000004768634 556823298 /nfs/dbraw/zinc/82/32/98/556823298.db2.gz OTGJOFGHLHNKCK-QGZVFWFLSA-N 0 0 427.588 2.610 50 0 IFAARN CCOCCCn1c(SCC(=O)N[C@@H](C)COC)nc2sc(C)c(C)c2c1=O ZINC000004790117 556823423 /nfs/dbraw/zinc/82/34/23/556823423.db2.gz OCVCQUMUCJVQEE-LBPRGKRZSA-N 0 0 427.592 2.745 50 0 IFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NCc1cccnc1 ZINC000033068530 556823381 /nfs/dbraw/zinc/82/33/81/556823381.db2.gz NSEMIZCYIDMNQJ-UHFFFAOYSA-N 0 0 434.883 2.576 50 0 IFAARN CCOc1ccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1 ZINC000064591363 556824812 /nfs/dbraw/zinc/82/48/12/556824812.db2.gz MFKSDBFBCNSAII-UHFFFAOYSA-N 0 0 432.436 2.929 50 0 IFAARN COc1ccc(OCC(=O)N2CCc3c(c(C(=O)NCc4cccc(C)c4)nn3C)C2)cc1 ZINC000064892980 556828061 /nfs/dbraw/zinc/82/80/61/556828061.db2.gz VZZCVSPAKCROPM-UHFFFAOYSA-N 0 0 448.523 2.631 50 0 IFAARN Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(C(=O)c1c(F)cccc1F)C2 ZINC000064893023 556828214 /nfs/dbraw/zinc/82/82/14/556828214.db2.gz KYXPLPNQVAHLKD-UHFFFAOYSA-N 0 0 428.414 2.966 50 0 IFAARN Cc1cccc(OCC(=O)N2CCc3c(c(C(=O)NCc4ccc(F)cc4)nn3C)C2)c1 ZINC000064893031 556828237 /nfs/dbraw/zinc/82/82/37/556828237.db2.gz ZIOGBXATWLZMLO-UHFFFAOYSA-N 0 0 436.487 2.761 50 0 IFAARN COc1ccc(NC(=O)N2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)c(OC)c1 ZINC000064893654 556828600 /nfs/dbraw/zinc/82/86/00/556828600.db2.gz ODYRXKDQOHJJGL-UHFFFAOYSA-N 0 0 427.505 2.654 50 0 IFAARN CC(C)c1c(C(=O)NCCN2CCOCC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000019595582 556830669 /nfs/dbraw/zinc/83/06/69/556830669.db2.gz CRMQPQVUEGJELE-UHFFFAOYSA-N 0 0 438.507 2.654 50 0 IFAARN O=S(=O)(c1ccc(NC(=S)NCCc2cccc(Cl)c2)cc1)N1CCOCC1 ZINC000019630959 556832569 /nfs/dbraw/zinc/83/25/69/556832569.db2.gz UFICZEZEWDXOCA-UHFFFAOYSA-N 0 0 439.990 2.890 50 0 IFAARN O=C(c1nc2sccn2c1CN1CCCN(c2ncccn2)CC1)N1CCCCC1 ZINC000019636818 556835475 /nfs/dbraw/zinc/83/54/75/556835475.db2.gz JRNZRVUSTWLGEO-UHFFFAOYSA-N 0 0 425.562 2.524 50 0 IFAARN CC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)c1ccc(F)cc1Cl ZINC000062580532 556836143 /nfs/dbraw/zinc/83/61/43/556836143.db2.gz VKPLDMNOJGRDFA-UHFFFAOYSA-N 0 0 434.942 2.785 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(C)CC2)c(C)c1 ZINC000019639104 556836686 /nfs/dbraw/zinc/83/66/86/556836686.db2.gz DSXPMXBNBZFBAQ-UHFFFAOYSA-N 0 0 443.613 2.619 50 0 IFAARN CSCC[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2[nH]1 ZINC000334161387 556837297 /nfs/dbraw/zinc/83/72/97/556837297.db2.gz BELSOEIQAWNJJJ-LJQANCHMSA-N 0 0 425.558 2.999 50 0 IFAARN C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(Cc4cccc(F)c4)CC3)c2C(N)=O)C1 ZINC000019641476 556837490 /nfs/dbraw/zinc/83/74/90/556837490.db2.gz DHOZDCOTJRFQQV-OAHLLOKOSA-N 0 0 444.576 2.867 50 0 IFAARN O=C(C[C@H]([NH2+]CCCN1CCOCC1)C(=O)[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000022996960 556839091 /nfs/dbraw/zinc/83/90/91/556839091.db2.gz AEPVRCAWZMRVNT-NRFANRHFSA-N 0 0 427.501 2.573 50 0 IFAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cn3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000072405121 556839567 /nfs/dbraw/zinc/83/95/67/556839567.db2.gz HWRBTWOIOMFDGI-MRXNPFEDSA-N 0 0 426.498 2.874 50 0 IFAARN O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cs1 ZINC000016527323 556841397 /nfs/dbraw/zinc/84/13/97/556841397.db2.gz CUWUXXZXEAFEGW-UHFFFAOYSA-N 0 0 428.539 2.906 50 0 IFAARN C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1ccccn1 ZINC000072405777 556841749 /nfs/dbraw/zinc/84/17/49/556841749.db2.gz CNHAWJIGXYZUKA-AWEZNQCLSA-N 0 0 436.343 2.925 50 0 IFAARN O=c1ccc(-c2ccc(Br)cc2)nn1CN1CCN(c2ccccn2)CC1 ZINC000072406284 556842843 /nfs/dbraw/zinc/84/28/43/556842843.db2.gz GGWMSPRCASRIIE-UHFFFAOYSA-N 0 0 426.318 2.848 50 0 IFAARN O=C(NCC1(c2ccccc2)CCCCC1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 ZINC000067604809 556844024 /nfs/dbraw/zinc/84/40/24/556844024.db2.gz YOYDBZJSKWNDKP-OAQYLSRUSA-N 0 0 427.589 2.576 50 0 IFAARN COc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc(OC)c1 ZINC000008748556 556845399 /nfs/dbraw/zinc/84/53/99/556845399.db2.gz MDUIGKITOMQHBN-GJZGRUSLSA-N 0 0 434.514 2.754 50 0 IFAARN COCCN(CC(=O)Nc1cccc(C)c1C)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000096837089 556846963 /nfs/dbraw/zinc/84/69/63/556846963.db2.gz AYTQPZLKIDWZQG-NRFANRHFSA-N 0 0 439.512 2.531 50 0 IFAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O ZINC000008891598 556851033 /nfs/dbraw/zinc/85/10/33/556851033.db2.gz MEPKMXDYDQYIBR-QHCPKHFHSA-N 0 0 438.459 2.747 50 0 IFAARN CCNC(=O)NC(=O)COC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000008888299 556851137 /nfs/dbraw/zinc/85/11/37/556851137.db2.gz JHNYSAWBGMLYKB-UHFFFAOYSA-N 0 0 438.436 2.683 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cc(C(=O)N3CCCC3)ccn2)CC1 ZINC000033073789 556852918 /nfs/dbraw/zinc/85/29/18/556852918.db2.gz IPYQOEBXUGSETN-UHFFFAOYSA-N 0 0 436.512 2.579 50 0 IFAARN CC(C)(C)NC(=O)CN1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)[O-])CC1 ZINC000033078808 556853961 /nfs/dbraw/zinc/85/39/61/556853961.db2.gz STVFBRLALSVCOT-UHFFFAOYSA-N 0 0 444.557 2.735 50 0 IFAARN CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000033077490 556854509 /nfs/dbraw/zinc/85/45/09/556854509.db2.gz PJVHRGAHQUFHEM-UHFFFAOYSA-N 0 0 429.542 2.807 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C)c(C)c3)ccc21 ZINC000033077491 556854514 /nfs/dbraw/zinc/85/45/14/556854514.db2.gz QMHVHQRKXHVHNG-UHFFFAOYSA-N 0 0 429.542 2.862 50 0 IFAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OCC ZINC000033088092 556855949 /nfs/dbraw/zinc/85/59/49/556855949.db2.gz HNSCAPSFROLPOB-HNNXBMFYSA-N 0 0 433.472 2.890 50 0 IFAARN CCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccc(Cl)c2)c1=O ZINC000033140905 556876558 /nfs/dbraw/zinc/87/65/58/556876558.db2.gz GXAFSNILBFWZSZ-UHFFFAOYSA-N 0 0 433.921 2.532 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccc(CC)c2)c1=O ZINC000033140981 556876794 /nfs/dbraw/zinc/87/67/94/556876794.db2.gz RHTZFDHAZDPSPD-UHFFFAOYSA-N 0 0 441.557 2.831 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccc(C)cc2)c1=O ZINC000033141033 556877169 /nfs/dbraw/zinc/87/71/69/556877169.db2.gz JAECFCBAFGLOKK-UHFFFAOYSA-N 0 0 441.557 2.967 50 0 IFAARN CO[C@H](C(=O)N1CCc2c(c(C(=O)N(C)C)nn2CCC(F)(F)F)C1)c1ccccc1 ZINC000019740226 556879867 /nfs/dbraw/zinc/87/98/67/556879867.db2.gz GEIVOILRFHOOQS-SFHVURJKSA-N 0 0 438.450 2.810 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)CC1 ZINC000033171208 556882267 /nfs/dbraw/zinc/88/22/67/556882267.db2.gz XXHQBNJTZCXRTR-UHFFFAOYSA-N 0 0 427.482 2.754 50 0 IFAARN O=C(NC1CCCCCCC1)c1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 ZINC000033170033 556885268 /nfs/dbraw/zinc/88/52/68/556885268.db2.gz GKVRXMZTDIBSND-UHFFFAOYSA-N 0 0 448.545 2.600 50 0 IFAARN COc1ccc(OC)c(CNC(=O)c2ccc(-c3nc4cccnc4n(C)c3=O)cc2)c1 ZINC000033170401 556885639 /nfs/dbraw/zinc/88/56/39/556885639.db2.gz YUVKHRYUAMHEAM-UHFFFAOYSA-N 0 0 430.464 2.943 50 0 IFAARN COc1cc(CNC(=O)c2ccc(-c3nc4cccnc4n(C)c3=O)cc2)cc(OC)c1 ZINC000033170396 556885722 /nfs/dbraw/zinc/88/57/22/556885722.db2.gz BVRJBUNPWCZSBR-UHFFFAOYSA-N 0 0 430.464 2.943 50 0 IFAARN CCc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)NCCCOC ZINC000033170741 556886329 /nfs/dbraw/zinc/88/63/29/556886329.db2.gz VACWAGWMLUYYLF-UHFFFAOYSA-N 0 0 442.537 2.549 50 0 IFAARN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000033170664 556886353 /nfs/dbraw/zinc/88/63/53/556886353.db2.gz YLTNOTXOFAGWHT-GQSKFBFOSA-N 0 0 435.502 2.578 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCc3ccccc3)CC2)cc1 ZINC000033254615 556890771 /nfs/dbraw/zinc/89/07/71/556890771.db2.gz PEEHCKCQKPYRFC-UHFFFAOYSA-N 0 0 443.569 2.795 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4cccnc4n(C)c3=O)C2)cc1 ZINC000033259624 556896131 /nfs/dbraw/zinc/89/61/31/556896131.db2.gz WYYUXJFTWNQTJW-GOSISDBHSA-N 0 0 435.528 2.649 50 0 IFAARN COCCCNC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)C1 ZINC000033259713 556899013 /nfs/dbraw/zinc/89/90/13/556899013.db2.gz CMNRMIANXLPMBB-FQEVSTJZSA-N 0 0 449.555 2.517 50 0 IFAARN CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCc3ccccc3)ccc21 ZINC000033263038 556901114 /nfs/dbraw/zinc/90/11/14/556901114.db2.gz CAGBICZMTYIXBV-OAQYLSRUSA-N 0 0 441.557 2.701 50 0 IFAARN O=C(Nc1ccc(F)cc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)N3CCCCC3)C2)s1 ZINC000033263204 556901377 /nfs/dbraw/zinc/90/13/77/556901377.db2.gz FKCLRJGNLPSFIV-CQSZACIVSA-N 0 0 445.520 2.794 50 0 IFAARN CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033263175 556901402 /nfs/dbraw/zinc/90/14/02/556901402.db2.gz JBPWRUMCBZWEBG-AWEZNQCLSA-N 0 0 447.536 2.944 50 0 IFAARN Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)s2)cc1 ZINC000033263243 556901497 /nfs/dbraw/zinc/90/14/97/556901497.db2.gz XGJYLPQVWNFRHX-HNNXBMFYSA-N 0 0 427.530 2.573 50 0 IFAARN CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033263330 556901500 /nfs/dbraw/zinc/90/15/00/556901500.db2.gz MEVKXENEQUXNPC-GFCCVEGCSA-N 0 0 435.937 2.821 50 0 IFAARN Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)N4CCCCC4)C3)s2)cc1 ZINC000033263282 556901516 /nfs/dbraw/zinc/90/15/16/556901516.db2.gz RJOHKHHCSGNRHZ-MRXNPFEDSA-N 0 0 441.557 2.964 50 0 IFAARN CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000019799609 556917207 /nfs/dbraw/zinc/91/72/07/556917207.db2.gz HURWVUQWEFZGKZ-UHFFFAOYSA-N 0 0 425.942 2.523 50 0 IFAARN Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cs2)cc1 ZINC000019809705 556918637 /nfs/dbraw/zinc/91/86/37/556918637.db2.gz BRIZFWLVGJSKAH-UHFFFAOYSA-N 0 0 427.574 2.821 50 0 IFAARN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cccc(F)c2F)CC3)cc1 ZINC000019837032 556928413 /nfs/dbraw/zinc/92/84/13/556928413.db2.gz GOJOJZTXRSOSOL-UHFFFAOYSA-N 0 0 441.482 2.596 50 0 IFAARN CCOc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Cl ZINC000019858246 556931824 /nfs/dbraw/zinc/93/18/24/556931824.db2.gz AWAFRLDPGDHAMZ-UHFFFAOYSA-N 0 0 438.933 2.974 50 0 IFAARN Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCCN2CCOCC2)c1=O ZINC000019862590 556933865 /nfs/dbraw/zinc/93/38/65/556933865.db2.gz ODTCUESFAYDZRV-UHFFFAOYSA-N 0 0 432.524 2.566 50 0 IFAARN CN1CCN(C(=O)c2cnn3c2nc(-c2ccc4c(c2)OCO4)cc3C(F)(F)F)CC1 ZINC000019881370 556937386 /nfs/dbraw/zinc/93/73/86/556937386.db2.gz JKZHOWWEERFJKQ-UHFFFAOYSA-N 0 0 433.390 2.531 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000019891041 556939534 /nfs/dbraw/zinc/93/95/34/556939534.db2.gz UYYURNADXNBWIN-UHFFFAOYSA-N 0 0 433.516 2.552 50 0 IFAARN O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc(Br)o1 ZINC000019897328 556940569 /nfs/dbraw/zinc/94/05/69/556940569.db2.gz RVWKBWRSLIKFGW-UHFFFAOYSA-N 0 0 436.306 2.747 50 0 IFAARN CCn1c(SCC(=O)N2CCN(Cc3ccccc3)CC2)nnc1-c1cccc(N)c1 ZINC000019899308 556941427 /nfs/dbraw/zinc/94/14/27/556941427.db2.gz DVYJPPXJDWXUGY-UHFFFAOYSA-N 0 0 436.585 2.984 50 0 IFAARN CCc1ccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000019938166 556952172 /nfs/dbraw/zinc/95/21/72/556952172.db2.gz XEDOLGTTYVSGPT-JXMROGBWSA-N 0 0 441.597 2.873 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1 ZINC000019938277 556952247 /nfs/dbraw/zinc/95/22/47/556952247.db2.gz PQOJUKNNPRWDEH-UHFFFAOYSA-N 0 0 431.558 2.556 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCc3csc(-c4ccccn4)n3)ccc21 ZINC000019942419 556953508 /nfs/dbraw/zinc/95/35/08/556953508.db2.gz OSDZCKJLCGSQHF-UHFFFAOYSA-N 0 0 428.539 2.635 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cncc(Nc3ncccn3)n2)cc1C ZINC000072376360 556954528 /nfs/dbraw/zinc/95/45/28/556954528.db2.gz VQLMBWPVUSVYKY-KRWDZBQOSA-N 0 0 426.502 2.853 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)cc1OC ZINC000072434188 556972453 /nfs/dbraw/zinc/97/24/53/556972453.db2.gz WUHLBCJNJPWXOS-UHFFFAOYSA-N 0 0 434.500 2.903 50 0 IFAARN COCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020051699 556974763 /nfs/dbraw/zinc/97/47/63/556974763.db2.gz UUDNPGQDWSQFFJ-UHFFFAOYSA-N 0 0 429.546 2.986 50 0 IFAARN Cc1ccc(Cn2c(=O)c3nn(C)cc3nc2SCC(=O)N2CCC(C)CC2)cc1 ZINC000033265315 556975744 /nfs/dbraw/zinc/97/57/44/556975744.db2.gz DBORBDYPYNURLO-UHFFFAOYSA-N 0 0 425.558 2.837 50 0 IFAARN COc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)n2)cc1OC ZINC000097001955 556978697 /nfs/dbraw/zinc/97/86/97/556978697.db2.gz WIWRGCMYNZUBNB-OAHLLOKOSA-N 0 0 447.517 2.662 50 0 IFAARN COc1cc([C@@H]2c3c(C)[nH]nc3N=C3COC(=O)C32)cc(Br)c1OC(C)=O ZINC000020086583 556979256 /nfs/dbraw/zinc/97/92/56/556979256.db2.gz DZIKZPDICAHMPI-CQSZACIVSA-N 0 0 434.246 2.783 50 0 IFAARN COc1ccccc1C(=O)N/C(=C\c1cn(C)c2ccccc12)C(=O)N1CCN(C)CC1 ZINC000020100507 556979956 /nfs/dbraw/zinc/97/99/56/556979956.db2.gz UKCABXYPTXYYFJ-PGMHBOJBSA-N 0 0 432.524 2.732 50 0 IFAARN Cc1nc2ccccc2n1Cc1nnc2sc(CN3C(=O)c4ccccc4C3=O)nn12 ZINC000020102467 556980767 /nfs/dbraw/zinc/98/07/67/556980767.db2.gz MWYOZHSWGAMSKK-UHFFFAOYSA-N 0 0 429.465 2.688 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000033267467 556981846 /nfs/dbraw/zinc/98/18/46/556981846.db2.gz OPWLMDRJZUEZQQ-HNNXBMFYSA-N 0 0 433.468 2.734 50 0 IFAARN CCC(=O)c1ccc(OC[C@H](O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 ZINC000023043243 556986404 /nfs/dbraw/zinc/98/64/04/556986404.db2.gz BUAHSZUAQUYPEJ-GOSISDBHSA-N 0 0 436.443 2.754 50 0 IFAARN CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000097105715 556987927 /nfs/dbraw/zinc/98/79/27/556987927.db2.gz QWRJIOZQEHMEHW-KRWDZBQOSA-N 0 0 445.925 2.961 50 0 IFAARN CCOc1ccc(OCCNC(=O)COC(=O)[C@@H]2CCCCN2Cc2cccnc2)cc1 ZINC000097164523 556994428 /nfs/dbraw/zinc/99/44/28/556994428.db2.gz YPMFFUYCHVGRIH-QFIPXVFZSA-N 0 0 441.528 2.573 50 0 IFAARN CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCC[C@H](C)C4)CC3)c2c1 ZINC000020177471 556995692 /nfs/dbraw/zinc/99/56/92/556995692.db2.gz XXDYAWKGAGMQHO-SFHVURJKSA-N 0 0 427.545 2.568 50 0 IFAARN CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCCC[C@H]4C)CC3)c2c1 ZINC000020177480 556995771 /nfs/dbraw/zinc/99/57/71/556995771.db2.gz SMWGUPOTXSQWEL-GOSISDBHSA-N 0 0 427.545 2.710 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2cnn(-c3ccccc3)c2)C1=O ZINC000010677398 556996793 /nfs/dbraw/zinc/99/67/93/556996793.db2.gz MVPZIDJVEHZZEC-XMMPIXPASA-N 0 0 431.496 2.688 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21 ZINC000020213441 556998923 /nfs/dbraw/zinc/99/89/23/556998923.db2.gz DDADMHMUIPFLRI-UHFFFAOYSA-N 0 0 433.508 2.983 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc32)cc(C(=O)OC)c1 ZINC000011247320 557000505 /nfs/dbraw/zinc/00/05/05/557000505.db2.gz SCWLPRHOWGDRSL-IBGZPJMESA-N 0 0 434.452 2.811 50 0 IFAARN O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023105435 557000865 /nfs/dbraw/zinc/00/08/65/557000865.db2.gz DHFXFXUFJFTFMA-UHFFFAOYSA-N 0 0 435.402 2.717 50 0 IFAARN COc1ccc(OC)c(CCNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c1 ZINC000020228873 557001337 /nfs/dbraw/zinc/00/13/37/557001337.db2.gz GCHNETWQRQHFQT-UHFFFAOYSA-N 0 0 440.452 2.963 50 0 IFAARN Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc2n1 ZINC000023107328 557001804 /nfs/dbraw/zinc/00/18/04/557001804.db2.gz GGGTXRGOFAMMGE-QFIPXVFZSA-N 0 0 436.487 2.811 50 0 IFAARN COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2SC)N2CCOCC2)cc1 ZINC000023107457 557002088 /nfs/dbraw/zinc/00/20/88/557002088.db2.gz SPODYUBPVVPYPT-IBGZPJMESA-N 0 0 429.542 2.545 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 ZINC000020354177 557009678 /nfs/dbraw/zinc/00/96/78/557009678.db2.gz RQDXLWJUUMFQKK-LJQANCHMSA-N 0 0 448.523 2.875 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)Cc2cc(-c3cc4ccccc4o3)on2)cc1 ZINC000023127307 557011896 /nfs/dbraw/zinc/01/18/96/557011896.db2.gz XHPCYSRRJNNRGY-UHFFFAOYSA-N 0 0 425.466 2.637 50 0 IFAARN O=C(NCCN1CCOCC1)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 ZINC000023128116 557012157 /nfs/dbraw/zinc/01/21/57/557012157.db2.gz XGADVZDRRKSMBK-UHFFFAOYSA-N 0 0 442.466 2.792 50 0 IFAARN CCc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4cc(F)cc(F)c4)c3=O)n2)cc1 ZINC000045971180 557013922 /nfs/dbraw/zinc/01/39/22/557013922.db2.gz HRQGDKURTJGPRV-UHFFFAOYSA-N 0 0 449.421 2.975 50 0 IFAARN COc1ccc(-n2nnc3c2ncn(Cc2nc(-c4ccc(C)c(C)c4)no2)c3=O)cc1 ZINC000045971125 557013929 /nfs/dbraw/zinc/01/39/29/557013929.db2.gz AKLNECBMTVDQBE-UHFFFAOYSA-N 0 0 429.440 2.701 50 0 IFAARN Cc1cccc(OCC(=O)NCCNC(=O)c2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000020417956 557014764 /nfs/dbraw/zinc/01/47/64/557014764.db2.gz YMDRFJUUERARBM-UHFFFAOYSA-N 0 0 428.876 2.932 50 0 IFAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)NC3CCCCC3)c2n1 ZINC000045994779 557014888 /nfs/dbraw/zinc/01/48/88/557014888.db2.gz PBMQHDSTYXOBBW-UHFFFAOYSA-N 0 0 439.537 2.987 50 0 IFAARN Cc1coc2c1cc1c(C)c(CCC(=O)N3CCN(S(C)(=O)=O)CC3)c(=O)oc1c2C ZINC000020427617 557015795 /nfs/dbraw/zinc/01/57/95/557015795.db2.gz VVARLWNVZGHHJI-UHFFFAOYSA-N 0 0 446.525 2.501 50 0 IFAARN C[C@@H](CO)Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020437934 557016934 /nfs/dbraw/zinc/01/69/34/557016934.db2.gz IYPVZFJEAKGERD-LBPRGKRZSA-N 0 0 429.546 2.720 50 0 IFAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000023134201 557017132 /nfs/dbraw/zinc/01/71/32/557017132.db2.gz IRWBKNCNIGGCFR-UHFFFAOYSA-N 0 0 440.935 2.818 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)Cc2cc(=O)[nH]c(SCc3ccc(F)cc3)n2)CC1 ZINC000023138067 557018131 /nfs/dbraw/zinc/01/81/31/557018131.db2.gz BZVBXDDWPDSSRJ-UHFFFAOYSA-N 0 0 448.520 2.893 50 0 IFAARN CC[C@@H](C)C(=O)C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000023129647 557018229 /nfs/dbraw/zinc/01/82/29/557018229.db2.gz CYHWKDZTWLHOEJ-NQIIRXRSSA-N 0 0 443.563 2.714 50 0 IFAARN COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)c1c(C)cc(C)cc1C)CC2 ZINC000010705576 557019162 /nfs/dbraw/zinc/01/91/62/557019162.db2.gz FTQAGUZPGSWAQW-UHFFFAOYSA-N 0 0 446.569 2.747 50 0 IFAARN COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)CCCc1ccccc1)CC2 ZINC000010705498 557020375 /nfs/dbraw/zinc/02/03/75/557020375.db2.gz CICLSZNLQBAELR-UHFFFAOYSA-N 0 0 446.569 2.531 50 0 IFAARN CC(=O)N1CCSc2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc21 ZINC000032943742 557020921 /nfs/dbraw/zinc/02/09/21/557020921.db2.gz ZCAWHJVFISLIOE-UHFFFAOYSA-N 0 0 435.546 2.795 50 0 IFAARN COc1ccc(CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cc1F ZINC000072022847 557021712 /nfs/dbraw/zinc/02/17/12/557021712.db2.gz UXZRFYBOUWRARM-UHFFFAOYSA-N 0 0 430.295 2.828 50 0 IFAARN CCOc1ccc(CC(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)cc1 ZINC000023139251 557023898 /nfs/dbraw/zinc/02/38/98/557023898.db2.gz IHHXRZGHOLJPGW-KRWDZBQOSA-N 0 0 444.557 2.505 50 0 IFAARN C[C@@H]1Cc2ccccc2N1CCNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000072045466 557024357 /nfs/dbraw/zinc/02/43/57/557024357.db2.gz BMHPFMDTJIJYEX-CQSZACIVSA-N 0 0 444.329 2.742 50 0 IFAARN CC[C@@H](C(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1)c1ccccc1 ZINC000023141836 557024380 /nfs/dbraw/zinc/02/43/80/557024380.db2.gz ZNLNZQOKGPDFEY-QGZVFWFLSA-N 0 0 447.630 2.997 50 0 IFAARN COc1cccc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)o2)c1 ZINC000010756671 557024528 /nfs/dbraw/zinc/02/45/28/557024528.db2.gz IHBBSRIWNFIVAH-AWEZNQCLSA-N 0 0 448.526 2.846 50 0 IFAARN CN1C(=O)c2ccc(C(=O)OCc3nc4ccccc4c(=O)n3Cc3ccco3)cc2C1=O ZINC000010755842 557024587 /nfs/dbraw/zinc/02/45/87/557024587.db2.gz YFRGDBSAQODFNZ-UHFFFAOYSA-N 0 0 443.415 2.621 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(S[C@H](C)C(N)=O)n(Cc1ccccc1Cl)c2=O ZINC000010783861 557027156 /nfs/dbraw/zinc/02/71/56/557027156.db2.gz HGJBEGHKHONWME-LLVKDONJSA-N 0 0 431.901 2.851 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C)c(C)c3)c(C)cc2NC1=O ZINC000046056177 557027457 /nfs/dbraw/zinc/02/74/57/557027457.db2.gz GHISGBSZLDRMGE-SFHVURJKSA-N 0 0 445.541 2.981 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@H](C)n2c3ccccc3nc(C(F)(F)F)c2=O)CC1 ZINC000032944777 557027618 /nfs/dbraw/zinc/02/76/18/557027618.db2.gz QJGYDOJFRKUMLV-LBPRGKRZSA-N 0 0 425.407 2.778 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)N(CC)c3ccccc3)c(C)cc2NC1=O ZINC000046056138 557028123 /nfs/dbraw/zinc/02/81/23/557028123.db2.gz WNEIYOCUEFWZRI-GOSISDBHSA-N 0 0 445.541 2.778 50 0 IFAARN Cc1ccc([C@H](C)NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1C ZINC000032946551 557032603 /nfs/dbraw/zinc/03/26/03/557032603.db2.gz VXRDFBADUVXBIX-AWEZNQCLSA-N 0 0 432.571 2.807 50 0 IFAARN COc1ccccc1-n1c(=O)n(CC(=O)NC2CCCCC2)c(=O)c2c(C)cc(C)nc21 ZINC000046077228 557033052 /nfs/dbraw/zinc/03/30/52/557033052.db2.gz SPXHQFHEWDCTQS-UHFFFAOYSA-N 0 0 436.512 2.622 50 0 IFAARN O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1F ZINC000010833796 557033071 /nfs/dbraw/zinc/03/30/71/557033071.db2.gz FYLWINFIJYQKPM-ZDUSSCGKSA-N 0 0 445.310 2.809 50 0 IFAARN CC1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009692439 557033248 /nfs/dbraw/zinc/03/32/48/557033248.db2.gz RJBRBBVUDQQERI-SFHVURJKSA-N 0 0 444.582 2.839 50 0 IFAARN CC(C)(CN1CCN(C(=O)c2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000012381808 557036047 /nfs/dbraw/zinc/03/60/47/557036047.db2.gz ZVSVCYZFVPZLOK-UHFFFAOYSA-N 0 0 435.977 2.855 50 0 IFAARN COc1ccc(/C=C/C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000046145026 557043138 /nfs/dbraw/zinc/04/31/38/557043138.db2.gz RBPIVMAVFHGNSZ-YRNVUSSQSA-N 0 0 444.553 2.995 50 0 IFAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(F)cc4C)cc32)no1 ZINC000046145564 557044018 /nfs/dbraw/zinc/04/40/18/557044018.db2.gz UVSRUPHOOCKJIO-UHFFFAOYSA-N 0 0 432.433 2.552 50 0 IFAARN Cc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)c2ccco2)n(C)c(=O)n3C)cc1 ZINC000046145967 557044257 /nfs/dbraw/zinc/04/42/57/557044257.db2.gz KMJJUWFUVWMWFS-UHFFFAOYSA-N 0 0 425.466 2.864 50 0 IFAARN C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000023183788 557044586 /nfs/dbraw/zinc/04/45/86/557044586.db2.gz GDCFYBWCLNAYOD-CJNGLKHVSA-N 0 0 433.302 2.866 50 0 IFAARN COc1ccccc1NC(=O)C1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000048234726 557046586 /nfs/dbraw/zinc/04/65/86/557046586.db2.gz GLGZMKOANBUOOG-IBGZPJMESA-N 0 0 442.560 2.800 50 0 IFAARN Cc1cc(=O)c(C(=O)OCCN2C(=O)c3ccccc3C2=O)nn1-c1ccccc1Cl ZINC000017264095 557047844 /nfs/dbraw/zinc/04/78/44/557047844.db2.gz FWJXSQQBSUGONY-UHFFFAOYSA-N 0 0 437.839 2.647 50 0 IFAARN CCCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1 ZINC000017269588 557048635 /nfs/dbraw/zinc/04/86/35/557048635.db2.gz MYKQPWOKDJDOHD-UHFFFAOYSA-N 0 0 440.525 2.627 50 0 IFAARN CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nnc(C)n2n1 ZINC000033271357 557049249 /nfs/dbraw/zinc/04/92/49/557049249.db2.gz OWIWPRJEOIGUMP-OAHLLOKOSA-N 0 0 433.472 2.808 50 0 IFAARN CCOc1ccc(CN2CCN(CN3C(=O)NC4(C3=O)[C@@H](C)CCC[C@@H]4C)CC2)cc1 ZINC000022929827 557049407 /nfs/dbraw/zinc/04/94/07/557049407.db2.gz AYWFUCMFKXESGH-OALUTQOASA-N 0 0 428.577 2.907 50 0 IFAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)C1 ZINC000048262952 557050131 /nfs/dbraw/zinc/05/01/31/557050131.db2.gz GLXRWXJCENMNNO-MRXNPFEDSA-N 0 0 440.541 2.890 50 0 IFAARN Cc1c(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c(=O)n(-c2ccccc2)n1C ZINC000017303448 557051521 /nfs/dbraw/zinc/05/15/21/557051521.db2.gz XAQAWJHFOXXRNQ-UHFFFAOYSA-N 0 0 433.443 2.730 50 0 IFAARN C[C@@H](C(=O)N1CCCCC1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000022934016 557051656 /nfs/dbraw/zinc/05/16/56/557051656.db2.gz DKYKRGNRCLUNAJ-INIZCTEOSA-N 0 0 426.483 2.663 50 0 IFAARN Cc1ccc(NC(=O)N(C)CCc2noc(C(=O)NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000033273439 557051841 /nfs/dbraw/zinc/05/18/41/557051841.db2.gz WHXMULWWKZCNLU-UHFFFAOYSA-N 0 0 437.456 2.743 50 0 IFAARN O=C(NCCNc1ncccc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000048252957 557052174 /nfs/dbraw/zinc/05/21/74/557052174.db2.gz CBRWNIVGKYKCML-UHFFFAOYSA-N 0 0 446.451 2.710 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2Cc2ccccc2)C[C@@H](C)O1 ZINC000048254014 557052871 /nfs/dbraw/zinc/05/28/71/557052871.db2.gz NGODZMZVKPYIJB-QZTJIDSGSA-N 0 0 431.558 2.838 50 0 IFAARN CC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000048289264 557054421 /nfs/dbraw/zinc/05/44/21/557054421.db2.gz WYDQJCORFQBFMH-UHFFFAOYSA-N 0 0 434.942 2.785 50 0 IFAARN COc1cccc(C[C@@]2(CO)CCCN(C(=O)C3(N4CCOCC4)CCCCC3)C2)c1 ZINC000082039308 557055965 /nfs/dbraw/zinc/05/59/65/557055965.db2.gz ZAAQKBORARPMKS-DEOSSOPVSA-N 0 0 430.589 2.874 50 0 IFAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(-n3cccn3)nc2)C1=O ZINC000022989778 557056018 /nfs/dbraw/zinc/05/60/18/557056018.db2.gz ZLDUARCCCKLISV-DEOSSOPVSA-N 0 0 440.463 2.826 50 0 IFAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(-n3cccn3)nc2)C1=O ZINC000022989779 557056057 /nfs/dbraw/zinc/05/60/57/557056057.db2.gz ZLDUARCCCKLISV-XMMPIXPASA-N 0 0 440.463 2.826 50 0 IFAARN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)C(=O)C2 ZINC000023001960 557056672 /nfs/dbraw/zinc/05/66/72/557056672.db2.gz BYVPYJYHCMIHMK-LIRRHRJNSA-N 0 0 445.507 2.948 50 0 IFAARN COc1cc(C(=O)Nc2ccc3[nH]c(CN4CCOCC4)nc3c2)cc(OC)c1OC ZINC000048277839 557056729 /nfs/dbraw/zinc/05/67/29/557056729.db2.gz IKMYXZPWGCDWGD-UHFFFAOYSA-N 0 0 426.473 2.673 50 0 IFAARN COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)NC1CCCCC1 ZINC000033276587 557057236 /nfs/dbraw/zinc/05/72/36/557057236.db2.gz GQGCCACHZYEWIK-UHFFFAOYSA-N 0 0 446.529 2.851 50 0 IFAARN CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)N[C@@H](C)CC)c1)NC(=O)CCC2=O ZINC000033276710 557057468 /nfs/dbraw/zinc/05/74/68/557057468.db2.gz BCCKOLQWEMERTK-LBPRGKRZSA-N 0 0 434.518 2.570 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c(CC)c(C)nc2-n2nc(C)cc2C)cc1 ZINC000017316987 557057528 /nfs/dbraw/zinc/05/75/28/557057528.db2.gz OZPHVTNLTMKRJZ-UHFFFAOYSA-N 0 0 437.500 2.732 50 0 IFAARN CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2ccc(OC)c(OC)c2)c1=O ZINC000017316977 557057544 /nfs/dbraw/zinc/05/75/44/557057544.db2.gz MZYSZLYMGUCLJF-UHFFFAOYSA-N 0 0 425.489 2.573 50 0 IFAARN Cc1oc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1S(=O)(=O)N1CCCC1 ZINC000048285843 557058055 /nfs/dbraw/zinc/05/80/55/557058055.db2.gz TYQIPCVYQZZHQP-ZDUSSCGKSA-N 0 0 431.514 2.748 50 0 IFAARN CN(CCc1noc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)C(=O)NC1CCCCC1 ZINC000033278045 557058947 /nfs/dbraw/zinc/05/89/47/557058947.db2.gz BIERIXHPEBUQPL-UHFFFAOYSA-N 0 0 441.532 2.726 50 0 IFAARN O=C(Nc1cccc(-c2nnco2)c1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000023075384 557061770 /nfs/dbraw/zinc/06/17/70/557061770.db2.gz WCKMJSDNGQYAJC-OAHLLOKOSA-N 0 0 437.481 2.536 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)c(OC)c1 ZINC000082230687 557061823 /nfs/dbraw/zinc/06/18/23/557061823.db2.gz WNDMYFBWCUTGLN-UHFFFAOYSA-N 0 0 437.504 2.650 50 0 IFAARN CC1CCN(S(=O)(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)CC1 ZINC000048300043 557061998 /nfs/dbraw/zinc/06/19/98/557061998.db2.gz JNDOXJNFUSPGAW-UHFFFAOYSA-N 0 0 447.580 2.614 50 0 IFAARN CCCn1c(=O)c2cc(Br)ccc2nc1S[C@@H](C)C(=O)N1CCOCC1 ZINC000023077704 557062108 /nfs/dbraw/zinc/06/21/08/557062108.db2.gz RJTDVZNPDSEXTN-LBPRGKRZSA-N 0 0 440.363 2.908 50 0 IFAARN CC(=O)Nc1cccc(Nc2nnc(SCC(=O)NC(=O)c3cccn3C)s2)c1 ZINC000023079346 557062427 /nfs/dbraw/zinc/06/24/27/557062427.db2.gz YZWLLDSABHEWRY-UHFFFAOYSA-N 0 0 430.515 2.627 50 0 IFAARN C[C@H](C(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1)n1cccn1 ZINC000048301311 557062611 /nfs/dbraw/zinc/06/26/11/557062611.db2.gz DYLDDMOORDLZDR-QZTJIDSGSA-N 0 0 438.532 2.949 50 0 IFAARN C[C@H](C(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1)n1cccn1 ZINC000048301314 557063096 /nfs/dbraw/zinc/06/30/96/557063096.db2.gz DYLDDMOORDLZDR-MSOLQXFVSA-N 0 0 438.532 2.949 50 0 IFAARN C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000023103063 557063322 /nfs/dbraw/zinc/06/33/22/557063322.db2.gz FZEXJRCRVFPYEP-OAHLLOKOSA-N 0 0 429.542 2.618 50 0 IFAARN CC(C)(C)n1ncc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1=O ZINC000048302636 557063987 /nfs/dbraw/zinc/06/39/87/557063987.db2.gz NAQFVJTUPABKCH-UHFFFAOYSA-N 0 0 445.372 2.816 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CCn2cnc3c4cc(C)ccc4[nH]c3c2=O)CC1 ZINC000023125620 557065232 /nfs/dbraw/zinc/06/52/32/557065232.db2.gz ZMBJZVKKZGCPBW-UHFFFAOYSA-N 0 0 445.523 2.934 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccc(C)cc2C)CC3)n1C ZINC000033287890 557065318 /nfs/dbraw/zinc/06/53/18/557065318.db2.gz VUJTUBTVBXADDF-UHFFFAOYSA-N 0 0 446.602 2.691 50 0 IFAARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)C1 ZINC000048325974 557066631 /nfs/dbraw/zinc/06/66/31/557066631.db2.gz FFHKRTGRTBNYDN-INIZCTEOSA-N 0 0 432.498 2.604 50 0 IFAARN COc1cccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4nc(C)no4)c(=O)c32)c1 ZINC000033280927 557066844 /nfs/dbraw/zinc/06/68/44/557066844.db2.gz CSPFFVFGPJEIHO-UHFFFAOYSA-N 0 0 444.451 2.738 50 0 IFAARN Cc1nc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cs1 ZINC000033282287 557067866 /nfs/dbraw/zinc/06/78/66/557067866.db2.gz WSJDYFZPGHIJNH-MRXNPFEDSA-N 0 0 431.942 2.756 50 0 IFAARN O=C(NCc1coc(-c2cccs2)n1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000010883551 557068002 /nfs/dbraw/zinc/06/80/02/557068002.db2.gz ULFWCBZXECFNHU-INIZCTEOSA-N 0 0 447.538 2.790 50 0 IFAARN C[C@@H]1Cc2cc(C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)ccc2N1S(C)(=O)=O ZINC000023151355 557069201 /nfs/dbraw/zinc/06/92/01/557069201.db2.gz NTFHNBOUTLDQLW-VLIAUNLRSA-N 0 0 443.525 2.767 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)ccc1Cl ZINC000048342734 557071290 /nfs/dbraw/zinc/07/12/90/557071290.db2.gz YWOHBFNUJQXTNV-UHFFFAOYSA-N 0 0 425.820 2.760 50 0 IFAARN Cc1oc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000048344214 557071753 /nfs/dbraw/zinc/07/17/53/557071753.db2.gz UOGFYPQGRCWNOP-UHFFFAOYSA-N 0 0 428.514 2.830 50 0 IFAARN CSc1ncc(C(=O)NCc2ccc(N3CCOCC3)nc2)n1-c1ccc(F)cc1 ZINC000023199991 557072902 /nfs/dbraw/zinc/07/29/02/557072902.db2.gz OHGXHWLQSSHYIF-UHFFFAOYSA-N 0 0 427.505 2.895 50 0 IFAARN COc1cccc(CNC(=O)CSc2ccc(S(=O)(=O)c3cccc(F)c3)nn2)c1 ZINC000033298346 557074245 /nfs/dbraw/zinc/07/42/45/557074245.db2.gz MFHGLMLJZRJSSO-UHFFFAOYSA-N 0 0 447.513 2.866 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)c2ccccc2)nn1)Nc1ccc2c(c1)OCCO2 ZINC000033298296 557074306 /nfs/dbraw/zinc/07/43/06/557074306.db2.gz JVNDNSHQDLYTHR-UHFFFAOYSA-N 0 0 443.506 2.811 50 0 IFAARN CCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2s1 ZINC000033298901 557075053 /nfs/dbraw/zinc/07/50/53/557075053.db2.gz PMWCJTRFFUOFFJ-UHFFFAOYSA-N 0 0 442.540 2.908 50 0 IFAARN CCN(c1cccc(C)c1)S(=O)(=O)c1c[nH]c(-c2nnc(C(=O)N3CCCC3)o2)c1 ZINC000085808758 557076606 /nfs/dbraw/zinc/07/66/06/557076606.db2.gz RLGQMBRHEZBGCQ-UHFFFAOYSA-N 0 0 429.502 2.824 50 0 IFAARN O=c1cc(CN2CCN(Cc3cc(Cl)c4c(c3)OCCCO4)CC2)nc2sccn21 ZINC000023249130 557078403 /nfs/dbraw/zinc/07/84/03/557078403.db2.gz DWEPDMCRDWETJJ-UHFFFAOYSA-N 0 0 446.960 2.889 50 0 IFAARN O=S(=O)(CCSc1nnnn1-c1ccccc1)c1ccc(Br)cc1 ZINC000011297167 557081278 /nfs/dbraw/zinc/08/12/78/557081278.db2.gz JJJYGNVNBHEENS-UHFFFAOYSA-N 0 0 425.333 2.991 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2F)c(=O)c2c1csc2NC(=O)c1cnccn1 ZINC000048984961 557082013 /nfs/dbraw/zinc/08/20/13/557082013.db2.gz OXOAUSLUGGCXRF-UHFFFAOYSA-N 0 0 439.428 2.805 50 0 IFAARN COc1ccc(Cc2nnc(SCc3nc(=O)c4c(C)c(C)sc4[nH]3)n2N)cc1 ZINC000023294109 557082828 /nfs/dbraw/zinc/08/28/28/557082828.db2.gz UQZBODZPPPOVBY-UHFFFAOYSA-N 0 0 428.543 2.798 50 0 IFAARN CC(=O)c1cccc(NC(=O)CSc2nnc3c4sc(N(C)C)nc4ncn23)c1 ZINC000033300860 557082954 /nfs/dbraw/zinc/08/29/54/557082954.db2.gz JVCAJDPIMSYGRA-UHFFFAOYSA-N 0 0 427.515 2.733 50 0 IFAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2c1=O ZINC000048988099 557083026 /nfs/dbraw/zinc/08/30/26/557083026.db2.gz CXRIPDIFTWEFHX-UHFFFAOYSA-N 0 0 446.463 2.879 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2nc(N3CCN(c4ccccc4)CC3)cnc2c1 ZINC000033301619 557083378 /nfs/dbraw/zinc/08/33/78/557083378.db2.gz FLGPXEWHKSPVLA-UHFFFAOYSA-N 0 0 425.558 2.987 50 0 IFAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000023317368 557083780 /nfs/dbraw/zinc/08/37/80/557083780.db2.gz IXRFYKALBRLOGD-IBGZPJMESA-N 0 0 449.555 2.529 50 0 IFAARN O=C(Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O)NC1CCCC1 ZINC000049006648 557085379 /nfs/dbraw/zinc/08/53/79/557085379.db2.gz MGPPFCOQDPUJDE-UHFFFAOYSA-N 0 0 438.875 2.925 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)cc1OC ZINC000049008774 557086804 /nfs/dbraw/zinc/08/68/04/557086804.db2.gz HRJXECIUCUUCEC-UHFFFAOYSA-N 0 0 437.481 2.698 50 0 IFAARN Cn1c2nc(CN3CCc4ccccc4C3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000017440283 557088515 /nfs/dbraw/zinc/08/85/15/557088515.db2.gz JKOXWGHGRCREBM-UHFFFAOYSA-N 0 0 449.942 2.694 50 0 IFAARN O=C(CNC(=O)c1ccccc1)NCCSc1ccc(C(=O)Nc2ccccc2)cn1 ZINC000033308498 557089133 /nfs/dbraw/zinc/08/91/33/557089133.db2.gz KTQRCFKOIFDGFF-UHFFFAOYSA-N 0 0 434.521 2.972 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1cc(C(=O)N2CCCC2)c(=O)c2ccc(C)nc21 ZINC000049002228 557089846 /nfs/dbraw/zinc/08/98/46/557089846.db2.gz HFFDWMMWLNTRMP-UHFFFAOYSA-N 0 0 434.496 2.978 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)Cn1nc2c3sc(N4CCCC4)nc3ncn2c1=O ZINC000033309051 557090143 /nfs/dbraw/zinc/09/01/43/557090143.db2.gz ZJYRBYBOUFJXQO-UHFFFAOYSA-N 0 0 443.920 2.701 50 0 IFAARN O=C(Cn1nc2c3sc(N4CCCCC4)nc3ncn2c1=O)Nc1ccc(Cl)cc1 ZINC000033309276 557092588 /nfs/dbraw/zinc/09/25/88/557092588.db2.gz NSBWCYQWBDVWPM-UHFFFAOYSA-N 0 0 443.920 2.783 50 0 IFAARN CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CC1 ZINC000023458343 557092800 /nfs/dbraw/zinc/09/28/00/557092800.db2.gz AVXCQNWAFNFVDH-UHFFFAOYSA-N 0 0 446.573 2.806 50 0 IFAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)cc1Cl ZINC000113026416 557092813 /nfs/dbraw/zinc/09/28/13/557092813.db2.gz DOEVCIHTTTYVCC-SFHVURJKSA-N 0 0 440.887 2.731 50 0 in-vitro IFAARN COC(=O)c1ccc(NC(=O)Cn2nc3c(Sc4ccc(C)cc4)nccn3c2=O)cc1 ZINC000033309370 557092966 /nfs/dbraw/zinc/09/29/66/557092966.db2.gz GJJHLTNQCQJPFZ-UHFFFAOYSA-N 0 0 449.492 2.776 50 0 IFAARN COCCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)CC1 ZINC000033310177 557093299 /nfs/dbraw/zinc/09/32/99/557093299.db2.gz AVRAKWSHKBHDTO-UHFFFAOYSA-N 0 0 431.537 2.757 50 0 IFAARN Cc1nc(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)sc1C(=O)N(C)C ZINC000023477229 557093899 /nfs/dbraw/zinc/09/38/99/557093899.db2.gz MHUKQLASUKXCEB-UHFFFAOYSA-N 0 0 435.981 2.563 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@H]2COc2ccc(C(=O)N3CCOCC3)cc2)cc1F ZINC000033310620 557094559 /nfs/dbraw/zinc/09/45/59/557094559.db2.gz UXRDGLBVJNPEOD-IBGZPJMESA-N 0 0 442.487 2.990 50 0 IFAARN O=C(Cc1cccs1)NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000049406239 557095304 /nfs/dbraw/zinc/09/53/04/557095304.db2.gz JOBNZDAHZDKUSC-UHFFFAOYSA-N 0 0 429.933 2.946 50 0 IFAARN CCNC(=O)C1CCN(c2cc(SCC(=O)Nc3ccc(OC)cc3)ncn2)CC1 ZINC000033312112 557095790 /nfs/dbraw/zinc/09/57/90/557095790.db2.gz SKSDVOPYGCOPGR-UHFFFAOYSA-N 0 0 429.546 2.569 50 0 IFAARN CCn1cc(C(=O)NCc2ccc(C(C)C)cc2)c(S(=O)(=O)N2CCSCC2)n1 ZINC000049400413 557095774 /nfs/dbraw/zinc/09/57/74/557095774.db2.gz ITMJRWVZQXOQIS-UHFFFAOYSA-N 0 0 436.603 2.694 50 0 IFAARN CCNC(=O)C1CCN(c2cc(SCC(=O)NCc3ccc(C)cc3)ncn2)CC1 ZINC000033312131 557096220 /nfs/dbraw/zinc/09/62/20/557096220.db2.gz IRNFAWSFKRPAEJ-UHFFFAOYSA-N 0 0 427.574 2.546 50 0 IFAARN CCOc1ccc(NC(=O)CN(C)C(=O)CCn2c3ccccc3oc2=O)cc1OCC ZINC000023533352 557096266 /nfs/dbraw/zinc/09/62/66/557096266.db2.gz IXBGSKBZZXVFRB-UHFFFAOYSA-N 0 0 441.484 2.879 50 0 IFAARN COc1cc(OC)c(NC(=O)[C@H]2CCCN2c2nn3c(nc(C)cc3=O)s2)cc1Cl ZINC000033315285 557097196 /nfs/dbraw/zinc/09/71/96/557097196.db2.gz JQGANJGTINBLBF-CYBMUJFWSA-N 0 0 449.920 2.738 50 0 IFAARN CCNC(=O)C1CCN(c2cc(SCC(=O)Nc3ccccc3OCC)ncn2)CC1 ZINC000049402050 557097674 /nfs/dbraw/zinc/09/76/74/557097674.db2.gz ROROJQFLTXCBLL-UHFFFAOYSA-N 0 0 443.573 2.959 50 0 IFAARN CCOC(=O)c1cn(Cc2c(F)cccc2Cl)nc1S(=O)(=O)N1CCSCC1 ZINC000049402274 557097688 /nfs/dbraw/zinc/09/76/88/557097688.db2.gz DIYAKPWJCSIJHZ-UHFFFAOYSA-N 0 0 447.941 2.638 50 0 IFAARN CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl ZINC000017532220 557100182 /nfs/dbraw/zinc/10/01/82/557100182.db2.gz VSWLXCJCOSQEAA-AWEZNQCLSA-N 0 0 438.933 2.842 50 0 IFAARN CCn1c(SCC(=O)Nc2cccnc2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000072191592 557100448 /nfs/dbraw/zinc/10/04/48/557100448.db2.gz QIPHIBAWXRPJIK-AWEZNQCLSA-N 0 0 440.529 2.923 50 0 IFAARN CCCCCN(CC(=O)N1CCc2sccc2C1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000011339526 557100566 /nfs/dbraw/zinc/10/05/66/557100566.db2.gz OPIFQUNFJSTHMY-UHFFFAOYSA-N 0 0 447.605 2.562 50 0 IFAARN CC(=O)c1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)c1 ZINC000049406061 557101260 /nfs/dbraw/zinc/10/12/60/557101260.db2.gz NTNSIPKZEKXADO-UHFFFAOYSA-N 0 0 435.459 2.644 50 0 IFAARN COc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3ccc(C)c(C)c3)nn2)CC1 ZINC000049406356 557101519 /nfs/dbraw/zinc/10/15/19/557101519.db2.gz KKQKUFCZKYQJEI-UHFFFAOYSA-N 0 0 433.512 2.927 50 0 IFAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(N(C)C)c4)CC3)nn2)cc1C ZINC000049406342 557101543 /nfs/dbraw/zinc/10/15/43/557101543.db2.gz SFDGEPXEFGGWHW-UHFFFAOYSA-N 0 0 446.555 2.985 50 0 IFAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(N(C)C)cc4)CC3)nn2)cc1C ZINC000049406346 557101616 /nfs/dbraw/zinc/10/16/16/557101616.db2.gz KQZXJBFNGJUJGE-UHFFFAOYSA-N 0 0 446.555 2.985 50 0 IFAARN O=C(NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1ccc2c(c1)OCO2 ZINC000049406622 557101869 /nfs/dbraw/zinc/10/18/69/557101869.db2.gz KGZIPSMRGSQJSU-UHFFFAOYSA-N 0 0 436.443 2.979 50 0 IFAARN Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(F)c4)CC3)nn2)ccc1F ZINC000049406490 557101969 /nfs/dbraw/zinc/10/19/69/557101969.db2.gz HVLGAAZDMUZAEI-UHFFFAOYSA-N 0 0 425.439 2.889 50 0 IFAARN O=c1c(=O)n(-c2ccccc2)ccn1Cc1nc(-c2ccc(Br)cc2)no1 ZINC000049407681 557102832 /nfs/dbraw/zinc/10/28/32/557102832.db2.gz UJUHSBJBBAIRPG-UHFFFAOYSA-N 0 0 425.242 2.860 50 0 IFAARN C[C@H](NC(=O)COC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(Cl)cc1 ZINC000023653764 557103141 /nfs/dbraw/zinc/10/31/41/557103141.db2.gz HDPZUJWZXDGGJP-GJGORFQUSA-N 0 0 435.908 2.561 50 0 IFAARN C[C@H](OC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000023673762 557105055 /nfs/dbraw/zinc/10/50/55/557105055.db2.gz GCHCMXSLDISKSQ-VZSHHBOJSA-N 0 0 427.501 2.546 50 0 IFAARN CCOc1ccc(C(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)cc1OCC ZINC000585147597 557105479 /nfs/dbraw/zinc/10/54/79/557105479.db2.gz DIKSBJTYNQJDJX-UHFFFAOYSA-N 0 0 445.541 2.948 50 0 IFAARN CC(C)[C@@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc2c(c1)OCCO2 ZINC000023675352 557105598 /nfs/dbraw/zinc/10/55/98/557105598.db2.gz CSTXYDUYGWCQKI-NKTGRTDOSA-N 0 0 429.517 2.772 50 0 IFAARN Cc1cc2nn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)n2c(Nc2ccccc2C)n1 ZINC000049410629 557105792 /nfs/dbraw/zinc/10/57/92/557105792.db2.gz QOFRFFMHIOAZSA-UHFFFAOYSA-N 0 0 446.467 2.661 50 0 IFAARN CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)cc2)ccc1=O ZINC000023681260 557105916 /nfs/dbraw/zinc/10/59/16/557105916.db2.gz UIHFWHVBJAGRCG-IYBDPMFKSA-N 0 0 432.546 2.857 50 0 IFAARN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)cc2)cc1 ZINC000033321249 557105971 /nfs/dbraw/zinc/10/59/71/557105971.db2.gz JUEZQWLZHSEDJL-UHFFFAOYSA-N 0 0 427.482 2.647 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2cn(-c3cc(N4CCCCC4)ncn3)cn2)CC1 ZINC000049411180 557106111 /nfs/dbraw/zinc/10/61/11/557106111.db2.gz NRCCPIBYIRRHNM-UHFFFAOYSA-N 0 0 447.543 2.624 50 0 IFAARN Cc1ccc(N2CN(CC(=O)NCCc3ccccc3)S(=O)(=O)c3cccnc32)cc1 ZINC000049411399 557106353 /nfs/dbraw/zinc/10/63/53/557106353.db2.gz HPJAEGQSPHWIOH-UHFFFAOYSA-N 0 0 436.537 2.849 50 0 IFAARN Cc1nc(-c2noc(-c3ccncc3)n2)cn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000049420720 557107149 /nfs/dbraw/zinc/10/71/49/557107149.db2.gz XRLAGRUHZWRQGI-UHFFFAOYSA-N 0 0 447.474 2.791 50 0 IFAARN COc1nn(C)cc1C(=O)N1CCC(c2nnc(Cc3ccc(OC)cc3)s2)CC1 ZINC000049422494 557109632 /nfs/dbraw/zinc/10/96/32/557109632.db2.gz WKWSNVYLAXKXGA-UHFFFAOYSA-N 0 0 427.530 2.899 50 0 IFAARN CC(C)C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O)c1nnc2ccccn21 ZINC000409414880 557110033 /nfs/dbraw/zinc/11/00/33/557110033.db2.gz QMRVFTLYUYCNQY-QZTJIDSGSA-N 0 0 434.500 2.838 50 0 IFAARN COc1ccc(NC(=O)NCCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1 ZINC000011357465 557110293 /nfs/dbraw/zinc/11/02/93/557110293.db2.gz PSDYKXOHXKXZPH-UHFFFAOYSA-N 0 0 448.545 2.922 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccccc34)n2)cc1OC ZINC000049543360 557110516 /nfs/dbraw/zinc/11/05/16/557110516.db2.gz UERSAGMSJODTIJ-UHFFFAOYSA-N 0 0 432.480 2.768 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 ZINC000049546067 557111461 /nfs/dbraw/zinc/11/14/61/557111461.db2.gz VFJUXTBWGXMFHH-UHFFFAOYSA-N 0 0 428.286 2.998 50 0 IFAARN CCCCOC(=O)Cn1c(=O)c2nc3cc(-c4ccc(Cl)cc4)oc3nc2n(C)c1=O ZINC000585152486 557113046 /nfs/dbraw/zinc/11/30/46/557113046.db2.gz NXYWISRSBIVRGX-UHFFFAOYSA-N 0 0 442.859 2.900 50 0 IFAARN O=C(NCC1(c2ccccc2)CCOCC1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000049513234 557114157 /nfs/dbraw/zinc/11/41/57/557114157.db2.gz LCBNRCUUVFWULH-UHFFFAOYSA-N 0 0 447.535 2.715 50 0 IFAARN CCn1c(SCC(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccco1 ZINC000023763498 557115274 /nfs/dbraw/zinc/11/52/74/557115274.db2.gz PTJUNBQCRPSWAQ-UONOGXRCSA-N 0 0 449.533 2.598 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCc3ccco3)CC2)cc1 ZINC000023805249 557116676 /nfs/dbraw/zinc/11/66/76/557116676.db2.gz JQAFQXNBCDNDGF-UHFFFAOYSA-N 0 0 448.541 2.663 50 0 IFAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1CCCN1CCOCC1 ZINC000033331872 557116936 /nfs/dbraw/zinc/11/69/36/557116936.db2.gz CEVWPDKXIBPBRH-XMMPIXPASA-N 0 0 442.560 2.620 50 0 IFAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCN1CCOCC1 ZINC000033332075 557117004 /nfs/dbraw/zinc/11/70/04/557117004.db2.gz USHISDXCXPSNDK-VWLOTQADSA-N 0 0 438.572 2.637 50 0 IFAARN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)o1 ZINC000023805729 557117446 /nfs/dbraw/zinc/11/74/46/557117446.db2.gz AZQXKIVJJHKUQN-INIZCTEOSA-N 0 0 429.336 2.702 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2F)C1 ZINC000049693978 557117914 /nfs/dbraw/zinc/11/79/14/557117914.db2.gz SEJCLMCIYWGNIL-PABFRNLHSA-N 0 0 436.509 2.694 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2cccc(C)c2)C1 ZINC000049694045 557118034 /nfs/dbraw/zinc/11/80/34/557118034.db2.gz KWSNLEZRZUTLIT-IYPOZPNPSA-N 0 0 446.573 2.887 50 0 IFAARN COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/N(C)C)C1 ZINC000049694062 557118047 /nfs/dbraw/zinc/11/80/47/557118047.db2.gz ATYXYJPBRLRACX-BYIUCRAPSA-N 0 0 448.545 2.563 50 0 IFAARN COc1ccc(/C=C/C(=O)N2CCN(CCNC(=O)/C=C\c3ccc(OC)cc3)CC2)cc1 ZINC000033333646 557118286 /nfs/dbraw/zinc/11/82/86/557118286.db2.gz DWIQMYDAFYTOQN-MFUUIURDSA-N 0 0 449.551 2.691 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000023818852 557118765 /nfs/dbraw/zinc/11/87/65/557118765.db2.gz SRMODZNNTDHEIN-UHFFFAOYSA-N 0 0 427.570 2.819 50 0 IFAARN CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2CCOC)CC1 ZINC000023819251 557118978 /nfs/dbraw/zinc/11/89/78/557118978.db2.gz KPAPAIVNKMHEFX-OAHLLOKOSA-N 0 0 437.997 2.890 50 0 IFAARN NC(=O)N1CCC[C@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000023819831 557119064 /nfs/dbraw/zinc/11/90/64/557119064.db2.gz OBSCGHYJOGTNII-IBGZPJMESA-N 0 0 442.510 2.989 50 0 IFAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)C(=O)N(C(C)C)C1=O)CC2 ZINC000023842240 557119704 /nfs/dbraw/zinc/11/97/04/557119704.db2.gz WWPPTHJHKWRQKP-NRFANRHFSA-N 0 0 437.496 2.808 50 0 IFAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000023845672 557120194 /nfs/dbraw/zinc/12/01/94/557120194.db2.gz UYPQOGCDKYRAEW-UHFFFAOYSA-N 0 0 440.529 2.523 50 0 IFAARN CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000023235758 557120278 /nfs/dbraw/zinc/12/02/78/557120278.db2.gz QWCYDHBNEAXBHE-KRWDZBQOSA-N 0 0 434.539 2.972 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000004790200 557120597 /nfs/dbraw/zinc/12/05/97/557120597.db2.gz FWUFEWRFBJNNML-UHFFFAOYSA-N 0 0 441.509 2.603 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1cccs1 ZINC000098086665 557122331 /nfs/dbraw/zinc/12/23/31/557122331.db2.gz RQMIOMWGDWQIJK-WSDUQJHMSA-N 0 0 435.530 2.951 50 0 IFAARN Cc1nnc(SCC(=O)Nc2ccc(I)cc2C(C)C)n1N ZINC000000641979 557124143 /nfs/dbraw/zinc/12/41/43/557124143.db2.gz PHRZCIUTHSKQSF-UHFFFAOYSA-N 0 0 431.303 2.759 50 0 IFAARN Cc1sc2nc(CN3CCN(C(=O)c4cn5c(cccc5C)n4)CC3)[nH]c(=O)c2c1C ZINC000023908254 557124835 /nfs/dbraw/zinc/12/48/35/557124835.db2.gz SKKDVIWGAJLEKZ-UHFFFAOYSA-N 0 0 436.541 2.516 50 0 IFAARN CCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000014942106 557125441 /nfs/dbraw/zinc/12/54/41/557125441.db2.gz SQAGVMRHXXCYJM-UHFFFAOYSA-N 0 0 436.512 2.664 50 0 IFAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000017842912 557125567 /nfs/dbraw/zinc/12/55/67/557125567.db2.gz TYYCBLFELZODFY-UHFFFAOYSA-N 0 0 431.558 2.848 50 0 IFAARN COc1ccc(C2=NN(C(=O)Cn3nnc4ccccc4c3=O)[C@H](c3ccco3)C2)cc1 ZINC000023908981 557125593 /nfs/dbraw/zinc/12/55/93/557125593.db2.gz YOTZLZUXJVRKOM-FQEVSTJZSA-N 0 0 429.436 2.771 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000023909183 557125640 /nfs/dbraw/zinc/12/56/40/557125640.db2.gz KXAZNQUJTJUQMQ-UHFFFAOYSA-N 0 0 441.509 2.619 50 0 IFAARN O=C(NCc1ccc([C@H](O)c2ccco2)s1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000206688360 557126580 /nfs/dbraw/zinc/12/65/80/557126580.db2.gz UFPBPDRTYSNJQD-HXUWFJFHSA-N 0 0 439.493 2.805 50 0 IFAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023989563 557129895 /nfs/dbraw/zinc/12/98/95/557129895.db2.gz IDGFLORWCUGEMT-NRFANRHFSA-N 0 0 437.565 2.640 50 0 IFAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(c5ccccc5F)CC4)ccn3n2)cc1 ZINC000024007506 557131599 /nfs/dbraw/zinc/13/15/99/557131599.db2.gz NUGCWELISZHYSV-UHFFFAOYSA-N 0 0 445.498 2.959 50 0 IFAARN COc1cc(OC)cc([C@@H](NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c2nccn2C)c1 ZINC000024021774 557131968 /nfs/dbraw/zinc/13/19/68/557131968.db2.gz SAZDBVTUPVMHCG-JOCHJYFZSA-N 0 0 447.495 2.826 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000000670438 557132840 /nfs/dbraw/zinc/13/28/40/557132840.db2.gz LSQBWNAZHMKJMI-XGHXRCDJSA-N 0 0 426.469 2.839 50 0 IFAARN CCOc1cc(/C=C2/N=C(C)OC2=O)cc(I)c1OCC(=O)OC ZINC000000679189 557134621 /nfs/dbraw/zinc/13/46/21/557134621.db2.gz IAXUIXORZZSXBE-WUXMJOGZSA-N 0 0 445.209 2.558 50 0 IFAARN CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1CCCc2ccccc21 ZINC000024071577 557135183 /nfs/dbraw/zinc/13/51/83/557135183.db2.gz PHLKAIQDAYKRCZ-NRFANRHFSA-N 0 0 445.560 2.668 50 0 IFAARN CCCCNS(=O)(=O)c1cccc(NC(=O)CCn2cnc3sccc3c2=O)c1 ZINC000011382175 557137077 /nfs/dbraw/zinc/13/70/77/557137077.db2.gz BLZAVKXSCGDXMR-UHFFFAOYSA-N 0 0 434.543 2.565 50 0 IFAARN O=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024778085 557138082 /nfs/dbraw/zinc/13/80/82/557138082.db2.gz PRWLRAUWXZKUFT-UHFFFAOYSA-N 0 0 446.433 2.704 50 0 IFAARN CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1cc(Cl)c2c(c1)OCCO2 ZINC000024175483 557139733 /nfs/dbraw/zinc/13/97/33/557139733.db2.gz ZFSCRASLAAJFBY-QFIPXVFZSA-N 0 0 442.855 2.763 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1ccccc1Cc1ccccc1)C2=O ZINC000011399169 557140039 /nfs/dbraw/zinc/14/00/39/557140039.db2.gz UVBYPYONUDVVJV-UHFFFAOYSA-N 0 0 449.507 2.966 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(C(=O)N2CCOCC2)CC1 ZINC000024251910 557142117 /nfs/dbraw/zinc/14/21/17/557142117.db2.gz FPMHGBONYXAWSC-ZDUSSCGKSA-N 0 0 448.873 2.756 50 0 IFAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(Cc2ccccc2F)CC1 ZINC000023259594 557142230 /nfs/dbraw/zinc/14/22/30/557142230.db2.gz JRONVDXOBIOCOT-UHFFFAOYSA-N 0 0 432.927 2.694 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc(N2CCCC2=O)c1 ZINC000024289684 557143267 /nfs/dbraw/zinc/14/32/67/557143267.db2.gz SWANVZJNTDQPSD-UHFFFAOYSA-N 0 0 433.555 2.841 50 0 IFAARN NC(=O)N[C@H](CC(=O)N1CCC(C(=O)NCc2ccccc2)CC1)c1ccccc1Cl ZINC000024285853 557143340 /nfs/dbraw/zinc/14/33/40/557143340.db2.gz YUTMVVPSZKADCU-HXUWFJFHSA-N 0 0 442.947 2.995 50 0 IFAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1 ZINC000024803268 557147014 /nfs/dbraw/zinc/14/70/14/557147014.db2.gz RBJHLKPIRMKNBR-UHFFFAOYSA-N 0 0 432.484 2.743 50 0 IFAARN COC(=O)C[C@H](NC(=O)CCCn1c2ccccc2oc1=O)c1ccc(OC)c(OC)c1 ZINC000024485859 557147968 /nfs/dbraw/zinc/14/79/68/557147968.db2.gz WZTMVRKVVROEAS-INIZCTEOSA-N 0 0 442.468 2.813 50 0 IFAARN CSCC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000247518385 557149523 /nfs/dbraw/zinc/14/95/23/557149523.db2.gz KPOPCGXMTXIMLO-NJDAHSKKSA-N 0 0 443.613 2.628 50 0 IFAARN O=C(COC(=O)c1ccc(F)cc1Cl)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000011455767 557150480 /nfs/dbraw/zinc/15/04/80/557150480.db2.gz HRKUJBDXMHKQNI-OAHLLOKOSA-N 0 0 431.913 2.984 50 0 IFAARN C[C@@H](Sc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)C1CCCCC1 ZINC000011457604 557150827 /nfs/dbraw/zinc/15/08/27/557150827.db2.gz USLJNZLFFCEXRE-CYBMUJFWSA-N 0 0 447.605 2.596 50 0 IFAARN CSCC[C@@H](NC(=O)C[C@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 ZINC000247533522 557151935 /nfs/dbraw/zinc/15/19/35/557151935.db2.gz POXGVPCUSCHJNK-QZTJIDSGSA-N 0 0 437.525 2.988 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000000724077 557153283 /nfs/dbraw/zinc/15/32/83/557153283.db2.gz WAAMUJQNJOUNNF-GANRHZMWSA-N 0 0 428.897 2.963 50 0 IFAARN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606723 557153354 /nfs/dbraw/zinc/15/33/54/557153354.db2.gz ZEZUDYNIUOBKFY-OAHLLOKOSA-N 0 0 435.571 2.927 50 0 IFAARN CCCNC(=O)[C@@H](C)OC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000023277502 557153446 /nfs/dbraw/zinc/15/34/46/557153446.db2.gz TVZTVPNEJJWVRV-RISCZKNCSA-N 0 0 439.361 2.754 50 0 IFAARN CC[C@@H](C(=O)NCc1ccccc1)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000011497509 557153696 /nfs/dbraw/zinc/15/36/96/557153696.db2.gz XEJRYUBYHQEUCT-QFIPXVFZSA-N 0 0 429.586 2.786 50 0 IFAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CCn1cnc2ccccc2c1=O ZINC000024820732 557153871 /nfs/dbraw/zinc/15/38/71/557153871.db2.gz SDEONQCOFKHQCI-UHFFFAOYSA-N 0 0 443.301 2.646 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000024609749 557154604 /nfs/dbraw/zinc/15/46/04/557154604.db2.gz DLNPUZLRXBSRPG-UHFFFAOYSA-N 0 0 434.533 2.735 50 0 IFAARN CCCN1c2ccccc2[C@@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)C1=O ZINC000095476702 557157472 /nfs/dbraw/zinc/15/74/72/557157472.db2.gz KGVMCFJKFHWNSB-JOCHJYFZSA-N 0 0 428.456 2.881 50 0 IFAARN COC(=O)c1csc(N2N=C3c4ccc(OC)cc4CC[C@H]3[C@]2(O)C(F)(F)F)n1 ZINC000016957622 557159156 /nfs/dbraw/zinc/15/91/56/557159156.db2.gz GUGKDIFGPJWWEK-PXAZEXFGSA-N 0 0 427.404 2.976 50 0 IFAARN Cc1cccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c1 ZINC000206772364 557162113 /nfs/dbraw/zinc/16/21/13/557162113.db2.gz KLRZGRNGKPNXCN-KRWDZBQOSA-N 0 0 442.541 2.590 50 0 IFAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1OCC ZINC000024752387 557162707 /nfs/dbraw/zinc/16/27/07/557162707.db2.gz BHJAGHPBQBNVMX-IYBDPMFKSA-N 0 0 427.567 2.577 50 0 IFAARN COC(=O)c1sccc1S(=O)(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000024757140 557163655 /nfs/dbraw/zinc/16/36/55/557163655.db2.gz MMWKJSWCCKQBTO-UHFFFAOYSA-N 0 0 434.539 2.780 50 0 IFAARN COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(OC)c(OC)c1OC ZINC000206801654 557165142 /nfs/dbraw/zinc/16/51/42/557165142.db2.gz QQOHZBODTQJWKT-CZUORRHYSA-N 0 0 433.432 2.687 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000206841860 557166314 /nfs/dbraw/zinc/16/63/14/557166314.db2.gz AFQMVDVSAANYIG-KRWDZBQOSA-N 0 0 427.482 2.526 50 0 IFAARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccccc1S(=O)(=O)C(F)F ZINC000206843823 557166397 /nfs/dbraw/zinc/16/63/97/557166397.db2.gz YFEOXAQLEFGRLK-CQSZACIVSA-N 0 0 449.435 2.972 50 0 IFAARN O=C(c1occc1COc1ccccc1)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024777869 557167319 /nfs/dbraw/zinc/16/73/19/557167319.db2.gz SVKKURJHHLOAPP-UHFFFAOYSA-N 0 0 430.468 2.797 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000024831457 557170614 /nfs/dbraw/zinc/17/06/14/557170614.db2.gz FYYNIQQDEDISAP-QFIPXVFZSA-N 0 0 445.585 2.520 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c(C)n2n1 ZINC000024869850 557173947 /nfs/dbraw/zinc/17/39/47/557173947.db2.gz RQMXXVGERGVAKG-MRXNPFEDSA-N 0 0 438.557 2.883 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000000780485 557176057 /nfs/dbraw/zinc/17/60/57/557176057.db2.gz JOGOEROTNRKJBV-UHFFFAOYSA-N 0 0 426.513 2.924 50 0 IFAARN O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000000780768 557176070 /nfs/dbraw/zinc/17/60/70/557176070.db2.gz TUYRVTQKGVBZSK-KRWDZBQOSA-N 0 0 440.924 2.965 50 0 IFAARN CN(C(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O)[C@H]1CCCc2ccccc21 ZINC000024880226 557176594 /nfs/dbraw/zinc/17/65/94/557176594.db2.gz OMNICZKCIXGDNU-UQBPGWFLSA-N 0 0 449.507 2.804 50 0 IFAARN Cc1ccccc1Cn1c2nnc(-c3ccc(Cl)cc3)n2c2c1c(=O)n(C)c(=O)n2C ZINC000010968660 557176630 /nfs/dbraw/zinc/17/66/30/557176630.db2.gz FSQHTTBLCDAZOI-UHFFFAOYSA-N 0 0 434.887 2.759 50 0 IFAARN CNC(=O)c1ccc(CN(C)C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000024922208 557178997 /nfs/dbraw/zinc/17/89/97/557178997.db2.gz RNZSXSPKPKCETR-UHFFFAOYSA-N 0 0 438.553 2.745 50 0 IFAARN COC(=O)c1ccccc1N(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000024925965 557179715 /nfs/dbraw/zinc/17/97/15/557179715.db2.gz QTWLHHKNKAKILF-UHFFFAOYSA-N 0 0 434.489 2.676 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000024942171 557181365 /nfs/dbraw/zinc/18/13/65/557181365.db2.gz YDJIRJGPYQBKCK-HNNXBMFYSA-N 0 0 430.530 2.659 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C)C(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000024942167 557181485 /nfs/dbraw/zinc/18/14/85/557181485.db2.gz YDJIRJGPYQBKCK-OAHLLOKOSA-N 0 0 430.530 2.659 50 0 IFAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2C)c1 ZINC000009095835 557181741 /nfs/dbraw/zinc/18/17/41/557181741.db2.gz CKQJOMDWWVDAJQ-UHFFFAOYSA-N 0 0 447.467 2.763 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC ZINC000096211454 557183550 /nfs/dbraw/zinc/18/35/50/557183550.db2.gz OBUZLHDSOKDIAS-VQTJNVASSA-N 0 0 444.503 2.851 50 0 IFAARN COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 ZINC000024974607 557184243 /nfs/dbraw/zinc/18/42/43/557184243.db2.gz MNUAOVFMXDIKBH-KSSFIOAISA-N 0 0 437.448 2.898 50 0 IFAARN Cn1c2ccc(NC(=O)CSc3nnc(-c4ccccc4F)n3C)cc2n(C)c1=O ZINC000009263866 557185099 /nfs/dbraw/zinc/18/50/99/557185099.db2.gz LBJFYWBMMIIMBW-UHFFFAOYSA-N 0 0 426.477 2.542 50 0 IFAARN CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000009263949 557185154 /nfs/dbraw/zinc/18/51/54/557185154.db2.gz YHXQGNOLOONXQG-LLVKDONJSA-N 0 0 431.547 2.680 50 0 IFAARN Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccc(F)cc1 ZINC000009263805 557185199 /nfs/dbraw/zinc/18/51/99/557185199.db2.gz GXQSOFIEVVKGQO-UHFFFAOYSA-N 0 0 428.445 2.588 50 0 IFAARN O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000024978442 557185265 /nfs/dbraw/zinc/18/52/65/557185265.db2.gz OOJJACZDNLEFIU-UHFFFAOYSA-N 0 0 429.450 2.640 50 0 IFAARN Cc1ccc(-n2c(S[C@H](C)C(=O)NCc3ccco3)nnc2N2CCOCC2)cc1 ZINC000024982742 557185571 /nfs/dbraw/zinc/18/55/71/557185571.db2.gz VXCFEGFDSVDKTQ-MRXNPFEDSA-N 0 0 427.530 2.802 50 0 IFAARN CCn1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c2ccccc21 ZINC000024980778 557185586 /nfs/dbraw/zinc/18/55/86/557185586.db2.gz UWLAWJHDJVUJEZ-UHFFFAOYSA-N 0 0 427.526 2.612 50 0 IFAARN COc1ccc(OCc2nnc(SCC(=O)Nc3nnc(C4CC4)s3)n2C)cc1 ZINC000009302817 557185754 /nfs/dbraw/zinc/18/57/54/557185754.db2.gz CCKNZKNVZCLFFZ-UHFFFAOYSA-N 0 0 432.531 2.862 50 0 IFAARN O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1C[C@@H](O)CN1CCOCC1 ZINC000024989912 557187321 /nfs/dbraw/zinc/18/73/21/557187321.db2.gz KGTXAUYYVPVBJA-KRWDZBQOSA-N 0 0 444.329 2.519 50 0 IFAARN O=C(N[C@H]1CCOc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000024990017 557187328 /nfs/dbraw/zinc/18/73/28/557187328.db2.gz QWOYRZXIMWQSFN-SFHVURJKSA-N 0 0 436.917 2.615 50 0 IFAARN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CNC(=O)c3cccc(F)c3)C2=O)cc1 ZINC000097996372 557188156 /nfs/dbraw/zinc/18/81/56/557188156.db2.gz MSWXZSWOBAVBLO-WOJGMQOQSA-N 0 0 441.484 2.717 50 0 IFAARN O=C(CNC(=O)c1ccc(F)cc1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000097996353 557188281 /nfs/dbraw/zinc/18/82/81/557188281.db2.gz FRLYUWRMRWBHIN-GZTJUZNOSA-N 0 0 445.447 2.547 50 0 IFAARN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CNC(=O)c3ccc(F)cc3)C2=O)cc1 ZINC000097996371 557188304 /nfs/dbraw/zinc/18/83/04/557188304.db2.gz YCDOZOLLIMHSGG-LDADJPATSA-N 0 0 441.484 2.717 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2Cl)C1 ZINC000024995391 557188353 /nfs/dbraw/zinc/18/83/53/557188353.db2.gz HBYIZPMVQLHVLW-OAHLLOKOSA-N 0 0 442.965 2.740 50 0 IFAARN Cn1ncc2c1ncnc2SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000025000667 557188715 /nfs/dbraw/zinc/18/87/15/557188715.db2.gz OOSLGBIVAOBLMH-ZDUSSCGKSA-N 0 0 436.419 2.762 50 0 IFAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2C)cc1 ZINC000009426895 557188856 /nfs/dbraw/zinc/18/88/56/557188856.db2.gz GLTNLJBWZVIPPO-UHFFFAOYSA-N 0 0 426.498 2.917 50 0 IFAARN Cn1c2ccc(Br)cc2sc1=NC(=O)CSCC(=O)N1CCCC1 ZINC000100825411 557189131 /nfs/dbraw/zinc/18/91/31/557189131.db2.gz DLEKMTHJUIYBDZ-VLGSPTGOSA-N 0 0 428.377 2.785 50 0 IFAARN Cc1ccc(C(=O)NCCNS(=O)(=O)Cc2ccc(Br)cc2F)cc1F ZINC000072232406 557194584 /nfs/dbraw/zinc/19/45/84/557194584.db2.gz RVIXXHCJUJBALP-UHFFFAOYSA-N 0 0 447.301 2.885 50 0 IFAARN COc1ccc(Cn2c(SCc3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)cc1 ZINC000010972925 557197681 /nfs/dbraw/zinc/19/76/81/557197681.db2.gz OMWISEFOQQBDOK-UHFFFAOYSA-N 0 0 449.540 2.579 50 0 IFAARN O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000025171727 557198418 /nfs/dbraw/zinc/19/84/18/557198418.db2.gz MUMWXGRACIIGAK-UHFFFAOYSA-N 0 0 432.528 2.843 50 0 IFAARN O=C(c1ccccc1)N1CCN([C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 ZINC000096316605 557198476 /nfs/dbraw/zinc/19/84/76/557198476.db2.gz UIMUDWQNNPMCGJ-GOSISDBHSA-N 0 0 442.313 2.539 50 0 IFAARN CC(=O)c1cc(CCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)oc1C ZINC000025171918 557198610 /nfs/dbraw/zinc/19/86/10/557198610.db2.gz UBEMAOCWXMIAFF-UHFFFAOYSA-N 0 0 444.553 2.745 50 0 IFAARN COC(=O)c1cccc2c1CCCN2C(=O)CCCN(C)S(=O)(=O)c1cccs1 ZINC000025194140 557199811 /nfs/dbraw/zinc/19/98/11/557199811.db2.gz IADBXRUIGAPVOU-UHFFFAOYSA-N 0 0 436.555 2.915 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000025203518 557199839 /nfs/dbraw/zinc/19/98/39/557199839.db2.gz QPWZXNJSSMXPIP-UHFFFAOYSA-N 0 0 432.436 2.510 50 0 IFAARN O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)N2CCOCC2)cs1 ZINC000000792990 557199926 /nfs/dbraw/zinc/19/99/26/557199926.db2.gz GNYDMDSKOVDNAI-UHFFFAOYSA-N 0 0 431.333 2.784 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000025290400 557202883 /nfs/dbraw/zinc/20/28/83/557202883.db2.gz JKRVKMPUSWLICE-FQEVSTJZSA-N 0 0 430.936 2.642 50 0 IFAARN Cc1ccc(N2N=C(C(=O)N3CCC(C(=O)c4ccc(C)cc4C)CC3)NCC2=O)cc1 ZINC000025303212 557203144 /nfs/dbraw/zinc/20/31/44/557203144.db2.gz HLGZRSZIHRYZCH-UHFFFAOYSA-N 0 0 432.524 2.983 50 0 IFAARN CSc1ncc(C(=O)NCc2ccnc(N3CCOCC3)c2)n1-c1ccc(F)cc1 ZINC000025291367 557203195 /nfs/dbraw/zinc/20/31/95/557203195.db2.gz FNFAFCNDBJJYBF-UHFFFAOYSA-N 0 0 427.505 2.895 50 0 IFAARN C[C@H](C(=O)Nc1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1)n1cncn1 ZINC000025294484 557203207 /nfs/dbraw/zinc/20/32/07/557203207.db2.gz TVGNOIRGNZEJPO-CQSZACIVSA-N 0 0 439.497 2.980 50 0 IFAARN CC(=O)c1cccc(OC[C@H](O)CN2CCN(CCOc3ccccc3Cl)CC2)c1 ZINC000025305310 557203232 /nfs/dbraw/zinc/20/32/32/557203232.db2.gz GIEXQBPXISYCDF-HXUWFJFHSA-N 0 0 432.948 2.979 50 0 IFAARN COc1cc(C(=O)NC(=S)N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000025326032 557204214 /nfs/dbraw/zinc/20/42/14/557204214.db2.gz KUKHSUUTYRDRDY-UHFFFAOYSA-N 0 0 429.542 2.545 50 0 IFAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCN(Cc2ccccc2)CC1 ZINC000025354815 557205529 /nfs/dbraw/zinc/20/55/29/557205529.db2.gz AOFGHHPMRLJQTO-UHFFFAOYSA-N 0 0 438.509 2.902 50 0 IFAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000025345790 557205711 /nfs/dbraw/zinc/20/57/11/557205711.db2.gz QLJYOKQSBGPMKN-UHFFFAOYSA-N 0 0 427.501 2.970 50 0 IFAARN Cc1cc2oc(=O)cc(CN3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c2cc1C ZINC000025404624 557208539 /nfs/dbraw/zinc/20/85/39/557208539.db2.gz QOEGHHPWTIFKRG-HSZRJFAPSA-N 0 0 434.492 2.894 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(-c4ccncc4)oc3=S)CC2)cc1 ZINC000025435738 557209676 /nfs/dbraw/zinc/20/96/76/557209676.db2.gz MZYRIBBRNGSKLH-UHFFFAOYSA-N 0 0 431.543 2.540 50 0 IFAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCc1nc2ccccc2n1C(F)F ZINC000025440963 557209723 /nfs/dbraw/zinc/20/97/23/557209723.db2.gz UNZSQXSULDJUBG-UHFFFAOYSA-N 0 0 448.451 2.994 50 0 IFAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CSCC(=O)Nc1cc(C)on1)CC3 ZINC000025451912 557210365 /nfs/dbraw/zinc/21/03/65/557210365.db2.gz DMEYWNDACYZGHC-UHFFFAOYSA-N 0 0 442.497 2.508 50 0 IFAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1cnc2c(C)cccc2c1=O)CC3 ZINC000025454691 557210452 /nfs/dbraw/zinc/21/04/52/557210452.db2.gz QQMNXRJBBFQWCU-UHFFFAOYSA-N 0 0 444.491 2.948 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 ZINC000025456588 557210776 /nfs/dbraw/zinc/21/07/76/557210776.db2.gz MOQQUOLWRHYHQC-AUSIDOKSSA-N 0 0 425.460 2.965 50 0 IFAARN CCOc1cc(CN(C)Cn2nc(C(=O)NC)c3ccccc3c2=O)ccc1OC(F)F ZINC000025483189 557212158 /nfs/dbraw/zinc/21/21/58/557212158.db2.gz HCXLTBKWFCAWAE-UHFFFAOYSA-N 0 0 446.454 2.846 50 0 IFAARN CCCn1c(=O)[nH]c2sc3c(c2c1=O)CCN(C(=O)c1cc(C)c(OC)c(C)c1)C3 ZINC000023312406 557212419 /nfs/dbraw/zinc/21/24/19/557212419.db2.gz KQVXPKUBLMNIIH-UHFFFAOYSA-N 0 0 427.526 2.985 50 0 IFAARN CCS(=O)(=O)C(=C1Nc2ccc(OC)c3c(OC)ccc(c23)N1)S(=O)(=O)CC ZINC000101036669 557214420 /nfs/dbraw/zinc/21/44/20/557214420.db2.gz ZIJNWNXGVSHKQB-UHFFFAOYSA-N 0 0 426.516 2.690 50 0 IFAARN O=C(N[C@H](C(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccc1)c1cccs1 ZINC000025581254 557216420 /nfs/dbraw/zinc/21/64/20/557216420.db2.gz XCNMDQVKZKMIBI-NRFANRHFSA-N 0 0 436.537 2.767 50 0 IFAARN Cc1cc(NC(=O)CSCC(=O)OCC(=O)c2ccc(Br)cc2)no1 ZINC000011644429 557219136 /nfs/dbraw/zinc/21/91/36/557219136.db2.gz JRQMCSSXUYMHAK-UHFFFAOYSA-N 0 0 427.276 2.843 50 0 IFAARN COc1ccc(Cc2nnc(SCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)o2)cc1 ZINC000011649743 557219453 /nfs/dbraw/zinc/21/94/53/557219453.db2.gz KIKPUDPZNPDKQC-UHFFFAOYSA-N 0 0 444.488 2.997 50 0 IFAARN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000025620243 557219554 /nfs/dbraw/zinc/21/95/54/557219554.db2.gz VHUFBYNDWAZGGT-FQEVSTJZSA-N 0 0 437.504 2.842 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000025691869 557222067 /nfs/dbraw/zinc/22/20/67/557222067.db2.gz XYCPRHWDUCLQFN-PMACEKPBSA-N 0 0 444.553 2.935 50 0 IFAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000018019705 557222179 /nfs/dbraw/zinc/22/21/79/557222179.db2.gz XKMVNOXMPNHTMA-UHFFFAOYSA-N 0 0 444.285 2.532 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1 ZINC000025707636 557222984 /nfs/dbraw/zinc/22/29/84/557222984.db2.gz TXJJGTCVOASABR-UHFFFAOYSA-N 0 0 444.534 2.806 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC(=O)Nc2cnccc21 ZINC000072300967 557223396 /nfs/dbraw/zinc/22/33/96/557223396.db2.gz HKLFFCYQSBUVRM-UHFFFAOYSA-N 0 0 442.541 2.564 50 0 IFAARN CCc1nn2c(nc(CSc3nc4sc5c(c4c(=O)n3C)CCC5)cc2=O)s1 ZINC000025726967 557223605 /nfs/dbraw/zinc/22/36/05/557223605.db2.gz CDGRQIMEMRXHIZ-UHFFFAOYSA-N 0 0 431.568 2.803 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc4c(c(Cl)c3)OCO4)CC2)cc1 ZINC000025779335 557225521 /nfs/dbraw/zinc/22/55/21/557225521.db2.gz SYFXWDWKGMXDRX-UHFFFAOYSA-N 0 0 436.917 2.914 50 0 IFAARN CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 ZINC000018021595 557226739 /nfs/dbraw/zinc/22/67/39/557226739.db2.gz FBAJDKBKALTKHD-ZSYWTGECSA-N 0 0 438.281 2.917 50 0 IFAARN COc1cccc(-c2nc(COC(=O)c3ccc(S(N)(=O)=O)cc3)cs2)c1OC ZINC000011040435 557226782 /nfs/dbraw/zinc/22/67/82/557226782.db2.gz YXQXJLKQEVFIGQ-UHFFFAOYSA-N 0 0 434.495 2.832 50 0 IFAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000136917601 557227603 /nfs/dbraw/zinc/22/76/03/557227603.db2.gz DKARJKOEVWXOJB-YESZJQIVSA-N 0 0 448.523 2.871 50 0 IFAARN CCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011347790 557228516 /nfs/dbraw/zinc/22/85/16/557228516.db2.gz VPOGIVFNDOIZFQ-ZDUSSCGKSA-N 0 0 434.543 2.736 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COc2cccc(C(C)(C)C)c2)CC1 ZINC000025895267 557229419 /nfs/dbraw/zinc/22/94/19/557229419.db2.gz OXANWQIPKRBNQO-UHFFFAOYSA-N 0 0 435.546 2.501 50 0 IFAARN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1=O ZINC000025913577 557229890 /nfs/dbraw/zinc/22/98/90/557229890.db2.gz DRHACHIDPNUDQJ-XMMPIXPASA-N 0 0 437.471 2.714 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1ccc(OCc2ccccc2Cl)cc1 ZINC000011692413 557231892 /nfs/dbraw/zinc/23/18/92/557231892.db2.gz WWDMRKSEHWFGOB-UHFFFAOYSA-N 0 0 437.887 2.818 50 0 IFAARN COc1ccc(Br)c(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)c1 ZINC000026056396 557232860 /nfs/dbraw/zinc/23/28/60/557232860.db2.gz PZBGOTDVKSTYPC-UHFFFAOYSA-N 0 0 433.349 2.700 50 0 IFAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)c4cc(OC)cc(OC)c4)nn32)cc1 ZINC000011693889 557232877 /nfs/dbraw/zinc/23/28/77/557232877.db2.gz GDBKMCHLHCDFLX-UHFFFAOYSA-N 0 0 449.467 2.626 50 0 IFAARN C[C@H]1Cc2cc(-c3csc(CC(=O)NCc4ccco4)n3)ccc2N1S(C)(=O)=O ZINC000026163068 557236695 /nfs/dbraw/zinc/23/66/95/557236695.db2.gz PQDNWCDSXKZMRV-ZDUSSCGKSA-N 0 0 431.539 2.973 50 0 IFAARN COCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000032950452 557236788 /nfs/dbraw/zinc/23/67/88/557236788.db2.gz APOJSACNVCIXBP-UHFFFAOYSA-N 0 0 444.542 2.608 50 0 IFAARN Nc1nc(COC(=O)CSc2ccc3c(c2)OCCO3)nc(Nc2ccc(F)cc2)n1 ZINC000026257172 557238044 /nfs/dbraw/zinc/23/80/44/557238044.db2.gz SYCWWQHURGGJEJ-UHFFFAOYSA-N 0 0 443.460 2.943 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000100083983 557240243 /nfs/dbraw/zinc/24/02/43/557240243.db2.gz LHFOBMNSAPZYCO-HXUWFJFHSA-N 0 0 441.915 2.971 50 0 IFAARN O=C(CCN1C(=O)COc2ccccc21)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000026392853 557240385 /nfs/dbraw/zinc/24/03/85/557240385.db2.gz ASMPHBZGWCSWBW-UHFFFAOYSA-N 0 0 438.509 2.887 50 0 IFAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)NCc3ccccc3Br)n2)cc1 ZINC000583649863 557240671 /nfs/dbraw/zinc/24/06/71/557240671.db2.gz ZHAHHLFILHOZQX-KRWDZBQOSA-N 0 0 431.290 2.713 50 0 IFAARN Cc1c(NC(=O)CCN2C(=O)CCC2=O)cccc1C(=O)N1CCc2sccc2C1 ZINC000026413364 557240761 /nfs/dbraw/zinc/24/07/61/557240761.db2.gz ADBKMDOALDBWKU-UHFFFAOYSA-N 0 0 425.510 2.733 50 0 IFAARN COc1ccc(CNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)cn1 ZINC000011006664 557241015 /nfs/dbraw/zinc/24/10/15/557241015.db2.gz JDYUSYGXYQJCRH-UHFFFAOYSA-N 0 0 432.274 2.545 50 0 IFAARN COc1ccc([C@H](O)Cn2cnc(C(=O)NCc3cccc(Br)c3)n2)cc1 ZINC000583648872 557241490 /nfs/dbraw/zinc/24/14/90/557241490.db2.gz BZBZZTLBTNPUNE-QGZVFWFLSA-N 0 0 431.290 2.713 50 0 IFAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000018128534 557242291 /nfs/dbraw/zinc/24/22/91/557242291.db2.gz JVFFOGUDNRBKIX-UHFFFAOYSA-N 0 0 434.540 2.994 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3O)CC2)ccc1C ZINC000026525531 557243260 /nfs/dbraw/zinc/24/32/60/557243260.db2.gz DSKJJJCFRDPVSE-UHFFFAOYSA-N 0 0 431.558 2.694 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000014772789 557243268 /nfs/dbraw/zinc/24/32/68/557243268.db2.gz HNYBXDDRQARHMK-HOTGVXAUSA-N 0 0 444.509 2.829 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCOc2ccc(Cl)cc2)CC1 ZINC000018151093 557243514 /nfs/dbraw/zinc/24/35/14/557243514.db2.gz PSOWSWSVUCIOKT-UHFFFAOYSA-N 0 0 441.937 2.541 50 0 IFAARN Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)n1C[C@H]1CCCO1 ZINC000018164874 557244495 /nfs/dbraw/zinc/24/44/95/557244495.db2.gz PPRLQBCDDOVUBQ-QGZVFWFLSA-N 0 0 437.496 2.879 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@@H]3C=CC=NN23)cc1 ZINC000018164023 557244955 /nfs/dbraw/zinc/24/49/55/557244955.db2.gz LETHFPKVHTZPFC-LWYYNNOASA-N 0 0 435.867 2.946 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2SC[C@@H]2CCCO2)cc1 ZINC000026673182 557246232 /nfs/dbraw/zinc/24/62/32/557246232.db2.gz FXFUKHGBLURGSX-KRWDZBQOSA-N 0 0 434.583 2.974 50 0 IFAARN C[C@H]1CCC[C@H](C)C12NC(=O)N(CN1CCC(NC(=O)c3ccc(F)cc3)CC1)C2=O ZINC000026651335 557246253 /nfs/dbraw/zinc/24/62/53/557246253.db2.gz MGBTXWOJJFFUEO-HOTGVXAUSA-N 0 0 430.524 2.724 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCn1ccnc1 ZINC000604403966 557246601 /nfs/dbraw/zinc/24/66/01/557246601.db2.gz GIFJABRHDMBCKY-QFIPXVFZSA-N 0 0 429.480 2.595 50 0 IFAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3cn[nH]c3)[C@H]21 ZINC000604404908 557248184 /nfs/dbraw/zinc/24/81/84/557248184.db2.gz LQFVUORWJSDZOE-NRFANRHFSA-N 0 0 447.451 2.571 50 0 IFAARN O=C(c1cnc2c(OC(F)(F)F)cccc2c1O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000604405785 557249212 /nfs/dbraw/zinc/24/92/12/557249212.db2.gz VNBNQZSWKAVDNO-OLZOCXBDSA-N 0 0 445.397 2.848 50 0 IFAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCc1cn(C)c3ccccc13)C=C2 ZINC000604405838 557249547 /nfs/dbraw/zinc/24/95/47/557249547.db2.gz SDXUFIAMYFUSNU-UHFFFAOYSA-N 0 0 433.508 2.910 50 0 IFAARN Cc1cc(=O)c(OCC(=O)Nc2nc(-c3cc4c(cc3Cl)NC(=O)C4)cs2)cn1C ZINC000604418597 557250287 /nfs/dbraw/zinc/25/02/87/557250287.db2.gz DDQMREJCOJKREZ-UHFFFAOYSA-N 0 0 444.900 2.983 50 0 IFAARN NS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000000812721 557253303 /nfs/dbraw/zinc/25/33/03/557253303.db2.gz MMOOYYQHVDYWQN-UHFFFAOYSA-N 0 0 445.806 2.789 50 0 IFAARN CN(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000814524 557255669 /nfs/dbraw/zinc/25/56/69/557255669.db2.gz PSIOMYDFUQSFBS-UHFFFAOYSA-N 0 0 431.297 2.659 50 0 IFAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1 ZINC000027029011 557255932 /nfs/dbraw/zinc/25/59/32/557255932.db2.gz OIFMMHAKLIOODJ-KRWDZBQOSA-N 0 0 443.352 2.742 50 0 IFAARN CCOC(=O)C1=C(Cn2cnc3sc(C)c(C)c3c2=O)NC(=O)N[C@H]1c1ccco1 ZINC000027118842 557257283 /nfs/dbraw/zinc/25/72/83/557257283.db2.gz STWRBEBXYQKXFV-INIZCTEOSA-N 0 0 428.470 2.539 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCn1cnc2ccccc2c1=O ZINC000027234298 557259087 /nfs/dbraw/zinc/25/90/87/557259087.db2.gz JJLZXYDFWLBPAL-UHFFFAOYSA-N 0 0 432.402 2.903 50 0 IFAARN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccccc1OC(F)(F)F ZINC000027233097 557259146 /nfs/dbraw/zinc/25/91/46/557259146.db2.gz BELMVJSLULZJPL-UHFFFAOYSA-N 0 0 441.431 2.796 50 0 IFAARN COc1ccccc1-c1nnc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)o1 ZINC000011024021 557267800 /nfs/dbraw/zinc/26/78/00/557267800.db2.gz JISSAWAXJKFVDQ-UHFFFAOYSA-N 0 0 448.526 2.846 50 0 IFAARN COc1ccc(CN(CC(=O)N2c3ccccc3C[C@@H]2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027649116 557268250 /nfs/dbraw/zinc/26/82/50/557268250.db2.gz WOHVFLKWHMIXLP-FXAWDEMLSA-N 0 0 428.554 2.662 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1c2c(sc1NC(=O)[C@H]1COc3ccccc3O1)CCC2 ZINC000027663168 557269430 /nfs/dbraw/zinc/26/94/30/557269430.db2.gz LZEWWTLTXUSBSU-SUMWQHHRSA-N 0 0 428.510 2.924 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(C/C=C\c4ccccc4)CC3)C2=O)cc1 ZINC000101396287 557283501 /nfs/dbraw/zinc/28/35/01/557283501.db2.gz JGSSJLAZAZTHQB-FBQZBAQISA-N 0 0 447.535 2.826 50 0 IFAARN COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(CCCc2ccccc2)C3)cc(OC)c1OC ZINC000011665672 557291400 /nfs/dbraw/zinc/29/14/00/557291400.db2.gz ASMCUSJPMRUNOQ-OAQYLSRUSA-N 0 0 437.496 2.795 50 0 IFAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000101502167 557293460 /nfs/dbraw/zinc/29/34/60/557293460.db2.gz DUSRDYBPHTWTMM-HZPDHXFCSA-N 0 0 428.876 2.690 50 0 IFAARN CCn1nc(C)c(CNc2c(=O)c(=O)c2N2CCN(c3cccc(Cl)c3)CC2)c1C ZINC000101701487 557293918 /nfs/dbraw/zinc/29/39/18/557293918.db2.gz KWBSKHVFXXKRHV-UHFFFAOYSA-N 0 0 427.936 2.708 50 0 IFAARN CC[C@](C)(CCCNC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C)C1OCCO1 ZINC000072306335 557294119 /nfs/dbraw/zinc/29/41/19/557294119.db2.gz XCQLMVTVWUWHAS-GHTZIAJQSA-N 0 0 444.569 2.814 50 0 IFAARN COc1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101751342 557297151 /nfs/dbraw/zinc/29/71/51/557297151.db2.gz FITTZZZYRAYFKR-QGZVFWFLSA-N 0 0 425.485 2.951 50 0 IFAARN O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)nc2[nH]c(NCc3cccs3)nn21 ZINC000101797062 557298903 /nfs/dbraw/zinc/29/89/03/557298903.db2.gz ZABCJONNDRLLDT-UHFFFAOYSA-N 0 0 439.520 2.553 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)c(OC)c4)ncn3n2)cc1 ZINC000011666436 557300015 /nfs/dbraw/zinc/30/00/15/557300015.db2.gz WRJBWQSHKOUHOY-UHFFFAOYSA-N 0 0 449.467 2.613 50 0 IFAARN COc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cc(OC)c1 ZINC000014092751 557302110 /nfs/dbraw/zinc/30/21/10/557302110.db2.gz MDUIGKITOMQHBN-GASCZTMLSA-N 0 0 434.514 2.754 50 0 IFAARN Cc1csc(NC(=O)CSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)n1 ZINC000014095937 557303031 /nfs/dbraw/zinc/30/30/31/557303031.db2.gz YMEJFLBOXMIWKN-UHFFFAOYSA-N 0 0 430.559 2.908 50 0 IFAARN CN1c2ccccc2[C@H](c2c(-c3ccc(Cl)cc3)[nH]c3c2c(=O)n(C)c(=O)n3C)C1=O ZINC000101859441 557303778 /nfs/dbraw/zinc/30/37/78/557303778.db2.gz SBSHDMDAJCFQIM-MRXNPFEDSA-N 0 0 434.883 2.994 50 0 IFAARN C=Cc1ccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 ZINC000049402769 557306977 /nfs/dbraw/zinc/30/69/77/557306977.db2.gz DRIZOEYQLUJPMS-UHFFFAOYSA-N 0 0 445.928 2.949 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000014141450 557310451 /nfs/dbraw/zinc/31/04/51/557310451.db2.gz FIQZCPAXDJPTHZ-UHFFFAOYSA-N 0 0 437.588 2.709 50 0 IFAARN CCn1c(SCC(=O)c2ccc(OC)c(Br)c2)nnc1N1CCOCC1 ZINC000014141813 557310502 /nfs/dbraw/zinc/31/05/02/557310502.db2.gz KQYQIPRZJFASPV-UHFFFAOYSA-N 0 0 441.351 2.881 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)NC(=O)NCCC1=CCCCC1 ZINC000014163466 557312089 /nfs/dbraw/zinc/31/20/89/557312089.db2.gz ZWHNSJFQKPBYCP-FQEVSTJZSA-N 0 0 447.507 2.840 50 0 IFAARN O=C(CNC(=O)c1cccc(OC(F)F)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000014168691 557313184 /nfs/dbraw/zinc/31/31/84/557313184.db2.gz PDSGJVMUHYYCCX-UHFFFAOYSA-N 0 0 444.438 2.525 50 0 IFAARN CC(=O)N(c1nc(COC(=O)CCCN2C(=O)CNC2=O)cs1)c1ccc(C)c(C)c1 ZINC000014196756 557315203 /nfs/dbraw/zinc/31/52/03/557315203.db2.gz DUMDFTLXEGKQDK-UHFFFAOYSA-N 0 0 444.513 2.820 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000102245926 557315419 /nfs/dbraw/zinc/31/54/19/557315419.db2.gz NMVZARHTEHXYOL-HDICACEKSA-N 0 0 449.573 2.529 50 0 IFAARN CNC(=O)[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc2O1 ZINC000032772540 557315607 /nfs/dbraw/zinc/31/56/07/557315607.db2.gz GDTDJMBHYTVDPF-HXUWFJFHSA-N 0 0 441.915 2.732 50 0 IFAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)O[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000032777604 557315821 /nfs/dbraw/zinc/31/58/21/557315821.db2.gz ZJYZOUZYDDTQEK-NRFANRHFSA-N 0 0 439.443 2.952 50 0 IFAARN CC(C)[C@@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O ZINC000032947208 557317741 /nfs/dbraw/zinc/31/77/41/557317741.db2.gz RCZKUKOBUCVMPP-NWDGAFQWSA-N 0 0 442.379 2.793 50 0 IFAARN C[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccccc1Cl ZINC000032946810 557317760 /nfs/dbraw/zinc/31/77/60/557317760.db2.gz DAWLHVWIXRCITH-NSHDSACASA-N 0 0 438.962 2.844 50 0 IFAARN O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1ccccc1SC(F)F ZINC000032882816 557317795 /nfs/dbraw/zinc/31/77/95/557317795.db2.gz CTIBIGZQGAJTGI-UHFFFAOYSA-N 0 0 425.438 2.992 50 0 IFAARN O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1cccc(Br)c1 ZINC000023805508 557318464 /nfs/dbraw/zinc/31/84/64/557318464.db2.gz NCIFHZKIOCUJFW-UHFFFAOYSA-N 0 0 425.348 2.760 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000014266590 557331788 /nfs/dbraw/zinc/33/17/88/557331788.db2.gz UYYLIQHFLKKEJE-UHFFFAOYSA-N 0 0 428.514 2.602 50 0 IFAARN O=C1S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1CN1CCOCC1 ZINC000033394430 557334446 /nfs/dbraw/zinc/33/44/46/557334446.db2.gz KELVSNIHTVIQCT-NSIKDUERSA-N 0 0 427.276 2.504 50 0 IFAARN COc1cc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)ccc1-n1nc(C)cc1C ZINC000257174464 557339108 /nfs/dbraw/zinc/33/91/08/557339108.db2.gz HFGQISKQALRHBT-SFHVURJKSA-N 0 0 433.468 2.577 50 0 IFAARN Cn1ncc2c1ncnc2SCC(=O)Nc1cccc(I)c1 ZINC000011677490 557350986 /nfs/dbraw/zinc/35/09/86/557350986.db2.gz OLHKCVLZOHQZKD-UHFFFAOYSA-N 0 0 425.255 2.699 50 0 IFAARN O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220672752 557364147 /nfs/dbraw/zinc/36/41/47/557364147.db2.gz SEOKDRUMEFFCAI-HNNXBMFYSA-N 0 0 433.447 2.946 50 0 IFAARN O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220672813 557364278 /nfs/dbraw/zinc/36/42/78/557364278.db2.gz SEOKDRUMEFFCAI-OAHLLOKOSA-N 0 0 433.447 2.946 50 0 IFAARN O=C(c1cccc2c1OCCO2)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000225545115 557365896 /nfs/dbraw/zinc/36/58/96/557365896.db2.gz DCQKMIYGMQWKNU-UHFFFAOYSA-N 0 0 438.459 2.566 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1ncnc2c1cnn2C ZINC000011682334 557366245 /nfs/dbraw/zinc/36/62/45/557366245.db2.gz UQNVUQIBJWPGJS-UHFFFAOYSA-N 0 0 438.435 2.571 50 0 IFAARN O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220839207 557368225 /nfs/dbraw/zinc/36/82/25/557368225.db2.gz UFVNRAQOBQRDGG-SFHVURJKSA-N 0 0 429.484 2.866 50 0 IFAARN Cc1ccc(-n2nnnc2SCC(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)c(C)c1 ZINC000011689930 557368576 /nfs/dbraw/zinc/36/85/76/557368576.db2.gz HBQNBSREZPUVCH-UHFFFAOYSA-N 0 0 434.525 2.871 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(C/C=C\c2ccccc2)c(=O)n3C)n1-c1ccc(O)cc1 ZINC000102718623 557375213 /nfs/dbraw/zinc/37/52/13/557375213.db2.gz UOAGJTZSOYSRRL-TWGQIWQCSA-N 0 0 427.464 2.866 50 0 IFAARN CCCn1c2nnc(-c3ccc(COc4ccccc4)cc3)n2c2c1c(=O)[nH]c(=O)n2C ZINC000023834255 557376244 /nfs/dbraw/zinc/37/62/44/557376244.db2.gz NCAHGEVHCUEFBE-UHFFFAOYSA-N 0 0 430.468 2.727 50 0 IFAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000023876723 557377471 /nfs/dbraw/zinc/37/74/71/557377471.db2.gz YCOOFMDCSNMZKJ-UHFFFAOYSA-N 0 0 431.558 2.647 50 0 IFAARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(I)c1 ZINC000102804057 557385893 /nfs/dbraw/zinc/38/58/93/557385893.db2.gz VCWRXYGZYQWZOW-KBPBESRZSA-N 0 0 426.254 2.795 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1cccc(OCc2ccccc2Cl)c1 ZINC000011692397 557388105 /nfs/dbraw/zinc/38/81/05/557388105.db2.gz GWYFANKFPJHJRT-UHFFFAOYSA-N 0 0 437.887 2.818 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCNC(=O)[C@@H](C)Oc3ccccc3F)n2)cc1OC ZINC000011694468 557392473 /nfs/dbraw/zinc/39/24/73/557392473.db2.gz RGGZAGAFKGFPKH-OAHLLOKOSA-N 0 0 441.459 2.650 50 0 IFAARN Cc1cc(S(=O)(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)ccc1F ZINC000011694561 557392605 /nfs/dbraw/zinc/39/26/05/557392605.db2.gz TVCVQYAAAYCQKE-UHFFFAOYSA-N 0 0 445.451 2.735 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)c(OC)c1 ZINC000102818735 557393420 /nfs/dbraw/zinc/39/34/20/557393420.db2.gz UPXKLTKGDSBJDF-KBPBESRZSA-N 0 0 429.498 2.941 50 0 IFAARN COc1cc(NC(=O)NCCNc2ccc(Nc3ccccn3)nn2)cc(OC)c1OC ZINC000011697415 557395120 /nfs/dbraw/zinc/39/51/20/557395120.db2.gz CFKRVXBXHFXZPC-UHFFFAOYSA-N 0 0 439.476 2.875 50 0 IFAARN COc1ccc2c(ccn2CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000072402459 557395348 /nfs/dbraw/zinc/39/53/48/557395348.db2.gz YCDFIPIENICCJF-LJQANCHMSA-N 0 0 441.553 2.867 50 0 IFAARN O=C(NCCCn1ccnc1)c1nnsc1NC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000033436072 557397634 /nfs/dbraw/zinc/39/76/34/557397634.db2.gz YOIIROVFZBWRJQ-INIZCTEOSA-N 0 0 440.533 2.709 50 0 IFAARN CCn1c(CC(=O)Nc2nccs2)nnc1SCC(=O)Nc1ccc(F)cc1F ZINC000013956110 557397895 /nfs/dbraw/zinc/39/78/95/557397895.db2.gz QTWZLKMYQCJNSQ-UHFFFAOYSA-N 0 0 438.485 2.945 50 0 IFAARN Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1c(F)cccc1F ZINC000013956569 557398604 /nfs/dbraw/zinc/39/86/04/557398604.db2.gz HBZYZZPTXIWWEP-UHFFFAOYSA-N 0 0 449.458 2.936 50 0 IFAARN COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000033489372 557401791 /nfs/dbraw/zinc/40/17/91/557401791.db2.gz QXSFCHGVJZXZQX-GOSISDBHSA-N 0 0 431.539 2.795 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000033487595 557401938 /nfs/dbraw/zinc/40/19/38/557401938.db2.gz BAXNPHCJDDZYGS-HSZRJFAPSA-N 0 0 441.597 2.883 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000033581504 557414232 /nfs/dbraw/zinc/41/42/32/557414232.db2.gz DRFNEKPZPRHYPF-DMVFFGLYSA-N 0 0 440.546 2.868 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000033618011 557422185 /nfs/dbraw/zinc/42/21/85/557422185.db2.gz JQEXLLQFUPNJGI-UHFFFAOYSA-N 0 0 431.514 2.710 50 0 IFAARN COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCN(c3ccccc3O)CC2)C1=O ZINC000103292396 557433444 /nfs/dbraw/zinc/43/34/44/557433444.db2.gz YVCUIKLKMQZYIQ-GOSISDBHSA-N 0 0 429.904 2.817 50 0 IFAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)N3CCN(C)CC3)=CSC2=N1 ZINC000103296997 557433839 /nfs/dbraw/zinc/43/38/39/557433839.db2.gz VGOBPUPRQQPPBR-NRFANRHFSA-N 0 0 440.569 2.989 50 0 IFAARN CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)C1 ZINC000103712424 557440614 /nfs/dbraw/zinc/44/06/14/557440614.db2.gz XUVDRLNSIDTRLT-LZLYRXPVSA-N 0 0 447.601 2.690 50 0 IFAARN CC(C)[C@@H](Sc1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccco1)C(=O)NC(N)=O ZINC000104092103 557449967 /nfs/dbraw/zinc/44/99/67/557449967.db2.gz JJYZZVBOMDNFOP-IJEWVQPXSA-N 0 0 434.566 2.713 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)c1ccccc1Cl ZINC000104198332 557453165 /nfs/dbraw/zinc/45/31/65/557453165.db2.gz ACLCBKDMLFZOMZ-GUDVDZBRSA-N 0 0 435.012 2.639 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccccc1F)n2C ZINC000014789615 557455769 /nfs/dbraw/zinc/45/57/69/557455769.db2.gz BBRUWSVVPUUPDG-UHFFFAOYSA-N 0 0 446.548 2.992 50 0 IFAARN CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2nc3ccccc3nc21 ZINC000014814762 557458383 /nfs/dbraw/zinc/45/83/83/557458383.db2.gz QEZFKDQDFYBGDZ-UHFFFAOYSA-N 0 0 437.525 2.511 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)c(OC)c1 ZINC000085690415 557458972 /nfs/dbraw/zinc/45/89/72/557458972.db2.gz ZQZXOUKBJSHBEZ-INIZCTEOSA-N 0 0 435.484 2.980 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCN(CC(=O)Nc4ccc(C)cc4)CC3)[nH]n2)cc1 ZINC000051315760 557463816 /nfs/dbraw/zinc/46/38/16/557463816.db2.gz OFSNKKYTXWTLLW-UHFFFAOYSA-N 0 0 433.512 2.790 50 0 IFAARN COC(=O)C1C(CN2CCN(c3ccc(C)cc3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318442 557469723 /nfs/dbraw/zinc/46/97/23/557469723.db2.gz YKBPTKBATPJGHS-QHCPKHFHSA-N 0 0 434.540 2.907 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)s3)CC2)cc1 ZINC000017050558 557476401 /nfs/dbraw/zinc/47/64/01/557476401.db2.gz GTGBTZQUSJJBHL-UHFFFAOYSA-N 0 0 429.361 2.966 50 0 IFAARN CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000018254749 557497243 /nfs/dbraw/zinc/49/72/43/557497243.db2.gz RAFGDIMFLQLNQK-UHFFFAOYSA-N 0 0 438.488 2.896 50 0 IFAARN CC[C@@H]1CCc2sc(-c3nnc(SCc4cc(=O)n5nc(N)[nH]c5n4)n3C)cc2C1 ZINC000105432634 557498627 /nfs/dbraw/zinc/49/86/27/557498627.db2.gz PTNZPHPMFJQCCU-SNVBAGLBSA-N 0 0 442.574 2.664 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCN(c2ccccc2O)CC1 ZINC000105840643 557511637 /nfs/dbraw/zinc/51/16/37/557511637.db2.gz IDLLWVRUUWJIQY-OAHLLOKOSA-N 0 0 444.329 2.856 50 0 IFAARN O=C(NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000046781914 557512715 /nfs/dbraw/zinc/51/27/15/557512715.db2.gz XKZFDWKDGXVGDA-LJQANCHMSA-N 0 0 448.541 2.942 50 0 IFAARN CC[C@H](C)NC(=O)Cn1nc(SC)c(-c2nc(-c3ccc(OC)c(OC)c3)no2)c1N ZINC000046915340 557514236 /nfs/dbraw/zinc/51/42/36/557514236.db2.gz WZJPMHMYDBJPKN-NSHDSACASA-N 0 0 446.533 2.836 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc2c(c1)OCCO2 ZINC000110539592 557514485 /nfs/dbraw/zinc/51/44/85/557514485.db2.gz FYBNOXKYJXCUMG-WBPRFABPSA-N 0 0 429.517 2.772 50 0 IFAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012030666 557523965 /nfs/dbraw/zinc/52/39/65/557523965.db2.gz VDDQFQVHEAVDQI-INIZCTEOSA-N 0 0 447.456 2.919 50 0 IFAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012030575 557523968 /nfs/dbraw/zinc/52/39/68/557523968.db2.gz LMBLHNNRNNKNEN-AWEZNQCLSA-N 0 0 431.894 2.692 50 0 IFAARN CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000012030626 557523986 /nfs/dbraw/zinc/52/39/86/557523986.db2.gz INZLYCYPAKMTCL-LJQANCHMSA-N 0 0 437.539 2.687 50 0 IFAARN C[C@@]1(C2CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccncc2)C1=O ZINC000012184510 557528524 /nfs/dbraw/zinc/52/85/24/557528524.db2.gz ZWDLXNRPLAJSIU-QHCPKHFHSA-N 0 0 442.466 2.652 50 0 IFAARN Cc1ccc2c(c1)c(=O)n(-c1ccccc1F)c(=O)n2[C@H](C)C(=O)NCc1cccnc1 ZINC000106513757 557529633 /nfs/dbraw/zinc/52/96/33/557529633.db2.gz GBFVVLXKDZTOJF-MRXNPFEDSA-N 0 0 432.455 2.872 50 0 IFAARN O=c1n(CCNS(=O)(=O)c2ccccc2C(F)(F)F)nc(-c2ccco2)n1C1CC1 ZINC000211076155 557533261 /nfs/dbraw/zinc/53/32/61/557533261.db2.gz PXGPRZXLSMKAHC-UHFFFAOYSA-N 0 0 442.419 2.637 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000211106407 557534289 /nfs/dbraw/zinc/53/42/89/557534289.db2.gz HCEDUKYXKHKBPE-IBGZPJMESA-N 0 0 425.503 2.655 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)NC(C)(C)C)C1 ZINC000045913296 557547352 /nfs/dbraw/zinc/54/73/52/557547352.db2.gz VKCUDCCGAWMABS-HNNXBMFYSA-N 0 0 435.590 2.646 50 0 IFAARN CC[C@@H](C)NC(=O)CN1c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2C(C)(C)C1=O ZINC000045913287 557547364 /nfs/dbraw/zinc/54/73/64/557547364.db2.gz FDSIVJPXFQMOPH-JKSUJKDBSA-N 0 0 435.590 2.646 50 0 IFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)N4CCCC4)cs3)CC2)cc1 ZINC000045961563 557555389 /nfs/dbraw/zinc/55/53/89/557555389.db2.gz BPKONPPUELPTHX-UHFFFAOYSA-N 0 0 447.582 2.698 50 0 IFAARN O=c1c2nnn(Cc3cccc(Cl)c3)c2ncn1Cc1nc(-c2cccs2)no1 ZINC000045970973 557558398 /nfs/dbraw/zinc/55/83/98/557558398.db2.gz XJWBUZAAVCPIPA-UHFFFAOYSA-N 0 0 425.861 2.850 50 0 IFAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000038855678 557609082 /nfs/dbraw/zinc/60/90/82/557609082.db2.gz NYMZKFFEFDGROB-FOIQADDNSA-N 0 0 445.541 2.771 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)C1=O ZINC000040040053 557677147 /nfs/dbraw/zinc/67/71/47/557677147.db2.gz QTSCVFDTWAHSSR-RUZDIDTESA-N 0 0 449.507 2.671 50 0 IFAARN C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000040117691 557695844 /nfs/dbraw/zinc/69/58/44/557695844.db2.gz GTWMSSJOHGPUIS-CXAGYDPISA-N 0 0 427.432 2.679 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000040120051 557696511 /nfs/dbraw/zinc/69/65/11/557696511.db2.gz YRQOHYOZADKXLU-HOTGVXAUSA-N 0 0 426.435 2.856 50 0 IFAARN CCN(Cc1csc(-c2ncccn2)n1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000040153438 557704788 /nfs/dbraw/zinc/70/47/88/557704788.db2.gz UQFYGDPVLSVNLM-UHFFFAOYSA-N 0 0 438.513 2.876 50 0 IFAARN C[C@H]1CN(Cc2ccccn2)CCN1C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000225384562 557717002 /nfs/dbraw/zinc/71/70/02/557717002.db2.gz ROKYRQWCOLNOME-SFHVURJKSA-N 0 0 442.585 2.649 50 0 IFAARN O=C(COC[C@H]1CCCO1)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000225444960 557723531 /nfs/dbraw/zinc/72/35/31/557723531.db2.gz GUUDAYOWHOQDLL-RISCZKNCSA-N 0 0 426.229 2.813 50 0 IFAARN O=c1ccc2ccc(OS(=O)(=O)c3ccccc3S(=O)(=O)C(F)(F)F)cc2o1 ZINC000225549063 557740642 /nfs/dbraw/zinc/74/06/42/557740642.db2.gz KGBBDSSZAGNDCS-UHFFFAOYSA-N 0 0 434.369 2.854 50 0 IFAARN COc1cccc(C[C@H](C(=O)Nc2ccc(N3CCOCC3)c(C)c2)n2nnnc2C)c1 ZINC000225573608 557745074 /nfs/dbraw/zinc/74/50/74/557745074.db2.gz BIWRZTMPTOOQMU-JOCHJYFZSA-N 0 0 436.516 2.558 50 0 IFAARN CC(C)(C)[C@@H](CNC(=O)Cc1ccc2c(c1)OCO2)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000225623874 557753524 /nfs/dbraw/zinc/75/35/24/557753524.db2.gz JXRNISPKOJKJFC-OAQYLSRUSA-N 0 0 440.496 2.576 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)[C@@H]3CCCN(C(=O)c4ccncc4)C3)ccc21 ZINC000225664718 557759331 /nfs/dbraw/zinc/75/93/31/557759331.db2.gz VQUWWBWABJUYEL-HRAATJIYSA-N 0 0 449.507 2.657 50 0 IFAARN CCOC(=O)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1c(C)nn(-c2ccccc2)c1C ZINC000225668234 557759866 /nfs/dbraw/zinc/75/98/66/557759866.db2.gz FTVYTCPPWLJDCC-WMZOPIPTSA-N 0 0 438.450 2.846 50 0 IFAARN COC(=O)c1ccc(O)c(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)c1 ZINC000225737616 557770792 /nfs/dbraw/zinc/77/07/92/557770792.db2.gz UPONFFZVTREIQN-UHFFFAOYSA-N 0 0 444.465 2.811 50 0 IFAARN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CNC(=O)c1ccco1 ZINC000225737900 557770903 /nfs/dbraw/zinc/77/09/03/557770903.db2.gz WWFSOJCXGXUIDZ-KRWDZBQOSA-N 0 0 443.500 2.839 50 0 IFAARN COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000225795308 557778463 /nfs/dbraw/zinc/77/84/63/557778463.db2.gz SHWPKJQFDLRMQL-UHFFFAOYSA-N 0 0 448.541 2.967 50 0 IFAARN CCn1c(C)cc(O)c([C@@H](c2ccc3c(c2)OCO3)c2c(O)cc(=O)n(CC)c2C)c1=O ZINC000040568628 557786461 /nfs/dbraw/zinc/78/64/61/557786461.db2.gz PHPOLOHHDILWDQ-QFIPXVFZSA-N 0 0 438.480 2.987 50 0 IFAARN CCOc1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCOCC2)cc1OC ZINC000024986938 557828930 /nfs/dbraw/zinc/82/89/30/557828930.db2.gz ZNASOMHLEZVDEM-GOSISDBHSA-N 0 0 428.485 2.626 50 0 IFAARN CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)C2(c4ccccc4)CC2)CCO3)CC1 ZINC000014991336 557836073 /nfs/dbraw/zinc/83/60/73/557836073.db2.gz RLJHCKBYZUXLHB-UHFFFAOYSA-N 0 0 433.552 2.804 50 0 IFAARN COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)[C@@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000245240796 557849897 /nfs/dbraw/zinc/84/98/97/557849897.db2.gz SYHUKNSTHJICMX-UDMAVECTSA-N 0 0 438.605 2.508 50 0 IFAARN CSCC[C@@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1C)N1C(=O)c2ccccc2C1=O ZINC000018700610 557854769 /nfs/dbraw/zinc/85/47/69/557854769.db2.gz PMRJKRIVMZNWBU-SFHVURJKSA-N 0 0 446.550 2.755 50 0 IFAARN O=C(CN1CCC(C(=O)N2CCCC2)CC1)Nc1cccc(I)c1 ZINC000025054145 557857293 /nfs/dbraw/zinc/85/72/93/557857293.db2.gz VBESKEKGCKYPKX-UHFFFAOYSA-N 0 0 441.313 2.564 50 0 IFAARN O=C(c1cc2ccccc2oc1=O)N1CCCN(C(=O)c2cc3ccccc3oc2=O)CC1 ZINC000001001164 562919960 /nfs/dbraw/zinc/91/99/60/562919960.db2.gz HFLGYOOFGXUPKF-UHFFFAOYSA-N 0 0 444.443 2.888 50 0 IFAARN O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Br)cc1 ZINC000001023630 562920029 /nfs/dbraw/zinc/92/00/29/562920029.db2.gz BJWXNJXPBSQTEG-RDJZCZTQSA-N 0 0 448.269 2.809 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1)c1ccccc1 ZINC000001063147 562920254 /nfs/dbraw/zinc/92/02/54/562920254.db2.gz BSQDQECFHQNRHZ-HNNXBMFYSA-N 0 0 438.933 2.617 50 0 IFAARN O=C1N[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1c1ccccc1 ZINC000002492467 562928189 /nfs/dbraw/zinc/92/81/89/562928189.db2.gz IHZVONMKXZMFKW-OAHLLOKOSA-N 0 0 433.795 2.838 50 0 IFAARN CC(=O)Oc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000002620433 562928455 /nfs/dbraw/zinc/92/84/55/562928455.db2.gz BZEWVJIJWCGGFA-UHFFFAOYSA-N 0 0 438.505 2.912 50 0 IFAARN COC[C@H](C)n1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc2c1=O ZINC000002620125 562928485 /nfs/dbraw/zinc/92/84/85/562928485.db2.gz VUYWNIDPTKLZNU-HNNXBMFYSA-N 0 0 440.525 2.722 50 0 IFAARN Cc1ccc(Nc2nnc(SCC(=O)NCCN3C(=O)CSC3=O)s2)cc1C ZINC000002627591 562928787 /nfs/dbraw/zinc/92/87/87/562928787.db2.gz HWGCUTSWCUNIKW-UHFFFAOYSA-N 0 0 437.572 2.802 50 0 IFAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2=O)cc1 ZINC000002630812 562928803 /nfs/dbraw/zinc/92/88/03/562928803.db2.gz JOKZKVJPNLWUQG-KRWDZBQOSA-N 0 0 434.496 2.875 50 0 IFAARN O=C(c1cncc(Br)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002646562 562929179 /nfs/dbraw/zinc/92/91/79/562929179.db2.gz CEUYIGKOJMRSOK-UHFFFAOYSA-N 0 0 444.738 2.644 50 0 IFAARN Cc1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)no1 ZINC000002653217 562929383 /nfs/dbraw/zinc/92/93/83/562929383.db2.gz QRHVSDMUQGFLBI-UHFFFAOYSA-N 0 0 429.454 2.888 50 0 IFAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2NC(=O)c2ccccc2)no1 ZINC000002925522 562930624 /nfs/dbraw/zinc/93/06/24/562930624.db2.gz BGIDIBOHBNAOCL-UHFFFAOYSA-N 0 0 441.494 2.869 50 0 IFAARN COc1ccc(-c2nc(CSCC(=O)N3CCC(C(N)=O)CC3)c(C)o2)cc1OC ZINC000003063526 562932460 /nfs/dbraw/zinc/93/24/60/562932460.db2.gz NLUHJUSZCANCPB-UHFFFAOYSA-N 0 0 433.530 2.624 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1 ZINC000003225455 562933058 /nfs/dbraw/zinc/93/30/58/562933058.db2.gz CKIOQIXNKLNHDA-UHFFFAOYSA-N 0 0 437.525 2.548 50 0 IFAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3COc4ccccc4O3)C2=O)cc1 ZINC000003279070 562933594 /nfs/dbraw/zinc/93/35/94/562933594.db2.gz JLXJZVIFHCHJSG-LPGQDOADSA-N 0 0 440.477 2.688 50 0 IFAARN Cc1cc(Br)c(NC(=O)COC(=O)c2ccc[n+]([O-])c2)c(Br)c1 ZINC000003317751 562934148 /nfs/dbraw/zinc/93/41/48/562934148.db2.gz IRAMVDXMYJAXKB-UHFFFAOYSA-N 0 0 444.079 2.949 50 0 IFAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3cccs3)n2N)c1 ZINC000003341281 562934436 /nfs/dbraw/zinc/93/44/36/562934436.db2.gz OZZMRFINNVDYDS-UHFFFAOYSA-N 0 0 443.963 2.508 50 0 IFAARN COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000003409676 562935303 /nfs/dbraw/zinc/93/53/03/562935303.db2.gz VZBSWSPUZNOIAA-UHFFFAOYSA-N 0 0 432.498 2.506 50 0 IFAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O ZINC000003427696 562935679 /nfs/dbraw/zinc/93/56/79/562935679.db2.gz KDWRNWLWKSCUQA-UHFFFAOYSA-N 0 0 444.491 2.765 50 0 IFAARN COc1ccccc1NC(=O)Cc1noc(CSc2nnc(C(F)(F)F)n2C)n1 ZINC000003428790 562935690 /nfs/dbraw/zinc/93/56/90/562935690.db2.gz SPVXQFACQWWWOF-UHFFFAOYSA-N 0 0 428.396 2.699 50 0 IFAARN Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000003430551 562935693 /nfs/dbraw/zinc/93/56/93/562935693.db2.gz ZTESTGCKMDSHDZ-UHFFFAOYSA-N 0 0 442.493 2.540 50 0 IFAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)Nc1ccccc1 ZINC000003430571 562935730 /nfs/dbraw/zinc/93/57/30/562935730.db2.gz YMJPVJDQFNRTBY-HNNXBMFYSA-N 0 0 428.466 2.942 50 0 IFAARN CSc1nn(-c2ccc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc2)c(=S)s1 ZINC000003441667 562935919 /nfs/dbraw/zinc/93/59/19/562935919.db2.gz KOZIEZFIGHRRBR-NSHDSACASA-N 0 0 426.545 2.761 50 0 IFAARN CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(=O)Nc1ccc2ccccc2c1 ZINC000003448270 562935983 /nfs/dbraw/zinc/93/59/83/562935983.db2.gz WMLCTGLPPRZKEU-NRFANRHFSA-N 0 0 438.505 2.708 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000003569785 562936533 /nfs/dbraw/zinc/93/65/33/562936533.db2.gz QMGAHUZCBCPHOO-UHFFFAOYSA-N 0 0 441.509 2.743 50 0 IFAARN CCOc1ccccc1N(C)C(=O)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000003959160 562940029 /nfs/dbraw/zinc/94/00/29/562940029.db2.gz IZBJFZUWQCBSKY-UHFFFAOYSA-N 0 0 444.513 2.685 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O ZINC000003960117 562940109 /nfs/dbraw/zinc/94/01/09/562940109.db2.gz QACLMRDCNPWGNR-BEFAXECRSA-N 0 0 431.558 2.632 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccco3)c2)cc1 ZINC000004001724 562940544 /nfs/dbraw/zinc/94/05/44/562940544.db2.gz JBDSUQUPGGSFHW-UHFFFAOYSA-N 0 0 428.466 2.862 50 0 IFAARN CC[C@](C)(C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)CNC(=O)c1ccccc1 ZINC000004115440 562942136 /nfs/dbraw/zinc/94/21/36/562942136.db2.gz IUCHXVAMUWGYHD-GBXCKJPGSA-N 0 0 429.561 2.652 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc3c2C(=O)N(CCOC)C3)cc1 ZINC000004143016 562942226 /nfs/dbraw/zinc/94/22/26/562942226.db2.gz MCJNDWGDTMWYTR-UHFFFAOYSA-N 0 0 445.541 2.572 50 0 IFAARN Cc1cc(C(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)n1C[C@H]1CCCO1 ZINC000006156111 562946295 /nfs/dbraw/zinc/94/62/95/562946295.db2.gz FATODYWLQRIVST-GOSISDBHSA-N 0 0 434.514 2.695 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCc1ccc(Cl)cc1)n2C ZINC000006153255 562946313 /nfs/dbraw/zinc/94/63/13/562946313.db2.gz BFIZYGFKRXLODD-UHFFFAOYSA-N 0 0 448.976 2.769 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C=Cc3ccc4ccccc4n3)CC2)cc1 ZINC000006143057 562946324 /nfs/dbraw/zinc/94/63/24/562946324.db2.gz QZOSMYUESUBGRT-JLHYYAGUSA-N 0 0 449.532 2.984 50 0 IFAARN O=C(CSc1n[nH]c(-c2ccccc2Br)n1)NC(=O)NCc1ccco1 ZINC000006498551 562946898 /nfs/dbraw/zinc/94/68/98/562946898.db2.gz USVAODRFSFPDHD-UHFFFAOYSA-N 0 0 436.291 2.945 50 0 IFAARN C[C@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)C1 ZINC000006531115 562947165 /nfs/dbraw/zinc/94/71/65/562947165.db2.gz OQKHKCJTLDMZKT-ZDUSSCGKSA-N 0 0 440.529 2.593 50 0 IFAARN COc1ccc(C2=NO[C@@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1OC ZINC000006577637 562947728 /nfs/dbraw/zinc/94/77/28/562947728.db2.gz JDTKWGLGXUWTFV-HXUWFJFHSA-N 0 0 436.468 2.633 50 0 IFAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccccc3OC)c(C)o2)c1 ZINC000006578125 562948005 /nfs/dbraw/zinc/94/80/05/562948005.db2.gz LFVCBJWVDBDXMU-UHFFFAOYSA-N 0 0 444.509 2.898 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)C1 ZINC000006941879 562948632 /nfs/dbraw/zinc/94/86/32/562948632.db2.gz WALVRSGRPJYAPS-NUJGCVRESA-N 0 0 427.998 2.891 50 0 IFAARN CCN1CCN(C(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2Cl)CC1 ZINC000008315690 562949150 /nfs/dbraw/zinc/94/91/50/562949150.db2.gz FVXFWTLQBCZYEH-HZPDHXFCSA-N 0 0 427.998 2.784 50 0 IFAARN COC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)cn2C)cc1 ZINC000008588345 562950687 /nfs/dbraw/zinc/95/06/87/562950687.db2.gz GKGNRAJRZOKCAF-UHFFFAOYSA-N 0 0 439.493 2.815 50 0 IFAARN CCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)CC1 ZINC000008589551 562951283 /nfs/dbraw/zinc/95/12/83/562951283.db2.gz LBJXSRQBQRZKDH-FAEJEUNOSA-N 0 0 435.590 2.595 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000008594035 562952904 /nfs/dbraw/zinc/95/29/04/562952904.db2.gz DHVWLMZPSJFCHA-UHFFFAOYSA-N 0 0 447.332 2.556 50 0 IFAARN COc1cccc(CNC(=O)CCn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c1 ZINC000008593980 562952934 /nfs/dbraw/zinc/95/29/34/562952934.db2.gz OWKXJSFTFGCKOY-UHFFFAOYSA-N 0 0 431.496 2.914 50 0 IFAARN CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nonc43)C2)cc1 ZINC000008594139 562953005 /nfs/dbraw/zinc/95/30/05/562953005.db2.gz RDINMRVAWAJCKR-AWEZNQCLSA-N 0 0 430.486 2.661 50 0 IFAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2N)cc1Cl ZINC000008595699 562953609 /nfs/dbraw/zinc/95/36/09/562953609.db2.gz XBOYTMGGJAPCTL-UHFFFAOYSA-N 0 0 432.843 2.861 50 0 IFAARN CCc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000008600913 562955194 /nfs/dbraw/zinc/95/51/94/562955194.db2.gz HHKXMKKPUZJOCT-UHFFFAOYSA-N 0 0 441.553 2.855 50 0 IFAARN Cc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000008601545 562955438 /nfs/dbraw/zinc/95/54/38/562955438.db2.gz GWRWVLUKJYAMOE-HXUWFJFHSA-N 0 0 426.494 2.536 50 0 IFAARN CCOc1ccc(CCNC(=O)c2cnc3sc(N4CCCCC4)nn3c2=O)cc1 ZINC000008602968 562955870 /nfs/dbraw/zinc/95/58/70/562955870.db2.gz HURCGZJKEKVOSN-UHFFFAOYSA-N 0 0 427.530 2.513 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000008602722 562955889 /nfs/dbraw/zinc/95/58/89/562955889.db2.gz ZOXRVKDWEYGIIS-MRXNPFEDSA-N 0 0 448.545 2.551 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2C)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000008603496 562956034 /nfs/dbraw/zinc/95/60/34/562956034.db2.gz LLDKWZBKWZISAI-FQEVSTJZSA-N 0 0 428.510 2.867 50 0 IFAARN COc1ccc(-n2c(=O)c3sc4ccccc4c3n(CC(=O)N3CCCC3)c2=O)cc1 ZINC000008603944 562956263 /nfs/dbraw/zinc/95/62/63/562956263.db2.gz YVDXFQJZBHXLJM-UHFFFAOYSA-N 0 0 435.505 2.998 50 0 IFAARN CCc1cc2c(cc3c(=O)n(CC(=O)NCCc4ccc(OC)c(OC)c4)ncn23)s1 ZINC000008605090 562956559 /nfs/dbraw/zinc/95/65/59/562956559.db2.gz ZIVUMYLKZJDCPY-UHFFFAOYSA-N 0 0 440.525 2.649 50 0 IFAARN COc1cccc(CNC(=O)CSC2=Nc3ccccc3C3=N[C@H](C)C(=O)N32)c1OC ZINC000008609136 562957625 /nfs/dbraw/zinc/95/76/25/562957625.db2.gz ZXQRKBHQMVGCPR-CYBMUJFWSA-N 0 0 438.509 2.732 50 0 IFAARN COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)c1 ZINC000008609538 562957846 /nfs/dbraw/zinc/95/78/46/562957846.db2.gz WGCITFPXCFINMP-LJQANCHMSA-N 0 0 441.553 2.904 50 0 IFAARN CCOc1ccc(CCNC(=O)Cn2nc(C)n3c4ccoc4cc3c2=O)cc1OCC ZINC000008611048 562958388 /nfs/dbraw/zinc/95/83/88/562958388.db2.gz MGEGSEGUMIMQHI-UHFFFAOYSA-N 0 0 438.484 2.707 50 0 IFAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1nc(S(C)(=O)=O)ncc1Cl ZINC000008611907 562958761 /nfs/dbraw/zinc/95/87/61/562958761.db2.gz DTQGWPNMKGVHBA-UHFFFAOYSA-N 0 0 445.906 2.535 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCC3CCC(C(=O)NC(C)(C)C)CC3)cc2C[C@H]1C ZINC000008619031 562959801 /nfs/dbraw/zinc/95/98/01/562959801.db2.gz SIHYGGDOJGRZBW-FAEJEUNOSA-N 0 0 449.617 2.984 50 0 IFAARN CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 ZINC000008619373 562959898 /nfs/dbraw/zinc/95/98/98/562959898.db2.gz PBOQKEZUYZKFCA-UHFFFAOYSA-N 0 0 442.415 2.907 50 0 IFAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1Cl ZINC000008671373 562960856 /nfs/dbraw/zinc/96/08/56/562960856.db2.gz SGFDWPIUXCOFEU-UHFFFAOYSA-N 0 0 427.910 2.993 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000008680544 562961563 /nfs/dbraw/zinc/96/15/63/562961563.db2.gz UINJXNFCWCSNFR-UHFFFAOYSA-N 0 0 442.541 2.557 50 0 IFAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000008734664 562963812 /nfs/dbraw/zinc/96/38/12/562963812.db2.gz DDLBKBMVMRXEPM-UHFFFAOYSA-N 0 0 438.358 2.972 50 0 IFAARN COc1ccc2c(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)coc2c1 ZINC000008774599 562964043 /nfs/dbraw/zinc/96/40/43/562964043.db2.gz VKNVOGBMAVWVOZ-UHFFFAOYSA-N 0 0 430.482 2.644 50 0 IFAARN CCC[C@@H](C)NC(=O)Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O ZINC000008826066 562964513 /nfs/dbraw/zinc/96/45/13/562964513.db2.gz SVUJLOGOSIZVQI-GOSISDBHSA-N 0 0 439.560 2.759 50 0 IFAARN Cc1c(OCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)ccc2c3c(c(=O)oc12)CCC3 ZINC000008877193 562965597 /nfs/dbraw/zinc/96/55/97/562965597.db2.gz GGWOXEJWUSLBED-SJORKVTESA-N 0 0 446.503 2.777 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)cc1OC ZINC000009117016 562967324 /nfs/dbraw/zinc/96/73/24/562967324.db2.gz FOEVGRFYZVYCOB-OAHLLOKOSA-N 0 0 444.553 2.912 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000009128799 562967640 /nfs/dbraw/zinc/96/76/40/562967640.db2.gz GOAWHZUXOLKFSG-GOSISDBHSA-N 0 0 440.496 2.625 50 0 IFAARN COc1cc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1 ZINC000009335318 562969390 /nfs/dbraw/zinc/96/93/90/562969390.db2.gz DVYYGZOSLREYPL-UHFFFAOYSA-N 0 0 433.457 2.844 50 0 IFAARN COc1ccccc1-n1c(=O)c2c(nc1SCC(=O)Nc1cc(C)on1)CCS2 ZINC000009369182 562969611 /nfs/dbraw/zinc/96/96/11/562969611.db2.gz MTIYGRRHAKTENR-UHFFFAOYSA-N 0 0 430.511 2.917 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)c(OC)c1 ZINC000009381026 562969711 /nfs/dbraw/zinc/96/97/11/562969711.db2.gz WVSLUMZYFBCEON-UHFFFAOYSA-N 0 0 434.499 2.809 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)cc1 ZINC000009430729 562970633 /nfs/dbraw/zinc/97/06/33/562970633.db2.gz VHOOHCNVWNHBLN-MRXNPFEDSA-N 0 0 441.509 2.576 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccccc1 ZINC000009441906 562971207 /nfs/dbraw/zinc/97/12/07/562971207.db2.gz GJOQJEWCAHXMTP-UHFFFAOYSA-N 0 0 429.542 2.928 50 0 IFAARN CC(C)CN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009465282 562971612 /nfs/dbraw/zinc/97/16/12/562971612.db2.gz ULZNSELRDPFZCU-SFHVURJKSA-N 0 0 448.614 2.909 50 0 IFAARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)c32)C1 ZINC000009493380 562972237 /nfs/dbraw/zinc/97/22/37/562972237.db2.gz KOBDYNZIRHPFFW-RYUDHWBXSA-N 0 0 425.601 2.554 50 0 IFAARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000009507652 562972500 /nfs/dbraw/zinc/97/25/00/562972500.db2.gz ZYOQVMHGSCPOCA-HNNXBMFYSA-N 0 0 449.960 2.751 50 0 IFAARN CC(C)(C)c1ccc(C(=O)NCc2nnc(SCC(=O)NC[C@@H]3CCCO3)o2)cc1 ZINC000009518581 562972825 /nfs/dbraw/zinc/97/28/25/562972825.db2.gz AAWZAAIXKDAXFX-INIZCTEOSA-N 0 0 432.546 2.684 50 0 IFAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccccc1 ZINC000009519615 562972877 /nfs/dbraw/zinc/97/28/77/562972877.db2.gz KPQRKQVOSMCSQC-UHFFFAOYSA-N 0 0 425.510 2.676 50 0 IFAARN COc1ccc(CCNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 ZINC000009518857 562972879 /nfs/dbraw/zinc/97/28/79/562972879.db2.gz ZLYHLNOVGXAXQO-UHFFFAOYSA-N 0 0 433.508 2.814 50 0 IFAARN Cc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)N4CCCCC4)nn32)cc1 ZINC000009578422 562973462 /nfs/dbraw/zinc/97/34/62/562973462.db2.gz XBNPCDCERYVNCW-UHFFFAOYSA-N 0 0 438.557 2.510 50 0 IFAARN NC(=O)N[C@@H](CC(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000009593468 562973790 /nfs/dbraw/zinc/97/37/90/562973790.db2.gz MPRDNSQZXRMNFN-HNNXBMFYSA-N 0 0 443.847 2.671 50 0 IFAARN Cc1cc(C)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C ZINC000009664723 562975045 /nfs/dbraw/zinc/97/50/45/562975045.db2.gz YRAKJOMBTLLAMF-UHFFFAOYSA-N 0 0 431.510 2.672 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)cc2C[C@@H]1C ZINC000009676616 562975330 /nfs/dbraw/zinc/97/53/30/562975330.db2.gz ATVLEAANDAPDLG-HNNXBMFYSA-N 0 0 432.542 2.912 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)cc1 ZINC000009673967 562975354 /nfs/dbraw/zinc/97/53/54/562975354.db2.gz YOXURHJLLLRXLG-UHFFFAOYSA-N 0 0 430.442 2.500 50 0 IFAARN CCCN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000009713483 562975731 /nfs/dbraw/zinc/97/57/31/562975731.db2.gz FDXGZSAXIGHYSJ-QGZVFWFLSA-N 0 0 434.587 2.663 50 0 IFAARN O=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009715296 562976007 /nfs/dbraw/zinc/97/60/07/562976007.db2.gz POAUHMSHYZCMPN-UHFFFAOYSA-N 0 0 442.493 2.985 50 0 IFAARN CCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1=O ZINC000009725506 562976114 /nfs/dbraw/zinc/97/61/14/562976114.db2.gz OJILLOYRFBDUDR-HZPDHXFCSA-N 0 0 433.574 2.735 50 0 IFAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1 ZINC000009744374 562976426 /nfs/dbraw/zinc/97/64/26/562976426.db2.gz SYQJDHPDDSSWCY-GOSISDBHSA-N 0 0 433.505 2.514 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2ccccc2F)cc1 ZINC000009744987 562976441 /nfs/dbraw/zinc/97/64/41/562976441.db2.gz NCANMSNYXKDTRV-QGZVFWFLSA-N 0 0 447.532 2.822 50 0 IFAARN COc1cccc(NC(=O)CCCNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1 ZINC000009775706 562976699 /nfs/dbraw/zinc/97/66/99/562976699.db2.gz RSULGOKORHCGCY-UHFFFAOYSA-N 0 0 428.514 2.619 50 0 IFAARN Cc1ccc(C(=O)N(Cc2ccco2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000009793771 562976918 /nfs/dbraw/zinc/97/69/18/562976918.db2.gz QPTRVMZSIASOCZ-UHFFFAOYSA-N 0 0 430.464 2.916 50 0 IFAARN Cc1cccc(C(=O)N(Cc2ccco2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000009796555 562977020 /nfs/dbraw/zinc/97/70/20/562977020.db2.gz IXXZJUUDBCMEPU-UHFFFAOYSA-N 0 0 430.464 2.916 50 0 IFAARN O=C(CSc1nnc2ccc(-c3ccc(Br)cc3)nn21)NC[C@H]1CCCO1 ZINC000009829122 562977289 /nfs/dbraw/zinc/97/72/89/562977289.db2.gz CNFRIKFASXCWDO-CQSZACIVSA-N 0 0 448.346 2.941 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCSc4ccccc43)CC2)cc1 ZINC000009876588 562977723 /nfs/dbraw/zinc/97/77/23/562977723.db2.gz FTSFLKKWXRPCPZ-UHFFFAOYSA-N 0 0 445.610 2.830 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000009955316 562977910 /nfs/dbraw/zinc/97/79/10/562977910.db2.gz QRKHBFAMMHEZTB-SZMVWBNQSA-N 0 0 449.573 2.528 50 0 IFAARN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cn1 ZINC000009983292 562978244 /nfs/dbraw/zinc/97/82/44/562978244.db2.gz ZKSBMDNRQWLLPO-STQMWFEESA-N 0 0 439.921 2.794 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)COC(=O)/C=C/c1ccccc1 ZINC000010898404 562978709 /nfs/dbraw/zinc/97/87/09/562978709.db2.gz JCDQAUVRLFDNQF-ZHACJKMWSA-N 0 0 430.482 2.788 50 0 IFAARN CN(Cc1ccon1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000011878862 562979770 /nfs/dbraw/zinc/97/97/70/562979770.db2.gz QXNIIQJGNNXIHY-QFIPXVFZSA-N 0 0 434.496 2.816 50 0 IFAARN CCN(CC)C(=O)C[S@](=O)CC(=O)Nc1cc(OCCOC)c(Cl)cc1Cl ZINC000012858673 562983234 /nfs/dbraw/zinc/98/32/34/562983234.db2.gz BWWJKXIATKJVFK-MHZLTWQESA-N 0 0 439.361 2.574 50 0 IFAARN COc1ccc(C(=O)COC(=O)[C@H](CCSC)NC(=O)COc2ccccc2)cc1 ZINC000012872850 562983322 /nfs/dbraw/zinc/98/33/22/562983322.db2.gz DALVWSUFBWTPRE-IBGZPJMESA-N 0 0 431.510 2.738 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000012991633 562983820 /nfs/dbraw/zinc/98/38/20/562983820.db2.gz ONQOWZNCAPNZRE-IBGZPJMESA-N 0 0 432.567 2.983 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000013012615 562984141 /nfs/dbraw/zinc/98/41/41/562984141.db2.gz XIRKELXDLZIZHY-LJQANCHMSA-N 0 0 425.485 2.512 50 0 IFAARN COC(CNC(=O)C[C@@H]1C(=O)N(Cc2ccccc2)[C@H](C)c2nc3ccccc3n21)OC ZINC000013118710 562984632 /nfs/dbraw/zinc/98/46/32/562984632.db2.gz HFPLPEXBLXLDHB-OXQOHEQNSA-N 0 0 436.512 2.806 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)sc2c1 ZINC000013495638 562991005 /nfs/dbraw/zinc/99/10/05/562991005.db2.gz CQBZFCJBURMPGS-NSHDSACASA-N 0 0 433.486 2.831 50 0 IFAARN CN(Cc1cnn(C)c1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000013594081 562996561 /nfs/dbraw/zinc/99/65/61/562996561.db2.gz ABLBAITUASULRY-QHCPKHFHSA-N 0 0 447.539 2.562 50 0 IFAARN O=C1N[C@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1c1cccc(Cl)c1 ZINC000015937055 563019102 /nfs/dbraw/zinc/01/91/02/563019102.db2.gz LXDCMKDGOIGDMH-OAHLLOKOSA-N 0 0 433.795 2.838 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000015941691 563019500 /nfs/dbraw/zinc/01/95/00/563019500.db2.gz RXGPTHVTKKCYJI-UHFFFAOYSA-N 0 0 438.889 2.790 50 0 IFAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000015942848 563019796 /nfs/dbraw/zinc/01/97/96/563019796.db2.gz VPRJZSXSPJMNAC-YOEHRIQHSA-N 0 0 443.525 2.743 50 0 IFAARN Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(C(=O)c4ccco4)CC2)[nH]c3=O)c1 ZINC000015987587 563020710 /nfs/dbraw/zinc/02/07/10/563020710.db2.gz RDGKALFUXVIASD-UHFFFAOYSA-N 0 0 432.484 2.793 50 0 IFAARN CCN1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@@H]23)CC1 ZINC000020208912 563024027 /nfs/dbraw/zinc/02/40/27/563024027.db2.gz XCRDAZGCMFSDHJ-ZEQRLZLVSA-N 0 0 449.551 2.705 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020213977 563024090 /nfs/dbraw/zinc/02/40/90/563024090.db2.gz FOGAQLHGZGHVNS-IBGZPJMESA-N 0 0 449.935 2.786 50 0 IFAARN Cc1nn2c(nc(C)c(CCC(=O)NCCN3CCOCC3)c2C)c1-c1ccc(F)cc1 ZINC000020282512 563024337 /nfs/dbraw/zinc/02/43/37/563024337.db2.gz SMNLKHAZPKNXJT-UHFFFAOYSA-N 0 0 439.535 2.842 50 0 IFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000031348521 563083246 /nfs/dbraw/zinc/08/32/46/563083246.db2.gz NHLJQEJSXXPCOW-UHFFFAOYSA-N 0 0 426.423 2.722 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NCc3ccccc3)CC2)cc1 ZINC000036385120 563094401 /nfs/dbraw/zinc/09/44/01/563094401.db2.gz ORDDIFWLMWNEDG-LJQANCHMSA-N 0 0 429.586 2.650 50 0 IFAARN Cc1ccccc1-n1cc(CNC(=O)C[C@@H]2C(=O)NCCN2C/C=C/c2ccccc2)cn1 ZINC000055060990 563142336 /nfs/dbraw/zinc/14/23/36/563142336.db2.gz DNMUSEQROJDQDA-QQRRWSATSA-N 0 0 443.551 2.701 50 0 IFAARN CCN(CC)C(=O)COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O ZINC000056949848 563143078 /nfs/dbraw/zinc/14/30/78/563143078.db2.gz XNAWOHPNDWNPLB-UHFFFAOYSA-N 0 0 433.936 2.863 50 0 IFAARN CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000059552637 563146621 /nfs/dbraw/zinc/14/66/21/563146621.db2.gz WYFUTFGOGUJQPL-QFIPXVFZSA-N 0 0 440.975 2.946 50 0 IFAARN CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000059552635 563146635 /nfs/dbraw/zinc/14/66/35/563146635.db2.gz WYFUTFGOGUJQPL-JOCHJYFZSA-N 0 0 440.975 2.946 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2nc(C)cs2)c(OC)c1 ZINC000082056114 563172921 /nfs/dbraw/zinc/17/29/21/563172921.db2.gz GOAHEELJOFYKGY-QGZVFWFLSA-N 0 0 432.546 2.658 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2nc(C)cs2)c(OC)c1 ZINC000082056115 563172938 /nfs/dbraw/zinc/17/29/38/563172938.db2.gz GOAHEELJOFYKGY-KRWDZBQOSA-N 0 0 432.546 2.658 50 0 IFAARN Cc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)C2=O)c(C)c1 ZINC000095351725 563180585 /nfs/dbraw/zinc/18/05/85/563180585.db2.gz ZSRKRMRGEWIZRI-INIZCTEOSA-N 0 0 435.933 2.951 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000096287049 563197358 /nfs/dbraw/zinc/19/73/58/563197358.db2.gz QRKHBFAMMHEZTB-RYQLBKOJSA-N 0 0 449.573 2.528 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000096287048 563197442 /nfs/dbraw/zinc/19/74/42/563197442.db2.gz QRKHBFAMMHEZTB-NXHRZFHOSA-N 0 0 449.573 2.528 50 0 IFAARN C[C@H](O)CN1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@@H]1C ZINC000107502263 568625426 /nfs/dbraw/zinc/62/54/26/568625426.db2.gz KMMNOWGASBKASI-KBPBESRZSA-N 0 0 448.917 2.884 50 0 IFAARN NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)cc1 ZINC000585150202 568627776 /nfs/dbraw/zinc/62/77/76/568627776.db2.gz GKMZVGSTSLACTB-UHFFFAOYSA-N 0 0 426.498 2.551 50 0 IFAARN C[C@@H](C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000018948186 568628988 /nfs/dbraw/zinc/62/89/88/568628988.db2.gz AEKJAQSJZMIMMA-AWEZNQCLSA-N 0 0 447.447 2.528 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ccc3c(c2)OCCCO3)C1=O ZINC000025139831 568639181 /nfs/dbraw/zinc/63/91/81/568639181.db2.gz JFWJMNWOMYBANG-JOCHJYFZSA-N 0 0 441.509 2.829 50 0 IFAARN O=C(CN(c1ccncc1)S(=O)(=O)c1ccccc1)Nc1cccc2nsnc21 ZINC000019079911 568640922 /nfs/dbraw/zinc/64/09/22/568640922.db2.gz LKEBEGCLGAKGON-UHFFFAOYSA-N 0 0 425.495 2.920 50 0 IFAARN Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c(C)c1 ZINC000019079956 568641005 /nfs/dbraw/zinc/64/10/05/568641005.db2.gz OCZJJJAMYZSZBW-UHFFFAOYSA-N 0 0 444.582 2.774 50 0 IFAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1sccc1-n1cccc1 ZINC000025153644 568643575 /nfs/dbraw/zinc/64/35/75/568643575.db2.gz KWOQQKUKRSBQDY-UHFFFAOYSA-N 0 0 435.502 2.951 50 0 IFAARN CC(=O)O[C@H]1CC[C@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@@]1(C)CC[C@@H]34 ZINC000254702322 568644772 /nfs/dbraw/zinc/64/47/72/568644772.db2.gz IRJWPUOTLSQRFN-XWMMZTFMSA-N 0 0 444.524 2.835 50 0 IFAARN O=C(c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1)N1CCOCC1 ZINC000000959975 568646513 /nfs/dbraw/zinc/64/65/13/568646513.db2.gz IISLLXFKVYYLQV-UHFFFAOYSA-N 0 0 425.872 2.590 50 0 IFAARN CN(c1ccc(-c2csc(NC(=O)CCNC(=O)C(C)(C)C)n2)cc1)S(C)(=O)=O ZINC000025246096 568649019 /nfs/dbraw/zinc/64/90/19/568649019.db2.gz DUFPNKFZWIUGDD-UHFFFAOYSA-N 0 0 438.575 2.697 50 0 IFAARN O=C(NC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(Br)cc1 ZINC000001064804 568656068 /nfs/dbraw/zinc/65/60/68/568656068.db2.gz NHVZXZZUXMPHEW-OCCSQVGLSA-N 0 0 432.343 2.745 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000025413175 568656712 /nfs/dbraw/zinc/65/67/12/568656712.db2.gz AIQCLBAMLXOMSL-RHSMWYFYSA-N 0 0 448.416 2.995 50 0 IFAARN COc1ccccc1NC(=O)N1CCC(CNC(=O)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000043943676 568744062 /nfs/dbraw/zinc/74/40/62/568744062.db2.gz GWZWXOJRNBQXRG-QGZVFWFLSA-N 0 0 438.528 2.933 50 0 IFAARN O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003277849 568744761 /nfs/dbraw/zinc/74/47/61/568744761.db2.gz PYJXRMCPVVKGHO-UHFFFAOYSA-N 0 0 441.749 2.532 50 0 IFAARN CCN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000003420166 568748851 /nfs/dbraw/zinc/74/88/51/568748851.db2.gz MYHUXXBQFQAFBT-INIZCTEOSA-N 0 0 430.526 2.852 50 0 IFAARN CCN(C(=O)CSc1ncnc2sc3c(c21)CC[C@@H](C)C3)[C@H]1CCS(=O)(=O)C1 ZINC000003502800 568750308 /nfs/dbraw/zinc/75/03/08/568750308.db2.gz JLHZYHRJSXRUHR-OLZOCXBDSA-N 0 0 439.628 2.944 50 0 IFAARN COc1ccc(-c2cc(=NC(=O)c3cccc(Cl)n3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158637 568751111 /nfs/dbraw/zinc/75/11/11/568751111.db2.gz YLMWMECVOLGNLH-CQSZACIVSA-N 0 0 446.916 2.641 50 0 IFAARN COc1cc(OC)cc(-c2nc(SCC(=O)N3CCN(c4ccccc4)CC3)n[nH]2)c1 ZINC000044549947 568754310 /nfs/dbraw/zinc/75/43/10/568754310.db2.gz ZBLAPYKXVLDXBN-UHFFFAOYSA-N 0 0 439.541 2.930 50 0 IFAARN CCN(CC)C(=O)c1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000015292531 568755020 /nfs/dbraw/zinc/75/50/20/568755020.db2.gz GRECMCBFTIWQOL-UHFFFAOYSA-N 0 0 446.573 2.778 50 0 IFAARN COc1ccc([C@]2(CC(=O)N3CCc4c(Cl)cccc4C3)CC(=O)N(C)C2=O)cc1 ZINC000299768867 568756458 /nfs/dbraw/zinc/75/64/58/568756458.db2.gz QONFFBBJMRCSOA-HSZRJFAPSA-N 0 0 426.900 2.950 50 0 IFAARN C[C@@H](c1cccs1)N1C(=O)c2cccc(N3CCC(C(=O)N(C)CCO)CC3)c2C1=O ZINC000299771919 568756823 /nfs/dbraw/zinc/75/68/23/568756823.db2.gz XGAPNZAODGKPSD-HNNXBMFYSA-N 0 0 441.553 2.772 50 0 IFAARN COc1ccc([C@@H]2CC(=O)Oc3c4c5c(c(=O)oc4cc(C)c32)CCC5)cc1OCC(N)=O ZINC000263585572 568758857 /nfs/dbraw/zinc/75/88/57/568758857.db2.gz KFOJFWIKIXUUHJ-INIZCTEOSA-N 0 0 449.459 2.904 50 0 IFAARN Cc1c(C)[n+]([O-])c([C@@H](c2ccncc2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 ZINC000263587290 568760448 /nfs/dbraw/zinc/76/04/48/568760448.db2.gz FGMUJBIVZRLXDK-IBGZPJMESA-N 0 0 435.480 2.766 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000015390800 568761383 /nfs/dbraw/zinc/76/13/83/568761383.db2.gz IPYDLCZMWBJUOX-GOSISDBHSA-N 0 0 430.526 2.973 50 0 IFAARN O=C(CNC(=O)c1ccc(I)c(F)c1)N1CCc2ccccc2C1 ZINC000078445332 568761443 /nfs/dbraw/zinc/76/14/43/568761443.db2.gz YXFIDDDUMOLWLQ-UHFFFAOYSA-N 0 0 438.240 2.745 50 0 IFAARN Cc1ccc(C)c(NC(=O)CN2CCn3nnc(-c4nc(-c5ccccc5)no4)c3C2=O)c1 ZINC000263616142 568776897 /nfs/dbraw/zinc/77/68/97/568776897.db2.gz HILSPIVRBAAIJH-UHFFFAOYSA-N 0 0 443.467 2.706 50 0 IFAARN COc1ccc(-c2noc(Cn3ccn4nc(-c5ccccc5)c(CO)c4c3=O)n2)cc1 ZINC000263618861 568777874 /nfs/dbraw/zinc/77/78/74/568777874.db2.gz VVTHDGRBHCRPDJ-UHFFFAOYSA-N 0 0 429.436 2.762 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCCC4=O)cc3)CC2)s1 ZINC000025778282 568779654 /nfs/dbraw/zinc/77/96/54/568779654.db2.gz NZAFDRDNDBEYJF-UHFFFAOYSA-N 0 0 447.582 2.720 50 0 IFAARN NC(=O)CN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)C1=O ZINC000032104333 568781103 /nfs/dbraw/zinc/78/11/03/568781103.db2.gz ONBCQUSNPBYMNY-QFIPXVFZSA-N 0 0 444.476 2.592 50 0 IFAARN Cc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1NC(=O)c1ccccc1F ZINC000032164950 568782855 /nfs/dbraw/zinc/78/28/55/568782855.db2.gz SXKIUMFKDMWZTN-QGZVFWFLSA-N 0 0 447.532 2.930 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(N)=O)c2ccccc2)cc1 ZINC000004167073 568783070 /nfs/dbraw/zinc/78/30/70/568783070.db2.gz NJHHCGBOVZVCPX-UHFFFAOYSA-N 0 0 439.493 2.628 50 0 IFAARN CN(C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000083855559 568783455 /nfs/dbraw/zinc/78/34/55/568783455.db2.gz JLCGXPJZLGJICT-DLBZAZTESA-N 0 0 449.495 2.971 50 0 IFAARN CNS(=O)(=O)c1ccccc1N1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000083884185 568784448 /nfs/dbraw/zinc/78/44/48/568784448.db2.gz PZDLDFOEEYKGNK-UHFFFAOYSA-N 0 0 425.554 2.949 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3cc(C)cc(C)c3)c(C)cc2NC1=O ZINC000046056188 568787080 /nfs/dbraw/zinc/78/70/80/568787080.db2.gz PXUOTIAAYGWBBE-SFHVURJKSA-N 0 0 445.541 2.981 50 0 IFAARN COC(=O)CCN(C[C@H]1CCCO1)c1nc(CN2CCOCC2)nc2sc(C)c(C)c21 ZINC000084065473 568790797 /nfs/dbraw/zinc/79/07/97/568790797.db2.gz PBHWITBDLLURHI-QGZVFWFLSA-N 0 0 448.589 2.689 50 0 IFAARN O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)N1CCN(c2ccccc2F)CC1 ZINC000016648480 568791108 /nfs/dbraw/zinc/79/11/08/568791108.db2.gz OCMOVWWTLGBNTC-GOSISDBHSA-N 0 0 433.487 2.996 50 0 IFAARN CCc1c(-c2ccccc2)n(-c2ccccc2OC)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000001423539 568793369 /nfs/dbraw/zinc/79/33/69/568793369.db2.gz OWNXPXDQRVZDAB-UHFFFAOYSA-N 0 0 429.480 2.914 50 0 IFAARN Cc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3Br)CC2)c1 ZINC000084146410 568794688 /nfs/dbraw/zinc/79/46/88/568794688.db2.gz XKMDCCGJNVLAQY-UHFFFAOYSA-N 0 0 439.331 2.610 50 0 IFAARN COCCCC(=O)OC1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000078822641 568794955 /nfs/dbraw/zinc/79/49/55/568794955.db2.gz NQROAILXUDDGBO-UHFFFAOYSA-N 0 0 448.379 2.657 50 0 IFAARN O=C(OCc1ccccc1)C1=C[C@]2(CC(=O)N(c3cccc(Br)c3)C2=O)NN1 ZINC000001431845 568795077 /nfs/dbraw/zinc/79/50/77/568795077.db2.gz QKIZSVCYQHUAQB-HXUWFJFHSA-N 0 0 442.269 2.544 50 0 IFAARN Cc1ccc(-n2cc(C(=O)N3CCN(C[C@H]4COCCO4)CC3)c(C(C)(C)C)n2)cc1 ZINC000084177493 568795643 /nfs/dbraw/zinc/79/56/43/568795643.db2.gz QFBHKLIQZPJCHD-FQEVSTJZSA-N 0 0 426.561 2.651 50 0 IFAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000084186132 568796078 /nfs/dbraw/zinc/79/60/78/568796078.db2.gz HTGONWRNSKZCFL-UHFFFAOYSA-N 0 0 427.505 2.720 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1O ZINC000084490214 568798183 /nfs/dbraw/zinc/79/81/83/568798183.db2.gz MCOBHHBCWAIYSN-UHFFFAOYSA-N 0 0 426.878 2.514 50 0 IFAARN O=C(OCc1ccccc1)N1CCC[C@H]1CS(=O)(=O)N1CCC(n2ccnc2)CC1 ZINC000084539390 568798550 /nfs/dbraw/zinc/79/85/50/568798550.db2.gz LQDKHABMNCGBKX-FQEVSTJZSA-N 0 0 432.546 2.651 50 0 IFAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cn1 ZINC000084572568 568798843 /nfs/dbraw/zinc/79/88/43/568798843.db2.gz LETOZVWGBPLEQQ-UHFFFAOYSA-N 0 0 431.481 2.554 50 0 IFAARN COC[C@@](C)(CC(=O)OC)NC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 ZINC000084636873 568799458 /nfs/dbraw/zinc/79/94/58/568799458.db2.gz YLZIEGBLWZZVER-HSZRJFAPSA-N 0 0 427.501 2.982 50 0 IFAARN CCOC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)C(C)C ZINC000084791155 568801498 /nfs/dbraw/zinc/80/14/98/568801498.db2.gz NAUGNYXZTXRXNG-LJQANCHMSA-N 0 0 438.590 2.716 50 0 IFAARN O=C(CCc1nnc2ccc(N3CCCCC3)nn21)Nc1ccc(CN2CCOCC2)cc1 ZINC000015678889 568805430 /nfs/dbraw/zinc/80/54/30/568805430.db2.gz ZOSGKWSYQKNDCF-UHFFFAOYSA-N 0 0 449.559 2.518 50 0 IFAARN COc1cccc(CNC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000015726698 568812479 /nfs/dbraw/zinc/81/24/79/568812479.db2.gz IEEXTULCZYWKRN-ZIAGYGMSSA-N 0 0 448.566 2.854 50 0 IFAARN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000015727720 568812715 /nfs/dbraw/zinc/81/27/15/568812715.db2.gz RMGBEUSKVOMQIF-UHFFFAOYSA-N 0 0 435.528 2.947 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c1 ZINC000015728155 568812834 /nfs/dbraw/zinc/81/28/34/568812834.db2.gz KUDOYRPFVYXJJE-OAHLLOKOSA-N 0 0 427.530 2.879 50 0 IFAARN COc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000085392131 568817114 /nfs/dbraw/zinc/81/71/14/568817114.db2.gz UNZVMXHMCAIJDA-UHFFFAOYSA-N 0 0 443.569 2.832 50 0 IFAARN O=S(=O)(c1nnn2c1nc(N[C@@H]1CN3CCC1CC3)c1ccccc12)c1ccccc1 ZINC000085393546 568817275 /nfs/dbraw/zinc/81/72/75/568817275.db2.gz KSIFBRAILYXPSK-GOSISDBHSA-N 0 0 434.525 2.616 50 0 IFAARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000015743871 568819681 /nfs/dbraw/zinc/81/96/81/568819681.db2.gz ZQUDMKJKVRNWIQ-UHFFFAOYSA-N 0 0 428.432 2.861 50 0 IFAARN CCc1ccccc1NC(=O)N1CCC(N2CCN(Cc3ccccn3)C(=O)C2=O)CC1 ZINC000015774839 568823244 /nfs/dbraw/zinc/82/32/44/568823244.db2.gz RZTJJDWUZOOBHG-UHFFFAOYSA-N 0 0 435.528 2.511 50 0 IFAARN CCOCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(Cl)ccc2C)n(C)c1=O ZINC000006089656 568823315 /nfs/dbraw/zinc/82/33/15/568823315.db2.gz KJCHFQOTHGBLAW-ZDUSSCGKSA-N 0 0 431.924 2.683 50 0 IFAARN O=C(CCc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn21)NCc1ccc(F)cc1 ZINC000015776620 568823975 /nfs/dbraw/zinc/82/39/75/568823975.db2.gz HJKLOYAZNHFLJW-UHFFFAOYSA-N 0 0 448.458 2.853 50 0 IFAARN COc1cccc(CNC(=O)C2CCN(c3nnc(N4CCCCC4=O)s3)CC2)c1 ZINC000015777458 568823986 /nfs/dbraw/zinc/82/39/86/568823986.db2.gz URKUFRAKMJDWOB-UHFFFAOYSA-N 0 0 429.546 2.596 50 0 IFAARN COc1ccc(OC)c(CN2CCc3nc(N4CCN(c5ccccn5)CC4)ncc3C2)c1 ZINC000015779625 568824992 /nfs/dbraw/zinc/82/49/92/568824992.db2.gz PFPPKZKXTZVWTJ-UHFFFAOYSA-N 0 0 446.555 2.774 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C ZINC000085597909 568826013 /nfs/dbraw/zinc/82/60/13/568826013.db2.gz AKOAZVYUUFVPGW-UHFFFAOYSA-N 0 0 425.938 2.973 50 0 IFAARN Cc1[nH]c(C(=O)NCc2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598210 568827274 /nfs/dbraw/zinc/82/72/74/568827274.db2.gz IBLMUWMQHPFWEO-UHFFFAOYSA-N 0 0 433.530 2.855 50 0 IFAARN Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)NC4CCCC4)CC3)nc3cccnc32)cc1 ZINC000085628134 568828429 /nfs/dbraw/zinc/82/84/29/568828429.db2.gz SUEMQSOFRZGJKN-UHFFFAOYSA-N 0 0 446.555 2.922 50 0 IFAARN CCOc1cc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)ccc1OC ZINC000085628412 568828491 /nfs/dbraw/zinc/82/84/91/568828491.db2.gz SWMSTKCXZYLJNO-QGZVFWFLSA-N 0 0 436.512 2.863 50 0 IFAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)cc1OC ZINC000085628434 568828539 /nfs/dbraw/zinc/82/85/39/568828539.db2.gz VXIWJRNQDKJCBZ-KRWDZBQOSA-N 0 0 436.512 2.863 50 0 IFAARN CCCCn1c2nn(CC(=O)c3ccc(OC)c(OC)c3)c(=O)n2c2ccsc2c1=O ZINC000085641249 568828771 /nfs/dbraw/zinc/82/87/71/568828771.db2.gz VEAXSLHRJCWUCP-UHFFFAOYSA-N 0 0 442.497 2.573 50 0 IFAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(Cl)cn1 ZINC000085644718 568829652 /nfs/dbraw/zinc/82/96/52/568829652.db2.gz VSQNXICLSVIJBK-UHFFFAOYSA-N 0 0 448.936 2.683 50 0 IFAARN Cc1ccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)nc1 ZINC000085645125 568829951 /nfs/dbraw/zinc/82/99/51/568829951.db2.gz QUQJJRHMEZZITP-UHFFFAOYSA-N 0 0 442.545 2.728 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1ccc(OC)cc1 ZINC000085648467 568830565 /nfs/dbraw/zinc/83/05/65/568830565.db2.gz UMXOAMLIOIRZQN-UHFFFAOYSA-N 0 0 445.545 2.889 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1ccc(C)cn1 ZINC000085648456 568830579 /nfs/dbraw/zinc/83/05/79/568830579.db2.gz YQNLBDSPELHVKR-UHFFFAOYSA-N 0 0 430.534 2.584 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)cc1C ZINC000085650901 568830870 /nfs/dbraw/zinc/83/08/70/568830870.db2.gz OITPKAFRZFHLAB-UHFFFAOYSA-N 0 0 446.573 2.907 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCC(C)CC3)c2)c(C)c1 ZINC000085650876 568830892 /nfs/dbraw/zinc/83/08/92/568830892.db2.gz WGLOCNTXUZQWOS-UHFFFAOYSA-N 0 0 446.573 2.763 50 0 IFAARN Cc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCCC2)cc1 ZINC000085651635 568831436 /nfs/dbraw/zinc/83/14/36/568831436.db2.gz RWHHCPBGLMVUHX-UHFFFAOYSA-N 0 0 445.566 2.819 50 0 IFAARN CC1CCC(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3sc2=O)CC1 ZINC000085651921 568831646 /nfs/dbraw/zinc/83/16/46/568831646.db2.gz OUFFZNHFPYLJDQ-UHFFFAOYSA-N 0 0 437.587 2.542 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)cc1 ZINC000085651008 568831670 /nfs/dbraw/zinc/83/16/70/568831670.db2.gz WQKMIKKFBNUEHN-KRWDZBQOSA-N 0 0 444.557 2.599 50 0 IFAARN COc1ccc(CC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1 ZINC000085654552 568832910 /nfs/dbraw/zinc/83/29/10/568832910.db2.gz MNSXRGXXVWEGLE-UHFFFAOYSA-N 0 0 432.524 2.749 50 0 IFAARN O=C(CCC/C=C\C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)COc1ccccc1)NCC1CC1 ZINC000583652955 568837754 /nfs/dbraw/zinc/83/77/54/568837754.db2.gz KVKRYMGBWCAHHK-HICICOIQSA-N 0 0 443.584 2.983 50 0 IFAARN O=C(CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)COc1ccccc1)NCC1CC1 ZINC000583652956 568837779 /nfs/dbraw/zinc/83/77/79/568837779.db2.gz KVKRYMGBWCAHHK-LXRUSJBGSA-N 0 0 443.584 2.983 50 0 IFAARN COC(=O)c1nc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)sc1CC(C)C ZINC000085879475 568839147 /nfs/dbraw/zinc/83/91/47/568839147.db2.gz CDNWLHZDUDAXAM-AWEZNQCLSA-N 0 0 444.513 2.598 50 0 IFAARN COc1cc(OC)c(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)cc1OC ZINC000085879652 568839185 /nfs/dbraw/zinc/83/91/85/568839185.db2.gz TZHRRASPDDLWKX-UHFFFAOYSA-N 0 0 430.409 2.827 50 0 IFAARN COc1cnc(CSc2nncn2C)cc1OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000015823923 568840273 /nfs/dbraw/zinc/84/02/73/568840273.db2.gz WLDOAPBANOTBEB-UHFFFAOYSA-N 0 0 427.486 2.731 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3ccc(C(=O)Nc4ccc(C)cc4)cn3c2=O)cc1 ZINC000015829581 568841468 /nfs/dbraw/zinc/84/14/68/568841468.db2.gz FPUXNNVOLXTUKT-UHFFFAOYSA-N 0 0 431.452 2.704 50 0 IFAARN COc1cc([C@H]2Nc3ccccc3-n3cc4c(c32)n(C)c(=O)n(C)c4=O)cc(OC)c1OC ZINC000015834433 568842737 /nfs/dbraw/zinc/84/27/37/568842737.db2.gz LSLXNHAWTOJKGL-LJQANCHMSA-N 0 0 448.479 2.569 50 0 IFAARN COc1ccc(OCC23OC4C5(CCCO5)C(O2)C2(CCCO2)C(O3)C42CCCO2)cc1 ZINC000043199175 568843200 /nfs/dbraw/zinc/84/32/00/568843200.db2.gz GWPOSULFHKKNAB-UHFFFAOYSA-N 0 0 446.496 2.572 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000015839549 568844504 /nfs/dbraw/zinc/84/45/04/568844504.db2.gz ATGVNUKSUQSGNF-UHFFFAOYSA-N 0 0 441.513 2.580 50 0 IFAARN COC(=O)C[C@H]1CN=N[C@@]1(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000006142461 568845356 /nfs/dbraw/zinc/84/53/56/568845356.db2.gz FFNWZUULGQZUMN-PGRDOPGGSA-N 0 0 425.441 2.998 50 0 IFAARN CCCOC(=O)c1c(C)n(S(=O)(=O)CC)c2cc(C)c(NS(=O)(=O)CC)cc21 ZINC000006142913 568845691 /nfs/dbraw/zinc/84/56/91/568845691.db2.gz POYDXJRZHMSRPR-UHFFFAOYSA-N 0 0 430.548 2.784 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)c1 ZINC000015858453 568846573 /nfs/dbraw/zinc/84/65/73/568846573.db2.gz PNBJWTADKASCCP-LLVKDONJSA-N 0 0 435.889 2.863 50 0 IFAARN COC(=O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)c1 ZINC000015858460 568846595 /nfs/dbraw/zinc/84/65/95/568846595.db2.gz ABRLJRKALXGTKD-LLVKDONJSA-N 0 0 436.873 2.691 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000006150620 568847220 /nfs/dbraw/zinc/84/72/20/568847220.db2.gz DYBCXQHOIZITPS-UHFFFAOYSA-N 0 0 430.555 2.762 50 0 IFAARN COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)c(OC)c1OC ZINC000015865756 568850583 /nfs/dbraw/zinc/85/05/83/568850583.db2.gz ZVIGCLCAFUNJLR-IBGZPJMESA-N 0 0 436.258 2.888 50 0 IFAARN CCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2C1 ZINC000015880165 568854075 /nfs/dbraw/zinc/85/40/75/568854075.db2.gz STMLNEOJOQWFGX-UHFFFAOYSA-N 0 0 434.587 2.948 50 0 IFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(CC)cc1 ZINC000015883429 568857568 /nfs/dbraw/zinc/85/75/68/568857568.db2.gz FKTXJIKQPRWQEK-UHFFFAOYSA-N 0 0 426.542 2.878 50 0 IFAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccccc1OC ZINC000015883567 568857795 /nfs/dbraw/zinc/85/77/95/568857795.db2.gz YALJHYBKECOBOI-UHFFFAOYSA-N 0 0 442.541 2.714 50 0 IFAARN CCOc1ccccc1NC(=O)CSc1c(C(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000015883477 568857835 /nfs/dbraw/zinc/85/78/35/568857835.db2.gz XLDJONIURUGBPT-UHFFFAOYSA-N 0 0 442.541 2.885 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C1 ZINC000015912197 568858637 /nfs/dbraw/zinc/85/86/37/568858637.db2.gz MOXWAWKOULDSGT-IYBDPMFKSA-N 0 0 427.526 2.952 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000575414932 568862490 /nfs/dbraw/zinc/86/24/90/568862490.db2.gz RFIVEQUNGZJGKT-ROUUACIJSA-N 0 0 440.537 2.913 50 0 IFAARN COc1ccc(-c2noc(CN3C(=O)N[C@](C)(c4cc(F)ccc4F)C3=O)n2)cc1OC ZINC000012938686 568867807 /nfs/dbraw/zinc/86/78/07/568867807.db2.gz UEOMLGMOYGMRJV-OAQYLSRUSA-N 0 0 444.394 2.999 50 0 IFAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2ccc4c(c2)OCCO4)c3=O)c(C)c1 ZINC000016047559 568868938 /nfs/dbraw/zinc/86/89/38/568868938.db2.gz JZOUUMWGACPYSW-UHFFFAOYSA-N 0 0 431.452 2.609 50 0 IFAARN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000016063444 568869610 /nfs/dbraw/zinc/86/96/10/568869610.db2.gz JFTRDTFBZGZGKT-HNNXBMFYSA-N 0 0 438.908 2.563 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1Br ZINC000012947658 568871453 /nfs/dbraw/zinc/87/14/53/568871453.db2.gz IEIQHFHMYUBKAS-UHFFFAOYSA-N 0 0 438.303 2.515 50 0 IFAARN COc1nc(CNC(=O)Nc2ccc(SC(F)(F)F)cc2)nc(N2CCOCC2)n1 ZINC000575606327 568878054 /nfs/dbraw/zinc/87/80/54/568878054.db2.gz HLVFEROQUUAMTN-UHFFFAOYSA-N 0 0 444.439 2.650 50 0 IFAARN Cn1c(=O)n(C2CCN(C(=O)c3ccccc3Br)CC2)nc1C(F)(F)F ZINC000575607091 568878242 /nfs/dbraw/zinc/87/82/42/568878242.db2.gz USWYGKHVKBMUTR-UHFFFAOYSA-N 0 0 433.228 2.840 50 0 IFAARN COc1nc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc(N2CCOCC2)n1 ZINC000575607833 568878407 /nfs/dbraw/zinc/87/84/07/568878407.db2.gz QLGUORIFVYFFBG-UHFFFAOYSA-N 0 0 446.817 2.711 50 0 IFAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Oc3ncc(Cl)cn3)C2)cc1 ZINC000575609096 568878617 /nfs/dbraw/zinc/87/86/17/568878617.db2.gz JAIKHMCHRCNABI-KRWDZBQOSA-N 0 0 437.949 2.925 50 0 IFAARN O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 ZINC000575612254 568879396 /nfs/dbraw/zinc/87/93/96/568879396.db2.gz KKLONEJGBDCQJD-NSHDSACASA-N 0 0 434.262 2.749 50 0 IFAARN Cc1nn(CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1-c1cccs1 ZINC000575613282 568879505 /nfs/dbraw/zinc/87/95/05/568879505.db2.gz YXOAXXDVBFPDCT-UHFFFAOYSA-N 0 0 432.571 2.909 50 0 IFAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 ZINC000575614932 568881158 /nfs/dbraw/zinc/88/11/58/568881158.db2.gz CJAOFYVQPILSRJ-UHFFFAOYSA-N 0 0 440.953 2.552 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nc(C3CCC(F)(F)CC3)no2)cc1 ZINC000575615265 568881272 /nfs/dbraw/zinc/88/12/72/568881272.db2.gz CUMIBSFVAYBAAI-UHFFFAOYSA-N 0 0 428.461 2.543 50 0 IFAARN Cc1nn(CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1-c1ccco1 ZINC000575616478 568881455 /nfs/dbraw/zinc/88/14/55/568881455.db2.gz ZPXWPJIKYNDFLU-UHFFFAOYSA-N 0 0 442.541 2.974 50 0 IFAARN Cc1nc(-c2ccc(S(=O)(=O)NCc3nnc4n3C[C@H](C(F)(F)F)CC4)cc2)co1 ZINC000575616223 568881514 /nfs/dbraw/zinc/88/15/14/568881514.db2.gz IZMTWTUWSSYMDO-CYBMUJFWSA-N 0 0 441.435 2.845 50 0 IFAARN Cn1c(=O)n(C2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)nc1C(F)(F)F ZINC000575616789 568881631 /nfs/dbraw/zinc/88/16/31/568881631.db2.gz ZUZKQIDYXHAMIU-UHFFFAOYSA-N 0 0 435.809 2.669 50 0 IFAARN O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 ZINC000575618403 568882148 /nfs/dbraw/zinc/88/21/48/568882148.db2.gz VNKBIKLTTAYCJO-KBXCAEBGSA-N 0 0 436.530 2.629 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000575618412 568882177 /nfs/dbraw/zinc/88/21/77/568882177.db2.gz VNKBIKLTTAYCJO-KDOFPFPSSA-N 0 0 436.530 2.629 50 0 IFAARN CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3cccnc3)c2c1 ZINC000006296600 568882342 /nfs/dbraw/zinc/88/23/42/568882342.db2.gz KYIHOLCFWHIQPA-UHFFFAOYSA-N 0 0 442.541 2.664 50 0 IFAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)NC1CCCC1 ZINC000009519824 568883793 /nfs/dbraw/zinc/88/37/93/568883793.db2.gz ZZUKZQHSEPHKBL-UHFFFAOYSA-N 0 0 445.585 2.876 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000010511626 568884404 /nfs/dbraw/zinc/88/44/04/568884404.db2.gz JQGXBAAZXZWBPB-ZDUSSCGKSA-N 0 0 448.975 2.597 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000102422941 568884836 /nfs/dbraw/zinc/88/48/36/568884836.db2.gz RMFISHJSQJVLNJ-CALCHBBNSA-N 0 0 440.887 2.832 50 0 IFAARN Cc1nc(-c2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)nc2)no1 ZINC000090558883 568887758 /nfs/dbraw/zinc/88/77/58/568887758.db2.gz LTDCQOUZGKNZKJ-UHFFFAOYSA-N 0 0 439.541 2.830 50 0 IFAARN CC[C@@H](C(=O)Nc1ccccc1OC)n1cccc(-c2nc(-c3cnccn3)no2)c1=O ZINC000090592145 568888662 /nfs/dbraw/zinc/88/86/62/568888662.db2.gz CBSUZQIYDSEKKX-KRWDZBQOSA-N 0 0 432.440 2.954 50 0 IFAARN COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)N4CCc5ccccc54)n3)n2)cc1F ZINC000090592104 568888707 /nfs/dbraw/zinc/88/87/07/568888707.db2.gz ZUCBFPNWTPOWLR-UHFFFAOYSA-N 0 0 447.426 2.697 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)NCc4sc(C)nc4C)C3)ncn2)n1 ZINC000090593042 568889003 /nfs/dbraw/zinc/88/90/03/568889003.db2.gz BSJYAPBKEFGBBK-KRWDZBQOSA-N 0 0 425.562 2.885 50 0 IFAARN COCc1cc2nn(CC(=O)NCc3ccccc3Cl)c(=O)n2c(-c2ccccc2)n1 ZINC000090610158 568891865 /nfs/dbraw/zinc/89/18/65/568891865.db2.gz IOWCABMCLJIDTN-UHFFFAOYSA-N 0 0 437.887 2.674 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c(C)c1 ZINC000090616702 568892381 /nfs/dbraw/zinc/89/23/81/568892381.db2.gz WNIXSHBPDFKRDB-UHFFFAOYSA-N 0 0 433.530 2.767 50 0 IFAARN O=C(NCc1ccc([C@H](O)c2cccs2)s1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000090613776 568892510 /nfs/dbraw/zinc/89/25/10/568892510.db2.gz KFDBKDPAZFVVCB-GOSISDBHSA-N 0 0 430.507 2.553 50 0 IFAARN CCN(C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000013030430 568892716 /nfs/dbraw/zinc/89/27/16/568892716.db2.gz VBBZRVXOCIPEDA-KOEDOTQGSA-N 0 0 448.541 2.928 50 0 IFAARN COc1cccc(C=CC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000013097145 568892819 /nfs/dbraw/zinc/89/28/19/568892819.db2.gz RAPDEOMOPHGJEP-OUKQBFOZSA-N 0 0 448.523 2.878 50 0 IFAARN CC1(C)NC(=O)N(CCOC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)C1=O ZINC000064156900 568893439 /nfs/dbraw/zinc/89/34/39/568893439.db2.gz UEZCFPVOLIKTTO-UHFFFAOYSA-N 0 0 429.300 2.915 50 0 IFAARN NS(=O)(=O)c1ccc(NC=C2c3ccccc3C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000018068388 568894292 /nfs/dbraw/zinc/89/42/92/568894292.db2.gz ZBNAPTLRTBIWDU-KGENOOAVSA-N 0 0 433.489 2.970 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(F)c(F)c(F)c3F)CC2)cc1 ZINC000012987580 568895125 /nfs/dbraw/zinc/89/51/25/568895125.db2.gz SVKNNBZVPJFIAG-UHFFFAOYSA-N 0 0 446.422 2.835 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2)CC1 ZINC000012986309 568895630 /nfs/dbraw/zinc/89/56/30/568895630.db2.gz BXZJJPQMZMHZCR-UHFFFAOYSA-N 0 0 447.532 2.957 50 0 IFAARN CCCn1ccnc1SCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000039983567 568896366 /nfs/dbraw/zinc/89/63/66/568896366.db2.gz JSOMLKBLOCUPJU-LZYBPNLTSA-N 0 0 434.587 2.530 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000012996231 568896729 /nfs/dbraw/zinc/89/67/29/568896729.db2.gz WULQXBBNUJDXRJ-UHFFFAOYSA-N 0 0 435.354 2.995 50 0 IFAARN C[C@H](Sc1nnc(CCC(N)=O)n1C1CC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012999429 568898144 /nfs/dbraw/zinc/89/81/44/568898144.db2.gz UBQFYEIVTHABHD-INIZCTEOSA-N 0 0 441.601 2.993 50 0 IFAARN Cc1c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1ccccc1F ZINC000013011825 568901042 /nfs/dbraw/zinc/90/10/42/568901042.db2.gz YNILEOUFNRZTDS-UHFFFAOYSA-N 0 0 442.516 2.608 50 0 IFAARN CCc1ncnc(O[C@H]2CCN(C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)c1F ZINC000253473285 568903400 /nfs/dbraw/zinc/90/34/00/568903400.db2.gz TZUAUDRVYIXJLL-INIZCTEOSA-N 0 0 435.521 2.583 50 0 IFAARN COc1cc([C@@H](CC(=O)NCc2nc(C(C)C)no2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729804 568903850 /nfs/dbraw/zinc/90/38/50/568903850.db2.gz JTMNUZUYSYBOSZ-CQSZACIVSA-N 0 0 443.456 2.713 50 0 IFAARN COc1cc([C@H](CC(=O)NCc2csc(C)n2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729540 568903894 /nfs/dbraw/zinc/90/38/94/568903894.db2.gz XWFYPKBHYDVXLC-HNNXBMFYSA-N 0 0 430.482 2.971 50 0 IFAARN O=C(CSCc1cc(=O)n2ccsc2n1)NCc1ccccc1Cn1cccn1 ZINC000026647430 568905431 /nfs/dbraw/zinc/90/54/31/568905431.db2.gz NVTDQDUXGORUDG-UHFFFAOYSA-N 0 0 425.539 2.550 50 0 IFAARN CCOC(=O)c1sc(NC(=O)COC(=O)c2ccc(CO)cc2)c(C(=O)OCC)c1C ZINC000013057734 568907128 /nfs/dbraw/zinc/90/71/28/568907128.db2.gz PSCLCUXLYVORIH-UHFFFAOYSA-N 0 0 449.481 2.698 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)cc1 ZINC000001802488 568908514 /nfs/dbraw/zinc/90/85/14/568908514.db2.gz DEQNVXPKBHMDLU-AQHRCUNFSA-N 0 0 443.506 2.565 50 0 IFAARN Cc1ccc(-c2nn(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c(=S)[nH]2)cc1 ZINC000013063573 568908921 /nfs/dbraw/zinc/90/89/21/568908921.db2.gz UITBRCZDXONZDY-UHFFFAOYSA-N 0 0 429.571 2.880 50 0 IFAARN CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000089274604 568910031 /nfs/dbraw/zinc/91/00/31/568910031.db2.gz AYMWCYMPGOMMCH-CWTRNNRKSA-N 0 0 441.937 2.573 50 0 IFAARN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3ccnc(C(C)C)n3)CC2)cc1 ZINC000089274585 568910049 /nfs/dbraw/zinc/91/00/49/568910049.db2.gz WVKCZJLJGDOYCL-UHFFFAOYSA-N 0 0 437.587 2.962 50 0 IFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(OC)c3)C2)c1 ZINC000089274564 568910057 /nfs/dbraw/zinc/91/00/57/568910057.db2.gz BDXYIVLMINMRBP-LJQANCHMSA-N 0 0 437.543 2.568 50 0 IFAARN COc1ccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]23)cc1 ZINC000245257392 568914155 /nfs/dbraw/zinc/91/41/55/568914155.db2.gz ZGOYGPMYIGGZBU-FSYJOVACSA-N 0 0 446.459 2.795 50 0 IFAARN CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000026819138 568917464 /nfs/dbraw/zinc/91/74/64/568917464.db2.gz ALWVEZNXUOYVPO-LLVKDONJSA-N 0 0 428.757 2.772 50 0 IFAARN CCc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)cc(=O)oc2c1 ZINC000089286856 568918400 /nfs/dbraw/zinc/91/84/00/568918400.db2.gz IINWGYPMLMHVOQ-UHFFFAOYSA-N 0 0 442.537 2.871 50 0 IFAARN CCNC(=O)CN1CCCN(C(=O)c2ccccc2C(=O)c2ccc(CC)s2)CC1 ZINC000089286796 568918488 /nfs/dbraw/zinc/91/84/88/568918488.db2.gz COHJODFZJVZBKA-UHFFFAOYSA-N 0 0 427.570 2.826 50 0 IFAARN CN(C(=O)Cn1c(=O)c(Br)cn(Cc2ccccc2)c1=O)C1CCCCC1 ZINC000089334889 568920609 /nfs/dbraw/zinc/92/06/09/568920609.db2.gz VMFVFVQWGFTKAY-UHFFFAOYSA-N 0 0 434.334 2.612 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000016550967 568921274 /nfs/dbraw/zinc/92/12/74/568921274.db2.gz JMYVBCOLIHMMMK-HOCLYGCPSA-N 0 0 448.416 2.995 50 0 IFAARN Cc1cc2ccccc2n1CC(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000016559900 568922129 /nfs/dbraw/zinc/92/21/29/568922129.db2.gz AEHYDOFCOGTTRL-UHFFFAOYSA-N 0 0 434.539 2.529 50 0 IFAARN COC(=O)CNC(=O)c1cccc(NC(=O)c2sc3ccccc3c2C[S@](C)=O)c1 ZINC000089400945 568922696 /nfs/dbraw/zinc/92/26/96/568922696.db2.gz WUEUREVWLYPGLY-SSEXGKCCSA-N 0 0 444.534 2.935 50 0 IFAARN COCc1nc2scc(-c3ccccc3)c2c(N2CCN(CCS(C)(=O)=O)CC2)n1 ZINC000089420397 568924442 /nfs/dbraw/zinc/92/44/42/568924442.db2.gz FNBQXLCBEBRYLS-UHFFFAOYSA-N 0 0 446.598 2.671 50 0 IFAARN CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)CCC3CCCC3)CC2)C1=O ZINC000016612686 568925706 /nfs/dbraw/zinc/92/57/06/568925706.db2.gz FTBPEKBPZCIHQG-UHFFFAOYSA-N 0 0 440.588 2.760 50 0 IFAARN CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)Nc3ccccc3C)CC2)C1=O ZINC000016613092 568925802 /nfs/dbraw/zinc/92/58/02/568925802.db2.gz OCSCAIBLLHHTGE-UHFFFAOYSA-N 0 0 449.555 2.804 50 0 IFAARN O=S(=O)(c1ccc(Br)s1)N1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000026923093 568926257 /nfs/dbraw/zinc/92/62/57/568926257.db2.gz PBVLXPZNLTYDAR-AWEZNQCLSA-N 0 0 449.367 2.690 50 0 IFAARN COc1ccccc1CC(=O)N1CCC(NC(=O)c2cccnc2OCC(F)F)CC1 ZINC000089473606 568926500 /nfs/dbraw/zinc/92/65/00/568926500.db2.gz LUNNTKBYKHEIFO-UHFFFAOYSA-N 0 0 433.455 2.698 50 0 IFAARN Cc1nc(-c2cccc(CNC(=O)c3sccc3S(=O)(=O)N3CCCC3)c2)n[nH]1 ZINC000089497141 568927001 /nfs/dbraw/zinc/92/70/01/568927001.db2.gz FBLVNIAJJWXJOG-UHFFFAOYSA-N 0 0 431.543 2.556 50 0 IFAARN Cc1ncc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(Cl)c1Cl ZINC000089505454 568927680 /nfs/dbraw/zinc/92/76/80/568927680.db2.gz AROGLSJMLGAUJA-UHFFFAOYSA-N 0 0 428.341 2.985 50 0 IFAARN NC(=O)C1CCN(CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)CC1 ZINC000006509373 568928003 /nfs/dbraw/zinc/92/80/03/568928003.db2.gz ZZZGWQJWJVECTJ-UHFFFAOYSA-N 0 0 425.554 2.994 50 0 IFAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc32)no1 ZINC000064450568 568928695 /nfs/dbraw/zinc/92/86/95/568928695.db2.gz XJVNDJFNMKKWCI-UHFFFAOYSA-N 0 0 428.470 2.721 50 0 IFAARN CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)C2=O)CC1 ZINC000064567204 568933312 /nfs/dbraw/zinc/93/33/12/568933312.db2.gz KEEGVJORCGBQMJ-UHFFFAOYSA-N 0 0 447.491 2.834 50 0 IFAARN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1 ZINC000096595893 568934179 /nfs/dbraw/zinc/93/41/79/568934179.db2.gz STXPDPYAFAFEPZ-HJQKAEDSSA-N 0 0 445.566 2.602 50 0 IFAARN COc1ccc(-c2nn3c(nc(CNC(=O)COc4ccccc4C)cc3=O)s2)cc1 ZINC000064588622 568934593 /nfs/dbraw/zinc/93/45/93/568934593.db2.gz BISQSGOZGFSHCP-UHFFFAOYSA-N 0 0 436.493 2.830 50 0 IFAARN O=C(CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccco1)NCc1ccco1 ZINC000064590624 568935383 /nfs/dbraw/zinc/93/53/83/568935383.db2.gz RGEZEHQCQBAPKW-UHFFFAOYSA-N 0 0 441.494 2.749 50 0 IFAARN O=C(CSc1nnc2c(=O)n(-c3ccccc3)ccn12)NCc1ccccc1Cl ZINC000064593425 568935871 /nfs/dbraw/zinc/93/58/71/568935871.db2.gz FFACTNAKFREBSX-UHFFFAOYSA-N 0 0 425.901 2.942 50 0 IFAARN COc1cccc(-n2ccn3c(SCC(=O)Nc4cc(F)ccc4F)nnc3c2=O)c1 ZINC000064593714 568936059 /nfs/dbraw/zinc/93/60/59/568936059.db2.gz LULHHIRSUJJUBO-UHFFFAOYSA-N 0 0 443.435 2.898 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4cccc(OC)c4)ccn23)cc1 ZINC000064593686 568936063 /nfs/dbraw/zinc/93/60/63/568936063.db2.gz SKQFZVBTAUELGJ-UHFFFAOYSA-N 0 0 437.481 2.628 50 0 IFAARN COc1cc(N2C(=O)C[C@H](N3CCc4c5ccccc5[nH]c4C3)C2=O)cc(OC)c1OC ZINC000100792218 568936536 /nfs/dbraw/zinc/93/65/36/568936536.db2.gz QGAXKBLJIUDUOZ-IBGZPJMESA-N 0 0 435.480 2.884 50 0 IFAARN Cc1c(O)ccc2c(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc(=O)oc12 ZINC000089537086 568936716 /nfs/dbraw/zinc/93/67/16/568936716.db2.gz ZJEXXCYVKIYVIJ-UHFFFAOYSA-N 0 0 448.928 2.967 50 0 IFAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000089544374 568936933 /nfs/dbraw/zinc/93/69/33/568936933.db2.gz AHLNKDMDVAYJLB-XMMPIXPASA-N 0 0 431.496 2.598 50 0 IFAARN CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000016690089 568938440 /nfs/dbraw/zinc/93/84/40/568938440.db2.gz YFHMPRVNQPFADD-QGZVFWFLSA-N 0 0 429.546 2.744 50 0 IFAARN Cc1ccc(N2CCN(C(=O)CN3CCc4ccccc4[C@@H]3C(=O)N3CCCC3)CC2)cc1 ZINC000064611355 568939967 /nfs/dbraw/zinc/93/99/67/568939967.db2.gz NUHAENSDHBFOHQ-AREMUKBSSA-N 0 0 446.595 2.865 50 0 IFAARN COCCNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[nH]2)CC1 ZINC000064611611 568941429 /nfs/dbraw/zinc/94/14/29/568941429.db2.gz KYRXRIZASYHERV-UHFFFAOYSA-N 0 0 430.505 2.770 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035991572 568941774 /nfs/dbraw/zinc/94/17/74/568941774.db2.gz BZPBUWOIALEHDD-UZLBHIALSA-N 0 0 447.507 2.614 50 0 IFAARN Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)n3n2)cc1 ZINC000064710113 568944584 /nfs/dbraw/zinc/94/45/84/568944584.db2.gz VNPDCNVPYLJKIT-UHFFFAOYSA-N 0 0 449.492 2.761 50 0 IFAARN Cc1nc(SCc2ccc(C(=O)N3CCOCC3)cc2)nc(N2CCOCC2)c1C ZINC000036064078 568944932 /nfs/dbraw/zinc/94/49/32/568944932.db2.gz WKBVRTMFLKJSHQ-UHFFFAOYSA-N 0 0 428.558 2.695 50 0 IFAARN COc1cccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)[C@@H](C)C(C)C)c1 ZINC000036065574 568945292 /nfs/dbraw/zinc/94/52/92/568945292.db2.gz YYWGAZBMTWCIKR-IBGZPJMESA-N 0 0 444.576 2.792 50 0 IFAARN CC(C)CNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036085638 568948130 /nfs/dbraw/zinc/94/81/30/568948130.db2.gz CUGLOUGSKVGWLB-UHFFFAOYSA-N 0 0 430.867 2.621 50 0 IFAARN Cc1ccccc1Cn1c(=O)c(C(=O)NCc2ccc(F)cc2)nn(-c2ccccc2)c1=O ZINC000036086076 568948423 /nfs/dbraw/zinc/94/84/23/568948423.db2.gz JBFLWPXVDJBKSS-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN CCN(C)C(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086484 568948619 /nfs/dbraw/zinc/94/86/19/568948619.db2.gz NTCWBRQIOLACAQ-UHFFFAOYSA-N 0 0 426.904 2.805 50 0 IFAARN O=C(NCC1CC1)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036087482 568948864 /nfs/dbraw/zinc/94/88/64/568948864.db2.gz FPAJOVWFTZNBBM-UHFFFAOYSA-N 0 0 445.306 2.889 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3cccc(F)c3)c2=O)cc1 ZINC000036086698 568948977 /nfs/dbraw/zinc/94/89/77/568948977.db2.gz HQICOEAPZAUYQS-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN CCCNC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036086896 568949165 /nfs/dbraw/zinc/94/91/65/568949165.db2.gz QLHGRAWQCXFSOK-UHFFFAOYSA-N 0 0 446.429 2.910 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086770 568949226 /nfs/dbraw/zinc/94/92/26/568949226.db2.gz BXRJGLDBOWYNPE-HNNXBMFYSA-N 0 0 426.904 2.933 50 0 IFAARN CCN(CC)C(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036087104 568949354 /nfs/dbraw/zinc/94/93/54/568949354.db2.gz OSFFFUOVHFNXNN-UHFFFAOYSA-N 0 0 426.904 2.886 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036087088 568949461 /nfs/dbraw/zinc/94/94/61/568949461.db2.gz QKPIPUWXIAJPOX-HNNXBMFYSA-N 0 0 426.904 2.933 50 0 IFAARN CCCNC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036087540 568949676 /nfs/dbraw/zinc/94/96/76/568949676.db2.gz RFQFKAQCDFJCLM-UHFFFAOYSA-N 0 0 433.295 2.889 50 0 IFAARN CCNC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036087632 568949735 /nfs/dbraw/zinc/94/97/35/568949735.db2.gz XHWPPPIVSCPEKR-UHFFFAOYSA-N 0 0 432.402 2.519 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCC3CC3)c(=O)n(Cc3cccc(Cl)c3)c2=O)cc1F ZINC000036088936 568950035 /nfs/dbraw/zinc/95/00/35/568950035.db2.gz UUIWTJZTLHVBHR-UHFFFAOYSA-N 0 0 442.878 2.683 50 0 IFAARN Cc1ccc(Cn2c(=O)c(C(=O)NC3CC3)nn(-c3cccc(C(F)(F)F)c3)c2=O)cc1 ZINC000036088188 568950177 /nfs/dbraw/zinc/95/01/77/568950177.db2.gz VGCPDJXXKQKUOD-UHFFFAOYSA-N 0 0 444.413 2.662 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCC3CC3)c(=O)n(Cc3ccccc3C)c2=O)cc1Cl ZINC000036089237 568950395 /nfs/dbraw/zinc/95/03/95/568950395.db2.gz IOSQCLOAFQYSDZ-UHFFFAOYSA-N 0 0 438.915 2.853 50 0 IFAARN CCNC(=O)CSc1cnn(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1Cl ZINC000064755615 568951219 /nfs/dbraw/zinc/95/12/19/568951219.db2.gz CFVAMOJTZWAYOX-UHFFFAOYSA-N 0 0 448.854 2.782 50 0 IFAARN COc1ccc([C@@H]2SCC(=O)N2[C@H]2C(=O)N(c3ccccc3)N(C)[C@H]2C)c(OC)c1 ZINC000036108837 568953710 /nfs/dbraw/zinc/95/37/10/568953710.db2.gz VZOZFTFPRORIHG-OTPBECDQSA-N 0 0 427.526 2.929 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)cc1OC ZINC000064775995 568954882 /nfs/dbraw/zinc/95/48/82/568954882.db2.gz KJKYKKCDWIYOES-OAHLLOKOSA-N 0 0 434.496 2.825 50 0 IFAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(C)=O ZINC000036117596 568955946 /nfs/dbraw/zinc/95/59/46/568955946.db2.gz OHVXXLAXPOGGJS-GOSISDBHSA-N 0 0 432.542 2.756 50 0 IFAARN COc1ccccc1CN(C(=O)c1ccccc1OC)c1nn2c(nc(C)c(C)c2=O)[nH]1 ZINC000064791908 568959092 /nfs/dbraw/zinc/95/90/92/568959092.db2.gz MWOSSDUSMIGDDS-UHFFFAOYSA-N 0 0 433.468 2.899 50 0 IFAARN Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCOCC2)cc1 ZINC000064793275 568959517 /nfs/dbraw/zinc/95/95/17/568959517.db2.gz GPTGZANKXZJDEL-JOCHJYFZSA-N 0 0 430.512 2.599 50 0 IFAARN COc1ccccc1NC(=O)CSc1nc2cnn(C)c2c(=O)n1Cc1ccccc1 ZINC000064817036 568964390 /nfs/dbraw/zinc/96/43/90/568964390.db2.gz XTWSOESDLVOTAE-UHFFFAOYSA-N 0 0 435.509 2.918 50 0 IFAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(C)cc3C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000064816468 568965151 /nfs/dbraw/zinc/96/51/51/568965151.db2.gz ZEYPNDJSVHAKRQ-VWLOTQADSA-N 0 0 448.523 2.940 50 0 IFAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(C)cc3C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000064816469 568965257 /nfs/dbraw/zinc/96/52/57/568965257.db2.gz ZEYPNDJSVHAKRQ-RUZDIDTESA-N 0 0 448.523 2.940 50 0 IFAARN COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000064818655 568965299 /nfs/dbraw/zinc/96/52/99/568965299.db2.gz NKZXPIGWRHATAU-UHFFFAOYSA-N 0 0 430.360 2.587 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2C)cn1C ZINC000064818929 568965633 /nfs/dbraw/zinc/96/56/33/568965633.db2.gz VRMUKKPFJVUCKN-INIZCTEOSA-N 0 0 439.921 2.565 50 0 IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COc1ccccc1 ZINC000036156821 568965669 /nfs/dbraw/zinc/96/56/69/568965669.db2.gz HYJGPLAARQRWKD-MRXNPFEDSA-N 0 0 443.569 2.752 50 0 IFAARN COc1cccc(-n2c(=O)c3ccc(C(=O)NC4CCCC4)cc3nc2N2CCOCC2)c1 ZINC000064819244 568966056 /nfs/dbraw/zinc/96/60/56/568966056.db2.gz MLFJXHIRRJBMCC-UHFFFAOYSA-N 0 0 448.523 2.903 50 0 IFAARN COCC(=O)N1CCS[C@@]12c1cc(OC)ccc1N(Cc1ccc(F)c(F)c1)C2=O ZINC000036167541 568968445 /nfs/dbraw/zinc/96/84/45/568968445.db2.gz RULDFUHSJPCNLQ-OAQYLSRUSA-N 0 0 434.464 2.895 50 0 IFAARN O=C(NCc1cccc(Br)c1)c1cc(=O)nc2sc(N3CCCCC3)nn21 ZINC000064836302 568969203 /nfs/dbraw/zinc/96/92/03/568969203.db2.gz CCHDUTPELYVFFB-UHFFFAOYSA-N 0 0 448.346 2.834 50 0 IFAARN COc1ccc(CN2C[C@@H](C(=O)N(C)CCc3noc(-c4ccccc4)n3)CC2=O)cc1 ZINC000064840747 568969907 /nfs/dbraw/zinc/96/99/07/568969907.db2.gz PHBJGTVQRQKWGB-IBGZPJMESA-N 0 0 434.496 2.795 50 0 IFAARN Cn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2c1c1ccccc1oc2=O ZINC000064838848 568970249 /nfs/dbraw/zinc/97/02/49/568970249.db2.gz WBQNCOYMWPGEHM-UHFFFAOYSA-N 0 0 445.475 2.971 50 0 IFAARN CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(C)CC1 ZINC000064846457 568971920 /nfs/dbraw/zinc/97/19/20/568971920.db2.gz ZKARJYPLROLWOW-QGZVFWFLSA-N 0 0 435.590 2.691 50 0 IFAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccco2)CC1 ZINC000036208417 568973364 /nfs/dbraw/zinc/97/33/64/568973364.db2.gz QAGZHHVQEFBSEV-FOIQADDNSA-N 0 0 429.492 2.984 50 0 IFAARN CCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)ccc21 ZINC000064861686 568973891 /nfs/dbraw/zinc/97/38/91/568973891.db2.gz SZDFLCLNXYCDHR-UHFFFAOYSA-N 0 0 434.606 2.808 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)NC(C)C)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036210281 568974624 /nfs/dbraw/zinc/97/46/24/568974624.db2.gz OAJJOZXCEKOPIF-QFIPXVFZSA-N 0 0 437.540 2.871 50 0 IFAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210330 568974631 /nfs/dbraw/zinc/97/46/31/568974631.db2.gz ZGGSFRCJNMPPNS-VGSWGCGISA-N 0 0 431.577 2.993 50 0 IFAARN CCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036210460 568974647 /nfs/dbraw/zinc/97/46/47/568974647.db2.gz SYNCDKHGUBZHKW-OAQYLSRUSA-N 0 0 431.577 2.995 50 0 IFAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210328 568974682 /nfs/dbraw/zinc/97/46/82/568974682.db2.gz ZGGSFRCJNMPPNS-VGOFRKELSA-N 0 0 431.577 2.993 50 0 IFAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC(C)C)CC1 ZINC000036211511 568975500 /nfs/dbraw/zinc/97/55/00/568975500.db2.gz CZTMINFCHBFOJT-OPAMFIHVSA-N 0 0 445.560 2.713 50 0 IFAARN CCCNC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2OC)CC1 ZINC000036212295 568975958 /nfs/dbraw/zinc/97/59/58/568975958.db2.gz WZQINPPPYLLSOP-FQEVSTJZSA-N 0 0 443.569 2.934 50 0 IFAARN COCCCNC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036213313 568976957 /nfs/dbraw/zinc/97/69/57/568976957.db2.gz DZDACLUGGVKGLL-JOCHJYFZSA-N 0 0 431.577 2.531 50 0 IFAARN COc1cccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000036210965 568977000 /nfs/dbraw/zinc/97/70/00/568977000.db2.gz APDCLVBZXHGBKS-JOCHJYFZSA-N 0 0 431.577 2.851 50 0 IFAARN CCN(CC)C(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036214023 568977095 /nfs/dbraw/zinc/97/70/95/568977095.db2.gz RLXRZKISCHCIGZ-HXUWFJFHSA-N 0 0 446.592 2.882 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000036214053 568977123 /nfs/dbraw/zinc/97/71/23/568977123.db2.gz CCOWDVIBADXTCH-FQEVSTJZSA-N 0 0 446.592 2.786 50 0 IFAARN COc1cccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000036211242 568977152 /nfs/dbraw/zinc/97/71/52/568977152.db2.gz RVNDTSOUZGEITM-JOCHJYFZSA-N 0 0 429.561 2.701 50 0 IFAARN CCC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NCCOC)c1 ZINC000036218428 568977615 /nfs/dbraw/zinc/97/76/15/568977615.db2.gz RUIQYDZMTXZBIT-NHCUHLMSSA-N 0 0 425.485 2.860 50 0 IFAARN Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1F ZINC000036227628 568978880 /nfs/dbraw/zinc/97/88/80/568978880.db2.gz STMKEMXWLVLGNJ-UHFFFAOYSA-N 0 0 425.913 2.733 50 0 IFAARN Cc1ccc(CN2CCN(CC(=O)N3CCC(Cc4ccccc4)CC3)C(=O)C2=O)cc1 ZINC000064888657 568979537 /nfs/dbraw/zinc/97/95/37/568979537.db2.gz XLKHCXLHRZPSHU-UHFFFAOYSA-N 0 0 433.552 2.647 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)NCc1ccccc1Cl ZINC000064889365 568979932 /nfs/dbraw/zinc/97/99/32/568979932.db2.gz SJAPNUMXVWETPM-UHFFFAOYSA-N 0 0 449.964 2.822 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1cccc(C(C)=O)c1 ZINC000064889408 568980011 /nfs/dbraw/zinc/98/00/11/568980011.db2.gz GJSYJAMRKGOEPY-UHFFFAOYSA-N 0 0 443.529 2.693 50 0 IFAARN Cc1ccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1C ZINC000064889191 568980305 /nfs/dbraw/zinc/98/03/05/568980305.db2.gz VVLBLRQRIMLFCH-UHFFFAOYSA-N 0 0 427.530 2.861 50 0 IFAARN COc1ccc(C)cc1NC(=O)CCn1nc(C(=O)N2CCc3ccccc32)ccc1=O ZINC000064891717 568982707 /nfs/dbraw/zinc/98/27/07/568982707.db2.gz TYPPBJLNCPWQGD-UHFFFAOYSA-N 0 0 432.480 2.792 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)NCc2ccc(F)cc2)n1 ZINC000064892179 568982926 /nfs/dbraw/zinc/98/29/26/568982926.db2.gz OJNLUMLTJOYCGK-MRXNPFEDSA-N 0 0 434.471 2.680 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1C ZINC000064920831 568985491 /nfs/dbraw/zinc/98/54/91/568985491.db2.gz KATIKMBVHDHWER-GOSISDBHSA-N 0 0 443.525 2.735 50 0 IFAARN Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000064920913 568985601 /nfs/dbraw/zinc/98/56/01/568985601.db2.gz JFTBTDYREKFJSY-KRWDZBQOSA-N 0 0 447.488 2.565 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1)O[C@H](C)C(=O)N2 ZINC000064920983 568985682 /nfs/dbraw/zinc/98/56/82/568985682.db2.gz UDEJZKSQDKFBPF-CXAGYDPISA-N 0 0 447.488 2.645 50 0 IFAARN Cc1c(S(=O)(=O)NCc2cccc(Br)c2)cc(C(=O)N2CCCC2)n1C ZINC000064922173 568985768 /nfs/dbraw/zinc/98/57/68/568985768.db2.gz AWXJVNLKNZGYIQ-UHFFFAOYSA-N 0 0 440.363 2.811 50 0 IFAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2NC1=O ZINC000064921818 568985773 /nfs/dbraw/zinc/98/57/73/568985773.db2.gz QKSCPQUEMSQOHS-LJQANCHMSA-N 0 0 449.573 2.599 50 0 IFAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2NC1=O ZINC000064921820 568985804 /nfs/dbraw/zinc/98/58/04/568985804.db2.gz QKSCPQUEMSQOHS-IBGZPJMESA-N 0 0 449.573 2.599 50 0 IFAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)cc4)CC3)cc2NC1=O ZINC000064921555 568986525 /nfs/dbraw/zinc/98/65/25/568986525.db2.gz GALCBEPEABXCCL-ZDUSSCGKSA-N 0 0 447.488 2.585 50 0 IFAARN CCOC(=O)CNC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000064930719 568989049 /nfs/dbraw/zinc/98/90/49/568989049.db2.gz LILBLWBRIDBSSH-ZDUSSCGKSA-N 0 0 437.909 2.853 50 0 IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@@H](O)COCC(C)C ZINC000169677931 568990567 /nfs/dbraw/zinc/99/05/67/568990567.db2.gz SHOOZTIESVXCAN-HZPDHXFCSA-N 0 0 437.606 2.591 50 0 IFAARN CC(C)CN(C[C@@H]1CN(C[C@@H](O)COCc2ccco2)CCO1)C(=O)Cc1ccccc1 ZINC000169681293 568992050 /nfs/dbraw/zinc/99/20/50/568992050.db2.gz JKRYMSOYUFSDGP-VWNXMTODSA-N 0 0 444.572 2.585 50 0 IFAARN CCN1CCN(C(=O)c2ccc3c(c2)n(Cc2cccc(F)c2)c(=O)c2ccnn23)CC1 ZINC000169681208 568992820 /nfs/dbraw/zinc/99/28/20/568992820.db2.gz ZQWRPAIBDHXGJK-UHFFFAOYSA-N 0 0 433.487 2.614 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1nc2c3c(C)c(C)sc3ncn2c1=O ZINC000064945532 568992912 /nfs/dbraw/zinc/99/29/12/568992912.db2.gz FMGISUJLZOJPNZ-UHFFFAOYSA-N 0 0 425.470 2.538 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3ccccc3F)n2)cc1 ZINC000064943797 568993092 /nfs/dbraw/zinc/99/30/92/568993092.db2.gz WMDKLVYXGOJHJG-UHFFFAOYSA-N 0 0 429.473 2.977 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CC3)n2)cc1 ZINC000064946906 568993783 /nfs/dbraw/zinc/99/37/83/568993783.db2.gz RGCXHFKBMGJEPC-UHFFFAOYSA-N 0 0 442.453 2.713 50 0 IFAARN CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1CNC(=O)Cc1ccccc1 ZINC000006802172 568995458 /nfs/dbraw/zinc/99/54/58/568995458.db2.gz PKGJVPFUMILFLU-IBGZPJMESA-N 0 0 427.570 2.856 50 0 IFAARN O=C(NC[C@@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000036310536 568996656 /nfs/dbraw/zinc/99/66/56/568996656.db2.gz IJKYBEFNQJYUMO-LEWJYISDSA-N 0 0 432.540 2.829 50 0 IFAARN O=C(Nc1cccc(Cl)c1)N1CCN([C@@H](C(=O)N2CCOCC2)C2CCCC2)CC1 ZINC000036310722 568996695 /nfs/dbraw/zinc/99/66/95/568996695.db2.gz GFJMOYMLAJAEGW-HXUWFJFHSA-N 0 0 434.968 2.907 50 0 IFAARN COc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3cccc(SC)c3)S2(=O)=O)cc1 ZINC000064951833 568997157 /nfs/dbraw/zinc/99/71/57/568997157.db2.gz ANZWBKBNQRKKFN-UHFFFAOYSA-N 0 0 432.523 2.959 50 0 IFAARN CCOC(=O)CCC(=O)N1CCN([C@H](C(=O)Nc2cccc(OC)c2)C2CCCC2)CC1 ZINC000036311725 568998276 /nfs/dbraw/zinc/99/82/76/568998276.db2.gz IKXDUTNUGXWJFA-QHCPKHFHSA-N 0 0 445.560 2.680 50 0 IFAARN COc1ccccc1N1CCN(c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(=O)[nH]2)CC1 ZINC000036314051 568998936 /nfs/dbraw/zinc/99/89/36/568998936.db2.gz XVAVGIRFXBEKHG-KRWDZBQOSA-N 0 0 433.512 2.596 50 0 IFAARN COc1ccc(NC(=O)NCCn2nnc3cc(C(=O)N4CCCC4)ccc32)cc1OC ZINC000064956947 568999350 /nfs/dbraw/zinc/99/93/50/568999350.db2.gz QDKZOCDHJSUOBP-UHFFFAOYSA-N 0 0 438.488 2.506 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000064959967 568999992 /nfs/dbraw/zinc/99/99/92/568999992.db2.gz UUYBRTHMQZWUFT-HNNXBMFYSA-N 0 0 443.403 2.551 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1C ZINC000169684193 569000023 /nfs/dbraw/zinc/00/00/23/569000023.db2.gz AHCYLTLRBWYDOL-BEFAXECRSA-N 0 0 443.525 2.815 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)cc1 ZINC000064965715 569000872 /nfs/dbraw/zinc/00/08/72/569000872.db2.gz GIHUPGYIVKHBBM-UHFFFAOYSA-N 0 0 445.928 2.643 50 0 IFAARN CC(C)CCNC(=O)CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000064966750 569001543 /nfs/dbraw/zinc/00/15/43/569001543.db2.gz ARPYZBWPJACMEW-FQEVSTJZSA-N 0 0 426.561 2.790 50 0 IFAARN CC(C)CCNC(=O)CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@@H]2C1=O ZINC000064966748 569001609 /nfs/dbraw/zinc/00/16/09/569001609.db2.gz ARPYZBWPJACMEW-HXUWFJFHSA-N 0 0 426.561 2.790 50 0 IFAARN Cc1ccc(Cc2nnc(CCNS(=O)(=O)c3ccc(Br)cc3)[nH]2)cc1 ZINC000064969618 569076269 /nfs/dbraw/zinc/07/62/69/569076269.db2.gz VNOUQWKUPXQVBW-UHFFFAOYSA-N 0 0 435.347 2.987 50 0 IFAARN COc1ccc(OC)c(CNC(=O)Cn2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)c1 ZINC000064970774 569076436 /nfs/dbraw/zinc/07/64/36/569076436.db2.gz VWQYMKIDDXALDX-UHFFFAOYSA-N 0 0 447.495 2.533 50 0 IFAARN CC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(-c3noc(C)n3)ccc2C)cc1 ZINC000064977734 569077625 /nfs/dbraw/zinc/07/76/25/569077625.db2.gz MYPVOVJAPKOTBN-UHFFFAOYSA-N 0 0 442.497 2.815 50 0 IFAARN COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCN(C)CC2)c(OC)c1 ZINC000036343210 569079612 /nfs/dbraw/zinc/07/96/12/569079612.db2.gz VBQDISHIQCDOHR-QFIPXVFZSA-N 0 0 440.519 2.768 50 0 IFAARN CCN(CC)C(=O)[C@@H](NC(=O)CC(C)C)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000036347071 569081531 /nfs/dbraw/zinc/08/15/31/569081531.db2.gz TVQYASSPIZSTKS-QFIPXVFZSA-N 0 0 431.577 2.947 50 0 IFAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccco3)Oc3cc(C)ccc32)cc1 ZINC000064986402 569082315 /nfs/dbraw/zinc/08/23/15/569082315.db2.gz JBMIBYHCCZGKKG-NRFANRHFSA-N 0 0 442.493 2.869 50 0 IFAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3cccnc3)Oc3cc(C)ccc32)cc1 ZINC000064986417 569082372 /nfs/dbraw/zinc/08/23/72/569082372.db2.gz LJWUVUXNPWTFEE-OAQYLSRUSA-N 0 0 439.493 2.994 50 0 IFAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000064986222 569082379 /nfs/dbraw/zinc/08/23/79/569082379.db2.gz BFDMFCOYYKTBOP-JOCHJYFZSA-N 0 0 438.505 2.968 50 0 IFAARN CCOc1ccc(C(=O)NCc2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000064991229 569083574 /nfs/dbraw/zinc/08/35/74/569083574.db2.gz BRICABZZFFNPDQ-UHFFFAOYSA-N 0 0 426.454 2.848 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 ZINC000036352722 569083914 /nfs/dbraw/zinc/08/39/14/569083914.db2.gz GUVAERQISXALRH-GFCCVEGCSA-N 0 0 439.896 2.721 50 0 IFAARN O=C(NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1)NCc1ccc(F)cc1 ZINC000064991518 569084590 /nfs/dbraw/zinc/08/45/90/569084590.db2.gz YHECQXVDFABVJI-UHFFFAOYSA-N 0 0 429.433 2.658 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccccc3F)s2)cc1 ZINC000064991793 569084888 /nfs/dbraw/zinc/08/48/88/569084888.db2.gz WLKYUJSDVYPFII-UHFFFAOYSA-N 0 0 434.474 2.611 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000065007419 569087636 /nfs/dbraw/zinc/08/76/36/569087636.db2.gz AUSDLFBWEMYXAF-UHFFFAOYSA-N 0 0 429.542 2.866 50 0 IFAARN Cc1ccc(CNc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)nn2)o1 ZINC000065009485 569087994 /nfs/dbraw/zinc/08/79/94/569087994.db2.gz IOQWPGWALGKCBG-UHFFFAOYSA-N 0 0 428.514 2.986 50 0 IFAARN O=C(c1ccco1)N1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1 ZINC000065009778 569088105 /nfs/dbraw/zinc/08/81/05/569088105.db2.gz VZWHHGJBVCFZBH-UHFFFAOYSA-N 0 0 448.526 2.805 50 0 IFAARN CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)NCC3CC3)c1)NC(=O)CCC2=O ZINC000065011146 569088363 /nfs/dbraw/zinc/08/83/63/569088363.db2.gz ZYYMODGAXOEBEX-UHFFFAOYSA-N 0 0 430.530 2.872 50 0 IFAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)CC1 ZINC000065021214 569088806 /nfs/dbraw/zinc/08/88/06/569088806.db2.gz ZQUVFBDQIKUDTF-UHFFFAOYSA-N 0 0 434.558 2.685 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)cc2sc1=O ZINC000065022121 569089144 /nfs/dbraw/zinc/08/91/44/569089144.db2.gz SQGZNWQJZBHNFK-UHFFFAOYSA-N 0 0 437.587 2.542 50 0 IFAARN CC(C)n1c(=O)cc(N2CCCN(C(=O)Cc3ccc(F)cc3)CC2)n(C(C)C)c1=O ZINC000065024443 569089644 /nfs/dbraw/zinc/08/96/44/569089644.db2.gz XVPHRVTYHVXQOK-UHFFFAOYSA-N 0 0 430.524 2.592 50 0 IFAARN CC(C)n1c(=O)cc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)n(C(C)C)c1=O ZINC000065024381 569089646 /nfs/dbraw/zinc/08/96/46/569089646.db2.gz DYNWBQJFRFWLPH-UHFFFAOYSA-N 0 0 432.952 2.717 50 0 IFAARN Cc1ccc(C)c(NC(=O)NCCn2nnc3cc(S(=O)(=O)NC(C)C)ccc32)c1 ZINC000065029981 569091181 /nfs/dbraw/zinc/09/11/81/569091181.db2.gz NIQASOYCTPVTRR-UHFFFAOYSA-N 0 0 430.534 2.557 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1cccc(Cl)c1 ZINC000065029976 569091225 /nfs/dbraw/zinc/09/12/25/569091225.db2.gz HWOLFLDXIHZKRJ-UHFFFAOYSA-N 0 0 436.925 2.593 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2sc1=O ZINC000065032954 569091678 /nfs/dbraw/zinc/09/16/78/569091678.db2.gz DHJNVIGFTNBBLV-UHFFFAOYSA-N 0 0 445.566 2.620 50 0 IFAARN COc1ccc(CNC(=O)CN2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)cc1OC ZINC000065034863 569092032 /nfs/dbraw/zinc/09/20/32/569092032.db2.gz CICMHIKUMBGTRM-UHFFFAOYSA-N 0 0 435.524 2.837 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(n3cnc4ccc(F)cc4c3=O)CC2)cc1OC ZINC000065034597 569092122 /nfs/dbraw/zinc/09/21/22/569092122.db2.gz XPQTVEDLAAHKMC-UHFFFAOYSA-N 0 0 447.488 2.579 50 0 IFAARN C[C@H]1Oc2c(cccc2C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)[C@H]1C ZINC000036387060 569093169 /nfs/dbraw/zinc/09/31/69/569093169.db2.gz UUILXVLLKFPRLU-JKSUJKDBSA-N 0 0 429.542 2.759 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O ZINC000169752456 569093303 /nfs/dbraw/zinc/09/33/03/569093303.db2.gz NIFKKYDGSDKHKL-UHFFFAOYSA-N 0 0 436.443 2.832 50 0 IFAARN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(OC)cc1 ZINC000036386928 569093349 /nfs/dbraw/zinc/09/33/49/569093349.db2.gz KYCYQLZIPUKUKC-NRFANRHFSA-N 0 0 431.558 2.512 50 0 IFAARN COc1ccc(CN2C=C(C(=O)OCc3ccccc3OC)C(C)=NS2(=O)=O)cc1 ZINC000169755184 569093499 /nfs/dbraw/zinc/09/34/99/569093499.db2.gz FKIARZUKHKYPJK-UHFFFAOYSA-N 0 0 430.482 2.852 50 0 IFAARN COc1cccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccccc3Cl)NC2=O)c1 ZINC000169758009 569094280 /nfs/dbraw/zinc/09/42/80/569094280.db2.gz MJSPBZSSUGDCGY-LJQANCHMSA-N 0 0 427.844 2.865 50 0 IFAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2cccc(C(C)=O)c2)C2=C1C(=O)OC2 ZINC000169758164 569094335 /nfs/dbraw/zinc/09/43/35/569094335.db2.gz YZSATJXVBITRPN-JOCHJYFZSA-N 0 0 449.463 2.804 50 0 IFAARN O=C(NCC1CC1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000169758605 569094422 /nfs/dbraw/zinc/09/44/22/569094422.db2.gz KJDMJYNPUQNVJU-HXUWFJFHSA-N 0 0 426.492 2.672 50 0 IFAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@@H](c2ccc4c(c2)OCO4)OC3)cc1OC ZINC000169759868 569094655 /nfs/dbraw/zinc/09/46/55/569094655.db2.gz KMVRSOLENJBEFN-QFIPXVFZSA-N 0 0 437.452 2.831 50 0 IFAARN CSc1ccc(CNC(=O)CCc2nc3onc(C)c3c(N3CCOCC3)n2)cc1 ZINC000065056502 569094917 /nfs/dbraw/zinc/09/49/17/569094917.db2.gz SHVQLHGKCWQKMB-UHFFFAOYSA-N 0 0 427.530 2.734 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3cccc(F)c3)C2)cc1 ZINC000065059623 569096211 /nfs/dbraw/zinc/09/62/11/569096211.db2.gz ZBCOVAFYUYYZKE-QFIPXVFZSA-N 0 0 447.532 2.891 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3cccc(F)c3)C2)cc1 ZINC000065059622 569096220 /nfs/dbraw/zinc/09/62/20/569096220.db2.gz ZBCOVAFYUYYZKE-JOCHJYFZSA-N 0 0 447.532 2.891 50 0 IFAARN CCc1nc(-c2c(=O)n(Cc3ccc(OC(F)(F)F)cc3)c(=O)n3c2CCCC3)no1 ZINC000169763918 569096621 /nfs/dbraw/zinc/09/66/21/569096621.db2.gz LJYYLLVJQKLNIG-UHFFFAOYSA-N 0 0 436.390 2.906 50 0 IFAARN COc1cccc(CNC(=O)c2csc(-c3ccnc(N4CCOCC4)c3)n2)c1OC ZINC000065062634 569097167 /nfs/dbraw/zinc/09/71/67/569097167.db2.gz JTGCPLBYAUFVPA-UHFFFAOYSA-N 0 0 440.525 2.989 50 0 IFAARN CC(=O)N1CCC(c2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)CC1 ZINC000169769264 569097991 /nfs/dbraw/zinc/09/79/91/569097991.db2.gz SDUGQKHNWRNDMA-KRWDZBQOSA-N 0 0 428.880 2.979 50 0 IFAARN C[C@H]1CN(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)C[C@H](C)O1 ZINC000036391745 569098221 /nfs/dbraw/zinc/09/82/21/569098221.db2.gz MWGSFESCWRAPKO-STQMWFEESA-N 0 0 426.926 2.708 50 0 IFAARN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000036393790 569098568 /nfs/dbraw/zinc/09/85/68/569098568.db2.gz USEFMJOSVYTHEC-UHFFFAOYSA-N 0 0 445.523 2.625 50 0 IFAARN Cc1c(=O)c2cccc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)c2oc1-c1ccccc1 ZINC000036395131 569098713 /nfs/dbraw/zinc/09/87/13/569098713.db2.gz GJLPHXSHBHSVCQ-UHFFFAOYSA-N 0 0 445.519 2.805 50 0 IFAARN O=C(COc1ccccc1Cl)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000036394944 569098732 /nfs/dbraw/zinc/09/87/32/569098732.db2.gz JITOCNYOHMRWCR-KRWDZBQOSA-N 0 0 432.904 2.709 50 0 IFAARN Cc1ccccc1Cc1nc(-c2ccc3c(c2)nnn3CCC(=O)N2CCOCC2)no1 ZINC000065076079 569099961 /nfs/dbraw/zinc/09/99/61/569099961.db2.gz HPSVGDRDYWWWMS-UHFFFAOYSA-N 0 0 432.484 2.629 50 0 IFAARN Cc1ccc(Cc2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCOCC3)no2)cc1 ZINC000065076091 569100021 /nfs/dbraw/zinc/10/00/21/569100021.db2.gz MFIBEDRZWLKEJF-UHFFFAOYSA-N 0 0 432.484 2.629 50 0 IFAARN COc1cccc(CNC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000065077426 569100322 /nfs/dbraw/zinc/10/03/22/569100322.db2.gz HWAXBIYAKJXXMN-AWEZNQCLSA-N 0 0 448.566 2.998 50 0 IFAARN COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077082 569100401 /nfs/dbraw/zinc/10/04/01/569100401.db2.gz AZYKCFIZTJSVHZ-UHFFFAOYSA-N 0 0 434.539 2.610 50 0 IFAARN COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1 ZINC000065078222 569100554 /nfs/dbraw/zinc/10/05/54/569100554.db2.gz LJBTUCUSIYNQNL-CQSZACIVSA-N 0 0 448.566 2.856 50 0 IFAARN CC[C@@H](C)NC(=O)CN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2CCCC1=O ZINC000065078704 569100598 /nfs/dbraw/zinc/10/05/98/569100598.db2.gz ZEKVLZUCTMDIGC-QGZVFWFLSA-N 0 0 435.590 2.691 50 0 IFAARN CC(C)CCNC(=O)CN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2CCCC1=O ZINC000065078772 569100638 /nfs/dbraw/zinc/10/06/38/569100638.db2.gz VQBQWDYRPXHZKQ-UHFFFAOYSA-N 0 0 449.617 2.939 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3CC(=O)NC(C)(C)C)CC1 ZINC000065078707 569100650 /nfs/dbraw/zinc/10/06/50/569100650.db2.gz MYIZUKNJCKKECF-UHFFFAOYSA-N 0 0 435.590 2.691 50 0 IFAARN Cc1ccc(C)c(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000036398667 569101507 /nfs/dbraw/zinc/10/15/07/569101507.db2.gz DFJAOBYXQLSUOW-UHFFFAOYSA-N 0 0 427.570 2.737 50 0 IFAARN COc1cccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c1OC ZINC000169775629 569101891 /nfs/dbraw/zinc/10/18/91/569101891.db2.gz SHYQWMCCWYIADF-UHFFFAOYSA-N 0 0 436.443 2.749 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cc(OC)cc(OC)c4)ccn3n2)cc1 ZINC000169775868 569101921 /nfs/dbraw/zinc/10/19/21/569101921.db2.gz ZDFRHPMZGBMNEE-UHFFFAOYSA-N 0 0 448.479 2.619 50 0 IFAARN C[C@H](C(=O)N(C)c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000036407962 569103084 /nfs/dbraw/zinc/10/30/84/569103084.db2.gz AIEOCZJJBPNJSP-GOSISDBHSA-N 0 0 427.570 2.533 50 0 IFAARN CC[C@@H](C)NC(=O)CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C(C)C)CC1 ZINC000065086049 569103219 /nfs/dbraw/zinc/10/32/19/569103219.db2.gz ULEWRBACSGRTHV-OAHLLOKOSA-N 0 0 437.562 2.881 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N3CCC(CC(=O)NC(C)(C)C)CC3)cc2oc1=O ZINC000065086176 569103305 /nfs/dbraw/zinc/10/33/05/569103305.db2.gz YWXMJDIBWXAIHX-UHFFFAOYSA-N 0 0 437.562 2.710 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(F)c3F)CC2)c1 ZINC000036408705 569103381 /nfs/dbraw/zinc/10/33/81/569103381.db2.gz VPVREPGZZHZBFP-UHFFFAOYSA-N 0 0 441.475 2.666 50 0 IFAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(OC)c4OC)ccn3n2)c1 ZINC000169781420 569103385 /nfs/dbraw/zinc/10/33/85/569103385.db2.gz YMIIVQBKJKATOR-UHFFFAOYSA-N 0 0 448.479 2.619 50 0 IFAARN Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000065097645 569103936 /nfs/dbraw/zinc/10/39/36/569103936.db2.gz MXIBFIRSKAPFHK-UHFFFAOYSA-N 0 0 446.554 2.864 50 0 IFAARN Cc1sc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000065097752 569103963 /nfs/dbraw/zinc/10/39/63/569103963.db2.gz GDMYMTPOIIBELV-UHFFFAOYSA-N 0 0 448.526 2.688 50 0 IFAARN Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)NCc1cccs1 ZINC000065097664 569104033 /nfs/dbraw/zinc/10/40/33/569104033.db2.gz FCIOACXPLYWKKS-UHFFFAOYSA-N 0 0 438.556 2.883 50 0 IFAARN COc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4cccc(F)c4)c(=O)n3c2)cc1 ZINC000065100126 569104903 /nfs/dbraw/zinc/10/49/03/569104903.db2.gz OMXRUAQUANEQSA-UHFFFAOYSA-N 0 0 435.415 2.535 50 0 IFAARN COc1ccc(CNC(=O)CSc2nnc(-c3nc(-c4ccccc4)no3)n2C)cc1 ZINC000065100106 569104943 /nfs/dbraw/zinc/10/49/43/569104943.db2.gz JGNAVDLWMABMGP-UHFFFAOYSA-N 0 0 436.497 2.949 50 0 IFAARN CCc1ccc(NC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)cc1 ZINC000065100233 569105434 /nfs/dbraw/zinc/10/54/34/569105434.db2.gz PYLJFJPVLXKSFS-UHFFFAOYSA-N 0 0 429.480 2.627 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)cc1F ZINC000065100230 569105452 /nfs/dbraw/zinc/10/54/52/569105452.db2.gz NJYUVFCEHMQZBE-UHFFFAOYSA-N 0 0 433.443 2.512 50 0 IFAARN Cc1ccc(C)c(NC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)c1 ZINC000065100300 569105474 /nfs/dbraw/zinc/10/54/74/569105474.db2.gz DEZHICVIAAJTDZ-UHFFFAOYSA-N 0 0 429.480 2.682 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)Nc4cccc(C)c4C)c(=O)n3c2)cc1 ZINC000065100383 569105585 /nfs/dbraw/zinc/10/55/85/569105585.db2.gz QAABTNWVLJKSDT-UHFFFAOYSA-N 0 0 443.507 2.990 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)NCCC4=CCCCC4)c(=O)n3c2)cc1 ZINC000065100367 569105587 /nfs/dbraw/zinc/10/55/87/569105587.db2.gz FTLLOWWIYGLZIE-UHFFFAOYSA-N 0 0 447.539 2.741 50 0 IFAARN CCSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)N1CCCC1 ZINC000065100802 569105602 /nfs/dbraw/zinc/10/56/02/569105602.db2.gz WHZIRUWWHAASQE-UHFFFAOYSA-N 0 0 430.555 2.652 50 0 IFAARN COCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000006904461 569105829 /nfs/dbraw/zinc/10/58/29/569105829.db2.gz GQCIPTBCRVYPEF-UHFFFAOYSA-N 0 0 426.922 2.697 50 0 IFAARN CC(C)CNC(=O)CCc1nc2ccccc2n(CC(=O)NCc2ccc(F)cc2)c1=O ZINC000065101674 569105936 /nfs/dbraw/zinc/10/59/36/569105936.db2.gz RHXXLGPOTGEPBV-UHFFFAOYSA-N 0 0 438.503 2.557 50 0 IFAARN CCc1ccccc1N(C)S(=O)(=O)c1ccc2onc(C(=O)N3CCOCC3)c2c1 ZINC000065115488 569106838 /nfs/dbraw/zinc/10/68/38/569106838.db2.gz VIYGOIKWORFPNA-UHFFFAOYSA-N 0 0 429.498 2.688 50 0 IFAARN CCN(CCCNC(=O)c1nc(Cn2c3cc(C)ccc3oc2=O)no1)c1ccccc1 ZINC000065111751 569107763 /nfs/dbraw/zinc/10/77/63/569107763.db2.gz FOMMDJDULXAKTD-UHFFFAOYSA-N 0 0 435.484 2.981 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCC4)C3)c(C)cc2NC1=O ZINC000169793960 569108361 /nfs/dbraw/zinc/10/83/61/569108361.db2.gz LMIYEPVMDHMWTK-QAPCUYQASA-N 0 0 449.573 2.564 50 0 IFAARN CCOc1ccc([C@H](C)NC(=O)c2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1 ZINC000065113989 569108583 /nfs/dbraw/zinc/10/85/83/569108583.db2.gz VAFMMKOOXXTWCV-AWEZNQCLSA-N 0 0 444.513 2.877 50 0 IFAARN Cc1ccc(CNC(=O)c2nnc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)o2)o1 ZINC000065113878 569108603 /nfs/dbraw/zinc/10/86/03/569108603.db2.gz RMGOWMPJGAZXIA-UHFFFAOYSA-N 0 0 444.513 2.989 50 0 IFAARN COc1cccc(CNC(=O)c2nsc(C(=O)NCc3cc(F)cc(F)c3)c2N)c1 ZINC000065118387 569109089 /nfs/dbraw/zinc/10/90/89/569109089.db2.gz FKWHIWFRWMYAEC-UHFFFAOYSA-N 0 0 432.452 2.872 50 0 IFAARN COc1ccccc1NC(=O)CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1 ZINC000065131508 569109429 /nfs/dbraw/zinc/10/94/29/569109429.db2.gz UEFMFCQJHBUBEJ-HNNXBMFYSA-N 0 0 441.557 2.711 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1)NCc1ccc(F)cc1 ZINC000065131717 569109604 /nfs/dbraw/zinc/10/96/04/569109604.db2.gz DLPRRUQKIKRSRW-INIZCTEOSA-N 0 0 443.548 2.519 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)NCc3ccc(C)cc3)nn2)C1 ZINC000065131998 569109695 /nfs/dbraw/zinc/10/96/95/569109695.db2.gz PIAXIEIBWWFQBT-LJQANCHMSA-N 0 0 441.601 2.936 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1)Nc1cc(F)cc(F)c1 ZINC000065131868 569109702 /nfs/dbraw/zinc/10/97/02/569109702.db2.gz JYLOHHNACLOSRP-ZDUSSCGKSA-N 0 0 447.511 2.981 50 0 IFAARN CCc1ccc(NC(=O)Cn2nc3c(N4CCc5ccccc5C4)nccn3c2=O)cc1 ZINC000065151566 569111340 /nfs/dbraw/zinc/11/13/40/569111340.db2.gz ULZABHCDOCAUMR-UHFFFAOYSA-N 0 0 428.496 2.655 50 0 IFAARN COc1ccc(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1OC ZINC000036451897 569111371 /nfs/dbraw/zinc/11/13/71/569111371.db2.gz JJQJLDSKUXVTMH-UHFFFAOYSA-N 0 0 425.529 2.646 50 0 IFAARN Cc1cc(C)cc(NC(=O)Cn2nc3c(N4CCc5ccccc5C4)nccn3c2=O)c1 ZINC000065151562 569111388 /nfs/dbraw/zinc/11/13/88/569111388.db2.gz NKKCFIJGPOQJAE-UHFFFAOYSA-N 0 0 428.496 2.709 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4Cl)nccn3c2=O)cc1 ZINC000065150863 569111443 /nfs/dbraw/zinc/11/14/43/569111443.db2.gz OTLNJVRGYLHUTG-UHFFFAOYSA-N 0 0 425.832 2.984 50 0 IFAARN CCn1cc(C(=O)Nc2ccc(C(=O)OC)cc2)c(S(=O)(=O)N2CCCCCC2)n1 ZINC000065152607 569111961 /nfs/dbraw/zinc/11/19/61/569111961.db2.gz ZLGOKWMXRXAFND-UHFFFAOYSA-N 0 0 434.518 2.507 50 0 IFAARN CCn1cc(CCN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c2cccnc21 ZINC000065164845 569112971 /nfs/dbraw/zinc/11/29/71/569112971.db2.gz PNZYAWVUPHFJJR-UHFFFAOYSA-N 0 0 434.512 2.883 50 0 IFAARN O=C(Cn1c2csnc2c(=O)n(Cc2ccccc2)c1=O)Nc1ccc(F)cc1F ZINC000065184880 569114047 /nfs/dbraw/zinc/11/40/47/569114047.db2.gz ANWFDYPPARARFZ-UHFFFAOYSA-N 0 0 428.420 2.585 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2c3csnc3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000065184883 569114081 /nfs/dbraw/zinc/11/40/81/569114081.db2.gz CJAOXULUHCEJES-UHFFFAOYSA-N 0 0 434.477 2.509 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)Nc4ccc(OC)cc4OC)c(=O)n3c(C)n2)cc1 ZINC000065196649 569115766 /nfs/dbraw/zinc/11/57/66/569115766.db2.gz GCNIGUNKBBRGOQ-UHFFFAOYSA-N 0 0 449.467 2.531 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)N[C@@H](C)c4ccccc4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197170 569116024 /nfs/dbraw/zinc/11/60/24/569116024.db2.gz DUJCLFFPSLSWDT-HNNXBMFYSA-N 0 0 430.464 2.584 50 0 IFAARN Cc1ccccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccccc2)c1=O ZINC000065212447 569116768 /nfs/dbraw/zinc/11/67/68/569116768.db2.gz JHPLEQDJEUBAFF-UHFFFAOYSA-N 0 0 425.510 2.582 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N(C)Cc3ccccc3)c2=O)cc1 ZINC000065212562 569116770 /nfs/dbraw/zinc/11/67/70/569116770.db2.gz SBXZLJUPLGJNRI-UHFFFAOYSA-N 0 0 439.537 2.925 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1 ZINC000065212455 569116783 /nfs/dbraw/zinc/11/67/83/569116783.db2.gz YPPDJEHFCNIHAL-UHFFFAOYSA-N 0 0 445.928 2.927 50 0 IFAARN COc1ccc(Cl)cc1C(=O)N[C@@H](C(=O)N1CCN(c2ccccn2)CC1)C(C)C ZINC000065212973 569116891 /nfs/dbraw/zinc/11/68/91/569116891.db2.gz UEQDGMWLLWXIGS-HXUWFJFHSA-N 0 0 430.936 2.847 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3ncccc3-c3noc(CC)n3)C2)CC1 ZINC000065227738 569117506 /nfs/dbraw/zinc/11/75/06/569117506.db2.gz LYFIXUSHDQCKKZ-QGZVFWFLSA-N 0 0 441.532 2.712 50 0 IFAARN O=C(Nc1ccc2c(c1)CCC2)N1C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H](C1)O2 ZINC000065225184 569117805 /nfs/dbraw/zinc/11/78/05/569117805.db2.gz ZEASXGVPXUALSZ-BGYRXZFFSA-N 0 0 445.516 2.620 50 0 IFAARN CN(C)c1ncncc1N1CCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000065226226 569117826 /nfs/dbraw/zinc/11/78/26/569117826.db2.gz WIIUEWPMWNWJDG-UHFFFAOYSA-N 0 0 428.968 2.761 50 0 IFAARN CCOc1ccc([C@@H](C)NC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1 ZINC000065226786 569118039 /nfs/dbraw/zinc/11/80/39/569118039.db2.gz VOBCYLGRDUCWGV-GOSISDBHSA-N 0 0 439.560 2.806 50 0 IFAARN Cc1ccc([C@H](C)NC(=O)C2CCN(c3cncnc3N3CCN(C)CC3)CC2)c(C)c1 ZINC000065226915 569118052 /nfs/dbraw/zinc/11/80/52/569118052.db2.gz BTKHXVUOLVPGPF-FQEVSTJZSA-N 0 0 436.604 2.939 50 0 IFAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3ncccc3-c3noc(C)n3)CC2)c1 ZINC000065227579 569118161 /nfs/dbraw/zinc/11/81/61/569118161.db2.gz BCJJTWKFTANTCP-UHFFFAOYSA-N 0 0 437.500 2.990 50 0 IFAARN COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000036569598 569118315 /nfs/dbraw/zinc/11/83/15/569118315.db2.gz WKJPWCYMCSOQII-PXNSSMCTSA-N 0 0 438.509 2.989 50 0 IFAARN O=C(CCC(=O)c1ccc(F)cc1)Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1 ZINC000065231840 569118465 /nfs/dbraw/zinc/11/84/65/569118465.db2.gz LWUIKKPGGMZJCK-UHFFFAOYSA-N 0 0 440.504 2.956 50 0 IFAARN COC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000036597053 569118738 /nfs/dbraw/zinc/11/87/38/569118738.db2.gz JNYSSHBMTUEGSF-MRXNPFEDSA-N 0 0 428.514 2.521 50 0 IFAARN CCCN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(CCC)c2ncccc2O3)CC1 ZINC000065241591 569118804 /nfs/dbraw/zinc/11/88/04/569118804.db2.gz DPIULTXPJVFGFG-UHFFFAOYSA-N 0 0 444.557 2.960 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCC[C@H](C)C5)n4)ccn3n2)cc1 ZINC000065235975 569119322 /nfs/dbraw/zinc/11/93/22/569119322.db2.gz PGMOITFDMHQBCX-INIZCTEOSA-N 0 0 434.500 2.835 50 0 IFAARN C=C1C(N2CCC(NC(=O)c3ccnn3CC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239203 569120076 /nfs/dbraw/zinc/12/00/76/569120076.db2.gz HLLXZCGIJSKYFW-UHFFFAOYSA-N 0 0 441.557 2.579 50 0 IFAARN C=C1C(N2CCCN(C(=O)[C@H]3CCCO3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239273 569120359 /nfs/dbraw/zinc/12/03/59/569120359.db2.gz OHYBAIGCHOXDCX-QGZVFWFLSA-N 0 0 437.949 2.526 50 0 IFAARN CCn1cc(Br)c(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000036614679 569122285 /nfs/dbraw/zinc/12/22/85/569122285.db2.gz SLCJRPQNXSHGHS-UHFFFAOYSA-N 0 0 441.351 2.613 50 0 IFAARN C=C1C(N2CCCN(C(=O)c3ccncc3)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239524 569120606 /nfs/dbraw/zinc/12/06/06/569120606.db2.gz ZGXWAGPALZINLB-UHFFFAOYSA-N 0 0 438.553 2.965 50 0 IFAARN COc1cccc(NC(=O)CN2CN(c3ccc(F)cc3)c3ncccc3S2(=O)=O)c1 ZINC000065240189 569120692 /nfs/dbraw/zinc/12/06/92/569120692.db2.gz UHDKMEPOTIHAFM-UHFFFAOYSA-N 0 0 442.472 2.968 50 0 IFAARN O=C(CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)NCc1ccccc1 ZINC000065240186 569120759 /nfs/dbraw/zinc/12/07/59/569120759.db2.gz CQTOKTHXEUVAFJ-UHFFFAOYSA-N 0 0 426.473 2.637 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc2c(c1)OCO2 ZINC000036589768 569121120 /nfs/dbraw/zinc/12/11/20/569121120.db2.gz BNRCGFXRASFFRO-GCJKJVERSA-N 0 0 448.479 2.580 50 0 IFAARN COc1ccccc1CCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000036589905 569121124 /nfs/dbraw/zinc/12/11/24/569121124.db2.gz MHYFMOLJWVSSQA-FGZHOGPDSA-N 0 0 442.581 2.876 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)c(F)c1F ZINC000036593119 569121268 /nfs/dbraw/zinc/12/12/68/569121268.db2.gz VOVOQNHZKKWNCL-CXAGYDPISA-N 0 0 442.463 2.779 50 0 IFAARN CCc1nnc(-c2coc(S(=O)(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c2)o1 ZINC000065246561 569121771 /nfs/dbraw/zinc/12/17/71/569121771.db2.gz HYWLKUMQCZKTBX-UHFFFAOYSA-N 0 0 430.486 2.606 50 0 IFAARN O=C(NCc1ccc(Br)cc1)c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000065245992 569121825 /nfs/dbraw/zinc/12/18/25/569121825.db2.gz FXIUPSXSOUFZHD-UHFFFAOYSA-N 0 0 444.289 2.661 50 0 IFAARN O=S(=O)(c1cc(-c2nnc(C3CCCC3)o2)co1)N1CCN(c2ccccn2)CC1 ZINC000065246686 569121874 /nfs/dbraw/zinc/12/18/74/569121874.db2.gz JZFPMEFIJITJRV-UHFFFAOYSA-N 0 0 429.502 2.893 50 0 IFAARN COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc(Br)cc3)C1)C(=O)N2 ZINC000065248970 569121952 /nfs/dbraw/zinc/12/19/52/569121952.db2.gz AOZFDZVVCWVADD-SFHVURJKSA-N 0 0 437.315 2.742 50 0 IFAARN Cc1c(S(=O)(=O)NCCCn2nc(C(F)(F)F)c3c2CCC3)cnn1C(F)F ZINC000036614735 569122303 /nfs/dbraw/zinc/12/23/03/569122303.db2.gz CQHPYDLHXOYPJP-UHFFFAOYSA-N 0 0 427.399 2.659 50 0 IFAARN Cc1noc(-c2ccc(-n3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3C)nc2)n1 ZINC000065251420 569122345 /nfs/dbraw/zinc/12/23/45/569122345.db2.gz SZVXPSLUEQKYDU-UHFFFAOYSA-N 0 0 443.511 2.892 50 0 IFAARN CCc1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCC4)cn3)cn2)cc1 ZINC000065254282 569122517 /nfs/dbraw/zinc/12/25/17/569122517.db2.gz IGFJVNPOEQVMTL-UHFFFAOYSA-N 0 0 425.514 2.867 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)NCc4ccccc4)c3)nc2)C1 ZINC000065254338 569122562 /nfs/dbraw/zinc/12/25/62/569122562.db2.gz NBYNJUGBBAMDBO-KRWDZBQOSA-N 0 0 439.541 2.618 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)N4CCCCCC4)c3)nc2)C1 ZINC000065254356 569122659 /nfs/dbraw/zinc/12/26/59/569122659.db2.gz ULMWAUWHOVBZBQ-KRWDZBQOSA-N 0 0 431.562 2.704 50 0 IFAARN C[C@H]1CCCN(C(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cn3)cn2)C1 ZINC000065254352 569122668 /nfs/dbraw/zinc/12/26/68/569122668.db2.gz VCBIZFYRTBRZRQ-IRXDYDNUSA-N 0 0 431.562 2.560 50 0 IFAARN CCCn1nc(C)c2c1nc(C)cc2C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000036616889 569122843 /nfs/dbraw/zinc/12/28/43/569122843.db2.gz UVPQSWWNDJXXMF-UHFFFAOYSA-N 0 0 441.557 2.605 50 0 IFAARN COc1ccc(-c2nc3c(c(=O)[nH]2)CCN(C(=O)COc2ccc(F)c(F)c2)C3)cc1 ZINC000065260314 569124093 /nfs/dbraw/zinc/12/40/93/569124093.db2.gz PRKILOXGKBWAFQ-UHFFFAOYSA-N 0 0 427.407 2.687 50 0 IFAARN O=C(CN1CCOCC1)N1CCC[C@@]2(C1)Nc1ccccc1NC2=NCc1ccccc1 ZINC000065259923 569124880 /nfs/dbraw/zinc/12/48/80/569124880.db2.gz RZTDFMAHHWLLNB-VWLOTQADSA-N 0 0 433.556 2.625 50 0 IFAARN CCC(=O)N(c1nnc(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)s1)C1CC1 ZINC000013128697 569125216 /nfs/dbraw/zinc/12/52/16/569125216.db2.gz IEAODKLEHFPMPA-QMMMGPOBSA-N 0 0 425.561 2.723 50 0 IFAARN Cc1occc1-c1nnc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000013163956 569125798 /nfs/dbraw/zinc/12/57/98/569125798.db2.gz SYGGWHNEDQRZAW-AWEZNQCLSA-N 0 0 425.532 2.688 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)C[C@H](c1ccsc1)n1cccc1)[C@H](C(N)=O)C2 ZINC000524731574 569126651 /nfs/dbraw/zinc/12/66/51/569126651.db2.gz CLTIPNWMUFLWQO-MOPGFXCFSA-N 0 0 439.537 2.985 50 0 IFAARN COc1cc2c(cc1OC)[C@H](NC(=O)Cn1ccc3c1cccc3NS(C)(=O)=O)CC2 ZINC000524732421 569126796 /nfs/dbraw/zinc/12/67/96/569126796.db2.gz BJCAJOFFEYYRAR-QGZVFWFLSA-N 0 0 443.525 2.834 50 0 IFAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)CC2(Cn3cccc3)CCCCC2)CC1 ZINC000524732805 569126909 /nfs/dbraw/zinc/12/69/09/569126909.db2.gz OUURRFXDBJCQBT-UHFFFAOYSA-N 0 0 447.605 2.702 50 0 IFAARN Cc1nccn1CC(=O)N1CC[C@@]2(C1)NCc1ccccc1NC2=NCc1ccccc1 ZINC000065265860 569127264 /nfs/dbraw/zinc/12/72/64/569127264.db2.gz DFTYMPXUFXMYLE-VWLOTQADSA-N 0 0 428.540 2.786 50 0 IFAARN COCCN=C1Nc2ccccc2CN[C@]12CCN(C(=O)COc1cccc(Cl)c1)C2 ZINC000065265814 569127361 /nfs/dbraw/zinc/12/73/61/569127361.db2.gz QXLCSIKRJVHIBG-QHCPKHFHSA-N 0 0 442.947 2.759 50 0 IFAARN CSCC[C@@H](C(=O)Nc1n[nH]c(-c2ccccc2)n1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524734297 569127566 /nfs/dbraw/zinc/12/75/66/569127566.db2.gz RAMGMMNEIZVHSQ-INIZCTEOSA-N 0 0 436.497 2.820 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CSc1ccc3nnc(C(C)C)n3n1)CC2 ZINC000524735226 569128157 /nfs/dbraw/zinc/12/81/57/569128157.db2.gz IHYQMRYGQIUDCO-UHFFFAOYSA-N 0 0 427.530 2.942 50 0 IFAARN CCCc1nc2cccnc2n1[C@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000065271734 569128628 /nfs/dbraw/zinc/12/86/28/569128628.db2.gz OXXLBVKEAMCEGT-KRWDZBQOSA-N 0 0 427.530 2.978 50 0 IFAARN C=C1C(N2CCCN(S(=O)(=O)CCC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065272007 569128839 /nfs/dbraw/zinc/12/88/39/569128839.db2.gz ZSTVUCKOYVBUJI-UHFFFAOYSA-N 0 0 439.603 2.524 50 0 IFAARN CCc1ccc(CNC(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc1 ZINC000065273436 569129459 /nfs/dbraw/zinc/12/94/59/569129459.db2.gz QRIBNWBAMQYQBP-LJQANCHMSA-N 0 0 426.586 2.795 50 0 IFAARN CCOc1cccc(CNC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)c1 ZINC000065273441 569129471 /nfs/dbraw/zinc/12/94/71/569129471.db2.gz IUELTBYACGMYMF-SFHVURJKSA-N 0 0 442.585 2.632 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccc(F)cc2)CC3)CC1 ZINC000065273527 569129571 /nfs/dbraw/zinc/12/95/71/569129571.db2.gz XFFOOQMXRXCFBE-INIZCTEOSA-N 0 0 430.549 2.762 50 0 IFAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2ccccc2)CC3)CC1 ZINC000065273612 569129848 /nfs/dbraw/zinc/12/98/48/569129848.db2.gz QOCGVNSHBVAWTI-GOSISDBHSA-N 0 0 426.586 2.869 50 0 IFAARN O=C(NCc1ccco1)[C@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065273723 569130025 /nfs/dbraw/zinc/13/00/25/569130025.db2.gz DCVYHJWLDQNHGB-INIZCTEOSA-N 0 0 428.558 2.606 50 0 IFAARN CC1CCN(C(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)CC1 ZINC000065273710 569130034 /nfs/dbraw/zinc/13/00/34/569130034.db2.gz ZWFTWSTYIYXPLK-GOSISDBHSA-N 0 0 430.618 2.955 50 0 IFAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1cnn(-c2ncncc2N2CCOCC2)c1 ZINC000065283006 569130129 /nfs/dbraw/zinc/13/01/29/569130129.db2.gz AQBOKNUYDSNKSR-UHFFFAOYSA-N 0 0 432.406 2.699 50 0 IFAARN COc1ccccc1NC(=O)N1CCN(c2nc3ccncc3n(CC(C)C)c2=O)CC1 ZINC000065292842 569130896 /nfs/dbraw/zinc/13/08/96/569130896.db2.gz CZHGDONCFFRGDA-UHFFFAOYSA-N 0 0 436.516 2.810 50 0 IFAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1)Nc1cccc(F)c1 ZINC000065295372 569131406 /nfs/dbraw/zinc/13/14/06/569131406.db2.gz HDHKZOFWBRNXBZ-UHFFFAOYSA-N 0 0 431.475 2.931 50 0 IFAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1)NCc1ccccc1F ZINC000065295467 569131477 /nfs/dbraw/zinc/13/14/77/569131477.db2.gz LDHUJLMTNXUUFR-UHFFFAOYSA-N 0 0 445.502 2.608 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)cc1 ZINC000036674881 569132268 /nfs/dbraw/zinc/13/22/68/569132268.db2.gz PRMXOTYGOPQZNX-UHFFFAOYSA-N 0 0 429.483 2.849 50 0 IFAARN Cc1cc2nn(CC(=O)Nc3ccc(F)c(F)c3)c(=O)n2c(Nc2ccc(F)cc2)n1 ZINC000065307830 569132557 /nfs/dbraw/zinc/13/25/57/569132557.db2.gz SANPLJSGEAGDRU-UHFFFAOYSA-N 0 0 428.374 2.999 50 0 IFAARN COc1ccccc1NC(=O)Cn1nc2n(c3ccsc3c(=O)n2CCC(C)C)c1=O ZINC000065305141 569132910 /nfs/dbraw/zinc/13/29/10/569132910.db2.gz LOLRWIUSGXKXHA-UHFFFAOYSA-N 0 0 441.513 2.566 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)c(C)c1 ZINC000065305281 569133033 /nfs/dbraw/zinc/13/30/33/569133033.db2.gz XBVUTAYPXWNFOV-UHFFFAOYSA-N 0 0 425.514 2.784 50 0 IFAARN CCc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)cc1 ZINC000065305220 569133100 /nfs/dbraw/zinc/13/31/00/569133100.db2.gz NGPVDHGGADLFDU-UHFFFAOYSA-N 0 0 425.514 2.730 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)cc1F ZINC000065305242 569133105 /nfs/dbraw/zinc/13/31/05/569133105.db2.gz IAXHIIQKLKVCCK-UHFFFAOYSA-N 0 0 429.477 2.615 50 0 IFAARN CCc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3Cc3ccco3)c2=O)cc1 ZINC000065305506 569133259 /nfs/dbraw/zinc/13/32/59/569133259.db2.gz RVNQOHLUHPPICS-UHFFFAOYSA-N 0 0 449.492 2.715 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(N1CCC(C(N)=O)CC1)n(-c1cccc(Cl)c1)c2=O ZINC000065306646 569133433 /nfs/dbraw/zinc/13/34/33/569133433.db2.gz PQJQTPCBUJTCNY-UHFFFAOYSA-N 0 0 440.887 2.527 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311498 569133792 /nfs/dbraw/zinc/13/37/92/569133792.db2.gz NLPJHGYFIJZILJ-UHFFFAOYSA-N 0 0 446.507 2.553 50 0 IFAARN C[C@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)C(=O)NCc1ccc(Cl)cc1 ZINC000036692658 569133836 /nfs/dbraw/zinc/13/38/36/569133836.db2.gz WLFQGLHFXWVWNZ-ZDUSSCGKSA-N 0 0 447.948 2.788 50 0 IFAARN Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)NCc1ccccc1 ZINC000065318884 569134499 /nfs/dbraw/zinc/13/44/99/569134499.db2.gz ICICWHYUIHZKKC-UHFFFAOYSA-N 0 0 426.498 2.760 50 0 IFAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3nnc4c(Cl)cccn43)C2)c1OC ZINC000065312721 569135016 /nfs/dbraw/zinc/13/50/16/569135016.db2.gz UPWHQDZNIJAPHB-HNNXBMFYSA-N 0 0 429.908 2.933 50 0 IFAARN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065313949 569135330 /nfs/dbraw/zinc/13/53/30/569135330.db2.gz YTXMLPFSMSVRTJ-SFHVURJKSA-N 0 0 432.480 2.875 50 0 IFAARN O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)Nc1ccc(F)cc1 ZINC000065314729 569135549 /nfs/dbraw/zinc/13/55/49/569135549.db2.gz QOCFZJNXJBJKDB-UHFFFAOYSA-N 0 0 429.521 2.842 50 0 IFAARN O=C(Nc1cc2ccccc2oc1=O)c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000036708443 569135851 /nfs/dbraw/zinc/13/58/51/569135851.db2.gz XJMPDZZPQWNVRG-CQSZACIVSA-N 0 0 439.449 2.861 50 0 IFAARN CCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)c4ccncc34)cnc21 ZINC000036718633 569136919 /nfs/dbraw/zinc/13/69/19/569136919.db2.gz RDZCWQAEBIVRJS-UHFFFAOYSA-N 0 0 444.495 2.896 50 0 IFAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)ccc1OCC(N)=O ZINC000065331224 569137188 /nfs/dbraw/zinc/13/71/88/569137188.db2.gz BDCXUAFTBPQQGS-HNNXBMFYSA-N 0 0 426.860 2.873 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 ZINC000238909857 569137913 /nfs/dbraw/zinc/13/79/13/569137913.db2.gz SCWHNHMIDJXOIR-UHFFFAOYSA-N 0 0 436.965 2.965 50 0 IFAARN Cc1c(C(=O)NCCS(=O)(=O)N2CCc3ccccc32)oc2c1C(=O)CC(C)(C)C2 ZINC000065490200 569138741 /nfs/dbraw/zinc/13/87/41/569138741.db2.gz KFRKTMIYABWILZ-UHFFFAOYSA-N 0 0 430.526 2.865 50 0 IFAARN O=C(CSc1nnc2c(=O)n(Cc3ccccc3F)ccn12)NCc1cccs1 ZINC000065534862 569139423 /nfs/dbraw/zinc/13/94/23/569139423.db2.gz IADZRHJYWHSKKY-UHFFFAOYSA-N 0 0 429.502 2.548 50 0 IFAARN O=C([C@H]1CSCN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)N1CCCC1 ZINC000065567856 569139849 /nfs/dbraw/zinc/13/98/49/569139849.db2.gz ZCURKJCPCUUDHD-GFCCVEGCSA-N 0 0 426.894 2.627 50 0 IFAARN COC(=O)c1cc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)ccc2o1 ZINC000065589198 569139989 /nfs/dbraw/zinc/13/99/89/569139989.db2.gz WPCZEDJRVSPELJ-AWEZNQCLSA-N 0 0 436.420 2.982 50 0 IFAARN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000065614578 569140308 /nfs/dbraw/zinc/14/03/08/569140308.db2.gz MXRKQSOROQXCNM-IBGZPJMESA-N 0 0 444.513 2.585 50 0 IFAARN CCOC(=O)[C@]1(O)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=S)N1C ZINC000037224389 569140993 /nfs/dbraw/zinc/14/09/93/569140993.db2.gz IOSAZKOERPLFJJ-LLGFUMIMSA-N 0 0 432.929 2.952 50 0 IFAARN Cc1nc2cc(C(=O)N3CCN([C@H]4CCCN(Cc5ccccc5)C4=O)CC3)ccc2n1C ZINC000170593342 569141101 /nfs/dbraw/zinc/14/11/01/569141101.db2.gz BOLMVVLOOFYHJF-DEOSSOPVSA-N 0 0 445.567 2.831 50 0 IFAARN CCN(CC)C(=O)C1CCN(C(=O)c2ccc(I)c(O)c2)CC1 ZINC000170595338 569141537 /nfs/dbraw/zinc/14/15/37/569141537.db2.gz RAOIDMMHLJOCFH-UHFFFAOYSA-N 0 0 430.286 2.717 50 0 IFAARN O=C(CCc1ccc2c(c1)OCCO2)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000170600845 569142954 /nfs/dbraw/zinc/14/29/54/569142954.db2.gz RRURWSULTGUCBJ-UHFFFAOYSA-N 0 0 428.436 2.610 50 0 IFAARN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000170602473 569143271 /nfs/dbraw/zinc/14/32/71/569143271.db2.gz UWILMXMAWSKSSP-RBUKOAKNSA-N 0 0 446.527 2.810 50 0 IFAARN C[C@@H]1CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)C[C@H](CO)O1 ZINC000170605402 569143711 /nfs/dbraw/zinc/14/37/11/569143711.db2.gz KITKWQVHDWWQRL-MWLCHTKSSA-N 0 0 438.328 2.527 50 0 IFAARN Cc1ccc(CNC(=O)c2nnc(CN[C@H]3CCCC[C@@H]3N3CCOCC3)s2)cc1 ZINC000170607321 569144237 /nfs/dbraw/zinc/14/42/37/569144237.db2.gz CANHCYARAAUXHR-OALUTQOASA-N 0 0 429.590 2.510 50 0 IFAARN CCOC(=O)[C@H](c1ccc(Br)cc1)N(CCCNS(C)(=O)=O)C(C)C ZINC000170607235 569144271 /nfs/dbraw/zinc/14/42/71/569144271.db2.gz RMUOQIJCVSOFKW-INIZCTEOSA-N 0 0 435.384 2.703 50 0 IFAARN CCOC(=O)[C@H](Cc1ccncc1)NC(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000170608952 569144850 /nfs/dbraw/zinc/14/48/50/569144850.db2.gz POFWGIQXWBXZJE-IBGZPJMESA-N 0 0 437.452 2.596 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)N(C)[C@@H](COC)Cc2ccccc2)cc1OCC ZINC000170609893 569144922 /nfs/dbraw/zinc/14/49/22/569144922.db2.gz QDTVKFODYJJSFR-HXUWFJFHSA-N 0 0 428.529 2.930 50 0 IFAARN CO[C@H]1C[C@H](C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)N(C(=O)OC(C)(C)C)C1 ZINC000170611049 569145010 /nfs/dbraw/zinc/14/50/10/569145010.db2.gz NFWUSMPWAZTYMO-RBUKOAKNSA-N 0 0 449.523 2.571 50 0 IFAARN CCS(=O)(=O)NCc1ccc(C(=O)Nc2cc3ccc(Br)cn3n2)cc1 ZINC000170614354 569146378 /nfs/dbraw/zinc/14/63/78/569146378.db2.gz XLJUEWMTIVPRCM-UHFFFAOYSA-N 0 0 437.319 2.788 50 0 IFAARN COc1cccc2c1CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)CC2 ZINC000170615842 569146612 /nfs/dbraw/zinc/14/66/12/569146612.db2.gz NMUIMIVOFLFPKL-UHFFFAOYSA-N 0 0 438.933 2.772 50 0 IFAARN NC(=O)[C@H]1CCCN1Cc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000170617478 569147313 /nfs/dbraw/zinc/14/73/13/569147313.db2.gz HSEWTOPHMURUHS-QGZVFWFLSA-N 0 0 427.448 2.956 50 0 IFAARN COc1cc(C(C)=O)ccc1OCC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000170620819 569147858 /nfs/dbraw/zinc/14/78/58/569147858.db2.gz HLGFKYQJQJMGHX-UHFFFAOYSA-N 0 0 428.460 2.837 50 0 IFAARN O=C(COc1ccc2occ(C(=O)c3ccc(Cl)cc3)c2c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000170622186 569148016 /nfs/dbraw/zinc/14/80/16/569148016.db2.gz BSEWTXJBBBCJIB-OAHLLOKOSA-N 0 0 447.896 2.999 50 0 IFAARN COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000170626237 569148650 /nfs/dbraw/zinc/14/86/50/569148650.db2.gz IFRJYEUFLGDJAZ-UHFFFAOYSA-N 0 0 433.911 2.952 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000009761664 569149089 /nfs/dbraw/zinc/14/90/89/569149089.db2.gz MFTYLHZZGINEQF-UHFFFAOYSA-N 0 0 432.429 2.624 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)NCc2ccccn2)c1 ZINC000009882159 569149533 /nfs/dbraw/zinc/14/95/33/569149533.db2.gz BLSDBVOOYAUCSB-UHFFFAOYSA-N 0 0 439.493 2.974 50 0 IFAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000009882891 569149936 /nfs/dbraw/zinc/14/99/36/569149936.db2.gz CWPJGBKFWQXHGH-ZDUSSCGKSA-N 0 0 427.423 2.773 50 0 IFAARN CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)[C@H]1CCCc2ccccc21 ZINC000009884267 569150336 /nfs/dbraw/zinc/15/03/36/569150336.db2.gz OSASQRIDCHXHTP-MHECFPHRSA-N 0 0 435.480 2.718 50 0 IFAARN COc1cccc(NC(=O)C[C@H](C[NH+]2CCN(c3cccc(OC)c3)CC2)C(=O)[O-])c1 ZINC000071283368 569150666 /nfs/dbraw/zinc/15/06/66/569150666.db2.gz ZWKKQWQLIUUOHS-QGZVFWFLSA-N 0 0 427.501 2.555 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)c1ccc2c(c1)CCCC2 ZINC000009909172 569150710 /nfs/dbraw/zinc/15/07/10/569150710.db2.gz DFFNQWBMLTVKLK-MQNRADLISA-N 0 0 449.507 2.939 50 0 IFAARN CCOC(=O)C[C@@H](c1c(C)nn(Cc2ccccc2)c1C)c1oc(CO)cc(=O)c1O ZINC000071286043 569150917 /nfs/dbraw/zinc/15/09/17/569150917.db2.gz BVJBITFNSZNKNP-SFHVURJKSA-N 0 0 426.469 2.784 50 0 IFAARN O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000009954152 569151007 /nfs/dbraw/zinc/15/10/07/569151007.db2.gz OBURHSUHDLFTGR-UHFFFAOYSA-N 0 0 429.432 2.598 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(OCc3cccc(Cl)c3)c(=O)cc2CO)cn1 ZINC000071288750 569151050 /nfs/dbraw/zinc/15/10/50/569151050.db2.gz HUWSRGHQKJQXKN-UHFFFAOYSA-N 0 0 429.860 2.615 50 0 IFAARN COc1ccc(C(=O)NC2CCC(O)CC2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000010028017 569151803 /nfs/dbraw/zinc/15/18/03/569151803.db2.gz QFJZEEXBNYGSHR-UHFFFAOYSA-N 0 0 432.542 2.549 50 0 IFAARN COc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)c(F)c3)n2)cc(OC)c1OC ZINC000010220826 569153052 /nfs/dbraw/zinc/15/30/52/569153052.db2.gz QUVMLWBDYMOQIZ-UHFFFAOYSA-N 0 0 431.395 2.853 50 0 IFAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000010216319 569153164 /nfs/dbraw/zinc/15/31/64/569153164.db2.gz QJGGTCZVDSZAGE-UHFFFAOYSA-N 0 0 438.431 2.690 50 0 IFAARN COc1cccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnc(C)s2)c1 ZINC000010254788 569154325 /nfs/dbraw/zinc/15/43/25/569154325.db2.gz GZVYILWVXOXSFQ-UHFFFAOYSA-N 0 0 432.527 2.956 50 0 IFAARN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000010499724 569154734 /nfs/dbraw/zinc/15/47/34/569154734.db2.gz QTPQTACNWHLZFN-CQSZACIVSA-N 0 0 426.498 2.997 50 0 IFAARN O=C(COC(=O)Cn1nc(-c2ccccc2)oc1=O)Nc1ccccc1SC(F)F ZINC000010499990 569154794 /nfs/dbraw/zinc/15/47/94/569154794.db2.gz QKMRYAMLSSVUJC-UHFFFAOYSA-N 0 0 435.408 3.000 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccncc4)sc3C2)cc1 ZINC000013360493 569155275 /nfs/dbraw/zinc/15/52/75/569155275.db2.gz JMVSZVXTKKWXNM-UHFFFAOYSA-N 0 0 430.511 2.546 50 0 IFAARN COc1cc(C)ccc1OCC(=O)NCCOc1ccc2nnc(-c3ccccc3)n2n1 ZINC000013705702 569156672 /nfs/dbraw/zinc/15/66/72/569156672.db2.gz CWWQHPGYKMGTTD-UHFFFAOYSA-N 0 0 433.468 2.682 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000013698687 569156707 /nfs/dbraw/zinc/15/67/07/569156707.db2.gz BPHMBWGGZKFAJB-UHFFFAOYSA-N 0 0 449.872 2.964 50 0 IFAARN COc1cccc(-c2nnc3ccc(OCCNC(=O)COc4ccc(F)cc4)nn32)c1 ZINC000013706441 569156778 /nfs/dbraw/zinc/15/67/78/569156778.db2.gz ZOFLDATUXACMKT-UHFFFAOYSA-N 0 0 437.431 2.513 50 0 IFAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2c(cccc2F)s1 ZINC000013793614 569157044 /nfs/dbraw/zinc/15/70/44/569157044.db2.gz AHWLSUFRFUYNMD-ZFWWWQNUSA-N 0 0 441.550 2.762 50 0 IFAARN CC(=O)N[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc2ccccc2c1 ZINC000250763600 569157392 /nfs/dbraw/zinc/15/73/92/569157392.db2.gz XCMZMJFBJIDKSB-YDBZGQDJSA-N 0 0 435.476 2.923 50 0 IFAARN COc1ccc2cc(C(=O)OCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)ccc2c1 ZINC000014189284 569158109 /nfs/dbraw/zinc/15/81/09/569158109.db2.gz FFFKGWAVGIVIOS-FQEVSTJZSA-N 0 0 445.537 2.964 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncnc4c3cnn4C)cc2)cc1 ZINC000014212009 569158225 /nfs/dbraw/zinc/15/82/25/569158225.db2.gz PPPQJKVDINOHDZ-UHFFFAOYSA-N 0 0 425.470 2.989 50 0 IFAARN Cc1ccc(NC(=O)CSCC(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)cc1 ZINC000089635003 569160107 /nfs/dbraw/zinc/16/01/07/569160107.db2.gz OOIISAXNXFANTM-NRFANRHFSA-N 0 0 437.525 2.886 50 0 IFAARN Cc1nc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)c2n1CCCC2 ZINC000089708958 569161943 /nfs/dbraw/zinc/16/19/43/569161943.db2.gz WTYSEEBRDDFOIM-LBPRGKRZSA-N 0 0 444.479 2.530 50 0 IFAARN O=C(COC(=O)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1)NC1CCCCC1 ZINC000016845350 569163836 /nfs/dbraw/zinc/16/38/36/569163836.db2.gz UUXWVSWLLXYQED-OAQYLSRUSA-N 0 0 443.525 2.695 50 0 IFAARN Cc1nn(-c2nc(C)cc(=O)[nH]2)c(C)c1CCC(=O)NCc1cc(-c2cccs2)on1 ZINC000016849634 569164531 /nfs/dbraw/zinc/16/45/31/569164531.db2.gz ADUPTLXCXYBPJN-UHFFFAOYSA-N 0 0 438.513 2.846 50 0 IFAARN COC(=O)c1c2c(nc3c1c(-c1ccc(OC)cc1)nn3[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000016850671 569164724 /nfs/dbraw/zinc/16/47/24/569164724.db2.gz AOGQNEHVGNYOPN-CQSZACIVSA-N 0 0 441.509 2.742 50 0 IFAARN Cc1ccccc1C(=O)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O ZINC000016850562 569164752 /nfs/dbraw/zinc/16/47/52/569164752.db2.gz FRFXYQWQTYBSKE-UHFFFAOYSA-N 0 0 449.482 2.761 50 0 IFAARN COc1ccc(C(=O)Nc2ccccc2[C@@H](NC(=O)c2ccc(OC)nn2)C(C)C)nn1 ZINC000089801795 569164931 /nfs/dbraw/zinc/16/49/31/569164931.db2.gz KOJBEUIPQFRLGE-FQEVSTJZSA-N 0 0 436.472 2.663 50 0 IFAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N(CCCN1CCOCC1)c1ccccc1 ZINC000089845573 569165695 /nfs/dbraw/zinc/16/56/95/569165695.db2.gz GRRBTAGBKMQDKZ-UHFFFAOYSA-N 0 0 443.569 2.596 50 0 IFAARN O=C(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccn(-c2ccccc2)n1 ZINC000089857610 569165876 /nfs/dbraw/zinc/16/58/76/569165876.db2.gz DLDHGIJWTQGWDY-UHFFFAOYSA-N 0 0 442.516 2.985 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2c(-c3ccccc3)nc3n2CCS3)cc1 ZINC000016913756 569165897 /nfs/dbraw/zinc/16/58/97/569165897.db2.gz DIQOELPVDPPJPK-UHFFFAOYSA-N 0 0 442.566 2.836 50 0 IFAARN O=C(c1ccc(CN2CCNC(=O)C2)cc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000089873232 569166497 /nfs/dbraw/zinc/16/64/97/569166497.db2.gz NHGUNUCABNOQOW-UHFFFAOYSA-N 0 0 442.563 2.730 50 0 IFAARN O=C(Cn1ncc2ccccc21)N(C1CC1)[C@H]1CCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000089873284 569166534 /nfs/dbraw/zinc/16/65/34/569166534.db2.gz DLMIMBNIHBLANP-NRFANRHFSA-N 0 0 442.523 2.678 50 0 IFAARN O=C(Cn1c(=O)oc2ccccc21)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000089873298 569166557 /nfs/dbraw/zinc/16/65/57/569166557.db2.gz NAVXFKWIQQMSFI-UHFFFAOYSA-N 0 0 435.889 2.671 50 0 IFAARN CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C)CC2 ZINC000089891066 569166686 /nfs/dbraw/zinc/16/66/86/569166686.db2.gz KUGBFFQAWGCLSG-QFIPXVFZSA-N 0 0 446.544 2.959 50 0 IFAARN CC(C)c1nnc(NC(=O)CCC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)s1 ZINC000089893810 569166921 /nfs/dbraw/zinc/16/69/21/569166921.db2.gz NONRDAPKLXZNEF-UHFFFAOYSA-N 0 0 443.529 2.922 50 0 IFAARN COc1ccc([C@H](CNC(=O)CCC(=O)N[C@H](C)c2ccccc2)N2CCOCC2)cc1 ZINC000089905550 569167232 /nfs/dbraw/zinc/16/72/32/569167232.db2.gz NHDAVPBWXWQGCW-XXBNENTESA-N 0 0 439.556 2.842 50 0 IFAARN COc1cccc(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)c1 ZINC000016960587 569168253 /nfs/dbraw/zinc/16/82/53/569168253.db2.gz ABQYIGWGBLNZRR-OAHLLOKOSA-N 0 0 448.526 2.989 50 0 IFAARN COc1cn2c(cc1=O)C(=O)N(CCNC(=O)CC(c1ccccc1)c1ccccc1)CC2 ZINC000016986752 569169265 /nfs/dbraw/zinc/16/92/65/569169265.db2.gz XQSIRLIVVWMLFP-UHFFFAOYSA-N 0 0 445.519 2.651 50 0 IFAARN CCOC(=O)c1ccsc1NC(=O)Cn1cc(I)cc(C)c1=O ZINC000089984896 569170016 /nfs/dbraw/zinc/17/00/16/569170016.db2.gz LRVVJQDFQCMWLF-UHFFFAOYSA-N 0 0 446.266 2.638 50 0 IFAARN COc1cc(C)c(C)cc1S(=O)(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000017010193 569170162 /nfs/dbraw/zinc/17/01/62/569170162.db2.gz ZXTWLSAYZODPOI-UHFFFAOYSA-N 0 0 431.489 2.653 50 0 IFAARN COc1cc(C)c(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1C ZINC000017010352 569170226 /nfs/dbraw/zinc/17/02/26/569170226.db2.gz UHXHITMTJMGENP-UHFFFAOYSA-N 0 0 431.489 2.653 50 0 IFAARN COc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1C ZINC000017011329 569170333 /nfs/dbraw/zinc/17/03/33/569170333.db2.gz CLXLZWFLAJCFLA-UHFFFAOYSA-N 0 0 433.917 2.859 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCCc2ccco2)c2cccs2)cc1 ZINC000017043177 569171357 /nfs/dbraw/zinc/17/13/57/569171357.db2.gz MLHRGBKFRAAFHL-IBGZPJMESA-N 0 0 446.550 2.640 50 0 IFAARN Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCC(=O)Nc2cccc(F)c2)cc1 ZINC000017041467 569171531 /nfs/dbraw/zinc/17/15/31/569171531.db2.gz OKHGTDQNBJVKOR-UHFFFAOYSA-N 0 0 442.516 2.870 50 0 IFAARN Cc1ccc(-c2nnc3n(Cc4ccccc4Cl)c4c(n23)n(C)c(=O)n(C)c4=O)cc1 ZINC000017052027 569172051 /nfs/dbraw/zinc/17/20/51/569172051.db2.gz GKUHJGCPMZGPPH-UHFFFAOYSA-N 0 0 434.887 2.759 50 0 IFAARN Cc1ccccc1-n1nc2c(c1NC(=O)/C=C\c1ccc3c(c1)OCO3)CS(=O)(=O)C2 ZINC000017143725 569174612 /nfs/dbraw/zinc/17/46/12/569174612.db2.gz MHHHJEXWAUFBEN-CLFYSBASSA-N 0 0 437.477 2.990 50 0 IFAARN O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCCC1 ZINC000017169667 569175217 /nfs/dbraw/zinc/17/52/17/569175217.db2.gz YVMWOTNFNVOBRO-IBGZPJMESA-N 0 0 436.505 2.889 50 0 IFAARN O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1ccc2c(c1)OCCO2 ZINC000017169884 569175401 /nfs/dbraw/zinc/17/54/01/569175401.db2.gz LJRVSBRGTLPKFP-UHFFFAOYSA-N 0 0 439.493 2.875 50 0 IFAARN O=C(NCc1cccs1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cccs1 ZINC000017170092 569175433 /nfs/dbraw/zinc/17/54/33/569175433.db2.gz IHSMXOFVSPNDHD-CQSZACIVSA-N 0 0 440.593 2.819 50 0 IFAARN Cc1cc(CNC(=O)CNC(=O)c2ccccc2I)cc(C)c1O ZINC000170637608 569178435 /nfs/dbraw/zinc/17/84/35/569178435.db2.gz WBAAOICFVMAELM-UHFFFAOYSA-N 0 0 438.265 2.660 50 0 IFAARN COc1ccc(-n2nc3nc(N4CCOCC4)nc(-c4cccc(OC)c4)c3c2N)cc1 ZINC000037361133 569181598 /nfs/dbraw/zinc/18/15/98/569181598.db2.gz RYHMSPMHRXTATD-UHFFFAOYSA-N 0 0 432.484 2.919 50 0 IFAARN CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000008888321 569182940 /nfs/dbraw/zinc/18/29/40/569182940.db2.gz QPLWJVFJFYAMHG-CQSZACIVSA-N 0 0 438.436 2.681 50 0 IFAARN O=C(CSc1cn[nH]n1)Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000252483042 569186409 /nfs/dbraw/zinc/18/64/09/569186409.db2.gz DTCRSFBEFJUTAA-UHFFFAOYSA-N 0 0 447.586 2.783 50 0 IFAARN CCCNC(=O)CCCC(=O)O[C@@H]1CCCC[C@@H]1OC(=O)CCCC(=O)NCCC ZINC000252484494 569186476 /nfs/dbraw/zinc/18/64/76/569186476.db2.gz FXQCBKRNTGQMIR-HDICACEKSA-N 0 0 426.554 2.777 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n3C)n1-c1ccccc1O ZINC000010103093 569188223 /nfs/dbraw/zinc/18/82/23/569188223.db2.gz PACAARCUELWNSL-UHFFFAOYSA-N 0 0 435.871 2.854 50 0 IFAARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC)cc3OC)[C@@H]4C2=O)cc1 ZINC000208193550 569189473 /nfs/dbraw/zinc/18/94/73/569189473.db2.gz UHQGAHOMMGNWMW-LOCCHRAXSA-N 0 0 436.464 2.638 50 0 IFAARN Cc1cc(N2CCN(C(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)CC2)nc2ccccc12 ZINC000252532835 569189777 /nfs/dbraw/zinc/18/97/77/569189777.db2.gz FHNUZSVBVLPZSN-OAQYLSRUSA-N 0 0 443.507 2.982 50 0 IFAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@H](CC(C)C)C(=O)OC)C12CCCC2 ZINC000252536727 569189896 /nfs/dbraw/zinc/18/98/96/569189896.db2.gz JHODNIULTFJTHY-WOJBJXKFSA-N 0 0 430.545 2.889 50 0 IFAARN COC(=O)c1nc(NC(=O)C[C@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)sc1C(C)C ZINC000252536515 569189897 /nfs/dbraw/zinc/18/98/97/569189897.db2.gz IUIBDAKZLKHTFB-CYBMUJFWSA-N 0 0 448.476 2.846 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3cccc4[nH]ccc43)C2=O)cc1OC ZINC000252548716 569190835 /nfs/dbraw/zinc/19/08/35/569190835.db2.gz QHGLXDHQPHFLRC-GOSISDBHSA-N 0 0 436.468 2.881 50 0 IFAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000252549662 569190929 /nfs/dbraw/zinc/19/09/29/569190929.db2.gz ROXQNNLVHLOEAT-QMZDIEEXSA-N 0 0 446.551 2.949 50 0 IFAARN O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 ZINC000252552026 569191018 /nfs/dbraw/zinc/19/10/18/569191018.db2.gz ULXZQPPGHCNZRE-LJQANCHMSA-N 0 0 431.452 2.632 50 0 IFAARN COc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@@H]2C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cc1 ZINC000252599165 569193517 /nfs/dbraw/zinc/19/35/17/569193517.db2.gz DGPJSNOMOSRXLR-GKAYAJSDSA-N 0 0 438.867 2.592 50 0 IFAARN Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccccn3)c2=O)cc1Cl ZINC000037399433 569194395 /nfs/dbraw/zinc/19/43/95/569194395.db2.gz YVSQEKWKRIBGKT-UHFFFAOYSA-N 0 0 434.883 2.826 50 0 IFAARN CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C1 ZINC000037458152 569197310 /nfs/dbraw/zinc/19/73/10/569197310.db2.gz WHXLNKMAIAOYFP-DLBZAZTESA-N 0 0 437.562 2.914 50 0 IFAARN C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCCOc1ccccc1 ZINC000037503516 569197837 /nfs/dbraw/zinc/19/78/37/569197837.db2.gz WEFOLVTZWYTPIB-SJKOYZFVSA-N 0 0 448.324 2.643 50 0 IFAARN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCCC2=CCCCC2)c1 ZINC000027389927 569204355 /nfs/dbraw/zinc/20/43/55/569204355.db2.gz LGYLGBUWYTWVGG-UHFFFAOYSA-N 0 0 445.379 2.994 50 0 IFAARN CCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cccs3)CC2)CC1 ZINC000037525214 569198998 /nfs/dbraw/zinc/19/89/98/569198998.db2.gz ANMBTPGVDHJSFZ-UHFFFAOYSA-N 0 0 426.586 2.925 50 0 IFAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000007735806 569199336 /nfs/dbraw/zinc/19/93/36/569199336.db2.gz OHKWFVJTRYRQCJ-HXUWFJFHSA-N 0 0 425.485 2.507 50 0 IFAARN Cc1ccc(C(=O)N2CCC(NC(=O)c3nccnc3NC(=O)c3ccco3)CC2)cc1 ZINC000037575353 569201360 /nfs/dbraw/zinc/20/13/60/569201360.db2.gz UOGRYQCULQTCMB-UHFFFAOYSA-N 0 0 433.468 2.665 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252668501 569209701 /nfs/dbraw/zinc/20/97/01/569209701.db2.gz FFNOISLMCFDMHP-FQEVSTJZSA-N 0 0 438.480 2.643 50 0 IFAARN CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000252668982 569209823 /nfs/dbraw/zinc/20/98/23/569209823.db2.gz GCHTWIYCYACSIH-RTBURBONSA-N 0 0 438.613 2.521 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)o3)c(=O)n2[C@H]1c1cccs1 ZINC000252675056 569210305 /nfs/dbraw/zinc/21/03/05/569210305.db2.gz SUIMLJWQUUJXNR-SFHVURJKSA-N 0 0 443.550 2.519 50 0 IFAARN COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CS(=O)(=O)C3)cc1OC ZINC000003008562 569212900 /nfs/dbraw/zinc/21/29/00/569212900.db2.gz ZUDNFDUNBMOTMB-UHFFFAOYSA-N 0 0 427.482 2.879 50 0 IFAARN O=C([C@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1)N1CCCCC1 ZINC000014989579 569256733 /nfs/dbraw/zinc/25/67/33/569256733.db2.gz ZRKRQHOCURHKHL-ROUUACIJSA-N 0 0 425.529 2.691 50 0 IFAARN CC(=O)OCC(=O)[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000035179327 569257652 /nfs/dbraw/zinc/25/76/52/569257652.db2.gz ADKSQQOMYDIKJT-AAXBUIINSA-N 0 0 442.508 2.907 50 0 IFAARN O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H]1[C@@H]2[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000138720811 569258897 /nfs/dbraw/zinc/25/88/97/569258897.db2.gz KSOCXRSCFJVURG-MMPLWAHZSA-N 0 0 436.552 2.916 50 0 IFAARN COCCn1c(Cc2cccc3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000253393048 569264480 /nfs/dbraw/zinc/26/44/80/569264480.db2.gz OTMBDXYHAGDLJZ-LJQANCHMSA-N 0 0 428.558 2.682 50 0 IFAARN COC(=O)c1sc(NC(=O)CCN2C=Cc3cc(OC)c(OC)cc3CC2=O)nc1C ZINC000253395564 569264567 /nfs/dbraw/zinc/26/45/67/569264567.db2.gz AMINKBLILSMHFK-UHFFFAOYSA-N 0 0 445.497 2.640 50 0 IFAARN COCC1(CNC(=O)CCCNC(=O)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000253416339 569266388 /nfs/dbraw/zinc/26/63/88/569266388.db2.gz DEYDAMJLEWIETM-UHFFFAOYSA-N 0 0 447.576 2.977 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1scnc1C)n2C ZINC000253419891 569266735 /nfs/dbraw/zinc/26/67/35/569266735.db2.gz DFFUZMZPUBXHFZ-UHFFFAOYSA-N 0 0 435.575 2.940 50 0 IFAARN O=C(Nc1cc(I)cc(I)c1)[C@@H]1CCOC1 ZINC000253423166 569266942 /nfs/dbraw/zinc/26/69/42/569266942.db2.gz STCTYCCIFLNZGE-SSDOTTSWSA-N 0 0 443.022 2.871 50 0 IFAARN O=C(NCCc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253425246 569267216 /nfs/dbraw/zinc/26/72/16/569267216.db2.gz BXPYSODVYVSYGT-KRWDZBQOSA-N 0 0 443.352 2.742 50 0 IFAARN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 ZINC000253426620 569267352 /nfs/dbraw/zinc/26/73/52/569267352.db2.gz ZIJRMTQFIQEMRK-WFASDCNBSA-N 0 0 440.422 2.759 50 0 IFAARN COCCCn1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002297598 569268375 /nfs/dbraw/zinc/26/83/75/569268375.db2.gz YBNBRSLSEDSLPY-UHFFFAOYSA-N 0 0 433.468 2.862 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000002305428 569271694 /nfs/dbraw/zinc/27/16/94/569271694.db2.gz DUBSORMYUKZIFB-JKALPCAWSA-N 0 0 438.505 2.708 50 0 IFAARN CC(C)CCn1c(=O)c2c(nc3n2CCN3c2ccc(Br)cc2)n(C)c1=O ZINC000002334599 569274657 /nfs/dbraw/zinc/27/46/57/569274657.db2.gz QWFAWZCKIBXNJI-UHFFFAOYSA-N 0 0 432.322 2.857 50 0 IFAARN CCNc1nc(NCC)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1 ZINC000002345192 569275482 /nfs/dbraw/zinc/27/54/82/569275482.db2.gz VZFGIDPVMRVNPI-UHFFFAOYSA-N 0 0 429.308 2.616 50 0 IFAARN CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n[nH]3)C2)c1F ZINC000253471023 569282530 /nfs/dbraw/zinc/28/25/30/569282530.db2.gz AMBOXMPCNHXQIN-CYBMUJFWSA-N 0 0 425.420 2.590 50 0 IFAARN CCc1ncnc(O[C@H]2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)c1F ZINC000253473900 569282942 /nfs/dbraw/zinc/28/29/42/569282942.db2.gz ZNQCVUVVAHGYHS-LBPRGKRZSA-N 0 0 435.399 2.919 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)N3CCCC[C@H]3c3cccnc3)C2=O)cc1 ZINC000253535725 569284180 /nfs/dbraw/zinc/28/41/80/569284180.db2.gz BCTPEZZSLINQSH-RTWAWAEBSA-N 0 0 436.512 2.901 50 0 IFAARN COC(=O)C1=CNC(=O)C([C@@H](CC(N)=O)c2ccc(OCCc3ccccc3)cc2)C1=O ZINC000253623886 569284575 /nfs/dbraw/zinc/28/45/75/569284575.db2.gz RZGYRXXCYQBLDN-SFHVURJKSA-N 0 0 436.464 2.908 50 0 IFAARN C[C@H](OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000007932964 569284977 /nfs/dbraw/zinc/28/49/77/569284977.db2.gz SCURLQHUZMRLIL-HNNXBMFYSA-N 0 0 427.501 2.690 50 0 IFAARN CCn1c(=O)c2cc3c(nc2nc1SCC(=O)Nc1nccs1)CC(C)(C)OC3 ZINC000002372133 569289138 /nfs/dbraw/zinc/28/91/38/569289138.db2.gz XASSILYXOMXRIH-UHFFFAOYSA-N 0 0 431.543 2.850 50 0 IFAARN COc1ccccc1NC(=O)CSc1ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)nn1 ZINC000065131512 569292925 /nfs/dbraw/zinc/29/29/25/569292925.db2.gz UEFMFCQJHBUBEJ-OAHLLOKOSA-N 0 0 441.557 2.711 50 0 IFAARN COc1cc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2N)cc(OC)c1OC ZINC000002392620 569297958 /nfs/dbraw/zinc/29/79/58/569297958.db2.gz IRRFYABAKHLROS-UHFFFAOYSA-N 0 0 447.492 2.863 50 0 IFAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC1(c2ccccc2)CCC1 ZINC000010221374 569299417 /nfs/dbraw/zinc/29/94/17/569299417.db2.gz FDNJAMDAVXKONM-FMIVXFBMSA-N 0 0 440.565 2.959 50 0 IFAARN COc1cc(C(=O)N(CCc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000011990893 569303417 /nfs/dbraw/zinc/30/34/17/569303417.db2.gz BAWFLTSCAHMDFF-GOSISDBHSA-N 0 0 433.526 2.584 50 0 IFAARN O=C(NCCNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 ZINC000013014594 569307020 /nfs/dbraw/zinc/30/70/20/569307020.db2.gz HLFPXKDSYQFNRN-UHFFFAOYSA-N 0 0 427.460 2.643 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCCSc2ccccc2)cc1 ZINC000013029099 569307361 /nfs/dbraw/zinc/30/73/61/569307361.db2.gz PUGMPNSWHWLNBL-UHFFFAOYSA-N 0 0 435.571 2.564 50 0 IFAARN CCOc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000013031251 569307459 /nfs/dbraw/zinc/30/74/59/569307459.db2.gz RDRMRTQVCWLVPE-UHFFFAOYSA-N 0 0 437.949 2.684 50 0 IFAARN Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000013039673 569308052 /nfs/dbraw/zinc/30/80/52/569308052.db2.gz YHRNQVGZIRQJJO-UHFFFAOYSA-N 0 0 447.582 2.860 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1C ZINC000013060275 569308505 /nfs/dbraw/zinc/30/85/05/569308505.db2.gz GNAYMDZWPMQGAO-UHFFFAOYSA-N 0 0 426.494 2.557 50 0 IFAARN CCOc1ccccc1NC(=O)c1ccc(OCC(=O)N2CCOCC2)c(OCC)c1 ZINC000013058175 569308558 /nfs/dbraw/zinc/30/85/58/569308558.db2.gz TVFCXYQIFBFFMQ-UHFFFAOYSA-N 0 0 428.485 2.974 50 0 IFAARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(N(C)C)c1 ZINC000013070707 569309029 /nfs/dbraw/zinc/30/90/29/569309029.db2.gz YTNWZADUBMWBDC-UHFFFAOYSA-N 0 0 447.557 2.813 50 0 IFAARN Cc1ccc(-c2nn(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c(=S)n2C)cc1 ZINC000013097654 569309819 /nfs/dbraw/zinc/30/98/19/569309819.db2.gz JMAZXPVIPMYDPO-UHFFFAOYSA-N 0 0 443.598 2.891 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c(C)c1 ZINC000013108843 569310256 /nfs/dbraw/zinc/31/02/56/569310256.db2.gz YPFYZNMATBAOLU-UHFFFAOYSA-N 0 0 444.553 2.610 50 0 IFAARN CCOC(=O)C1=C(COC(=O)Cc2csc(-c3cccc(C)c3)n2)NC(=O)N[C@@H]1C ZINC000013112460 569310505 /nfs/dbraw/zinc/31/05/05/569310505.db2.gz QMHNOGLZTIEAQI-CYBMUJFWSA-N 0 0 429.498 2.723 50 0 IFAARN O=C(CCc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1)N1CCCCCC1 ZINC000013346638 569312873 /nfs/dbraw/zinc/31/28/73/569312873.db2.gz AURXTAJLQKXCKB-UHFFFAOYSA-N 0 0 432.546 2.856 50 0 IFAARN C[C@]1(C(=O)NCc2ccc(F)cc2)CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000013356511 569313622 /nfs/dbraw/zinc/31/36/22/569313622.db2.gz QONSRVJDATVNBC-FQEVSTJZSA-N 0 0 448.545 2.938 50 0 IFAARN C[C@]1(C(=O)NCc2ccccc2)CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000013356548 569313673 /nfs/dbraw/zinc/31/36/73/569313673.db2.gz KJGLTQASFDUXJZ-FQEVSTJZSA-N 0 0 430.555 2.799 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C[C@@H](C)O1 ZINC000002456915 569314132 /nfs/dbraw/zinc/31/41/32/569314132.db2.gz QFALVAPNWLUXLE-CHWSQXEVSA-N 0 0 448.526 2.848 50 0 IFAARN O=C(NCCOc1cncc(Cl)c1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC000328591481 569316927 /nfs/dbraw/zinc/31/69/27/569316927.db2.gz INHIPOCWXRGDND-UHFFFAOYSA-N 0 0 438.868 2.812 50 0 IFAARN Cc1nn(-c2ccc(C(=O)N3CCOC[C@H]3c3nc[nH]n3)cc2)c(C)c1Br ZINC000328591630 569317070 /nfs/dbraw/zinc/31/70/70/569317070.db2.gz BWESZSJQZUBERP-HNNXBMFYSA-N 0 0 431.294 2.583 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)N3CCC(c4noc(C(C)C)n4)CC3)CC2=O)cc1OC ZINC000328592161 569317158 /nfs/dbraw/zinc/31/71/58/569317158.db2.gz DSVZRQAXDCXTAC-MRXNPFEDSA-N 0 0 442.516 2.969 50 0 IFAARN CCOc1ccccc1O[C@@H]1CCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1cccs1 ZINC000078877637 569319887 /nfs/dbraw/zinc/31/98/87/569319887.db2.gz XHVXGKLHCVISMG-JKSUJKDBSA-N 0 0 438.571 2.884 50 0 IFAARN C[C@H]1CCCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000078992522 569321548 /nfs/dbraw/zinc/32/15/48/569321548.db2.gz YSLYKFZVNATWSI-YJBOKZPZSA-N 0 0 444.532 2.504 50 0 IFAARN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCC1(O)CCC2(CC1)OCCO2 ZINC000078994091 569321626 /nfs/dbraw/zinc/32/16/26/569321626.db2.gz XIALTKXMRDLOMG-UHFFFAOYSA-N 0 0 435.908 2.877 50 0 IFAARN O=C(CN1CC[C@H](C(CO)CO)C1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000078995792 569321725 /nfs/dbraw/zinc/32/17/25/569321725.db2.gz JDFTVFVUWMDKIY-JXFKEZNVSA-N 0 0 431.920 2.533 50 0 IFAARN COc1ccc(NC(=O)CN2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)cc1Cl ZINC000079022025 569322515 /nfs/dbraw/zinc/32/25/15/569322515.db2.gz PGFFMUADLAWODJ-CQSZACIVSA-N 0 0 437.928 2.585 50 0 IFAARN CCN1CCN(C(=O)Cc2ccc(NC(=O)c3cncc(Br)c3)cc2)CC1 ZINC000079025408 569322762 /nfs/dbraw/zinc/32/27/62/569322762.db2.gz KVEIWRSCTDRLAG-UHFFFAOYSA-N 0 0 431.334 2.803 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)N(CCOC)Cc2ccc(F)cc2Cl)ccc1F ZINC000079053548 569323578 /nfs/dbraw/zinc/32/35/78/569323578.db2.gz YOIPKAMNLABPAY-UHFFFAOYSA-N 0 0 432.876 2.815 50 0 IFAARN CC[C@](C)(CNC(=O)COCCc1ccccc1)NC(=O)COCCc1ccccc1 ZINC000079056112 569323678 /nfs/dbraw/zinc/32/36/78/569323678.db2.gz UAJJURPTKBALJR-RUZDIDTESA-N 0 0 426.557 2.906 50 0 IFAARN Cc1cccc(C)c1OC[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(C)(C)C ZINC000079094379 569325276 /nfs/dbraw/zinc/32/52/76/569325276.db2.gz SUJMJMWRYGHALG-GOSISDBHSA-N 0 0 431.558 2.711 50 0 IFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(OC)c3)C2)cc1 ZINC000079112251 569326167 /nfs/dbraw/zinc/32/61/67/569326167.db2.gz BAXKFXKNTQFLND-IBGZPJMESA-N 0 0 437.543 2.568 50 0 IFAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000079189314 569327935 /nfs/dbraw/zinc/32/79/35/569327935.db2.gz VVEAUEIOLRLSJI-GHTZIAJQSA-N 0 0 447.399 2.819 50 0 IFAARN CC1(C)CS(=O)(=O)N(c2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)C1=O ZINC000019797476 569329697 /nfs/dbraw/zinc/32/96/97/569329697.db2.gz MLCVYSDGKHXXII-UHFFFAOYSA-N 0 0 425.510 2.843 50 0 IFAARN CC(C)(C)OC(=O)NC1CCN(C(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)CC1 ZINC000079482856 569331021 /nfs/dbraw/zinc/33/10/21/569331021.db2.gz LTSQLMXHCPZPPW-QGZVFWFLSA-N 0 0 430.505 2.683 50 0 IFAARN CC(C)(C)C(=O)COc1coc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O ZINC000079486082 569331110 /nfs/dbraw/zinc/33/11/10/569331110.db2.gz OIWZTUWVJCGVFJ-UHFFFAOYSA-N 0 0 442.512 2.680 50 0 IFAARN COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC ZINC000019868755 569331144 /nfs/dbraw/zinc/33/11/44/569331144.db2.gz RCSOCYINFYBETK-INIZCTEOSA-N 0 0 438.571 2.525 50 0 IFAARN Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(-c3nnn(C)n3)c2)n1 ZINC000079501779 569331542 /nfs/dbraw/zinc/33/15/42/569331542.db2.gz GGGALOKAGXHHEP-FQEVSTJZSA-N 0 0 428.500 2.946 50 0 IFAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCC2)cc1Br ZINC000020068966 569333155 /nfs/dbraw/zinc/33/31/55/569333155.db2.gz DQPDXOMPBLNGMH-LSDHHAIUSA-N 0 0 438.351 2.739 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(C)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000020114233 569334862 /nfs/dbraw/zinc/33/48/62/569334862.db2.gz BIUZVXGBENPFAA-YADHBBJMSA-N 0 0 441.503 2.527 50 0 IFAARN CC(=O)NCCN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 ZINC000020115046 569334997 /nfs/dbraw/zinc/33/49/97/569334997.db2.gz VMNZSEDDIDSEBM-GOSISDBHSA-N 0 0 444.944 2.807 50 0 IFAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1cc(Cl)ccc1OC)CCS2 ZINC000020154948 569353688 /nfs/dbraw/zinc/35/36/88/569353688.db2.gz DNVFYKSJXVCDRD-UHFFFAOYSA-N 0 0 441.962 2.931 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5cc(C)ccc5C)CC4)C3)ncn2)n1 ZINC000390827113 569353926 /nfs/dbraw/zinc/35/39/26/569353926.db2.gz UHBSCCGRXQLCQS-UHFFFAOYSA-N 0 0 445.571 2.681 50 0 IFAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1 ZINC000390828588 569354018 /nfs/dbraw/zinc/35/40/18/569354018.db2.gz BHTZJXUMCYSPHE-UHFFFAOYSA-N 0 0 432.402 2.922 50 0 IFAARN O=S(=O)(Cc1ccccc1)C1CCN(S(=O)(=O)CCCOc2ccccc2)CC1 ZINC000390830836 569354281 /nfs/dbraw/zinc/35/42/81/569354281.db2.gz NTLFDDJJDXMFCE-UHFFFAOYSA-N 0 0 437.583 2.865 50 0 IFAARN Cc1ccc(N2CCN(CC(=O)N3CC[C@H](c4ccccc4)S(=O)(=O)CC3)C2=O)cc1 ZINC000390831003 569354295 /nfs/dbraw/zinc/35/42/95/569354295.db2.gz PAANMUSOSYBPQI-OAQYLSRUSA-N 0 0 441.553 2.625 50 0 IFAARN CN1c2ccccc2N(C2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)S1(=O)=O ZINC000390832119 569354450 /nfs/dbraw/zinc/35/44/50/569354450.db2.gz XJUPRJADAYQBJC-UHFFFAOYSA-N 0 0 439.493 2.599 50 0 IFAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(C)cc1 ZINC000020239817 569357625 /nfs/dbraw/zinc/35/76/25/569357625.db2.gz GYIQAMKBVCSPSU-UHFFFAOYSA-N 0 0 440.569 2.900 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)NCCCc1ccccc1 ZINC000020280911 569358756 /nfs/dbraw/zinc/35/87/56/569358756.db2.gz OGZKGCLFIOKPFO-SFHVURJKSA-N 0 0 432.571 2.743 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000020328241 569360616 /nfs/dbraw/zinc/36/06/16/569360616.db2.gz HELGQTJVUKEAIE-SFHVURJKSA-N 0 0 434.901 2.985 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020328747 569360627 /nfs/dbraw/zinc/36/06/27/569360627.db2.gz AADMGXKPFLOYBV-IBGZPJMESA-N 0 0 432.473 2.779 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000020328309 569360636 /nfs/dbraw/zinc/36/06/36/569360636.db2.gz NEPLVAUHMRCQIE-SFHVURJKSA-N 0 0 434.901 2.985 50 0 IFAARN NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000095347486 569361532 /nfs/dbraw/zinc/36/15/32/569361532.db2.gz KIECQJLJFISQRO-QGZVFWFLSA-N 0 0 428.341 2.526 50 0 IFAARN C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000095350726 569361885 /nfs/dbraw/zinc/36/18/85/569361885.db2.gz LFLSYUKXQBIIMB-AWEZNQCLSA-N 0 0 439.990 2.686 50 0 IFAARN C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)Nc1cnn(C)c1 ZINC000080330330 569362308 /nfs/dbraw/zinc/36/23/08/569362308.db2.gz YFHATYJNGGKDJI-GFCCVEGCSA-N 0 0 425.320 2.586 50 0 IFAARN C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)N1CCSCC1 ZINC000080332319 569362420 /nfs/dbraw/zinc/36/24/20/569362420.db2.gz QPZLDIDTMCWNTJ-CYBMUJFWSA-N 0 0 431.389 2.789 50 0 IFAARN O=C(NCCn1ccc2cc(Br)ccc21)[C@@H](c1ccccc1)n1cnnn1 ZINC000080338656 569362529 /nfs/dbraw/zinc/36/25/29/569362529.db2.gz JCABMJPEIYUKJK-GOSISDBHSA-N 0 0 425.290 2.796 50 0 IFAARN NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1 ZINC000095373568 569362894 /nfs/dbraw/zinc/36/28/94/569362894.db2.gz XZNCJTBBUSIQRW-HXUWFJFHSA-N 0 0 441.894 2.649 50 0 IFAARN CCc1cc2c(cc3c(=O)n(CC(=O)N4CCN(Cc5ccccc5)CC4)ncn23)s1 ZINC000020384257 569362906 /nfs/dbraw/zinc/36/29/06/569362906.db2.gz LQSCMPZAIUFURR-UHFFFAOYSA-N 0 0 435.553 2.618 50 0 IFAARN Brc1ccc(Cc2noc([C@@H]3CCCN3c3ccc4nnnn4n3)n2)cc1 ZINC000095394830 569363531 /nfs/dbraw/zinc/36/35/31/569363531.db2.gz ZAZOMLMQOCAUSV-ZDUSSCGKSA-N 0 0 427.266 2.597 50 0 IFAARN O=C(CON1C(=O)c2ccccc2C1=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000020405221 569363689 /nfs/dbraw/zinc/36/36/89/569363689.db2.gz KKAOPQUMQLLNHZ-UHFFFAOYSA-N 0 0 442.781 2.510 50 0 IFAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000095401336 569364030 /nfs/dbraw/zinc/36/40/30/569364030.db2.gz BCELTLCZYSQIBK-UHFFFAOYSA-N 0 0 447.706 2.720 50 0 IFAARN O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000020414901 569364345 /nfs/dbraw/zinc/36/43/45/569364345.db2.gz RPFWDPJFZXWESX-UHFFFAOYSA-N 0 0 436.585 2.890 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCc3cc(Cl)ccc32)C1=O)NCCc1c[nH]c2ccccc12 ZINC000095430260 569366182 /nfs/dbraw/zinc/36/61/82/569366182.db2.gz PWVLDSIXKSYJNV-QHCPKHFHSA-N 0 0 436.899 2.874 50 0 IFAARN CNS(=O)(=O)c1ccc(N2CCN(Cc3ccc(Br)s3)CC2)c(F)c1 ZINC000095443263 569366896 /nfs/dbraw/zinc/36/68/96/569366896.db2.gz BVHBRUBASQXTJZ-UHFFFAOYSA-N 0 0 448.383 2.880 50 0 IFAARN CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Nc3ncc(Br)cc3F)ccc2O1 ZINC000095444319 569367044 /nfs/dbraw/zinc/36/70/44/569367044.db2.gz ZWMBEOFZAVYGJC-CQSZACIVSA-N 0 0 445.266 2.651 50 0 IFAARN COC(=O)c1ccoc1CC1CCN(C(=O)c2cccc(C(=O)N3CCCC3)n2)CC1 ZINC000095451920 569367879 /nfs/dbraw/zinc/36/78/79/569367879.db2.gz DAPJSSNBSWVXLF-UHFFFAOYSA-N 0 0 425.485 2.792 50 0 IFAARN O=C([C@H]1CC12CCN(C(=O)[C@H]1CC(=O)N(c3ccccc3F)C1)CC2)N1CCCCC1 ZINC000095457945 569369095 /nfs/dbraw/zinc/36/90/95/569369095.db2.gz HWSGFJILDTUHAT-ZWKOTPCHSA-N 0 0 427.520 2.820 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000095458866 569369219 /nfs/dbraw/zinc/36/92/19/569369219.db2.gz JCUBZQOWAFXNRG-PMACEKPBSA-N 0 0 429.536 2.831 50 0 IFAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cc1 ZINC000095465544 569370778 /nfs/dbraw/zinc/37/07/78/569370778.db2.gz JMWCRYOQEBTTGX-IBGZPJMESA-N 0 0 430.526 2.718 50 0 IFAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cc1 ZINC000095465545 569370808 /nfs/dbraw/zinc/37/08/08/569370808.db2.gz JMWCRYOQEBTTGX-LJQANCHMSA-N 0 0 430.526 2.718 50 0 IFAARN COCC[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1)c1ccc(C)o1 ZINC000095465959 569370814 /nfs/dbraw/zinc/37/08/14/569370814.db2.gz LAUGBKKHTMNPKZ-ZWKOTPCHSA-N 0 0 440.587 2.882 50 0 IFAARN O=C(N[C@H]1CN(c2ccc(F)cc2)C1=O)c1ccc(F)cc1I ZINC000095469332 569371556 /nfs/dbraw/zinc/37/15/56/569371556.db2.gz DVTHQCJOIARVOO-AWEZNQCLSA-N 0 0 428.176 2.715 50 0 IFAARN COc1ccccc1N1CCN(C(=O)C[C@@H](Cn2cnnn2)c2ccc(Cl)cc2)CC1 ZINC000095472662 569372129 /nfs/dbraw/zinc/37/21/29/569372129.db2.gz AGMKLYRRJNDBNH-SFHVURJKSA-N 0 0 440.935 2.858 50 0 IFAARN COc1ccc(CCc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)[nH]2)cc1OC ZINC000095473383 569372270 /nfs/dbraw/zinc/37/22/70/569372270.db2.gz ZLIKGXWQSBBAKK-MRXNPFEDSA-N 0 0 435.484 2.599 50 0 IFAARN O=C(NCCc1ccc(O)cc1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095476110 569372959 /nfs/dbraw/zinc/37/29/59/569372959.db2.gz LRAGPMMITCLNIH-CYBMUJFWSA-N 0 0 443.301 2.743 50 0 IFAARN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095476540 569372986 /nfs/dbraw/zinc/37/29/86/569372986.db2.gz KJNUKRFRSXBLNO-LZMFZKJZSA-N 0 0 446.551 2.602 50 0 IFAARN COc1cn(CC(=O)NCCc2ccccc2)c(CN2CCc3ccccc3C2)cc1=O ZINC000095477054 569373170 /nfs/dbraw/zinc/37/31/70/569373170.db2.gz GFVGCEMMTMYQOI-UHFFFAOYSA-N 0 0 431.536 2.774 50 0 IFAARN COc1ccc(CCc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)[nH]2)cc1 ZINC000095477773 569373360 /nfs/dbraw/zinc/37/33/60/569373360.db2.gz LIQQQGVONOYABE-MRXNPFEDSA-N 0 0 435.484 2.599 50 0 IFAARN COc1ccc2c(ccn2CCNC(=O)C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)c1 ZINC000095478736 569373511 /nfs/dbraw/zinc/37/35/11/569373511.db2.gz YMNRFLKDCORMEU-HXUWFJFHSA-N 0 0 434.496 2.524 50 0 IFAARN O=C(NCCn1ccc2ccccc21)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000095480045 569373828 /nfs/dbraw/zinc/37/38/28/569373828.db2.gz RQISDVQXMOAKDR-UHFFFAOYSA-N 0 0 429.517 2.998 50 0 IFAARN Cc1ccc(SCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 ZINC000095482533 569374397 /nfs/dbraw/zinc/37/43/97/569374397.db2.gz ASTJUBSDKZOLGV-UHFFFAOYSA-N 0 0 447.626 2.762 50 0 IFAARN Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000095482524 569374479 /nfs/dbraw/zinc/37/44/79/569374479.db2.gz JEEBRBZWJMDYJS-LJQANCHMSA-N 0 0 429.586 2.682 50 0 IFAARN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2OC)[C@@H]1OC ZINC000095941977 569375582 /nfs/dbraw/zinc/37/55/82/569375582.db2.gz ZNELTWSJFPPVIB-GYSYKLTISA-N 0 0 428.732 2.582 50 0 IFAARN Cc1nc(CN2CCCN(C(=O)c3cc(Br)c(C)[nH]c3=O)CC2)cs1 ZINC000095943995 569375723 /nfs/dbraw/zinc/37/57/23/569375723.db2.gz FZPXCCCYAJVXTO-UHFFFAOYSA-N 0 0 425.352 2.971 50 0 IFAARN CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(Cl)c(F)c3)C2)cc1 ZINC000095946328 569376092 /nfs/dbraw/zinc/37/60/92/569376092.db2.gz QIDQMKNUXUFJDF-KRWDZBQOSA-N 0 0 445.925 2.961 50 0 IFAARN Cc1c(C(=O)OC[C@@H](COc2ccc(Cl)cc2)OC(=O)c2cnn(C)c2C)cnn1C ZINC000095979709 569377784 /nfs/dbraw/zinc/37/77/84/569377784.db2.gz PSTMUKWNYNDUNJ-QGZVFWFLSA-N 0 0 446.891 2.885 50 0 IFAARN CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000095984480 569378003 /nfs/dbraw/zinc/37/80/03/569378003.db2.gz MBQHSWRUARPGQM-UHFFFAOYSA-N 0 0 438.590 2.642 50 0 IFAARN CC(C)(CNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)NS(C)(=O)=O ZINC000095993645 569378494 /nfs/dbraw/zinc/37/84/94/569378494.db2.gz CAWOMKDUNDXIEY-KGLIPLIRSA-N 0 0 426.970 2.934 50 0 IFAARN O=S(=O)(c1ccc(N2CCC[C@H](n3nccc3C(F)(F)F)C2)nc1)N1CCCC1 ZINC000095994812 569378632 /nfs/dbraw/zinc/37/86/32/569378632.db2.gz STAMVFWKBBDRGN-AWEZNQCLSA-N 0 0 429.468 2.923 50 0 IFAARN C[C@@H](CNc1nc2ccc(Cl)cc2c(NC[C@H](C)N2CCOCC2)n1)N1CCOCC1 ZINC000096011508 569379763 /nfs/dbraw/zinc/37/97/63/569379763.db2.gz QEOBSEGABWBLTI-IRXDYDNUSA-N 0 0 448.999 2.548 50 0 IFAARN O=C(CO)N1CCN(c2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)CC1 ZINC000096011608 569379881 /nfs/dbraw/zinc/37/98/81/569379881.db2.gz OOTNWJCVGJGWJZ-UHFFFAOYSA-N 0 0 436.203 2.796 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H]2CS(=O)(=O)c2ccccc2)cc1F ZINC000096025557 569380607 /nfs/dbraw/zinc/38/06/07/569380607.db2.gz FLIAHZHRIBPZDK-HNNXBMFYSA-N 0 0 427.519 2.851 50 0 IFAARN Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc4c(c3)N(C(=O)c3ccco3)CC4)cc21 ZINC000096025678 569380765 /nfs/dbraw/zinc/38/07/65/569380765.db2.gz AIJLLHDKZZDELL-UHFFFAOYSA-N 0 0 439.449 2.728 50 0 IFAARN O=C(c1ccc(-n2cncn2)nn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000096097839 569381386 /nfs/dbraw/zinc/38/13/86/569381386.db2.gz QOVYTTIAWAXTGT-UHFFFAOYSA-N 0 0 425.496 2.605 50 0 IFAARN O=C(COc1ccc(F)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1Cl)C2=O ZINC000096105525 569382465 /nfs/dbraw/zinc/38/24/65/569382465.db2.gz RJNPFIRIZIXRAY-UHFFFAOYSA-N 0 0 445.878 2.971 50 0 IFAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4c(c3)C(=O)N3CCC[C@H]3C(=O)N4)ccc12 ZINC000096113906 569382693 /nfs/dbraw/zinc/38/26/93/569382693.db2.gz BKPQSPSXXZZMBL-IBGZPJMESA-N 0 0 447.447 2.676 50 0 IFAARN CC(C)Cn1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc2c1=O ZINC000096115490 569383291 /nfs/dbraw/zinc/38/32/91/569383291.db2.gz ZVWNORROGGUXBB-BJLQDIEVSA-N 0 0 443.573 2.717 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc4ccccc4s3)C2=O)cc1OC ZINC000096117461 569384044 /nfs/dbraw/zinc/38/40/44/569384044.db2.gz SZIHFBLUVNTRST-AWEZNQCLSA-N 0 0 440.481 2.763 50 0 IFAARN CSCC[C@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)c1nnc2ccccn21 ZINC000096118074 569384377 /nfs/dbraw/zinc/38/43/77/569384377.db2.gz KXBRBKJSPLPVAS-HNNXBMFYSA-N 0 0 440.554 2.625 50 0 IFAARN Cc1nnsc1C(=O)N1CCC(CNC(=O)c2cc(Br)cs2)CC1 ZINC000096120390 569384945 /nfs/dbraw/zinc/38/49/45/569384945.db2.gz UURYGQJNWLBTDH-UHFFFAOYSA-N 0 0 429.365 2.953 50 0 IFAARN Cn1c(=O)oc2ccc(S(=O)(=O)NCCn3nc(-c4cccs4)cc3C3CC3)cc21 ZINC000096121633 569385135 /nfs/dbraw/zinc/38/51/35/569385135.db2.gz SEGIXKZIYRVSJE-UHFFFAOYSA-N 0 0 444.538 2.912 50 0 IFAARN CO[C@@](C)(CNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccccc1F ZINC000096123644 569385202 /nfs/dbraw/zinc/38/52/02/569385202.db2.gz JRPDZXSYIURVCT-QHCPKHFHSA-N 0 0 427.476 2.959 50 0 IFAARN CO[C@@](C)(CNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccccc1F ZINC000096123646 569385299 /nfs/dbraw/zinc/38/52/99/569385299.db2.gz QONUUTDSAQXSFR-DEOSSOPVSA-N 0 0 439.487 2.668 50 0 IFAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124260 569385527 /nfs/dbraw/zinc/38/55/27/569385527.db2.gz NONGONKXPVXWPQ-UHFFFAOYSA-N 0 0 438.542 2.513 50 0 IFAARN O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1ccc2cc(Br)ccc21 ZINC000096125516 569385695 /nfs/dbraw/zinc/38/56/95/569385695.db2.gz PBNREKYKTHGJHX-UHFFFAOYSA-N 0 0 432.318 2.839 50 0 IFAARN O=C(/C=C\c1ccc2c(c1)OCO2)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000096129690 569385780 /nfs/dbraw/zinc/38/57/80/569385780.db2.gz BHYGXDVVMXTGQG-LUAWRHEFSA-N 0 0 428.510 2.920 50 0 IFAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000096143182 569385880 /nfs/dbraw/zinc/38/58/80/569385880.db2.gz FXNNQGVGGYQOCH-JOCHJYFZSA-N 0 0 431.939 2.913 50 0 IFAARN CN1CCN(C(=O)[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000096211297 569386566 /nfs/dbraw/zinc/38/65/66/569386566.db2.gz DWIIHEIPCITTLN-QZTJIDSGSA-N 0 0 435.446 2.928 50 0 IFAARN COc1cc([C@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)NCc2ccccn2)cc(OC)c1OC ZINC000096211399 569386791 /nfs/dbraw/zinc/38/67/91/569386791.db2.gz AOKDKYOGEIXDDQ-RTBURBONSA-N 0 0 441.528 2.622 50 0 IFAARN CSCC[C@@H]1NC(=O)c2cc(NC(=O)c3cc(-c4cccnc4)[nH]n3)ccc2NC1=O ZINC000096221560 569386856 /nfs/dbraw/zinc/38/68/56/569386856.db2.gz XGGRWEMOMMWJJT-INIZCTEOSA-N 0 0 436.497 2.528 50 0 IFAARN CC(C)Cn1c(CCCNC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 ZINC000096222518 569387136 /nfs/dbraw/zinc/38/71/36/569387136.db2.gz XCTYGGWFIIAWRR-HXUWFJFHSA-N 0 0 447.539 2.882 50 0 IFAARN CC(C)Cn1c(CCCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 ZINC000096222521 569387172 /nfs/dbraw/zinc/38/71/72/569387172.db2.gz XCTYGGWFIIAWRR-FQEVSTJZSA-N 0 0 447.539 2.882 50 0 IFAARN COC(=O)C[C@H](c1cnn2cccnc12)c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F ZINC000096224091 569387325 /nfs/dbraw/zinc/38/73/25/569387325.db2.gz MTNINGRYDIIAQC-LLVKDONJSA-N 0 0 431.374 2.861 50 0 IFAARN CSCC[C@H](NC(=O)CCCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2[nH]1 ZINC000096222987 569387366 /nfs/dbraw/zinc/38/73/66/569387366.db2.gz GCHSGZDDHHCMNA-SFHVURJKSA-N 0 0 437.525 2.945 50 0 IFAARN COC(=O)c1nc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1C(C)C ZINC000096230927 569387422 /nfs/dbraw/zinc/38/74/22/569387422.db2.gz IRMPZMWLYPVVMQ-AWEZNQCLSA-N 0 0 444.513 2.892 50 0 IFAARN COc1ccc2cnn(CC(=O)NCc3nc4ccccc4n3CC(C)C)c(=O)c2c1OC ZINC000096230792 569387439 /nfs/dbraw/zinc/38/74/39/569387439.db2.gz HQEXZIVATPGYES-UHFFFAOYSA-N 0 0 449.511 2.736 50 0 IFAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@H](C(=O)NC1CC1)N2C(=O)c1ccccc1 ZINC000096274896 569388193 /nfs/dbraw/zinc/38/81/93/569388193.db2.gz UPQVOXORWYJXPE-JOCHJYFZSA-N 0 0 447.535 2.747 50 0 IFAARN CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1 ZINC000096279373 569389300 /nfs/dbraw/zinc/38/93/00/569389300.db2.gz WVEIDQCUXHUHDM-NRFANRHFSA-N 0 0 440.569 2.607 50 0 IFAARN CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccccc1C ZINC000096281301 569389756 /nfs/dbraw/zinc/38/97/56/569389756.db2.gz NETTUWWXJZMQLY-KRWDZBQOSA-N 0 0 432.480 2.830 50 0 IFAARN CCNC(=O)N1CCc2nc(N3CCN(C)CC3)nc(Oc3ccc(F)c(C)c3)c2C1 ZINC000096281895 569390192 /nfs/dbraw/zinc/39/01/92/569390192.db2.gz LTYNSSBUHIBJDR-UHFFFAOYSA-N 0 0 428.512 2.556 50 0 IFAARN CCN1C2=C(C(=O)N(C(C)(C)C(=O)NCc3cccnc3)C2)[C@H](c2ccc(C)cc2)NC1=O ZINC000096291292 569391155 /nfs/dbraw/zinc/39/11/55/569391155.db2.gz LQXZMVYGVRLXBG-NRFANRHFSA-N 0 0 447.539 2.668 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Cl)cc3)ccc2=O)c(C)c1 ZINC000096307739 569392166 /nfs/dbraw/zinc/39/21/66/569392166.db2.gz KIEKOKFNQPLRCR-UHFFFAOYSA-N 0 0 431.901 2.985 50 0 IFAARN CCOc1ccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)NCc3ccco3)c2=O)cc1 ZINC000096318202 569393796 /nfs/dbraw/zinc/39/37/96/569393796.db2.gz BXLQZCYWTNMEPX-UHFFFAOYSA-N 0 0 433.464 2.769 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)N(CC)c4ccccc4)cc3oc2=O)no1 ZINC000096322100 569394365 /nfs/dbraw/zinc/39/43/65/569394365.db2.gz DXFDEWFJANMQSO-UHFFFAOYSA-N 0 0 428.470 2.803 50 0 IFAARN O=c1oc2cc(S(=O)(=O)NC3CCCCCC3)ccc2n1Cc1noc(C2CC2)n1 ZINC000096322142 569394418 /nfs/dbraw/zinc/39/44/18/569394418.db2.gz OAWCIWVRMASBLN-UHFFFAOYSA-N 0 0 432.502 2.904 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000096323394 569395217 /nfs/dbraw/zinc/39/52/17/569395217.db2.gz GCAHAPCQROCISP-UHFFFAOYSA-N 0 0 438.981 2.810 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000096323368 569395235 /nfs/dbraw/zinc/39/52/35/569395235.db2.gz ZKLXKUDOXSWGQY-UHFFFAOYSA-N 0 0 426.489 2.506 50 0 IFAARN COc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)cc1OC ZINC000096324647 569395917 /nfs/dbraw/zinc/39/59/17/569395917.db2.gz BSOIMOHSQVCZMV-UHFFFAOYSA-N 0 0 435.484 2.980 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)c(OC)c1 ZINC000096324721 569395978 /nfs/dbraw/zinc/39/59/78/569395978.db2.gz SMUVUKGDLJTIRX-INIZCTEOSA-N 0 0 435.484 2.980 50 0 IFAARN COc1cc(Cl)ccc1C(=O)N1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000096324869 569396195 /nfs/dbraw/zinc/39/61/95/569396195.db2.gz VBPMICJAKLUYLN-UHFFFAOYSA-N 0 0 425.876 2.732 50 0 IFAARN O=C(c1cccc(F)c1)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000096333103 569396534 /nfs/dbraw/zinc/39/65/34/569396534.db2.gz NLFZKMWVCJBLAC-UHFFFAOYSA-N 0 0 443.482 2.941 50 0 IFAARN CCC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000096332568 569396559 /nfs/dbraw/zinc/39/65/59/569396559.db2.gz AZJGVDBAHGWITK-MRXNPFEDSA-N 0 0 426.473 2.548 50 0 IFAARN COC(=O)c1nc(NC(=O)Cn2nc3c(cc2=O)CCCC3)sc1Cc1ccccc1 ZINC000096345610 569397158 /nfs/dbraw/zinc/39/71/58/569397158.db2.gz MBUSNLBXWUISDJ-UHFFFAOYSA-N 0 0 438.509 2.595 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](O)c3ccc4c(c3)CCN4C)n(C)n2)c1 ZINC000096362528 569397716 /nfs/dbraw/zinc/39/77/16/569397716.db2.gz WIGDHXAZQPHXGH-QFIPXVFZSA-N 0 0 436.512 2.560 50 0 IFAARN COc1cc(/C=C/C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc(OC)c1OC ZINC000096374594 569398242 /nfs/dbraw/zinc/39/82/42/569398242.db2.gz PBSLJQPZIWJNNV-VOTSOKGWSA-N 0 0 425.547 2.787 50 0 IFAARN Cc1oc(C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)nc1C(=O)N1CCOCC1 ZINC000096397163 569399473 /nfs/dbraw/zinc/39/94/73/569399473.db2.gz KXMVIOSNIUUDCQ-UHFFFAOYSA-N 0 0 447.557 2.641 50 0 IFAARN Cc1nn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c2nc(C(C)C)sc21 ZINC000096400124 569400402 /nfs/dbraw/zinc/40/04/02/569400402.db2.gz YGTULNBGNPSYLL-UHFFFAOYSA-N 0 0 429.521 2.773 50 0 IFAARN COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000096476055 569400940 /nfs/dbraw/zinc/40/09/40/569400940.db2.gz DQDHQTWVXNLCBE-SXGWCWSVSA-N 0 0 425.441 2.552 50 0 IFAARN O=C(c1cc(-c2ccco2)n[nH]1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000225543517 569404031 /nfs/dbraw/zinc/40/40/31/569404031.db2.gz OKCJCFNHACDFDW-UHFFFAOYSA-N 0 0 436.447 2.778 50 0 IFAARN Cc1ccccc1-n1c(CC2CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC2)n[nH]c1=O ZINC000225549188 569404190 /nfs/dbraw/zinc/40/41/90/569404190.db2.gz GEYXTGGVIRIANS-INIZCTEOSA-N 0 0 443.548 2.563 50 0 IFAARN COc1ccc(CCN2CC(=O)N(c3ccc(C(C)C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000055408752 569404725 /nfs/dbraw/zinc/40/47/25/569404725.db2.gz PHSZYXVIIVCIFK-XZOQPEGZSA-N 0 0 442.581 2.876 50 0 IFAARN Cc1cc(OCn2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)n2)cc(C)c1Cl ZINC000027972871 569404949 /nfs/dbraw/zinc/40/49/49/569404949.db2.gz XBGCAIACJRSLMF-UHFFFAOYSA-N 0 0 448.932 2.767 50 0 IFAARN O=C(CCC(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1)c1ccc(Cl)cc1 ZINC000225600949 569405451 /nfs/dbraw/zinc/40/54/51/569405451.db2.gz FQCJGQDURBZIQM-UHFFFAOYSA-N 0 0 428.920 2.820 50 0 IFAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccnc(-c3cccs3)c2)cc1 ZINC000225653701 569406482 /nfs/dbraw/zinc/40/64/82/569406482.db2.gz CBKBWZMCLILYDU-UHFFFAOYSA-N 0 0 427.507 2.942 50 0 IFAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@H](O)c2csc3ccccc32)cc1 ZINC000225697879 569407342 /nfs/dbraw/zinc/40/73/42/569407342.db2.gz IUZZOWVGGYFMLH-KRWDZBQOSA-N 0 0 430.507 2.567 50 0 IFAARN O=C(c1ccccc1)N1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)CC1 ZINC000225730549 569407550 /nfs/dbraw/zinc/40/75/50/569407550.db2.gz QMWKKXBWIGDCPK-UHFFFAOYSA-N 0 0 447.461 2.696 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)C1 ZINC000225729180 569407576 /nfs/dbraw/zinc/40/75/76/569407576.db2.gz QIRWJKHZHGDCRB-AWEZNQCLSA-N 0 0 443.470 2.791 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225732652 569407660 /nfs/dbraw/zinc/40/76/60/569407660.db2.gz NEDFIOPBNXUDQY-OAHLLOKOSA-N 0 0 428.432 2.944 50 0 IFAARN O=C(c1cncc(Br)c1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000225743202 569408015 /nfs/dbraw/zinc/40/80/15/569408015.db2.gz QLMQIHCUHJBSTA-UHFFFAOYSA-N 0 0 441.333 2.728 50 0 IFAARN Cc1noc(-c2ccn3c(c2)nnc3CNC(=O)Cc2ccccc2Br)n1 ZINC000225745942 569408101 /nfs/dbraw/zinc/40/81/01/569408101.db2.gz WKNJYCCPJVOEON-UHFFFAOYSA-N 0 0 427.262 2.709 50 0 IFAARN O=C(c1cc2ccccc2oc1=O)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000225820073 569409089 /nfs/dbraw/zinc/40/90/89/569409089.db2.gz HURNLUYKOIODAT-UHFFFAOYSA-N 0 0 431.448 2.866 50 0 IFAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000028337758 569409734 /nfs/dbraw/zinc/40/97/34/569409734.db2.gz LKXMMZSRCHQMET-ZHAHRWAOSA-N 0 0 436.917 2.991 50 0 IFAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O ZINC000002616353 569410158 /nfs/dbraw/zinc/41/01/58/569410158.db2.gz JQXYRKSZZZENKK-FQEVSTJZSA-N 0 0 448.292 2.714 50 0 IFAARN COc1ccc(C(=O)Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1 ZINC000002621127 569411109 /nfs/dbraw/zinc/41/11/09/569411109.db2.gz ATAZLZNSWPRBEY-UHFFFAOYSA-N 0 0 433.511 2.578 50 0 IFAARN COc1ccccc1C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000002626795 569411810 /nfs/dbraw/zinc/41/18/10/569411810.db2.gz SODWOCLEVWZEJA-UHFFFAOYSA-N 0 0 429.450 2.806 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](SC(=S)N3C[C@@H](C)O[C@@H](C)C3)C2=O)cc1 ZINC000215686680 569412191 /nfs/dbraw/zinc/41/21/91/569412191.db2.gz MEGUYTZYQCPVGH-DVOMOZLQSA-N 0 0 436.555 2.623 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)cc(C(=O)OC)c1 ZINC000002631427 569412418 /nfs/dbraw/zinc/41/24/18/569412418.db2.gz GGCGTVDPODBATC-IBGZPJMESA-N 0 0 442.468 2.662 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)Nc1ccc(F)cc1 ZINC000002635594 569412928 /nfs/dbraw/zinc/41/29/28/569412928.db2.gz NUZOALYRYOWKNI-UHFFFAOYSA-N 0 0 439.420 2.998 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000002636263 569412987 /nfs/dbraw/zinc/41/29/87/569412987.db2.gz DLTYCAZKSXPPJT-ZDUSSCGKSA-N 0 0 445.522 2.902 50 0 IFAARN COC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000002637392 569413194 /nfs/dbraw/zinc/41/31/94/569413194.db2.gz FQEOOQBAOUKJTP-UHFFFAOYSA-N 0 0 443.550 2.707 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCc2ccccc21 ZINC000002640363 569413684 /nfs/dbraw/zinc/41/36/84/569413684.db2.gz SVYQHCHEBILHQY-UHFFFAOYSA-N 0 0 440.477 2.504 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000002643483 569413952 /nfs/dbraw/zinc/41/39/52/569413952.db2.gz KKMSRIAJMDZNQO-CYBMUJFWSA-N 0 0 431.286 2.700 50 0 IFAARN COc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC000002652282 569415007 /nfs/dbraw/zinc/41/50/07/569415007.db2.gz CUVUBRNYTZMJSJ-UHFFFAOYSA-N 0 0 446.525 2.974 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000002663169 569416249 /nfs/dbraw/zinc/41/62/49/569416249.db2.gz XEPIKMBSNVINOR-UHFFFAOYSA-N 0 0 440.525 2.705 50 0 IFAARN CCCCCCn1nc(C(=O)OCn2nnc3ccccc3c2=O)c2ccccc2c1=O ZINC000002662597 569416294 /nfs/dbraw/zinc/41/62/94/569416294.db2.gz GSAVILWOKVIQKA-UHFFFAOYSA-N 0 0 433.468 2.896 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000028643990 569416651 /nfs/dbraw/zinc/41/66/51/569416651.db2.gz ZTXQMUAETZXQRX-HNAYVOBHSA-N 0 0 430.526 2.709 50 0 IFAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@@H](C)C(=O)N2CCOCC2)c1 ZINC000028673576 569417132 /nfs/dbraw/zinc/41/71/32/569417132.db2.gz AJWDSTSSOWZZTB-KRWDZBQOSA-N 0 0 435.480 2.952 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000230025617 569417772 /nfs/dbraw/zinc/41/77/72/569417772.db2.gz SWAYBVRZRWRULQ-NQIIRXRSSA-N 0 0 443.544 2.865 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)Nc1ccc(F)c(F)c1 ZINC000028721395 569418859 /nfs/dbraw/zinc/41/88/59/569418859.db2.gz XBFOPEIFTZWHEO-QFIPXVFZSA-N 0 0 439.466 2.879 50 0 IFAARN CNC(=S)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000002746930 569420078 /nfs/dbraw/zinc/42/00/78/569420078.db2.gz CYBRUUUSUZRRMD-OAHLLOKOSA-N 0 0 431.901 2.707 50 0 IFAARN CCn1cc(Br)c(C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)n1 ZINC000002769104 569420846 /nfs/dbraw/zinc/42/08/46/569420846.db2.gz HIOQGACMVBORNS-UHFFFAOYSA-N 0 0 443.323 2.952 50 0 IFAARN Cc1nn(C)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCC4)c1Br ZINC000002777935 569420875 /nfs/dbraw/zinc/42/08/75/569420875.db2.gz ZDKUQXPDKANLMM-UHFFFAOYSA-N 0 0 436.335 2.834 50 0 IFAARN CC(C)OC(=O)c1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)sc2c1CCCC2 ZINC000002803656 569422540 /nfs/dbraw/zinc/42/25/40/569422540.db2.gz REZMHEVQRAPJJA-UHFFFAOYSA-N 0 0 428.576 2.802 50 0 IFAARN Cc1nnc2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3cccc(Cl)c3C)c(N)c1-2 ZINC000002927215 569425775 /nfs/dbraw/zinc/42/57/75/569425775.db2.gz DODKOGMWUAJBEA-CYBMUJFWSA-N 0 0 446.964 2.886 50 0 IFAARN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1 ZINC000056945131 569427965 /nfs/dbraw/zinc/42/79/65/569427965.db2.gz NGAYKGZBLLJGOU-HSZRJFAPSA-N 0 0 446.551 2.884 50 0 IFAARN O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NCCc1ccccc1 ZINC000056949839 569428335 /nfs/dbraw/zinc/42/83/35/569428335.db2.gz JBOYZAUXDYROER-UHFFFAOYSA-N 0 0 447.535 2.700 50 0 IFAARN O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000056997384 569428780 /nfs/dbraw/zinc/42/87/80/569428780.db2.gz LTOREJJJJBVFNA-SFHVURJKSA-N 0 0 426.948 2.631 50 0 IFAARN COc1ccc([C@H](CNC(=O)NCCOc2cccc(C)c2)N2CCOCC2)cc1OC ZINC000029338475 569429745 /nfs/dbraw/zinc/42/97/45/569429745.db2.gz DSJODKWNWQRTLZ-NRFANRHFSA-N 0 0 443.544 2.764 50 0 IFAARN NC(=O)[C@@H]1CN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c2ccccc2O1 ZINC000029357181 569429897 /nfs/dbraw/zinc/42/98/97/569429897.db2.gz IIRXTESHUOJNPD-IBGZPJMESA-N 0 0 449.536 2.575 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C ZINC000057270855 569430352 /nfs/dbraw/zinc/43/03/52/569430352.db2.gz PALJBXMSOJGLGP-INIZCTEOSA-N 0 0 449.548 2.941 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000057292067 569430468 /nfs/dbraw/zinc/43/04/68/569430468.db2.gz LAZMRCNEJZBANI-GOSISDBHSA-N 0 0 427.570 2.817 50 0 IFAARN CN(CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2s1 ZINC000057350748 569431297 /nfs/dbraw/zinc/43/12/97/569431297.db2.gz STOWUAHQLDEXHG-KRWDZBQOSA-N 0 0 429.567 2.948 50 0 IFAARN Cc1nc2scc(-c3ccccc3)c2c(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000057380572 569432617 /nfs/dbraw/zinc/43/26/17/569432617.db2.gz VZIAOHUAVFDVIC-QGZVFWFLSA-N 0 0 428.583 2.976 50 0 IFAARN Cc1cc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccco2)OCO4)no1 ZINC000002974136 569433539 /nfs/dbraw/zinc/43/35/39/569433539.db2.gz VDZHRSDDHWCXID-UHFFFAOYSA-N 0 0 440.437 2.794 50 0 IFAARN COC(=O)C1C(CN2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057414244 569433811 /nfs/dbraw/zinc/43/38/11/569433811.db2.gz QLSPSGQQTDMGHL-QHCPKHFHSA-N 0 0 434.540 2.907 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415057 569434080 /nfs/dbraw/zinc/43/40/80/569434080.db2.gz RMWSOUBTYDKUBO-OAQYLSRUSA-N 0 0 440.931 2.943 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3cc(C)ccc3C)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000057415947 569434260 /nfs/dbraw/zinc/43/42/60/569434260.db2.gz AHDYVZLAXNFDGH-OAQYLSRUSA-N 0 0 440.569 2.968 50 0 IFAARN COCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2ccsc2c1=O ZINC000057425859 569434479 /nfs/dbraw/zinc/43/44/79/569434479.db2.gz LHOSHMUXHUHCLP-UHFFFAOYSA-N 0 0 432.527 2.794 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3nc2SCC(=O)NC[C@H]2CCCO2)c1 ZINC000057426155 569434527 /nfs/dbraw/zinc/43/45/27/569434527.db2.gz WSPHGTRIDLNZLN-MRXNPFEDSA-N 0 0 445.566 2.902 50 0 IFAARN CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)c1 ZINC000057428048 569434831 /nfs/dbraw/zinc/43/48/31/569434831.db2.gz IDSNHHLTUPMSIT-UHFFFAOYSA-N 0 0 439.493 2.581 50 0 IFAARN COC(=O)c1ccccc1N(CC(=O)c1ccc(Br)s1)S(C)(=O)=O ZINC000057486384 569436456 /nfs/dbraw/zinc/43/64/56/569436456.db2.gz DGGAAVYTBGACQL-UHFFFAOYSA-N 0 0 432.317 2.946 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2C)c1=O ZINC000057489672 569437052 /nfs/dbraw/zinc/43/70/52/569437052.db2.gz IGVXVCKIQXPMMW-UHFFFAOYSA-N 0 0 449.488 2.948 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3)c2=O)cc1 ZINC000057490158 569437155 /nfs/dbraw/zinc/43/71/55/569437155.db2.gz MTCHKWIZDHFTGI-UHFFFAOYSA-N 0 0 435.505 2.847 50 0 IFAARN CC[C@H](C)NC(=O)Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O ZINC000057503266 569438073 /nfs/dbraw/zinc/43/80/73/569438073.db2.gz LIVZUSSITWRRFE-LBPRGKRZSA-N 0 0 426.864 2.781 50 0 IFAARN CC(C)(C)NC(=O)Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O ZINC000057503375 569438109 /nfs/dbraw/zinc/43/81/09/569438109.db2.gz MLTCCNMVYJNUOH-UHFFFAOYSA-N 0 0 426.864 2.781 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc32)cc1 ZINC000057507130 569438300 /nfs/dbraw/zinc/43/83/00/569438300.db2.gz DRRUXDLSJUTANP-UHFFFAOYSA-N 0 0 444.542 2.612 50 0 IFAARN CCc1cc(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c(-c2ccc(F)cc2)n1 ZINC000057508498 569438393 /nfs/dbraw/zinc/43/83/93/569438393.db2.gz MKXFTDSGSBRNJX-UHFFFAOYSA-N 0 0 439.487 2.988 50 0 IFAARN CCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N1CCN(c2ccccc2OC)CC1 ZINC000057521747 569438982 /nfs/dbraw/zinc/43/89/82/569438982.db2.gz BKWQKQOWCGWZJB-UHFFFAOYSA-N 0 0 441.557 2.502 50 0 IFAARN COc1ccc(NC(=O)COc2cc(CC(=O)NC3CC3)nc(-c3ccccc3)n2)cc1 ZINC000057522496 569439000 /nfs/dbraw/zinc/43/90/00/569439000.db2.gz SMPKTBOSMQBTNK-UHFFFAOYSA-N 0 0 432.480 2.991 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230130038 569439089 /nfs/dbraw/zinc/43/90/89/569439089.db2.gz JHHVXLQUXXBDDO-GGAORHGYSA-N 0 0 447.514 2.808 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(C)C)c2=O)c(OC)c1 ZINC000057525849 569439116 /nfs/dbraw/zinc/43/91/16/569439116.db2.gz RMWMXKXRIANQEF-UHFFFAOYSA-N 0 0 425.485 2.865 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cc(C)ccc3C)CC2)c1 ZINC000057553654 569439787 /nfs/dbraw/zinc/43/97/87/569439787.db2.gz SADUVJRKLXSAKY-GOSISDBHSA-N 0 0 443.569 2.840 50 0 IFAARN O=C(c1cccc(F)c1)N1CCCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000029997597 569440117 /nfs/dbraw/zinc/44/01/17/569440117.db2.gz IZFFPRIDTPNYSC-UHFFFAOYSA-N 0 0 439.539 2.564 50 0 IFAARN CCOc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000057738392 569441159 /nfs/dbraw/zinc/44/11/59/569441159.db2.gz PLYIDAGUNBEPRI-VQTJNVASSA-N 0 0 434.945 2.753 50 0 IFAARN CCOc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000057738398 569441170 /nfs/dbraw/zinc/44/11/70/569441170.db2.gz PLYIDAGUNBEPRI-PMACEKPBSA-N 0 0 434.945 2.753 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000057851529 569441967 /nfs/dbraw/zinc/44/19/67/569441967.db2.gz ASDCVEAEDKYLDK-SFHVURJKSA-N 0 0 443.569 2.840 50 0 IFAARN C[C@@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O ZINC000003240010 569442539 /nfs/dbraw/zinc/44/25/39/569442539.db2.gz JDLTVVQJISNBGP-NSHDSACASA-N 0 0 431.242 2.616 50 0 IFAARN CN(CC(=O)OCC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003269879 569443538 /nfs/dbraw/zinc/44/35/38/569443538.db2.gz DZWVJDSVCOBVDY-UHFFFAOYSA-N 0 0 428.938 2.510 50 0 IFAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2N(CCO)CCO)cc1 ZINC000003274992 569443674 /nfs/dbraw/zinc/44/36/74/569443674.db2.gz WJEPUOPQWMGWIJ-UHFFFAOYSA-N 0 0 436.917 2.927 50 0 IFAARN C[C@H]1CCc2c(sc3[nH]c(CSc4nnc(-c5cccnc5)n4N)nc(=O)c23)C1 ZINC000003275408 569443704 /nfs/dbraw/zinc/44/37/04/569443704.db2.gz RNVBGMGPVCONGC-JTQLQIEISA-N 0 0 425.543 2.769 50 0 IFAARN O=C(COc1ncnc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003277709 569443729 /nfs/dbraw/zinc/44/37/29/569443729.db2.gz LKJNTIRSWWBEPA-UHFFFAOYSA-N 0 0 426.498 2.822 50 0 IFAARN O=C(Nc1nnc([C@H]2CCCO2)o1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000227807269 569443903 /nfs/dbraw/zinc/44/39/03/569443903.db2.gz TXXVPVRILZKAOK-GHMZBOCLSA-N 0 0 446.938 2.675 50 0 IFAARN O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000030573559 569444013 /nfs/dbraw/zinc/44/40/13/569444013.db2.gz XZBBJFHLFQFECB-QGZVFWFLSA-N 0 0 426.542 2.713 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CN1C(=O)NC3(CCCCC3)C1=O)CCCC2 ZINC000003286301 569444124 /nfs/dbraw/zinc/44/41/24/569444124.db2.gz LASDTOJJVGOSRE-UHFFFAOYSA-N 0 0 433.530 2.997 50 0 IFAARN C[C@@H]1CCc2c(sc3[nH]c(COC(=O)c4nn(C)c(=O)c5ccccc54)nc(=O)c23)C1 ZINC000003290891 569444444 /nfs/dbraw/zinc/44/44/44/569444444.db2.gz FOKDMFWDQVWWAS-LLVKDONJSA-N 0 0 436.493 2.713 50 0 IFAARN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000058008843 569444749 /nfs/dbraw/zinc/44/47/49/569444749.db2.gz JLZGSXIQXSGTDS-UHFFFAOYSA-N 0 0 431.330 2.832 50 0 IFAARN O=C(COC(=O)CNC(=O)c1ccc(F)cc1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003312030 569445538 /nfs/dbraw/zinc/44/55/38/569445538.db2.gz YPFUXURMOHWJGW-UHFFFAOYSA-N 0 0 433.745 2.805 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c1 ZINC000003314532 569445621 /nfs/dbraw/zinc/44/56/21/569445621.db2.gz FKLYGCRAVHGLLH-UHFFFAOYSA-N 0 0 426.494 2.557 50 0 IFAARN Cc1noc(C)c1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000003316766 569445743 /nfs/dbraw/zinc/44/57/43/569445743.db2.gz IRAFYLOSBCFQRS-UHFFFAOYSA-N 0 0 449.312 2.976 50 0 IFAARN O=C(COC(=O)CNC(=O)c1cccc(F)c1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003317581 569445815 /nfs/dbraw/zinc/44/58/15/569445815.db2.gz RCTPBCCWADRBHH-UHFFFAOYSA-N 0 0 433.745 2.805 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)NC(C)(C)C ZINC000003319350 569445875 /nfs/dbraw/zinc/44/58/75/569445875.db2.gz FORVQKMQZJBIOF-UHFFFAOYSA-N 0 0 446.525 2.518 50 0 IFAARN COc1ccc(I)c(NC(=O)CN2C(=O)COc3ccccc32)c1 ZINC000058157378 569449053 /nfs/dbraw/zinc/44/90/53/569449053.db2.gz GLUJTKWMCIXLLX-UHFFFAOYSA-N 0 0 438.221 2.664 50 0 IFAARN O=C(COC(=O)CNC(=O)c1cccc(F)c1)NCCc1ccc(Cl)cc1Cl ZINC000003328919 569446282 /nfs/dbraw/zinc/44/62/82/569446282.db2.gz GZCZQMVJYRESSR-UHFFFAOYSA-N 0 0 427.259 2.764 50 0 IFAARN COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1 ZINC000058064365 569446434 /nfs/dbraw/zinc/44/64/34/569446434.db2.gz DIIJVSROLLYAQD-LJQANCHMSA-N 0 0 432.542 2.906 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000003343899 569446979 /nfs/dbraw/zinc/44/69/79/569446979.db2.gz DOKRXVMFFTXBMO-KRWDZBQOSA-N 0 0 444.509 2.607 50 0 IFAARN O=C(CSc1ncnc2sccc21)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000003345543 569447122 /nfs/dbraw/zinc/44/71/22/569447122.db2.gz VXQCMQRJWYAZPI-OAHLLOKOSA-N 0 0 433.580 2.999 50 0 IFAARN C[C@@H](Oc1nncc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003352966 569447462 /nfs/dbraw/zinc/44/74/62/569447462.db2.gz CKXPXJNBIBVRJP-OAHLLOKOSA-N 0 0 426.498 2.820 50 0 IFAARN O=C(COC(=O)CCCc1nc2ccccc2s1)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000003365970 569448133 /nfs/dbraw/zinc/44/81/33/569448133.db2.gz ZSGNAMAFPZBFRO-KRWDZBQOSA-N 0 0 440.477 2.645 50 0 IFAARN O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000003368768 569448269 /nfs/dbraw/zinc/44/82/69/569448269.db2.gz PBZCPARHETWLIX-OAHLLOKOSA-N 0 0 441.427 2.833 50 0 IFAARN O=C(Nc1cccc(OCCn2cccn2)c1)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000058157911 569449103 /nfs/dbraw/zinc/44/91/03/569449103.db2.gz NCFVMQLMAYTSGZ-UHFFFAOYSA-N 0 0 440.403 2.903 50 0 IFAARN CCn1c2ccccc2nc1SCC(=O)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000058162094 569449305 /nfs/dbraw/zinc/44/93/05/569449305.db2.gz XDNWAACDQUOFEE-INIZCTEOSA-N 0 0 436.628 2.625 50 0 IFAARN CCn1c2ccccc2nc1SCC(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000058162093 569449306 /nfs/dbraw/zinc/44/93/06/569449306.db2.gz XDNWAACDQUOFEE-MRXNPFEDSA-N 0 0 436.628 2.625 50 0 IFAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCc2ccccc21 ZINC000003392837 569449320 /nfs/dbraw/zinc/44/93/20/569449320.db2.gz UUWSGUGOTBIMHL-MRXNPFEDSA-N 0 0 428.510 2.606 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(Cl)cn1 ZINC000003392642 569449333 /nfs/dbraw/zinc/44/93/33/569449333.db2.gz HTDMESAPVWOKFP-UHFFFAOYSA-N 0 0 437.905 2.705 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(F)c(F)c1 ZINC000003392940 569449389 /nfs/dbraw/zinc/44/93/89/569449389.db2.gz UDPVQMHROMDBCU-UHFFFAOYSA-N 0 0 438.452 2.935 50 0 IFAARN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000058167778 569449480 /nfs/dbraw/zinc/44/94/80/569449480.db2.gz BHNUJWGKKIVIAT-ZDUSSCGKSA-N 0 0 433.421 2.817 50 0 IFAARN CCN(CC)c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000003396462 569449489 /nfs/dbraw/zinc/44/94/89/569449489.db2.gz FGLKVHBECZRSJZ-UHFFFAOYSA-N 0 0 427.457 2.809 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)COC(=O)c1cncc(Br)c1)CCCC2 ZINC000003408331 569450013 /nfs/dbraw/zinc/45/00/13/569450013.db2.gz WHCBXYSFRPYCGQ-UHFFFAOYSA-N 0 0 438.303 2.679 50 0 IFAARN O=C(c1n[nH]c2ccccc21)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000058229926 569450984 /nfs/dbraw/zinc/45/09/84/569450984.db2.gz CIQLYASAQKEURI-UHFFFAOYSA-N 0 0 438.431 2.819 50 0 IFAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)cc2)n1 ZINC000003459359 569451892 /nfs/dbraw/zinc/45/18/92/569451892.db2.gz PPXIHVZKLBYZIU-UHFFFAOYSA-N 0 0 430.555 2.697 50 0 IFAARN CC(C)CCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N ZINC000003468497 569452057 /nfs/dbraw/zinc/45/20/57/569452057.db2.gz SZDAFZWOTLRVEN-UHFFFAOYSA-N 0 0 431.349 2.930 50 0 IFAARN CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)NC(C)(C)C)cc3C2=O)cc1 ZINC000003471151 569452088 /nfs/dbraw/zinc/45/20/88/569452088.db2.gz DKWQMDJHCNDFND-UHFFFAOYSA-N 0 0 437.452 2.517 50 0 IFAARN COCCn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccc(Cl)cc1 ZINC000003494091 569452604 /nfs/dbraw/zinc/45/26/04/569452604.db2.gz WMSSFRXXLWHVON-UHFFFAOYSA-N 0 0 425.942 2.961 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1 ZINC000003492882 569452615 /nfs/dbraw/zinc/45/26/15/569452615.db2.gz GLLMHVSDNVMMHT-UHFFFAOYSA-N 0 0 430.921 2.813 50 0 IFAARN COC(=O)c1cc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c(F)cc1F ZINC000031029537 569452669 /nfs/dbraw/zinc/45/26/69/569452669.db2.gz BMFBQJLCTSLHQX-UHFFFAOYSA-N 0 0 432.470 2.852 50 0 IFAARN C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O ZINC000031040795 569452843 /nfs/dbraw/zinc/45/28/43/569452843.db2.gz YMRUOBOHGDHUGN-XMMPIXPASA-N 0 0 448.479 2.675 50 0 IFAARN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O ZINC000031040792 569452867 /nfs/dbraw/zinc/45/28/67/569452867.db2.gz YMRUOBOHGDHUGN-DEOSSOPVSA-N 0 0 448.479 2.675 50 0 IFAARN CCC(CC)NC(=O)COC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000003509789 569452922 /nfs/dbraw/zinc/45/29/22/569452922.db2.gz PVBNOOPMVUIWMN-UHFFFAOYSA-N 0 0 434.514 2.958 50 0 IFAARN COc1ccc(Br)cc1CCC(=O)N1CC[C@H](N2C(=O)CSC2=O)C1 ZINC000217783060 569453211 /nfs/dbraw/zinc/45/32/11/569453211.db2.gz ZEOSXADGBPIJCI-ZDUSSCGKSA-N 0 0 427.320 2.687 50 0 IFAARN CCc1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000003525549 569453261 /nfs/dbraw/zinc/45/32/61/569453261.db2.gz HQONFUQORCQBDK-UHFFFAOYSA-N 0 0 436.555 2.893 50 0 IFAARN O=c1cc(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)nc2sccn21 ZINC000003533991 569453488 /nfs/dbraw/zinc/45/34/88/569453488.db2.gz OXHZMELUEPSKCP-AWEZNQCLSA-N 0 0 426.523 2.937 50 0 IFAARN Nn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccc(OC(F)F)cc1 ZINC000003536265 569453504 /nfs/dbraw/zinc/45/35/04/569453504.db2.gz HQHKGFMWZLLKGJ-UHFFFAOYSA-N 0 0 431.424 2.649 50 0 IFAARN COc1ccc(CC(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000003558243 569453942 /nfs/dbraw/zinc/45/39/42/569453942.db2.gz FNPBMYTZQTXDQP-ODLFYWEKSA-N 0 0 440.477 2.819 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1C ZINC000003587803 569454489 /nfs/dbraw/zinc/45/44/89/569454489.db2.gz QSQUKGGBSWOBMC-UHFFFAOYSA-N 0 0 432.498 2.658 50 0 IFAARN COc1ccc(OC)c(CN2CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)c1 ZINC000031189335 569454641 /nfs/dbraw/zinc/45/46/41/569454641.db2.gz BAMYLSVAUWMTAN-UHFFFAOYSA-N 0 0 428.920 2.683 50 0 IFAARN Cc1c(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003600171 569454729 /nfs/dbraw/zinc/45/47/29/569454729.db2.gz XJDDTKZNGRVRHS-UHFFFAOYSA-N 0 0 435.267 2.982 50 0 IFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000031390952 569456269 /nfs/dbraw/zinc/45/62/69/569456269.db2.gz KKFYJHYZLHLJTL-HSZRJFAPSA-N 0 0 438.572 2.856 50 0 IFAARN COc1ccc(OC)c([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)c1 ZINC000031806786 569457467 /nfs/dbraw/zinc/45/74/67/569457467.db2.gz QDSLVSSWSCCSFF-QGZVFWFLSA-N 0 0 437.485 2.639 50 0 IFAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCN(C)CC3)nn1-c1ccc(F)cc1)C2 ZINC000031810747 569457676 /nfs/dbraw/zinc/45/76/76/569457676.db2.gz OROQGSHOYRSNHI-UHFFFAOYSA-N 0 0 436.487 2.987 50 0 IFAARN Cc1ccc(-n2nnc3c2ncnc3SCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000004057525 569458507 /nfs/dbraw/zinc/45/85/07/569458507.db2.gz ZQVCYCIXXORGQH-UHFFFAOYSA-N 0 0 445.552 2.960 50 0 IFAARN CCCCCNC(=O)[C@H](C)N1C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@]2(C)C1=O ZINC000004073852 569458673 /nfs/dbraw/zinc/45/86/73/569458673.db2.gz XDSRDKQMPDPDID-PSLXWICFSA-N 0 0 426.517 2.907 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1N1CCOCC1)c1ccccc1 ZINC000032017464 569458891 /nfs/dbraw/zinc/45/88/91/569458891.db2.gz WSPWAHLRLISHJE-QHCPKHFHSA-N 0 0 444.535 2.576 50 0 IFAARN CN1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)[C@@H](c2ccccc2)C1 ZINC000032058934 569458968 /nfs/dbraw/zinc/45/89/68/569458968.db2.gz NQAWEYNYAGOLDL-GOSISDBHSA-N 0 0 444.329 2.690 50 0 IFAARN Cc1nc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)sc1C ZINC000032071969 569459245 /nfs/dbraw/zinc/45/92/45/569459245.db2.gz GHFCCFTXODGCEY-KRWDZBQOSA-N 0 0 426.542 2.990 50 0 IFAARN CC[C@]1(C)Cc2nc3sc4c(ncn(CC(=O)NC[C@@H]5CCCO5)c4=O)c3cc2CO1 ZINC000032074531 569459340 /nfs/dbraw/zinc/45/93/40/569459340.db2.gz GKBVDDIHZIJTGV-RCDICMHDSA-N 0 0 442.541 2.543 50 0 IFAARN Cc1nonc1CN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000032093615 569459741 /nfs/dbraw/zinc/45/97/41/569459741.db2.gz XVATURWJKSYTLG-QGZVFWFLSA-N 0 0 434.294 2.565 50 0 IFAARN COc1cccc(-c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c3ccccc3n2)c1 ZINC000032096451 569459922 /nfs/dbraw/zinc/45/99/22/569459922.db2.gz DHWCKOLTVZBIBK-UHFFFAOYSA-N 0 0 425.510 2.628 50 0 IFAARN CCCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(OC)cc2OC)n(C)c1=O ZINC000004250826 569461381 /nfs/dbraw/zinc/46/13/81/569461381.db2.gz VDSSHPUKULFMDS-UHFFFAOYSA-N 0 0 425.489 2.573 50 0 IFAARN CCCCc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCOC)c4=O)cc1 ZINC000004251472 569461419 /nfs/dbraw/zinc/46/14/19/569461419.db2.gz PUTMYEPALLNVAP-INIZCTEOSA-N 0 0 425.533 2.674 50 0 IFAARN CC(=O)Nc1ccc2c(c1)OCCOCCOc1ccc(NC(C)=O)cc1OCCO2 ZINC000004257036 569461464 /nfs/dbraw/zinc/46/14/64/569461464.db2.gz IGISJKDGBDRMRI-UHFFFAOYSA-N 0 0 430.457 2.849 50 0 IFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000032449325 569461786 /nfs/dbraw/zinc/46/17/86/569461786.db2.gz WPOFPYLHQSGOAM-UHFFFAOYSA-N 0 0 438.490 2.846 50 0 IFAARN CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCc4[nH]c5ccccc5c4C3)cc(C3CC3)nc21 ZINC000032460226 569461794 /nfs/dbraw/zinc/46/17/94/569461794.db2.gz TXIWOXRXKZQZEN-UHFFFAOYSA-N 0 0 429.480 2.662 50 0 IFAARN Cn1c2ccc(C(=O)NCCOc3cccc4cccnc43)cc2nc1N1CC[C@H](O)C1 ZINC000670469513 569462453 /nfs/dbraw/zinc/46/24/53/569462453.db2.gz RZUGAHVTUXCYOV-SFHVURJKSA-N 0 0 431.496 2.501 50 0 IFAARN CCCCN(C(=O)CCOc1cc(C)ccc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000008232265 569462472 /nfs/dbraw/zinc/46/24/72/569462472.db2.gz QWWLUNZSPNLAPV-UHFFFAOYSA-N 0 0 430.549 2.994 50 0 IFAARN O=C(C1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCN(c2ccc(Cl)nn2)CC1 ZINC000038489487 569463108 /nfs/dbraw/zinc/46/31/08/569463108.db2.gz RMVYJUUAVKJDCY-UHFFFAOYSA-N 0 0 439.951 2.567 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000038565402 569464073 /nfs/dbraw/zinc/46/40/73/569464073.db2.gz SKVBSOAZLNQDKE-MRXNPFEDSA-N 0 0 444.531 2.986 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(NC(C)=O)c4)ncn3n2)cc1 ZINC000067208934 569464746 /nfs/dbraw/zinc/46/47/46/569464746.db2.gz QQFJEFKJHYDNFR-UHFFFAOYSA-N 0 0 430.468 2.718 50 0 IFAARN COC(=O)C1=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@]2(c2ccc(C)cc2)NN1 ZINC000008452322 569465122 /nfs/dbraw/zinc/46/51/22/569465122.db2.gz DEMYIHZNHIUYLU-QRWLVFNGSA-N 0 0 432.263 2.819 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)Nc4ccc(OC)c(OC)c4)c(=O)n3c(C)n2)cc1 ZINC000067226563 569465259 /nfs/dbraw/zinc/46/52/59/569465259.db2.gz SCTNOUSQVOUSGA-UHFFFAOYSA-N 0 0 449.467 2.531 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)c1 ZINC000067226247 569465292 /nfs/dbraw/zinc/46/52/92/569465292.db2.gz SNEURXUUBYLFEA-ZDUSSCGKSA-N 0 0 425.514 2.931 50 0 IFAARN Cn1cc(-c2ccccc2)c2c1c(=O)n(C)c(=O)n2CC(=O)NCc1ccc(Cl)cc1 ZINC000067235354 569465314 /nfs/dbraw/zinc/46/53/14/569465314.db2.gz YUAYQKQGCJYVOE-UHFFFAOYSA-N 0 0 436.899 2.676 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)NCc4ccc(Cl)cc4)c(=O)n3c(C)n2)cc1 ZINC000067226587 569465318 /nfs/dbraw/zinc/46/53/18/569465318.db2.gz GKIZHJXPRUMZEH-UHFFFAOYSA-N 0 0 437.887 2.845 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c2c(-c3ccccc3)cn(C)c2c(=O)n(C)c1=O ZINC000067235329 569465335 /nfs/dbraw/zinc/46/53/35/569465335.db2.gz WENJFPUXQKBUFM-SFHVURJKSA-N 0 0 444.535 2.843 50 0 IFAARN Cc1cc(NC(=O)Cn2nc3c(SCc4ccc(Cl)cc4)nccn3c2=O)n[nH]1 ZINC000067255501 569466077 /nfs/dbraw/zinc/46/60/77/569466077.db2.gz CSXGBGZAPWGCIL-UHFFFAOYSA-N 0 0 429.893 2.507 50 0 IFAARN COCc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c(N2CCCC2)n1 ZINC000067256897 569466092 /nfs/dbraw/zinc/46/60/92/569466092.db2.gz KEMUGMGJTRZRAG-UHFFFAOYSA-N 0 0 439.285 2.530 50 0 IFAARN O=C(c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1)N1CCN(c2ncccn2)CC1 ZINC000067262917 569466664 /nfs/dbraw/zinc/46/66/64/569466664.db2.gz VZHHMBMOLBIBDM-UHFFFAOYSA-N 0 0 446.902 2.735 50 0 IFAARN COc1cccc(-c2cc3c(N4CCC(C(=O)NC[C@@H]5CCCO5)CC4)nccn3n2)c1 ZINC000067263442 569466682 /nfs/dbraw/zinc/46/66/82/569466682.db2.gz PBVCQPZIADRTPB-FQEVSTJZSA-N 0 0 435.528 2.917 50 0 IFAARN COCC(=O)N1CCCc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc21 ZINC000038699664 569466756 /nfs/dbraw/zinc/46/67/56/569466756.db2.gz VKLSMYWPVNBMRF-MRXNPFEDSA-N 0 0 425.460 2.743 50 0 IFAARN CCc1ccc(-n2c(=O)nc3nc(N4CCN(c5ccccc5F)CC4)[nH]cc-3c2=O)cc1 ZINC000067264253 569466764 /nfs/dbraw/zinc/46/67/64/569466764.db2.gz ZMRRMMLRPQRDLD-UHFFFAOYSA-N 0 0 446.486 2.909 50 0 IFAARN O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000038695712 569466765 /nfs/dbraw/zinc/46/67/65/569466765.db2.gz HEULHYDDIWNFAW-AWEZNQCLSA-N 0 0 433.917 2.872 50 0 IFAARN O=C(c1n[nH]nc1Nc1cccc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000067284658 569466792 /nfs/dbraw/zinc/46/67/92/569466792.db2.gz ABUFIIVSWNHGFU-UHFFFAOYSA-N 0 0 440.891 2.888 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000067287311 569467192 /nfs/dbraw/zinc/46/71/92/569467192.db2.gz LURVSZISXTYPFL-LIRRHRJNSA-N 0 0 449.935 2.786 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CN1C2=C(C(=O)OC2)[C@@H](c2cc(C)ccc2C)NC1=O ZINC000067288653 569467481 /nfs/dbraw/zinc/46/74/81/569467481.db2.gz OJNOQCIBCCORDZ-OAQYLSRUSA-N 0 0 449.463 2.606 50 0 IFAARN Cc1ccc(F)cc1-n1ccn(CC(=O)NCc2cccc(Br)c2)c(=O)c1=O ZINC000067320497 569468610 /nfs/dbraw/zinc/46/86/10/569468610.db2.gz IZNSKLFLTFUGBN-UHFFFAOYSA-N 0 0 446.276 2.526 50 0 IFAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)NCc2ccccc2F)c(=O)c1CCO ZINC000067300785 569468250 /nfs/dbraw/zinc/46/82/50/569468250.db2.gz XXRYSJSEOORIQQ-UHFFFAOYSA-N 0 0 429.879 2.862 50 0 IFAARN Cc1nc(-c2cccc(F)c2)n(CC(=O)NCc2ccccc2Cl)c(=O)c1CCO ZINC000067316652 569468396 /nfs/dbraw/zinc/46/83/96/569468396.db2.gz GSBHGXGICDEBGG-UHFFFAOYSA-N 0 0 429.879 2.862 50 0 IFAARN COc1ccc([C@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(F)c2)cc1 ZINC000067316931 569468426 /nfs/dbraw/zinc/46/84/26/569468426.db2.gz MAISMTIREYOLQO-HNNXBMFYSA-N 0 0 439.487 2.779 50 0 IFAARN COc1cc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(F)c2)cc(OC)c1 ZINC000067316781 569468428 /nfs/dbraw/zinc/46/84/28/569468428.db2.gz YCGGFCMMIVJQMF-UHFFFAOYSA-N 0 0 441.459 2.549 50 0 IFAARN COc1cccc([C@H](C)NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c1 ZINC000067317119 569468491 /nfs/dbraw/zinc/46/84/91/569468491.db2.gz SGUYBOASLWJQEH-AWEZNQCLSA-N 0 0 427.530 2.729 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)cc1 ZINC000067322745 569468752 /nfs/dbraw/zinc/46/87/52/569468752.db2.gz IJDJUVPUJQXMQL-UHFFFAOYSA-N 0 0 425.420 2.712 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(OC)cc3)c2C)cc1 ZINC000067323165 569468760 /nfs/dbraw/zinc/46/87/60/569468760.db2.gz VBBOINSMXROPNE-UHFFFAOYSA-N 0 0 437.456 2.663 50 0 IFAARN COc1cccc(N2CCN(c3ncc(S(=O)(=O)c4ccc(C)cc4)c(N)n3)CC2)c1 ZINC000067336183 569468886 /nfs/dbraw/zinc/46/88/86/569468886.db2.gz KPOWVFSPAMDHFK-UHFFFAOYSA-N 0 0 439.541 2.535 50 0 IFAARN COc1ccccc1N1CCN(c2ncc(S(=O)(=O)c3cccc(C)c3)c(N)n2)CC1 ZINC000067336404 569468900 /nfs/dbraw/zinc/46/89/00/569468900.db2.gz NPKVOSQXLGUHEA-UHFFFAOYSA-N 0 0 439.541 2.535 50 0 IFAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000038855672 569469266 /nfs/dbraw/zinc/46/92/66/569469266.db2.gz NYMZKFFEFDGROB-QRWLVFNGSA-N 0 0 445.541 2.771 50 0 IFAARN Cc1noc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)cc3Cl)c2=O)n1 ZINC000008593665 569469293 /nfs/dbraw/zinc/46/92/93/569469293.db2.gz DVCAYHWRRSCEMS-UHFFFAOYSA-N 0 0 439.859 2.503 50 0 IFAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000008625941 569469491 /nfs/dbraw/zinc/46/94/91/569469491.db2.gz HFEGTNLMXXGMOH-UHFFFAOYSA-N 0 0 433.482 2.502 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 ZINC000008650633 569469662 /nfs/dbraw/zinc/46/96/62/569469662.db2.gz KBNVPMWCNVPXFH-UHFFFAOYSA-N 0 0 441.505 2.954 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN2CCC(n3nnc(-c4cccs4)n3)CC2)cc1 ZINC000008694520 569470075 /nfs/dbraw/zinc/47/00/75/569470075.db2.gz PQUMNVQMLDXULX-UHFFFAOYSA-N 0 0 440.529 2.854 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000008703897 569470176 /nfs/dbraw/zinc/47/01/76/569470176.db2.gz JHUBGWSVSFJHDD-UHFFFAOYSA-N 0 0 425.894 2.614 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008717992 569471268 /nfs/dbraw/zinc/47/12/68/569471268.db2.gz ZWIVRZOCEJWYBV-NRFANRHFSA-N 0 0 446.550 2.892 50 0 IFAARN O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000008719006 569471391 /nfs/dbraw/zinc/47/13/91/569471391.db2.gz FCRBENXZCYFOQO-UHFFFAOYSA-N 0 0 431.464 2.902 50 0 IFAARN O=C(NCc1ccccn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 ZINC000008720552 569471615 /nfs/dbraw/zinc/47/16/15/569471615.db2.gz VEMDRVKUUAXSQQ-UHFFFAOYSA-N 0 0 428.558 2.786 50 0 IFAARN O=C(NCc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 ZINC000008721259 569471701 /nfs/dbraw/zinc/47/17/01/569471701.db2.gz AMDFYHZYFONEBB-UHFFFAOYSA-N 0 0 428.558 2.786 50 0 IFAARN COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O ZINC000008724076 569471938 /nfs/dbraw/zinc/47/19/38/569471938.db2.gz ZCOFSUAQKHIGMY-XMMPIXPASA-N 0 0 435.480 2.558 50 0 IFAARN CCOc1ccc(OCCNC(=O)CN2C(=O)N[C@@](CC)(c3ccc(F)cc3)C2=O)cc1 ZINC000008727984 569472363 /nfs/dbraw/zinc/47/23/63/569472363.db2.gz SGIGDSNNDSIRCW-QHCPKHFHSA-N 0 0 443.475 2.577 50 0 IFAARN C[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000008747234 569473073 /nfs/dbraw/zinc/47/30/73/569473073.db2.gz WDXHAQJTSKDKOY-JTQLQIEISA-N 0 0 442.467 2.616 50 0 IFAARN COC(=O)c1csc(N2N=C(c3ccc(OC)cc3OC)C[C@]2(O)C(F)(F)F)n1 ZINC000008753843 569473763 /nfs/dbraw/zinc/47/37/63/569473763.db2.gz WIYJQIUGIDCJDS-INIZCTEOSA-N 0 0 431.392 2.812 50 0 IFAARN CCCCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N(CC)CC)c2C)cc1 ZINC000008755160 569473924 /nfs/dbraw/zinc/47/39/24/569473924.db2.gz OVCFMHOAUSCIDE-UHFFFAOYSA-N 0 0 443.591 2.946 50 0 IFAARN COc1ccc(CCN2C(=O)C[C@@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)cc1OC ZINC000008765100 569474681 /nfs/dbraw/zinc/47/46/81/569474681.db2.gz KVMMSSAYJSFTIT-OAQYLSRUSA-N 0 0 433.508 2.913 50 0 IFAARN CCOC(=O)Cn1c2sc3c(c2c(=O)n(Cc2ccccc2)c1=O)CC(C)(C)OC3 ZINC000008769876 569475131 /nfs/dbraw/zinc/47/51/31/569475131.db2.gz QQYADFBUESLAEN-UHFFFAOYSA-N 0 0 428.510 2.687 50 0 IFAARN C[C@@]1(CSc2ccccc2C(=O)Nc2ccc3c(c2)OCCCO3)NC(=O)NC1=O ZINC000008778398 569475442 /nfs/dbraw/zinc/47/54/42/569475442.db2.gz VEAOUOMSCGHJAS-NRFANRHFSA-N 0 0 427.482 2.790 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)NCCc1c[nH]c2ccc(OC)cc12 ZINC000008782491 569475836 /nfs/dbraw/zinc/47/58/36/569475836.db2.gz GWFWLMHVNGUSHJ-UHFFFAOYSA-N 0 0 429.498 2.939 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCOC ZINC000008791835 569476280 /nfs/dbraw/zinc/47/62/80/569476280.db2.gz OMMMDYIFLSTSLG-ZWGUXKJGSA-N 0 0 447.601 2.719 50 0 IFAARN O=C(COC(=O)CNS(=O)(=O)c1ccc(F)cc1)Nc1cc(Cl)ccc1Cl ZINC000008824851 569477217 /nfs/dbraw/zinc/47/72/17/569477217.db2.gz NZILROWJFPJPMI-UHFFFAOYSA-N 0 0 435.260 2.593 50 0 IFAARN CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1 ZINC000008840353 569478367 /nfs/dbraw/zinc/47/83/67/569478367.db2.gz AEYCWPGMUBDELK-UHFFFAOYSA-N 0 0 432.926 2.988 50 0 IFAARN COc1ccc(CN2c3ccc(C)cc3[C@@]3(SC(NC(C)=O)=NN3C(C)=O)C2=O)cc1 ZINC000008843699 569478456 /nfs/dbraw/zinc/47/84/56/569478456.db2.gz UZVVHZJQBVHWMY-JOCHJYFZSA-N 0 0 438.509 2.706 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000008849380 569479262 /nfs/dbraw/zinc/47/92/62/569479262.db2.gz JSLRBFPINDOGKY-SFHVURJKSA-N 0 0 427.526 2.598 50 0 IFAARN Cc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c3=O)cc1 ZINC000008849694 569479279 /nfs/dbraw/zinc/47/92/79/569479279.db2.gz MIWGYRILHKZZPH-UHFFFAOYSA-N 0 0 445.401 2.523 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008854800 569479614 /nfs/dbraw/zinc/47/96/14/569479614.db2.gz FFNOISLMCFDMHP-VOMPUTFMSA-N 0 0 438.480 2.643 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N(C)Cc1ccccc1C ZINC000008860728 569479954 /nfs/dbraw/zinc/47/99/54/569479954.db2.gz RSGGPZWQHRLQLV-UHFFFAOYSA-N 0 0 432.571 2.763 50 0 IFAARN COC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000008861915 569480081 /nfs/dbraw/zinc/48/00/81/569480081.db2.gz SJKKIOLRMUKDKG-AWEZNQCLSA-N 0 0 445.497 2.570 50 0 IFAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)n1 ZINC000008868086 569480345 /nfs/dbraw/zinc/48/03/45/569480345.db2.gz RRWDZHOFGQBRLB-UHFFFAOYSA-N 0 0 429.907 2.513 50 0 IFAARN O=C(COC(=O)COc1ccc(C(=O)c2ccccc2)cc1)NC(=O)NCc1ccccc1 ZINC000008876967 569481139 /nfs/dbraw/zinc/48/11/39/569481139.db2.gz ZFVCESXDLQDEEQ-UHFFFAOYSA-N 0 0 446.459 2.866 50 0 IFAARN C[C@H](NC(=O)COC(=O)CNC(=O)c1cccc(Br)c1)c1ccc(F)cc1 ZINC000008880206 569481458 /nfs/dbraw/zinc/48/14/58/569481458.db2.gz YTHYFTDKKPBLBT-LBPRGKRZSA-N 0 0 437.265 2.739 50 0 IFAARN O=C(COc1ccccc1C(=O)NCc1ccccc1)NC[C@H]1COc2ccccc2O1 ZINC000008880567 569481478 /nfs/dbraw/zinc/48/14/78/569481478.db2.gz ODIQKTFSTXSHGI-IBGZPJMESA-N 0 0 432.476 2.952 50 0 IFAARN COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)o2)cc1 ZINC000039404201 569481581 /nfs/dbraw/zinc/48/15/81/569481581.db2.gz XEQRAWZRSQTVIZ-UHFFFAOYSA-N 0 0 441.509 2.885 50 0 IFAARN Cc1cc(C(=O)COC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c(C)c(C)c1C ZINC000039569224 569481786 /nfs/dbraw/zinc/48/17/86/569481786.db2.gz GPDWINRQGGXZNC-INIZCTEOSA-N 0 0 428.510 2.773 50 0 IFAARN COc1ccc(OC)c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 ZINC000039655797 569481842 /nfs/dbraw/zinc/48/18/42/569481842.db2.gz RIEDCMYBZVJIMO-FQEVSTJZSA-N 0 0 440.452 2.506 50 0 IFAARN CC(=O)NCc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1 ZINC000008881852 569482912 /nfs/dbraw/zinc/48/29/12/569482912.db2.gz IKJFBQMWVNDDMP-UHFFFAOYSA-N 0 0 446.887 2.847 50 0 IFAARN Cc1ccc(-c2noc(CN3CCN(C[C@H](O)COCc4ccccc4F)CC3)n2)cc1 ZINC000040039715 569483304 /nfs/dbraw/zinc/48/33/04/569483304.db2.gz RLCCQKPMLHRINE-NRFANRHFSA-N 0 0 440.519 2.879 50 0 IFAARN C[C@H](NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc2ccccc2c1 ZINC000008899073 569484044 /nfs/dbraw/zinc/48/40/44/569484044.db2.gz JGVZKFOEXMQTDJ-KRWDZBQOSA-N 0 0 439.537 2.663 50 0 IFAARN O=C(CN1CCOCC1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1 ZINC000040051036 569484362 /nfs/dbraw/zinc/48/43/62/569484362.db2.gz PGFRMHDRUOKULI-UHFFFAOYSA-N 0 0 433.980 2.545 50 0 IFAARN COc1ccc(-n2ncc(C(=O)Nc3ccc4c(c3)CCN4C(C)=O)c2C(F)(F)F)nn1 ZINC000040051194 569484442 /nfs/dbraw/zinc/48/44/42/569484442.db2.gz SRGLVLSOSSPMCT-UHFFFAOYSA-N 0 0 446.389 2.851 50 0 IFAARN CCCCn1nc(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)c2ccccc2c1=O ZINC000040052618 569484557 /nfs/dbraw/zinc/48/45/57/569484557.db2.gz MMXVQINIKQLWFD-UHFFFAOYSA-N 0 0 444.513 2.829 50 0 IFAARN CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NC[C@@H]2CCCO2)s1 ZINC000008912368 569485026 /nfs/dbraw/zinc/48/50/26/569485026.db2.gz VOGKKYBABIGJLC-NSHDSACASA-N 0 0 436.964 2.624 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(c3nnc(-n4c(C)ccc4C)s3)CC2)C1 ZINC000008912675 569485039 /nfs/dbraw/zinc/48/50/39/569485039.db2.gz RPRRRGLLPOPMHN-SFHVURJKSA-N 0 0 445.589 2.964 50 0 IFAARN COc1ccc(OC)c(CCNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c1 ZINC000008912626 569485072 /nfs/dbraw/zinc/48/50/72/569485072.db2.gz LVJXRCCOCCCZJG-KRWDZBQOSA-N 0 0 441.557 2.921 50 0 IFAARN COc1cc(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000008915753 569485619 /nfs/dbraw/zinc/48/56/19/569485619.db2.gz GKRIDGGZMMWRCF-INIZCTEOSA-N 0 0 437.489 2.681 50 0 IFAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1n[nH]c(C(F)(F)F)n1)C2=O ZINC000040071139 569485671 /nfs/dbraw/zinc/48/56/71/569485671.db2.gz KZZBBMNJWNBVTB-UHFFFAOYSA-N 0 0 430.431 2.679 50 0 IFAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N1CCn2c3ccccc3nc21 ZINC000040086696 569486698 /nfs/dbraw/zinc/48/66/98/569486698.db2.gz GHWPFLKLQGZZMZ-XMMPIXPASA-N 0 0 429.480 2.772 50 0 IFAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N1CCn2c3ccccc3nc21 ZINC000040086695 569486732 /nfs/dbraw/zinc/48/67/32/569486732.db2.gz GHWPFLKLQGZZMZ-DEOSSOPVSA-N 0 0 429.480 2.772 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2Cl)c2c(O)n(-c3ccccc3OC)c(O)c12 ZINC000008921271 569486811 /nfs/dbraw/zinc/48/68/11/569486811.db2.gz AUGSMCADSQQDSH-WMZOPIPTSA-N 0 0 427.844 2.646 50 0 IFAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000040089301 569487072 /nfs/dbraw/zinc/48/70/72/569487072.db2.gz IWJDJQMESSMPDI-CEXWTWQISA-N 0 0 446.569 2.676 50 0 IFAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3)N1CCNC1=O ZINC000008923967 569487110 /nfs/dbraw/zinc/48/71/10/569487110.db2.gz YLOYOXAOQXAHSG-UHFFFAOYSA-N 0 0 444.538 2.622 50 0 IFAARN O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000040104499 569488154 /nfs/dbraw/zinc/48/81/54/569488154.db2.gz RYTGADQRTKMXAL-LPHOPBHVSA-N 0 0 444.557 2.859 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000008938963 569488209 /nfs/dbraw/zinc/48/82/09/569488209.db2.gz QCWYMVVHLLFFAX-BEFAXECRSA-N 0 0 438.933 2.599 50 0 IFAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(OC)c(OC)c1 ZINC000008940397 569488351 /nfs/dbraw/zinc/48/83/51/569488351.db2.gz YHFARONFXZCSNP-UHFFFAOYSA-N 0 0 430.534 2.817 50 0 IFAARN CCCn1nc(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1=O ZINC000040107807 569488456 /nfs/dbraw/zinc/48/84/56/569488456.db2.gz NMZWPFCDTGMGDN-QGZVFWFLSA-N 0 0 436.434 2.766 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@@H]2c2cccs2)C1=O ZINC000008942340 569488687 /nfs/dbraw/zinc/48/86/87/569488687.db2.gz YRQLMNONXCGWBO-VGSWGCGISA-N 0 0 426.542 2.860 50 0 IFAARN O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000040110388 569488718 /nfs/dbraw/zinc/48/87/18/569488718.db2.gz YDDFVWFPXBKOHK-UHFFFAOYSA-N 0 0 447.344 2.998 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1c(C)nc2ccccc21 ZINC000040115034 569489156 /nfs/dbraw/zinc/48/91/56/569489156.db2.gz OIDSOZPXLNTWPD-UHFFFAOYSA-N 0 0 426.542 2.965 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)Oc3ccc(N4CCOC4=O)cc3)c(C)n2n1 ZINC000040119330 569489391 /nfs/dbraw/zinc/48/93/91/569489391.db2.gz YNRXQVJWUVLNTK-UHFFFAOYSA-N 0 0 427.486 2.958 50 0 IFAARN CN(C(=O)CCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000040121232 569489487 /nfs/dbraw/zinc/48/94/87/569489487.db2.gz YYMRCAIGGKOWCG-LJQANCHMSA-N 0 0 425.504 2.776 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000040120651 569489496 /nfs/dbraw/zinc/48/94/96/569489496.db2.gz SZEIGNZKCCBBLY-QGZVFWFLSA-N 0 0 429.540 2.574 50 0 IFAARN O=C(NCc1ccnc(-n2cccn2)c1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040120949 569489525 /nfs/dbraw/zinc/48/95/25/569489525.db2.gz RNGXSEYNFNSCDE-KRWDZBQOSA-N 0 0 443.429 2.951 50 0 IFAARN CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 ZINC000040128718 569489760 /nfs/dbraw/zinc/48/97/60/569489760.db2.gz AERMKNUDAOBFBI-CQSZACIVSA-N 0 0 428.455 2.874 50 0 IFAARN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000040135679 569490791 /nfs/dbraw/zinc/49/07/91/569490791.db2.gz MURZPZTYTNPTLQ-DZGCQCFKSA-N 0 0 435.933 2.867 50 0 IFAARN COc1cc(Br)c(CCNC(=O)[C@@H](C)NC(=O)C2CCCC2)cc1OC ZINC000040144478 569492046 /nfs/dbraw/zinc/49/20/46/569492046.db2.gz ACWLTVPBWHJIEZ-GFCCVEGCSA-N 0 0 427.339 2.820 50 0 IFAARN O=C(CN1CCS(=O)(=O)CC1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000040145133 569492075 /nfs/dbraw/zinc/49/20/75/569492075.db2.gz KHTUIGZFLIWRHH-UHFFFAOYSA-N 0 0 434.370 2.710 50 0 IFAARN C[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)n1ccnc1 ZINC000040145087 569492119 /nfs/dbraw/zinc/49/21/19/569492119.db2.gz HIPLQJCWNPIKSR-CQSZACIVSA-N 0 0 428.470 2.655 50 0 IFAARN C[C@H]1CN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)o3)cc2F)C[C@H](C)O1 ZINC000040145487 569492137 /nfs/dbraw/zinc/49/21/37/569492137.db2.gz NHGZRTHVBQWCPJ-STQMWFEESA-N 0 0 425.482 2.535 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)NCc3ccc(-n4nc(C)cc4C)nc3)c(C)n2n1 ZINC000040145585 569492184 /nfs/dbraw/zinc/49/21/84/569492184.db2.gz WZOQMAVEVQACOY-UHFFFAOYSA-N 0 0 436.545 2.519 50 0 IFAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000040149699 569492650 /nfs/dbraw/zinc/49/26/50/569492650.db2.gz MAFUZSHVZRATHQ-JKSUJKDBSA-N 0 0 444.340 2.871 50 0 IFAARN CCOc1ccc(C(=O)CCC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)cc1 ZINC000040150133 569493118 /nfs/dbraw/zinc/49/31/18/569493118.db2.gz YMNHCJXNPMNYPB-UHFFFAOYSA-N 0 0 432.498 2.932 50 0 IFAARN C[C@@H](C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000040150396 569493166 /nfs/dbraw/zinc/49/31/66/569493166.db2.gz GFAXKPUUWYFLJE-KRWDZBQOSA-N 0 0 446.544 2.728 50 0 IFAARN C[C@@H](C(=O)OCC(=O)N(C)Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000040150465 569493179 /nfs/dbraw/zinc/49/31/79/569493179.db2.gz WLHDXRDTHSIBPD-LBPRGKRZSA-N 0 0 445.871 2.982 50 0 IFAARN COc1ccc([C@H](NC(=O)CN2CCC[C@H](C(=O)Nc3nncs3)C2)C(C)C)cc1 ZINC000040151469 569493273 /nfs/dbraw/zinc/49/32/73/569493273.db2.gz VHXJWKDCFUNQIT-QFBILLFUSA-N 0 0 431.562 2.711 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 ZINC000040154111 569493691 /nfs/dbraw/zinc/49/36/91/569493691.db2.gz ADJYHLQAZZEDTO-IBGZPJMESA-N 0 0 433.530 2.676 50 0 IFAARN CC(C)(C)OC(=O)N1[C@H](CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)COC1(C)C ZINC000040157832 569494358 /nfs/dbraw/zinc/49/43/58/569494358.db2.gz RKVIBYRGJTUSHT-OLZOCXBDSA-N 0 0 447.579 2.511 50 0 IFAARN Cc1ccn2cc(CNC(=O)c3cc(C4CC4)nc4c3c(=O)[nH]c(=O)n4CC(C)C)nc2c1 ZINC000040158085 569494410 /nfs/dbraw/zinc/49/44/10/569494410.db2.gz WAIMUWXSXFREHG-UHFFFAOYSA-N 0 0 446.511 2.504 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)N3CCCCCC3)CC2)cc1 ZINC000008981324 569494441 /nfs/dbraw/zinc/49/44/41/569494441.db2.gz KDZWMXNGDCRKHQ-GOSISDBHSA-N 0 0 436.574 2.730 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3cccs3)CC2)cc1OC ZINC000008988305 569494968 /nfs/dbraw/zinc/49/49/68/569494968.db2.gz STNRRVJQRHBABZ-UHFFFAOYSA-N 0 0 438.571 2.621 50 0 IFAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N[C@@H]1CCS(=O)(=O)C1 ZINC000008991035 569495280 /nfs/dbraw/zinc/49/52/80/569495280.db2.gz LYCGXKXXUSKNOU-CQSZACIVSA-N 0 0 447.896 2.796 50 0 IFAARN Cc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)cc1Cl ZINC000009001587 569495982 /nfs/dbraw/zinc/49/59/82/569495982.db2.gz GWNWZXKYGQFCAW-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2cccs2)cc1 ZINC000009005031 569496029 /nfs/dbraw/zinc/49/60/29/569496029.db2.gz QSGQSXVRWUWEDD-KRWDZBQOSA-N 0 0 438.552 2.645 50 0 IFAARN CCOc1ccc(CC(=O)NCCn2ncc3c2ncn(Cc2ccc(C)cc2)c3=O)cc1 ZINC000009016325 569496764 /nfs/dbraw/zinc/49/67/64/569496764.db2.gz DBWUDSFPJPWOJU-UHFFFAOYSA-N 0 0 445.523 2.707 50 0 IFAARN CCOc1ccc(N2C[C@@H](CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC000009039647 569497449 /nfs/dbraw/zinc/49/74/49/569497449.db2.gz MJIHMFNECGPQND-QGZVFWFLSA-N 0 0 427.501 2.955 50 0 IFAARN COc1ccc(N2C[C@H](CNC(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2=O)cc1 ZINC000009039193 569497456 /nfs/dbraw/zinc/49/74/56/569497456.db2.gz HLZPGPYZCPOQKP-AWEZNQCLSA-N 0 0 429.473 2.896 50 0 IFAARN O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)Nc1ccccc1 ZINC000245187592 569498189 /nfs/dbraw/zinc/49/81/89/569498189.db2.gz ZPRPZTQRPZFVRF-UHFFFAOYSA-N 0 0 442.519 2.692 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)OCc1nnc(-c2ccc(Br)cc2)o1 ZINC000009048699 569498567 /nfs/dbraw/zinc/49/85/67/569498567.db2.gz XCBRRLGMAJXMQJ-UHFFFAOYSA-N 0 0 442.225 2.839 50 0 IFAARN O=C(CNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)Nc1cccc(F)c1 ZINC000009050579 569498613 /nfs/dbraw/zinc/49/86/13/569498613.db2.gz XJBDZSPQTFKDCT-UHFFFAOYSA-N 0 0 447.532 2.665 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cn(C3CC3)c3c(cc(F)c(F)c3OC)c2=O)CC1 ZINC000009051000 569498687 /nfs/dbraw/zinc/49/86/87/569498687.db2.gz HQQISBHMFTWJDQ-UHFFFAOYSA-N 0 0 435.427 2.538 50 0 IFAARN C[C@H](CCc1ccco1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009053616 569498852 /nfs/dbraw/zinc/49/88/52/569498852.db2.gz LYMFNWDSFYKLDC-CABCVRRESA-N 0 0 448.570 2.823 50 0 IFAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000009056856 569499121 /nfs/dbraw/zinc/49/91/21/569499121.db2.gz XPJUAERQGZHUET-UHFFFAOYSA-N 0 0 425.422 2.636 50 0 IFAARN COc1cccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2cc(C)cc(C)c2)c1 ZINC000009060353 569499396 /nfs/dbraw/zinc/49/93/96/569499396.db2.gz NKQRZGKABKWBCT-UHFFFAOYSA-N 0 0 429.480 2.968 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000069291751 569499606 /nfs/dbraw/zinc/49/96/06/569499606.db2.gz DGLDEDDVDFSSPW-QFBILLFUSA-N 0 0 440.009 2.515 50 0 IFAARN O=C(NCc1ccccn1)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]13)O2 ZINC000009061286 569499616 /nfs/dbraw/zinc/49/96/16/569499616.db2.gz PZFATHDPBKJXOJ-BMQTXXJKSA-N 0 0 429.398 2.703 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009063828 569499617 /nfs/dbraw/zinc/49/96/17/569499617.db2.gz LDJARPYPVBQWFD-UHFFFAOYSA-N 0 0 440.905 2.630 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)C1 ZINC000040356079 569499947 /nfs/dbraw/zinc/49/99/47/569499947.db2.gz PNSWUKNRBBJRMJ-ZDUSSCGKSA-N 0 0 447.513 2.828 50 0 IFAARN COC(=O)c1cc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)cc(C(=O)OC)c1 ZINC000009068740 569500000 /nfs/dbraw/zinc/50/00/00/569500000.db2.gz LFEXVQKZGIQYCN-UHFFFAOYSA-N 0 0 431.466 2.996 50 0 IFAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000009103883 569501801 /nfs/dbraw/zinc/50/18/01/569501801.db2.gz CJQLINDQZHBEMD-KBPBESRZSA-N 0 0 429.498 2.839 50 0 IFAARN CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)Nc1ccc(F)cc1Cl ZINC000009112311 569502414 /nfs/dbraw/zinc/50/24/14/569502414.db2.gz DRXZKLSXTIAOHM-NRFANRHFSA-N 0 0 445.834 2.570 50 0 IFAARN O=C(CSc1nncn1-c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009119478 569503496 /nfs/dbraw/zinc/50/34/96/569503496.db2.gz UJTUZXOTOSSCSR-UHFFFAOYSA-N 0 0 443.554 2.783 50 0 IFAARN CN1OC[C@H](S(=O)(=O)N2CCSCC2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000245326151 569503638 /nfs/dbraw/zinc/50/36/38/569503638.db2.gz DJXQFPJWUAXPAG-LEWJYISDSA-N 0 0 434.583 2.931 50 0 IFAARN COc1cccc(-n2c(C)cn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)c1 ZINC000009123816 569504182 /nfs/dbraw/zinc/50/41/82/569504182.db2.gz IDJPNXOQHCINIZ-UHFFFAOYSA-N 0 0 433.443 2.643 50 0 IFAARN COc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)cc1 ZINC000009123771 569504237 /nfs/dbraw/zinc/50/42/37/569504237.db2.gz CMEDDVVCYRIKPQ-UHFFFAOYSA-N 0 0 431.496 2.722 50 0 IFAARN COc1cccc(N2CCn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)c1 ZINC000009124204 569504282 /nfs/dbraw/zinc/50/42/82/569504282.db2.gz BSBZJKRMGYQJQK-JXMROGBWSA-N 0 0 429.480 2.770 50 0 IFAARN Cn1c2nc(CN3CCCCC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000009124540 569504380 /nfs/dbraw/zinc/50/43/80/569504380.db2.gz GZSAMHXFBQXITH-UHFFFAOYSA-N 0 0 436.343 2.775 50 0 IFAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000009126076 569504816 /nfs/dbraw/zinc/50/48/16/569504816.db2.gz ZUTVAUCJHREUNY-KRWDZBQOSA-N 0 0 426.546 2.687 50 0 IFAARN COc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1S(=O)(=O)N1CCOCC1 ZINC000009127223 569505163 /nfs/dbraw/zinc/50/51/63/569505163.db2.gz HGBJJLUWTOTXRK-UHFFFAOYSA-N 0 0 427.482 2.517 50 0 IFAARN CCn1cnc2c1c(=O)n(CC(=O)Nc1ccc(C)c(F)c1)c(=O)n2Cc1ccccc1 ZINC000009129108 569505614 /nfs/dbraw/zinc/50/56/14/569505614.db2.gz RZOLFYJVKKTJRA-UHFFFAOYSA-N 0 0 435.459 2.514 50 0 IFAARN O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000009129838 569505830 /nfs/dbraw/zinc/50/58/30/569505830.db2.gz JOKOTEMKEXPCPB-UHFFFAOYSA-N 0 0 434.521 2.996 50 0 IFAARN CCc1ccc(-n2ccc(=O)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2)cc1 ZINC000009130068 569505925 /nfs/dbraw/zinc/50/59/25/569505925.db2.gz WPVKALCWBZTZDQ-UHFFFAOYSA-N 0 0 429.480 2.845 50 0 IFAARN CSc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)c1 ZINC000040478092 569506662 /nfs/dbraw/zinc/50/66/62/569506662.db2.gz HQLJRHXSSJFWIR-UHFFFAOYSA-N 0 0 442.451 2.675 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)Nc1cc(F)ccc1F ZINC000040478001 569506665 /nfs/dbraw/zinc/50/66/65/569506665.db2.gz VHUVVGYNRRTRQP-UHFFFAOYSA-N 0 0 430.802 2.607 50 0 IFAARN Cc1ccccc1Cn1nnc2c1ncn(CC(=O)Nc1ccc(F)c(Cl)c1)c2=O ZINC000040477207 569506673 /nfs/dbraw/zinc/50/66/73/569506673.db2.gz ZDOSVSUEBLWTFG-UHFFFAOYSA-N 0 0 426.839 2.776 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)cc1Cl ZINC000040477193 569506682 /nfs/dbraw/zinc/50/66/82/569506682.db2.gz GWUQAAHXDIBGIQ-UHFFFAOYSA-N 0 0 438.875 2.645 50 0 IFAARN Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)cc1F ZINC000040477993 569506684 /nfs/dbraw/zinc/50/66/84/569506684.db2.gz IVCABSPAKKSQJI-UHFFFAOYSA-N 0 0 426.839 2.776 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O)Nc1ccc(Cl)cc1F ZINC000040478204 569506723 /nfs/dbraw/zinc/50/67/23/569506723.db2.gz UCHVORWZELFDKS-UHFFFAOYSA-N 0 0 430.802 2.607 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCCc3ccccc32)o1 ZINC000069535730 569506903 /nfs/dbraw/zinc/50/69/03/569506903.db2.gz AAKJHFCIDJEPLO-QZTJIDSGSA-N 0 0 446.525 2.803 50 0 IFAARN O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009134084 569506966 /nfs/dbraw/zinc/50/69/66/569506966.db2.gz ZLSZFBOHRMTNPK-QGZVFWFLSA-N 0 0 427.526 2.853 50 0 IFAARN COc1ccccc1CNC(=O)C(=O)N[C@@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000009134287 569507056 /nfs/dbraw/zinc/50/70/56/569507056.db2.gz YDOJAJLHHSYYSM-JOCHJYFZSA-N 0 0 429.476 2.716 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000009141149 569507267 /nfs/dbraw/zinc/50/72/67/569507267.db2.gz JDKJZIBXOHSNAX-GJZGRUSLSA-N 0 0 435.473 2.663 50 0 IFAARN O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCCO ZINC000009144575 569507323 /nfs/dbraw/zinc/50/73/23/569507323.db2.gz KHODDEGIHKMMCV-UHFFFAOYSA-N 0 0 449.331 2.822 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)[C@@H](C)CC(=O)NCc1ccc(Cl)cc1)OCC(=O)N2 ZINC000009151706 569507551 /nfs/dbraw/zinc/50/75/51/569507551.db2.gz MEDRNBUKRXZVSC-ZDUSSCGKSA-N 0 0 436.917 2.848 50 0 IFAARN COc1ccccc1CNC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000009152701 569507897 /nfs/dbraw/zinc/50/78/97/569507897.db2.gz DQWYUBQXCNVLLY-ZDUSSCGKSA-N 0 0 434.539 2.608 50 0 IFAARN CC(=O)c1ccc(NS(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)cc1 ZINC000009153142 569508018 /nfs/dbraw/zinc/50/80/18/569508018.db2.gz VXRGFYOFDRCGRJ-UHFFFAOYSA-N 0 0 449.488 2.924 50 0 IFAARN C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1c(F)cccc1Cl ZINC000009154449 569508204 /nfs/dbraw/zinc/50/82/04/569508204.db2.gz TXONSEISCRLNRH-QFYYESIMSA-N 0 0 436.288 2.904 50 0 IFAARN COc1cc(Cl)c(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000009155796 569508301 /nfs/dbraw/zinc/50/83/01/569508301.db2.gz PDXYFWAOKZFQFR-UHFFFAOYSA-N 0 0 440.905 2.687 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C ZINC000009156206 569508339 /nfs/dbraw/zinc/50/83/39/569508339.db2.gz KMZJDGOYMQWGMJ-ZDUSSCGKSA-N 0 0 438.553 2.955 50 0 IFAARN C[C@]1(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)CCS(=O)(=O)C1 ZINC000009170235 569509308 /nfs/dbraw/zinc/50/93/08/569509308.db2.gz FHAYTOLNFHEJBH-IBGZPJMESA-N 0 0 438.575 2.829 50 0 IFAARN CC(=O)N[C@@H](CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 ZINC000069620527 569509902 /nfs/dbraw/zinc/50/99/02/569509902.db2.gz LSALAGKASSQRBQ-FQEVSTJZSA-N 0 0 443.931 2.980 50 0 IFAARN CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1cc(Br)ccc1O ZINC000009189641 569510459 /nfs/dbraw/zinc/51/04/59/569510459.db2.gz QANKUGBJQUJPGD-LBPRGKRZSA-N 0 0 441.351 2.820 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)c1 ZINC000009190127 569510526 /nfs/dbraw/zinc/51/05/26/569510526.db2.gz WUKMYDOOPORTFC-WMLDXEAASA-N 0 0 431.562 2.792 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccccc2)cc1C ZINC000009192565 569510794 /nfs/dbraw/zinc/51/07/94/569510794.db2.gz GTVMKWYRHZEYKO-UHFFFAOYSA-N 0 0 439.537 2.906 50 0 IFAARN COc1ccc(-c2noc(CN(C(=O)CN3C(=O)c4ccccc4C3=O)C(C)C)n2)cc1 ZINC000009194111 569510890 /nfs/dbraw/zinc/51/08/90/569510890.db2.gz QOJRORRRHLVUJH-UHFFFAOYSA-N 0 0 434.452 2.778 50 0 IFAARN COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000009194514 569510960 /nfs/dbraw/zinc/51/09/60/569510960.db2.gz YKDRYZPKZQHZJD-UHFFFAOYSA-N 0 0 446.569 2.998 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(F)cc1 ZINC000009198868 569511093 /nfs/dbraw/zinc/51/10/93/569511093.db2.gz FQNDKDGHYPPWOP-FQEVSTJZSA-N 0 0 442.516 2.863 50 0 IFAARN CCOc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000009206697 569511416 /nfs/dbraw/zinc/51/14/16/569511416.db2.gz QIAAEXVJSJPOMG-UHFFFAOYSA-N 0 0 431.514 2.654 50 0 IFAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000009210195 569511632 /nfs/dbraw/zinc/51/16/32/569511632.db2.gz APUXMZSGHJUBPT-CMCWBKRRSA-N 0 0 449.894 2.974 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCC3CCCCC3)CC2=O)cc1 ZINC000009217178 569512244 /nfs/dbraw/zinc/51/22/44/569512244.db2.gz JZNJIIAOEPZUTP-SFHVURJKSA-N 0 0 435.590 2.767 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(=O)c4cc(C)ccc4o3)CC2)cc1 ZINC000009216920 569512289 /nfs/dbraw/zinc/51/22/89/569512289.db2.gz NXGWFFWFSAHWOC-UHFFFAOYSA-N 0 0 440.521 2.947 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009220658 569512565 /nfs/dbraw/zinc/51/25/65/569512565.db2.gz OZHXOSBSORRUAZ-UHFFFAOYSA-N 0 0 431.514 2.698 50 0 IFAARN CCc1ccccc1N1C[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000009222669 569512783 /nfs/dbraw/zinc/51/27/83/569512783.db2.gz FPLXZQINUWOZHA-LEWJYISDSA-N 0 0 440.565 2.818 50 0 IFAARN CN(c1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1)S(C)(=O)=O ZINC000009222730 569512806 /nfs/dbraw/zinc/51/28/06/569512806.db2.gz JEFDPXFOLIUOBG-UHFFFAOYSA-N 0 0 447.494 2.836 50 0 IFAARN CCn1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(=O)c2ccc(C)nc21 ZINC000009223307 569512913 /nfs/dbraw/zinc/51/29/13/569512913.db2.gz NTCCINPLMDTMRH-UHFFFAOYSA-N 0 0 442.522 2.990 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000009223604 569513025 /nfs/dbraw/zinc/51/30/25/569513025.db2.gz XZVUDGIVDAHDPB-OAHLLOKOSA-N 0 0 431.489 2.602 50 0 IFAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)NC1CCCCCC1 ZINC000009226100 569513269 /nfs/dbraw/zinc/51/32/69/569513269.db2.gz GSPABCYRVHZDHS-UHFFFAOYSA-N 0 0 443.525 2.888 50 0 IFAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)NC1CCC(C)CC1 ZINC000009226293 569513270 /nfs/dbraw/zinc/51/32/70/569513270.db2.gz MHRGUMGJDCKQJP-UHFFFAOYSA-N 0 0 443.525 2.743 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)N1CCCCC1 ZINC000009226367 569513313 /nfs/dbraw/zinc/51/33/13/569513313.db2.gz FTGSNPWECVWPCU-UHFFFAOYSA-N 0 0 432.498 2.529 50 0 IFAARN COc1ccc(C)cc1NC(=O)c1nnn(CC(=O)Nc2cccc(SC)c2)c1N ZINC000009227008 569513359 /nfs/dbraw/zinc/51/33/59/569513359.db2.gz MVYYCTCGTYWPRF-UHFFFAOYSA-N 0 0 426.502 2.790 50 0 IFAARN O=C([C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1)N1CCOCC1 ZINC000009238526 569514336 /nfs/dbraw/zinc/51/43/36/569514336.db2.gz ACZXBTYKWZKKES-ZWKOTPCHSA-N 0 0 425.489 2.702 50 0 IFAARN CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1 ZINC000009243446 569514969 /nfs/dbraw/zinc/51/49/69/569514969.db2.gz QISVJFCSSMHMAE-UHFFFAOYSA-N 0 0 431.496 2.804 50 0 IFAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1-c1nccs1 ZINC000009244861 569515171 /nfs/dbraw/zinc/51/51/71/569515171.db2.gz ZKSOCFMWTGRLQT-QFIPXVFZSA-N 0 0 436.493 2.963 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1 ZINC000009245189 569515299 /nfs/dbraw/zinc/51/52/99/569515299.db2.gz TYKSYNZBLZLQPX-UHFFFAOYSA-N 0 0 448.504 2.860 50 0 IFAARN COc1cccc([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1O ZINC000009253021 569516170 /nfs/dbraw/zinc/51/61/70/569516170.db2.gz NNUFKMDFFDQSQE-JOCHJYFZSA-N 0 0 433.464 2.540 50 0 IFAARN CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1cccc(Cl)c1 ZINC000009253284 569516210 /nfs/dbraw/zinc/51/62/10/569516210.db2.gz PYULQVLFRZQPJD-MRXNPFEDSA-N 0 0 437.974 2.817 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cnc3ccccc3n2)c(=O)[nH]c1=O ZINC000009253818 569516266 /nfs/dbraw/zinc/51/62/66/569516266.db2.gz FPQSXIDEGWBUFY-UHFFFAOYSA-N 0 0 444.495 2.709 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N[C@@H]1CCSc2ccccc21 ZINC000009254381 569516376 /nfs/dbraw/zinc/51/63/76/569516376.db2.gz BQEUFCNXFHMAAN-MRXNPFEDSA-N 0 0 438.596 2.665 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCC[C@H]1c1cccs1 ZINC000009254756 569516437 /nfs/dbraw/zinc/51/64/37/569516437.db2.gz LCMSBGHDAGUQBI-HNNXBMFYSA-N 0 0 426.585 2.737 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2C)cc1 ZINC000009262006 569516972 /nfs/dbraw/zinc/51/69/72/569516972.db2.gz NQJWTYKLPNNYBA-UHFFFAOYSA-N 0 0 429.477 2.875 50 0 IFAARN C[C@@H](Sc1nnc(CNC(=O)c2ccc(Cl)cc2)n1C)C(=O)Nc1nccs1 ZINC000009263446 569517161 /nfs/dbraw/zinc/51/71/61/569517161.db2.gz SLQHSWIFXORBMY-SNVBAGLBSA-N 0 0 436.950 2.974 50 0 IFAARN Cc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)c(C)c3)n2C)s1 ZINC000009263986 569517262 /nfs/dbraw/zinc/51/72/62/569517262.db2.gz BCXNDODGVMJKBA-UHFFFAOYSA-N 0 0 431.547 2.504 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3cccc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000009269335 569517607 /nfs/dbraw/zinc/51/76/07/569517607.db2.gz ZQNQIVRAZWBSTR-UXHICEINSA-N 0 0 427.526 2.604 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)ccc2N1C(=O)C1CC1 ZINC000009273746 569518069 /nfs/dbraw/zinc/51/80/69/569518069.db2.gz NROOSUFMWOHYNW-HNNXBMFYSA-N 0 0 444.528 2.994 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)ccc2N1C(=O)C1CC1 ZINC000009273741 569518082 /nfs/dbraw/zinc/51/80/82/569518082.db2.gz NROOSUFMWOHYNW-OAHLLOKOSA-N 0 0 444.528 2.994 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)CCC(=O)NCCc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000009273711 569518113 /nfs/dbraw/zinc/51/81/13/569518113.db2.gz IWPWZNNUWOTQIL-QGZVFWFLSA-N 0 0 440.565 2.897 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)CCC(=O)NCc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000009273825 569518181 /nfs/dbraw/zinc/51/81/81/569518181.db2.gz IXAYKQYGLFPETC-MRXNPFEDSA-N 0 0 426.538 2.854 50 0 IFAARN O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000009278156 569518528 /nfs/dbraw/zinc/51/85/28/569518528.db2.gz YPZDYJSZKNRAHX-UHFFFAOYSA-N 0 0 430.346 2.515 50 0 IFAARN COCCn1c2ccccc2nc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009285055 569519171 /nfs/dbraw/zinc/51/91/71/569519171.db2.gz ODCDPNNBGAPFBD-UHFFFAOYSA-N 0 0 442.497 2.894 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc3[nH]c4ccccc4n31)CCCC2 ZINC000009285754 569519203 /nfs/dbraw/zinc/51/92/03/569519203.db2.gz YYEOOFHIGCWSRH-UHFFFAOYSA-N 0 0 426.527 2.981 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)N[C@H](C)CCc4ccccc4)ncn3n2)cc1 ZINC000009287257 569519275 /nfs/dbraw/zinc/51/92/75/569519275.db2.gz ORJBGPOXWIQGHT-QGZVFWFLSA-N 0 0 431.496 2.704 50 0 IFAARN CSc1ccc(CCNC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1 ZINC000009287958 569519329 /nfs/dbraw/zinc/51/93/29/569519329.db2.gz QGUKBJZZDDKSBZ-INIZCTEOSA-N 0 0 431.587 2.715 50 0 IFAARN NC(=O)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000009289557 569519577 /nfs/dbraw/zinc/51/95/77/569519577.db2.gz OBQWTTXBVRNCDO-RUZDIDTESA-N 0 0 438.487 2.982 50 0 IFAARN Cc1nnc(NC(=O)[C@H](C)Sc2nnc(CC(=O)Nc3ccc(C)cc3C)n2C)s1 ZINC000009290086 569519677 /nfs/dbraw/zinc/51/96/77/569519677.db2.gz BJENNADOOYFKCS-LBPRGKRZSA-N 0 0 445.574 2.892 50 0 IFAARN CC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(Oc3ccccc3)cc2)n(C)c1=O ZINC000009297058 569520520 /nfs/dbraw/zinc/52/05/20/569520520.db2.gz HBRJZLGCBPKJAE-UHFFFAOYSA-N 0 0 443.463 2.828 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1cc(Cl)ccc1C ZINC000009300997 569520697 /nfs/dbraw/zinc/52/06/97/569520697.db2.gz PHGHYJGGXRGDNG-UHFFFAOYSA-N 0 0 427.910 2.687 50 0 IFAARN Cc1nc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2C)sc1C ZINC000009302413 569520823 /nfs/dbraw/zinc/52/08/23/569520823.db2.gz NAPRHWPIFIDAEX-UHFFFAOYSA-N 0 0 434.522 2.940 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2nc(C)c(C)s2)n1C ZINC000009302434 569520831 /nfs/dbraw/zinc/52/08/31/569520831.db2.gz IOZHQTNMEMVINW-UHFFFAOYSA-N 0 0 446.558 2.809 50 0 IFAARN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)c1ccccc1 ZINC000009303571 569520994 /nfs/dbraw/zinc/52/09/94/569520994.db2.gz HRIUFRFTCFQMRZ-ZBFHGGJFSA-N 0 0 430.555 2.969 50 0 IFAARN O=C(Nc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009303713 569521042 /nfs/dbraw/zinc/52/10/42/569521042.db2.gz LVJOAHQOOXCRIT-MRXNPFEDSA-N 0 0 445.516 2.992 50 0 IFAARN COc1cc(C)ccc1OCc1nnc(S[C@@H](C)C(=O)Nc2nnc(C)s2)n1C ZINC000009304107 569521097 /nfs/dbraw/zinc/52/10/97/569521097.db2.gz MEHGTQBVAGJUIK-NSHDSACASA-N 0 0 434.547 2.990 50 0 IFAARN COc1cccc(N2C(SCC(=O)OCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009306270 569521347 /nfs/dbraw/zinc/52/13/47/569521347.db2.gz AETJOYCYSYABOQ-RTBURBONSA-N 0 0 446.550 2.513 50 0 IFAARN C[C@@H]1CCc2sc3c(c2C1)-c1ncnn1-c1nnc(SCC(=O)N2CCCC2)n1-3 ZINC000009307352 569521407 /nfs/dbraw/zinc/52/14/07/569521407.db2.gz YLUCLMIIVNAATE-LLVKDONJSA-N 0 0 427.559 2.729 50 0 IFAARN COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000009314516 569522000 /nfs/dbraw/zinc/52/20/00/569522000.db2.gz SQQKIWCETYTWMD-LJQANCHMSA-N 0 0 426.469 2.800 50 0 IFAARN C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009313990 569522019 /nfs/dbraw/zinc/52/20/19/569522019.db2.gz HLRSUOOYGGUJEN-QFBILLFUSA-N 0 0 430.526 2.878 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1C ZINC000009315401 569522127 /nfs/dbraw/zinc/52/21/27/569522127.db2.gz ASUOZCPJCZVLSU-UHFFFAOYSA-N 0 0 440.481 2.929 50 0 IFAARN CCCCn1nc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O ZINC000009316189 569522246 /nfs/dbraw/zinc/52/22/46/569522246.db2.gz KBRNKVXJVWMYGL-UHFFFAOYSA-N 0 0 428.514 2.699 50 0 IFAARN Cc1c(-n2c(S[C@H]3CCOC3=O)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000009317123 569522345 /nfs/dbraw/zinc/52/23/45/569522345.db2.gz GBZLQBMURPGDPN-SFHVURJKSA-N 0 0 448.504 2.591 50 0 IFAARN COc1cc(OC)cc(C(=O)NCC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)c1 ZINC000009319322 569522463 /nfs/dbraw/zinc/52/24/63/569522463.db2.gz TUWLCHIMEGIGSV-LJQANCHMSA-N 0 0 442.541 2.921 50 0 IFAARN O=c1[nH]c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000009319026 569522492 /nfs/dbraw/zinc/52/24/92/569522492.db2.gz IOMGYLGNCSOTCA-SFHVURJKSA-N 0 0 442.397 2.967 50 0 IFAARN Cc1ccc(-n2cnnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1Cl ZINC000009335903 569523373 /nfs/dbraw/zinc/52/33/73/569523373.db2.gz XQPGMPHSGYSGTK-UHFFFAOYSA-N 0 0 448.936 2.607 50 0 IFAARN Nc1nc(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)nc(Nc2ccc(F)cc2)n1 ZINC000009336593 569523449 /nfs/dbraw/zinc/52/34/49/569523449.db2.gz YYTQAFHKBLGKMF-HXUWFJFHSA-N 0 0 439.476 2.682 50 0 IFAARN COc1ccc(CC[C@]2(C)NC(=O)N(Cc3nc(N)nc(Nc4ccccc4)n3)C2=O)cc1 ZINC000009338580 569523674 /nfs/dbraw/zinc/52/36/74/569523674.db2.gz VMUICJBNEWVZJD-QHCPKHFHSA-N 0 0 447.499 2.649 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2c1 ZINC000009341256 569523883 /nfs/dbraw/zinc/52/38/83/569523883.db2.gz FCWSJWNUMDENRG-SFHVURJKSA-N 0 0 441.553 2.936 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2c1 ZINC000009341253 569523890 /nfs/dbraw/zinc/52/38/90/569523890.db2.gz FCWSJWNUMDENRG-GOSISDBHSA-N 0 0 441.553 2.936 50 0 IFAARN CSCC[C@H](NC(=O)CCCn1nnc(-c2ccccc2)n1)c1nnc2ccccn21 ZINC000069923658 569523966 /nfs/dbraw/zinc/52/39/66/569523966.db2.gz MAZBWUABADYAHU-KRWDZBQOSA-N 0 0 436.545 2.774 50 0 IFAARN CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CSc1nnnn1-c1cccc(Cl)c1 ZINC000009348702 569524562 /nfs/dbraw/zinc/52/45/62/569524562.db2.gz IEGSEZVRBNQIMI-UHFFFAOYSA-N 0 0 440.916 2.908 50 0 IFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(OC)cc3)C2)c1 ZINC000009349061 569524635 /nfs/dbraw/zinc/52/46/35/569524635.db2.gz QATWIFHFWRGYNA-IBGZPJMESA-N 0 0 437.543 2.568 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)N1CCCCCC1 ZINC000009356169 569525439 /nfs/dbraw/zinc/52/54/39/569525439.db2.gz SNPWFFDXKVUGAR-UHFFFAOYSA-N 0 0 446.525 2.919 50 0 IFAARN Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000009365236 569526093 /nfs/dbraw/zinc/52/60/93/569526093.db2.gz QHTWILIHFHUDJE-UHFFFAOYSA-N 0 0 428.448 2.991 50 0 IFAARN CSc1nnc(CCCNC(=O)c2nn(C)c(=O)c3ccccc32)n1C1CCCC1 ZINC000009366243 569526201 /nfs/dbraw/zinc/52/62/01/569526201.db2.gz DPXPMVNGMMZGDA-UHFFFAOYSA-N 0 0 426.546 2.725 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3nccs3)s2)cc1OC ZINC000009366149 569526222 /nfs/dbraw/zinc/52/62/22/569526222.db2.gz INGVJXNQIYZTEL-UHFFFAOYSA-N 0 0 437.528 2.995 50 0 IFAARN COc1cc(OC)cc(C(=O)Nc2nnc(SCC(=O)Nc3nccs3)s2)c1 ZINC000009366158 569526229 /nfs/dbraw/zinc/52/62/29/569526229.db2.gz QUWRLCNQPLKFTB-UHFFFAOYSA-N 0 0 437.528 2.995 50 0 IFAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000009366522 569526284 /nfs/dbraw/zinc/52/62/84/569526284.db2.gz ITWYBDSJDKZHBJ-UHFFFAOYSA-N 0 0 428.514 2.503 50 0 IFAARN NC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009373136 569526990 /nfs/dbraw/zinc/52/69/90/569526990.db2.gz UGXDVYWHZWBCLV-KGASDJBWSA-N 0 0 446.931 2.643 50 0 IFAARN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)c2c[nH]c3ccccc32)cc1 ZINC000009379008 569527731 /nfs/dbraw/zinc/52/77/31/569527731.db2.gz QZBJZKPNZBTNRE-XLIONFOSSA-N 0 0 425.554 2.917 50 0 IFAARN CC(=O)NC1(c2noc(CCC(=O)NC[C@H]3COc4ccccc4O3)n2)CCCCCC1 ZINC000070009374 569528023 /nfs/dbraw/zinc/52/80/23/569528023.db2.gz FKFLONNALOUHKA-KRWDZBQOSA-N 0 0 442.516 2.644 50 0 IFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(F)cc3)C2)c1 ZINC000009380985 569528070 /nfs/dbraw/zinc/52/80/70/569528070.db2.gz IZNYVMOETMQFSR-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)s1 ZINC000009381025 569528077 /nfs/dbraw/zinc/52/80/77/569528077.db2.gz ZPPNZRRMTNNWPX-UHFFFAOYSA-N 0 0 442.573 2.755 50 0 IFAARN O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000070019435 569528829 /nfs/dbraw/zinc/52/88/29/569528829.db2.gz SJQLWYLXOVGEGZ-UHFFFAOYSA-N 0 0 446.550 2.868 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)CSc2nnc(Cc3cccs3)n2C)c1C ZINC000009393179 569529096 /nfs/dbraw/zinc/52/90/96/569529096.db2.gz WCOXSRIJQWQTFB-UHFFFAOYSA-N 0 0 429.571 2.931 50 0 IFAARN C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl)CS2 ZINC000009396678 569529186 /nfs/dbraw/zinc/52/91/86/569529186.db2.gz NNEYIJLAWHTXKL-KDOFPFPSSA-N 0 0 431.341 2.649 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000009396849 569529209 /nfs/dbraw/zinc/52/92/09/569529209.db2.gz PUIHODNHEBXUIL-HNNXBMFYSA-N 0 0 429.542 2.806 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(F)cc3C)cc2C[C@H]1C ZINC000009396927 569529252 /nfs/dbraw/zinc/52/92/52/569529252.db2.gz KGZFCKBOWVMPSJ-CQSZACIVSA-N 0 0 433.505 2.691 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCC4)C3)cc2C[C@@H]1C ZINC000009397192 569529307 /nfs/dbraw/zinc/52/93/07/569529307.db2.gz PGYWGLPZWJOHHM-WMZOPIPTSA-N 0 0 447.601 2.834 50 0 IFAARN CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1I ZINC000009402932 569529447 /nfs/dbraw/zinc/52/94/47/569529447.db2.gz TWERYBUSSGPRFX-AWEZNQCLSA-N 0 0 429.327 2.952 50 0 IFAARN C/C(=C\C(=O)OCC(=O)NC1CCCCCC1)C(=O)OCC(=O)NC1CCCCCC1 ZINC000009403388 569529504 /nfs/dbraw/zinc/52/95/04/569529504.db2.gz LUPLEIPMUXWKLS-SAPNQHFASA-N 0 0 436.549 2.697 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccccc3)s2)cc1OC ZINC000009405068 569529766 /nfs/dbraw/zinc/52/97/66/569529766.db2.gz SJRFIUGRVQCLGB-UHFFFAOYSA-N 0 0 448.526 2.628 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2ccc(Cl)cc2)c1=O)CCN3c1ccc(F)cc1 ZINC000009406702 569530153 /nfs/dbraw/zinc/53/01/53/569530153.db2.gz QRZHUJQEZONTRV-UHFFFAOYSA-N 0 0 425.851 2.889 50 0 IFAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NC[C@H]2CCCO2)c1C ZINC000009408587 569530638 /nfs/dbraw/zinc/53/06/38/569530638.db2.gz PCGPSGGCPLHKIH-QGZVFWFLSA-N 0 0 438.528 2.728 50 0 IFAARN COc1ccc([C@@H]2c3c(=O)[nH][nH]c3C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1OC ZINC000009408882 569530704 /nfs/dbraw/zinc/53/07/04/569530704.db2.gz QDGMPZMXICCCNO-ZYKOEDHHSA-N 0 0 438.480 2.931 50 0 IFAARN NC(=O)COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)cc1 ZINC000009409533 569531083 /nfs/dbraw/zinc/53/10/83/569531083.db2.gz YELHAMZDHHNJDO-AUSIDOKSSA-N 0 0 447.472 2.693 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCS[C@@H]1c1ccccc1F ZINC000009413864 569531875 /nfs/dbraw/zinc/53/18/75/569531875.db2.gz MLNWPNFLGJPVSV-KNQAVFIVSA-N 0 0 441.484 2.630 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N1CCS[C@@H]1c1ccccc1F ZINC000009413876 569531905 /nfs/dbraw/zinc/53/19/05/569531905.db2.gz MLNWPNFLGJPVSV-DENIHFKCSA-N 0 0 441.484 2.630 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC)c(OC)c2)C[S@@](=O)C3)cc1 ZINC000009413954 569531906 /nfs/dbraw/zinc/53/19/06/569531906.db2.gz CVDIZUPDKJIZLR-PMERELPUSA-N 0 0 427.482 2.913 50 0 IFAARN Cc1sc2nc(C)nc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)c2c1C ZINC000009415407 569532232 /nfs/dbraw/zinc/53/22/32/569532232.db2.gz KVQYBEAMBROESE-UHFFFAOYSA-N 0 0 433.559 2.995 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 ZINC000009416445 569532320 /nfs/dbraw/zinc/53/23/20/569532320.db2.gz AESUAMLBAUIELX-UHFFFAOYSA-N 0 0 437.843 2.661 50 0 IFAARN O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009418367 569532443 /nfs/dbraw/zinc/53/24/43/569532443.db2.gz ZPZUJCWJNOJLCP-KRWDZBQOSA-N 0 0 433.574 2.663 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1 ZINC000009418436 569532459 /nfs/dbraw/zinc/53/24/59/569532459.db2.gz RPUDAMLERHQJSW-APWZRJJASA-N 0 0 429.542 2.923 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NCc1ccco1 ZINC000009419583 569532524 /nfs/dbraw/zinc/53/25/24/569532524.db2.gz LBCMJLGUDIEIMU-SFHVURJKSA-N 0 0 428.876 2.974 50 0 IFAARN CCCCn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)CCC1CCCCC1)(C(F)(F)F)C(=O)N2 ZINC000009420116 569532581 /nfs/dbraw/zinc/53/25/81/569532581.db2.gz FMYMXFGSTIZROW-LJQANCHMSA-N 0 0 444.454 2.523 50 0 IFAARN COc1ccc(NC(=O)CCNC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000009420999 569532699 /nfs/dbraw/zinc/53/26/99/569532699.db2.gz MUAXJSLANSXTAW-UHFFFAOYSA-N 0 0 449.511 2.673 50 0 IFAARN CN(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000009420741 569532737 /nfs/dbraw/zinc/53/27/37/569532737.db2.gz MBAYIVOBDPUSEO-CQSZACIVSA-N 0 0 445.570 2.797 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000009421461 569532781 /nfs/dbraw/zinc/53/27/81/569532781.db2.gz NHKBGPUDIDHPSP-HXUWFJFHSA-N 0 0 440.525 2.561 50 0 IFAARN CC(C)OCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl ZINC000009425126 569533123 /nfs/dbraw/zinc/53/31/23/569533123.db2.gz BHDNFSYETVDVMH-UHFFFAOYSA-N 0 0 437.903 2.502 50 0 IFAARN COc1cc(NC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3C)cc(OC)c1 ZINC000009431281 569534159 /nfs/dbraw/zinc/53/41/59/569534159.db2.gz BWOOOHJFYCJMEK-UHFFFAOYSA-N 0 0 427.486 2.621 50 0 IFAARN Cc1cc(C)cc(OCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000009438654 569534979 /nfs/dbraw/zinc/53/49/79/569534979.db2.gz BBPMAWLOMTYSBF-UHFFFAOYSA-N 0 0 446.525 2.649 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2ccccc2o1 ZINC000009439003 569535016 /nfs/dbraw/zinc/53/50/16/569535016.db2.gz PZDHOQPSUZCOLM-UHFFFAOYSA-N 0 0 447.538 2.888 50 0 IFAARN Cc1ccsc1CCNC(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000009440450 569535187 /nfs/dbraw/zinc/53/51/87/569535187.db2.gz AGNSGQYMXHMWBU-UHFFFAOYSA-N 0 0 442.946 2.564 50 0 IFAARN O=C(CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)NCCCc1ccccc1 ZINC000009440274 569535208 /nfs/dbraw/zinc/53/52/08/569535208.db2.gz MAHZSHBPIHTLLM-UHFFFAOYSA-N 0 0 436.917 2.584 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnnn2-c2ccc(O)cc2)c1 ZINC000009454357 569536652 /nfs/dbraw/zinc/53/66/52/569536652.db2.gz MXDONICLNSUVKV-SFHVURJKSA-N 0 0 441.513 2.841 50 0 IFAARN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000009460292 569536953 /nfs/dbraw/zinc/53/69/53/569536953.db2.gz YTHKGKVPRYVBRQ-PBHICJAKSA-N 0 0 449.960 2.717 50 0 IFAARN O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009464219 569537577 /nfs/dbraw/zinc/53/75/77/569537577.db2.gz VSYIAAYVRLVSRH-UHFFFAOYSA-N 0 0 429.498 2.517 50 0 IFAARN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@]2(CCCc3sccc32)C1=O ZINC000009464710 569537761 /nfs/dbraw/zinc/53/77/61/569537761.db2.gz LUVWFUYTJOUCGW-GTJPDFRWSA-N 0 0 427.482 2.630 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-n3cncn3)cc2)cc1 ZINC000009465060 569537866 /nfs/dbraw/zinc/53/78/66/569537866.db2.gz GDEFMGPVJBGQLO-MRXNPFEDSA-N 0 0 427.530 2.789 50 0 IFAARN CCn1nnc2cc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)ccc21 ZINC000009464984 569537878 /nfs/dbraw/zinc/53/78/78/569537878.db2.gz ILGQARRUNDHDAK-UHFFFAOYSA-N 0 0 425.470 2.775 50 0 IFAARN COc1ccccc1-n1c(SCC(=O)NC(=O)NC(C)C)nc2ccccc2c1=O ZINC000009465457 569537951 /nfs/dbraw/zinc/53/79/51/569537951.db2.gz MRGQTOSCSJZHFL-UHFFFAOYSA-N 0 0 426.498 2.721 50 0 IFAARN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000009465592 569537996 /nfs/dbraw/zinc/53/79/96/569537996.db2.gz LSENVHKZQXJWCQ-JBEBIEQOSA-N 0 0 435.480 2.741 50 0 IFAARN COCCNC(=S)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000009465798 569538038 /nfs/dbraw/zinc/53/80/38/569538038.db2.gz XSARFXHBAJYJGB-UHFFFAOYSA-N 0 0 439.541 2.670 50 0 IFAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)NC(=O)NCc1ccccc1 ZINC000009466281 569538116 /nfs/dbraw/zinc/53/81/16/569538116.db2.gz NWHNULUZVJVADS-UHFFFAOYSA-N 0 0 428.539 2.982 50 0 IFAARN Cc1cc(C)n(CCCNC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)n1 ZINC000009466522 569538214 /nfs/dbraw/zinc/53/82/14/569538214.db2.gz JEPAGBJNZPDSAQ-UHFFFAOYSA-N 0 0 426.546 2.784 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)OCO2 ZINC000009467176 569538341 /nfs/dbraw/zinc/53/83/41/569538341.db2.gz RRRQYCPYGICZNH-QGZVFWFLSA-N 0 0 434.445 2.549 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC000009469163 569538764 /nfs/dbraw/zinc/53/87/64/569538764.db2.gz MDTAGOKDKFRBCR-UHFFFAOYSA-N 0 0 444.557 2.942 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000009478070 569539336 /nfs/dbraw/zinc/53/93/36/569539336.db2.gz ZPQOQQRSBSZWED-SFHVURJKSA-N 0 0 427.526 2.598 50 0 IFAARN Cc1ccc2nc3c(cc(C(=O)NCC(=O)OC(C)C)n3Cc3ccccc3)c(=O)n2c1 ZINC000009487529 569539763 /nfs/dbraw/zinc/53/97/63/569539763.db2.gz YGKWWWIZVFKTAG-UHFFFAOYSA-N 0 0 432.480 2.687 50 0 IFAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000009495186 569541008 /nfs/dbraw/zinc/54/10/08/569541008.db2.gz NHKKPDNSCAAPKX-XDHUDOTRSA-N 0 0 437.496 2.696 50 0 IFAARN CN(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)C1=NS(=O)(=O)c2ccccc21 ZINC000009495876 569541149 /nfs/dbraw/zinc/54/11/49/569541149.db2.gz ZONQPBIPARUQOB-UHFFFAOYSA-N 0 0 427.482 2.748 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000009497901 569541345 /nfs/dbraw/zinc/54/13/45/569541345.db2.gz ABLHDOFKYOYOFY-VOIUYBSRSA-N 0 0 434.496 2.694 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000009498878 569541433 /nfs/dbraw/zinc/54/14/33/569541433.db2.gz HEHRCGCBLXTBHE-CQSZACIVSA-N 0 0 435.509 2.840 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3ccc(OC)cc3)c2c1 ZINC000009500323 569541492 /nfs/dbraw/zinc/54/14/92/569541492.db2.gz GOUWKGNSWCDRHS-UHFFFAOYSA-N 0 0 429.498 2.820 50 0 IFAARN Cc1ccn2c(=O)cc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)nc2c1 ZINC000009501842 569541669 /nfs/dbraw/zinc/54/16/69/569541669.db2.gz UFXJUPOASYSQPX-UHFFFAOYSA-N 0 0 448.552 2.772 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc2[nH]c3ccccc3n21 ZINC000009507992 569542204 /nfs/dbraw/zinc/54/22/04/569542204.db2.gz WYWBSVGRWFYAIV-UHFFFAOYSA-N 0 0 444.542 2.500 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)[C@H]1COc3ccccc3O1)CCC2 ZINC000009508626 569542366 /nfs/dbraw/zinc/54/23/66/569542366.db2.gz ZRFQEAXTVLJIEB-OAHLLOKOSA-N 0 0 431.466 2.735 50 0 IFAARN CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000009508845 569542406 /nfs/dbraw/zinc/54/24/06/569542406.db2.gz BUTFBGFYPTXZQF-UHFFFAOYSA-N 0 0 427.935 2.507 50 0 IFAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000009509378 569542508 /nfs/dbraw/zinc/54/25/08/569542508.db2.gz MTQGNBNKZFDVPX-UHFFFAOYSA-N 0 0 432.498 2.521 50 0 IFAARN CC(C)CCN(C(=O)c1ccc(N(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009509336 569542525 /nfs/dbraw/zinc/54/25/25/569542525.db2.gz GIBRACGNWRLNJW-UHFFFAOYSA-N 0 0 449.555 2.926 50 0 IFAARN Cc1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1 ZINC000009510043 569542672 /nfs/dbraw/zinc/54/26/72/569542672.db2.gz AJQNHUDHJIZGNN-UHFFFAOYSA-N 0 0 432.498 2.916 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccccc1Br ZINC000009512447 569542979 /nfs/dbraw/zinc/54/29/79/569542979.db2.gz YBHKZHLXLYLOKY-CQSZACIVSA-N 0 0 440.363 2.894 50 0 IFAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009515125 569543327 /nfs/dbraw/zinc/54/33/27/569543327.db2.gz IDGHJCLTNAKZMI-UHFFFAOYSA-N 0 0 442.493 2.802 50 0 IFAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3)n2)C1=O ZINC000009516378 569543428 /nfs/dbraw/zinc/54/34/28/569543428.db2.gz ASPIBPJAXXYSRT-HSZRJFAPSA-N 0 0 429.484 2.653 50 0 IFAARN COc1ccccc1-c1nc(SCC(=O)c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000009517558 569543625 /nfs/dbraw/zinc/54/36/25/569543625.db2.gz CXMDJFFOGMDCJZ-UHFFFAOYSA-N 0 0 448.504 2.678 50 0 IFAARN Cn1c(=O)c2c(SCC(=O)Nc3cccc(F)c3)nc(C3CCCC3)nc2n(C)c1=O ZINC000009517441 569543626 /nfs/dbraw/zinc/54/36/26/569543626.db2.gz FFYNSKACVCIXKY-UHFFFAOYSA-N 0 0 443.504 2.555 50 0 IFAARN Cc1ccc(-n2nnc3c2ncn(CC(=O)NCc2ccccc2Cl)c3=O)cc1Cl ZINC000009517839 569543798 /nfs/dbraw/zinc/54/37/98/569543798.db2.gz WCKFZYPVUNLFCY-UHFFFAOYSA-N 0 0 443.294 2.909 50 0 IFAARN Nc1nc(SCC(=O)OCc2ccccc2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518073 569543904 /nfs/dbraw/zinc/54/39/04/569543904.db2.gz QROGQTDJIJQHHP-UHFFFAOYSA-N 0 0 428.445 2.579 50 0 IFAARN Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccccc3F)[nH]c2=O)cc1 ZINC000009518129 569543974 /nfs/dbraw/zinc/54/39/74/569543974.db2.gz KOXKITOGIQABDH-UHFFFAOYSA-N 0 0 427.461 2.783 50 0 IFAARN Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@H](C)CN3Cc2ccccc2)n(C)c1=O ZINC000009519111 569544248 /nfs/dbraw/zinc/54/42/48/569544248.db2.gz DDDPQBMGLLHAOG-QGZVFWFLSA-N 0 0 429.524 2.910 50 0 IFAARN O=C(CN1CCC2(CC1)N=C(c1cccc(Cl)c1)C(=O)N2)Nc1ccc(F)c(F)c1 ZINC000009526881 569544540 /nfs/dbraw/zinc/54/45/40/569544540.db2.gz FIQAYJUKNFDLAP-UHFFFAOYSA-N 0 0 432.858 2.968 50 0 IFAARN C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1 ZINC000009545158 569546100 /nfs/dbraw/zinc/54/61/00/569546100.db2.gz GKQRAUIPKQAHIS-CYBMUJFWSA-N 0 0 436.555 2.919 50 0 IFAARN COC[C@@H](O)CNC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O ZINC000009547346 569546381 /nfs/dbraw/zinc/54/63/81/569546381.db2.gz ACWBWPFICDVRCD-INIZCTEOSA-N 0 0 431.872 2.924 50 0 IFAARN C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009549112 569546540 /nfs/dbraw/zinc/54/65/40/569546540.db2.gz KTOLSWQICZMFBR-OAHLLOKOSA-N 0 0 442.497 2.927 50 0 IFAARN O=C([C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1)N1CCCC1 ZINC000009549518 569546631 /nfs/dbraw/zinc/54/66/31/569546631.db2.gz JSMJUSCPUGLOBE-FQEVSTJZSA-N 0 0 447.582 2.558 50 0 IFAARN COc1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009556398 569546785 /nfs/dbraw/zinc/54/67/85/569546785.db2.gz IVUGGJWHEFNALI-KRWDZBQOSA-N 0 0 449.525 2.551 50 0 IFAARN CCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1 ZINC000009572664 569547834 /nfs/dbraw/zinc/54/78/34/569547834.db2.gz QTKLIKJYALXOKB-UHFFFAOYSA-N 0 0 433.511 2.747 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2ccccc2)CCC1 ZINC000009575494 569548034 /nfs/dbraw/zinc/54/80/34/569548034.db2.gz VNYADXSWCSNXPY-UHFFFAOYSA-N 0 0 430.526 2.777 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3ccccc3C(=O)N3CCCC3)c2c1 ZINC000009577012 569548159 /nfs/dbraw/zinc/54/81/59/569548159.db2.gz GFBVAGDQCNFMMW-UHFFFAOYSA-N 0 0 434.496 2.710 50 0 IFAARN COc1ccc(CCNc2ccc3nnc(CCNC(=O)c4ccccc4)n3n2)cc1OC ZINC000009578761 569548382 /nfs/dbraw/zinc/54/83/82/569548382.db2.gz PQRDBCYMNFWYBL-UHFFFAOYSA-N 0 0 446.511 2.769 50 0 IFAARN COc1cccc(-c2nc(CC(=O)OCC(=O)NC(=O)NCc3ccccc3)cs2)c1 ZINC000009582990 569549209 /nfs/dbraw/zinc/54/92/09/569549209.db2.gz JJNROQFCHVKFOL-UHFFFAOYSA-N 0 0 439.493 2.930 50 0 IFAARN C[C@@H]1CCCN(C(=O)CSc2ncccc2C(=O)OCC(=O)N2CCC[C@H](C)C2)C1 ZINC000009583680 569549316 /nfs/dbraw/zinc/54/93/16/569549316.db2.gz CXKZLXSRDCMLMA-DLBZAZTESA-N 0 0 433.574 2.848 50 0 IFAARN CCc1cccc(CC)c1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000009586528 569549656 /nfs/dbraw/zinc/54/96/56/569549656.db2.gz HTQAFSXMKXPCNG-UHFFFAOYSA-N 0 0 432.542 2.888 50 0 IFAARN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCC(=O)Nc1ccccc1 ZINC000009588158 569549861 /nfs/dbraw/zinc/54/98/61/569549861.db2.gz WSLMBKLMBYLPEY-UHFFFAOYSA-N 0 0 428.466 2.862 50 0 IFAARN COCCn1c(=O)c2ccccc2nc1SCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000009588976 569549906 /nfs/dbraw/zinc/54/99/06/569549906.db2.gz MADHLKIVDMMYSW-UHFFFAOYSA-N 0 0 428.901 2.997 50 0 IFAARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 ZINC000009592576 569550356 /nfs/dbraw/zinc/55/03/56/569550356.db2.gz JDFNWPSWMNNYJQ-UHFFFAOYSA-N 0 0 433.497 2.931 50 0 IFAARN Cc1ccccc1Cn1c2ccsc2c(=O)n(CC(=O)NCCc2ccccc2)c1=O ZINC000009598827 569551119 /nfs/dbraw/zinc/55/11/19/569551119.db2.gz OHUSNMHEAGDRKB-UHFFFAOYSA-N 0 0 433.533 2.940 50 0 IFAARN Cc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)cc1Cl ZINC000009599487 569551242 /nfs/dbraw/zinc/55/12/42/569551242.db2.gz USBKRFSKBBEVKJ-UHFFFAOYSA-N 0 0 433.877 2.890 50 0 IFAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2NC1=O ZINC000009604284 569551814 /nfs/dbraw/zinc/55/18/14/569551814.db2.gz GDVDVTYDNFMOOB-ZDUSSCGKSA-N 0 0 441.465 2.730 50 0 IFAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O ZINC000009610007 569552489 /nfs/dbraw/zinc/55/24/89/569552489.db2.gz JPUAHEVIKZFXKO-RUZDIDTESA-N 0 0 431.492 2.952 50 0 IFAARN Cc1csc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n1 ZINC000009612826 569552889 /nfs/dbraw/zinc/55/28/89/569552889.db2.gz MEFLODAJWFRAFQ-UHFFFAOYSA-N 0 0 447.991 2.857 50 0 IFAARN CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1cccnc1)S(C)(=O)=O ZINC000009615241 569553174 /nfs/dbraw/zinc/55/31/74/569553174.db2.gz KQXHVVIHYJHZEK-UHFFFAOYSA-N 0 0 438.509 2.660 50 0 IFAARN COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1OC ZINC000009616088 569553236 /nfs/dbraw/zinc/55/32/36/569553236.db2.gz RJRGSPKQAJLZOB-UHFFFAOYSA-N 0 0 449.438 2.947 50 0 IFAARN COc1ccc(C(=O)Cn2c3ccccc3c(=O)n(Cc3ccc4c(c3)OCO4)c2=O)cc1 ZINC000009616289 569553281 /nfs/dbraw/zinc/55/32/81/569553281.db2.gz CUDRIYKBVVGWQI-UHFFFAOYSA-N 0 0 444.443 2.832 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000009620644 569553475 /nfs/dbraw/zinc/55/34/75/569553475.db2.gz WGUFMPUEOAOPBL-HSZRJFAPSA-N 0 0 441.597 2.885 50 0 IFAARN CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(Cl)cc1 ZINC000009631800 569553811 /nfs/dbraw/zinc/55/38/11/569553811.db2.gz MVPLDNYPDONPCL-MRXNPFEDSA-N 0 0 437.974 2.817 50 0 IFAARN CC(C)C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1C(=O)c2ccccc2C1=O ZINC000009632572 569554010 /nfs/dbraw/zinc/55/40/10/569554010.db2.gz ZFRCSRAEAMKSHJ-HNNXBMFYSA-N 0 0 425.510 2.985 50 0 IFAARN C[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009633129 569554187 /nfs/dbraw/zinc/55/41/87/569554187.db2.gz GUZKGVPNCOUIPI-ZDUSSCGKSA-N 0 0 441.509 2.878 50 0 IFAARN COc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc(=O)oc2c1 ZINC000009633957 569554319 /nfs/dbraw/zinc/55/43/19/569554319.db2.gz UXRVTPWIYBKMHN-UHFFFAOYSA-N 0 0 443.477 2.943 50 0 IFAARN Cn1c2ncn(CC(=O)Oc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2c(=O)n(C)c1=O ZINC000009635280 569554597 /nfs/dbraw/zinc/55/45/97/569554597.db2.gz ASORWOKJMZMGEX-UHFFFAOYSA-N 0 0 448.523 2.507 50 0 IFAARN CN(C)C(=O)COC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000009638892 569555024 /nfs/dbraw/zinc/55/50/24/569555024.db2.gz BRNLSAHUONWQLQ-UHFFFAOYSA-N 0 0 426.494 2.815 50 0 IFAARN CCOC(=O)c1sc(NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)nc1C ZINC000009638917 569555037 /nfs/dbraw/zinc/55/50/37/569555037.db2.gz VAAKACXQPHAWHR-CQSZACIVSA-N 0 0 447.538 2.985 50 0 IFAARN COc1ccc(-c2nc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)sc2C)cc1 ZINC000009640309 569555399 /nfs/dbraw/zinc/55/53/99/569555399.db2.gz XTNKAHMMFVELGL-UHFFFAOYSA-N 0 0 430.511 2.563 50 0 IFAARN COC(=O)c1cc(NC(=O)Cn2ncc3c2c2cc(C)ccc2oc3=O)cc(C(=O)OC)c1 ZINC000009641009 569555565 /nfs/dbraw/zinc/55/55/65/569555565.db2.gz WCKBUAAWXPTNJX-UHFFFAOYSA-N 0 0 449.419 2.663 50 0 IFAARN COc1cccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccccc3F)n2)c1 ZINC000009641172 569555622 /nfs/dbraw/zinc/55/56/22/569555622.db2.gz KGKUFCCVUNRIIZ-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN COc1cccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccccc3OC)n2)c1 ZINC000009641183 569555670 /nfs/dbraw/zinc/55/56/70/569555670.db2.gz PYDHASKHTOBRME-UHFFFAOYSA-N 0 0 437.481 2.833 50 0 IFAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000009643046 569555921 /nfs/dbraw/zinc/55/59/21/569555921.db2.gz BIVUSXXBHLIFJL-MRXNPFEDSA-N 0 0 440.554 2.908 50 0 IFAARN CS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c1 ZINC000009643515 569555945 /nfs/dbraw/zinc/55/59/45/569555945.db2.gz IPFYHOSPFAXSTE-UHFFFAOYSA-N 0 0 429.527 2.809 50 0 IFAARN O=C(NCCc1ccccn1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000009645231 569556097 /nfs/dbraw/zinc/55/60/97/569556097.db2.gz NCTLICMXPLGUJM-UHFFFAOYSA-N 0 0 443.356 2.647 50 0 IFAARN COc1ccc(C[C@@H](NC(=O)CCN2C(=O)NC(C)(C)C2=O)c2ccc(OC)cc2)cc1 ZINC000009645888 569556192 /nfs/dbraw/zinc/55/61/92/569556192.db2.gz REJVQGITRWIAEN-HXUWFJFHSA-N 0 0 439.512 2.824 50 0 IFAARN O=C(CSc1ncc(CO)n1Cc1ccc2c(c1)OCO2)NCCc1ccccc1 ZINC000009650418 569556518 /nfs/dbraw/zinc/55/65/18/569556518.db2.gz KTTTWGUBMXGSLM-UHFFFAOYSA-N 0 0 425.510 2.603 50 0 IFAARN COc1cc(C(=O)NCC(=O)Nc2nc(-c3ccccn3)cs2)cc(OC)c1OC ZINC000009657902 569556571 /nfs/dbraw/zinc/55/65/71/569556571.db2.gz FGZWFMLDMQTNRK-UHFFFAOYSA-N 0 0 428.470 2.599 50 0 IFAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccc(Cl)cc2)c1=O)N1CCc2ccccc21 ZINC000009660660 569556853 /nfs/dbraw/zinc/55/68/53/569556853.db2.gz HGCQSSKYIFAPNJ-UHFFFAOYSA-N 0 0 446.894 2.849 50 0 IFAARN CN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009662620 569557162 /nfs/dbraw/zinc/55/71/62/569557162.db2.gz RNVYWQSYXPMKRF-GOSISDBHSA-N 0 0 442.566 2.672 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)CCC2 ZINC000009664065 569557369 /nfs/dbraw/zinc/55/73/69/569557369.db2.gz YBXISMHFHPQCBF-LBPRGKRZSA-N 0 0 439.584 2.579 50 0 IFAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000009664664 569557451 /nfs/dbraw/zinc/55/74/51/569557451.db2.gz LIATWDYABQIHBE-QGZVFWFLSA-N 0 0 433.599 2.654 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)c2cccnc2Cl)c1 ZINC000009664741 569557458 /nfs/dbraw/zinc/55/74/58/569557458.db2.gz OLIWIKIQALBDOD-UHFFFAOYSA-N 0 0 439.921 2.869 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000009665317 569557540 /nfs/dbraw/zinc/55/75/40/569557540.db2.gz MHNVKMIZAGVSKE-INIZCTEOSA-N 0 0 430.526 2.852 50 0 IFAARN O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000009665233 569557551 /nfs/dbraw/zinc/55/75/51/569557551.db2.gz UNIMAFUPUCVDDN-JOCHJYFZSA-N 0 0 445.560 2.716 50 0 IFAARN O=c1cc(CSc2nnnn2-c2cccc(F)c2)nc2ccc(Br)cn12 ZINC000009665889 569557621 /nfs/dbraw/zinc/55/76/21/569557621.db2.gz GFPZJVOIULRXMJ-UHFFFAOYSA-N 0 0 433.266 2.864 50 0 IFAARN O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1C(=O)c1ccccc1 ZINC000009669727 569558095 /nfs/dbraw/zinc/55/80/95/569558095.db2.gz PTFXUMMDKBQZGD-UHFFFAOYSA-N 0 0 435.457 2.919 50 0 IFAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(Br)s1 ZINC000009670598 569558346 /nfs/dbraw/zinc/55/83/46/569558346.db2.gz METGFWVVVCWEDW-VIFPVBQESA-N 0 0 439.378 2.540 50 0 IFAARN CN(Cc1ccc2c(c1)OCO2)C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000009671363 569558536 /nfs/dbraw/zinc/55/85/36/569558536.db2.gz LKONLVIHLJTDFX-UHFFFAOYSA-N 0 0 430.526 2.621 50 0 IFAARN CN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000009671771 569558606 /nfs/dbraw/zinc/55/86/06/569558606.db2.gz KCKSCMUHWTYOOU-UHFFFAOYSA-N 0 0 428.466 2.759 50 0 IFAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc2c(cc1Br)OCCO2 ZINC000009672643 569558876 /nfs/dbraw/zinc/55/88/76/569558876.db2.gz DFVPEXNQWFGWLX-LLVKDONJSA-N 0 0 439.331 2.819 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC(C)CC1 ZINC000009673280 569558932 /nfs/dbraw/zinc/55/89/32/569558932.db2.gz DIDJBQWMNNSBSV-QUDVFMAMSA-N 0 0 434.602 2.951 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000009676639 569559410 /nfs/dbraw/zinc/55/94/10/569559410.db2.gz AVKRQUARRBTKSW-UHFFFAOYSA-N 0 0 425.510 2.827 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)cc2C[C@@H]1C ZINC000009677066 569559527 /nfs/dbraw/zinc/55/95/27/569559527.db2.gz WPKGYNOPFPMPJN-HNNXBMFYSA-N 0 0 432.517 2.994 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cc(OC)cc(OC)c3)ccc21 ZINC000009677250 569559534 /nfs/dbraw/zinc/55/95/34/569559534.db2.gz MUKHUAGFTGODQM-UHFFFAOYSA-N 0 0 446.525 2.805 50 0 IFAARN COc1cc(NC(=O)c2nnn(CC(=O)Nc3c(C)cc(C)cc3C)c2N)cc(OC)c1 ZINC000009677996 569559589 /nfs/dbraw/zinc/55/95/89/569559589.db2.gz QUCAUVPFDQRALI-UHFFFAOYSA-N 0 0 438.488 2.694 50 0 IFAARN CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2c(c1)OC[C@@H](C(=O)N1CCCC1)O2 ZINC000009683477 569560371 /nfs/dbraw/zinc/56/03/71/569560371.db2.gz CPLDBFKMACLWME-NRFANRHFSA-N 0 0 446.525 2.673 50 0 IFAARN CCCN(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1nnc(-c2ccco2)o1 ZINC000009683434 569560394 /nfs/dbraw/zinc/56/03/94/569560394.db2.gz CPBWAROELFGHFS-UHFFFAOYSA-N 0 0 429.502 2.829 50 0 IFAARN Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCCC2)O3)c1 ZINC000009683667 569560434 /nfs/dbraw/zinc/56/04/34/569560434.db2.gz CJAYWBLDORQONA-NRFANRHFSA-N 0 0 430.526 2.972 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000009684244 569560517 /nfs/dbraw/zinc/56/05/17/569560517.db2.gz MRNCKORQDNDJAT-OAHLLOKOSA-N 0 0 446.525 2.596 50 0 IFAARN CC(C)CN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000009691116 569561024 /nfs/dbraw/zinc/56/10/24/569561024.db2.gz YKUCIOYZHCNIOP-GOSISDBHSA-N 0 0 448.614 2.909 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(N)c2)cc1 ZINC000009691896 569561072 /nfs/dbraw/zinc/56/10/72/569561072.db2.gz OQCURRFRUUTHJD-LBPRGKRZSA-N 0 0 439.921 2.793 50 0 IFAARN COCCCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3F)cc2C1=O ZINC000009700727 569561276 /nfs/dbraw/zinc/56/12/76/569561276.db2.gz LIPTVGMHUWPNLP-CYBMUJFWSA-N 0 0 428.416 2.642 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccc(Cl)cc1)=NN3CCc1ccccc1 ZINC000009707496 569561535 /nfs/dbraw/zinc/56/15/35/569561535.db2.gz FOHABJNXDYZROA-UHFFFAOYSA-N 0 0 448.914 2.554 50 0 IFAARN COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 ZINC000009708134 569561841 /nfs/dbraw/zinc/56/18/41/569561841.db2.gz NYVKKJXKVUBGIO-QFIPXVFZSA-N 0 0 433.508 2.867 50 0 IFAARN COc1ccccc1CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 ZINC000009708130 569561844 /nfs/dbraw/zinc/56/18/44/569561844.db2.gz LLDVOPJCGAJYPT-NRFANRHFSA-N 0 0 433.508 2.867 50 0 IFAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009712136 569562135 /nfs/dbraw/zinc/56/21/35/569562135.db2.gz JBAIIPUKWCVSCI-UHFFFAOYSA-N 0 0 444.495 2.704 50 0 IFAARN O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009712098 569562149 /nfs/dbraw/zinc/56/21/49/569562149.db2.gz NDRLVDJVGVPSGU-UHFFFAOYSA-N 0 0 446.492 2.666 50 0 IFAARN COc1cc(C(=O)Oc2coc(CSc3nccn3C)cc2=O)cc(OC)c1OC ZINC000009712922 569562422 /nfs/dbraw/zinc/56/24/22/569562422.db2.gz RJCYXCCYHOUJMD-UHFFFAOYSA-N 0 0 432.454 2.911 50 0 IFAARN CCCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F ZINC000009714514 569562800 /nfs/dbraw/zinc/56/28/00/569562800.db2.gz LTLTYYBWZCDCRG-UHFFFAOYSA-N 0 0 439.456 2.570 50 0 IFAARN O=C(COc1coc(CN2CCc3ccccc32)cc1=O)NCc1ccc2c(c1)OCO2 ZINC000009716541 569563205 /nfs/dbraw/zinc/56/32/05/569563205.db2.gz PQUDYBMJXYJQLY-UHFFFAOYSA-N 0 0 434.448 2.626 50 0 IFAARN Cc1ccccc1-n1c(SCc2cc(=O)n3ccsc3n2)nnc1N1CCOCC1 ZINC000009724091 569563659 /nfs/dbraw/zinc/56/36/59/569563659.db2.gz HRYOQLVQTNHFLN-UHFFFAOYSA-N 0 0 440.554 2.774 50 0 IFAARN Cc1cc(=O)c(C(=O)NCCc2ccc3c(c2)OCCO3)nn1-c1ccccc1Cl ZINC000009724299 569563704 /nfs/dbraw/zinc/56/37/04/569563704.db2.gz QTBHBHHYMMBMRI-UHFFFAOYSA-N 0 0 425.872 2.938 50 0 IFAARN O=C(Cc1sc(N2CCCC2)nc1O)Nc1ccc(C(=O)NCCc2ccco2)cc1 ZINC000009725125 569563778 /nfs/dbraw/zinc/56/37/78/569563778.db2.gz WHTGNBRQASCIHN-GOSISDBHSA-N 0 0 440.525 2.675 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)c(F)c2)cc1 ZINC000009725780 569563814 /nfs/dbraw/zinc/56/38/14/569563814.db2.gz MDAYAOCVTYBSTM-UHFFFAOYSA-N 0 0 438.477 2.660 50 0 IFAARN CCc1cccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2N2CCOCC2)c1 ZINC000009726593 569563950 /nfs/dbraw/zinc/56/39/50/569563950.db2.gz DEHNQVZMWRYPCD-UHFFFAOYSA-N 0 0 449.540 2.521 50 0 IFAARN CCOc1ccccc1CNC(=O)Cn1ncn2nc(-c3ccc(CC)cc3)cc2c1=O ZINC000009727289 569564000 /nfs/dbraw/zinc/56/40/00/569564000.db2.gz KZVOPLDAFZODCA-UHFFFAOYSA-N 0 0 431.496 2.836 50 0 IFAARN CCOc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000009730196 569564371 /nfs/dbraw/zinc/56/43/71/569564371.db2.gz OORAALSXFVFMHJ-UHFFFAOYSA-N 0 0 441.513 2.703 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(OC)c2)NC(=O)N[C@@H]1c1ccccc1 ZINC000009730191 569564414 /nfs/dbraw/zinc/56/44/14/569564414.db2.gz YUQFRZPKTSQXIJ-HXUWFJFHSA-N 0 0 440.452 2.732 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000009730496 569564459 /nfs/dbraw/zinc/56/44/59/569564459.db2.gz VMDGGXNVOJRBBY-UHFFFAOYSA-N 0 0 441.553 2.935 50 0 IFAARN NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 ZINC000009739469 569565019 /nfs/dbraw/zinc/56/50/19/569565019.db2.gz LFJGYSOPGQVJOP-UHFFFAOYSA-N 0 0 443.341 2.622 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccco2)cc1 ZINC000009740180 569565147 /nfs/dbraw/zinc/56/51/47/569565147.db2.gz LNWLNJUPPVCERE-IBGZPJMESA-N 0 0 430.457 2.997 50 0 IFAARN Cc1cc(C)cc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 ZINC000009742986 569565426 /nfs/dbraw/zinc/56/54/26/569565426.db2.gz CWKWBMWYPADCOM-HXUWFJFHSA-N 0 0 443.569 2.992 50 0 IFAARN Cc1cc(C)cc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 ZINC000009742979 569565438 /nfs/dbraw/zinc/56/54/38/569565438.db2.gz CWKWBMWYPADCOM-FQEVSTJZSA-N 0 0 443.569 2.992 50 0 IFAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCCCC1 ZINC000009743362 569565485 /nfs/dbraw/zinc/56/54/85/569565485.db2.gz XOIYFVZVXQVLTB-LJQANCHMSA-N 0 0 435.590 2.575 50 0 IFAARN Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000009743865 569565526 /nfs/dbraw/zinc/56/55/26/569565526.db2.gz JENOBIYPRZJOTH-LJQANCHMSA-N 0 0 447.532 2.822 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC2CCCC2)c(C)c1 ZINC000009745815 569565699 /nfs/dbraw/zinc/56/56/99/569565699.db2.gz DAVDATFMTMFDGA-FQEVSTJZSA-N 0 0 449.617 2.720 50 0 IFAARN Cc1cccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1 ZINC000009746580 569565763 /nfs/dbraw/zinc/56/57/63/569565763.db2.gz VHUZOTKIHRDFEL-KRWDZBQOSA-N 0 0 435.571 2.745 50 0 IFAARN CCc1ccc([C@H](C)NC(=O)COC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1 ZINC000009754726 569566142 /nfs/dbraw/zinc/56/61/42/569566142.db2.gz XHDRURPBQFPZEP-INIZCTEOSA-N 0 0 432.542 2.970 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000009761833 569566308 /nfs/dbraw/zinc/56/63/08/569566308.db2.gz NRXYWRZXOUNMAL-UHFFFAOYSA-N 0 0 425.416 2.874 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000009761757 569566316 /nfs/dbraw/zinc/56/63/16/569566316.db2.gz MQKGVDOCMKCSQJ-UHFFFAOYSA-N 0 0 425.416 2.874 50 0 IFAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000009762596 569566514 /nfs/dbraw/zinc/56/65/14/569566514.db2.gz IMZBTUGEUBCCQU-UHFFFAOYSA-N 0 0 433.917 2.925 50 0 IFAARN O=C(CCCc1ccccc1)Nc1ccc(-n2nnc(C(=O)NCC(F)(F)F)n2)cc1 ZINC000071004851 569566582 /nfs/dbraw/zinc/56/65/82/569566582.db2.gz WTUFEFISKSYVMX-UHFFFAOYSA-N 0 0 432.406 2.916 50 0 IFAARN O=C(Nc1ccc(-n2nnc(C(=O)NC3CCCC3)n2)cc1)Nc1ccc2c(c1)OCO2 ZINC000071003346 569566611 /nfs/dbraw/zinc/56/66/11/569566611.db2.gz BKRGMKOJSINVAE-UHFFFAOYSA-N 0 0 435.444 2.707 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccnn1Cc1cccs1 ZINC000009764506 569566798 /nfs/dbraw/zinc/56/67/98/569566798.db2.gz YSOUUVHPBYUYPQ-QFIPXVFZSA-N 0 0 435.509 2.715 50 0 IFAARN NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000009767562 569566952 /nfs/dbraw/zinc/56/69/52/569566952.db2.gz QJBHXAYSZSZUJK-AWEZNQCLSA-N 0 0 429.723 2.703 50 0 IFAARN Cn1c2nc(NC3CCCCC3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000009781351 569567549 /nfs/dbraw/zinc/56/75/49/569567549.db2.gz UQRWAKHXGKZZST-UHFFFAOYSA-N 0 0 446.349 2.989 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CSc1nn2c(nnc(C(C)(C)C)c2=O)s1 ZINC000009808630 569569036 /nfs/dbraw/zinc/56/90/36/569569036.db2.gz MSHSDNDYNIMBIQ-UHFFFAOYSA-N 0 0 447.542 2.751 50 0 IFAARN COc1cc(Cl)c(C)cc1-n1ccn(CC(=O)NCc2ccccc2Cl)c(=O)c1=O ZINC000009808659 569569053 /nfs/dbraw/zinc/56/90/53/569569053.db2.gz GBGUEBXPRWLMMY-UHFFFAOYSA-N 0 0 448.306 2.939 50 0 IFAARN COc1ccc(-n2ccn(CC(=O)Nc3ccc(C)cc3Cl)c(=O)c2=O)cc1OC ZINC000009808699 569569060 /nfs/dbraw/zinc/56/90/60/569569060.db2.gz OJYKEAIRMQPKHC-UHFFFAOYSA-N 0 0 429.860 2.617 50 0 IFAARN CN(CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)S(=O)(=O)c1cccs1 ZINC000009813486 569569088 /nfs/dbraw/zinc/56/90/88/569569088.db2.gz RFSROTGSXRBEMA-UHFFFAOYSA-N 0 0 445.570 2.992 50 0 IFAARN Cc1ccc(-n2c(=O)[nH]c3c(C(=O)NCCc4c[nH]c5ccccc45)cn(C)c3c2=O)cc1 ZINC000009821151 569569460 /nfs/dbraw/zinc/56/94/60/569569460.db2.gz RMBZXEDVDADHRU-UHFFFAOYSA-N 0 0 441.491 2.780 50 0 IFAARN COc1ccccc1-n1c(C)cn2c1nc1c2c(=O)n(Cc2ccccc2C)c(=O)n1C ZINC000009829377 569570075 /nfs/dbraw/zinc/57/00/75/569570075.db2.gz XHEBRIQZECCNGA-UHFFFAOYSA-N 0 0 429.480 2.812 50 0 IFAARN COc1cccc(-n2c(C)cn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)c1 ZINC000009829383 569570086 /nfs/dbraw/zinc/57/00/86/569570086.db2.gz BULLMOYEDHEATD-UHFFFAOYSA-N 0 0 429.480 2.812 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc2)C[C@@H](C)O1 ZINC000009832042 569570291 /nfs/dbraw/zinc/57/02/91/569570291.db2.gz XZQCKNNXMIDCHX-IAGOWNOFSA-N 0 0 440.525 2.923 50 0 IFAARN COC(=O)c1cc(NC(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)cc(C(=O)OC)c1 ZINC000009834177 569570570 /nfs/dbraw/zinc/57/05/70/569570570.db2.gz CPCXSSARPOIHRT-UHFFFAOYSA-N 0 0 435.436 2.963 50 0 IFAARN CCc1ccccc1-n1c(SCc2nnnn2-c2ccccc2)nnc1N1CCOCC1 ZINC000009836088 569570761 /nfs/dbraw/zinc/57/07/61/569570761.db2.gz RCJYTZPGJQCHMU-UHFFFAOYSA-N 0 0 448.556 2.934 50 0 IFAARN Cc1nc2ccc(S(=O)(=O)NCCn3nc(-c4ccc(F)cc4)ccc3=O)cc2s1 ZINC000009844621 569570904 /nfs/dbraw/zinc/57/09/04/569570904.db2.gz YNGAHMCYVZSBGY-UHFFFAOYSA-N 0 0 444.513 2.946 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc4c(c3)CCCC4)n2)cc1 ZINC000009844549 569570917 /nfs/dbraw/zinc/57/09/17/569570917.db2.gz WQPXXFQNKWRLOG-UHFFFAOYSA-N 0 0 439.537 2.776 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000009852966 569571449 /nfs/dbraw/zinc/57/14/49/569571449.db2.gz BZMJJTDTTRMIDI-UHFFFAOYSA-N 0 0 445.472 2.817 50 0 IFAARN COc1ccc(NC(=O)c2cccc(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)c(OC)c1 ZINC000009860287 569571822 /nfs/dbraw/zinc/57/18/22/569571822.db2.gz VKCGUNGZMOQCOU-AEFFLSMTSA-N 0 0 447.538 2.636 50 0 IFAARN Cc1ccc(C(=O)NCCc2ccccc2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1 ZINC000009860621 569571842 /nfs/dbraw/zinc/57/18/42/569571842.db2.gz MHEKEANIQYUDEJ-MOPGFXCFSA-N 0 0 429.567 2.648 50 0 IFAARN CCOc1ccc(-c2nnc(SCc3cccc(S(=O)(=O)N(C)C)c3)n2N)cc1 ZINC000009861674 569571997 /nfs/dbraw/zinc/57/19/97/569571997.db2.gz DVQXFEMAFVXFMQ-UHFFFAOYSA-N 0 0 433.559 2.600 50 0 IFAARN O=C(NCCc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000009867539 569572276 /nfs/dbraw/zinc/57/22/76/569572276.db2.gz CAFAOWMKRWVLBT-UHFFFAOYSA-N 0 0 425.913 2.738 50 0 IFAARN COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1F ZINC000009863495 569572110 /nfs/dbraw/zinc/57/21/10/569572110.db2.gz LCBFDLJFPOXFLO-QGZVFWFLSA-N 0 0 436.505 2.564 50 0 IFAARN CCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nnc1C1CC1 ZINC000009872445 569572428 /nfs/dbraw/zinc/57/24/28/569572428.db2.gz SARIQWLNAKZZOJ-UHFFFAOYSA-N 0 0 435.575 2.691 50 0 IFAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1nnnn1-c1ccccc1 ZINC000009873759 569572551 /nfs/dbraw/zinc/57/25/51/569572551.db2.gz GLRZIQZVMAJPCU-UHFFFAOYSA-N 0 0 443.558 2.752 50 0 IFAARN COc1ccc(C(=O)NCCn2c(C)nc3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000009885491 569572879 /nfs/dbraw/zinc/57/28/79/569572879.db2.gz RNZYRPDNKPBDOE-UHFFFAOYSA-N 0 0 442.541 2.568 50 0 IFAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000009899079 569573044 /nfs/dbraw/zinc/57/30/44/569573044.db2.gz XLRAVHINXQFUML-UHFFFAOYSA-N 0 0 427.482 2.712 50 0 IFAARN CCCn1c2ccccc2n(CCC(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c1=O ZINC000009905852 569573120 /nfs/dbraw/zinc/57/31/20/569573120.db2.gz QLIVODQELACOEG-UHFFFAOYSA-N 0 0 435.528 2.941 50 0 IFAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000071279797 569573560 /nfs/dbraw/zinc/57/35/60/569573560.db2.gz FZRIUXRLGKDXKO-KBPBESRZSA-N 0 0 435.502 2.701 50 0 IFAARN Cc1noc(C)c1CN1CC[NH+](C[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])CC1 ZINC000071280398 569573628 /nfs/dbraw/zinc/57/36/28/569573628.db2.gz QUCMSCOCJWXLPF-INIZCTEOSA-N 0 0 434.924 2.792 50 0 IFAARN C[C@@H](NC(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1cc2ccccc2o1 ZINC000009951819 569574482 /nfs/dbraw/zinc/57/44/82/569574482.db2.gz CQGFNRHQUNATHP-OLZOCXBDSA-N 0 0 435.527 2.763 50 0 IFAARN C[C@@H](NC(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1cc2ccccc2o1 ZINC000009951832 569574496 /nfs/dbraw/zinc/57/44/96/569574496.db2.gz CQGFNRHQUNATHP-CHWSQXEVSA-N 0 0 435.527 2.763 50 0 IFAARN CCCCn1c(=O)c(CCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000009951437 569574507 /nfs/dbraw/zinc/57/45/07/569574507.db2.gz SMAFQLJYIJGEHE-UHFFFAOYSA-N 0 0 430.508 2.880 50 0 IFAARN NC(=O)c1ccc(-c2nnn(CC(=O)N(CCc3ccccc3)Cc3cccs3)n2)cc1 ZINC000009953782 569574722 /nfs/dbraw/zinc/57/47/22/569574722.db2.gz RJXOLQUBSFBEDB-UHFFFAOYSA-N 0 0 446.536 2.772 50 0 IFAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cc(OC)cc(OC)c2)c1C ZINC000071327277 569575236 /nfs/dbraw/zinc/57/52/36/569575236.db2.gz RGWONRKMIQKVRN-UHFFFAOYSA-N 0 0 439.472 2.893 50 0 IFAARN COc1cc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)cc(OC)c1 ZINC000071327272 569575247 /nfs/dbraw/zinc/57/52/47/569575247.db2.gz AMVDBMXCKDLVFO-UHFFFAOYSA-N 0 0 427.436 2.942 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000009961329 569575566 /nfs/dbraw/zinc/57/55/66/569575566.db2.gz DIWIPYCLHWEQEO-JKSUJKDBSA-N 0 0 434.514 2.711 50 0 IFAARN COC(=O)[C@@H](C)NC(=O)c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1 ZINC000071328996 569575581 /nfs/dbraw/zinc/57/55/81/569575581.db2.gz TXFBGZJRHWRGMY-LLVKDONJSA-N 0 0 435.253 2.856 50 0 IFAARN CCCCn1c2ncn(Cc3ccco3)c2c(=O)n(CC(=O)Nc2cccc(F)c2)c1=O ZINC000009968926 569575951 /nfs/dbraw/zinc/57/59/51/569575951.db2.gz NVQXVJTVRXVOLY-UHFFFAOYSA-N 0 0 439.447 2.579 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nc3sc(C)cc3c(=O)n2C)cc1OC ZINC000009970695 569576202 /nfs/dbraw/zinc/57/62/02/569576202.db2.gz BBNRPGQSQDQGAF-UHFFFAOYSA-N 0 0 433.555 2.772 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1C ZINC000009974558 569576421 /nfs/dbraw/zinc/57/64/21/569576421.db2.gz HZFJYNNMQFUQOJ-INIZCTEOSA-N 0 0 446.525 2.814 50 0 IFAARN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cc2ccccc2oc1=O ZINC000009980214 569576431 /nfs/dbraw/zinc/57/64/31/569576431.db2.gz VTBIHEMPTMOPNV-UHFFFAOYSA-N 0 0 427.210 2.920 50 0 IFAARN COc1ccc2c(CC(=O)OCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)coc2c1 ZINC000009981954 569576480 /nfs/dbraw/zinc/57/64/80/569576480.db2.gz GCRZLHANFVPVKL-UHFFFAOYSA-N 0 0 449.463 2.964 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1ccc2c(c1)OCCCO2 ZINC000009982928 569576538 /nfs/dbraw/zinc/57/65/38/569576538.db2.gz ZZYMILSURUBBQI-UHFFFAOYSA-N 0 0 449.554 2.758 50 0 IFAARN Cc1ccc2nc(COC(=O)[C@@H](C)SCC(=O)Nc3ccc(F)cc3)cc(=O)n2c1 ZINC000009981990 569576567 /nfs/dbraw/zinc/57/65/67/569576567.db2.gz RNABFRZYAVTFOY-CQSZACIVSA-N 0 0 429.473 2.946 50 0 IFAARN COc1ccc(NC(=O)CCSc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000009988670 569576823 /nfs/dbraw/zinc/57/68/23/569576823.db2.gz KKKXGHHTQHHHAA-UHFFFAOYSA-N 0 0 436.555 2.837 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009995268 569577014 /nfs/dbraw/zinc/57/70/14/569577014.db2.gz CHPALLYUNOWEPV-UHFFFAOYSA-N 0 0 444.513 2.682 50 0 IFAARN Cc1oc(NC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c2c1c(C)n[nH]c2=O ZINC000010021762 569577222 /nfs/dbraw/zinc/57/72/22/569577222.db2.gz OOJBWTHDQVUCND-UHFFFAOYSA-N 0 0 437.485 2.852 50 0 IFAARN Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1 ZINC000010030168 569577297 /nfs/dbraw/zinc/57/72/97/569577297.db2.gz LZGCVCIORXPPOY-UHFFFAOYSA-N 0 0 448.595 2.625 50 0 IFAARN O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)OCc1c(F)cccc1Cl ZINC000010069977 569577629 /nfs/dbraw/zinc/57/76/29/569577629.db2.gz PKTHZPFKZBWSLY-UHFFFAOYSA-N 0 0 429.853 2.662 50 0 IFAARN CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)s1 ZINC000010086368 569577740 /nfs/dbraw/zinc/57/77/40/569577740.db2.gz PAJVFMWFSIWBQK-UHFFFAOYSA-N 0 0 427.935 2.507 50 0 IFAARN Cc1c(C)n(C2CCCC2)c2nc3c(c(=O)n(CC(=O)OCc4ccccc4)c(=O)n3C)n12 ZINC000010103064 569577839 /nfs/dbraw/zinc/57/78/39/569577839.db2.gz RKMZSGRKKYZXKZ-UHFFFAOYSA-N 0 0 449.511 2.625 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000010166429 569578246 /nfs/dbraw/zinc/57/82/46/569578246.db2.gz WWDDDFRFVOGNSG-JTQLQIEISA-N 0 0 430.288 2.974 50 0 IFAARN CCc1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000010172953 569578288 /nfs/dbraw/zinc/57/82/88/569578288.db2.gz GRXPYBRGHMLHSK-UHFFFAOYSA-N 0 0 427.570 2.683 50 0 IFAARN Cc1sc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C(N)=O)c1C ZINC000010186870 569578470 /nfs/dbraw/zinc/57/84/70/569578470.db2.gz BEFWHKSOKOWZTF-UHFFFAOYSA-N 0 0 427.573 2.565 50 0 IFAARN COc1cccc(-n2c3nc(-c4cccc(Br)c4)nc(C(N)=O)c3[nH]c2=O)c1 ZINC000010187992 569578741 /nfs/dbraw/zinc/57/87/41/569578741.db2.gz OHLBXWFIIHVLAZ-UHFFFAOYSA-N 0 0 440.257 2.646 50 0 IFAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NC[C@H]1COc2ccccc2O1 ZINC000010214181 569579106 /nfs/dbraw/zinc/57/91/06/569579106.db2.gz MNYGICPDDYTZDR-HNNXBMFYSA-N 0 0 436.420 2.645 50 0 IFAARN CCOCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C)c(Cl)c2)n(C)c1=O ZINC000010271894 569580081 /nfs/dbraw/zinc/58/00/81/569580081.db2.gz VJDVYPKRLGKSNS-UHFFFAOYSA-N 0 0 429.908 2.754 50 0 IFAARN Cc1cn2c3c(nc2n1C(C)C)n(C)c(=O)n(Cc1ccc(Br)cc1)c3=O ZINC000010271870 569580101 /nfs/dbraw/zinc/58/01/01/569580101.db2.gz JLBPLVMYQSXATC-UHFFFAOYSA-N 0 0 430.306 2.850 50 0 IFAARN CCOCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C(F)(F)F)cc2)n(C)c1=O ZINC000010271911 569580125 /nfs/dbraw/zinc/58/01/25/569580125.db2.gz ATNMJVDMTDNNRH-UHFFFAOYSA-N 0 0 449.433 2.811 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000010273516 569580221 /nfs/dbraw/zinc/58/02/21/569580221.db2.gz BHYBZDXRTLQOFI-GOSISDBHSA-N 0 0 434.901 2.903 50 0 IFAARN COc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(OC)c(C)c3)nn2)cc1 ZINC000010275797 569580394 /nfs/dbraw/zinc/58/03/94/569580394.db2.gz RTFUCIBCFHOCOJ-UHFFFAOYSA-N 0 0 429.498 2.827 50 0 IFAARN Cc1noc(-c2ccnc(-n3cnc(C(=O)N4CCN(c5ccc(C)cc5)CC4)c3)c2)n1 ZINC000071768231 569580635 /nfs/dbraw/zinc/58/06/35/569580635.db2.gz FSGAYERVNVGDAK-UHFFFAOYSA-N 0 0 429.484 2.897 50 0 IFAARN CCOc1cc(CNC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)ccc1OC ZINC000071768384 569580717 /nfs/dbraw/zinc/58/07/17/569580717.db2.gz NCEPXIHIGPJCPJ-UHFFFAOYSA-N 0 0 434.456 2.963 50 0 IFAARN CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cc(OC)ccc4OC)c3)c2)n1 ZINC000071768521 569580719 /nfs/dbraw/zinc/58/07/19/569580719.db2.gz AWPOVNIMAMJCGV-UHFFFAOYSA-N 0 0 434.456 2.827 50 0 IFAARN COc1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c2nccn2C)cc1 ZINC000010322949 569580947 /nfs/dbraw/zinc/58/09/47/569580947.db2.gz YAGWXHBQVHQJJW-FQEVSTJZSA-N 0 0 442.541 2.635 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)Nc2ccccc2)c1 ZINC000071772647 569580960 /nfs/dbraw/zinc/58/09/60/569580960.db2.gz PZNCDOWXTDTOBE-MRXNPFEDSA-N 0 0 440.525 2.598 50 0 IFAARN COC(=O)c1ccc(NC(=O)CSc2ncc(CO)n2Cc2ccc(OC)cc2)cc1 ZINC000010336466 569581134 /nfs/dbraw/zinc/58/11/34/569581134.db2.gz NBNTUNJZRCGGCK-UHFFFAOYSA-N 0 0 441.509 2.950 50 0 IFAARN COc1cccc(C(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)c1 ZINC000010337280 569581189 /nfs/dbraw/zinc/58/11/89/569581189.db2.gz XKWDQTVAMBCGSX-UHFFFAOYSA-N 0 0 431.539 2.671 50 0 IFAARN O=C(Nc1nnc(-c2cccs2)o1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000010337461 569581287 /nfs/dbraw/zinc/58/12/87/569581287.db2.gz BWURAMOIBDQOFN-UHFFFAOYSA-N 0 0 436.490 2.977 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2Cn2ccnc2)s1 ZINC000071795983 569581474 /nfs/dbraw/zinc/58/14/74/569581474.db2.gz SUMOVOOWYJEPSC-LJQANCHMSA-N 0 0 444.582 2.771 50 0 IFAARN O=C(COc1ccc(F)cc1Cl)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000010375593 569581550 /nfs/dbraw/zinc/58/15/50/569581550.db2.gz HEJCOTLLNSIUJS-UHFFFAOYSA-N 0 0 426.897 2.827 50 0 IFAARN O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 ZINC000071805109 569581824 /nfs/dbraw/zinc/58/18/24/569581824.db2.gz KSHWQZAQCPMPCL-UHFFFAOYSA-N 0 0 427.508 2.940 50 0 IFAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccccc2N2CCc3sccc3C2)C1 ZINC000071808632 569581836 /nfs/dbraw/zinc/58/18/36/569581836.db2.gz LKTULDIFEPMYDG-MRXNPFEDSA-N 0 0 434.587 2.856 50 0 IFAARN Cn1c2ccccc2n(CCC(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)c1=O ZINC000010405590 569581914 /nfs/dbraw/zinc/58/19/14/569581914.db2.gz GGWNOQBQBVEDIG-UHFFFAOYSA-N 0 0 448.479 2.587 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000010441411 569582189 /nfs/dbraw/zinc/58/21/89/569582189.db2.gz SQOKJSCSHFDCMZ-UHFFFAOYSA-N 0 0 448.781 2.963 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010444910 569582249 /nfs/dbraw/zinc/58/22/49/569582249.db2.gz BETCQEHUSUJJNL-LJQANCHMSA-N 0 0 449.598 2.928 50 0 IFAARN CCOC(=O)c1c2ccccc2oc1CN1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000071846820 569582394 /nfs/dbraw/zinc/58/23/94/569582394.db2.gz QILOXFHHEMHMIW-UHFFFAOYSA-N 0 0 426.473 2.662 50 0 IFAARN COc1cc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)ccc1OC(F)F ZINC000071850193 569582407 /nfs/dbraw/zinc/58/24/07/569582407.db2.gz VQMMUASEKQLPMO-CYBMUJFWSA-N 0 0 446.497 2.828 50 0 IFAARN Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000010518434 569582680 /nfs/dbraw/zinc/58/26/80/569582680.db2.gz TWFZYUINGSCATG-UHFFFAOYSA-N 0 0 445.360 2.999 50 0 IFAARN COC(=O)c1nc(NC(=O)C2(n3cnnn3)CCCCC2)sc1-c1ccccc1Cl ZINC000072405229 569583693 /nfs/dbraw/zinc/58/36/93/569583693.db2.gz FAFKOYKJHWEMLE-UHFFFAOYSA-N 0 0 446.920 3.535 50 0 IFAARN COC(=O)c1nc(NC(=O)[C@H](NC(=O)c2cccnc2)c2ccccc2)sc1C(C)C ZINC000095480549 569583744 /nfs/dbraw/zinc/58/37/44/569583744.db2.gz ZKFCZUUGHPELRO-MRXNPFEDSA-N 0 0 438.509 3.558 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)NCCC(=O)Nc3nc4ccccc4s3)CC2=O)cc1 ZINC000032097071 569584634 /nfs/dbraw/zinc/58/46/34/569584634.db2.gz KURBVMYYYSCJDQ-CQSZACIVSA-N 0 0 438.509 2.803 50 0 IFAARN COc1ccc2nc(NC(=O)Cn3nc(-c4ccc(F)cc4OC)ccc3=O)sc2c1 ZINC000049547737 569584674 /nfs/dbraw/zinc/58/46/74/569584674.db2.gz KUZQHIJDZQDSRK-UHFFFAOYSA-N 0 0 440.456 3.315 50 0 IFAARN COc1ccc2c(cc(C(=O)N[C@H](CCSC)C(=O)Nc3nc(C)cs3)n2C)c1 ZINC000036585027 569584716 /nfs/dbraw/zinc/58/47/16/569584716.db2.gz JOKIHWDMBOSHLB-OAHLLOKOSA-N 0 0 432.571 3.442 50 0 IFAARN COc1ccc(CCNC(=O)CN2CC(c3nc(-c4ccsc4)no3)C2)cc1OC ZINC000077099606 569585245 /nfs/dbraw/zinc/58/52/45/569585245.db2.gz VEZGSFVUPSAZRZ-UHFFFAOYSA-N 0 0 428.514 2.573 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)c1nnn(-c3ccc(C(F)(F)F)cc3)n1)CC2 ZINC000077100355 569585348 /nfs/dbraw/zinc/58/53/48/569585348.db2.gz IFSPJXJZPCBVFU-UHFFFAOYSA-N 0 0 433.390 2.897 50 0 IFAARN Cn1nc(C2CCN(CC(=O)Nc3cc(F)ccc3F)CC2)n(-c2ccccc2)c1=O ZINC000077100654 569585424 /nfs/dbraw/zinc/58/54/24/569585424.db2.gz RWPCHVPZEZZVFH-UHFFFAOYSA-N 0 0 427.455 2.667 50 0 IFAARN Cn1nc([C@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)n(-c2ccccc2)c1=O ZINC000077100572 569585451 /nfs/dbraw/zinc/58/54/51/569585451.db2.gz JCARYJCJSSGSLG-KRWDZBQOSA-N 0 0 430.464 2.697 50 0 IFAARN O=C(NCC[C@@H](O)c1cccc2ccccc21)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2 ZINC000077118849 569585679 /nfs/dbraw/zinc/58/56/79/569585679.db2.gz KMILULAQYVRRPM-JOCHJYFZSA-N 0 0 443.503 2.854 50 0 IFAARN Cc1cc(C)n(CCN2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000077196867 569586184 /nfs/dbraw/zinc/58/61/84/569586184.db2.gz NXZZKLPJCZUNNE-UHFFFAOYSA-N 0 0 430.496 2.915 50 0 IFAARN O=S(=O)(Cc1cc(F)ccc1F)NCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000077200785 569586577 /nfs/dbraw/zinc/58/65/77/569586577.db2.gz OVNDVKGHLXEZAV-UHFFFAOYSA-N 0 0 429.920 2.860 50 0 IFAARN O=C(CCc1nc(-c2cc3ccccc3[nH]c2=O)no1)N1CCN(c2ccccc2)CC1 ZINC000035476690 569587687 /nfs/dbraw/zinc/58/76/87/569587687.db2.gz OWDVWYHXIAFXSK-UHFFFAOYSA-N 0 0 429.480 2.860 50 0 IFAARN CCNC(=S)N(CCCOC)Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1 ZINC000036312899 569587990 /nfs/dbraw/zinc/58/79/90/569587990.db2.gz VSKYHIYKEYJHFK-UHFFFAOYSA-N 0 0 449.596 2.965 50 0 IFAARN COCCN(CCC(=O)NC[C@@H]1CCCO1)C(=O)c1csc(Nc2cccc(C)c2)n1 ZINC000037426104 569588030 /nfs/dbraw/zinc/58/80/30/569588030.db2.gz DKZFLPDRGLIKSS-SFHVURJKSA-N 0 0 446.573 2.969 50 0 IFAARN Cc1c(N(C)CN(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000000640396 193867552 /nfs/dbraw/zinc/86/75/52/193867552.db2.gz GEFDLFMKEPTYLA-UHFFFAOYSA-N 0 0 446.555 2.812 50 0 IFAARN COc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(OC)c1 ZINC000000662154 193876788 /nfs/dbraw/zinc/87/67/88/193876788.db2.gz XWBVTMYNHZKMLP-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN CC(C)CN(C(=O)COC(=O)c1csc2c1CC[C@H](C)C2)[C@H]1CCS(=O)(=O)C1 ZINC000006113965 193879648 /nfs/dbraw/zinc/87/96/48/193879648.db2.gz RWGXKNDZSFKDEH-GJZGRUSLSA-N 0 0 427.588 2.701 50 0 IFAARN COCCn1c2ccccc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000006147884 193884743 /nfs/dbraw/zinc/88/47/43/193884743.db2.gz HIGPIFMNTPLTMV-UHFFFAOYSA-N 0 0 448.570 2.664 50 0 IFAARN Cc1ccc(N(C)C(=O)Cn2c3ccc(S(=O)(=O)N4CCCCC4)cc3oc2=O)cc1 ZINC000009830626 193897663 /nfs/dbraw/zinc/89/76/63/193897663.db2.gz MCMIZGQQCIXDTQ-UHFFFAOYSA-N 0 0 443.525 2.741 50 0 IFAARN CNC(=O)c1ccc(N(Cc2ccccc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009860751 193910962 /nfs/dbraw/zinc/91/09/62/193910962.db2.gz FYXHJSUZDPBLHJ-QZTJIDSGSA-N 0 0 449.985 2.975 50 0 IFAARN O=C(NCCN1CCOCC1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000019773773 193918016 /nfs/dbraw/zinc/91/80/16/193918016.db2.gz GQEAYVKNOCSFBH-UHFFFAOYSA-N 0 0 445.445 2.576 50 0 IFAARN COc1cccc(N2CCN(Cc3nc(N)nc(Nc4cc(C)ccc4OC)n3)CC2)c1 ZINC000054274339 193929899 /nfs/dbraw/zinc/92/98/99/193929899.db2.gz DNFFDFRLHMXTOG-UHFFFAOYSA-N 0 0 435.532 2.845 50 0 IFAARN COc1ccc(Nc2nc(N)nc(CN3CCN(c4ccc(F)cc4)CC3)n2)c(OC)c1 ZINC000054274391 193929974 /nfs/dbraw/zinc/92/99/74/193929974.db2.gz XQFIHQSTMOYOTR-UHFFFAOYSA-N 0 0 439.495 2.676 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccnc1)NCC(c1ccccc1)c1ccccc1 ZINC000055100189 193936420 /nfs/dbraw/zinc/93/64/20/193936420.db2.gz CXGCLKYYCZDQBL-DEOSSOPVSA-N 0 0 428.536 2.720 50 0 IFAARN Cc1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000009056594 132226422 /nfs/dbraw/zinc/22/64/22/132226422.db2.gz KWYQMLSZLIUTER-UHFFFAOYSA-N 0 0 443.569 2.838 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000000702914 132229457 /nfs/dbraw/zinc/22/94/57/132229457.db2.gz PTGCCLZAJWWHRK-UHFFFAOYSA-N 0 0 431.533 2.963 50 0 IFAARN O=C(N[C@@H](n1cnc2c1ncnc2N1CCOCC1)C(Cl)(Cl)Cl)c1ccco1 ZINC000000716842 132229579 /nfs/dbraw/zinc/22/95/79/132229579.db2.gz PABJAEBQPNZCMU-HNNXBMFYSA-N 0 0 445.694 2.555 50 0 IFAARN COc1ccccc1N1C[C@@H](C)Cn2c3c(nc21)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000009518787 132232583 /nfs/dbraw/zinc/23/25/83/132232583.db2.gz SCALLXTYXRANRR-OAHLLOKOSA-N 0 0 449.486 2.881 50 0 IFAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000009382966 132233827 /nfs/dbraw/zinc/23/38/27/132233827.db2.gz MCHYAKKYLAMVRM-UHFFFAOYSA-N 0 0 445.552 2.711 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2o1 ZINC000009569848 132235050 /nfs/dbraw/zinc/23/50/50/132235050.db2.gz BSYIRRUYDLFRIH-UHFFFAOYSA-N 0 0 447.944 2.968 50 0 IFAARN CCCCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000009570205 132235850 /nfs/dbraw/zinc/23/58/50/132235850.db2.gz CWXBLAIRNDZMTB-UHFFFAOYSA-N 0 0 445.585 2.747 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000001156408 132237875 /nfs/dbraw/zinc/23/78/75/132237875.db2.gz XBHXSZDRDOUEAT-UHFFFAOYSA-N 0 0 427.570 2.745 50 0 IFAARN O=C(c1c(F)cccc1F)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000009849250 132241681 /nfs/dbraw/zinc/24/16/81/132241681.db2.gz RPCDICAGCYGTDW-UHFFFAOYSA-N 0 0 439.401 2.590 50 0 IFAARN COc1cccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000009850809 132242084 /nfs/dbraw/zinc/24/20/84/132242084.db2.gz UNSQLOODMMGVJU-UHFFFAOYSA-N 0 0 449.902 2.835 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000009851362 132242275 /nfs/dbraw/zinc/24/22/75/132242275.db2.gz CNWAACFJIFSTDS-UHFFFAOYSA-N 0 0 447.474 2.711 50 0 IFAARN CCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1 ZINC000010221052 132243946 /nfs/dbraw/zinc/24/39/46/132243946.db2.gz RMHFJTAPMAAXBJ-UHFFFAOYSA-N 0 0 425.558 2.987 50 0 IFAARN CCCCCCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000001841715 132247403 /nfs/dbraw/zinc/24/74/03/132247403.db2.gz HJMLXIPJQNYLGM-UHFFFAOYSA-N 0 0 444.967 2.984 50 0 IFAARN Cc1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(N)(=O)=O)cc3)C2=O)n1 ZINC000002204117 132248854 /nfs/dbraw/zinc/24/88/54/132248854.db2.gz GKXHFPAYSFVCGW-UYRXBGFRSA-N 0 0 434.477 2.677 50 0 IFAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000002391479 132253561 /nfs/dbraw/zinc/25/35/61/132253561.db2.gz FOZWJHMEPVDZFK-GOSISDBHSA-N 0 0 431.533 2.575 50 0 IFAARN O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000002467727 132254703 /nfs/dbraw/zinc/25/47/03/132254703.db2.gz JZVQXKRTPJOJHS-MRXNPFEDSA-N 0 0 437.562 2.637 50 0 IFAARN O=C(Nc1ccccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000002630778 132255536 /nfs/dbraw/zinc/25/55/36/132255536.db2.gz XZIKMSNBVYTEOW-UHFFFAOYSA-N 0 0 447.532 2.702 50 0 IFAARN Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000002700578 132256301 /nfs/dbraw/zinc/25/63/01/132256301.db2.gz JOCBTIIRYRXEJN-UHFFFAOYSA-N 0 0 431.533 2.881 50 0 IFAARN O=C(c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F)N1CCN(c2ncccn2)CC1 ZINC000002774798 132257137 /nfs/dbraw/zinc/25/71/37/132257137.db2.gz VMFBYGMXDSKSMZ-UHFFFAOYSA-N 0 0 443.389 2.761 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)CCC3=NS(=O)(=O)c4ccccc4N3)CC2)c1 ZINC000002960279 132259561 /nfs/dbraw/zinc/25/95/61/132259561.db2.gz WVVIOBTZEAJUFM-UHFFFAOYSA-N 0 0 426.542 2.945 50 0 IFAARN COCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21 ZINC000003036012 132260814 /nfs/dbraw/zinc/26/08/14/132260814.db2.gz QKCHBSRSPUXZDH-LDADJPATSA-N 0 0 431.286 2.978 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3OC)CC2)c1 ZINC000003173680 132262017 /nfs/dbraw/zinc/26/20/17/132262017.db2.gz LWWBEWNIDTZFIF-UHFFFAOYSA-N 0 0 431.558 2.688 50 0 IFAARN O=C(COC(=O)c1cc(Br)ccc1O)Nc1ccc(N2CCOCC2)cc1 ZINC000003239445 132262763 /nfs/dbraw/zinc/26/27/63/132262763.db2.gz BTSGMVHLVIDPJT-UHFFFAOYSA-N 0 0 435.274 2.787 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ccccn2)CC1 ZINC000003366390 132264648 /nfs/dbraw/zinc/26/46/48/132264648.db2.gz DNYOWORTIJGFOF-UHFFFAOYSA-N 0 0 448.548 2.795 50 0 IFAARN O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000003493258 132265778 /nfs/dbraw/zinc/26/57/78/132265778.db2.gz CRZOHRJYTJDMKZ-UHFFFAOYSA-N 0 0 430.921 2.883 50 0 IFAARN O=C([C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 ZINC000004762751 132273623 /nfs/dbraw/zinc/27/36/23/132273623.db2.gz WVCKHCFMKROGJN-OAQYLSRUSA-N 0 0 449.523 2.857 50 0 IFAARN O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)NCCc1ccccc1F ZINC000007252376 132280426 /nfs/dbraw/zinc/28/04/26/132280426.db2.gz UKLVICABWBHVKL-JOCHJYFZSA-N 0 0 425.504 2.765 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000008112531 132280946 /nfs/dbraw/zinc/28/09/46/132280946.db2.gz KXOLDTIXQTZHSX-UHFFFAOYSA-N 0 0 427.570 2.753 50 0 IFAARN Cc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccccc4)s3)CC2)cc1 ZINC000008587951 132282819 /nfs/dbraw/zinc/28/28/19/132282819.db2.gz HMGKZWNQRZWZPZ-UHFFFAOYSA-N 0 0 443.554 2.610 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CS(=O)(=O)c3cccc4nsnc43)C[C@@H]2C)c1 ZINC000008600677 132286294 /nfs/dbraw/zinc/28/62/94/132286294.db2.gz BKDHIUAFFFDBTM-HNNXBMFYSA-N 0 0 430.555 2.511 50 0 IFAARN O=c1cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)n1-c1cccc(Br)c1 ZINC000008601178 132286582 /nfs/dbraw/zinc/28/65/82/132286582.db2.gz PDYVMKZQXWTVSE-UHFFFAOYSA-N 0 0 445.292 2.754 50 0 IFAARN COc1cc(CNC(=O)c2ccc3c(c2)N(C)C(=O)[C@@H]2CCCCN32)cc(OC)c1OC ZINC000008609706 132287800 /nfs/dbraw/zinc/28/78/00/132287800.db2.gz RTWRHDCTTRWDIP-SFHVURJKSA-N 0 0 439.512 2.978 50 0 IFAARN NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1cccc(F)c1)S2(=O)=O ZINC000008619425 132288859 /nfs/dbraw/zinc/28/88/59/132288859.db2.gz USIGHDDPNVJJBB-UHFFFAOYSA-N 0 0 430.486 2.569 50 0 IFAARN O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008809300 132294464 /nfs/dbraw/zinc/29/44/64/132294464.db2.gz TWUYACBTYMQGRJ-UHFFFAOYSA-N 0 0 448.494 2.954 50 0 IFAARN Cc1cc(N2CCN(CC(=O)Nc3ccccc3C(=O)NC3CC3)CC2)nc(C(C)C)n1 ZINC000008897346 132297156 /nfs/dbraw/zinc/29/71/56/132297156.db2.gz QATVZJCEEYKEOE-UHFFFAOYSA-N 0 0 436.560 2.561 50 0 IFAARN O=C(Cn1nnc(-c2cccs2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009111702 132303161 /nfs/dbraw/zinc/30/31/61/132303161.db2.gz NQKPKTKAKZJRKD-UHFFFAOYSA-N 0 0 438.435 2.896 50 0 IFAARN NC(=O)[C@H]1CN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)c2ccccc2O1 ZINC000009126794 132305369 /nfs/dbraw/zinc/30/53/69/132305369.db2.gz UGEGDHDUDUBBTJ-JOCHJYFZSA-N 0 0 442.475 2.895 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1NC(=O)c1ccco1 ZINC000009129444 132305573 /nfs/dbraw/zinc/30/55/73/132305573.db2.gz MABPAAZKWRHDOW-UHFFFAOYSA-N 0 0 433.420 2.982 50 0 IFAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)cc21 ZINC000009153241 132307058 /nfs/dbraw/zinc/30/70/58/132307058.db2.gz SCSDBYUUQDUFHT-UHFFFAOYSA-N 0 0 446.550 2.978 50 0 IFAARN COc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2)c4=O)cc1 ZINC000009160504 132307398 /nfs/dbraw/zinc/30/73/98/132307398.db2.gz ZHBOMHNEPYIMJC-INIZCTEOSA-N 0 0 431.496 2.741 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000009204547 132308372 /nfs/dbraw/zinc/30/83/72/132308372.db2.gz BVKQWDNAEDGKRA-SFHVURJKSA-N 0 0 449.555 2.830 50 0 IFAARN Cc1cccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)NC4CCCC4)cc32)c1 ZINC000009211475 132309219 /nfs/dbraw/zinc/30/92/19/132309219.db2.gz ZIQPLAHPACKKHX-UHFFFAOYSA-N 0 0 443.525 2.580 50 0 IFAARN CCc1nnc(NC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)s1 ZINC000009211272 132309222 /nfs/dbraw/zinc/30/92/22/132309222.db2.gz CVZDXTKOLRLYDN-UHFFFAOYSA-N 0 0 426.550 2.822 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)C[C@@H]2C)c1 ZINC000009229047 132310118 /nfs/dbraw/zinc/31/01/18/132310118.db2.gz TVECCYPYQCODIG-HNNXBMFYSA-N 0 0 430.555 2.706 50 0 IFAARN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCN(c2ncccn2)CC1 ZINC000009268796 132312103 /nfs/dbraw/zinc/31/21/03/132312103.db2.gz OGHLVFLXOKAPEO-UHFFFAOYSA-N 0 0 445.448 2.723 50 0 IFAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3F)cc21 ZINC000009274126 132312218 /nfs/dbraw/zinc/31/22/18/132312218.db2.gz IHHUSDQZIPSWOS-UHFFFAOYSA-N 0 0 444.893 2.892 50 0 IFAARN COc1cccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccc(F)cc2)c4=O)c1 ZINC000009282324 132312240 /nfs/dbraw/zinc/31/22/40/132312240.db2.gz QOYBWXUSTBFNHQ-OAHLLOKOSA-N 0 0 449.486 2.881 50 0 IFAARN Cc1cc(=O)n2c(n1)NC(N1CCN(c3cccc(Cl)c3)CC1)=N[C@@H]2c1cccnc1 ZINC000009422486 132316527 /nfs/dbraw/zinc/31/65/27/132316527.db2.gz UPVFYRHVRHXCBE-FQEVSTJZSA-N 0 0 435.919 2.751 50 0 IFAARN O=C(NCc1nc(-c2ccccc2)no1)C1CCN(c2nc(Cl)nc3nc[nH]c32)CC1 ZINC000009421720 132316550 /nfs/dbraw/zinc/31/65/50/132316550.db2.gz ADNIVLQXYMOWBP-UHFFFAOYSA-N 0 0 438.879 2.589 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C(=O)N1CCCC1 ZINC000009426085 132316708 /nfs/dbraw/zinc/31/67/08/132316708.db2.gz YUQCJDXDNPIWDZ-UHFFFAOYSA-N 0 0 447.532 2.581 50 0 IFAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000009491220 132319236 /nfs/dbraw/zinc/31/92/36/132319236.db2.gz ZOQVUYREMBHIIE-UHFFFAOYSA-N 0 0 434.899 2.825 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCNC(=O)c1ccco1 ZINC000009509412 132319838 /nfs/dbraw/zinc/31/98/38/132319838.db2.gz VVAUILDEVUUJQN-UHFFFAOYSA-N 0 0 431.489 2.672 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(N3CCCCC3)c(NS(C)(=O)=O)c2)cc1 ZINC000009514609 132320077 /nfs/dbraw/zinc/32/00/77/132320077.db2.gz YDCYUACMLTZPFE-UHFFFAOYSA-N 0 0 439.559 2.858 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1 ZINC000009529563 132320618 /nfs/dbraw/zinc/32/06/18/132320618.db2.gz QUBFAOJXFZHISA-UHFFFAOYSA-N 0 0 426.498 2.790 50 0 IFAARN O=C(COCC(=O)N1CCc2ccccc2C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009601119 132322906 /nfs/dbraw/zinc/32/29/06/132322906.db2.gz PJCGVOQODUEEKY-UHFFFAOYSA-N 0 0 427.932 2.590 50 0 IFAARN CCN1c2ccc(S(=O)(=O)N(C)C)cc2N[C@@H](CC(=O)Nc2ccc(C)cc2C)C1=O ZINC000009631449 132323942 /nfs/dbraw/zinc/32/39/42/132323942.db2.gz TXBFVGJBXONMQM-IBGZPJMESA-N 0 0 444.557 2.730 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3nc4cc(C)nn4c4ccccc43)CC2)cc1 ZINC000009632971 132323977 /nfs/dbraw/zinc/32/39/77/132323977.db2.gz MJJAKGPFNZAHTC-UHFFFAOYSA-N 0 0 437.525 2.710 50 0 IFAARN COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000009645854 132324782 /nfs/dbraw/zinc/32/47/82/132324782.db2.gz CVQBHOYALNWOEE-UHFFFAOYSA-N 0 0 444.538 2.503 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)Nc3ccc(N4CCOCC4)cc3)c(C)n2n1 ZINC000009670871 132325078 /nfs/dbraw/zinc/32/50/78/132325078.db2.gz BNOZGNPOULUHGQ-UHFFFAOYSA-N 0 0 426.546 2.871 50 0 IFAARN O=C(CSc1nnc(CNC(=O)c2cccs2)o1)N1CCN(c2ccccc2)CC1 ZINC000009673951 132325414 /nfs/dbraw/zinc/32/54/14/132325414.db2.gz IGKZRWNUJKDIAV-UHFFFAOYSA-N 0 0 443.554 2.502 50 0 IFAARN Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c(C)n1C ZINC000009684838 132325831 /nfs/dbraw/zinc/32/58/31/132325831.db2.gz BILHXPZWXPPYAE-UHFFFAOYSA-N 0 0 448.564 2.528 50 0 IFAARN CC(=O)N1C[C@@H](C(=O)NCC(=O)Nc2ccc(Br)cc2C)Oc2ccccc21 ZINC000009690985 132325945 /nfs/dbraw/zinc/32/59/45/132325945.db2.gz AOTVWVXGRLCNRD-SFHVURJKSA-N 0 0 446.301 2.626 50 0 IFAARN NC(=O)c1ccc(-c2nnn(CC(=O)N3c4ccccc4OC[C@@H]3c3ccccc3)n2)cc1 ZINC000009723796 132327698 /nfs/dbraw/zinc/32/76/98/132327698.db2.gz BTKJTMYSAHMRIM-HXUWFJFHSA-N 0 0 440.463 2.606 50 0 IFAARN O=C(CCc1nnc2ccc(NCc3ccco3)nn21)N1CCN(c2ccc(F)cc2)CC1 ZINC000009744425 132328193 /nfs/dbraw/zinc/32/81/93/132328193.db2.gz XYAOVRRIKAKAPR-UHFFFAOYSA-N 0 0 449.490 2.750 50 0 IFAARN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009836867 132329849 /nfs/dbraw/zinc/32/98/49/132329849.db2.gz GNPDIEKQEPJICZ-HXUWFJFHSA-N 0 0 442.604 2.965 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009836866 132329860 /nfs/dbraw/zinc/32/98/60/132329860.db2.gz GNPDIEKQEPJICZ-FQEVSTJZSA-N 0 0 442.604 2.965 50 0 IFAARN Cc1nn(CCCC(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc3sccc3n21 ZINC000009848591 132330091 /nfs/dbraw/zinc/33/00/91/132330091.db2.gz DHZBISBICAKVGP-UHFFFAOYSA-N 0 0 436.541 2.543 50 0 IFAARN CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)COc2cccc(C)c2)c1 ZINC000009906196 132331034 /nfs/dbraw/zinc/33/10/34/132331034.db2.gz WIASMQZYAKCPKR-UHFFFAOYSA-N 0 0 439.512 2.858 50 0 IFAARN CCOC(=O)N1CCN(c2ncc3c(n2)C[C@H](c2ccc(OC)cc2OC)CC3=O)CC1 ZINC000009939275 132332450 /nfs/dbraw/zinc/33/24/50/132332450.db2.gz QGPWDXWANNDABS-HNNXBMFYSA-N 0 0 440.500 2.685 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O ZINC000009992350 132333597 /nfs/dbraw/zinc/33/35/97/132333597.db2.gz NTYLVPDNSZXZDL-XMMPIXPASA-N 0 0 435.480 2.594 50 0 IFAARN CS(=O)(=O)NC1CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)CC1 ZINC000010044535 132334247 /nfs/dbraw/zinc/33/42/47/132334247.db2.gz PAXBTAOZKSGYFN-UHFFFAOYSA-N 0 0 429.571 2.760 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)ccc1OC ZINC000010900035 132336656 /nfs/dbraw/zinc/33/66/56/132336656.db2.gz WWDUBWYIAYFADN-UHFFFAOYSA-N 0 0 431.558 2.866 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3ccc(Nc4cc(C)ccn4)nn3)CC2)cc1OC ZINC000011696883 132338852 /nfs/dbraw/zinc/33/88/52/132338852.db2.gz QYADINUORWEBCW-UHFFFAOYSA-N 0 0 434.500 2.903 50 0 IFAARN O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CCN(c2ncccn2)CC1 ZINC000011763515 132339360 /nfs/dbraw/zinc/33/93/60/132339360.db2.gz OOGBBEYSTWKWNE-UHFFFAOYSA-N 0 0 425.496 2.668 50 0 IFAARN COC(=O)C1CCN(c2nc(CN3CCSCC3)nc3cc(OC)c(OC)cc32)CC1 ZINC000011782753 132339545 /nfs/dbraw/zinc/33/95/45/132339545.db2.gz NMNDDDORHXSTSI-UHFFFAOYSA-N 0 0 446.573 2.585 50 0 IFAARN O=C(CSCc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000011796086 132340177 /nfs/dbraw/zinc/34/01/77/132340177.db2.gz SKTJQXBHRYTDMZ-UHFFFAOYSA-N 0 0 447.626 2.578 50 0 IFAARN O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000012976993 132341108 /nfs/dbraw/zinc/34/11/08/132341108.db2.gz RVJAXJAPQVEPFO-JOCHJYFZSA-N 0 0 439.523 2.910 50 0 IFAARN O=C(NC[C@@H]1C[C@@H]2c3ccccc3CCN2O1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000012961088 132341142 /nfs/dbraw/zinc/34/11/42/132341142.db2.gz RSPLRIXLWYQLRT-PKOBYXMFSA-N 0 0 427.936 2.766 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1OC ZINC000013008958 132342087 /nfs/dbraw/zinc/34/20/87/132342087.db2.gz CPFSBVCMCKUCSB-UHFFFAOYSA-N 0 0 436.516 2.567 50 0 IFAARN NC(=O)C1CCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)CC1 ZINC000013117602 132345128 /nfs/dbraw/zinc/34/51/28/132345128.db2.gz RGAUOSRUVOFWGI-UHFFFAOYSA-N 0 0 443.598 2.954 50 0 IFAARN CCS(=O)(=O)N1CCCc2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc21 ZINC000013610488 132351828 /nfs/dbraw/zinc/35/18/28/132351828.db2.gz GNLZFAUHBITJDP-UHFFFAOYSA-N 0 0 443.569 2.760 50 0 IFAARN C[C@H](Oc1ccccc1F)C(=O)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 ZINC000013700729 132353776 /nfs/dbraw/zinc/35/37/76/132353776.db2.gz VWQLFZGCNBAKNW-HNNXBMFYSA-N 0 0 436.447 2.640 50 0 IFAARN C[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 ZINC000013700728 132353778 /nfs/dbraw/zinc/35/37/78/132353778.db2.gz VWQLFZGCNBAKNW-OAHLLOKOSA-N 0 0 436.447 2.640 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1C ZINC000012893952 518230169 /nfs/dbraw/zinc/23/01/69/518230169.db2.gz QYWDZMVWNNBQOV-OAHLLOKOSA-N 0 0 432.498 2.802 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)CCn3nc(-c4ccccc4)ccc3=O)CC2)cc1 ZINC000041251831 518346350 /nfs/dbraw/zinc/34/63/50/518346350.db2.gz LEDHUBWQGSJSBZ-UHFFFAOYSA-N 0 0 430.508 2.852 50 0 IFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)cc1 ZINC000020487272 518350593 /nfs/dbraw/zinc/35/05/93/518350593.db2.gz RGECGJWBBSPINC-UHFFFAOYSA-N 0 0 441.553 2.654 50 0 IFAARN CC(=O)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000022790341 518359961 /nfs/dbraw/zinc/35/99/61/518359961.db2.gz VNESRLLIBDJOIR-UHFFFAOYSA-N 0 0 428.920 2.737 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 ZINC000012523561 518405330 /nfs/dbraw/zinc/40/53/30/518405330.db2.gz JQUVKYOSMBHZIM-UHFFFAOYSA-N 0 0 437.521 2.827 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)c1 ZINC000012753788 518458021 /nfs/dbraw/zinc/45/80/21/518458021.db2.gz PZCFZNBECZWXJA-QFIPXVFZSA-N 0 0 426.538 2.842 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc43)CC2)c1 ZINC000012763019 518458906 /nfs/dbraw/zinc/45/89/06/518458906.db2.gz SZPYFDVORBQFBT-UHFFFAOYSA-N 0 0 425.510 2.826 50 0 IFAARN CC(=O)c1ccccc1OCCSc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C ZINC000012592541 518476616 /nfs/dbraw/zinc/47/66/16/518476616.db2.gz NCWPCOMNHWPYLI-UHFFFAOYSA-N 0 0 442.541 2.828 50 0 IFAARN CC(C)(C)OC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000016207917 518795582 /nfs/dbraw/zinc/79/55/82/518795582.db2.gz PYZRVFNQRZETQR-UHFFFAOYSA-N 0 0 431.510 2.932 50 0 IFAARN CC(C)C[C@H]1C(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)C[C@@H]2C(=O)N1C ZINC000014537191 519401285 /nfs/dbraw/zinc/40/12/85/519401285.db2.gz BSUFPVOVPZFPOP-RBUKOAKNSA-N 0 0 430.549 2.849 50 0 IFAARN CC(C)=C[C@H]1[C@H](C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1(C)C ZINC000012849466 519446407 /nfs/dbraw/zinc/44/64/07/519446407.db2.gz PAUWUTPQRXWWKD-RBUKOAKNSA-N 0 0 433.574 2.750 50 0 IFAARN CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012568627 519485941 /nfs/dbraw/zinc/48/59/41/519485941.db2.gz QNSRRHZTNDENHX-XSXQVXRUSA-N 0 0 433.622 2.918 50 0 IFAARN CC(C)Cn1c(S[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1-c1ccco1 ZINC000012855939 519489440 /nfs/dbraw/zinc/48/94/40/519489440.db2.gz KTDUGYKLQBRVBQ-ZDUSSCGKSA-N 0 0 449.558 2.961 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H]3c3nnc4ccccn43)ccc21 ZINC000012854739 519563597 /nfs/dbraw/zinc/56/35/97/519563597.db2.gz WXHWRBUYIGGULS-IBGZPJMESA-N 0 0 425.514 2.554 50 0 IFAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3cc(C)ccc3C)cc2)CC1 ZINC000022585942 519588425 /nfs/dbraw/zinc/58/84/25/519588425.db2.gz ZQHMMRWJABKJIV-GOSISDBHSA-N 0 0 443.569 2.647 50 0 IFAARN CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cccnc2)cn3C2CC2)CC1 ZINC000012379421 519593256 /nfs/dbraw/zinc/59/32/56/519593256.db2.gz VZZIMXZKTDQZQH-UHFFFAOYSA-N 0 0 449.486 2.791 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(S(C)(=O)=O)ccc3C)ccc21 ZINC000016119689 519631459 /nfs/dbraw/zinc/63/14/59/519631459.db2.gz KJAQENXKIYNLFQ-CQSZACIVSA-N 0 0 429.494 2.736 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)c1 ZINC000022525534 519632567 /nfs/dbraw/zinc/63/25/67/519632567.db2.gz KPVXOJCKDJSQRO-QGZVFWFLSA-N 0 0 432.542 2.919 50 0 IFAARN CC(=O)N1C[C@@H](C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)Oc2ccccc21 ZINC000021630901 519634950 /nfs/dbraw/zinc/63/49/50/519634950.db2.gz FQFKMHXJPOWPOX-FQEVSTJZSA-N 0 0 449.463 2.658 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NC1CCCCCC1 ZINC000015775500 519638817 /nfs/dbraw/zinc/63/88/17/519638817.db2.gz ABNQAFIKHSNONT-OAQYLSRUSA-N 0 0 433.574 2.588 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)Nc1ccccc1F ZINC000021022846 519639282 /nfs/dbraw/zinc/63/92/82/519639282.db2.gz AIDNUBHLAFPLNU-NRFANRHFSA-N 0 0 445.516 2.917 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3cccc(C)c3C)cc2C[C@@H]1C ZINC000020529402 519639641 /nfs/dbraw/zinc/63/96/41/519639641.db2.gz BAZIKXRMQPZHKB-HNNXBMFYSA-N 0 0 429.542 2.908 50 0 IFAARN CC(=O)NCCCCCC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000012854612 519655373 /nfs/dbraw/zinc/65/53/73/519655373.db2.gz RCICBMHKJBOUHQ-UHFFFAOYSA-N 0 0 433.940 2.731 50 0 IFAARN CC(C)CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2I)C1=O ZINC000016046321 519696086 /nfs/dbraw/zinc/69/60/86/519696086.db2.gz DOKSOOSMUDEVLV-KRWDZBQOSA-N 0 0 443.285 2.976 50 0 IFAARN CC(C)CN(C(=O)CN1c2ccccc2CC[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012608791 519705105 /nfs/dbraw/zinc/70/51/05/519705105.db2.gz WVPOGDDERSZDQV-KRWDZBQOSA-N 0 0 441.576 2.605 50 0 IFAARN CC(C)NC(=O)N1CCN(c2ccc(NC(=O)C3CC3)cc2C(=O)N2CCCC2)CC1 ZINC000035992527 519710857 /nfs/dbraw/zinc/71/08/57/519710857.db2.gz PDYWIELWDPWAAG-UHFFFAOYSA-N 0 0 427.549 2.511 50 0 IFAARN CC(=O)Nc1ccc(N2C(=O)c3cc(C)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000035477345 519721174 /nfs/dbraw/zinc/72/11/74/519721174.db2.gz QYZLRALSFGJNLM-XMMPIXPASA-N 0 0 431.496 2.885 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc32)cc1 ZINC000020486061 519721354 /nfs/dbraw/zinc/72/13/54/519721354.db2.gz NTYHCZMVUIDFRK-QHCPKHFHSA-N 0 0 443.507 2.899 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000021129495 519724251 /nfs/dbraw/zinc/72/42/51/519724251.db2.gz QMNIUPSMFUTHJE-UKRRQHHQSA-N 0 0 427.432 2.707 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000012813586 519730705 /nfs/dbraw/zinc/73/07/05/519730705.db2.gz KVMYFGDCAGPBRK-UHFFFAOYSA-N 0 0 449.960 2.810 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000020976797 519730810 /nfs/dbraw/zinc/73/08/10/519730810.db2.gz LHBDAYQCCUEYJE-UHFFFAOYSA-N 0 0 446.525 2.647 50 0 IFAARN CC(C)CNC(=O)[C@@H](C(C)C)N1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2C ZINC000035964714 519738481 /nfs/dbraw/zinc/73/84/81/519738481.db2.gz CJTPNBMWGIKXJA-RTBURBONSA-N 0 0 432.952 2.929 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)cc1 ZINC000021722978 519779445 /nfs/dbraw/zinc/77/94/45/519779445.db2.gz YQPGPASRTRKUMU-UHFFFAOYSA-N 0 0 444.491 2.651 50 0 IFAARN CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000022865416 519820487 /nfs/dbraw/zinc/82/04/87/519820487.db2.gz CTUZHOHERIGOAQ-SFHVURJKSA-N 0 0 435.571 2.926 50 0 IFAARN CCCC(=O)N1CCc2c(c(C(=O)NCc3ccc(OC)cc3)nn2Cc2ccccn2)C1 ZINC000014538340 519869693 /nfs/dbraw/zinc/86/96/93/519869693.db2.gz QOIBHIVNFASXHI-UHFFFAOYSA-N 0 0 447.539 2.950 50 0 IFAARN CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)C1 ZINC000035555847 519896130 /nfs/dbraw/zinc/89/61/30/519896130.db2.gz YWEJBUOHFJUSKL-AWEZNQCLSA-N 0 0 438.575 2.911 50 0 IFAARN CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1 ZINC000021712905 519896936 /nfs/dbraw/zinc/89/69/36/519896936.db2.gz YITKOEHNJAFHNY-LJQANCHMSA-N 0 0 429.542 2.927 50 0 IFAARN CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NC[C@H]2CCc3ccccc3O2)c1=O ZINC000012133140 519902081 /nfs/dbraw/zinc/90/20/81/519902081.db2.gz QPHBAGOIXXGJJE-HXUWFJFHSA-N 0 0 445.519 2.770 50 0 IFAARN CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1C ZINC000012764871 519912997 /nfs/dbraw/zinc/91/29/97/519912997.db2.gz PJZISLVWOFSUEG-UHFFFAOYSA-N 0 0 441.597 2.843 50 0 IFAARN CCN(C(=O)[C@H](C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@@H]1CCS(=O)(=O)C1 ZINC000012847418 520041298 /nfs/dbraw/zinc/04/12/98/520041298.db2.gz AJRMNFKVAOTOAJ-GOEBONIOSA-N 0 0 432.542 2.628 50 0 IFAARN CCNS(=O)(=O)c1ccc(C)c(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)c1 ZINC000021371014 520051559 /nfs/dbraw/zinc/05/15/59/520051559.db2.gz XOONQTUCBLDLFI-UHFFFAOYSA-N 0 0 431.466 2.765 50 0 IFAARN CC(C)n1cnn(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1=S ZINC000012908017 520054428 /nfs/dbraw/zinc/05/44/28/520054428.db2.gz LECSIPQMMXPVBG-UHFFFAOYSA-N 0 0 433.962 2.751 50 0 IFAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000012769310 520079662 /nfs/dbraw/zinc/07/96/62/520079662.db2.gz DFGITRSBUONLFI-UHFFFAOYSA-N 0 0 438.576 2.660 50 0 IFAARN CCCNc1nnc(SCC(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)s1 ZINC000022024814 520199995 /nfs/dbraw/zinc/19/99/95/520199995.db2.gz FGTIWDMRPFHRJB-UHFFFAOYSA-N 0 0 439.582 2.944 50 0 IFAARN CC1(C(=O)NCc2ccc3c(c2)OCO3)CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000035531363 520227010 /nfs/dbraw/zinc/22/70/10/520227010.db2.gz YXUPOCFZIAUCCK-UHFFFAOYSA-N 0 0 434.489 2.662 50 0 IFAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)cc2O1 ZINC000020622760 520274460 /nfs/dbraw/zinc/27/44/60/520274460.db2.gz BCABVRCAODTOFP-UHFFFAOYSA-N 0 0 440.496 2.986 50 0 IFAARN CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1I ZINC000012650811 520442220 /nfs/dbraw/zinc/44/22/20/520442220.db2.gz TWERYBUSSGPRFX-CQSZACIVSA-N 0 0 429.327 2.952 50 0 IFAARN CCN(CC)C(=O)CN1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000012860090 520482267 /nfs/dbraw/zinc/48/22/67/520482267.db2.gz HDOKTFVJURNIIY-UHFFFAOYSA-N 0 0 428.558 2.627 50 0 IFAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012412560 520492140 /nfs/dbraw/zinc/49/21/40/520492140.db2.gz KMVRJCZGOYFDCE-LJQANCHMSA-N 0 0 430.482 2.954 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccccc2C)[C@@](C)(C(=O)NC2CCCCCC2)C1 ZINC000021528480 520516743 /nfs/dbraw/zinc/51/67/43/520516743.db2.gz ZGFNEVPFQWMYES-HSZRJFAPSA-N 0 0 449.617 2.981 50 0 IFAARN CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000035991722 520516808 /nfs/dbraw/zinc/51/68/08/520516808.db2.gz UEAGSTRNUMOIDF-QGZVFWFLSA-N 0 0 427.423 2.551 50 0 IFAARN CCOC(=O)C1=C(COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)NC(=O)N[C@@H]1c1ccccc1 ZINC000012695169 520519114 /nfs/dbraw/zinc/51/91/14/520519114.db2.gz IIIXHIULNZEWBX-YUBNGQEKSA-N 0 0 440.496 2.796 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)NC(=O)N[C@H]1C ZINC000012639392 520521447 /nfs/dbraw/zinc/52/14/47/520521447.db2.gz WCNMZWWKMUPAIB-NSHDSACASA-N 0 0 432.864 2.509 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(COc3ccc(F)cc3)o2)NC(=O)N[C@H]1C ZINC000024463060 520522669 /nfs/dbraw/zinc/52/26/69/520522669.db2.gz QLPRXWYTXDKVKE-LBPRGKRZSA-N 0 0 432.404 2.673 50 0 IFAARN CCN(CC)C(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCN(C(=O)C2CC2)CC1 ZINC000036005831 520544515 /nfs/dbraw/zinc/54/45/15/520544515.db2.gz PYNGRKQRYIFTOR-UHFFFAOYSA-N 0 0 426.561 2.966 50 0 IFAARN CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)c3cccc(OC)c3OC)CC2)nn1 ZINC000244723477 520564132 /nfs/dbraw/zinc/56/41/32/520564132.db2.gz MCIXJZPQZQIMOX-IYBDPMFKSA-N 0 0 429.521 2.691 50 0 IFAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)CC1 ZINC000015943274 520579981 /nfs/dbraw/zinc/57/99/81/520579981.db2.gz UVJAGDHMIJGBSO-HNNXBMFYSA-N 0 0 434.558 2.728 50 0 IFAARN CCCCNC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000022928613 520618445 /nfs/dbraw/zinc/61/84/45/520618445.db2.gz BOHDIEASYWINJT-UHFFFAOYSA-N 0 0 434.890 2.831 50 0 IFAARN CCOc1cc(C(=O)OCc2ccc(C(N)=O)cc2)ccc1OCC(=O)N1CCCCC1 ZINC000016116430 520672562 /nfs/dbraw/zinc/67/25/62/520672562.db2.gz RLFWKEQVRBXWKW-UHFFFAOYSA-N 0 0 440.496 2.933 50 0 IFAARN CCCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000009730927 520690379 /nfs/dbraw/zinc/69/03/79/520690379.db2.gz DDYODXXSBBSTNM-UHFFFAOYSA-N 0 0 433.574 2.972 50 0 IFAARN CCOc1cc(N2CCN(S(=O)(=O)c3ccc4cccc5c4c3CC5)CC2)nc(C)n1 ZINC000012224622 520750284 /nfs/dbraw/zinc/75/02/84/520750284.db2.gz KZCUNSPAOOTZAR-UHFFFAOYSA-N 0 0 438.553 2.946 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2n[nH]c3ccccc32)ccc1C ZINC000012548288 520785422 /nfs/dbraw/zinc/78/54/22/520785422.db2.gz ZHEVVNMNZNAJOJ-UHFFFAOYSA-N 0 0 444.513 2.697 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)OCC(=O)N(C)c2ccccc2)cc1 ZINC000034869432 520786997 /nfs/dbraw/zinc/78/69/97/520786997.db2.gz FTFAGDLBJZTSFZ-SSZFMOIBSA-N 0 0 430.526 2.937 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 ZINC000022714366 520789730 /nfs/dbraw/zinc/78/97/30/520789730.db2.gz WUYLCUWNQJKIJY-UHFFFAOYSA-N 0 0 447.479 2.742 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2N2CCCC2=O)c1 ZINC000012770780 520805693 /nfs/dbraw/zinc/80/56/93/520805693.db2.gz JAYKUYADOMDNIT-UHFFFAOYSA-N 0 0 431.514 2.802 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NC1CCCCCC1)N2C(C)=O ZINC000021023542 520811844 /nfs/dbraw/zinc/81/18/44/520811844.db2.gz CDAVLJPMGSOARN-NRFANRHFSA-N 0 0 435.590 2.834 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NC1CCCCCC1)N2C(C)=O ZINC000021023535 520811905 /nfs/dbraw/zinc/81/19/05/520811905.db2.gz CDAVLJPMGSOARN-OAQYLSRUSA-N 0 0 435.590 2.834 50 0 IFAARN CCOc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)NCCc3ccccc3)n2)cc1 ZINC000021537518 520822081 /nfs/dbraw/zinc/82/20/81/520822081.db2.gz NASHZOQICAEWBI-UHFFFAOYSA-N 0 0 449.536 2.934 50 0 IFAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(F)c2)c2c(=O)n(C)c(=O)n(C)c2N1 ZINC000035532429 520827551 /nfs/dbraw/zinc/82/75/51/520827551.db2.gz GDXOWNYSUKGMOR-IBGZPJMESA-N 0 0 435.455 2.798 50 0 IFAARN CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3nonc3-c3ccc(OC)cc3)n2)cc1 ZINC000011915070 520837209 /nfs/dbraw/zinc/83/72/09/520837209.db2.gz ZNGFZKKYIPABBV-UHFFFAOYSA-N 0 0 433.424 2.942 50 0 IFAARN CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccc(OC)cc2)n1)c1ccccc1Cl ZINC000012413247 520840786 /nfs/dbraw/zinc/84/07/86/520840786.db2.gz FQIVGRFJCWFWOQ-GOSISDBHSA-N 0 0 443.891 2.813 50 0 IFAARN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(C)cc1 ZINC000012413183 520842333 /nfs/dbraw/zinc/84/23/33/520842333.db2.gz ZBIVJWRTTCXTRW-MRXNPFEDSA-N 0 0 434.539 2.881 50 0 IFAARN CCN(CC)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 ZINC000020767070 520914844 /nfs/dbraw/zinc/91/48/44/520914844.db2.gz WQHQNGJRGSTMMI-UHFFFAOYSA-N 0 0 441.551 2.867 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1 ZINC000012784786 520928480 /nfs/dbraw/zinc/92/84/80/520928480.db2.gz XURQMHMRJWVBJL-UHFFFAOYSA-N 0 0 449.504 2.977 50 0 IFAARN CCCCS(=O)(=O)N1CCN(c2nc3sc4c(c3c(=O)n2CC)CCCC4)CC1 ZINC000012408431 520929276 /nfs/dbraw/zinc/92/92/76/520929276.db2.gz PNHAOOLCIPVTIW-UHFFFAOYSA-N 0 0 438.619 2.609 50 0 IFAARN CC1CCC(NC(=O)CN2c3ccc(S(=O)(=O)N4CCCCC4)cc3CCC2=O)CC1 ZINC000021928190 520948217 /nfs/dbraw/zinc/94/82/17/520948217.db2.gz NCLAMBFHPHOEKR-UHFFFAOYSA-N 0 0 447.601 2.835 50 0 IFAARN CCOc1ccc(CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1OCC ZINC000012876691 520949286 /nfs/dbraw/zinc/94/92/86/520949286.db2.gz KVSZQISSSRTWJA-WAIKUNEKSA-N 0 0 431.533 2.643 50 0 IFAARN CCOc1ccc(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1OCC ZINC000012876697 520949709 /nfs/dbraw/zinc/94/97/09/520949709.db2.gz KVSZQISSSRTWJA-MWTRTKDXSA-N 0 0 431.533 2.643 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)CC1 ZINC000020768211 520951371 /nfs/dbraw/zinc/95/13/71/520951371.db2.gz NQVMCNGHOQRROI-UHFFFAOYSA-N 0 0 426.498 2.646 50 0 IFAARN CC1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)CC1 ZINC000033021551 520951341 /nfs/dbraw/zinc/95/13/41/520951341.db2.gz TXLPZYBQBWHSCW-YZUHTNEWSA-N 0 0 449.573 2.502 50 0 IFAARN CCOC(=O)N1CCN([C@H](c2ccccc2OC)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022696939 520959626 /nfs/dbraw/zinc/95/96/26/520959626.db2.gz BMBQCWGBHBFWPS-OAQYLSRUSA-N 0 0 429.517 2.754 50 0 IFAARN CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccc3[nH]c(C)cc3c2)cc1 ZINC000012474444 520975568 /nfs/dbraw/zinc/97/55/68/520975568.db2.gz XQXWUFYEKFVOAK-QHCPKHFHSA-N 0 0 434.540 2.882 50 0 IFAARN CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)cc1 ZINC000035325321 521028682 /nfs/dbraw/zinc/02/86/82/521028682.db2.gz YCHZYZJDAZSWCK-KRWDZBQOSA-N 0 0 435.546 2.778 50 0 IFAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000020510188 521055473 /nfs/dbraw/zinc/05/54/73/521055473.db2.gz XHTJRIGOHUKSNU-UHFFFAOYSA-N 0 0 438.889 2.872 50 0 IFAARN CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012881460 521061380 /nfs/dbraw/zinc/06/13/80/521061380.db2.gz LXNGCMVMLYBIDA-UHFFFAOYSA-N 0 0 443.569 2.519 50 0 IFAARN CCOc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000012754590 521063420 /nfs/dbraw/zinc/06/34/20/521063420.db2.gz IIFJPBMZTARONN-UHFFFAOYSA-N 0 0 445.541 2.628 50 0 IFAARN CCN(CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2)c1ccccc1 ZINC000020725719 521072594 /nfs/dbraw/zinc/07/25/94/521072594.db2.gz NTNXQDFVUTYXCM-HSZRJFAPSA-N 0 0 440.569 2.645 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCCC(C)C ZINC000021636081 521167264 /nfs/dbraw/zinc/16/72/64/521167264.db2.gz KJQGMFNCBRGEEL-FQEVSTJZSA-N 0 0 435.590 2.691 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 ZINC000017308111 521201631 /nfs/dbraw/zinc/20/16/31/521201631.db2.gz VLSKSRLYYIVMPR-UHFFFAOYSA-N 0 0 433.917 2.941 50 0 IFAARN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1OCC ZINC000012867355 521224947 /nfs/dbraw/zinc/22/49/47/521224947.db2.gz XYPQLIKJEKXSPL-CQSZACIVSA-N 0 0 427.544 2.927 50 0 IFAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 ZINC000022539524 521234179 /nfs/dbraw/zinc/23/41/79/521234179.db2.gz XWLKMVHXXUTVNL-QGZVFWFLSA-N 0 0 443.573 2.994 50 0 IFAARN CCC(=O)[C@@H]1CCCN(C(=O)CC[C@@]2(Cc3ccc(OC)c(OC)c3)CCC(=O)N2)C1 ZINC000014879575 521234208 /nfs/dbraw/zinc/23/42/08/521234208.db2.gz QBVFVJBCVSLFFZ-HOYKHHGWSA-N 0 0 430.545 2.893 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 ZINC000012916635 521292997 /nfs/dbraw/zinc/29/29/97/521292997.db2.gz ZVJHIUNTKNZKKN-HNNXBMFYSA-N 0 0 442.965 2.930 50 0 IFAARN CCC(C)(C)NC(=O)Cn1c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2oc1=O ZINC000015943830 521320878 /nfs/dbraw/zinc/32/08/78/521320878.db2.gz MZVMMGDCSUTTRB-GASCZTMLSA-N 0 0 437.562 2.566 50 0 IFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cncn2-c2ccc(F)cc2)c(=O)[nH]c1=O ZINC000012547326 521366632 /nfs/dbraw/zinc/36/66/32/521366632.db2.gz KIDWHVOYJNAPCH-UHFFFAOYSA-N 0 0 442.495 2.547 50 0 IFAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCC(C(N)=O)CC1 ZINC000021131259 521372822 /nfs/dbraw/zinc/37/28/22/521372822.db2.gz CKCXPYDVANXEQD-UHFFFAOYSA-N 0 0 433.505 2.867 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000020574899 521385003 /nfs/dbraw/zinc/38/50/03/521385003.db2.gz VYSPPRRGGYFDEL-UHFFFAOYSA-N 0 0 433.530 2.522 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)COc1ccc(-c2nnco2)cc1 ZINC000022698229 521385485 /nfs/dbraw/zinc/38/54/85/521385485.db2.gz YTOWUQJQGSRIRA-UHFFFAOYSA-N 0 0 444.469 2.660 50 0 IFAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000020607707 521388469 /nfs/dbraw/zinc/38/84/69/521388469.db2.gz UUHSOXZKAZAKHG-ZIAGYGMSSA-N 0 0 434.514 2.940 50 0 IFAARN CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2NC(=O)c2ccccc2)c1 ZINC000012629684 521388898 /nfs/dbraw/zinc/38/88/98/521388898.db2.gz SGSOKOMECHSTHB-GOSISDBHSA-N 0 0 440.525 2.577 50 0 IFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(C)c(F)c1 ZINC000021717652 521397224 /nfs/dbraw/zinc/39/72/24/521397224.db2.gz SPYCTEVRIIVMHB-UHFFFAOYSA-N 0 0 439.509 2.666 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)C(=O)N1CCN(Cc3ccccc3)CC1)CCC2 ZINC000020589543 521415535 /nfs/dbraw/zinc/41/55/35/521415535.db2.gz OLZDANFOCVBNKW-UHFFFAOYSA-N 0 0 441.553 2.696 50 0 IFAARN CCCN(C(=O)CN1CCc2cc(OC)c(OC)cc2C1)S(=O)(=O)c1cccc(C)c1 ZINC000035877167 521419834 /nfs/dbraw/zinc/41/98/34/521419834.db2.gz YRZSHHDTXQUIRX-UHFFFAOYSA-N 0 0 446.569 2.998 50 0 IFAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)C(=S)NC(C)C ZINC000036032116 521431700 /nfs/dbraw/zinc/43/17/00/521431700.db2.gz OPMJPFCUWAHLQM-UHFFFAOYSA-N 0 0 438.619 2.608 50 0 IFAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@@H]1CCCO1)C(=O)NC(C)C ZINC000036031844 521433135 /nfs/dbraw/zinc/43/31/35/521433135.db2.gz RBAZZECUNMUKAI-FQEVSTJZSA-N 0 0 448.589 2.976 50 0 IFAARN CCOc1ccccc1-c1noc(CCCn2c(=O)[nH]c3cc4c(cc3c2=O)OCO4)n1 ZINC000021874048 521443663 /nfs/dbraw/zinc/44/36/63/521443663.db2.gz MNZJQYKMULZWHQ-UHFFFAOYSA-N 0 0 436.424 2.500 50 0 IFAARN CCOc1ccccc1-n1nnnc1SCC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012921269 521446220 /nfs/dbraw/zinc/44/62/20/521446220.db2.gz MLSDQXOWKYJOIQ-UHFFFAOYSA-N 0 0 438.513 2.917 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2Cl)cn1C ZINC000035376281 521448191 /nfs/dbraw/zinc/44/81/91/521448191.db2.gz QRZDKGZCYOHPQI-INIZCTEOSA-N 0 0 439.921 2.647 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(Cc1cccc(F)c1)C2=O ZINC000021781444 521452857 /nfs/dbraw/zinc/45/28/57/521452857.db2.gz MUUXOQWLNFWRJD-QHCPKHFHSA-N 0 0 444.507 2.776 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(Cc1ccc(C)cc1)C2=O ZINC000021781270 521456849 /nfs/dbraw/zinc/45/68/49/521456849.db2.gz ADGBOZIMHNNCDY-XMMPIXPASA-N 0 0 440.544 2.945 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(c1ccc(F)cc1F)C2=O ZINC000021781325 521456888 /nfs/dbraw/zinc/45/68/88/521456888.db2.gz ANRVPWWNECRVBJ-JOCHJYFZSA-N 0 0 448.470 2.919 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(c1ccccc1OC)C2=O ZINC000021781511 521457169 /nfs/dbraw/zinc/45/71/69/521457169.db2.gz YQXCKAUMMNWUSY-HSZRJFAPSA-N 0 0 442.516 2.650 50 0 IFAARN CCOc1ccccc1CNC(=O)Cn1cnc2c3cc(OC)c(OC)cc3[nH]c2c1=O ZINC000035372023 521493690 /nfs/dbraw/zinc/49/36/90/521493690.db2.gz MPFIJQDZTVOEJL-UHFFFAOYSA-N 0 0 436.468 2.610 50 0 IFAARN CCOc1ccccc1CNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O ZINC000035527487 521493819 /nfs/dbraw/zinc/49/38/19/521493819.db2.gz NMRLSDIMEDWOSJ-UHFFFAOYSA-N 0 0 444.919 2.731 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN2CCCN(Cc3ccccc3C)S2(=O)=O)cc1 ZINC000021921804 521493927 /nfs/dbraw/zinc/49/39/27/521493927.db2.gz CPWDSHPQFKNUOC-UHFFFAOYSA-N 0 0 445.541 2.563 50 0 IFAARN CCOc1ccccc1CNC(=O)c1cnc2sc(N3CCC[C@H](C)C3)nn2c1=O ZINC000021537699 521502081 /nfs/dbraw/zinc/50/20/81/521502081.db2.gz JTIZNBVFXDZTJI-AWEZNQCLSA-N 0 0 427.530 2.716 50 0 IFAARN CCOc1ccccc1CNC(=O)c1cnc2sc(N3CCC[C@@H](C)C3)nn2c1=O ZINC000021537697 521502248 /nfs/dbraw/zinc/50/22/48/521502248.db2.gz JTIZNBVFXDZTJI-CQSZACIVSA-N 0 0 427.530 2.716 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1 ZINC000021932165 521503030 /nfs/dbraw/zinc/50/30/30/521503030.db2.gz RILLHBCESNBSGD-UHFFFAOYSA-N 0 0 446.463 2.987 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1 ZINC000015858202 521513923 /nfs/dbraw/zinc/51/39/23/521513923.db2.gz JQRCHTDROBZWTA-UHFFFAOYSA-N 0 0 430.482 2.818 50 0 IFAARN CCN1C2=C(C(=O)N(CC(=O)NCC(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035967507 521544190 /nfs/dbraw/zinc/54/41/90/521544190.db2.gz CWZONWISAAOCIM-GOSISDBHSA-N 0 0 438.450 2.660 50 0 IFAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(C)=O ZINC000036013319 521551856 /nfs/dbraw/zinc/55/18/56/521551856.db2.gz COVSPOCSZUVMGL-UHFFFAOYSA-N 0 0 440.519 2.985 50 0 IFAARN CCOC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2c1=O ZINC000020663806 521565806 /nfs/dbraw/zinc/56/58/06/521565806.db2.gz RJQOAQZRFNVOIO-UHFFFAOYSA-N 0 0 440.521 2.945 50 0 IFAARN CCOC(=O)c1sc(NC(=O)COC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)nc1C ZINC000012630443 521613443 /nfs/dbraw/zinc/61/34/43/521613443.db2.gz BZHIEPPDVVNOFC-MRXNPFEDSA-N 0 0 447.513 2.565 50 0 IFAARN CCCn1c2nnc(-c3ccc(OCc4ccccc4)cc3)n2c2c1c(=O)n(C)c(=O)n2C ZINC000016838097 521640872 /nfs/dbraw/zinc/64/08/72/521640872.db2.gz ICDGYXFTUNQZPA-UHFFFAOYSA-N 0 0 444.495 2.737 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2cc(C)ccc2C)[C@@](C)(C(=O)NC2CCCCCC2)C1 ZINC000020928365 521659752 /nfs/dbraw/zinc/65/97/52/521659752.db2.gz QUIGZGUNNZKHER-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2C)[C@](C)(C(=O)NC2CCCCCC2)C1 ZINC000021528452 521660147 /nfs/dbraw/zinc/66/01/47/521660147.db2.gz WMNHFUBBFPKHBS-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN CCN1CCN(C(=O)CCCN2c3c(C)nn(-c4ccccc4)c3SCC2=O)CC1 ZINC000021154668 521661886 /nfs/dbraw/zinc/66/18/86/521661886.db2.gz BASJOWQWQZLQHV-UHFFFAOYSA-N 0 0 427.574 2.564 50 0 IFAARN CCCn1nc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c2ccccc2c1=O ZINC000012556314 521664925 /nfs/dbraw/zinc/66/49/25/521664925.db2.gz XEURMXOEROVBHV-UHFFFAOYSA-N 0 0 431.456 2.674 50 0 IFAARN CCN1CCN(c2nnc(-n3cccc3C(=O)Nc3cc(OC)cc(OC)c3)s2)CC1 ZINC000021535333 521701464 /nfs/dbraw/zinc/70/14/64/521701464.db2.gz LODUPJCAVBCXAK-UHFFFAOYSA-N 0 0 442.545 2.740 50 0 IFAARN CCOCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000012750477 521710997 /nfs/dbraw/zinc/71/09/97/521710997.db2.gz UUMKPWZSNSIAHO-QFIPXVFZSA-N 0 0 425.529 2.712 50 0 IFAARN CCNC(=O)COC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000012630569 521738345 /nfs/dbraw/zinc/73/83/45/521738345.db2.gz IXKPYECWMPSXOQ-REWPJTCUSA-N 0 0 440.496 2.867 50 0 IFAARN CCNC(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000035949019 521739064 /nfs/dbraw/zinc/73/90/64/521739064.db2.gz GMRVHAODFHVMAA-GOSISDBHSA-N 0 0 426.448 2.893 50 0 IFAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@@H]1CCCO1)C1CC1 ZINC000036031850 521739516 /nfs/dbraw/zinc/73/95/16/521739516.db2.gz JRSFSBZTVSWXEO-FQEVSTJZSA-N 0 0 446.573 2.730 50 0 IFAARN CCNC(=O)N1C[C@H](C(=O)NCc2ccc(F)cc2)[C@H](c2cccc(OC)c2OC)C1 ZINC000036055248 521740869 /nfs/dbraw/zinc/74/08/69/521740869.db2.gz BBWKVPLXDJFVNX-OALUTQOASA-N 0 0 429.492 2.904 50 0 IFAARN COC(=O)c1c(C(=O)N2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)nc(C)nc1C(C)C ZINC000035703103 521748795 /nfs/dbraw/zinc/74/87/95/521748795.db2.gz MDJZXPSQQPKQCY-INIZCTEOSA-N 0 0 438.528 2.990 50 0 IFAARN CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)c1 ZINC000035452792 521748984 /nfs/dbraw/zinc/74/89/84/521748984.db2.gz KPUABQXRCGWAQI-AWEZNQCLSA-N 0 0 431.514 2.536 50 0 IFAARN COC(=O)c1c(C)c(C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(OC)cc2)c(C)n1C ZINC000036014468 521751314 /nfs/dbraw/zinc/75/13/14/521751314.db2.gz YAQHAWIVUJDETP-LJQANCHMSA-N 0 0 442.512 2.941 50 0 IFAARN COC(=O)c1c(C)c(C(=O)[C@H](C)N(C2CC2)S(=O)(=O)c2ccc(F)cc2)c(C)n1C ZINC000036018932 521752998 /nfs/dbraw/zinc/75/29/98/521752998.db2.gz MDBKSPXHNSHPTD-AWEZNQCLSA-N 0 0 436.505 2.992 50 0 IFAARN CCc1cccc(NC(=O)Cn2c3cn(CC)nc3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000021713740 521756391 /nfs/dbraw/zinc/75/63/91/521756391.db2.gz FBPBWVIBORKALR-UHFFFAOYSA-N 0 0 431.496 2.629 50 0 IFAARN CCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 ZINC000015766547 521766404 /nfs/dbraw/zinc/76/64/04/521766404.db2.gz ACXYSBGBQOXFAR-OAHLLOKOSA-N 0 0 429.498 2.723 50 0 IFAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2 ZINC000021297660 521785337 /nfs/dbraw/zinc/78/53/37/521785337.db2.gz RTGDFNSFWBGLEC-SYZQJQIISA-N 0 0 433.501 2.524 50 0 fda IFAARN CCSc1nnc(NC(=O)c2cnn(-c3ccc(OC)nn3)c2C(F)(F)F)s1 ZINC000029831041 521796542 /nfs/dbraw/zinc/79/65/42/521796542.db2.gz SQBRSUNQUBYWBX-UHFFFAOYSA-N 0 0 431.425 2.906 50 0 IFAARN COC(=O)c1cc(CNC(=O)[C@H]2CCOC(C)(C)C2)cc(NC(=O)c2cc(C)nn2C)c1 ZINC000012162558 521852734 /nfs/dbraw/zinc/85/27/34/521852734.db2.gz MTOHBEQQNMCLGG-INIZCTEOSA-N 0 0 442.516 2.589 50 0 IFAARN COc1c(F)cc2c(=O)c(C(=O)N3CCN(c4ccccn4)CC3)cn(CCF)c2c1F ZINC000020735526 521859947 /nfs/dbraw/zinc/85/99/47/521859947.db2.gz BSBUFGFUXNXLPM-UHFFFAOYSA-N 0 0 446.429 2.615 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2ccccc2F)CC1 ZINC000012564045 521862907 /nfs/dbraw/zinc/86/29/07/521862907.db2.gz AUIRYQCUHCHVKI-GOSISDBHSA-N 0 0 426.536 2.996 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000012789451 521866567 /nfs/dbraw/zinc/86/65/67/521866567.db2.gz UWVSJIFGXJMCKR-OAHLLOKOSA-N 0 0 429.542 2.670 50 0 IFAARN CCc1ccccc1NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012772877 521871828 /nfs/dbraw/zinc/87/18/28/521871828.db2.gz KSELXSPEUUZGCP-UHFFFAOYSA-N 0 0 429.542 2.792 50 0 IFAARN CCc1ccccc1NC(=O)Cn1c2c(C)nn(CC)c2c(=O)n(Cc2ccco2)c1=O ZINC000035374217 521880696 /nfs/dbraw/zinc/88/06/96/521880696.db2.gz GHXZRZVLKJHIMV-UHFFFAOYSA-N 0 0 435.484 2.530 50 0 IFAARN CNC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000012914270 521893948 /nfs/dbraw/zinc/89/39/48/521893948.db2.gz LVGUNXDSDICPQU-UHFFFAOYSA-N 0 0 429.542 2.792 50 0 IFAARN CCc1ccccc1NC(=S)N(CCCN1CCOCC1)C1CCN(C(C)=O)CC1 ZINC000020728496 521909019 /nfs/dbraw/zinc/90/90/19/521909019.db2.gz LKNKIIMWNIRQQZ-UHFFFAOYSA-N 0 0 432.634 2.981 50 0 IFAARN CNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000012772731 521916692 /nfs/dbraw/zinc/91/66/92/521916692.db2.gz XNVFTWZJBGAKEK-AWEZNQCLSA-N 0 0 435.933 2.739 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(c1ccc(OC)cc1)C2=O ZINC000021878213 521921154 /nfs/dbraw/zinc/92/11/54/521921154.db2.gz PXCFEORWRSUULA-QHCPKHFHSA-N 0 0 440.500 2.546 50 0 IFAARN CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@H](C)c2cccc(OC)c2)c1=O ZINC000012457152 521926055 /nfs/dbraw/zinc/92/60/55/521926055.db2.gz AVZPWWDEIVJKJI-QGZVFWFLSA-N 0 0 433.508 2.950 50 0 IFAARN COC(=O)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(=O)OC)cc2)cc1 ZINC000020220785 521957863 /nfs/dbraw/zinc/95/78/63/521957863.db2.gz TYXXDPQEUBEJHA-UHFFFAOYSA-N 0 0 440.496 2.980 50 0 IFAARN CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)N(C)C(C3CC3)C3CC3)cc2)CC1 ZINC000012836218 521961657 /nfs/dbraw/zinc/96/16/57/521961657.db2.gz HZPWTXUAXINMPU-UHFFFAOYSA-N 0 0 435.590 2.597 50 0 IFAARN COc1cc(/C=C2\N=C(c3ccc(OC(C)C)cc3)OC2=O)cc(OC)c1OCC(N)=O ZINC000014250464 521965958 /nfs/dbraw/zinc/96/59/58/521965958.db2.gz FZECYGMKGLRQIK-MFOYZWKCSA-N 0 0 440.452 2.700 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NCc3ccc(F)cc3Cl)o2)cc1 ZINC000035527880 521973185 /nfs/dbraw/zinc/97/31/85/521973185.db2.gz XOPRSJQNJFHFFB-UHFFFAOYSA-N 0 0 438.868 2.709 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc3ncccc31)n2C ZINC000012603438 521993329 /nfs/dbraw/zinc/99/33/29/521993329.db2.gz VASRIFKSZHUPBQ-UHFFFAOYSA-N 0 0 437.525 2.943 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2nnn(OCCCOc3ccc(C(C)(C)C)cc3)c2c1 ZINC000017482772 521995905 /nfs/dbraw/zinc/99/59/05/521995905.db2.gz JDSHUVGBSYWFTK-UHFFFAOYSA-N 0 0 432.546 2.877 50 0 IFAARN COC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000012921188 522024174 /nfs/dbraw/zinc/02/41/74/522024174.db2.gz QAMIVJFXRVDPNE-OAHLLOKOSA-N 0 0 431.286 2.905 50 0 IFAARN COC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000012921183 522024807 /nfs/dbraw/zinc/02/48/07/522024807.db2.gz QAMIVJFXRVDPNE-HNNXBMFYSA-N 0 0 431.286 2.905 50 0 IFAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc2c(c1)OCO2 ZINC000012196761 522031778 /nfs/dbraw/zinc/03/17/78/522031778.db2.gz VALOGFLROHNMQX-IBGZPJMESA-N 0 0 445.541 2.513 50 0 IFAARN COCCc1nn2c(nc(COC(=O)CSc3ccc(Cl)cc3)cc2=O)s1 ZINC000015734300 522036233 /nfs/dbraw/zinc/03/62/33/522036233.db2.gz CBEADGHGUUICPZ-UHFFFAOYSA-N 0 0 425.919 2.829 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2ccccc2F)n(-c2ccc(Cl)cc2)c1=O ZINC000034693125 522057482 /nfs/dbraw/zinc/05/74/82/522057482.db2.gz QOJMCBPMQGEKGS-UHFFFAOYSA-N 0 0 428.851 2.836 50 0 IFAARN COC(=O)c1ccc(Cl)cc1NC(=O)CSc1nnnn1-c1cccc(OC)c1 ZINC000012293251 522062137 /nfs/dbraw/zinc/06/21/37/522062137.db2.gz WQPHZZAISMYDAO-UHFFFAOYSA-N 0 0 433.877 2.842 50 0 IFAARN COCCn1c(CN(CC(C)C)C(C)=O)cnc1S(=O)(=O)Cc1cccc(OC)c1 ZINC000036030382 522066686 /nfs/dbraw/zinc/06/66/86/522066686.db2.gz YGOUZLMLEJADDO-UHFFFAOYSA-N 0 0 437.562 2.517 50 0 IFAARN COCCn1c(CN(Cc2ccco2)C(C)=O)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030283 522068458 /nfs/dbraw/zinc/06/84/58/522068458.db2.gz UKDOPNUJNVWZDV-UHFFFAOYSA-N 0 0 431.514 2.645 50 0 IFAARN COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000022783913 522078181 /nfs/dbraw/zinc/07/81/81/522078181.db2.gz QEGZFZNFRSYZFF-FQEVSTJZSA-N 0 0 441.915 2.576 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 ZINC000012555299 522091696 /nfs/dbraw/zinc/09/16/96/522091696.db2.gz CTCGCXKDMLOXFD-OAQYLSRUSA-N 0 0 437.496 2.692 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccccc4C)c3c2=O)cc1 ZINC000012228550 522102692 /nfs/dbraw/zinc/10/26/92/522102692.db2.gz KLJSFHJRELRKDQ-UHFFFAOYSA-N 0 0 431.452 2.624 50 0 IFAARN COc1cc(C(=O)N[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C(C)C)cc(OC)c1OC ZINC000032975329 522127674 /nfs/dbraw/zinc/12/76/74/522127674.db2.gz NDPZIYYMJAMFAY-HXUWFJFHSA-N 0 0 444.484 2.512 50 0 IFAARN COCCn1nc(C(=O)N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)ccc1=O ZINC000021708818 522146634 /nfs/dbraw/zinc/14/66/34/522146634.db2.gz QOLSLWMEOKLGMF-JOCHJYFZSA-N 0 0 437.496 2.621 50 0 IFAARN CCc1nc(-c2ccc(N3CCN(C(=O)[C@@H](C)NC(=O)c4ccccc4)CC3)cc2)no1 ZINC000035552842 522147734 /nfs/dbraw/zinc/14/77/34/522147734.db2.gz PNBSPWQXWKRVMD-QGZVFWFLSA-N 0 0 433.512 2.766 50 0 IFAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccnc4)C3)c2)no1 ZINC000033279333 522151375 /nfs/dbraw/zinc/15/13/75/522151375.db2.gz ZUIXBKUNRRTOPM-CYBMUJFWSA-N 0 0 447.542 2.795 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3Cl)CC2)cc1 ZINC000012768186 522151531 /nfs/dbraw/zinc/15/15/31/522151531.db2.gz OVKZKAHBYOTBAS-UHFFFAOYSA-N 0 0 438.933 2.512 50 0 IFAARN COc1cc(C(C)=O)ccc1OCC(=O)NCC(=O)Nc1ccccc1Br ZINC000012700858 522175323 /nfs/dbraw/zinc/17/53/23/522175323.db2.gz ACSOQMYXQPNPGQ-UHFFFAOYSA-N 0 0 435.274 2.794 50 0 IFAARN COc1cc(C)c(NC(=O)COCC(=O)Nc2cc(OC)c(OC)cc2C)cc1OC ZINC000012766825 522203413 /nfs/dbraw/zinc/20/34/13/522203413.db2.gz PRERFUSNTGVYKD-UHFFFAOYSA-N 0 0 432.473 2.932 50 0 IFAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(C)c1)N2 ZINC000020767853 522219432 /nfs/dbraw/zinc/21/94/32/522219432.db2.gz XQLJCZVYQGPURC-QRWLVFNGSA-N 0 0 429.542 2.871 50 0 IFAARN CNS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cc(C)ccc3OC)n[nH]2)ccc1OC ZINC000021806196 522254587 /nfs/dbraw/zinc/25/45/87/522254587.db2.gz MHSMSZYJQBGAOF-UHFFFAOYSA-N 0 0 430.486 2.563 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)ccc1OC ZINC000012795713 522258859 /nfs/dbraw/zinc/25/88/59/522258859.db2.gz XQMWDWWVIZDXPH-QGZVFWFLSA-N 0 0 446.525 2.742 50 0 IFAARN CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012875996 522273706 /nfs/dbraw/zinc/27/37/06/522273706.db2.gz HVSLZHXHMOIFPG-SSGOSMAHSA-N 0 0 428.510 2.743 50 0 IFAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1C ZINC000021625336 522283775 /nfs/dbraw/zinc/28/37/75/522283775.db2.gz YWJJQDQKQCLVMW-HIFRSBDPSA-N 0 0 441.575 2.648 50 0 IFAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc4ccccc4n3)N(CC=C(C)C)C2)nn1 ZINC000012244337 522330742 /nfs/dbraw/zinc/33/07/42/522330742.db2.gz MNCDGNYYRUAFPO-UGKGYDQZSA-N 0 0 448.527 2.511 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(CCCOC(C)C)[C@](C)(C(=O)NC1CCCCCC1)C2 ZINC000021873242 522390796 /nfs/dbraw/zinc/39/07/96/522390796.db2.gz LUCQOCXKORKOPV-QHCPKHFHSA-N 0 0 448.564 2.538 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccc(C)cc1)[C@@](C)(C(=O)NCc1ccccc1)C2 ZINC000021926232 522392289 /nfs/dbraw/zinc/39/22/89/522392289.db2.gz TVDFNPAMKMZCDE-RUZDIDTESA-N 0 0 446.507 2.709 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1)[C@@](C)(C(=O)NCc1ccc(C)cc1)C2 ZINC000033266031 522393899 /nfs/dbraw/zinc/39/38/99/522393899.db2.gz GQIYVRASVCUYLS-RUZDIDTESA-N 0 0 446.507 2.709 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(c1cccc(OC)c1)[C@](C)(C(=O)NC1CCCCC1)C2 ZINC000021872952 522396449 /nfs/dbraw/zinc/39/64/49/522396449.db2.gz BOOKMVROKVMEGE-QHCPKHFHSA-N 0 0 440.500 2.546 50 0 IFAARN CN(CC(=O)NC(C)(C)C)C(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012906475 522454001 /nfs/dbraw/zinc/45/40/01/522454001.db2.gz JXILZDSLMRFVPI-UHFFFAOYSA-N 0 0 436.574 2.924 50 0 IFAARN CN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000021881067 522492591 /nfs/dbraw/zinc/49/25/91/522492591.db2.gz GEYBAECCJVZHAW-OAQYLSRUSA-N 0 0 441.553 2.776 50 0 IFAARN COc1cc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)ccc1O ZINC000012324545 522504006 /nfs/dbraw/zinc/50/40/06/522504006.db2.gz GXVAJAIFPVYFQD-AVRDEDQJSA-N 0 0 426.494 2.645 50 0 IFAARN CN(CC(=O)Nc1cccc2c1CCCC2)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000022880094 522515300 /nfs/dbraw/zinc/51/53/00/522515300.db2.gz DYZJIJJNEKXSCW-UHFFFAOYSA-N 0 0 430.526 2.986 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000012774309 522516963 /nfs/dbraw/zinc/51/69/63/522516963.db2.gz PQVPDNAUNDPQDF-UHFFFAOYSA-N 0 0 440.397 2.741 50 0 IFAARN CN(CC(=O)Nc1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1cccs1 ZINC000012854372 522524777 /nfs/dbraw/zinc/52/47/77/522524777.db2.gz XLSHTXKZKROHGE-UHFFFAOYSA-N 0 0 431.543 2.551 50 0 IFAARN CC[C@@H](CN1CCOCC1)NC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000021538901 522529283 /nfs/dbraw/zinc/52/92/83/522529283.db2.gz CYXJVXGXEZXPRC-SFHVURJKSA-N 0 0 429.590 2.649 50 0 IFAARN COC(CN(C)C(=O)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1)OC ZINC000020729139 522530764 /nfs/dbraw/zinc/53/07/64/522530764.db2.gz SMJVEAZNHJWFFW-UHFFFAOYSA-N 0 0 432.970 2.502 50 0 IFAARN COc1cc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc(OC)c1OC ZINC000012682809 522657492 /nfs/dbraw/zinc/65/74/92/522657492.db2.gz SCKHUZDFAANDHD-MCMMXHMISA-N 0 0 433.505 2.788 50 0 IFAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1C ZINC000021625342 522665193 /nfs/dbraw/zinc/66/51/93/522665193.db2.gz YWJJQDQKQCLVMW-ZFWWWQNUSA-N 0 0 441.575 2.648 50 0 IFAARN COc1cc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)cc(OC)c1 ZINC000012418295 522673773 /nfs/dbraw/zinc/67/37/73/522673773.db2.gz FBRNSVONRJRESR-UHFFFAOYSA-N 0 0 435.480 2.893 50 0 biogenic,in-vitro IFAARN CCc1nn(CC(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc3sccc3n21 ZINC000020862549 522701667 /nfs/dbraw/zinc/70/16/67/522701667.db2.gz QTTHQJYXHYHYLY-UHFFFAOYSA-N 0 0 440.525 2.649 50 0 IFAARN CCc1nn(CC(=O)NCc2ccccc2Br)c(=O)c2cc3occc3n21 ZINC000020386178 522703046 /nfs/dbraw/zinc/70/30/46/522703046.db2.gz SXMNNQFFYCEZEA-UHFFFAOYSA-N 0 0 429.274 2.884 50 0 IFAARN COCC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(C)cc1 ZINC000035960389 522720361 /nfs/dbraw/zinc/72/03/61/522720361.db2.gz OUJCZVBKWDVMST-NRFANRHFSA-N 0 0 439.512 2.795 50 0 IFAARN CN(CCCC(=O)Nc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000012533576 522721427 /nfs/dbraw/zinc/72/14/27/522721427.db2.gz SHPWXKATUQQYOS-UHFFFAOYSA-N 0 0 435.521 2.702 50 0 IFAARN COc1cc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc(OC)c1OC ZINC000012006008 522722062 /nfs/dbraw/zinc/72/20/62/522722062.db2.gz JIAWLKGPRUKTCY-UHFFFAOYSA-N 0 0 448.497 2.667 50 0 IFAARN COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)cc21 ZINC000021756875 522741766 /nfs/dbraw/zinc/74/17/66/522741766.db2.gz OVHDKJJEYHNEQK-UHFFFAOYSA-N 0 0 431.514 2.680 50 0 IFAARN CN(CCCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)c1ccccc1 ZINC000021027092 522766106 /nfs/dbraw/zinc/76/61/06/522766106.db2.gz SWLDMGFYXSBDNF-KRWDZBQOSA-N 0 0 442.589 2.524 50 0 IFAARN COc1cc(OC)c(C2=CCN(C(=O)CNC(=O)COc3ccccc3)CC2)c(OC)c1 ZINC000011918999 522790000 /nfs/dbraw/zinc/79/00/00/522790000.db2.gz YFWNFXZTBCHTKS-UHFFFAOYSA-N 0 0 440.496 2.523 50 0 IFAARN COc1cc(OC)c(N2C[C@H](C(=O)N3CC(=O)Nc4ccccc43)CC2=O)cc1Cl ZINC000022064419 522797568 /nfs/dbraw/zinc/79/75/68/522797568.db2.gz RSGZJBZEBSLHGG-GFCCVEGCSA-N 0 0 429.860 2.695 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCc3nc(N4CCC(C)CC4)nc(N(C)C)c3C2)c1 ZINC000034756306 522849358 /nfs/dbraw/zinc/84/93/58/522849358.db2.gz JVEAAVOUQIXMIP-UHFFFAOYSA-N 0 0 439.560 2.995 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2cc(C)ccc2C)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020848923 522889280 /nfs/dbraw/zinc/88/92/80/522889280.db2.gz STXORQBRGGBPNE-FQEVSTJZSA-N 0 0 428.510 2.867 50 0 IFAARN COc1cc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1NC(C)=O ZINC000008986882 522894313 /nfs/dbraw/zinc/89/43/13/522894313.db2.gz VATIDQUMGAQEAV-SFHVURJKSA-N 0 0 432.498 2.951 50 0 IFAARN COCc1c(C(=O)N(C)[C@@H]2CCOC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012121742 522897147 /nfs/dbraw/zinc/89/71/47/522897147.db2.gz UQFXTXLCPQWBFW-GOSISDBHSA-N 0 0 433.512 2.825 50 0 IFAARN COc1cc([C@@H]2CN(C(=O)c3ccco3)C[C@@H]2C(=O)NCC(C)C)cc(OC)c1OC ZINC000036043956 522926720 /nfs/dbraw/zinc/92/67/20/522926720.db2.gz KOEAVEMFEFMSAY-IRXDYDNUSA-N 0 0 430.501 2.933 50 0 IFAARN COc1cc([C@H]2CN(C(=O)c3ccco3)C[C@H]2C(=O)NCC(C)C)cc(OC)c1OC ZINC000036043948 522963560 /nfs/dbraw/zinc/96/35/60/522963560.db2.gz KOEAVEMFEFMSAY-IAGOWNOFSA-N 0 0 430.501 2.933 50 0 IFAARN COCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)o1 ZINC000020781588 522976055 /nfs/dbraw/zinc/97/60/55/522976055.db2.gz QUOOFWWZHAAVTL-GOSISDBHSA-N 0 0 437.544 2.886 50 0 IFAARN CN(CCc1cn[nH]c1)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O ZINC000012128843 522981942 /nfs/dbraw/zinc/98/19/42/522981942.db2.gz LBBVALMTHRPNMO-RUZDIDTESA-N 0 0 430.508 2.794 50 0 IFAARN CC[C@@H](O)CNC(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C1CC1 ZINC000012281067 523005052 /nfs/dbraw/zinc/00/50/52/523005052.db2.gz YZFROPOORPNRQD-OAHLLOKOSA-N 0 0 437.500 2.725 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CN1CCN(C/C=C/c3ccccc3)CC1)CC2 ZINC000020548333 523026774 /nfs/dbraw/zinc/02/67/74/523026774.db2.gz YIBTXXOJINWRHU-RMKNXTFCSA-N 0 0 435.568 2.920 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)c3ccccc3n2)cc1 ZINC000035380118 523093035 /nfs/dbraw/zinc/09/30/35/523093035.db2.gz YDMYVPDAARSVEZ-UHFFFAOYSA-N 0 0 444.535 2.947 50 0 IFAARN CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCCc3ccccc3)cc2)c2cccnc21 ZINC000021153059 523098800 /nfs/dbraw/zinc/09/88/00/523098800.db2.gz MYWSQIFBAALJDW-UHFFFAOYSA-N 0 0 442.519 2.989 50 0 IFAARN CCn1c(=O)c(C(=O)CNc2cccc(C(F)(F)F)c2)c(N)n(Cc2ccccc2)c1=O ZINC000015086479 523100744 /nfs/dbraw/zinc/10/07/44/523100744.db2.gz HTTCSWAGDUXPSG-UHFFFAOYSA-N 0 0 446.429 2.974 50 0 IFAARN CCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2cccc3ccccc32)n(C)c1=O ZINC000012231809 523104841 /nfs/dbraw/zinc/10/48/41/523104841.db2.gz HUXOKGGJBGICPE-UHFFFAOYSA-N 0 0 428.496 2.921 50 0 IFAARN CCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O ZINC000033140907 523108247 /nfs/dbraw/zinc/10/82/47/523108247.db2.gz XMONQTGQCRNODO-UHFFFAOYSA-N 0 0 433.921 2.532 50 0 IFAARN COc1ccc(-c2cc3ncn(CC(=O)O[C@H](C)C(=O)NC(C)C)c(=O)c3s2)cc1 ZINC000022021605 523124245 /nfs/dbraw/zinc/12/42/45/523124245.db2.gz PUSJGVQFFJGENT-CYBMUJFWSA-N 0 0 429.498 2.590 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1 ZINC000032958550 523149622 /nfs/dbraw/zinc/14/96/22/523149622.db2.gz VSJCWANTVXRCOZ-QGZVFWFLSA-N 0 0 449.573 2.518 50 0 IFAARN COc1ccc(-c2coc3cc(OCC(=O)N4CCN(C(C)=O)CC4)ccc3c2=O)cc1 ZINC000012321090 523158131 /nfs/dbraw/zinc/15/81/31/523158131.db2.gz MBQAUFQHGMZQMR-UHFFFAOYSA-N 0 0 436.464 2.538 50 0 IFAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 ZINC000012378218 523178208 /nfs/dbraw/zinc/17/82/08/523178208.db2.gz HCFCAOHUYQIYTQ-OAHLLOKOSA-N 0 0 441.509 2.776 50 0 IFAARN COC(=O)CN1c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2C(C)(C)C1=O ZINC000021112896 523186425 /nfs/dbraw/zinc/18/64/25/523186425.db2.gz JVYSNIVEVDGWTR-UHFFFAOYSA-N 0 0 436.917 2.616 50 0 IFAARN COCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCN(C(=O)NC(C)C)CC2)n1 ZINC000035990399 523215570 /nfs/dbraw/zinc/21/55/70/523215570.db2.gz FWRDPVPYEAKFKG-UHFFFAOYSA-N 0 0 437.548 2.819 50 0 IFAARN COc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)NCCc3ccccc3)n2)cc1 ZINC000021537456 523226766 /nfs/dbraw/zinc/22/67/66/523226766.db2.gz BXVYVTCLHBKLLP-UHFFFAOYSA-N 0 0 435.509 2.544 50 0 IFAARN COc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)N(C)C3CCCCC3)n2)cc1 ZINC000021537294 523227060 /nfs/dbraw/zinc/22/70/60/523227060.db2.gz ZIEKUFSHUQFMEX-UHFFFAOYSA-N 0 0 427.530 2.976 50 0 IFAARN COC(=O)CSc1nc2c(cc(OC)c(OC)c2OC)c(=O)n1-c1cccc(C)c1 ZINC000035924818 523247174 /nfs/dbraw/zinc/24/71/74/523247174.db2.gz ASWIIUHIMGXHMT-UHFFFAOYSA-N 0 0 430.482 2.985 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)NCCCN3CCCC3=O)n2CC(C)C)cc1 ZINC000012911781 523259728 /nfs/dbraw/zinc/25/97/28/523259728.db2.gz VYJUQSMIERSBDH-UHFFFAOYSA-N 0 0 445.589 2.831 50 0 IFAARN CCn1c2ccc(C(=O)N(C)Cc3c(C)nn(-c4ccccc4)c3C)cc2[nH]c(=O)c1=O ZINC000018132336 523259736 /nfs/dbraw/zinc/25/97/36/523259736.db2.gz SFLWYQPLGNDUMB-UHFFFAOYSA-N 0 0 431.496 2.784 50 0 IFAARN CCn1c2ccc(C(=O)NCCSc3ccc(Br)cc3)cc2[nH]c(=O)c1=O ZINC000012807601 523261157 /nfs/dbraw/zinc/26/11/57/523261157.db2.gz FJDHDERXGZESPK-UHFFFAOYSA-N 0 0 448.342 2.994 50 0 IFAARN COCCCN([C@H](C)c1ccccn1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000021650804 523269346 /nfs/dbraw/zinc/26/93/46/523269346.db2.gz VSSNSDITWZFENC-CYBMUJFWSA-N 0 0 439.921 2.854 50 0 IFAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000012567919 523278849 /nfs/dbraw/zinc/27/88/49/523278849.db2.gz XAYMJJRYVDETJC-UHFFFAOYSA-N 0 0 428.466 2.759 50 0 IFAARN COc1ccc(-c2noc(CN3CCC(CN4CCCC4=O)CC3)n2)c(OC)c1OC ZINC000012589210 523286522 /nfs/dbraw/zinc/28/65/22/523286522.db2.gz JBALGYBMBOZWOB-UHFFFAOYSA-N 0 0 430.505 2.597 50 0 IFAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009662584 523323566 /nfs/dbraw/zinc/32/35/66/523323566.db2.gz YVRFMBRMTIWPAI-MRXNPFEDSA-N 0 0 445.566 2.772 50 0 IFAARN COCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000021712336 523351577 /nfs/dbraw/zinc/35/15/77/523351577.db2.gz HXKVTWOGYJLESJ-FQEVSTJZSA-N 0 0 439.512 2.705 50 0 IFAARN CN(Cc1ccccc1N1CCOCC1)C(=O)C[C@H](NC(N)=O)c1ccccc1Cl ZINC000012728575 523376585 /nfs/dbraw/zinc/37/65/85/523376585.db2.gz XNQRLPSSNGMGIH-IBGZPJMESA-N 0 0 430.936 2.935 50 0 IFAARN COc1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1OC ZINC000033528019 523430315 /nfs/dbraw/zinc/43/03/15/523430315.db2.gz UCGWYUCXCIKLGA-NLYOKYSBSA-N 0 0 442.537 2.862 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccc(C)cc1)c(=O)n2CC(=O)Nc1ccccc1F ZINC000021713822 523486674 /nfs/dbraw/zinc/48/66/74/523486674.db2.gz OWRIUDFIBZKZMW-UHFFFAOYSA-N 0 0 435.459 2.514 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccc(C)cc1)c(=O)n2CC(=O)Nc1ccccc1C ZINC000021713811 523486824 /nfs/dbraw/zinc/48/68/24/523486824.db2.gz DMNUJVDAUPKNSV-UHFFFAOYSA-N 0 0 431.496 2.683 50 0 IFAARN CCn1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(s2)c(OC)ccc3OC)n1 ZINC000023128295 523490325 /nfs/dbraw/zinc/49/03/25/523490325.db2.gz VLDMCGINLXCDCH-UHFFFAOYSA-N 0 0 445.545 2.509 50 0 IFAARN COCCCn1c(CN(Cc2nccn2C)C(C)C)cnc1S(=O)(=O)C1CCCC1 ZINC000012316756 523498765 /nfs/dbraw/zinc/49/87/65/523498765.db2.gz XKTXAECZKZDQEQ-UHFFFAOYSA-N 0 0 437.610 2.780 50 0 IFAARN CO[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)C1 ZINC000012159855 523586477 /nfs/dbraw/zinc/58/64/77/523586477.db2.gz CMHPTWFDODBOSN-CJFMBICVSA-N 0 0 435.524 2.614 50 0 IFAARN COc1ccc(C(=O)N2CCC([C@]3(CCC(C)C)NC(=O)NC3=O)CC2)c(OC)c1OC ZINC000011839357 523626382 /nfs/dbraw/zinc/62/63/82/523626382.db2.gz PCFAGKUIMXKFOB-QHCPKHFHSA-N 0 0 447.532 2.579 50 0 IFAARN CN(c1ccc(OCC(=O)NCCc2ccccn2)cc1)S(=O)(=O)c1cccs1 ZINC000021773984 523641904 /nfs/dbraw/zinc/64/19/04/523641904.db2.gz RTLOFQFGNQPFKY-UHFFFAOYSA-N 0 0 431.539 2.706 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1)C(C)=O ZINC000035961086 523651436 /nfs/dbraw/zinc/65/14/36/523651436.db2.gz KCUPVDUJPGBOLX-QFIPXVFZSA-N 0 0 439.512 2.876 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc(OC)ccc1OC)C(C)=O ZINC000035948587 523654453 /nfs/dbraw/zinc/65/44/53/523654453.db2.gz YIPWQUULGVVAAY-IBGZPJMESA-N 0 0 445.541 2.938 50 0 IFAARN COC(=O)[C@@H]1CCCN1C(=O)CC[C@]1(Cc2ccc(OC)c3ccccc23)CCC(=O)N1 ZINC000014994572 523690598 /nfs/dbraw/zinc/69/05/98/523690598.db2.gz WRADFQADSGAOII-CPJSRVTESA-N 0 0 438.524 2.984 50 0 IFAARN COCCN(CCC(=O)N1CCCCC1)C(=O)c1cc(-c2cc(OC)ccc2OC)on1 ZINC000036015196 523691073 /nfs/dbraw/zinc/69/10/73/523691073.db2.gz XZGJRTXAHBQMRI-UHFFFAOYSA-N 0 0 445.516 2.850 50 0 IFAARN CN1C(=O)C[C@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)[C@H]1c1ccccc1 ZINC000020427302 523707579 /nfs/dbraw/zinc/70/75/79/523707579.db2.gz JOCUEBGLTXSEOI-KBXCAEBGSA-N 0 0 429.523 2.858 50 0 IFAARN COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1CN1CC(=O)N2CCC[C@H]2C1=O ZINC000021527306 523715759 /nfs/dbraw/zinc/71/57/59/523715759.db2.gz JBXHGRNIBHZYJA-IBGZPJMESA-N 0 0 441.915 2.612 50 0 IFAARN CC[C@@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O ZINC000012899855 523746587 /nfs/dbraw/zinc/74/65/87/523746587.db2.gz UYUUSCHQMIBSGG-DEOSSOPVSA-N 0 0 434.496 2.918 50 0 IFAARN COc1ccc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c2ccccc12 ZINC000023065888 523770205 /nfs/dbraw/zinc/77/02/05/523770205.db2.gz RTHXZLFYSVUZSE-UHFFFAOYSA-N 0 0 439.468 2.537 50 0 IFAARN COc1ccc(C(=O)[C@@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1OC ZINC000021670231 523776709 /nfs/dbraw/zinc/77/67/09/523776709.db2.gz FWYHFYITVBULFA-BJKOFHAPSA-N 0 0 440.540 2.661 50 0 IFAARN CCc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)on1 ZINC000012575448 523788447 /nfs/dbraw/zinc/78/84/47/523788447.db2.gz KCVIPSIRSRZWCK-HSZRJFAPSA-N 0 0 432.524 2.911 50 0 IFAARN CN1CCCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)c2nc3ccccc3nc21 ZINC000012782442 523800614 /nfs/dbraw/zinc/80/06/14/523800614.db2.gz WBOVVBJBFZHDEL-UHFFFAOYSA-N 0 0 429.480 2.879 50 0 IFAARN COC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000012369532 523807190 /nfs/dbraw/zinc/80/71/90/523807190.db2.gz IYBNPZZOADHXQO-NSHDSACASA-N 0 0 428.435 2.659 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000012783762 523829850 /nfs/dbraw/zinc/82/98/50/523829850.db2.gz FQCYBRWZDVPKGV-UHFFFAOYSA-N 0 0 434.562 2.876 50 0 IFAARN CN(C(=O)COc1ccc2occ(C(=O)c3ccsc3)c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000334160402 523834338 /nfs/dbraw/zinc/83/43/38/523834338.db2.gz DBQUFVYAOQAKON-CQSZACIVSA-N 0 0 433.507 2.750 50 0 IFAARN CCc1ccc(-n2c(N)c3c(C)nnc-3nc2S[C@@H](CC)C(=O)N2CCOCC2)cc1 ZINC000020758985 523866548 /nfs/dbraw/zinc/86/65/48/523866548.db2.gz XNTVWKHYHURNJT-KRWDZBQOSA-N 0 0 440.573 2.828 50 0 IFAARN CN1CCN(C(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)CC1 ZINC000020531924 523867149 /nfs/dbraw/zinc/86/71/49/523867149.db2.gz FVHFASPXLVYVHA-UHFFFAOYSA-N 0 0 428.537 2.587 50 0 IFAARN COc1ccc(C2=C(C)C(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)S2(=O)=O)cc1 ZINC000035534637 523871850 /nfs/dbraw/zinc/87/18/50/523871850.db2.gz WNNOMNDWNPXUPV-INIZCTEOSA-N 0 0 442.537 2.736 50 0 IFAARN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3[C@@H](C)CC(C)C[C@@H]3C)=C2)cc1OC ZINC000020569401 523880761 /nfs/dbraw/zinc/88/07/61/523880761.db2.gz NQGKQBKWXLNWJL-GJZGRUSLSA-N 0 0 435.546 2.603 50 0 IFAARN COCCNC(=O)CN1C(=O)/C(=C\c2ccccc2Br)Oc2ccccc21 ZINC000020732930 523891300 /nfs/dbraw/zinc/89/13/00/523891300.db2.gz PVMQFMISFZRKJW-LDADJPATSA-N 0 0 431.286 2.978 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 ZINC000041157309 523899356 /nfs/dbraw/zinc/89/93/56/523899356.db2.gz XEQGSKCIDKSXGV-PMACEKPBSA-N 0 0 428.554 2.747 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 ZINC000041157312 523899846 /nfs/dbraw/zinc/89/98/46/523899846.db2.gz XEQGSKCIDKSXGV-VQTJNVASSA-N 0 0 428.554 2.747 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC)cc1 ZINC000041157921 523910267 /nfs/dbraw/zinc/91/02/67/523910267.db2.gz FOMOXFIJVFWWSG-SFTDATJTSA-N 0 0 426.513 2.740 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000012321641 523910421 /nfs/dbraw/zinc/91/04/21/523910421.db2.gz WRNXALJYPZFASR-KNQAVFIVSA-N 0 0 433.508 2.921 50 0 IFAARN CCc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000012932072 523913291 /nfs/dbraw/zinc/91/32/91/523913291.db2.gz HDQIQJXFTWDRHF-UHFFFAOYSA-N 0 0 443.569 2.706 50 0 IFAARN COCCNC(=O)[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1c1cccc(OC)c1OC ZINC000036054245 523920227 /nfs/dbraw/zinc/92/02/27/523920227.db2.gz UDHBXDRREIDSCH-PMACEKPBSA-N 0 0 426.513 2.631 50 0 IFAARN COc1ccc(CCNC(=O)CSc2ccccc2C(=O)N2CCOCC2)cc1OC ZINC000012685085 523959974 /nfs/dbraw/zinc/95/99/74/523959974.db2.gz BOCCHZOOOIFOOK-UHFFFAOYSA-N 0 0 444.553 2.627 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000020581419 523962967 /nfs/dbraw/zinc/96/29/67/523962967.db2.gz KVYCEJCUNNVMLS-VQTJNVASSA-N 0 0 427.526 2.604 50 0 IFAARN CC[C@H](C)NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 ZINC000033024606 523963644 /nfs/dbraw/zinc/96/36/44/523963644.db2.gz CRSINJWQZARIQT-ZDUSSCGKSA-N 0 0 445.545 2.566 50 0 IFAARN CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 ZINC000020529408 523970827 /nfs/dbraw/zinc/97/08/27/523970827.db2.gz RISMXPIOOCSCDR-HNNXBMFYSA-N 0 0 429.542 2.854 50 0 IFAARN COc1ccc(CCNC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)cc1OC ZINC000077100438 523972942 /nfs/dbraw/zinc/97/29/42/523972942.db2.gz WWJOCLZNOXEVJL-UHFFFAOYSA-N 0 0 437.378 2.551 50 0 IFAARN CC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(C)c1)N2 ZINC000020767858 524000442 /nfs/dbraw/zinc/00/04/42/524000442.db2.gz XQLJCZVYQGPURC-YWZLYKJASA-N 0 0 429.542 2.871 50 0 IFAARN COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c(OC)c1OC ZINC000012915994 524008795 /nfs/dbraw/zinc/00/87/95/524008795.db2.gz HVNJSSJKIBNZDL-UHFFFAOYSA-N 0 0 448.541 2.832 50 0 IFAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 ZINC000035941498 524023905 /nfs/dbraw/zinc/02/39/05/524023905.db2.gz IMUAGJOFSPYVBQ-HNNXBMFYSA-N 0 0 438.484 2.641 50 0 IFAARN CN1N=C(C(=O)N2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)CCC1=O ZINC000012716014 524029583 /nfs/dbraw/zinc/02/95/83/524029583.db2.gz ULZUKUMEVYVOMB-GOSISDBHSA-N 0 0 432.524 2.930 50 0 IFAARN COc1ccc(CN2CCN(C(=O)CCC(=O)Nc3nnc(C(C)C)s3)CC2)cc1F ZINC000020461072 524030211 /nfs/dbraw/zinc/03/02/11/524030211.db2.gz CLRFDGCRONTZDM-UHFFFAOYSA-N 0 0 449.552 2.872 50 0 IFAARN COc1ccc(CN2CCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)cc1OC ZINC000022793832 524032255 /nfs/dbraw/zinc/03/22/55/524032255.db2.gz ZTCJEKJJBPLAMH-UHFFFAOYSA-N 0 0 427.549 2.772 50 0 IFAARN CN1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)cc2C(C)(C)C1=O ZINC000020487964 524032572 /nfs/dbraw/zinc/03/25/72/524032572.db2.gz ZNRFVILABUZVAN-MRXNPFEDSA-N 0 0 447.601 2.790 50 0 IFAARN CN1c2ccc(S(=O)(=O)NCC3CCC(C(=O)N4CCCC4)CC3)cc2C(C)(C)C1=O ZINC000020516209 524032863 /nfs/dbraw/zinc/03/28/63/524032863.db2.gz AZKFOAYOLJBEMM-UHFFFAOYSA-N 0 0 447.601 2.648 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc3ncccc3c2)c(C)c1C ZINC000012307644 524035079 /nfs/dbraw/zinc/03/50/79/524035079.db2.gz NLZWNRWRMWOAHS-HSZRJFAPSA-N 0 0 446.551 2.867 50 0 IFAARN COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 ZINC000012342360 524044725 /nfs/dbraw/zinc/04/47/25/524044725.db2.gz ZMQDFPRGLFCTKT-JOCHJYFZSA-N 0 0 433.508 2.820 50 0 IFAARN COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000022495237 524050325 /nfs/dbraw/zinc/05/03/25/524050325.db2.gz IZWAZEZFYQZNSV-DEOSSOPVSA-N 0 0 439.512 2.911 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c(OC)c1 ZINC000015728153 524062787 /nfs/dbraw/zinc/06/27/87/524062787.db2.gz LPXFBWRSVSBCQB-MRXNPFEDSA-N 0 0 427.530 2.879 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1c2cn(C)nc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000021713926 524063985 /nfs/dbraw/zinc/06/39/85/524063985.db2.gz XBWXPFMTMFJDCU-UHFFFAOYSA-N 0 0 449.486 2.594 50 0 IFAARN COc1ccc(CNC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)c(OC)c1 ZINC000169749787 524066049 /nfs/dbraw/zinc/06/60/49/524066049.db2.gz DZZIGMBCWOKDHH-UHFFFAOYSA-N 0 0 427.530 2.538 50 0 IFAARN C[C@@H](C(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1)N1CCCC1=O ZINC000012466225 524102927 /nfs/dbraw/zinc/10/29/27/524102927.db2.gz ICHCDGCMTJLBSA-SFHVURJKSA-N 0 0 437.544 2.629 50 0 IFAARN COc1ccc(CNc2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)n2)cc1 ZINC000021035851 524107497 /nfs/dbraw/zinc/10/74/97/524107497.db2.gz UKJVEZYNHZUTRN-UHFFFAOYSA-N 0 0 435.484 2.597 50 0 IFAARN COc1ccc(COC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cc1OC ZINC000014247491 524111491 /nfs/dbraw/zinc/11/14/91/524111491.db2.gz GVIYQPKSQZBMAB-INIZCTEOSA-N 0 0 444.509 2.608 50 0 IFAARN C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000012380425 524125914 /nfs/dbraw/zinc/12/59/14/524125914.db2.gz YMINRELBLAEXJF-KRWDZBQOSA-N 0 0 435.977 2.839 50 0 IFAARN Cc1cccc(-n2ncc3c2ncn(CC(=O)Nc2ccc4c(c2)OCCO4)c3=O)c1C ZINC000012237788 524147779 /nfs/dbraw/zinc/14/77/79/524147779.db2.gz HVIHYIGRAOBUFS-UHFFFAOYSA-N 0 0 431.452 2.609 50 0 IFAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000022808297 524153327 /nfs/dbraw/zinc/15/33/27/524153327.db2.gz WJONOXFQDAXGLI-JTHBVZDNSA-N 0 0 441.597 2.788 50 0 IFAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n(N)c2=O)cc1 ZINC000012348221 524168310 /nfs/dbraw/zinc/16/83/10/524168310.db2.gz MOTODBADQHXCCQ-UHFFFAOYSA-N 0 0 445.932 2.644 50 0 IFAARN C[C@@H](C(=O)NCCN1CCOCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562074 524186920 /nfs/dbraw/zinc/18/69/20/524186920.db2.gz BMZLMSUFQMZUHT-MRXNPFEDSA-N 0 0 446.979 2.758 50 0 IFAARN COc1cccc([C@H]2[C@@H](C(=O)NCCN3CCOCC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928034 524187355 /nfs/dbraw/zinc/18/73/55/524187355.db2.gz HYBUNYVQQNBUCV-ZEQRLZLVSA-N 0 0 449.551 2.587 50 0 IFAARN Cc1cccc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1 ZINC000012805444 524191537 /nfs/dbraw/zinc/19/15/37/524191537.db2.gz LZCMYIZZFCCGLD-PDGQHHTCSA-N 0 0 441.484 2.717 50 0 IFAARN C[C@@H]1CCCN(C(=O)Cn2c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3oc2=O)C1 ZINC000020356774 524194669 /nfs/dbraw/zinc/19/46/69/524194669.db2.gz BSCSGUDMEFQRHM-ZACQAIPSSA-N 0 0 449.573 2.520 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2c(nc[nH]c2=O)n1C[C@H]1CCCO1 ZINC000012371146 524227395 /nfs/dbraw/zinc/22/73/95/524227395.db2.gz RULHWPATNPAGHT-GFCCVEGCSA-N 0 0 449.920 2.691 50 0 biogenic,in-vitro IFAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(CCNS(C)(=O)=O)cc3)n2)C1 ZINC000012796253 524237687 /nfs/dbraw/zinc/23/76/87/524237687.db2.gz NGALSJGOZODSLM-OAHLLOKOSA-N 0 0 436.603 2.719 50 0 IFAARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022785684 524263174 /nfs/dbraw/zinc/26/31/74/524263174.db2.gz VQVVUEWXPWKSEQ-AWEZNQCLSA-N 0 0 436.541 2.611 50 0 IFAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)NC[C@@H]4CCCO4)c3c2=O)cc1 ZINC000035371874 524263613 /nfs/dbraw/zinc/26/36/13/524263613.db2.gz PTPFQFKIAVBCJC-IBGZPJMESA-N 0 0 446.507 2.703 50 0 IFAARN COc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)NCCc1ccco1)c(C)n2C ZINC000035448466 524270643 /nfs/dbraw/zinc/27/06/43/524270643.db2.gz FCMZECGOTGUWQV-UHFFFAOYSA-N 0 0 434.496 2.902 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1cncc(Br)c1 ZINC000021330920 524279140 /nfs/dbraw/zinc/27/91/40/524279140.db2.gz AWZZUKUTTLOFJM-CYBMUJFWSA-N 0 0 434.290 2.761 50 0 IFAARN Cc1ccc(CCNC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@@H]3C2=O)cc1 ZINC000021942067 524325556 /nfs/dbraw/zinc/32/55/56/524325556.db2.gz JWFPMYFVBUPAMQ-JOCHJYFZSA-N 0 0 448.567 2.761 50 0 IFAARN C[C@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccccc1 ZINC000012602366 524382208 /nfs/dbraw/zinc/38/22/08/524382208.db2.gz FIFWPKFEPIFJCO-MRXNPFEDSA-N 0 0 428.558 2.676 50 0 IFAARN COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012201031 524384555 /nfs/dbraw/zinc/38/45/55/524384555.db2.gz FZHMBCNSFUEGSN-UHFFFAOYSA-N 0 0 442.537 2.992 50 0 IFAARN Cc1cc(C)cc(N([C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000020482069 524409062 /nfs/dbraw/zinc/40/90/62/524409062.db2.gz BENLWLVDZRKLRO-FQEVSTJZSA-N 0 0 429.586 2.802 50 0 IFAARN Cc1ccc(CN2C(=O)COc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 ZINC000035377523 524428840 /nfs/dbraw/zinc/42/88/40/524428840.db2.gz UEBWILUOKSDBOB-UHFFFAOYSA-N 0 0 443.507 2.673 50 0 IFAARN C[C@H]1CCc2c(sc3ncn(C[C@H](O)COCc4ccc5c(c4)OCO5)c(=O)c32)C1 ZINC000012910296 524437151 /nfs/dbraw/zinc/43/71/51/524437151.db2.gz JXFGKSKJNKSNLU-ZFWWWQNUSA-N 0 0 428.510 2.889 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4Cl)CC3)CC2=O)cc1 ZINC000020734823 524441982 /nfs/dbraw/zinc/44/19/82/524441982.db2.gz SSWLPMCMSBGYJM-INIZCTEOSA-N 0 0 441.915 2.686 50 0 IFAARN Cc1ccc(CN2CCCn3nc(C(=O)NCc4ccc5c(c4)OCO5)cc3C2=O)cc1 ZINC000021933552 524452045 /nfs/dbraw/zinc/45/20/45/524452045.db2.gz PSPQXRLSBDXSJK-UHFFFAOYSA-N 0 0 432.480 2.896 50 0 IFAARN Cc1ccc(CN2CCN(C3CCN(C(=O)COc4cccc(C)c4)CC3)C(=O)C2=O)cc1 ZINC000035376545 524456373 /nfs/dbraw/zinc/45/63/73/524456373.db2.gz FYQCPSJBCNGTBP-UHFFFAOYSA-N 0 0 449.551 2.544 50 0 IFAARN COc1ccccc1CNC(=O)CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000021640521 524461214 /nfs/dbraw/zinc/46/12/14/524461214.db2.gz BEDNLEKYLQMTJN-UHFFFAOYSA-N 0 0 435.459 2.667 50 0 IFAARN COc1ccccc1CNC(=O)CN1C(=O)CSc2ccc(C(=O)N3CCCC3)cc21 ZINC000035402623 524463104 /nfs/dbraw/zinc/46/31/04/524463104.db2.gz RIQHFVTWANWZOI-UHFFFAOYSA-N 0 0 439.537 2.686 50 0 IFAARN COc1ccccc1CNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 ZINC000012233044 524464836 /nfs/dbraw/zinc/46/48/36/524464836.db2.gz NBWWQDJXYLBENZ-QGZVFWFLSA-N 0 0 447.520 2.944 50 0 IFAARN COc1ccccc1CNC(=O)[C@@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000015726681 524470783 /nfs/dbraw/zinc/47/07/83/524470783.db2.gz MVFQMNARJYHURB-KBPBESRZSA-N 0 0 448.566 2.854 50 0 IFAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cc2)n1 ZINC000012782894 524479667 /nfs/dbraw/zinc/47/96/67/524479667.db2.gz LFGZVWDUDYKXQN-QHCPKHFHSA-N 0 0 446.507 2.614 50 0 IFAARN COc1ccc(NC(=O)CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 ZINC000012896512 524480595 /nfs/dbraw/zinc/48/05/95/524480595.db2.gz XZRUCFVAKOAQIB-UHFFFAOYSA-N 0 0 443.500 2.818 50 0 IFAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)cc1Cl ZINC000012706023 524483949 /nfs/dbraw/zinc/48/39/49/524483949.db2.gz OETHVHXHEIRDGY-CQSZACIVSA-N 0 0 434.924 2.914 50 0 IFAARN COc1ccc(NC(=O)CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)cc1OC ZINC000021531359 524493515 /nfs/dbraw/zinc/49/35/15/524493515.db2.gz IRNJKQXCBOTRER-UHFFFAOYSA-N 0 0 447.557 2.712 50 0 IFAARN COc1ccc(NC(=O)CNC2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)cc1OC ZINC000015735715 524497515 /nfs/dbraw/zinc/49/75/15/524497515.db2.gz QOJSHSPHMPKIKR-UHFFFAOYSA-N 0 0 433.461 2.544 50 0 IFAARN COc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c(OC)c1 ZINC000021871778 524522257 /nfs/dbraw/zinc/52/22/57/524522257.db2.gz XCXXFRGSABSTIV-AWEZNQCLSA-N 0 0 446.525 2.804 50 0 IFAARN Cc1ccc(CNC(=O)NCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000024178921 524524786 /nfs/dbraw/zinc/52/47/86/524524786.db2.gz FEGAGMDQKROLAW-UHFFFAOYSA-N 0 0 432.927 2.931 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)cc1Cl ZINC000012371113 524526796 /nfs/dbraw/zinc/52/67/96/524526796.db2.gz ATRURXVTCVEPAC-UHFFFAOYSA-N 0 0 436.855 2.848 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c(OC)c1 ZINC000012237777 524530561 /nfs/dbraw/zinc/53/05/61/524530561.db2.gz FPULAAVRAKWEGX-UHFFFAOYSA-N 0 0 433.468 2.855 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c2cccnc2n(Cc2ccccc2)c(=O)c1=O ZINC000035450096 524530804 /nfs/dbraw/zinc/53/08/04/524530804.db2.gz YPSPJULRZIWPHD-IBGZPJMESA-N 0 0 442.519 2.744 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)cc1OC ZINC000012228299 524532660 /nfs/dbraw/zinc/53/26/60/524532660.db2.gz IHEXSFYBLXVUTA-UHFFFAOYSA-N 0 0 437.431 2.686 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)CC2)c1 ZINC000021965576 524545249 /nfs/dbraw/zinc/54/52/49/524545249.db2.gz GORWZXYMMZQPOG-KOSHJBKYSA-N 0 0 426.561 2.780 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4nsnc43)C[C@H]2C)c1 ZINC000020848228 524546503 /nfs/dbraw/zinc/54/65/03/524546503.db2.gz JRBBWZOFXSWXEG-MRXNPFEDSA-N 0 0 444.582 2.901 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)[C@H](C)CS4(=O)=O)cc3)CC2)c1C ZINC000015842778 524549809 /nfs/dbraw/zinc/54/98/09/524549809.db2.gz XUIDZWHKIZFFTF-QGZVFWFLSA-N 0 0 441.553 2.578 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)CC1 ZINC000035405016 524560264 /nfs/dbraw/zinc/56/02/64/524560264.db2.gz MZHVRTNRFZYYQL-UHFFFAOYSA-N 0 0 435.571 2.504 50 0 IFAARN Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1C ZINC000012807230 524586502 /nfs/dbraw/zinc/58/65/02/524586502.db2.gz CSGIYIZVQGITPV-UHFFFAOYSA-N 0 0 429.542 2.799 50 0 IFAARN COc1ccccc1NC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@H]2C1=O ZINC000035445570 524595682 /nfs/dbraw/zinc/59/56/82/524595682.db2.gz XJJPXEYNRKVIPI-IBGZPJMESA-N 0 0 436.512 2.741 50 0 IFAARN Cc1cccc(NC(=O)CSc2ncc(CO)n2CC(=O)NCc2ccc(F)cc2)c1 ZINC000017135350 524605287 /nfs/dbraw/zinc/60/52/87/524605287.db2.gz XAXTWLMZBWMPFI-UHFFFAOYSA-N 0 0 442.516 2.870 50 0 IFAARN Cc1ccc(COc2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c(CO)cc2=O)cc1 ZINC000012231209 524631237 /nfs/dbraw/zinc/63/12/37/524631237.db2.gz OHZVUDGESOHMCS-UHFFFAOYSA-N 0 0 436.464 2.638 50 0 IFAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c(OC)c1 ZINC000012561804 524638020 /nfs/dbraw/zinc/63/80/20/524638020.db2.gz ZXYBHXTWLFKETA-GJZGRUSLSA-N 0 0 434.514 2.754 50 0 IFAARN COc1ccc(NC(=O)c2nnc(C(=O)NCc3ccc(OC)c(OC)c3)s2)cc1 ZINC000033060188 524656294 /nfs/dbraw/zinc/65/62/94/524656294.db2.gz SKNPEJRHIKOXGE-UHFFFAOYSA-N 0 0 428.470 2.746 50 0 IFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)NCc3cccc(F)c3)s2)cc1 ZINC000032987420 524657977 /nfs/dbraw/zinc/65/79/77/524657977.db2.gz BNCQWFPFDVHEJU-UHFFFAOYSA-N 0 0 430.461 2.771 50 0 IFAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CNC(=O)C(=O)NCc2ccccc2)c1 ZINC000012815010 524662631 /nfs/dbraw/zinc/66/26/31/524662631.db2.gz YUKGRPFIQHOMRV-UHFFFAOYSA-N 0 0 444.491 2.618 50 0 IFAARN COc1ccccc1OC[C@@H]1CN(C(=O)Cc2ccc(OC)c(OC)c2OC)CCO1 ZINC000022643443 524680594 /nfs/dbraw/zinc/68/05/94/524680594.db2.gz XTTZQBJHISRAKN-KRWDZBQOSA-N 0 0 431.485 2.570 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000035402654 524693651 /nfs/dbraw/zinc/69/36/51/524693651.db2.gz IJSRZRODMUWUGZ-UHFFFAOYSA-N 0 0 428.507 2.810 50 0 IFAARN Cc1ccc(Cc2nc3c(nnn3Cn3nnc(-c4ccc(Cl)cc4)n3)c(=O)[nH]2)cc1 ZINC000020443895 524694346 /nfs/dbraw/zinc/69/43/46/524694346.db2.gz CPTGOBPWDYMZHI-UHFFFAOYSA-N 0 0 433.863 2.639 50 0 IFAARN COc1ccc(N[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N(C)C ZINC000018942459 524699804 /nfs/dbraw/zinc/69/98/04/524699804.db2.gz XWSVOFNXXLKAAV-HIGJEIRPSA-N 0 0 435.590 2.831 50 0 IFAARN Cc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C\N[C@H]2CCS(=O)(=O)C2)C1=O ZINC000020533173 524730259 /nfs/dbraw/zinc/73/02/59/524730259.db2.gz WXEOBIUYQUXUGG-LZNAANCOSA-N 0 0 430.913 2.953 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000012537724 524742082 /nfs/dbraw/zinc/74/20/82/524742082.db2.gz GEFKMJWBYOALQW-FQEVSTJZSA-N 0 0 429.904 2.713 50 0 IFAARN Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NCCCc3ccccc3)c3cccnc32)cc1 ZINC000035450295 524761211 /nfs/dbraw/zinc/76/12/11/524761211.db2.gz QLOOPPGVJFANPY-UHFFFAOYSA-N 0 0 442.519 2.664 50 0 IFAARN COc1ccccc1[C@@]1(CC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)CC(=O)N(C)C1=O ZINC000012205428 524766367 /nfs/dbraw/zinc/76/63/67/524766367.db2.gz IHCDOGCRNNKROT-SIBVEZHUSA-N 0 0 448.519 2.833 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC3CC3)no2)c1 ZINC000036014799 524790848 /nfs/dbraw/zinc/79/08/48/524790848.db2.gz MNUZMLCGILHDHA-LJQANCHMSA-N 0 0 435.480 2.979 50 0 IFAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)C2=NNC(=O)CC2)C3)c1 ZINC000012218545 524790989 /nfs/dbraw/zinc/79/09/89/524790989.db2.gz CWULPPFAEVNPRR-HNNXBMFYSA-N 0 0 443.887 2.710 50 0 IFAARN COc1ccccc1[C@]1(CC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)CC(=O)N(C)C1=O ZINC000012205437 524820962 /nfs/dbraw/zinc/82/09/62/524820962.db2.gz IHCDOGCRNNKROT-AFMDSPMNSA-N 0 0 448.519 2.833 50 0 IFAARN Cc1cc(Cl)c(C(C)C)cc1OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000024039192 524847329 /nfs/dbraw/zinc/84/73/29/524847329.db2.gz LJPQSEJASFPGQH-CYBMUJFWSA-N 0 0 426.922 2.843 50 0 IFAARN COc1ccc(OC)c(NC(=O)NC2CCN(c3nc4ccccc4n(C)c3=O)CC2)c1 ZINC000033169707 524860464 /nfs/dbraw/zinc/86/04/64/524860464.db2.gz KZTOCWARYPOZEU-UHFFFAOYSA-N 0 0 437.500 2.741 50 0 IFAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000012924087 524914834 /nfs/dbraw/zinc/91/48/34/524914834.db2.gz VAUIOQRTRUZJGD-HNNXBMFYSA-N 0 0 448.516 2.875 50 0 IFAARN Cc1cccc2c(=O)n(CCC(=O)NCCc3cc(Cl)c4c(c3)OCCO4)cnc12 ZINC000014342772 524925510 /nfs/dbraw/zinc/92/55/10/524925510.db2.gz DSJDOZJPTYRUGN-UHFFFAOYSA-N 0 0 427.888 2.879 50 0 IFAARN COc1ccc(OCC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1 ZINC000035534547 524929866 /nfs/dbraw/zinc/92/98/66/524929866.db2.gz JWTHVCLMVAOVHI-UHFFFAOYSA-N 0 0 448.523 2.586 50 0 IFAARN COc1ccc(OCCN2CCN(C(=O)c3nc(C)n(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000018121397 524954275 /nfs/dbraw/zinc/95/42/75/524954275.db2.gz RMVMBBDIALSEKE-UHFFFAOYSA-N 0 0 439.491 2.560 50 0 IFAARN Cc1ccc(N2CCN(C(=O)CCC3=NS(=O)(=O)c4ccccc4N3)CC2)c(C)c1 ZINC000021880488 524959616 /nfs/dbraw/zinc/95/96/16/524959616.db2.gz TYXWNOLKSWJCMR-UHFFFAOYSA-N 0 0 426.542 2.945 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4nc(C)cc(C)n4)CC3)CC2=O)cc1 ZINC000021449466 524977983 /nfs/dbraw/zinc/97/79/83/524977983.db2.gz MIWMLCDDOSUQHX-IBGZPJMESA-N 0 0 435.528 2.632 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000021116835 524988085 /nfs/dbraw/zinc/98/80/85/524988085.db2.gz VXMZSVQVNIMMMQ-AWEZNQCLSA-N 0 0 426.498 2.601 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)n1CCC(N)=O ZINC000012750719 524990347 /nfs/dbraw/zinc/99/03/47/524990347.db2.gz CDBRERGJBRMPDF-ZDUSSCGKSA-N 0 0 427.555 2.952 50 0 IFAARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000016442466 524992365 /nfs/dbraw/zinc/99/23/65/524992365.db2.gz GGUPZKPDTKCBIA-HNNXBMFYSA-N 0 0 449.960 2.751 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCSCc2cccs2)cc1 ZINC000012887590 525031816 /nfs/dbraw/zinc/03/18/16/525031816.db2.gz AJPUGGHMMIZQKM-GOSISDBHSA-N 0 0 440.612 2.959 50 0 IFAARN Cc1ccccc1-n1ncc2c1c(=O)n(CC(=O)N1CCN(c3ccccc3)CC1)nc2C ZINC000012228465 525033030 /nfs/dbraw/zinc/03/30/30/525033030.db2.gz NMJJBYBQOHUALU-UHFFFAOYSA-N 0 0 442.523 2.548 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000012690092 525037498 /nfs/dbraw/zinc/03/74/98/525037498.db2.gz KRDMRCLJBGNRIZ-UHFFFAOYSA-N 0 0 432.586 2.787 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 ZINC000012792975 525042680 /nfs/dbraw/zinc/04/26/80/525042680.db2.gz ZIEPVCRPJZGAQQ-UHFFFAOYSA-N 0 0 429.542 2.799 50 0 IFAARN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000012691758 525045829 /nfs/dbraw/zinc/04/58/29/525045829.db2.gz AVEDIJDRYFWVJL-UHFFFAOYSA-N 0 0 441.553 2.927 50 0 IFAARN Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCc1ccccc1Cl ZINC000011904725 525050458 /nfs/dbraw/zinc/05/04/58/525050458.db2.gz WJRDEBDNZDKHSV-UHFFFAOYSA-N 0 0 442.946 2.502 50 0 IFAARN Cc1ccc(NC(=O)CN2CCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000012754059 525052373 /nfs/dbraw/zinc/05/23/73/525052373.db2.gz KMQZTWRSVMECFN-UHFFFAOYSA-N 0 0 442.947 2.551 50 0 IFAARN Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1F ZINC000012870759 525053023 /nfs/dbraw/zinc/05/30/23/525053023.db2.gz CGDDCVJGYJEHDQ-UHFFFAOYSA-N 0 0 431.533 2.568 50 0 IFAARN C[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C[C@@H](C)O1 ZINC000015188656 525060096 /nfs/dbraw/zinc/06/00/96/525060096.db2.gz XUFWPLOWDHKXCA-GPCCPHFNSA-N 0 0 446.139 2.953 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCCC2)cc1OC ZINC000012197430 525061352 /nfs/dbraw/zinc/06/13/52/525061352.db2.gz PNUZHDMHKUQOIT-KRWDZBQOSA-N 0 0 434.514 2.548 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@H]2COc3ccc(Br)cc3C2)cc1OC ZINC000032998283 525076883 /nfs/dbraw/zinc/07/68/83/525076883.db2.gz FPLJEVBTWUCXQZ-CYBMUJFWSA-N 0 0 428.304 2.748 50 0 IFAARN C[C@@H]1CN2C(=O)Cc3c2c(ccc3S(=O)(=O)N2CCN(Cc3ccccc3)CC2)S1 ZINC000020530282 525077404 /nfs/dbraw/zinc/07/74/04/525077404.db2.gz MNOBKGJNWCMBEZ-MRXNPFEDSA-N 0 0 443.594 2.576 50 0 IFAARN C[C@H]1Sc2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)cc2NC1=O ZINC000020578058 525078182 /nfs/dbraw/zinc/07/81/82/525078182.db2.gz MLNVZTOCVCJJCL-CYBMUJFWSA-N 0 0 437.587 2.579 50 0 IFAARN COc1ccc(SCCC(=O)N2CCN(CC(=O)N(C)c3ccccc3)CC2)cc1 ZINC000035601017 525102365 /nfs/dbraw/zinc/10/23/65/525102365.db2.gz ZXIXUWHSQPUFCJ-UHFFFAOYSA-N 0 0 427.570 2.985 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c(N4CCSCC4)nc4ccccc4n3c2=O)c(C)c1 ZINC000035425835 525106945 /nfs/dbraw/zinc/10/69/45/525106945.db2.gz RPXNSHRMJQXPNJ-UHFFFAOYSA-N 0 0 448.552 2.853 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)cc1F ZINC000035375700 525107103 /nfs/dbraw/zinc/10/71/03/525107103.db2.gz VBXCGIYYILLTLG-UHFFFAOYSA-N 0 0 439.466 2.795 50 0 IFAARN C[C@@H](NC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21)c1nc2ccccc2[nH]1 ZINC000020987079 525124752 /nfs/dbraw/zinc/12/47/52/525124752.db2.gz RVIIRWKXHHCRQV-CYBMUJFWSA-N 0 0 445.508 2.930 50 0 IFAARN Cc1cc(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3N3CCCC[C@@H]3C2=O)no1 ZINC000035445881 525144428 /nfs/dbraw/zinc/14/44/28/525144428.db2.gz OFGXYTRHQIZNHX-GOSISDBHSA-N 0 0 437.500 2.563 50 0 IFAARN Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nnc(SCC(N)=O)s2)c(C)c1 ZINC000022762123 525150502 /nfs/dbraw/zinc/15/05/02/525150502.db2.gz ALQFBAQAYQHPDW-JTQLQIEISA-N 0 0 425.561 2.561 50 0 IFAARN Cc1cc(NC(=O)Cc2cccs2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 ZINC000012444297 525164534 /nfs/dbraw/zinc/16/45/34/525164534.db2.gz NJKQXLQOMXQKMK-UHFFFAOYSA-N 0 0 431.481 2.846 50 0 IFAARN Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OC[C@H](C(=O)N1CCCCC1)O2 ZINC000020989708 525168085 /nfs/dbraw/zinc/16/80/85/525168085.db2.gz XSDDBSGVUGKRQX-OAQYLSRUSA-N 0 0 430.526 2.626 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(C(=O)Cn3cnc4sc5c(c4c3=O)CCC5)ccc21 ZINC000022985517 525172785 /nfs/dbraw/zinc/17/27/85/525172785.db2.gz ZNCKNVDUTDACNX-UHFFFAOYSA-N 0 0 443.550 2.542 50 0 IFAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000012891542 525232924 /nfs/dbraw/zinc/23/29/24/525232924.db2.gz KSZOGWGCLQGFJB-INIZCTEOSA-N 0 0 425.514 2.543 50 0 IFAARN C[C@]1(C2CCN(C(=O)C=Cc3cccnc3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000012212531 525239399 /nfs/dbraw/zinc/23/93/99/525239399.db2.gz HKPCGQMNKUCZHF-CCWPHWCFSA-N 0 0 436.487 2.983 50 0 IFAARN CS(=O)(=O)c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)c(S(C)(=O)=O)c1 ZINC000016311148 525257679 /nfs/dbraw/zinc/25/76/79/525257679.db2.gz WEQRKRZLZXNTFS-KRWDZBQOSA-N 0 0 426.560 2.726 50 0 IFAARN COc1ccc([C@@H]2N(C(=O)CN3CCCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012867462 525265731 /nfs/dbraw/zinc/26/57/31/525265731.db2.gz GDGQPSDKTDWXQH-HSZRJFAPSA-N 0 0 443.569 2.631 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)sc2c1 ZINC000016678044 525266667 /nfs/dbraw/zinc/26/66/67/525266667.db2.gz DAZMVPXIRDIQEO-UHFFFAOYSA-N 0 0 428.495 2.508 50 0 IFAARN C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000012747868 525274102 /nfs/dbraw/zinc/27/41/02/525274102.db2.gz QERNFLLOSBNIMO-ZDUSSCGKSA-N 0 0 428.489 2.639 50 0 IFAARN CS(=O)(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1 ZINC000012599204 525278110 /nfs/dbraw/zinc/27/81/10/525278110.db2.gz JTHFIHWPYDUZCG-UHFFFAOYSA-N 0 0 429.527 2.809 50 0 IFAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 ZINC000012547779 525283178 /nfs/dbraw/zinc/28/31/78/525283178.db2.gz FTFYSZRXZOVCDD-VOIUYBSRSA-N 0 0 447.495 2.525 50 0 IFAARN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(-n2cncn2)cc1 ZINC000012599140 525291165 /nfs/dbraw/zinc/29/11/65/525291165.db2.gz LGIBRBFWJYZQRQ-WBVHZDCISA-N 0 0 445.570 2.607 50 0 IFAARN C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COc2cccc(Br)c2)C1=O ZINC000012874982 525319596 /nfs/dbraw/zinc/31/95/96/525319596.db2.gz HBDNFYDUHOMSDI-DNVCBOLYSA-N 0 0 437.265 2.795 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O ZINC000013128389 525319791 /nfs/dbraw/zinc/31/97/91/525319791.db2.gz IZRVOGUCJWOHCI-KBMIEXCESA-N 0 0 449.507 2.809 50 0 IFAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(S(=O)(=O)N3CCCCCC3)c1)CS2 ZINC000023078638 525343564 /nfs/dbraw/zinc/34/35/64/525343564.db2.gz GLLRPKSCHOSPGI-PXNSSMCTSA-N 0 0 437.587 2.644 50 0 IFAARN COc1ccc([C@H](CC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)NC(C)=O)cc1 ZINC000022305135 525345847 /nfs/dbraw/zinc/34/58/47/525345847.db2.gz IXGMUYSZOBZELX-AVYPCKFXSA-N 0 0 446.573 2.967 50 0 IFAARN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012548409 525358056 /nfs/dbraw/zinc/35/80/56/525358056.db2.gz FBBPETIDHUSDPS-CYBMUJFWSA-N 0 0 431.445 2.977 50 0 IFAARN COc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c2nccn2C)cc1 ZINC000012520549 525369160 /nfs/dbraw/zinc/36/91/60/525369160.db2.gz SUCNSQZWGMKELD-REWPJTCUSA-N 0 0 432.524 2.991 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccccc3)c2)C1 ZINC000012591926 525387190 /nfs/dbraw/zinc/38/71/90/525387190.db2.gz VMSMRVWPZXGPGV-HDICACEKSA-N 0 0 444.553 2.826 50 0 IFAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1Cl ZINC000012861026 525395034 /nfs/dbraw/zinc/39/50/34/525395034.db2.gz JWBKJFVKEKZHIO-UHFFFAOYSA-N 0 0 437.949 2.748 50 0 IFAARN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 ZINC000016474464 525405781 /nfs/dbraw/zinc/40/57/81/525405781.db2.gz STRSDUPNPOKEMT-UHFFFAOYSA-N 0 0 445.585 2.657 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000022285345 525408275 /nfs/dbraw/zinc/40/82/75/525408275.db2.gz JYZTWGJDXDYMDD-OAQYLSRUSA-N 0 0 430.526 2.930 50 0 IFAARN Cc1[nH]c(C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)c1C(=O)OC(C)C ZINC000022307352 525414068 /nfs/dbraw/zinc/41/40/68/525414068.db2.gz WBRQPBRLIZRISB-UHFFFAOYSA-N 0 0 429.473 2.694 50 0 IFAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCC3=O)cc2)ccc1F ZINC000022461985 525419750 /nfs/dbraw/zinc/41/97/50/525419750.db2.gz IOEVPANYTMVXGS-UHFFFAOYSA-N 0 0 433.505 2.677 50 0 IFAARN Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000012773051 525420806 /nfs/dbraw/zinc/42/08/06/525420806.db2.gz SOEBSWUMLFCGOK-UHFFFAOYSA-N 0 0 437.949 2.743 50 0 IFAARN Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000012851882 525421770 /nfs/dbraw/zinc/42/17/70/525421770.db2.gz OYRCTMKZOPEGNE-UHFFFAOYSA-N 0 0 437.949 2.743 50 0 IFAARN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000020726086 525447559 /nfs/dbraw/zinc/44/75/59/525447559.db2.gz SVLVSWGCULQKJA-RBBKRZOGSA-N 0 0 435.480 2.586 50 0 IFAARN Cc1nc2[nH]c(NCc3ccccc3)nn2c(=O)c1CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000021803940 525449441 /nfs/dbraw/zinc/44/94/41/525449441.db2.gz MJSZNDUJLAHNRW-UHFFFAOYSA-N 0 0 445.527 2.975 50 0 IFAARN Cc1ccc(OCc2nnc(SCC(=O)NC(=O)Nc3ccccc3F)n2N)c(C)c1 ZINC000012696368 525451596 /nfs/dbraw/zinc/45/15/96/525451596.db2.gz LBQVVLYNPRQMCQ-UHFFFAOYSA-N 0 0 444.492 2.767 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n(-c2cc(C)ccc2C)c1=O ZINC000020611475 525483131 /nfs/dbraw/zinc/48/31/31/525483131.db2.gz DYJMVMDMLFIWED-OAQYLSRUSA-N 0 0 432.480 2.573 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C)cc1)CC3 ZINC000012478648 525485128 /nfs/dbraw/zinc/48/51/28/525485128.db2.gz FYRYLIIVECLRKR-DEOSSOPVSA-N 0 0 446.551 2.760 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(-c2ccc(C)cc2C)c1=O ZINC000020610887 525485414 /nfs/dbraw/zinc/48/54/14/525485414.db2.gz OVAWTBPTWMJYQS-NRFANRHFSA-N 0 0 432.480 2.573 50 0 IFAARN Cc1c(-c2ccc(C)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000035684963 525505732 /nfs/dbraw/zinc/50/57/32/525505732.db2.gz JOGAPMYSKLYWIY-KRWDZBQOSA-N 0 0 439.497 2.986 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)NC3CCCCC3)CC2)cc1 ZINC000009628431 525520538 /nfs/dbraw/zinc/52/05/38/525520538.db2.gz XBQSSFPQVDWKBQ-QGZVFWFLSA-N 0 0 436.574 2.776 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(C)c3ccccc3)CC2)cc1C ZINC000021816165 525520924 /nfs/dbraw/zinc/52/09/24/525520924.db2.gz NCZSBALEOWOLOZ-UHFFFAOYSA-N 0 0 444.553 2.910 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(-n4cncn4)cc3)C2)s1 ZINC000012924031 525534903 /nfs/dbraw/zinc/53/49/03/525534903.db2.gz RYVNEKZBYFJFOK-HNNXBMFYSA-N 0 0 431.543 2.677 50 0 IFAARN COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCCN1CCN(c2ccccc2F)CC1 ZINC000021634341 525536267 /nfs/dbraw/zinc/53/62/67/525536267.db2.gz LMLGFKIUMIUFCC-UHFFFAOYSA-N 0 0 449.530 2.875 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c(C)c1 ZINC000012906694 525541923 /nfs/dbraw/zinc/54/19/23/525541923.db2.gz YAQWKDCWEMESDX-UHFFFAOYSA-N 0 0 445.629 2.695 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCO[C@H](C)c1ccccc1 ZINC000012870960 525545388 /nfs/dbraw/zinc/54/53/88/525545388.db2.gz SPRJONXHRBYGNK-LJQANCHMSA-N 0 0 446.569 2.914 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)Cc2ccc(F)cc2)CC3)cc1 ZINC000020614731 525547179 /nfs/dbraw/zinc/54/71/79/525547179.db2.gz MUBYWPXFLHNKOI-UHFFFAOYSA-N 0 0 432.517 2.716 50 0 IFAARN Cc1c(C(=O)N(C)C[C@H]2COCCO2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012125617 525556176 /nfs/dbraw/zinc/55/61/76/525556176.db2.gz RLYXJFHXELBBHC-IBGZPJMESA-N 0 0 433.512 2.614 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCn2ncc3c2ncnc3NCCc2ccccc2)cc1 ZINC000035598429 525573387 /nfs/dbraw/zinc/57/33/87/525573387.db2.gz XXLXVQWUZWBFTH-UHFFFAOYSA-N 0 0 436.541 2.768 50 0 IFAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cnn1-c1ccccc1 ZINC000012927003 525582402 /nfs/dbraw/zinc/58/24/02/525582402.db2.gz QAAQBNSUFBGPBW-UHFFFAOYSA-N 0 0 444.944 2.981 50 0 IFAARN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccs2)N(CCN2CCOCC2)C1=O ZINC000020567092 525609336 /nfs/dbraw/zinc/60/93/36/525609336.db2.gz BPWLHZSRVCYLMS-IBGZPJMESA-N 0 0 426.494 2.741 50 0 IFAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccc(F)c4)C3)cc2NC1=O ZINC000035219971 525611164 /nfs/dbraw/zinc/61/11/64/525611164.db2.gz ZONFMHGMIPRUAS-KBPBESRZSA-N 0 0 447.488 2.585 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC3CCCCC3)C1)O[C@H](C)C(=O)N2 ZINC000035379067 525614648 /nfs/dbraw/zinc/61/46/48/525614648.db2.gz UFFFYNPFUARUKD-HZPDHXFCSA-N 0 0 449.573 2.564 50 0 IFAARN C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000022283865 525614917 /nfs/dbraw/zinc/61/49/17/525614917.db2.gz KYDGJBXCIQKVRZ-HNNXBMFYSA-N 0 0 448.445 2.953 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc3ccccc3)C1)O[C@H](C)C(=O)N2 ZINC000035379208 525616598 /nfs/dbraw/zinc/61/65/98/525616598.db2.gz ALXATKYVVOZKMK-CVEARBPZSA-N 0 0 443.525 2.754 50 0 IFAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@H]1CCCO1)N(Cc1cccnc1)C3=O ZINC000021859786 525645038 /nfs/dbraw/zinc/64/50/38/525645038.db2.gz SKMPWRQMZLJOPA-NLFFAJNJSA-N 0 0 448.523 2.755 50 0 IFAARN Cc1ccoc1C(=O)N1CC(=O)N(Cc2csc(C)n2)C[C@H](OCc2ccccn2)C1 ZINC000014540470 525777825 /nfs/dbraw/zinc/77/78/25/525777825.db2.gz UCFLFUMSWAGCGI-IBGZPJMESA-N 0 0 440.525 2.818 50 0 IFAARN Cc1ccc(-c2csc(SCC(=O)N3CCN(CC(=O)N4CCCC4)CC3)n2)cc1 ZINC000035413552 525783872 /nfs/dbraw/zinc/78/38/72/525783872.db2.gz KBRIPABYPMWXHD-UHFFFAOYSA-N 0 0 444.626 2.977 50 0 IFAARN COc1cccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c1 ZINC000015475312 525801464 /nfs/dbraw/zinc/80/14/64/525801464.db2.gz DNWOGQOCYIUASH-UHFFFAOYSA-N 0 0 438.553 2.830 50 0 IFAARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1OC ZINC000012749259 525803528 /nfs/dbraw/zinc/80/35/28/525803528.db2.gz GNDWTXABHXYVHF-UHFFFAOYSA-N 0 0 444.553 2.729 50 0 IFAARN Cc1ccc(-c2nc3n(n2)c(=O)c2c(n3CC(=O)NCc3ccccc3F)CCC2)cc1 ZINC000033324806 525828223 /nfs/dbraw/zinc/82/82/23/525828223.db2.gz GNPWRCMAVNHORX-UHFFFAOYSA-N 0 0 431.471 2.811 50 0 IFAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000021873721 525870460 /nfs/dbraw/zinc/87/04/60/525870460.db2.gz UUDSPPYZIKGHOR-HSZRJFAPSA-N 0 0 440.931 2.764 50 0 IFAARN Cc1c(O)ccc2c(C)c(CCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(=O)oc12 ZINC000012890813 525878494 /nfs/dbraw/zinc/87/84/94/525878494.db2.gz CXOCPHOCIPYECK-SJORKVTESA-N 0 0 434.492 2.856 50 0 IFAARN Cc1c(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cnn1C(F)F ZINC000035483191 525885580 /nfs/dbraw/zinc/88/55/80/525885580.db2.gz NHQNKVGASKRWCV-UHFFFAOYSA-N 0 0 434.472 2.555 50 0 IFAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000012592930 525889300 /nfs/dbraw/zinc/88/93/00/525889300.db2.gz TXZCRROSTFUWHI-IBGZPJMESA-N 0 0 448.266 2.569 50 0 IFAARN C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000012802445 525893200 /nfs/dbraw/zinc/89/32/00/525893200.db2.gz PFMFUTWPFBAVKU-NRFANRHFSA-N 0 0 449.858 2.938 50 0 IFAARN C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012551757 525894975 /nfs/dbraw/zinc/89/49/75/525894975.db2.gz UQTIOYVHKAPHSY-OAHLLOKOSA-N 0 0 431.514 2.508 50 0 IFAARN C[C@@H](OC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012628246 525896697 /nfs/dbraw/zinc/89/66/97/525896697.db2.gz NLOSVPJPGPBNGW-CQSZACIVSA-N 0 0 442.497 2.531 50 0 IFAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000012679144 525903134 /nfs/dbraw/zinc/90/31/34/525903134.db2.gz ZIQBVWPFPWFONG-CLOONOSVSA-N 0 0 449.507 2.979 50 0 IFAARN COc1cccc(CNC(=O)Cn2cnc3c(-c4ccccc4)nsc3c2=O)c1OC ZINC000033299979 525977963 /nfs/dbraw/zinc/97/79/63/525977963.db2.gz PTTQRVQZGVLGIO-UHFFFAOYSA-N 0 0 436.493 2.854 50 0 IFAARN C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1sc2ccccc2c1=O ZINC000020467336 525982902 /nfs/dbraw/zinc/98/29/02/525982902.db2.gz PVDXDHPUXQLYRV-OAHLLOKOSA-N 0 0 425.510 2.697 50 0 IFAARN CSc1ccc(CNC(=O)Cn2c3cccnc3n(Cc3ccccc3)c(=O)c2=O)cc1 ZINC000035450178 525995442 /nfs/dbraw/zinc/99/54/42/525995442.db2.gz IDZSMMDWSHSVRG-UHFFFAOYSA-N 0 0 446.532 2.645 50 0 IFAARN C[C@H](Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)C(=O)NCc1cccs1 ZINC000012809756 526001245 /nfs/dbraw/zinc/00/12/45/526001245.db2.gz FRHIBCRKAGGDGK-JTQLQIEISA-N 0 0 443.554 2.551 50 0 IFAARN C[C@@H](c1ccccc1)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000018125011 526081391 /nfs/dbraw/zinc/08/13/91/526081391.db2.gz YUVYBXPTYUNMRO-INIZCTEOSA-N 0 0 428.558 2.976 50 0 IFAARN C[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000035436351 526094534 /nfs/dbraw/zinc/09/45/34/526094534.db2.gz ADORENBWWCNFAZ-VQTJNVASSA-N 0 0 429.586 2.519 50 0 IFAARN C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012867714 526139346 /nfs/dbraw/zinc/13/93/46/526139346.db2.gz KJNHTFQCNLRVHS-OAHLLOKOSA-N 0 0 439.940 2.954 50 0 IFAARN C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035400193 526140916 /nfs/dbraw/zinc/14/09/16/526140916.db2.gz MXGCXHDQPCOGSY-GFCCVEGCSA-N 0 0 431.942 2.874 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000012776626 526170963 /nfs/dbraw/zinc/17/09/63/526170963.db2.gz ZJTFGTCFGVDNJE-UHFFFAOYSA-N 0 0 428.286 2.768 50 0 IFAARN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012913398 526173788 /nfs/dbraw/zinc/17/37/88/526173788.db2.gz CIGXYNNYNKCELN-AWEZNQCLSA-N 0 0 432.933 2.644 50 0 IFAARN Cc1cc(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1nccs1 ZINC000022088949 526202239 /nfs/dbraw/zinc/20/22/39/526202239.db2.gz IQEQNNLSLJQBJW-UHFFFAOYSA-N 0 0 447.538 2.825 50 0 IFAARN CSc1nc(C)c(CCC(=O)Nc2ccccc2I)c(=O)[nH]1 ZINC000012928898 526211544 /nfs/dbraw/zinc/21/15/44/526211544.db2.gz SDJFXWKXYWHYKH-UHFFFAOYSA-N 0 0 429.283 2.976 50 0 IFAARN COc1cccc(Nc2nc(N3CCN(C(=O)c4ccco4)CC3)nc3c2cnn3C)c1 ZINC000021928441 526213161 /nfs/dbraw/zinc/21/31/61/526213161.db2.gz PUWPKQSHNLTCRS-UHFFFAOYSA-N 0 0 433.472 2.671 50 0 IFAARN Cc1ccc(C(=O)[C@H](NC(=O)c2cccs2)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002995513 526240811 /nfs/dbraw/zinc/24/08/11/526240811.db2.gz PMEUTMTXQIVWDZ-IBGZPJMESA-N 0 0 429.523 2.755 50 0 IFAARN COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC000012897872 526241821 /nfs/dbraw/zinc/24/18/21/526241821.db2.gz RMKWQVOESYDEPM-UHFFFAOYSA-N 0 0 435.358 2.995 50 0 IFAARN Cc1nn(CCC(=O)N[C@H](C)CCc2ccccc2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029127 526278367 /nfs/dbraw/zinc/27/83/67/526278367.db2.gz JESIYCMVYLOKGP-QGZVFWFLSA-N 0 0 432.590 2.812 50 0 IFAARN O=C(C1CC1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@@H]1CCCO1)C1CC1 ZINC000036031056 526282750 /nfs/dbraw/zinc/28/27/50/526282750.db2.gz ZVUOEBCDUNRLPO-NRFANRHFSA-N 0 0 443.569 2.937 50 0 IFAARN O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000012550782 526301020 /nfs/dbraw/zinc/30/10/20/526301020.db2.gz OQUXNLFPPWDPCK-PDEJURLFSA-N 0 0 429.885 2.891 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057286399 526304528 /nfs/dbraw/zinc/30/45/28/526304528.db2.gz NCMVDKAWGQTRRX-IRLDBZIGSA-N 0 0 444.601 2.655 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000012568038 526307537 /nfs/dbraw/zinc/30/75/37/526307537.db2.gz NCMVDKAWGQTRRX-RBBKRZOGSA-N 0 0 444.601 2.655 50 0 IFAARN O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000020720142 526315847 /nfs/dbraw/zinc/31/58/47/526315847.db2.gz LMYDZORLJUCMDX-NRFANRHFSA-N 0 0 428.439 2.828 50 0 IFAARN O=C(NCCN1CCOCC1)[C@@H]1CS[C@@H](C2CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000035703460 526318329 /nfs/dbraw/zinc/31/83/29/526318329.db2.gz ZCYDSXBWKHQGTE-REWPJTCUSA-N 0 0 449.592 2.738 50 0 IFAARN O=C(NCCN1CCS(=O)(=O)CC1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000040088547 526322418 /nfs/dbraw/zinc/32/24/18/526322418.db2.gz MXWHFCOTILQMLZ-UHFFFAOYSA-N 0 0 431.539 2.530 50 0 IFAARN O=C(NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)cc1Cl ZINC000020745495 526327505 /nfs/dbraw/zinc/32/75/05/526327505.db2.gz SMVYNXZDFSMRFB-OAHLLOKOSA-N 0 0 434.323 2.888 50 0 IFAARN O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cc(-c2ccco2)on1 ZINC000042379829 526360158 /nfs/dbraw/zinc/36/01/58/526360158.db2.gz FQUZNPBBJODWJK-UHFFFAOYSA-N 0 0 434.387 2.987 50 0 IFAARN Cc1nnc(SCC(=O)N2CCc3c(cc(Cc4ccccc4F)c(=O)n3C)C2)s1 ZINC000020601123 526379334 /nfs/dbraw/zinc/37/93/34/526379334.db2.gz QPVVYFLIACSNJF-UHFFFAOYSA-N 0 0 444.557 2.952 50 0 IFAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1F ZINC000016689716 526386795 /nfs/dbraw/zinc/38/67/95/526386795.db2.gz IWWSUFMDAAMHNB-CQSZACIVSA-N 0 0 439.534 2.575 50 0 IFAARN Cc1nnc(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)n1-c1cccc(C)c1 ZINC000012552785 526387684 /nfs/dbraw/zinc/38/76/84/526387684.db2.gz GTYBYQKSGJGAGX-INIZCTEOSA-N 0 0 439.541 2.942 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026649 526394824 /nfs/dbraw/zinc/39/48/24/526394824.db2.gz KMJIWPBWLBFBAW-INIZCTEOSA-N 0 0 438.557 2.722 50 0 IFAARN O=C(NCCc1ccc(Br)s1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 ZINC000014810171 526401435 /nfs/dbraw/zinc/40/14/35/526401435.db2.gz CHVJTHZXCODQSA-UHFFFAOYSA-N 0 0 432.365 2.596 50 0 IFAARN O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000012582594 526402471 /nfs/dbraw/zinc/40/24/71/526402471.db2.gz WNPMWIDAIIIMBJ-KRWDZBQOSA-N 0 0 439.478 2.615 50 0 IFAARN O=C(OCc1ccccc1)C1=C[C@@]2(CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)NN1 ZINC000012376511 526427126 /nfs/dbraw/zinc/42/71/26/526427126.db2.gz IZYOYMNRCFAWOR-FQEVSTJZSA-N 0 0 431.370 2.800 50 0 IFAARN O=C(OCc1ccccc1)C1=C[C@]2(CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)NN1 ZINC000012376512 526427421 /nfs/dbraw/zinc/42/74/21/526427421.db2.gz IZYOYMNRCFAWOR-HXUWFJFHSA-N 0 0 431.370 2.800 50 0 IFAARN O=C(CCCN1CCN(Cc2ccc(F)cc2)C(=O)C1=O)NCCc1ccc(Cl)cc1 ZINC000021155089 526433562 /nfs/dbraw/zinc/43/35/62/526433562.db2.gz FBDFEMPFRRYFIX-UHFFFAOYSA-N 0 0 445.922 2.789 50 0 IFAARN O=C(CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccc2Cl)on1)N1CCOCC1 ZINC000036013656 526475108 /nfs/dbraw/zinc/47/51/08/526475108.db2.gz GKWJUDLQSFYGQC-INIZCTEOSA-N 0 0 447.919 2.865 50 0 IFAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000012599065 526479670 /nfs/dbraw/zinc/47/96/70/526479670.db2.gz GSUMOBOZNJOOBC-UHFFFAOYSA-N 0 0 436.516 2.865 50 0 IFAARN O=C(CCN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccc(Cl)cc1F ZINC000012770145 526487403 /nfs/dbraw/zinc/48/74/03/526487403.db2.gz HURUCFGTVTZZAK-UHFFFAOYSA-N 0 0 443.903 2.953 50 0 IFAARN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012808679 526493695 /nfs/dbraw/zinc/49/36/95/526493695.db2.gz UUTPAKPWISDPIA-HNNXBMFYSA-N 0 0 438.908 2.563 50 0 IFAARN O=C(CCSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)NC1CCCCC1 ZINC000012813027 526545253 /nfs/dbraw/zinc/54/52/53/526545253.db2.gz LIFRJXYOWBIKEY-UHFFFAOYSA-N 0 0 429.546 2.623 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000035459638 526548542 /nfs/dbraw/zinc/54/85/42/526548542.db2.gz IEGOXDGTAOFSIV-UHFFFAOYSA-N 0 0 444.557 2.922 50 0 IFAARN O=C(CC[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1)NCc1ccccc1F ZINC000012477781 526554748 /nfs/dbraw/zinc/55/47/48/526554748.db2.gz HCALFGJSZALDTO-KRWDZBQOSA-N 0 0 436.487 2.782 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)c(C)s2)no1 ZINC000035556665 526560345 /nfs/dbraw/zinc/56/03/45/526560345.db2.gz LZDLXBHBICAOMM-UHFFFAOYSA-N 0 0 438.575 2.874 50 0 IFAARN O=C(CC[C@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1)N1CCN(c2ccccn2)CC1 ZINC000012302872 526568227 /nfs/dbraw/zinc/56/82/27/526568227.db2.gz GFHCDGDLMNAHHO-LJQANCHMSA-N 0 0 446.555 2.939 50 0 IFAARN Cc1nc(-c2ccc(CCNC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)s2)cs1 ZINC000012396374 526569954 /nfs/dbraw/zinc/56/99/54/526569954.db2.gz QTPRPNCYRIYIQK-UHFFFAOYSA-N 0 0 426.523 2.542 50 0 IFAARN O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012587486 526579983 /nfs/dbraw/zinc/57/99/83/526579983.db2.gz VXYYWDXYFKBLNR-UHFFFAOYSA-N 0 0 428.539 2.682 50 0 IFAARN O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000022784735 526580986 /nfs/dbraw/zinc/58/09/86/526580986.db2.gz UKUDJBGHTLCBRZ-XXBNENTESA-N 0 0 437.565 2.897 50 0 IFAARN O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012630032 526583308 /nfs/dbraw/zinc/58/33/08/526583308.db2.gz IXSIWKYVSCWDQE-UHFFFAOYSA-N 0 0 432.452 2.502 50 0 IFAARN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000035508164 526593755 /nfs/dbraw/zinc/59/37/55/526593755.db2.gz XWPALWUZQVKZGD-FQEVSTJZSA-N 0 0 444.539 2.673 50 0 IFAARN O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000008988163 526600060 /nfs/dbraw/zinc/60/00/60/526600060.db2.gz LMGVERREKMESTM-UHFFFAOYSA-N 0 0 438.914 2.655 50 0 IFAARN O=C(CCc1ccncc1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccncc2)C1 ZINC000014531585 526625599 /nfs/dbraw/zinc/62/55/99/526625599.db2.gz RFQAWWRPADHZAN-QHCPKHFHSA-N 0 0 436.556 2.998 50 0 IFAARN O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000035598291 526659442 /nfs/dbraw/zinc/65/94/42/526659442.db2.gz GMCQLORAKNUAHT-UHFFFAOYSA-N 0 0 427.508 2.731 50 0 IFAARN O=C(CCc1nnc2ccc(N3CCCCC3)nn21)N1CCN(c2ccccc2F)CC1 ZINC000020923677 526665136 /nfs/dbraw/zinc/66/51/36/526665136.db2.gz VGRNFYKUIAJQHJ-UHFFFAOYSA-N 0 0 437.523 2.535 50 0 IFAARN O=C(c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1)N1CCC2(CC1)OCCO2 ZINC000021527819 526684167 /nfs/dbraw/zinc/68/41/67/526684167.db2.gz NSIFJSKVKFRORI-UHFFFAOYSA-N 0 0 444.491 2.677 50 0 IFAARN O=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)c1ccccc1F)Nc1ccc(F)cc1 ZINC000020867475 526693351 /nfs/dbraw/zinc/69/33/51/526693351.db2.gz MAIINYUFWDRJTL-WBVHZDCISA-N 0 0 437.493 2.678 50 0 IFAARN O=C(c1ccc(N2CCCC2=O)cc1)N1CCOc2ccc(CN3CCOCC3)cc2C1 ZINC000014882983 526699695 /nfs/dbraw/zinc/69/96/95/526699695.db2.gz WBSLASMCRIPCIF-UHFFFAOYSA-N 0 0 435.524 2.680 50 0 IFAARN O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)NC1CCCCC1 ZINC000021031496 526707476 /nfs/dbraw/zinc/70/74/76/526707476.db2.gz RRPDFUSUSMETPF-UHFFFAOYSA-N 0 0 433.574 2.589 50 0 IFAARN O=C(c1ccc(S(=O)(=O)NCc2cccs2)o1)N1CCN(c2ccccc2F)CC1 ZINC000035597418 526711845 /nfs/dbraw/zinc/71/18/45/526711845.db2.gz YVUSAGQDDIDJMJ-UHFFFAOYSA-N 0 0 449.529 2.921 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)Nc1ccc2c(c1)OCCCO2 ZINC000012685597 526713996 /nfs/dbraw/zinc/71/39/96/526713996.db2.gz YCNCJRNQACQMQK-OAQYLSRUSA-N 0 0 427.482 2.632 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000021601290 526715328 /nfs/dbraw/zinc/71/53/28/526715328.db2.gz RQQDWKUTKVDLJY-QHCPKHFHSA-N 0 0 449.898 2.917 50 0 IFAARN O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CO2)N1CCC2(CC1)OCCO2 ZINC000035377614 526723357 /nfs/dbraw/zinc/72/33/57/526723357.db2.gz GWYFZWNODBZSQY-UHFFFAOYSA-N 0 0 426.444 2.730 50 0 IFAARN O=C(c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012926184 526726397 /nfs/dbraw/zinc/72/63/97/526726397.db2.gz ZPZRSHQDUQPDHH-UHFFFAOYSA-N 0 0 436.917 2.648 50 0 IFAARN O=C(CN1CCCN(Cc2ccccc2Cl)S1(=O)=O)NCCCc1ccccc1 ZINC000015770700 526744796 /nfs/dbraw/zinc/74/47/96/526744796.db2.gz GJZZFVKKEQDJOW-UHFFFAOYSA-N 0 0 435.977 2.842 50 0 IFAARN O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000012755650 526761880 /nfs/dbraw/zinc/76/18/80/526761880.db2.gz NPNWJMUMWUNVBJ-UHFFFAOYSA-N 0 0 443.447 2.697 50 0 IFAARN O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000020797659 526768971 /nfs/dbraw/zinc/76/89/71/526768971.db2.gz KEAROLUMBLUSBC-UHFFFAOYSA-N 0 0 432.874 2.537 50 0 IFAARN O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)NCc1ccccc1Cl ZINC000022912885 526771007 /nfs/dbraw/zinc/77/10/07/526771007.db2.gz HLXJSPVUCWYORP-UHFFFAOYSA-N 0 0 435.355 2.866 50 0 IFAARN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCS[C@H]1c1ccccc1F ZINC000022793206 526774429 /nfs/dbraw/zinc/77/44/29/526774429.db2.gz XXPZGNCQMBREIU-QHCPKHFHSA-N 0 0 443.544 2.946 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000035300801 526778809 /nfs/dbraw/zinc/77/88/09/526778809.db2.gz VZUAHBUMIYPEBP-LFIBNONCSA-N 0 0 425.554 2.732 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036051258 526779470 /nfs/dbraw/zinc/77/94/70/526779470.db2.gz JBQCFXKBRAYSFE-UHFFFAOYSA-N 0 0 428.341 2.938 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1c(Cl)cccc1Cl ZINC000035395541 526780728 /nfs/dbraw/zinc/78/07/28/526780728.db2.gz PJKMLRZNSMPXCR-UHFFFAOYSA-N 0 0 434.370 3.000 50 0 IFAARN O=C(CN1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1)N1CCOCC1 ZINC000022780921 526781251 /nfs/dbraw/zinc/78/12/51/526781251.db2.gz DGHMBXABBHDLBQ-VWLOTQADSA-N 0 0 446.551 2.568 50 0 IFAARN Cc1occc1-c1nnc(SCc2nnc(C(=O)NCc3ccc(F)cc3)s2)n1N ZINC000023138515 526798501 /nfs/dbraw/zinc/79/85/01/526798501.db2.gz HYLQJRYQCIHNRM-UHFFFAOYSA-N 0 0 445.505 2.773 50 0 IFAARN O=C(CN1C[C@@H](c2ccccc2)CC1=O)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000014993363 526817834 /nfs/dbraw/zinc/81/78/34/526817834.db2.gz NRFLVXIIHJNEFH-PMACEKPBSA-N 0 0 428.492 2.579 50 0 IFAARN O=C(c1cccnc1N1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000012684077 526821125 /nfs/dbraw/zinc/82/11/25/526821125.db2.gz NUPXWTGWPKUAAN-UHFFFAOYSA-N 0 0 440.978 2.543 50 0 IFAARN O=C(c1ccco1)N1CCC(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000024601398 526825934 /nfs/dbraw/zinc/82/59/34/526825934.db2.gz WNIBGACWDIPSCY-UHFFFAOYSA-N 0 0 436.434 2.894 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)CC1 ZINC000020531233 526829510 /nfs/dbraw/zinc/82/95/10/526829510.db2.gz GDRTUPAHOKGAGW-JOCHJYFZSA-N 0 0 443.503 2.831 50 0 IFAARN O=C(NCc1nnc2n1CCCCC2)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000012548479 526837648 /nfs/dbraw/zinc/83/76/48/526837648.db2.gz REZIFFDHVYJQLP-UHFFFAOYSA-N 0 0 425.514 2.735 50 0 IFAARN O=C(c1cccs1)N1CCN(c2nc3nonc3nc2NCc2cccs2)CC1 ZINC000012201379 526837932 /nfs/dbraw/zinc/83/79/32/526837932.db2.gz SNPJAIPWAORNOT-UHFFFAOYSA-N 0 0 427.515 2.710 50 0 IFAARN N=C1c2ccccc2CN1c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000012560503 526839892 /nfs/dbraw/zinc/83/98/92/526839892.db2.gz UFLXGBVJNMHXAL-UHFFFAOYSA-N 0 0 426.542 2.653 50 0 IFAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(CCC(N)=O)n2C)o1 ZINC000012809568 526845762 /nfs/dbraw/zinc/84/57/62/526845762.db2.gz CHWFNWSASBCYEV-UHFFFAOYSA-N 0 0 425.474 2.539 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc(Br)cc1 ZINC000001849336 526855583 /nfs/dbraw/zinc/85/55/83/526855583.db2.gz BGSPSXBNQGDYCI-UHFFFAOYSA-N 0 0 445.063 2.961 50 0 IFAARN O=C(CNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)OCC(=O)c1ccccc1 ZINC000001850249 526857351 /nfs/dbraw/zinc/85/73/51/526857351.db2.gz SBBCOOHDNLGOFT-UHFFFAOYSA-N 0 0 442.427 2.643 50 0 IFAARN O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NCc1ccc2c(c1)OCO2 ZINC000012406729 526859061 /nfs/dbraw/zinc/85/90/61/526859061.db2.gz FNQPKPIKQXDFDW-UHFFFAOYSA-N 0 0 434.477 2.862 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)c1cccnc1 ZINC000012325178 526863217 /nfs/dbraw/zinc/86/32/17/526863217.db2.gz LQWZQZUEIUZBRK-QFIPXVFZSA-N 0 0 432.499 2.911 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000020713883 526863367 /nfs/dbraw/zinc/86/33/67/526863367.db2.gz JQHKVNKETXJBOQ-DEOSSOPVSA-N 0 0 428.536 2.767 50 0 IFAARN O=C(CNC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(F)c1 ZINC000012893865 526864880 /nfs/dbraw/zinc/86/48/80/526864880.db2.gz KJBICVJKRKZYEN-CYBMUJFWSA-N 0 0 440.493 2.613 50 0 IFAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC000035555861 526864937 /nfs/dbraw/zinc/86/49/37/526864937.db2.gz YLMKNKYUSAUXRB-CYBMUJFWSA-N 0 0 436.559 2.663 50 0 IFAARN O=C(c1cnc2ccccn2c1=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012934116 526876274 /nfs/dbraw/zinc/87/62/74/526876274.db2.gz OUPMVDILSRVOMO-UHFFFAOYSA-N 0 0 437.459 2.774 50 0 IFAARN Cc1sc(NC(=O)C2CC2)c(C(=O)O[C@@H](C)C(=O)Nc2ncnc3[nH]cnc32)c1C ZINC000022187765 526878946 /nfs/dbraw/zinc/87/89/46/526878946.db2.gz NDYJBDOKYMQVQF-VIFPVBQESA-N 0 0 428.474 2.564 50 0 IFAARN Cc1nc(CNC(=O)[C@H]2CSCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cs1 ZINC000021708167 526884187 /nfs/dbraw/zinc/88/41/87/526884187.db2.gz VWIJNYIGJPFTJD-CQSZACIVSA-N 0 0 435.955 2.624 50 0 IFAARN Cc1nc(CNC(=O)[C@H]2CSCN2S(=O)(=O)c2cc(C)c(C)cc2C)cs1 ZINC000021708205 526884699 /nfs/dbraw/zinc/88/46/99/526884699.db2.gz UCMSOKLAKIVNMK-MRXNPFEDSA-N 0 0 425.601 2.757 50 0 IFAARN O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012507498 526886033 /nfs/dbraw/zinc/88/60/33/526886033.db2.gz OYHZKJVMQHGBSK-UHFFFAOYSA-N 0 0 430.917 2.672 50 0 IFAARN O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC(=O)Nc2ccccc21 ZINC000012597561 526894464 /nfs/dbraw/zinc/89/44/64/526894464.db2.gz UWNCAXRQLCEASH-UHFFFAOYSA-N 0 0 442.541 2.649 50 0 IFAARN O=C(c1csc(-c2cccs2)n1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012792027 526901372 /nfs/dbraw/zinc/90/13/72/526901372.db2.gz QDAFIUPASDUSCY-KRWDZBQOSA-N 0 0 441.534 2.996 50 0 IFAARN Cc1nc(CSc2ccccc2C(=O)NC[C@@H](Cc2cnn(C)c2)C(N)=O)cs1 ZINC000089712529 526916196 /nfs/dbraw/zinc/91/61/96/526916196.db2.gz RLWGYVJUCQTJTE-OAHLLOKOSA-N 0 0 429.571 2.551 50 0 IFAARN O=C(c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCN(c2ccccc2F)CC1 ZINC000263615051 526928866 /nfs/dbraw/zinc/92/88/66/526928866.db2.gz AHOQBXFUGNXTDK-HXUWFJFHSA-N 0 0 425.439 2.790 50 0 IFAARN O=C(N[C@@H]1CCSc2c(F)cccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012621964 526947227 /nfs/dbraw/zinc/94/72/27/526947227.db2.gz YCHIWDLRYKBRFH-GOSISDBHSA-N 0 0 436.530 2.814 50 0 IFAARN O=C(COc1ccc(Cl)cc1)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2 ZINC000012129620 526953252 /nfs/dbraw/zinc/95/32/52/526953252.db2.gz HTURIEANFIHLFO-UHFFFAOYSA-N 0 0 425.876 2.993 50 0 IFAARN O=C(COc1ccccc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011914256 526981470 /nfs/dbraw/zinc/98/14/70/526981470.db2.gz LGXOHDMTCRVGSE-ZDUSSCGKSA-N 0 0 428.304 2.637 50 0 IFAARN O=C1COc2ccc(S(=O)(=O)NCc3ccc(COCC(F)(F)F)cc3)cc2N1 ZINC000012735709 527014773 /nfs/dbraw/zinc/01/47/73/527014773.db2.gz QMHIPUVOCNVROZ-UHFFFAOYSA-N 0 0 430.404 2.575 50 0 IFAARN O=C1CS(=O)(=O)[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)N1c1cccc(F)c1 ZINC000020577195 527015258 /nfs/dbraw/zinc/01/52/58/527015258.db2.gz AXQQUVBAIQODLT-HSZRJFAPSA-N 0 0 436.464 2.987 50 0 IFAARN Cc1nc(SCc2ccc(C(=O)NCCN3CCOCC3)cc2)nc(N(C)C)c1C ZINC000035805514 527020780 /nfs/dbraw/zinc/02/07/80/527020780.db2.gz GXGRYYWAJXWGRN-UHFFFAOYSA-N 0 0 429.590 2.514 50 0 IFAARN Cn1c(=O)c(C(=O)c2ccccc2)c(CC(=O)c2ccc(Br)cc2)n(C)c1=O ZINC000015106795 527023345 /nfs/dbraw/zinc/02/33/45/527023345.db2.gz KHVHLEIOJFOLGM-UHFFFAOYSA-N 0 0 441.281 2.503 50 0 IFAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ccccc1Br ZINC000022457654 527033932 /nfs/dbraw/zinc/03/39/32/527033932.db2.gz WWMUZSKBQWSTNB-UHFFFAOYSA-N 0 0 439.331 2.912 50 0 IFAARN Cn1c(CCC(=O)NCc2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012580161 527047626 /nfs/dbraw/zinc/04/76/26/527047626.db2.gz YTWGNKCRAQRVJK-UHFFFAOYSA-N 0 0 440.569 2.997 50 0 IFAARN O=C(CSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n21)N1CCc2ccccc2C1 ZINC000021537434 527051228 /nfs/dbraw/zinc/05/12/28/527051228.db2.gz UTVDPPDNEJJCFG-UHFFFAOYSA-N 0 0 435.484 2.901 50 0 IFAARN Cn1c(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc2ccccc21 ZINC000009338204 527059210 /nfs/dbraw/zinc/05/92/10/527059210.db2.gz RSQRPYJMDBEYIC-UHFFFAOYSA-N 0 0 426.542 2.607 50 0 IFAARN O=C1Nc2ccccc2/C1=c1\sc2n(c1=O)[C@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000033662839 527090320 /nfs/dbraw/zinc/09/03/20/527090320.db2.gz DHODWVJCTVYWEF-OBVHCKHUSA-N 0 0 436.496 2.688 50 0 IFAARN Cn1c2c(c(=O)[nH]c1=O)n(CCc1ccccc1)c1nnc(-c3c(F)cccc3Cl)n12 ZINC000010967320 527090707 /nfs/dbraw/zinc/09/07/07/527090707.db2.gz RHCBKINRANTZRL-UHFFFAOYSA-N 0 0 438.850 2.773 50 0 IFAARN O=C(Nc1c2c(nc3c1CCCC3)CCC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012524305 527094502 /nfs/dbraw/zinc/09/45/02/527094502.db2.gz LOHUAWFZLUYCQP-UHFFFAOYSA-N 0 0 441.553 2.722 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCCc1cn2ccccc2n1 ZINC000012306126 527100614 /nfs/dbraw/zinc/10/06/14/527100614.db2.gz UJWHZXNXTGIZNU-HSZRJFAPSA-N 0 0 441.535 2.537 50 0 IFAARN Cn1c2ccc(NC(=O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2n(C)c1=O ZINC000057291792 527103146 /nfs/dbraw/zinc/10/31/46/527103146.db2.gz LVCPWAVVKBPXEE-UHFFFAOYSA-N 0 0 447.461 2.657 50 0 IFAARN O=C1c2cccc3cccc(c23)N1CN1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000022934418 527127668 /nfs/dbraw/zinc/12/76/68/527127668.db2.gz JPIBZDITWRXXGE-UHFFFAOYSA-N 0 0 425.492 2.583 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)[C@@H]1CC=CCC1 ZINC000012527496 527130272 /nfs/dbraw/zinc/13/02/72/527130272.db2.gz HZCVPYIQEHQNGX-MSOLQXFVSA-N 0 0 449.573 2.593 50 0 IFAARN O=C1c2ccccc2C(=O)N1CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 ZINC000012633221 527131541 /nfs/dbraw/zinc/13/15/41/527131541.db2.gz WKDQSHNJZMVIKO-UHFFFAOYSA-N 0 0 431.539 2.992 50 0 IFAARN O=C(C[C@@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O)N1CCCCC1 ZINC000012247061 527147838 /nfs/dbraw/zinc/14/78/38/527147838.db2.gz DSSPACRTGMQQLC-VWLOTQADSA-N 0 0 435.524 2.950 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCCc1ccncc1 ZINC000012308192 527151189 /nfs/dbraw/zinc/15/11/89/527151189.db2.gz MNBTWFAENOPMSM-DEOSSOPVSA-N 0 0 428.536 2.798 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1nnc(COc2ccc(F)cc2)s1 ZINC000033032299 527162516 /nfs/dbraw/zinc/16/25/16/527162516.db2.gz JLDLBIIRAKZKGB-UHFFFAOYSA-N 0 0 442.472 2.981 50 0 IFAARN Cc1nc2ccccn2c(=O)c1Cc1nnc(SCC(=O)Nc2cccc(F)c2)n1C ZINC000015859290 527176417 /nfs/dbraw/zinc/17/64/17/527176417.db2.gz RPXUSHUJNBPRBO-UHFFFAOYSA-N 0 0 438.488 2.592 50 0 IFAARN O=C(Cc1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000012593307 527231626 /nfs/dbraw/zinc/23/16/26/527231626.db2.gz XSIZYCNZQXPHAW-UHFFFAOYSA-N 0 0 447.532 2.628 50 0 IFAARN O=C(Cc1ccc2c(c1)OCCCO2)NCCSCc1nc2ccccc2c(=O)[nH]1 ZINC000035686387 527250462 /nfs/dbraw/zinc/25/04/62/527250462.db2.gz CLOOFMPSPFBABZ-UHFFFAOYSA-N 0 0 425.510 2.677 50 0 IFAARN O=S(=O)(c1cccc(-c2nn3c(nnc3-c3ccccc3)s2)c1)N1CCOCC1 ZINC000012274131 527282759 /nfs/dbraw/zinc/28/27/59/527282759.db2.gz PJHJFAWXVHLXMK-UHFFFAOYSA-N 0 0 427.511 2.541 50 0 IFAARN O=S(=O)(c1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1)N1CCOCC1 ZINC000022793919 527282951 /nfs/dbraw/zinc/28/29/51/527282951.db2.gz JYSQLJDIZOEZRM-WEVVVXLNSA-N 0 0 441.597 2.539 50 0 IFAARN O=S(=O)(c1cccc(Br)c1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000012818748 527283454 /nfs/dbraw/zinc/28/34/54/527283454.db2.gz UEIVDRQFWRVEFA-UHFFFAOYSA-N 0 0 435.347 2.603 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1 ZINC000035508069 527285728 /nfs/dbraw/zinc/28/57/28/527285728.db2.gz UTZNUIMGSTWUQY-INIZCTEOSA-N 0 0 433.468 2.734 50 0 IFAARN Cc1ncc2c(c1CNC(=O)CSc1ccccc1)CCN(C(=O)c1cnsn1)C2 ZINC000015069289 527316286 /nfs/dbraw/zinc/31/62/86/527316286.db2.gz GCJXTKOROICYQQ-UHFFFAOYSA-N 0 0 439.566 2.849 50 0 IFAARN O=C(Nc1cccc(Cl)c1)c1nnc(C(=O)N2CCC(C(=O)NC3CC3)CC2)s1 ZINC000033024577 527343840 /nfs/dbraw/zinc/34/38/40/527343840.db2.gz UEQXWHKSIKZQHW-UHFFFAOYSA-N 0 0 433.921 2.575 50 0 IFAARN O=C(Cn1c(=S)[nH]nc1-c1cccs1)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000022883356 527355918 /nfs/dbraw/zinc/35/59/18/527355918.db2.gz LAQPDEJRJIPRMJ-UHFFFAOYSA-N 0 0 435.556 2.848 50 0 IFAARN O=c1[nH]c(=O)n(CCc2ccccc2)c([O-])c1[C@H]1[NH2+]CCc2c3cc(Cl)ccc3[nH]c21 ZINC000020624042 527441959 /nfs/dbraw/zinc/44/19/59/527441959.db2.gz YAWOFRHAIHCBMU-HXUWFJFHSA-N 0 0 436.899 2.855 50 0 IFAARN O=c1[nH]c2cc3c(cc2c(=O)n1CCc1nc(-c2cccc(C(F)(F)F)c2)no1)OCO3 ZINC000021873990 527443269 /nfs/dbraw/zinc/44/32/69/527443269.db2.gz IVAUACYLEPIWBF-UHFFFAOYSA-N 0 0 446.341 2.730 50 0 IFAARN O=c1c2c(ncn2Cc2ccccc2)n(-c2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 ZINC000034692669 527458534 /nfs/dbraw/zinc/45/85/34/527458534.db2.gz KUSOILGDDFYWOM-KRWDZBQOSA-N 0 0 438.434 2.854 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 ZINC000012575056 527463352 /nfs/dbraw/zinc/46/33/52/527463352.db2.gz OEXHGOPVAUAZDD-OAQYLSRUSA-N 0 0 438.553 2.727 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1F ZINC000012629534 527464640 /nfs/dbraw/zinc/46/46/40/527464640.db2.gz YITSHIDIJUQKEM-HXUWFJFHSA-N 0 0 442.516 2.863 50 0 IFAARN O=C(NC1=NCCS1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012597697 527479579 /nfs/dbraw/zinc/47/95/79/527479579.db2.gz VVAIXVKUOHWDGV-UHFFFAOYSA-N 0 0 436.603 2.684 50 0 IFAARN Cn1cnn(CN2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)c1=S ZINC000012889395 527517017 /nfs/dbraw/zinc/51/70/17/527517017.db2.gz JUALRPAZYYDJBJ-UHFFFAOYSA-N 0 0 435.619 2.963 50 0 IFAARN O=C(Nc1nnc(-c2ccno2)o1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000012234628 527532517 /nfs/dbraw/zinc/53/25/17/527532517.db2.gz UCKRCYQQIURNEI-VIFPVBQESA-N 0 0 443.894 2.621 50 0 IFAARN Nc1nc(COC(=O)Cn2cnc3ccccc3c2=O)nc2sc3c(c21)CCCCC3 ZINC000012723509 527552423 /nfs/dbraw/zinc/55/24/23/527552423.db2.gz XGXYYVJTFMYKPK-UHFFFAOYSA-N 0 0 435.509 2.996 50 0 IFAARN Cc1nn(-c2ccccc2)c2c1N(CC(=O)N1CCN(c3ccccc3)CC1)C(=O)CS2 ZINC000020992106 527553706 /nfs/dbraw/zinc/55/37/06/527553706.db2.gz VUWJBPSDBRSIDP-UHFFFAOYSA-N 0 0 447.564 2.968 50 0 IFAARN Cc1nn(-c2nc3c(c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n3C)n2C)c(C)c1C ZINC000012231945 527570462 /nfs/dbraw/zinc/57/04/62/527570462.db2.gz HQRGCJWRTODFGA-UHFFFAOYSA-N 0 0 447.326 2.900 50 0 IFAARN Nc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)s1 ZINC000012529390 527578020 /nfs/dbraw/zinc/57/80/20/527578020.db2.gz ZSUCVEWKFXYFPC-UHFFFAOYSA-N 0 0 447.995 2.679 50 0 IFAARN Nn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1cccs1 ZINC000021468940 527582882 /nfs/dbraw/zinc/58/28/82/527582882.db2.gz HKYQAFMEYUAIMB-CQSZACIVSA-N 0 0 443.554 2.947 50 0 IFAARN O=C(NCC1(c2ccccc2)CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022061416 527584640 /nfs/dbraw/zinc/58/46/40/527584640.db2.gz TYPQAADYRPDMBK-UHFFFAOYSA-N 0 0 428.554 2.949 50 0 IFAARN O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ncccn3)C[C@@H]12 ZINC000035871235 527596704 /nfs/dbraw/zinc/59/67/04/527596704.db2.gz XYYCUXZNXHZJQG-HKUYNNGSSA-N 0 0 431.462 2.889 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012568533 527618948 /nfs/dbraw/zinc/61/89/48/527618948.db2.gz SFALGKYMHWEEBG-CSKARUKUSA-N 0 0 442.537 2.535 50 0 IFAARN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc3c(s2)n(C)nc3C(F)(F)F)CC1 ZINC000020616977 527631127 /nfs/dbraw/zinc/63/11/27/527631127.db2.gz MKISXLHVOTUCRN-UHFFFAOYSA-N 0 0 440.495 2.962 50 0 IFAARN O=C(NCCCN1CCCC1=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000021871129 527663698 /nfs/dbraw/zinc/66/36/98/527663698.db2.gz IGOBTTPJTCLIIV-UHFFFAOYSA-N 0 0 435.933 2.883 50 0 IFAARN O=C(NCCCN1CCCCCC1=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000012536671 527666300 /nfs/dbraw/zinc/66/63/00/527666300.db2.gz PZJOAKKYXDLATH-UHFFFAOYSA-N 0 0 446.573 2.690 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000020509975 527672378 /nfs/dbraw/zinc/67/23/78/527672378.db2.gz ZLKUCZBZKHGTJH-WMZOPIPTSA-N 0 0 437.466 2.996 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000013038839 535420216 /nfs/dbraw/zinc/42/02/16/535420216.db2.gz AVDZLBQSVNSATO-UHFFFAOYSA-N 0 0 441.597 2.925 50 0 IFAARN CCN1C(=O)C[C@@](CC(=O)N2CCN(c3ccc(F)cc3)CC2)(c2ccccc2C)C1=O ZINC000011838586 535433206 /nfs/dbraw/zinc/43/32/06/535433206.db2.gz GSIHVASJOALWNS-VWLOTQADSA-N 0 0 437.515 2.890 50 0 IFAARN CCc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c2cc3sccc3n21 ZINC000009848569 535837773 /nfs/dbraw/zinc/83/77/73/535837773.db2.gz CYRKNCPIVYMTOP-UHFFFAOYSA-N 0 0 439.516 2.761 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000008707326 536112230 /nfs/dbraw/zinc/11/22/30/536112230.db2.gz VXNPTEITLPJLHS-UHFFFAOYSA-N 0 0 445.541 2.586 50 0 IFAARN COC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCCCC3)c(N)c2)cc(C(=O)OC)c1 ZINC000008659803 536569580 /nfs/dbraw/zinc/56/95/80/536569580.db2.gz WSFHDSNUVGSWKD-UHFFFAOYSA-N 0 0 447.513 2.633 50 0 IFAARN COc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc(Br)c2)CN=3)cc1 ZINC000002332429 536614126 /nfs/dbraw/zinc/61/41/26/536614126.db2.gz SGVZBZXVAONXDS-MFOYZWKCSA-N 0 0 430.327 2.565 50 0 IFAARN COc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CCC(C)C)c4=O)c(OC)c1 ZINC000004249400 536676230 /nfs/dbraw/zinc/67/62/30/536676230.db2.gz LXJHYYBKTXHBCU-UHFFFAOYSA-N 0 0 427.505 2.502 50 0 IFAARN COc1ccccc1N1CCCn2c1nc1c2c(=O)n(Cc2ccccc2C)c(=O)n1C ZINC000009519169 537062871 /nfs/dbraw/zinc/06/28/71/537062871.db2.gz OMAIWERKURDDHW-UHFFFAOYSA-N 0 0 431.496 2.804 50 0 IFAARN COc1ccccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000009518786 537076523 /nfs/dbraw/zinc/07/65/23/537076523.db2.gz SCALLXTYXRANRR-HNNXBMFYSA-N 0 0 449.486 2.881 50 0 IFAARN COc1ccccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000009519225 537076941 /nfs/dbraw/zinc/07/69/41/537076941.db2.gz CPZVGDXDXKMOBU-KRWDZBQOSA-N 0 0 445.523 2.936 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)CC2)c1 ZINC000009530874 537123894 /nfs/dbraw/zinc/12/38/94/537123894.db2.gz YZTQELAFWCQCMB-AWEZNQCLSA-N 0 0 433.555 2.639 50 0 IFAARN CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2ccccc2Br)o1 ZINC000009051056 555507742 /nfs/dbraw/zinc/50/77/42/555507742.db2.gz KXBIEVIVYLXMBC-UHFFFAOYSA-N 0 0 441.351 2.964 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000009125711 555509701 /nfs/dbraw/zinc/50/97/01/555509701.db2.gz LYCOPZJHXARMFJ-UHFFFAOYSA-N 0 0 448.497 2.543 50 0 IFAARN COc1cc(CNc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)NC1CCCCC1 ZINC000000624134 555511721 /nfs/dbraw/zinc/51/17/21/555511721.db2.gz KCLFAJJUUWJFFT-UHFFFAOYSA-N 0 0 447.557 2.782 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 ZINC000000652667 555523488 /nfs/dbraw/zinc/52/34/88/555523488.db2.gz AXZJSACOJKQHIN-UHFFFAOYSA-N 0 0 428.894 2.771 50 0 IFAARN O=C(c1ccc(Cn2cc(Br)cn2)o1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000000653383 555523834 /nfs/dbraw/zinc/52/38/34/555523834.db2.gz ZKCBGVCZJLZTNQ-CQSZACIVSA-N 0 0 439.163 2.708 50 0 IFAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(NC(C)=O)c3)n2C)cc1 ZINC000000694099 555542555 /nfs/dbraw/zinc/54/25/55/555542555.db2.gz QWXSTYMDSAETPJ-UHFFFAOYSA-N 0 0 439.497 2.958 50 0 IFAARN CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCc2ccccc2)[C@]12c1ccccc1NC2=O ZINC000000714548 555548107 /nfs/dbraw/zinc/54/81/07/555548107.db2.gz TWYBNKKRQHKNIK-DEOSSOPVSA-N 0 0 434.448 2.658 50 0 IFAARN O=C(c1ccc(Br)o1)N1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000000755496 555554154 /nfs/dbraw/zinc/55/41/54/555554154.db2.gz WSMZPPOCKZMPFD-UHFFFAOYSA-N 0 0 432.068 2.996 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2OC)cc1 ZINC000000784200 555555846 /nfs/dbraw/zinc/55/58/46/555555846.db2.gz XTAIQGKEPHJPHW-UHFFFAOYSA-N 0 0 430.482 2.809 50 0 IFAARN COc1ccc(CCNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC ZINC000000791115 555557043 /nfs/dbraw/zinc/55/70/43/555557043.db2.gz AFVLZPMTQFRRNW-AWEZNQCLSA-N 0 0 441.553 2.959 50 0 IFAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccnc1 ZINC000000802902 555559416 /nfs/dbraw/zinc/55/94/16/555559416.db2.gz ABLOCDDPSLNZIK-UHFFFAOYSA-N 0 0 443.456 2.826 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCc1ccccn1 ZINC000000810313 555560642 /nfs/dbraw/zinc/56/06/42/555560642.db2.gz WYEQKXIQUCRTGC-UHFFFAOYSA-N 0 0 445.928 2.909 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000831266 555566448 /nfs/dbraw/zinc/56/64/48/555566448.db2.gz XATLBWUBRVJJAV-JKALPCAWSA-N 0 0 438.480 2.556 50 0 IFAARN CCOC(=O)c1sc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C(=O)OCC)c1C ZINC000000846883 555569717 /nfs/dbraw/zinc/56/97/17/555569717.db2.gz KFUVWUVAWALCTM-UHFFFAOYSA-N 0 0 444.465 2.645 50 0 IFAARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000000862486 555572947 /nfs/dbraw/zinc/57/29/47/555572947.db2.gz ATVOSSIRTDARCB-IBGZPJMESA-N 0 0 427.457 2.988 50 0 IFAARN Cc1c(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000000893973 555580303 /nfs/dbraw/zinc/58/03/03/555580303.db2.gz XJGPZDJOPCATPX-UHFFFAOYSA-N 0 0 442.541 2.506 50 0 IFAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NN1CCN(C)CC1 ZINC000000901112 555581077 /nfs/dbraw/zinc/58/10/77/555581077.db2.gz OODAYXXSUSUCJW-ZDUSSCGKSA-N 0 0 425.480 2.922 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 ZINC000000945339 555587955 /nfs/dbraw/zinc/58/79/55/555587955.db2.gz RPFPWJXYRLJCTE-GOSISDBHSA-N 0 0 438.436 2.519 50 0 IFAARN COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000000972138 555591851 /nfs/dbraw/zinc/59/18/51/555591851.db2.gz OYOIRTNHFJLWHI-UHFFFAOYSA-N 0 0 429.878 2.734 50 0 IFAARN O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000001029478 555605423 /nfs/dbraw/zinc/60/54/23/555605423.db2.gz WAAQMIIANYHFON-UHFFFAOYSA-N 0 0 441.383 2.750 50 0 IFAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000001034145 555607455 /nfs/dbraw/zinc/60/74/55/555607455.db2.gz IZVDZCYUBHXHQZ-HXUWFJFHSA-N 0 0 433.464 2.774 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000001042338 555610071 /nfs/dbraw/zinc/61/00/71/555610071.db2.gz ULGYLOTYRRLCBJ-CYBMUJFWSA-N 0 0 431.304 2.680 50 0 IFAARN CCOC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OCC)C1c1ccc2c(c1)OCO2 ZINC000001065948 555618370 /nfs/dbraw/zinc/61/83/70/555618370.db2.gz NCFACNGGPDBOMC-INIZCTEOSA-N 0 0 429.469 2.888 50 0 IFAARN CC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000001066626 555618824 /nfs/dbraw/zinc/61/88/24/555618824.db2.gz IOVKYNNZBFOQOJ-UHFFFAOYSA-N 0 0 425.304 2.911 50 0 IFAARN COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl ZINC000001073147 555622178 /nfs/dbraw/zinc/62/21/78/555622178.db2.gz MODDRWRYAUAGMV-UHFFFAOYSA-N 0 0 440.905 2.831 50 0 IFAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccccc1OCC(=O)NCc1ccccc1 ZINC000001126629 555641079 /nfs/dbraw/zinc/64/10/79/555641079.db2.gz AQXXALMZFUQTLT-OAQYLSRUSA-N 0 0 439.537 2.738 50 0 IFAARN CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)NCCc1ccccc1 ZINC000001128406 555642824 /nfs/dbraw/zinc/64/28/24/555642824.db2.gz RZGCDFKJJFDDKR-UHFFFAOYSA-N 0 0 437.569 2.987 50 0 IFAARN CC(=O)Nc1c(O)nc(SCC(=O)N[C@H](C)c2ccccc2)n(-c2ccccc2)c1=O ZINC000001132525 555645471 /nfs/dbraw/zinc/64/54/71/555645471.db2.gz LQPGEYMRUUSWSS-CQSZACIVSA-N 0 0 438.509 2.866 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(I)cc1 ZINC000001146091 555653575 /nfs/dbraw/zinc/65/35/75/555653575.db2.gz HNBMWZDKQAJROX-UHFFFAOYSA-N 0 0 448.257 2.835 50 0 IFAARN Cc1c(NC(=S)NC(=O)c2ccc(Br)o2)c(=O)n(-c2ccccc2)n1C ZINC000001147770 555654400 /nfs/dbraw/zinc/65/44/00/555654400.db2.gz VDIKITJHODAPDS-UHFFFAOYSA-N 0 0 435.303 2.967 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(I)cc2)cc1 ZINC000001165885 555664139 /nfs/dbraw/zinc/66/41/39/555664139.db2.gz UQJJLYZUMGDDOR-UHFFFAOYSA-N 0 0 444.294 2.859 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)c1 ZINC000001174648 555668942 /nfs/dbraw/zinc/66/89/42/555668942.db2.gz WSISKQBMHLEPJA-UHFFFAOYSA-N 0 0 428.894 2.771 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000001179001 555670770 /nfs/dbraw/zinc/67/07/70/555670770.db2.gz ZVFLDMNTYPKGIC-QMJOVRGKSA-N 0 0 428.510 2.999 50 0 IFAARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Cl)N(NC(=O)c2cccc(F)c2)C1=S ZINC000001182379 555672490 /nfs/dbraw/zinc/67/24/90/555672490.db2.gz UEEDTDPTNAMYCF-INIZCTEOSA-N 0 0 448.907 2.970 50 0 IFAARN COC(=O)Cc1cc(OC)c(OC)cc1Cc1cc(OC)c(OC)cc1CC(=O)OC ZINC000001190518 555675799 /nfs/dbraw/zinc/67/57/99/555675799.db2.gz BALMYVGNQNQEBO-UHFFFAOYSA-N 0 0 432.469 2.743 50 0 IFAARN COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 ZINC000001196733 555677006 /nfs/dbraw/zinc/67/70/06/555677006.db2.gz PZEJJFHFIMXAFD-UHFFFAOYSA-N 0 0 431.539 2.885 50 0 IFAARN Cc1ccc(-n2c3nnc(SCC(N)=O)n3c3sc4c(c3c2=O)CCCC4)cc1 ZINC000001205001 555679938 /nfs/dbraw/zinc/67/99/38/555679938.db2.gz GMVSJDJERUHVCV-UHFFFAOYSA-N 0 0 425.539 2.860 50 0 IFAARN O=C1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC(=O)N1CCc1ccccc1 ZINC000001204662 555679964 /nfs/dbraw/zinc/67/99/64/555679964.db2.gz BPRWKPOCIMCGOL-UHFFFAOYSA-N 0 0 427.309 2.596 50 0 IFAARN CCOc1ccc2[nH]c(SCC(=O)N3CCN(S(=O)(=O)c4ccccc4)C3)nc2c1 ZINC000001424221 555695566 /nfs/dbraw/zinc/69/55/66/555695566.db2.gz CWIZLCUQWDHVRB-UHFFFAOYSA-N 0 0 446.554 2.544 50 0 IFAARN CN(C)c1nc(N)nc(CSc2nnc(CCc3ccccc3O)n2-c2ccccc2)n1 ZINC000001426269 555695887 /nfs/dbraw/zinc/69/58/87/555695887.db2.gz OHFIWYUGZMKHOZ-UHFFFAOYSA-N 0 0 448.556 2.884 50 0 IFAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)cc2)CC1=O ZINC000001461413 555700498 /nfs/dbraw/zinc/70/04/98/555700498.db2.gz ZQUHIZNGLHHKTL-CYBMUJFWSA-N 0 0 442.855 2.961 50 0 IFAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)N1CCOCC1 ZINC000001465778 555700916 /nfs/dbraw/zinc/70/09/16/555700916.db2.gz CCRRZBRBSYPNFP-UHFFFAOYSA-N 0 0 427.551 2.887 50 0 IFAARN CCNC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000002179187 555753039 /nfs/dbraw/zinc/75/30/39/555753039.db2.gz RCNGPMKVYBKEAZ-UHFFFAOYSA-N 0 0 444.294 2.623 50 0 IFAARN CN(Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl)Cc1ccccc1 ZINC000002373194 555773197 /nfs/dbraw/zinc/77/31/97/555773197.db2.gz LYVVIETWFMWMJP-UHFFFAOYSA-N 0 0 437.931 2.767 50 0 IFAARN Cc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)c(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000002519689 555785626 /nfs/dbraw/zinc/78/56/26/555785626.db2.gz YNFAPLJQLPWXCO-UHFFFAOYSA-N 0 0 449.554 2.818 50 0 IFAARN Cc1c(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)c(=O)n(-c2ccccc2)n1C ZINC000002658100 555793545 /nfs/dbraw/zinc/79/35/45/555793545.db2.gz HJGDJBZYDUQVIG-UHFFFAOYSA-N 0 0 449.540 2.808 50 0 IFAARN CC1CCN(c2nc3c(c(N4CCN(C)CC4)n2)CN(C(=O)c2ccccc2)CC3)CC1 ZINC000034676677 555794625 /nfs/dbraw/zinc/79/46/25/555794625.db2.gz GNVAPMDVSHZTGG-UHFFFAOYSA-N 0 0 434.588 2.663 50 0 IFAARN COCCN(C[C@@H]1CN(C[C@@H](O)C(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000034691453 555804167 /nfs/dbraw/zinc/80/41/67/555804167.db2.gz LFWWSUFYDGEFMG-RBUKOAKNSA-N 0 0 432.483 2.512 50 0 IFAARN O=c1c2c(ncn2Cc2ccccc2)n(-c2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 ZINC000034692670 555805014 /nfs/dbraw/zinc/80/50/14/555805014.db2.gz KUSOILGDDFYWOM-QGZVFWFLSA-N 0 0 438.434 2.854 50 0 IFAARN O=C(CCSCCC(=O)NCc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 ZINC000002745064 555808582 /nfs/dbraw/zinc/80/85/82/555808582.db2.gz UGVWZBXMMQZCDQ-UHFFFAOYSA-N 0 0 444.509 2.590 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2ccccc2Cl)n(-c2cccc(F)c2)c1=O ZINC000034694034 555809139 /nfs/dbraw/zinc/80/91/39/555809139.db2.gz HMEYTLWJIJSEBT-UHFFFAOYSA-N 0 0 428.851 2.836 50 0 IFAARN COc1cc(C=O)cc(I)c1OCC(=O)NCc1ccccc1 ZINC000002760308 555812032 /nfs/dbraw/zinc/81/20/32/555812032.db2.gz ZLELEQWWTUGASW-UHFFFAOYSA-N 0 0 425.222 2.808 50 0 IFAARN CN(Cc1ccccc1)C(=O)c1coc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000034684370 555819781 /nfs/dbraw/zinc/81/97/81/555819781.db2.gz XYWCMTNHGNOGMG-UHFFFAOYSA-N 0 0 448.523 2.993 50 0 IFAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1 ZINC000002836887 555833482 /nfs/dbraw/zinc/83/34/82/555833482.db2.gz VUHMWKQAAZXECQ-UHFFFAOYSA-N 0 0 439.497 2.958 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nnnn2-c2c(C)cccc2C)cc1OC ZINC000002837065 555833793 /nfs/dbraw/zinc/83/37/93/555833793.db2.gz SHQKCQUQXXIKBE-UHFFFAOYSA-N 0 0 427.530 2.747 50 0 IFAARN C[C@@H](NC(=O)CSc1nnc(CNC(=O)c2ccc(F)cc2)n1C)c1ccccc1 ZINC000002861335 555844753 /nfs/dbraw/zinc/84/47/53/555844753.db2.gz SFAZQGRRNKTUIF-CQSZACIVSA-N 0 0 427.505 2.854 50 0 IFAARN COc1ccc(OC)c(NC(=O)CSc2nnc(CCCO)n2-c2ccccc2)c1 ZINC000002863059 555845839 /nfs/dbraw/zinc/84/58/39/555845839.db2.gz PLUPVALNGYUBSQ-UHFFFAOYSA-N 0 0 428.514 2.940 50 0 IFAARN O=C1N[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1c1ccc(Cl)cc1 ZINC000002863463 555846004 /nfs/dbraw/zinc/84/60/04/555846004.db2.gz SBQHAESPWJYUFS-HNNXBMFYSA-N 0 0 433.795 2.633 50 0 IFAARN COc1ccccc1NC(=O)CSc1nnc(CC(=O)Nc2ccc(F)cc2)n1C ZINC000002872250 555850454 /nfs/dbraw/zinc/85/04/54/555850454.db2.gz SPZHRBUOCWQKKD-UHFFFAOYSA-N 0 0 429.477 2.875 50 0 IFAARN CCN(CC)C(=O)C(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12 ZINC000002873146 555850725 /nfs/dbraw/zinc/85/07/25/555850725.db2.gz LWOJZINTWOYBNK-UHFFFAOYSA-N 0 0 435.480 2.738 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)CC1 ZINC000002875862 555852224 /nfs/dbraw/zinc/85/22/24/555852224.db2.gz JRJYSIWCXRDLIR-UHFFFAOYSA-N 0 0 437.378 2.922 50 0 IFAARN CCN(CC(=O)Nc1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000002879681 555854311 /nfs/dbraw/zinc/85/43/11/555854311.db2.gz YKKCUXYCEFNFNV-UHFFFAOYSA-N 0 0 444.294 2.941 50 0 IFAARN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000002886446 555858409 /nfs/dbraw/zinc/85/84/09/555858409.db2.gz OQOORCVHDDPVJD-HNNXBMFYSA-N 0 0 432.498 2.521 50 0 IFAARN CCOc1cc(C(=S)N2CCOCC2)ccc1OS(=O)(=O)c1ccc(OC)cc1 ZINC000002960516 555867693 /nfs/dbraw/zinc/86/76/93/555867693.db2.gz DMHBDVYYGXBBEL-UHFFFAOYSA-N 0 0 437.539 2.869 50 0 IFAARN COC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)cc1 ZINC000003130770 555890170 /nfs/dbraw/zinc/89/01/70/555890170.db2.gz YIZPDFJTQRVDLE-NSHDSACASA-N 0 0 427.741 2.727 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1cc2n(n1)CCN(Cc1cccc(Cl)c1)C2=O ZINC000034811114 555908839 /nfs/dbraw/zinc/90/88/39/555908839.db2.gz ITYLITKSCWYSNP-UHFFFAOYSA-N 0 0 438.871 2.851 50 0 IFAARN COc1ccc(CCNC(=O)c2[nH]nc3c2CN(C(=O)Cc2cccc(C)c2)CC3)cc1 ZINC000034831998 555912655 /nfs/dbraw/zinc/91/26/55/555912655.db2.gz MMCZQPZIHZNLHP-UHFFFAOYSA-N 0 0 432.524 2.827 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3cc4c(cc3nc2Cl)OCCO4)cc1 ZINC000003300012 555916301 /nfs/dbraw/zinc/91/63/01/555916301.db2.gz GYTPGODFLSBUJH-UHFFFAOYSA-N 0 0 434.861 2.814 50 0 IFAARN CN1C2=C(C(=O)N(CC(=O)NCc3ccc(F)cc3)C2)[C@@H](c2ccccc2Cl)NC1=O ZINC000034792828 555916619 /nfs/dbraw/zinc/91/66/19/555916619.db2.gz BCYBIUOGULRGFP-HXUWFJFHSA-N 0 0 442.878 2.588 50 0 IFAARN COc1ccccc1[C@@H]1NC(=O)N(C)C2=C1C(=O)N(CC(=O)Nc1ccc(C)c(C)c1)C2 ZINC000034793156 555916866 /nfs/dbraw/zinc/91/68/66/555916866.db2.gz FKBSQYZBEJCVJQ-QFIPXVFZSA-N 0 0 434.496 2.743 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3noc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000034904968 555919282 /nfs/dbraw/zinc/91/92/82/555919282.db2.gz SLCNFTQNWACIOH-UHFFFAOYSA-N 0 0 448.932 2.905 50 0 IFAARN CCOC(=O)CN(CCNP(=O)(OCC)OCC)CP(=O)(OCC)OCC ZINC000034876605 555926072 /nfs/dbraw/zinc/92/60/72/555926072.db2.gz UDSIBKMEBNZMAP-UHFFFAOYSA-N 0 0 432.391 2.846 50 0 IFAARN CCOC(=O)[C@@]1(C(F)(F)F)N=C(N2CCOCC2)Oc2c1c(C)nn2-c1ccccc1 ZINC000003612156 555940734 /nfs/dbraw/zinc/94/07/34/555940734.db2.gz NPINOMQCEYKMEP-IBGZPJMESA-N 0 0 438.406 2.582 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NC[C@H]1CCCO1 ZINC000004196220 555975414 /nfs/dbraw/zinc/97/54/14/555975414.db2.gz RNCYDAXJMHNPDJ-OAHLLOKOSA-N 0 0 430.954 2.625 50 0 IFAARN COc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCC(C)C)CC3=O)cc2)c1 ZINC000004196736 555975639 /nfs/dbraw/zinc/97/56/39/555975639.db2.gz LMBNBFSQOZZNQY-QGZVFWFLSA-N 0 0 439.512 2.838 50 0 IFAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)NCc4ccco4)CC3)ccc21 ZINC000009528860 556001119 /nfs/dbraw/zinc/00/11/19/556001119.db2.gz FBQMSBOHVBQFGQ-UHFFFAOYSA-N 0 0 430.530 2.860 50 0 IFAARN CCNC(=O)C[C@H]1C(=O)N(c2ccccc2)C(=O)N1CCc1ccc(OC)c(OC)c1 ZINC000005027798 556028933 /nfs/dbraw/zinc/02/89/33/556028933.db2.gz YENAODGBHTUOJX-SFHVURJKSA-N 0 0 425.485 2.610 50 0 IFAARN O=C(NC1CCCCC1)[C@H]1[C@H](C(=O)NC2CCCCC2)C(=O)C(=O)N1C1CCCCC1 ZINC000005725542 556064258 /nfs/dbraw/zinc/06/42/58/556064258.db2.gz GVHDWWRDXRZYHT-VQTJNVASSA-N 0 0 431.577 2.613 50 0 IFAARN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccncc1 ZINC000006023555 556072479 /nfs/dbraw/zinc/07/24/79/556072479.db2.gz HILDYDZVQRXXOI-UHFFFAOYSA-N 0 0 425.510 2.564 50 0 IFAARN O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2 ZINC000006015715 556072542 /nfs/dbraw/zinc/07/25/42/556072542.db2.gz TZVFNKUWVDFRFK-GWJCSSMESA-N 0 0 434.539 2.789 50 0 IFAARN O=C(COC(=O)c1sccc1S(=O)(=O)N1CCCCC1)NCC1CCCCC1 ZINC000010569544 556072960 /nfs/dbraw/zinc/07/29/60/556072960.db2.gz VFGNKEIMHULUHL-UHFFFAOYSA-N 0 0 428.576 2.776 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000006243258 556081878 /nfs/dbraw/zinc/08/18/78/556081878.db2.gz KWNVZOBIIXDKGR-JAORQVBISA-N 0 0 449.532 2.590 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000006243280 556082262 /nfs/dbraw/zinc/08/22/62/556082262.db2.gz TXABUOHZURGFPX-CNSVBDKNSA-N 0 0 449.532 2.590 50 0 IFAARN CCOC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@@H]1c1ccccc1Cl ZINC000006544915 556093863 /nfs/dbraw/zinc/09/38/63/556093863.db2.gz MEEYKWWKAAHSRV-MFKMUULPSA-N 0 0 436.917 2.909 50 0 IFAARN CCS(=O)(=O)Oc1cc(CN(C[C@@H]2CCCO2)C(=O)NC(C)(C)C)ccc1OC ZINC000006801054 556104511 /nfs/dbraw/zinc/10/45/11/556104511.db2.gz ALFIKGPCILCKEX-INIZCTEOSA-N 0 0 428.551 2.913 50 0 IFAARN CCOC(=O)[C@@H](C)Oc1cccc2c1ccn(CC(=O)NCc1ccc(F)cc1)c2=O ZINC000002712351 556125577 /nfs/dbraw/zinc/12/55/77/556125577.db2.gz BGAAFMPMYBBQHT-OAHLLOKOSA-N 0 0 426.444 2.787 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1 ZINC000002712515 556125934 /nfs/dbraw/zinc/12/59/34/556125934.db2.gz LDBQNVRTTZRJBD-UHFFFAOYSA-N 0 0 449.876 2.590 50 0 IFAARN CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1-c1ccccc1OC ZINC000002723997 556129156 /nfs/dbraw/zinc/12/91/56/556129156.db2.gz IPEJARCNNYSEBV-UHFFFAOYSA-N 0 0 440.525 2.790 50 0 IFAARN CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C(=O)OCCOC)CCCC3)n(C)n1 ZINC000002730574 556134273 /nfs/dbraw/zinc/13/42/73/556134273.db2.gz LBODGVSNPKGVEI-UHFFFAOYSA-N 0 0 435.502 2.593 50 0 IFAARN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)COc1ccc2ccccc2c1 ZINC000010593438 556150574 /nfs/dbraw/zinc/15/05/74/556150574.db2.gz ODRNEWOCGZKPEE-UHFFFAOYSA-N 0 0 436.464 2.834 50 0 IFAARN O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000002952043 556151478 /nfs/dbraw/zinc/15/14/78/556151478.db2.gz PWNCUJAXRGCYQM-UHFFFAOYSA-N 0 0 438.503 2.738 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000003007720 556156986 /nfs/dbraw/zinc/15/69/86/556156986.db2.gz KRTNILSITZONBB-IBGZPJMESA-N 0 0 447.535 2.820 50 0 IFAARN O=C(Cn1cc(C(=O)C(=O)N2CCCc3ccccc32)c2ccccc21)N1CCOCC1 ZINC000003007727 556157006 /nfs/dbraw/zinc/15/70/06/556157006.db2.gz KTBRKLQNHJCIRC-UHFFFAOYSA-N 0 0 431.492 2.662 50 0 IFAARN CC(=O)c1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 ZINC000003007751 556157032 /nfs/dbraw/zinc/15/70/32/556157032.db2.gz GAHFPYNGWZUKQG-UHFFFAOYSA-N 0 0 433.464 2.524 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1cccs1 ZINC000008443640 556178423 /nfs/dbraw/zinc/17/84/23/556178423.db2.gz ZCDRLYKQKVPDRA-FYXHJSOBSA-N 0 0 426.519 2.565 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000008575351 556187568 /nfs/dbraw/zinc/18/75/68/556187568.db2.gz PIDTVBMVDNBPOI-QIPHDZALSA-N 0 0 426.519 2.565 50 0 IFAARN CCN(C(=O)Cn1c2ccc(S(=O)(=O)N3CCCCC3)cc2oc1=O)c1ccccc1 ZINC000008604786 556191667 /nfs/dbraw/zinc/19/16/67/556191667.db2.gz IPCDESMISQDKHV-UHFFFAOYSA-N 0 0 443.525 2.822 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nnc3ccccn32)c1 ZINC000008745000 556208793 /nfs/dbraw/zinc/20/87/93/556208793.db2.gz GOIBPXPTXXYHAD-SFHVURJKSA-N 0 0 427.530 2.737 50 0 IFAARN CC(C)OC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1ccccc1C(F)(F)F ZINC000008748190 556210328 /nfs/dbraw/zinc/21/03/28/556210328.db2.gz JRTIAKFTPBQKSU-AWEZNQCLSA-N 0 0 425.359 2.797 50 0 biogenic,in-vitro IFAARN CC(C)OC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@@H]1c1ccccc1C(F)(F)F ZINC000008748187 556210361 /nfs/dbraw/zinc/21/03/61/556210361.db2.gz JRTIAKFTPBQKSU-CQSZACIVSA-N 0 0 425.359 2.797 50 0 biogenic,in-vitro IFAARN Cn1c2nc(N3CCc4ccccc4C3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000008775049 556214009 /nfs/dbraw/zinc/21/40/09/556214009.db2.gz UJPXIPLKUHBAGE-UHFFFAOYSA-N 0 0 435.915 2.698 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(CCCOc1ccccc1)C2=O ZINC000008843691 556226710 /nfs/dbraw/zinc/22/67/10/556226710.db2.gz IYPXFFPMELFPKP-JOCHJYFZSA-N 0 0 438.509 2.658 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000008857598 556227791 /nfs/dbraw/zinc/22/77/91/556227791.db2.gz ZTSKBTRYOOXBCA-UHFFFAOYSA-N 0 0 437.477 2.502 50 0 IFAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@]1(c2ccccc2N(C)C1=O)N(C[C@H]1CCCO1)C3=O ZINC000008917027 556232736 /nfs/dbraw/zinc/23/27/36/556232736.db2.gz MJJXOFCZCPJQMF-SGANQWHYSA-N 0 0 430.460 2.956 50 0 IFAARN COCCNC(=O)c1cnn2c1N[C@H](c1ccc(OC)c(OC)c1)C[C@@H]2C(F)(F)F ZINC000008926502 556234442 /nfs/dbraw/zinc/23/44/42/556234442.db2.gz HEYBVVWRKFIYPB-XJKSGUPXSA-N 0 0 428.411 2.937 50 0 IFAARN Cn1c2cc(Cl)c(S(=O)(=O)NCCOc3cccc4cccnc43)cc2oc1=O ZINC000008971827 556237692 /nfs/dbraw/zinc/23/76/92/556237692.db2.gz ZTSMRHNXHUNANH-UHFFFAOYSA-N 0 0 433.873 2.690 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009010453 556240910 /nfs/dbraw/zinc/24/09/10/556240910.db2.gz BIRBJAQJUXOFAO-UHFFFAOYSA-N 0 0 436.555 2.664 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2cc3c4c(c2)c(C)cc(=O)n4CCC3)cc1OC ZINC000009031707 556242040 /nfs/dbraw/zinc/24/20/40/556242040.db2.gz UJBBWKUUSKLILJ-UHFFFAOYSA-N 0 0 442.537 2.794 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3cccnc3)CC2=O)cc1 ZINC000009095638 556246727 /nfs/dbraw/zinc/24/67/27/556246727.db2.gz DKNCMVXWABYPPL-KRWDZBQOSA-N 0 0 444.557 2.884 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)CC1 ZINC000009190935 556253204 /nfs/dbraw/zinc/25/32/04/556253204.db2.gz WCPPLTSIXDVQGM-QGZVFWFLSA-N 0 0 433.574 2.837 50 0 IFAARN Cn1c2ncn(CCC(=O)Nc3ccccc3Sc3ccccc3)c2c(=O)n(C)c1=O ZINC000009191187 556253719 /nfs/dbraw/zinc/25/37/19/556253719.db2.gz LTQSQGGSGIEUHG-UHFFFAOYSA-N 0 0 435.509 2.614 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(Br)o1 ZINC000009268472 556270690 /nfs/dbraw/zinc/27/06/90/556270690.db2.gz BSHNJQBRRJLGEV-GFCCVEGCSA-N 0 0 429.292 2.752 50 0 IFAARN CCOc1ccc(N2C[C@H](C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)CC2=O)cc1 ZINC000009288733 556273406 /nfs/dbraw/zinc/27/34/06/556273406.db2.gz NKVMEBXJBBUQJV-MRXNPFEDSA-N 0 0 440.452 2.650 50 0 IFAARN CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 ZINC000009288786 556273457 /nfs/dbraw/zinc/27/34/57/556273457.db2.gz FZCDRDGMSDZIAD-MRXNPFEDSA-N 0 0 445.541 2.765 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000009303625 556276142 /nfs/dbraw/zinc/27/61/42/556276142.db2.gz IAHGMVZUNGMGSZ-CQSZACIVSA-N 0 0 428.308 2.846 50 0 IFAARN O=C(c1cccnc1Cl)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1 ZINC000009305999 556276838 /nfs/dbraw/zinc/27/68/38/556276838.db2.gz DFOLWTXFZDEICX-UHFFFAOYSA-N 0 0 436.965 2.978 50 0 IFAARN CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000013688581 556278375 /nfs/dbraw/zinc/27/83/75/556278375.db2.gz WVJYUWCNJCOGQY-UHFFFAOYSA-N 0 0 444.918 2.606 50 0 IFAARN COC(=O)C1CCN(C(=O)c2cc3ccccc3nc2C2=NC(=O)[C@](C)(C(C)C)N2)CC1 ZINC000013690735 556280083 /nfs/dbraw/zinc/28/00/83/556280083.db2.gz NGPSXHZYASGFMT-DEOSSOPVSA-N 0 0 436.512 2.551 50 0 IFAARN COc1ccc(C(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)cc1 ZINC000009327516 556282029 /nfs/dbraw/zinc/28/20/29/556282029.db2.gz LGCCAVOGTSETDJ-UHFFFAOYSA-N 0 0 428.489 2.910 50 0 IFAARN Cc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCCc3c[nH]c4ccccc34)ccc12 ZINC000013692704 556282389 /nfs/dbraw/zinc/28/23/89/556282389.db2.gz ZTPPMQFYJIOPHB-UHFFFAOYSA-N 0 0 447.491 2.745 50 0 IFAARN COc1ccc(-c2cc3ccc(OCC(=O)N4CCN(C)CC4)cc3oc2=O)cc1OC ZINC000013693238 556282648 /nfs/dbraw/zinc/28/26/48/556282648.db2.gz AKMDDGDOJQAPCJ-UHFFFAOYSA-N 0 0 438.480 2.630 50 0 IFAARN O=S(=O)(c1nc(-c2ccccc2)oc1N1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000013693756 556282840 /nfs/dbraw/zinc/28/28/40/556282840.db2.gz DZSBLUHPXXQALR-UHFFFAOYSA-N 0 0 428.466 2.782 50 0 IFAARN COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc1)c2=O ZINC000013693271 556282919 /nfs/dbraw/zinc/28/29/19/556282919.db2.gz XBLBVBSQZQXPHG-OAHLLOKOSA-N 0 0 443.477 2.819 50 0 IFAARN O=C(Nc1ccc(Cn2cncn2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013693402 556282924 /nfs/dbraw/zinc/28/29/24/556282924.db2.gz YSTRLQOAUHBKLP-UHFFFAOYSA-N 0 0 443.504 2.505 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009355822 556284635 /nfs/dbraw/zinc/28/46/35/556284635.db2.gz IMSNPBPYIBCKND-CRAIPNDOSA-N 0 0 425.460 2.726 50 0 IFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(F)c3)C2)c1 ZINC000009381015 556287092 /nfs/dbraw/zinc/28/70/92/556287092.db2.gz ZZFHNSDSCNPPRD-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN COc1ccc(C[C@H](C)NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1OC ZINC000009409624 556287779 /nfs/dbraw/zinc/28/77/79/556287779.db2.gz QULWRUUHEYWLQX-NSHDSACASA-N 0 0 440.905 2.712 50 0 IFAARN Cc1c(C)n(Cc2ccccn2)c2ncn3nc(CN4C(=O)c5ccccc5C4=O)nc3c12 ZINC000009422270 556289553 /nfs/dbraw/zinc/28/95/53/556289553.db2.gz MDQJBVQLHMBYSS-UHFFFAOYSA-N 0 0 437.463 2.935 50 0 IFAARN Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1C ZINC000009525895 556296393 /nfs/dbraw/zinc/29/63/93/556296393.db2.gz UNRVLANRBZQVFT-MRXNPFEDSA-N 0 0 443.887 2.632 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CC(=O)N(C)C2=O)c(OCc2ccccc2Cl)c1 ZINC000013734386 556297223 /nfs/dbraw/zinc/29/72/23/556297223.db2.gz XPTHDGJGUBLSIJ-UHFFFAOYSA-N 0 0 437.905 2.568 50 0 IFAARN COc1cc(-c2nc(CC(=O)N3CCC4(CC3)OCCO4)cs2)cc(OC)c1OC ZINC000013734612 556297226 /nfs/dbraw/zinc/29/72/26/556297226.db2.gz UWIDTRKFDXIGBT-UHFFFAOYSA-N 0 0 434.514 2.744 50 0 IFAARN COc1cccc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)c1OC ZINC000013734051 556297243 /nfs/dbraw/zinc/29/72/43/556297243.db2.gz UASAJKZYTLTOBP-DENIHFKCSA-N 0 0 440.521 2.948 50 0 IFAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000013752000 556299414 /nfs/dbraw/zinc/29/94/14/556299414.db2.gz RAFNRZUCCNHXGV-UHFFFAOYSA-N 0 0 434.481 2.811 50 0 IFAARN COc1ccc(OCc2nnc(SCC(=O)NCCSc3ccccc3)n2N)cc1 ZINC000032739545 556300068 /nfs/dbraw/zinc/30/00/68/556300068.db2.gz TVRDAXVDGLWEKG-UHFFFAOYSA-N 0 0 445.570 2.580 50 0 IFAARN CC[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000009580601 556300485 /nfs/dbraw/zinc/30/04/85/556300485.db2.gz BCGDBAMRJVSOMS-IBGZPJMESA-N 0 0 426.904 2.643 50 0 IFAARN COc1ccc(CN(C(=O)COc2c(C)cccc2C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000013757452 556301143 /nfs/dbraw/zinc/30/11/43/556301143.db2.gz NUIIUJCDICIRJT-IBGZPJMESA-N 0 0 447.553 2.915 50 0 IFAARN COCCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)cc1 ZINC000009593899 556301461 /nfs/dbraw/zinc/30/14/61/556301461.db2.gz UWVHMCFILZXESM-MOPGFXCFSA-N 0 0 439.541 2.866 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000013765337 556302826 /nfs/dbraw/zinc/30/28/26/556302826.db2.gz QTRQDJNDEKAHHF-VOMPUTFMSA-N 0 0 438.480 2.556 50 0 IFAARN COc1cc(C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)ccc1OC(C)C ZINC000032741404 556303103 /nfs/dbraw/zinc/30/31/03/556303103.db2.gz XTZSWYABFFBLIR-SFHVURJKSA-N 0 0 449.573 2.928 50 0 IFAARN CC(C)NC(=O)NCc1ccc(C(=O)OCC(=O)Nc2cccc3nsnc32)cc1 ZINC000032741854 556303661 /nfs/dbraw/zinc/30/36/61/556303661.db2.gz SKWNMXMZKYMEHG-UHFFFAOYSA-N 0 0 427.486 2.694 50 0 IFAARN COC(CNC(=O)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2)OC ZINC000009661663 556304654 /nfs/dbraw/zinc/30/46/54/556304654.db2.gz XPOTXFIKQKHPFI-UHFFFAOYSA-N 0 0 432.480 2.536 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000009698679 556306610 /nfs/dbraw/zinc/30/66/10/556306610.db2.gz LMFATCRPVKZAPJ-APWZRJJASA-N 0 0 437.496 2.596 50 0 IFAARN COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1Cl ZINC000009695205 556306625 /nfs/dbraw/zinc/30/66/25/556306625.db2.gz YRUHOSLZAZFKQJ-RDDDGLTNSA-N 0 0 443.308 2.782 50 0 IFAARN COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1Cl ZINC000009695203 556306697 /nfs/dbraw/zinc/30/66/97/556306697.db2.gz YRUHOSLZAZFKQJ-HQJQHLMTSA-N 0 0 443.308 2.782 50 0 IFAARN COC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1Cl ZINC000009695204 556306699 /nfs/dbraw/zinc/30/66/99/556306699.db2.gz YRUHOSLZAZFKQJ-CPCISQLKSA-N 0 0 443.308 2.782 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000009698681 556306708 /nfs/dbraw/zinc/30/67/08/556306708.db2.gz LMFATCRPVKZAPJ-LPHOPBHVSA-N 0 0 437.496 2.596 50 0 IFAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000032738199 556307491 /nfs/dbraw/zinc/30/74/91/556307491.db2.gz VBJXSOZHCSXMFR-UHFFFAOYSA-N 0 0 432.480 2.623 50 0 IFAARN CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(F)cc3)CC2)s1 ZINC000013776562 556307521 /nfs/dbraw/zinc/30/75/21/556307521.db2.gz LAQBYFZSEQIHBA-UHFFFAOYSA-N 0 0 433.553 2.939 50 0 IFAARN CCCn1c2sc3c(c2c(=O)n(-c2cccc(C(C)=O)c2)c1=O)CCN(C(C)=O)C3 ZINC000009830519 556311045 /nfs/dbraw/zinc/31/10/45/556311045.db2.gz MOWPXRXZRGYPBP-UHFFFAOYSA-N 0 0 425.510 2.731 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)NC2CCCCC2)C1 ZINC000009830722 556311619 /nfs/dbraw/zinc/31/16/19/556311619.db2.gz ORYQUAXNGXDOMN-HZPDHXFCSA-N 0 0 449.573 2.710 50 0 IFAARN CC1CCC(NC(=O)Cn2c3ccc(S(=O)(=O)NC4CCCC4)cc3oc2=O)CC1 ZINC000009830646 556311639 /nfs/dbraw/zinc/31/16/39/556311639.db2.gz OSTHGIRBSKDQKR-UHFFFAOYSA-N 0 0 435.546 2.510 50 0 IFAARN C[C@@H]1CCCN(C(=O)Cn2c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3oc2=O)C1 ZINC000009830777 556311664 /nfs/dbraw/zinc/31/16/64/556311664.db2.gz BSCSGUDMEFQRHM-IKGGRYGDSA-N 0 0 449.573 2.520 50 0 IFAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCOC)cc1 ZINC000009846520 556313490 /nfs/dbraw/zinc/31/34/90/556313490.db2.gz IJVHAZXNSPIINR-HXUWFJFHSA-N 0 0 441.484 2.906 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)ccc1OC ZINC000032745319 556315113 /nfs/dbraw/zinc/31/51/13/556315113.db2.gz UGGXKCUCKLOJJV-LBPRGKRZSA-N 0 0 447.469 2.580 50 0 IFAARN C[C@@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1cc2ccccc2o1 ZINC000032745386 556315416 /nfs/dbraw/zinc/31/54/16/556315416.db2.gz COUALHFXXJZSOR-GFCCVEGCSA-N 0 0 444.538 2.936 50 0 IFAARN CC[C@H](NC(=O)CNC(=O)CNC(=O)c1cccs1)c1ccc(Br)cc1 ZINC000032748024 556316791 /nfs/dbraw/zinc/31/67/91/556316791.db2.gz HYWKYIZZXSAFBC-AWEZNQCLSA-N 0 0 438.347 2.624 50 0 IFAARN CC[C@@H](NC(=O)CNC(=O)CNC(=O)c1cccs1)c1ccc(Br)cc1 ZINC000032748023 556316983 /nfs/dbraw/zinc/31/69/83/556316983.db2.gz HYWKYIZZXSAFBC-CQSZACIVSA-N 0 0 438.347 2.624 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)Cc2cc(OC)c(OC)cc2Br)CC1 ZINC000032748034 556316989 /nfs/dbraw/zinc/31/69/89/556316989.db2.gz WSCIMMNODDUHOO-UHFFFAOYSA-N 0 0 429.311 2.746 50 0 IFAARN COc1cc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000013841224 556317803 /nfs/dbraw/zinc/31/78/03/556317803.db2.gz PLVPDLJXSQVHLE-UHFFFAOYSA-N 0 0 439.534 2.546 50 0 IFAARN O=C(Nc1ccccc1)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)CC1 ZINC000032759254 556319073 /nfs/dbraw/zinc/31/90/73/556319073.db2.gz LPIWXLRMABKGIB-QGZVFWFLSA-N 0 0 426.542 2.977 50 0 IFAARN Cn1c2nc(OCC(F)(F)F)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O ZINC000009974945 556319783 /nfs/dbraw/zinc/31/97/83/556319783.db2.gz AFQTZYNCOCCKJP-UHFFFAOYSA-N 0 0 437.205 2.730 50 0 IFAARN O=C(c1ccccc1)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000032760438 556320440 /nfs/dbraw/zinc/32/04/40/556320440.db2.gz NCDXLEOALXLVBT-HXUWFJFHSA-N 0 0 425.916 2.929 50 0 IFAARN CCN(CC(=O)NC[C@@H]1COc2ccccc2O1)CC(=O)Nc1cc(Cl)ccc1C ZINC000032753369 556322530 /nfs/dbraw/zinc/32/25/30/556322530.db2.gz WYOJIQPLRRSSJN-QGZVFWFLSA-N 0 0 431.920 2.865 50 0 IFAARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)O[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000032776485 556326596 /nfs/dbraw/zinc/32/65/96/556326596.db2.gz NPUHROPIDMXLLJ-SWLSCSKDSA-N 0 0 426.469 2.764 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)NC(=O)N[C@H]1c1ccco1 ZINC000032776521 556326629 /nfs/dbraw/zinc/32/66/29/556326629.db2.gz INWAIPXFPOTPSH-WMZOPIPTSA-N 0 0 446.843 2.651 50 0 IFAARN C[C@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032776912 556326934 /nfs/dbraw/zinc/32/69/34/556326934.db2.gz PQZHVDCQKPBODG-HNNXBMFYSA-N 0 0 444.509 2.542 50 0 IFAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000032768266 556333211 /nfs/dbraw/zinc/33/32/11/556333211.db2.gz GDIOAMMJSSURCZ-GOSISDBHSA-N 0 0 434.508 2.633 50 0 IFAARN COc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O ZINC000032768453 556333274 /nfs/dbraw/zinc/33/32/74/556333274.db2.gz OYTWJHXORKREJK-UHFFFAOYSA-N 0 0 440.283 2.577 50 0 IFAARN NC(=O)CCN(C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000032769001 556333857 /nfs/dbraw/zinc/33/38/57/556333857.db2.gz BNQYUJYRSSKKBJ-IBGZPJMESA-N 0 0 427.476 2.642 50 0 IFAARN O=C(CCc1nc(-c2ccsc2)no1)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000032776333 556337376 /nfs/dbraw/zinc/33/73/76/556337376.db2.gz MBISWKGJCSQVQZ-LJQANCHMSA-N 0 0 427.482 2.874 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000013942369 556339397 /nfs/dbraw/zinc/33/93/97/556339397.db2.gz KRLJUCIJHWEKPK-UHFFFAOYSA-N 0 0 444.553 2.992 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)CC2 ZINC000032779744 556345092 /nfs/dbraw/zinc/34/50/92/556345092.db2.gz KVYZLTGQOMEOOY-NRFANRHFSA-N 0 0 425.529 2.845 50 0 IFAARN O=C(Cn1nc(C(F)F)c(Br)c1C1CC1)N1NC=C[C@@]1(O)C(F)(F)F ZINC000013960182 556347374 /nfs/dbraw/zinc/34/73/74/556347374.db2.gz RAPYNLFGGJDRSE-GFCCVEGCSA-N 0 0 431.159 2.930 50 0 IFAARN COc1ccc(OCCN2CCN([C@@H](C)C(=O)Nc3ccc(N(C)C)cc3)CC2)cc1 ZINC000022925592 556348067 /nfs/dbraw/zinc/34/80/67/556348067.db2.gz SLOBZAPJIMIKRU-IBGZPJMESA-N 0 0 426.561 2.785 50 0 IFAARN COc1ccc(F)c(C[C@@]2(CCC(=O)N(C)C[C@@H](O)c3ccccc3)CCC(=O)N2)c1 ZINC000011783481 556351841 /nfs/dbraw/zinc/35/18/41/556351841.db2.gz AXCLSLQJVVPSEI-QPPBQGQZSA-N 0 0 428.504 2.998 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000013992361 556353115 /nfs/dbraw/zinc/35/31/15/556353115.db2.gz BVMSZZWYVBMYQJ-UHFFFAOYSA-N 0 0 447.466 2.676 50 0 IFAARN O=C(Cn1cc(NC(=O)c2ccccc2F)cn1)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000011785496 556353212 /nfs/dbraw/zinc/35/32/12/556353212.db2.gz XWMFMZIQIBHBHS-LJQANCHMSA-N 0 0 437.475 2.877 50 0 IFAARN COCCN1C(=O)C[C@@](CC(=O)N2CCC[C@@H]2c2nccs2)(c2ccccc2F)C1=O ZINC000011787863 556354179 /nfs/dbraw/zinc/35/41/79/556354179.db2.gz KPCFJKVPRZVCEU-VGSWGCGISA-N 0 0 445.516 2.679 50 0 IFAARN CCN1CCN(C(=O)c2cc(NC(=O)COC)cc3ncn(CCc4ccccc4)c32)CC1 ZINC000011789079 556354516 /nfs/dbraw/zinc/35/45/16/556354516.db2.gz XQSQZJUWKIHWCJ-UHFFFAOYSA-N 0 0 449.555 2.642 50 0 IFAARN O=C(OCCOc1cccc(Br)c1)c1ccccc1CN1C(=O)CNC1=O ZINC000014014305 556355154 /nfs/dbraw/zinc/35/51/54/556355154.db2.gz UFFTXXKGXXXARB-UHFFFAOYSA-N 0 0 433.258 2.737 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N(C)C)c2)c1C ZINC000014015669 556355535 /nfs/dbraw/zinc/35/55/35/556355535.db2.gz SDWPSMACYHSICE-UHFFFAOYSA-N 0 0 437.518 2.710 50 0 IFAARN COC(=O)[C@@H](NC(=O)c1cc2ncn(CCc3ccccn3)c2c(NC(C)=O)c1)C(C)C ZINC000011791011 556356129 /nfs/dbraw/zinc/35/61/29/556356129.db2.gz NIRDNUNXWNYPGU-FQEVSTJZSA-N 0 0 437.500 2.560 50 0 IFAARN COc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CC(Cc3ccc(F)cc3)=NO2)CC1 ZINC000011812823 556356459 /nfs/dbraw/zinc/35/64/59/556356459.db2.gz CSKZJLHGAVJLHT-OAQYLSRUSA-N 0 0 425.460 2.506 50 0 IFAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)Cn2nccc2C)cc1OCC1(C)COC1 ZINC000011814370 556357577 /nfs/dbraw/zinc/35/75/77/556357577.db2.gz MBKUQFYQLOHVGY-FQEVSTJZSA-N 0 0 443.544 2.823 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000014070731 556360801 /nfs/dbraw/zinc/36/08/01/556360801.db2.gz OGVNXPVGZIUUMT-UHFFFAOYSA-N 0 0 425.441 2.688 50 0 IFAARN O=C([C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCC1 ZINC000014082985 556362810 /nfs/dbraw/zinc/36/28/10/556362810.db2.gz RUZATDBMKVYMFQ-HXUWFJFHSA-N 0 0 433.599 2.808 50 0 IFAARN COc1ccc2c(C)c(CCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)c(=O)oc2c1 ZINC000014079684 556362827 /nfs/dbraw/zinc/36/28/27/556362827.db2.gz IBROCZADXUKIQG-UHFFFAOYSA-N 0 0 441.484 2.575 50 0 IFAARN CCC(=O)[C@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1 ZINC000011838354 556363416 /nfs/dbraw/zinc/36/34/16/556363416.db2.gz ICSGLXVXPHXCKL-IBGZPJMESA-N 0 0 430.545 2.924 50 0 IFAARN COc1ccc(F)c(C[C@@]2(CCC(=O)N(CCO)Cc3ccccc3)CCC(=O)N2)c1 ZINC000011839640 556364160 /nfs/dbraw/zinc/36/41/60/556364160.db2.gz BMRWHKRVTUBVMK-DEOSSOPVSA-N 0 0 428.504 2.827 50 0 IFAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc(Cl)s1 ZINC000014093117 556365726 /nfs/dbraw/zinc/36/57/26/556365726.db2.gz VTWVACVALMGKQQ-UHFFFAOYSA-N 0 0 432.976 2.959 50 0 IFAARN C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000014094545 556366507 /nfs/dbraw/zinc/36/65/07/556366507.db2.gz AIJQAVQLMYXYOL-INIZCTEOSA-N 0 0 428.492 2.782 50 0 IFAARN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 ZINC000014095009 556366934 /nfs/dbraw/zinc/36/69/34/556366934.db2.gz NSIJDFXFCREITM-KRWDZBQOSA-N 0 0 426.498 2.537 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000014095217 556367193 /nfs/dbraw/zinc/36/71/93/556367193.db2.gz MVISIWKABIPKIR-UHFFFAOYSA-N 0 0 441.937 2.613 50 0 IFAARN C[C@@H](NC(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1ccco1 ZINC000014109153 556368828 /nfs/dbraw/zinc/36/88/28/556368828.db2.gz HGBXRICAMFVROM-MRXNPFEDSA-N 0 0 427.530 2.726 50 0 IFAARN CCn1c(SCC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)nnc1-c1ccccn1 ZINC000014110953 556369793 /nfs/dbraw/zinc/36/97/93/556369793.db2.gz DRZFLHCAMXLHJP-UHFFFAOYSA-N 0 0 431.547 2.558 50 0 IFAARN O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000014125224 556373140 /nfs/dbraw/zinc/37/31/40/556373140.db2.gz QHLJZHVYZZSMAZ-UHFFFAOYSA-N 0 0 448.548 2.556 50 0 IFAARN O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000014124651 556373152 /nfs/dbraw/zinc/37/31/52/556373152.db2.gz BRKIFLAANZBCDL-OAHLLOKOSA-N 0 0 441.557 2.762 50 0 IFAARN COc1ccc(C[C@@]2(CCC(=O)N[C@H]3CCCCNC3=O)CCC(=O)N2)c2ccccc12 ZINC000011882422 556373617 /nfs/dbraw/zinc/37/36/17/556373617.db2.gz QECPEPWPAMNIJF-NBGIEHNGSA-N 0 0 437.540 2.605 50 0 IFAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 ZINC000014128941 556373848 /nfs/dbraw/zinc/37/38/48/556373848.db2.gz YXNYPCSBJRIYCT-SNVBAGLBSA-N 0 0 435.980 2.512 50 0 IFAARN COc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1S(=O)(=O)NC1CC1 ZINC000014129092 556374164 /nfs/dbraw/zinc/37/41/64/556374164.db2.gz MJLNTNROCIHCKO-UHFFFAOYSA-N 0 0 429.502 2.714 50 0 IFAARN NC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)C1 ZINC000014129094 556374225 /nfs/dbraw/zinc/37/42/25/556374225.db2.gz WSSJQJQCQNZLHL-CYBMUJFWSA-N 0 0 449.964 2.661 50 0 IFAARN O=C(COC(=O)CCC1=NC(=O)C2=C3CCCC3S[C@H]2N1)NCc1ccc(Cl)cc1 ZINC000014136195 556375100 /nfs/dbraw/zinc/37/51/00/556375100.db2.gz SIOMVONNCLDFPR-TZIWHRDSSA-N 0 0 447.944 2.935 50 0 IFAARN O=C(COC(=O)CCC1=NC(=O)C2=C3CCCC3S[C@H]2N1)NCc1ccc(Cl)cc1 ZINC000014136198 556375184 /nfs/dbraw/zinc/37/51/84/556375184.db2.gz SIOMVONNCLDFPR-PZJWPPBQSA-N 0 0 447.944 2.935 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)CCNS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1C ZINC000014136314 556375217 /nfs/dbraw/zinc/37/52/17/556375217.db2.gz QBWQERGTTJZLNC-UHFFFAOYSA-N 0 0 445.585 2.960 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Br)cc1 ZINC000014135709 556375222 /nfs/dbraw/zinc/37/52/22/556375222.db2.gz DGGLZCNIBDJJFP-UHFFFAOYSA-N 0 0 425.304 2.911 50 0 IFAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCCC[C@@H]2CCO)c1 ZINC000011933788 556377395 /nfs/dbraw/zinc/37/73/95/556377395.db2.gz UPBSWCRRGRPSKK-GOSISDBHSA-N 0 0 430.545 2.852 50 0 IFAARN C[C@@H]1C(=O)N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000014159496 556378131 /nfs/dbraw/zinc/37/81/31/556378131.db2.gz ZWMJNOPMJLRWAJ-CYBMUJFWSA-N 0 0 428.876 2.838 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)cc1 ZINC000014162297 556378568 /nfs/dbraw/zinc/37/85/68/556378568.db2.gz KWBNIGMAECMPOH-DEOSSOPVSA-N 0 0 430.464 2.605 50 0 IFAARN COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000014164868 556379354 /nfs/dbraw/zinc/37/93/54/556379354.db2.gz LPHQPIDJYDYAPC-UHFFFAOYSA-N 0 0 449.555 2.993 50 0 IFAARN O=C(CNC(=O)C(=O)NCc1ccco1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000014169756 556380895 /nfs/dbraw/zinc/38/08/95/556380895.db2.gz NTIIZQPOYXBMRH-FQEVSTJZSA-N 0 0 425.872 2.571 50 0 IFAARN Cc1ccsc1S(=O)(=O)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000011956996 556381153 /nfs/dbraw/zinc/38/11/53/556381153.db2.gz GHBCBWZZXFTSHS-QGZVFWFLSA-N 0 0 428.601 2.577 50 0 IFAARN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CCS3)N2CCOCC2)cc1 ZINC000014183865 556383761 /nfs/dbraw/zinc/38/37/61/556383761.db2.gz SNRDRZASXFXCOK-FQEVSTJZSA-N 0 0 441.553 2.933 50 0 IFAARN O=C(c1ccccc1Br)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000014185155 556385164 /nfs/dbraw/zinc/38/51/64/556385164.db2.gz IMZZHSWXIRHIGQ-UHFFFAOYSA-N 0 0 445.285 2.874 50 0 IFAARN COc1ccc(C)cc1-n1nnnc1S[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000014185224 556385407 /nfs/dbraw/zinc/38/54/07/556385407.db2.gz FKWPQWRPJZHMOX-IBGZPJMESA-N 0 0 425.514 2.672 50 0 IFAARN COc1cc(=O)n2c(c1C(=O)N(C)[C@@H](C)c1ccco1)CCN(C(=O)c1ccccc1)CC2 ZINC000012021045 556386623 /nfs/dbraw/zinc/38/66/23/556386623.db2.gz ZJZZSNDBJRYABB-KRWDZBQOSA-N 0 0 449.507 2.982 50 0 IFAARN COc1ccc(C(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c2ccc(OC)cc2)cc1 ZINC000014197306 556388735 /nfs/dbraw/zinc/38/87/35/556388735.db2.gz AQDVWZPNVMAVAN-XMMPIXPASA-N 0 0 437.496 2.630 50 0 IFAARN COc1cc(Br)c(CCNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1OC ZINC000014198468 556389755 /nfs/dbraw/zinc/38/97/55/556389755.db2.gz ASCGOMPZLJSTID-GOSISDBHSA-N 0 0 434.286 2.907 50 0 IFAARN CCCn1c2ccccc2n(CCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1=O ZINC000014198643 556390056 /nfs/dbraw/zinc/39/00/56/556390056.db2.gz DZYJXBWDEHNBBG-MRXNPFEDSA-N 0 0 429.542 2.884 50 0 IFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000032809398 556394084 /nfs/dbraw/zinc/39/40/84/556394084.db2.gz IKGQDVYUSWXRCM-FGZHOGPDSA-N 0 0 434.496 2.971 50 0 IFAARN O=C(CN1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1)Nc1cccc(F)c1 ZINC000032809718 556394553 /nfs/dbraw/zinc/39/45/53/556394553.db2.gz XFTNGCQOYIRFMM-UHFFFAOYSA-N 0 0 445.438 2.880 50 0 IFAARN COc1ccc(C[C@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000014226347 556394880 /nfs/dbraw/zinc/39/48/80/556394880.db2.gz OZSKTAUQQWVXKV-NRFANRHFSA-N 0 0 449.866 2.988 50 0 IFAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(O)c1)N([C@H]1CCS(=O)(=O)C1)C3=O ZINC000012062827 556395696 /nfs/dbraw/zinc/39/56/96/556395696.db2.gz UVLBSEUMLIHOGL-YWZLYKJASA-N 0 0 439.489 2.848 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000014228439 556395764 /nfs/dbraw/zinc/39/57/64/556395764.db2.gz NVQNCHCOKNPQHQ-IBGZPJMESA-N 0 0 449.598 2.608 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000014228436 556395772 /nfs/dbraw/zinc/39/57/72/556395772.db2.gz NVQNCHCOKNPQHQ-LJQANCHMSA-N 0 0 449.598 2.608 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000014233797 556398815 /nfs/dbraw/zinc/39/88/15/556398815.db2.gz PKSNHCBRZWQYJY-VQIMIIECSA-N 0 0 437.496 2.872 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000014233791 556398867 /nfs/dbraw/zinc/39/88/67/556398867.db2.gz PKSNHCBRZWQYJY-LPHOPBHVSA-N 0 0 437.496 2.872 50 0 IFAARN Cc1c(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)sc2nc3n(c(=O)c12)CCC3 ZINC000014234931 556399214 /nfs/dbraw/zinc/39/92/14/556399214.db2.gz ACWGHKVQDSYEFU-CQSZACIVSA-N 0 0 425.510 2.917 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(Br)c1 ZINC000032814449 556399947 /nfs/dbraw/zinc/39/99/47/556399947.db2.gz TXMMSTBOCWKRKB-UHFFFAOYSA-N 0 0 436.287 2.749 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000032814434 556400009 /nfs/dbraw/zinc/40/00/09/556400009.db2.gz VYZIHSZGNCRTHE-UHFFFAOYSA-N 0 0 436.287 2.749 50 0 IFAARN O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000014242402 556402893 /nfs/dbraw/zinc/40/28/93/556402893.db2.gz FLEAEFODVDXBAS-UHFFFAOYSA-N 0 0 441.465 2.695 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000014242840 556403499 /nfs/dbraw/zinc/40/34/99/556403499.db2.gz AHXAFGZPDGRFGY-PKOBYXMFSA-N 0 0 425.554 2.985 50 0 IFAARN O=C(Nc1ccnn1Cc1ccccc1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000014245167 556404979 /nfs/dbraw/zinc/40/49/79/556404979.db2.gz VOKNXOOPDXJBDS-SFHVURJKSA-N 0 0 449.536 2.731 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C2(CC(=O)N3CCOCC3)CCCC2)cc1 ZINC000014245634 556405504 /nfs/dbraw/zinc/40/55/04/556405504.db2.gz LDIOZBOCTWOVPJ-QGZVFWFLSA-N 0 0 430.501 2.569 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O ZINC000014246397 556406320 /nfs/dbraw/zinc/40/63/20/556406320.db2.gz OZFAUWUZEFGXNK-HXUWFJFHSA-N 0 0 443.525 2.848 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccc(OC)c3)CC2)cc1 ZINC000014247293 556407110 /nfs/dbraw/zinc/40/71/10/556407110.db2.gz BIJBYMZAYKETCB-GOSISDBHSA-N 0 0 445.585 2.981 50 0 IFAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(CC(=O)NC3CCCCCC3)CC2)c1 ZINC000032824011 556408796 /nfs/dbraw/zinc/40/87/96/556408796.db2.gz VOHGCSYVGQHLOU-UHFFFAOYSA-N 0 0 444.601 2.689 50 0 IFAARN COc1ccc(CC[C@@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000014254380 556410432 /nfs/dbraw/zinc/41/04/32/556410432.db2.gz UDGFTCCKHILLQE-QKFKETGDSA-N 0 0 439.468 2.694 50 0 IFAARN CC[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccccc1 ZINC000014255098 556410653 /nfs/dbraw/zinc/41/06/53/556410653.db2.gz OXWMTMXPMNSDSY-QGZVFWFLSA-N 0 0 432.542 2.640 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3nc4c(C)cccc4cc3C=O)CC2)cc1 ZINC000032826104 556411151 /nfs/dbraw/zinc/41/11/51/556411151.db2.gz LWMNMTDVVFRMOO-UHFFFAOYSA-N 0 0 425.510 2.875 50 0 IFAARN Cc1ccc(NC(=O)CSCCC(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000032819619 556412200 /nfs/dbraw/zinc/41/22/00/556412200.db2.gz PZYMRSMJOQGFDV-INIZCTEOSA-N 0 0 449.598 2.924 50 0 IFAARN COc1cc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)cc3F)C2=O)cc(OC)c1OC ZINC000032828826 556413309 /nfs/dbraw/zinc/41/33/09/556413309.db2.gz CNHJDUYTWHBSHP-QFIPXVFZSA-N 0 0 445.447 2.566 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(Cl)cc2N)c1 ZINC000014360722 556414393 /nfs/dbraw/zinc/41/43/93/556414393.db2.gz PZRRWOQJVINFOD-UHFFFAOYSA-N 0 0 439.921 2.748 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000014360410 556414410 /nfs/dbraw/zinc/41/44/10/556414410.db2.gz BOXQQDYGIFRQPK-UHFFFAOYSA-N 0 0 425.441 2.717 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000014370070 556414969 /nfs/dbraw/zinc/41/49/69/556414969.db2.gz SUGYHEHJJBMAGR-UHFFFAOYSA-N 0 0 441.347 2.997 50 0 IFAARN O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000032676089 556415925 /nfs/dbraw/zinc/41/59/25/556415925.db2.gz MLUSKKPHYPJWNG-LJQANCHMSA-N 0 0 439.943 2.716 50 0 IFAARN Cc1ccc2nc(COC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cn2c1 ZINC000032829678 556416518 /nfs/dbraw/zinc/41/65/18/556416518.db2.gz PMYUMDWCWNAJKS-IAGOWNOFSA-N 0 0 443.525 2.798 50 0 IFAARN COC(=O)c1cn(CC(=O)NCc2nnc3ccc(C(F)(F)F)cn32)c2ccccc12 ZINC000032835951 556417795 /nfs/dbraw/zinc/41/77/95/556417795.db2.gz FWSQFMCONINJRV-UHFFFAOYSA-N 0 0 431.374 2.806 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000022932685 556418601 /nfs/dbraw/zinc/41/86/01/556418601.db2.gz VOPDEDZYKIRZLZ-FUHWJXTLSA-N 0 0 440.510 2.956 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1 ZINC000012971537 556418861 /nfs/dbraw/zinc/41/88/61/556418861.db2.gz HODMURLLOGBSAI-MRXNPFEDSA-N 0 0 430.526 2.951 50 0 IFAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)Cn2ccc(=O)[nH]c2=O)cc1C ZINC000012972200 556419163 /nfs/dbraw/zinc/41/91/63/556419163.db2.gz JDYBSRBPCAVTTC-UHFFFAOYSA-N 0 0 443.507 2.665 50 0 IFAARN CCc1cc(C(=O)N(Cc2ccccc2)c2c(N)n(CCOC)c(=O)[nH]c2=O)sc1C ZINC000014506610 556419717 /nfs/dbraw/zinc/41/97/17/556419717.db2.gz FCJCGURUDKDCRH-UHFFFAOYSA-N 0 0 442.541 2.545 50 0 IFAARN COC(=O)c1c(NC(=O)c2ccco2)c2cc(NC3CCN(C(C)=O)CC3)cnc2n1C ZINC000014532686 556421172 /nfs/dbraw/zinc/42/11/72/556421172.db2.gz LTQPTCSXJUNVEA-UHFFFAOYSA-N 0 0 439.472 2.628 50 0 IFAARN COCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3nccs3)CC2)C1=O ZINC000014532560 556421194 /nfs/dbraw/zinc/42/11/94/556421194.db2.gz AAZCDKPAHXXIQT-UHFFFAOYSA-N 0 0 428.558 2.631 50 0 IFAARN CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)[C@H]2COc3ccccc3C2)CC1=O ZINC000014533100 556421550 /nfs/dbraw/zinc/42/15/50/556421550.db2.gz JDYLOOBSIMBIJG-FGZHOGPDSA-N 0 0 437.540 2.545 50 0 IFAARN CCc1ccc(CN(C)C(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000012975889 556421623 /nfs/dbraw/zinc/42/16/23/556421623.db2.gz KYZIJWDKAVEREU-UHFFFAOYSA-N 0 0 447.576 2.743 50 0 IFAARN COc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(OC(F)(F)F)c2)cc1OC ZINC000012977171 556422465 /nfs/dbraw/zinc/42/24/65/556422465.db2.gz DSBPNPZJZFTGEE-UHFFFAOYSA-N 0 0 448.419 2.910 50 0 IFAARN Cc1ccn(CCC(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3cccc(F)c3)C2)n1 ZINC000014534242 556422611 /nfs/dbraw/zinc/42/26/11/556422611.db2.gz GGRCFJUMPJJOFO-NRFANRHFSA-N 0 0 430.524 2.633 50 0 IFAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@@H](C)CC(C)(C)O)cnc2n1C[C@@H]1CCCO1 ZINC000014534483 556422636 /nfs/dbraw/zinc/42/26/36/556422636.db2.gz NOLFIUAUDLGUFS-BBRMVZONSA-N 0 0 432.521 2.922 50 0 IFAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@H](C)CC(C)(C)O)cnc2n1C[C@H]1CCCO1 ZINC000014534486 556422653 /nfs/dbraw/zinc/42/26/53/556422653.db2.gz NOLFIUAUDLGUFS-CZUORRHYSA-N 0 0 432.521 2.922 50 0 IFAARN O=C(c1cnccn1)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 ZINC000014535988 556423429 /nfs/dbraw/zinc/42/34/29/556423429.db2.gz GVTZWECCOOMUDC-QFIPXVFZSA-N 0 0 448.498 2.728 50 0 IFAARN O=C(NCCn1ccnc1)c1cc(NCC2CC2)cc(S(=O)(=O)Nc2ccccc2)c1 ZINC000014536507 556423758 /nfs/dbraw/zinc/42/37/58/556423758.db2.gz HNMWUFHBEUXDFQ-UHFFFAOYSA-N 0 0 439.541 2.936 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCn1c(=O)oc2ccccc21 ZINC000012985380 556426154 /nfs/dbraw/zinc/42/61/54/556426154.db2.gz YRGNRMCOFTZAAJ-UHFFFAOYSA-N 0 0 432.274 2.810 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)CN1CCC[C@H]1c1ccc3c(c1)OCCO3)CCC2 ZINC000012985681 556426518 /nfs/dbraw/zinc/42/65/18/556426518.db2.gz QDEOLZNDDOGUSV-HNNXBMFYSA-N 0 0 427.526 2.883 50 0 IFAARN O=C(CSc1nnc(Nc2cccc(F)c2)s1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000012986137 556426841 /nfs/dbraw/zinc/42/68/41/556426841.db2.gz UQSQSHWEPDKVKR-AWEZNQCLSA-N 0 0 442.563 2.691 50 0 IFAARN CCOC(=O)C1C(Cn2cnc3cc(Cl)ccc3c2=O)=NC(=O)N[C@@H]1c1ccccc1 ZINC000032841192 556427183 /nfs/dbraw/zinc/42/71/83/556427183.db2.gz WMQNSOJKZAWEHE-LJQANCHMSA-N 0 0 438.871 2.921 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CCn1c2ccccc2oc1=O ZINC000032842540 556427825 /nfs/dbraw/zinc/42/78/25/556427825.db2.gz BJCYYZONLZIWRS-UHFFFAOYSA-N 0 0 431.470 2.530 50 0 IFAARN NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000012990709 556428368 /nfs/dbraw/zinc/42/83/68/556428368.db2.gz FCTRZRSGRRMEOB-FQEVSTJZSA-N 0 0 438.915 2.770 50 0 IFAARN O=C(NCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)NCc1ccc(F)cc1 ZINC000012992915 556428877 /nfs/dbraw/zinc/42/88/77/556428877.db2.gz CIUUBGALTXGRNM-UHFFFAOYSA-N 0 0 436.890 2.762 50 0 IFAARN O=C(Nn1cnc2ccccc2c1=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000014604835 556429241 /nfs/dbraw/zinc/42/92/41/556429241.db2.gz OCEITTYTJSRMLX-UHFFFAOYSA-N 0 0 446.488 2.532 50 0 IFAARN COc1ccc([C@@H]2CCCCCN2C(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000012994442 556429996 /nfs/dbraw/zinc/42/99/96/556429996.db2.gz PDMIFVBTTIJDLR-IBGZPJMESA-N 0 0 427.526 2.878 50 0 IFAARN CN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012998372 556432168 /nfs/dbraw/zinc/43/21/68/556432168.db2.gz QUWCNDRPMIQCQO-UHFFFAOYSA-N 0 0 448.516 2.656 50 0 IFAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000032854826 556432876 /nfs/dbraw/zinc/43/28/76/556432876.db2.gz FSMNRFOXESDVSI-UHFFFAOYSA-N 0 0 447.513 2.720 50 0 IFAARN C[C@@H]1CCN(C(=O)COC(=O)c2cccnc2N2CCOCC2)c2ccccc2S1 ZINC000027806524 556433073 /nfs/dbraw/zinc/43/30/73/556433073.db2.gz HNRVLCWDLQAJRW-MRXNPFEDSA-N 0 0 427.526 2.993 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCC(=O)NCCSCc2ccccc2F)cc1 ZINC000013005633 556434855 /nfs/dbraw/zinc/43/48/55/556434855.db2.gz VJPTVLOESRGVAF-UHFFFAOYSA-N 0 0 440.562 2.942 50 0 IFAARN C[C@H](NC(=O)COC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1cccc2ccccc21 ZINC000027986709 556439010 /nfs/dbraw/zinc/43/90/10/556439010.db2.gz JLOWUUWAPYHJSA-INIZCTEOSA-N 0 0 437.496 2.815 50 0 IFAARN O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 ZINC000014743550 556439657 /nfs/dbraw/zinc/43/96/57/556439657.db2.gz KYYKBAURRCBMMR-QGTPRVQTSA-N 0 0 447.322 2.826 50 0 IFAARN CC(C)N1C[C@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)c2cn[nH]c2)CC1=O ZINC000014745351 556440642 /nfs/dbraw/zinc/44/06/42/556440642.db2.gz PGWNJYUTIIWGPZ-QGZVFWFLSA-N 0 0 440.422 2.587 50 0 IFAARN CN1C(=O)[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3)CCN2C(=O)[C@@H]1Cc1ccccc1 ZINC000014748776 556442303 /nfs/dbraw/zinc/44/23/03/556442303.db2.gz ZDHOIUPUGWJZQV-RBUKOAKNSA-N 0 0 446.334 2.730 50 0 IFAARN COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(C)sc2C)cc1 ZINC000028058550 556443206 /nfs/dbraw/zinc/44/32/06/556443206.db2.gz NRIIQRKVEHSXTO-MRXNPFEDSA-N 0 0 429.585 2.752 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1 ZINC000013037932 556443523 /nfs/dbraw/zinc/44/35/23/556443523.db2.gz WOBQDUCFQOOJIJ-GOSISDBHSA-N 0 0 440.569 2.916 50 0 IFAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCC2(CC1)OCCO2 ZINC000028090778 556443494 /nfs/dbraw/zinc/44/34/94/556443494.db2.gz IYGPIKMAQDXGIN-UHFFFAOYSA-N 0 0 442.965 2.884 50 0 IFAARN COc1ccc([C@H](CC(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)NC(C)=O)cc1 ZINC000028138440 556443957 /nfs/dbraw/zinc/44/39/57/556443957.db2.gz SMNIPFKTKNWWFC-SFHVURJKSA-N 0 0 429.860 2.667 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(N(C)C)c2)cc1 ZINC000011030656 556444220 /nfs/dbraw/zinc/44/42/20/556444220.db2.gz NYWSYKDTSFYFBW-HNNXBMFYSA-N 0 0 433.530 2.623 50 0 IFAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cncc(Br)c1 ZINC000011028033 556445230 /nfs/dbraw/zinc/44/52/30/556445230.db2.gz WRNXHKQZGLPJJF-UHFFFAOYSA-N 0 0 440.681 2.751 50 0 IFAARN CCOc1ccc(CCC2CCN(C(=O)Cn3nnn(-c4cccs4)c3=O)CC2)cc1 ZINC000032865080 556445428 /nfs/dbraw/zinc/44/54/28/556445428.db2.gz RCLUFTJMHXFAHH-UHFFFAOYSA-N 0 0 441.557 2.761 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000032860121 556446608 /nfs/dbraw/zinc/44/66/08/556446608.db2.gz UQOBMEGCQOJZEZ-UHFFFAOYSA-N 0 0 432.933 2.697 50 0 IFAARN C[C@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)C1=O ZINC000072273227 556446610 /nfs/dbraw/zinc/44/66/10/556446610.db2.gz YCQBONVKNRSCMH-RBUKOAKNSA-N 0 0 437.540 2.728 50 0 IFAARN COc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)ccc1OC(F)F ZINC000013041197 556447096 /nfs/dbraw/zinc/44/70/96/556447096.db2.gz ZRSHDOQSNRQCIP-OAQYLSRUSA-N 0 0 432.379 2.709 50 0 IFAARN COc1cc(CN(C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1OC(F)F ZINC000032862987 556447970 /nfs/dbraw/zinc/44/79/70/556447970.db2.gz UPWRTUCWIWGCAS-LBPRGKRZSA-N 0 0 443.472 2.847 50 0 IFAARN Cc1cc(=O)c(C(=O)NCc2ccc(Cn3cncn3)cc2)nn1-c1ccc(Cl)cc1 ZINC000032868967 556449729 /nfs/dbraw/zinc/44/97/29/556449729.db2.gz JKIXIXZUCLDDQD-UHFFFAOYSA-N 0 0 434.887 2.764 50 0 IFAARN COc1ccc(C)cc1CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000014850128 556450014 /nfs/dbraw/zinc/45/00/14/556450014.db2.gz CZHOJHOLNFRNCN-IRXDYDNUSA-N 0 0 432.542 2.983 50 0 IFAARN CCc1ccc([C@@H](C)NC(=O)Cn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1 ZINC000013062722 556451044 /nfs/dbraw/zinc/45/10/44/556451044.db2.gz LSTBNTQNWZZOEF-GOSISDBHSA-N 0 0 434.540 2.669 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(Cn3sc4ccccc4c3=O)CC2)c(C)c1 ZINC000013062791 556451059 /nfs/dbraw/zinc/45/10/59/556451059.db2.gz SNNOSZJHCBPLLY-UHFFFAOYSA-N 0 0 431.583 2.952 50 0 IFAARN NC(=O)NC(=O)[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000013062609 556451067 /nfs/dbraw/zinc/45/10/67/556451067.db2.gz GIRCPUDLKVAVAY-ZDUSSCGKSA-N 0 0 438.391 2.589 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)OCc3ccc(F)cc3)CC2=O)cc1 ZINC000032867740 556452154 /nfs/dbraw/zinc/45/21/54/556452154.db2.gz RHVSBRPCYJUSOZ-QGZVFWFLSA-N 0 0 448.516 2.953 50 0 IFAARN Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000013071456 556453381 /nfs/dbraw/zinc/45/33/81/556453381.db2.gz LPOYRAVVCWKIET-UHFFFAOYSA-N 0 0 442.459 2.926 50 0 IFAARN CCCN(C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013072125 556453862 /nfs/dbraw/zinc/45/38/62/556453862.db2.gz QNBUOLRNXIAQPO-LJQANCHMSA-N 0 0 433.501 2.861 50 0 IFAARN COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000014882747 556454474 /nfs/dbraw/zinc/45/44/74/556454474.db2.gz BQRQKMYVTNXGHL-CQSZACIVSA-N 0 0 425.455 2.569 50 0 IFAARN CC[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000028429073 556454631 /nfs/dbraw/zinc/45/46/31/556454631.db2.gz BMCAAMLCQWKRLN-CVEARBPZSA-N 0 0 430.526 2.898 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H]1C ZINC000013074358 556454980 /nfs/dbraw/zinc/45/49/80/556454980.db2.gz ULILOMLGLZPIPS-HLIPFELVSA-N 0 0 436.574 2.571 50 0 IFAARN COc1ccc(C[C@]2(CCC(=O)NC[C@H]3COc4ccccc4O3)CCC(=O)N2)c(F)c1 ZINC000014886549 556455502 /nfs/dbraw/zinc/45/55/02/556455502.db2.gz OUYGBIIGIROXTI-UUOWRZLLSA-N 0 0 442.487 2.762 50 0 IFAARN COc1ccc(C[C@@]2(CCC(=O)NC[C@@H](C)Oc3cccnc3)CCC(=O)N2)c(F)c1 ZINC000014887584 556455843 /nfs/dbraw/zinc/45/58/43/556455843.db2.gz AMGZZQKVDZXPOP-WAIKUNEKSA-N 0 0 429.492 2.785 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N[C@H]1CCOc2ccccc21 ZINC000028665821 556458473 /nfs/dbraw/zinc/45/84/73/556458473.db2.gz PETXRNWBCCPLHR-INIZCTEOSA-N 0 0 444.431 2.894 50 0 IFAARN O=C(CNC(=O)c1cccc(Br)c1)NCc1ccc(Cn2ccnc2)cc1 ZINC000028695277 556459109 /nfs/dbraw/zinc/45/91/09/556459109.db2.gz MFIBALJRFSUJIU-UHFFFAOYSA-N 0 0 427.302 2.740 50 0 IFAARN CC(C)C[C@@H](C(=O)N1CCC(c2nnc3ccccn32)CC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000028736127 556460221 /nfs/dbraw/zinc/46/02/21/556460221.db2.gz JIOWSVRWVNPHDT-ZCNNSNEGSA-N 0 0 449.555 2.801 50 0 IFAARN COc1ccc([C@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)N2CCOCC2)cc1 ZINC000013102733 556461312 /nfs/dbraw/zinc/46/13/12/556461312.db2.gz CZXTWSJAXQSLDH-PZJWPPBQSA-N 0 0 441.553 2.688 50 0 IFAARN Cc1ccc2nc(C)c(C(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)cc2c1 ZINC000028814015 556461809 /nfs/dbraw/zinc/46/18/09/556461809.db2.gz KHGWNQCCTSHKOA-UHFFFAOYSA-N 0 0 433.537 2.879 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3cc(C)nc4onc(C)c43)CC2)c(OC)c1OC ZINC000028841149 556462270 /nfs/dbraw/zinc/46/22/70/556462270.db2.gz STXNUTFIQBVMHD-UHFFFAOYSA-N 0 0 440.500 2.823 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc(C)c(CC(N)=O)s2)c1 ZINC000032871369 556462393 /nfs/dbraw/zinc/46/23/93/556462393.db2.gz HPKXUBBJYNTEAT-OAHLLOKOSA-N 0 0 435.571 2.952 50 0 IFAARN Cc1nc(SCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)sc1CC(N)=O ZINC000032871390 556462762 /nfs/dbraw/zinc/46/27/62/556462762.db2.gz MXNMOUQAYSBDKV-UHFFFAOYSA-N 0 0 447.582 2.928 50 0 IFAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000028875795 556462849 /nfs/dbraw/zinc/46/28/49/556462849.db2.gz YXKYSMUCCPYEGV-LFCNWEHWSA-N 0 0 425.573 2.509 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCNc1ncc(Cl)cc1Cl ZINC000072281687 556463153 /nfs/dbraw/zinc/46/31/53/556463153.db2.gz HDNBOBVTIKHMAV-YDHLFZDLSA-N 0 0 432.377 2.642 50 0 IFAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)Cc2cnc3ncnn3c2)C1 ZINC000014958733 556463459 /nfs/dbraw/zinc/46/34/59/556463459.db2.gz VNSPUNWCRROIOL-QFIPXVFZSA-N 0 0 441.919 2.735 50 0 IFAARN CCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1COc2ccccc2O1 ZINC000028914339 556463832 /nfs/dbraw/zinc/46/38/32/556463832.db2.gz HJCUSCRIRYMFCK-ZDUSSCGKSA-N 0 0 428.304 2.966 50 0 IFAARN CCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000013110182 556464232 /nfs/dbraw/zinc/46/42/32/556464232.db2.gz FNOLVUICGQSMHX-UHFFFAOYSA-N 0 0 441.903 2.581 50 0 IFAARN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1sccc1S(=O)(=O)NC1CC1 ZINC000028975641 556465265 /nfs/dbraw/zinc/46/52/65/556465265.db2.gz IQZDLWVQPFXSNJ-UHFFFAOYSA-N 0 0 447.582 2.745 50 0 IFAARN COc1ccc(C(=O)N2CCN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000029119136 556467722 /nfs/dbraw/zinc/46/77/22/556467722.db2.gz BKGJNGAULXBZHI-UHFFFAOYSA-N 0 0 431.533 2.627 50 0 IFAARN O=C(Cc1ccc2c(c1)CCCC2)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000029149443 556468620 /nfs/dbraw/zinc/46/86/20/556468620.db2.gz LVGDLGWTXNZELA-UHFFFAOYSA-N 0 0 434.583 2.507 50 0 IFAARN O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000029232409 556470648 /nfs/dbraw/zinc/47/06/48/556470648.db2.gz FOBFNGBAIHDYSH-SFTDATJTSA-N 0 0 438.528 2.530 50 0 IFAARN COCC1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)CC1 ZINC000014980762 556470630 /nfs/dbraw/zinc/47/06/30/556470630.db2.gz QGTDXIQAOMFWEJ-UHFFFAOYSA-N 0 0 430.545 2.974 50 0 IFAARN O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000029291792 556471566 /nfs/dbraw/zinc/47/15/66/556471566.db2.gz KTYLJVWDHGGOKG-UHFFFAOYSA-N 0 0 432.480 2.697 50 0 IFAARN C/C=C(\C)CN1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000014983557 556471698 /nfs/dbraw/zinc/47/16/98/556471698.db2.gz QYSHFGQRIAGUIM-GTWHDPJTSA-N 0 0 445.951 2.659 50 0 IFAARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000013120706 556472604 /nfs/dbraw/zinc/47/26/04/556472604.db2.gz HWXGFCHNSFKRNC-JOCHJYFZSA-N 0 0 443.459 2.605 50 0 IFAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000013120855 556473203 /nfs/dbraw/zinc/47/32/03/556473203.db2.gz SQQYRHOPRJKUSO-UHFFFAOYSA-N 0 0 434.525 3.000 50 0 IFAARN O=C(C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCC[C@H]1CO ZINC000014987402 556473219 /nfs/dbraw/zinc/47/32/19/556473219.db2.gz CWLIKOVXGWJKSI-UWJYYQICSA-N 0 0 438.446 2.628 50 0 IFAARN O=C(C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCC[C@H]1CO ZINC000014987408 556473421 /nfs/dbraw/zinc/47/34/21/556473421.db2.gz CWLIKOVXGWJKSI-LAUBAEHRSA-N 0 0 438.446 2.628 50 0 IFAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ccc(Br)cc1 ZINC000013121009 556473578 /nfs/dbraw/zinc/47/35/78/556473578.db2.gz FGBWENPRMMOAEH-UHFFFAOYSA-N 0 0 439.331 2.912 50 0 IFAARN CN(CCOc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000072284213 556474664 /nfs/dbraw/zinc/47/46/64/556474664.db2.gz GEELSGYQTRKDBE-IBGZPJMESA-N 0 0 425.485 2.992 50 0 IFAARN O=C(CCn1cnc2ccc(Cl)cc2c1=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000032871162 556474694 /nfs/dbraw/zinc/47/46/94/556474694.db2.gz UPFCAMOCGQQKBF-UHFFFAOYSA-N 0 0 428.832 2.560 50 0 IFAARN Cc1nc(-c2ccc(CCNC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)s2)cs1 ZINC000029439770 556475323 /nfs/dbraw/zinc/47/53/23/556475323.db2.gz NPDIBSMYYLSHME-SFHVURJKSA-N 0 0 439.566 2.959 50 0 IFAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC3CCCCCC3)N(Cc3ccccc3)C2)nn1 ZINC000014993827 556476510 /nfs/dbraw/zinc/47/65/10/556476510.db2.gz DHMOENBPLGSFFH-FPOVZHCZSA-N 0 0 425.533 2.719 50 0 IFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000014994433 556476951 /nfs/dbraw/zinc/47/69/51/556476951.db2.gz HOYIRDHSGPBIDN-IRLDBZIGSA-N 0 0 448.567 2.826 50 0 IFAARN COC(=O)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000014996303 556478042 /nfs/dbraw/zinc/47/80/42/556478042.db2.gz SUEZCSAYQPEORH-UHFFFAOYSA-N 0 0 431.496 2.988 50 0 IFAARN O=C(Cc1csc(-c2ccco2)n1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000029671430 556479857 /nfs/dbraw/zinc/47/98/57/556479857.db2.gz DMVYZTBTAIQXKQ-UHFFFAOYSA-N 0 0 425.466 2.659 50 0 IFAARN CCCN(S(=O)(=O)c1ccc(OCC)cc1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000013130857 556480067 /nfs/dbraw/zinc/48/00/67/556480067.db2.gz SFDNUICKQOYHQT-UHFFFAOYSA-N 0 0 443.543 2.892 50 0 IFAARN Cn1c(CCNC(=O)CC[C@@]2(Cc3ccc4c(c3)OCO4)CCC(=O)N2)nc2ccccc21 ZINC000015003920 556480956 /nfs/dbraw/zinc/48/09/56/556480956.db2.gz ZVRADGLCVHTJPU-VWLOTQADSA-N 0 0 448.523 2.632 50 0 IFAARN Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1 ZINC000013133456 556481027 /nfs/dbraw/zinc/48/10/27/556481027.db2.gz GIIXSQXRGIFYEE-FQEVSTJZSA-N 0 0 430.302 2.841 50 0 IFAARN Cc1ccccc1CN1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1 ZINC000029760371 556481887 /nfs/dbraw/zinc/48/18/87/556481887.db2.gz QJCMVXVWOKMZSX-UHFFFAOYSA-N 0 0 427.570 2.641 50 0 IFAARN CCOC(=O)CC1(NC(=O)Cn2cc(NC(=O)COc3ccccc3)cn2)CCCCC1 ZINC000015008520 556482576 /nfs/dbraw/zinc/48/25/76/556482576.db2.gz GNACKIOJMHNLBO-UHFFFAOYSA-N 0 0 442.516 2.673 50 0 IFAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cc(OC)ccc3OC)cc(C(C)C)nc21 ZINC000029793200 556482892 /nfs/dbraw/zinc/48/28/92/556482892.db2.gz YUZWNYLURJIQIC-UHFFFAOYSA-N 0 0 440.500 2.565 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)Cn1cnc2c3ccccc3oc2c1=O)c1cccc(F)c1 ZINC000029813761 556483518 /nfs/dbraw/zinc/48/35/18/556483518.db2.gz XNYHFBNZCPXPEJ-LJQANCHMSA-N 0 0 431.427 2.921 50 0 IFAARN Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000029871561 556484811 /nfs/dbraw/zinc/48/48/11/556484811.db2.gz QZSKXSNDACHUEM-HXUWFJFHSA-N 0 0 432.542 2.508 50 0 IFAARN O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000029869418 556484876 /nfs/dbraw/zinc/48/48/76/556484876.db2.gz VTZMWDXPHQUZBD-UHFFFAOYSA-N 0 0 431.452 2.581 50 0 IFAARN CCCCn1c2ccccc2nc(CCC(=O)OCC(=O)NC(=O)NCCC(C)C)c1=O ZINC000013140353 556485694 /nfs/dbraw/zinc/48/56/94/556485694.db2.gz CCTFMIFRAMZNMB-UHFFFAOYSA-N 0 0 444.532 2.544 50 0 IFAARN O=C(NCc1cccnc1-n1ccnc1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000029908627 556486244 /nfs/dbraw/zinc/48/62/44/556486244.db2.gz SWVRAQKCRFEKJZ-HNNXBMFYSA-N 0 0 440.301 2.699 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(Cl)ccc1OC ZINC000013141485 556486632 /nfs/dbraw/zinc/48/66/32/556486632.db2.gz DSPAMHQPZHBWRC-UHFFFAOYSA-N 0 0 440.905 2.630 50 0 IFAARN CN(C(=O)CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1C)c1ccccc1 ZINC000015019711 556487780 /nfs/dbraw/zinc/48/77/80/556487780.db2.gz RUAPTSNDSGQQSE-UHFFFAOYSA-N 0 0 445.570 2.536 50 0 IFAARN Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000015019743 556487786 /nfs/dbraw/zinc/48/77/86/556487786.db2.gz UXSWWEOIQSPRPX-UHFFFAOYSA-N 0 0 449.533 2.651 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(CSc1nncn1CCc1cccs1)[nH]c2=O ZINC000029988452 556488223 /nfs/dbraw/zinc/48/82/23/556488223.db2.gz PZZCHUJNGWIGLE-UHFFFAOYSA-N 0 0 427.511 2.898 50 0 IFAARN O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000029986744 556488281 /nfs/dbraw/zinc/48/82/81/556488281.db2.gz HVADPNDIHLYRQQ-SFHVURJKSA-N 0 0 430.505 2.604 50 0 IFAARN Cc1ccc(Cl)c(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1Cl ZINC000013146287 556488328 /nfs/dbraw/zinc/48/83/28/556488328.db2.gz QZUZMKDCPQFRDE-VXGBXAGGSA-N 0 0 427.284 2.959 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)cc1C ZINC000013148050 556489342 /nfs/dbraw/zinc/48/93/42/556489342.db2.gz BHRQKSVZMQTMLF-RUZDIDTESA-N 0 0 447.491 2.927 50 0 IFAARN O=C([C@H]1CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)c2ccccc2O1)N1CCOCC1 ZINC000015048426 556490160 /nfs/dbraw/zinc/49/01/60/556490160.db2.gz PKDSBAVDZOJMSQ-XMMPIXPASA-N 0 0 446.503 2.908 50 0 IFAARN CCc1cccc(CC)c1NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000015048912 556490224 /nfs/dbraw/zinc/49/02/24/556490224.db2.gz LJVONDQMFVGURI-JOCHJYFZSA-N 0 0 437.540 2.876 50 0 IFAARN CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H](C(=O)OCC)C(=O)C[C@]1(C)O ZINC000013154658 556493335 /nfs/dbraw/zinc/49/33/35/556493335.db2.gz NTNFVQUAJMSDFP-JEWRLFTDSA-N 0 0 427.291 2.615 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000032699447 556493338 /nfs/dbraw/zinc/49/33/38/556493338.db2.gz XKORJOUUKLXBFC-UHFFFAOYSA-N 0 0 432.523 2.503 50 0 IFAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000030496033 556495143 /nfs/dbraw/zinc/49/51/43/556495143.db2.gz BXBZPSNEFSPOFD-UHFFFAOYSA-N 0 0 433.961 2.973 50 0 IFAARN C[C@H]1c2cccn2CCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000013164193 556496079 /nfs/dbraw/zinc/49/60/79/556496079.db2.gz OUSCECIGUOYYLK-HNNXBMFYSA-N 0 0 436.965 2.941 50 0 IFAARN FC(F)(F)c1nc2ccccc2c(N2CCN(c3nnnn3-c3ccccc3)CC2)n1 ZINC000030520575 556496605 /nfs/dbraw/zinc/49/66/05/556496605.db2.gz AHAYCCGCKWWZET-UHFFFAOYSA-N 0 0 426.406 2.951 50 0 IFAARN Cc1cc(I)ccc1NC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1 ZINC000030587823 556498965 /nfs/dbraw/zinc/49/89/65/556498965.db2.gz IFPZWZDXOBBYIW-UHFFFAOYSA-N 0 0 441.254 2.702 50 0 IFAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000030693252 556502326 /nfs/dbraw/zinc/50/23/26/556502326.db2.gz YIYMZRRFRQQVLJ-QGZVFWFLSA-N 0 0 431.533 2.892 50 0 IFAARN COc1cccc(-c2nc(C(=O)N3CCN(c4ncccn4)CC3)nn2-c2ccccc2)c1 ZINC000015108437 556504541 /nfs/dbraw/zinc/50/45/41/556504541.db2.gz XBPWQVGICFGKPU-UHFFFAOYSA-N 0 0 441.495 2.695 50 0 IFAARN O=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000015203102 556510790 /nfs/dbraw/zinc/51/07/90/556510790.db2.gz FMEBXZUJKWEGEN-CQSZACIVSA-N 0 0 442.497 2.502 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000032889183 556511674 /nfs/dbraw/zinc/51/16/74/556511674.db2.gz XNCTWAUSUWSCOR-VBKZILBWSA-N 0 0 434.514 2.604 50 0 IFAARN O=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000030914753 556514954 /nfs/dbraw/zinc/51/49/54/556514954.db2.gz ZTSBJWHEJOBVBJ-UHFFFAOYSA-N 0 0 448.488 2.974 50 0 IFAARN NS(=O)(=O)c1cccc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000032895737 556515436 /nfs/dbraw/zinc/51/54/36/556515436.db2.gz CWHINRKWBYJQQK-IBGZPJMESA-N 0 0 434.564 2.732 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCn1cnc2ccccc2c1=O ZINC000013554383 556515472 /nfs/dbraw/zinc/51/54/72/556515472.db2.gz UBLMARNDEIRDEZ-UHFFFAOYSA-N 0 0 425.441 2.619 50 0 IFAARN CSCC[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCC1 ZINC000013557525 556517561 /nfs/dbraw/zinc/51/75/61/556517561.db2.gz VSBNTDZVMZAYNZ-SPEDKVCISA-N 0 0 447.626 2.943 50 0 IFAARN Cc1ccc(C(=O)CCC(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000032718939 556518300 /nfs/dbraw/zinc/51/83/00/556518300.db2.gz QOWBIYFQVQFFRR-UHFFFAOYSA-N 0 0 437.539 2.784 50 0 IFAARN Cc1cccc(CSCCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 ZINC000013565826 556518593 /nfs/dbraw/zinc/51/85/93/556518593.db2.gz FEONMEQJTJQSQX-UHFFFAOYSA-N 0 0 436.555 2.539 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000013567052 556520684 /nfs/dbraw/zinc/52/06/84/556520684.db2.gz YNPQHPNNUSWJEK-IBGZPJMESA-N 0 0 444.553 2.811 50 0 IFAARN CCNC(=O)C[C@H]1C(=O)N(Cc2cccs2)C(=S)N1CCc1ccc(OC)cc1 ZINC000015321375 556520785 /nfs/dbraw/zinc/52/07/85/556520785.db2.gz UIMWVPJXJTUJOK-SFHVURJKSA-N 0 0 431.583 2.823 50 0 IFAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000032893767 556521585 /nfs/dbraw/zinc/52/15/85/556521585.db2.gz NIKBXJNCNDOUOG-IBGZPJMESA-N 0 0 433.455 2.733 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)[C@H](c3cccc(F)c3)N3CCOCC3)CC2)cc1 ZINC000072296545 556522180 /nfs/dbraw/zinc/52/21/80/556522180.db2.gz AOSXOJWIWSQIGR-QHCPKHFHSA-N 0 0 425.504 2.750 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O ZINC000015351173 556522480 /nfs/dbraw/zinc/52/24/80/556522480.db2.gz WJRMAKJXFOUZHU-HNNXBMFYSA-N 0 0 440.500 2.863 50 0 IFAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000015359984 556522970 /nfs/dbraw/zinc/52/29/70/556522970.db2.gz JZRDKLZVIJMHAA-MRXNPFEDSA-N 0 0 439.486 2.914 50 0 IFAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=S)N1CCN(C(=O)OCC)CC1 ZINC000013573722 556524111 /nfs/dbraw/zinc/52/41/11/556524111.db2.gz QBGCNDQPAVSZOQ-UHFFFAOYSA-N 0 0 434.518 2.824 50 0 IFAARN COC(=O)c1c(C)c2ccccc2nc1CN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000015406902 556524854 /nfs/dbraw/zinc/52/48/54/556524854.db2.gz QAVXZJKBDUWMNR-UHFFFAOYSA-N 0 0 445.566 2.898 50 0 IFAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000004423776 556526248 /nfs/dbraw/zinc/52/62/48/556526248.db2.gz PVOKFBKEUAOBAN-KHWLQVBSSA-N 0 0 440.297 2.875 50 0 IFAARN COc1cc(OC)c(NC(=O)[C@H]2CCCN(c3ccc4nnc(C)n4n3)C2)cc1Cl ZINC000032101345 556529405 /nfs/dbraw/zinc/52/94/05/556529405.db2.gz BBDMETHWTFAFEZ-ZDUSSCGKSA-N 0 0 430.896 2.958 50 0 IFAARN COC(=O)Cn1c2c3c(sc2c(=O)n(-c2ccc(Cl)cc2)c1=O)CC(C)(C)OC3 ZINC000013592606 556530609 /nfs/dbraw/zinc/53/06/09/556530609.db2.gz QGVCWWPAXJQZJW-UHFFFAOYSA-N 0 0 434.901 2.892 50 0 IFAARN CN1c2ccc(Br)cc2[C@@H](Cc2nc3ccccc3c(=O)n2CCCO)C1=O ZINC000013593069 556530919 /nfs/dbraw/zinc/53/09/19/556530919.db2.gz RAQUQCBWUSCYJQ-MRXNPFEDSA-N 0 0 442.313 2.844 50 0 IFAARN O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCC[C@H](C(F)(F)F)C1 ZINC000032721290 556531643 /nfs/dbraw/zinc/53/16/43/556531643.db2.gz CJHWLTSEXMFDQN-LBPRGKRZSA-N 0 0 440.871 2.775 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000015505566 556531738 /nfs/dbraw/zinc/53/17/38/556531738.db2.gz YQGWDOQFYZILJD-UHFFFAOYSA-N 0 0 435.571 2.624 50 0 IFAARN NS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000032721401 556532376 /nfs/dbraw/zinc/53/23/76/556532376.db2.gz YEKYODZEDZNIHV-IBGZPJMESA-N 0 0 430.526 2.792 50 0 IFAARN CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1OCC ZINC000015517116 556532619 /nfs/dbraw/zinc/53/26/19/556532619.db2.gz WXHUQLKDKDTWEB-UHFFFAOYSA-N 0 0 437.470 2.858 50 0 IFAARN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccsc3)cc2)C1 ZINC000015520276 556532912 /nfs/dbraw/zinc/53/29/12/556532912.db2.gz RHYNHFPLNYMDFH-INIZCTEOSA-N 0 0 436.555 2.893 50 0 IFAARN Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000015521771 556533137 /nfs/dbraw/zinc/53/31/37/556533137.db2.gz UZOOITTXBNBUIO-NRFANRHFSA-N 0 0 430.574 2.975 50 0 IFAARN COC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccc(Cl)cc2)c1=O)COC(C)(C)C3 ZINC000013609293 556534131 /nfs/dbraw/zinc/53/41/31/556534131.db2.gz HVYLFJQQRXYEFX-UHFFFAOYSA-N 0 0 448.928 2.951 50 0 IFAARN CS(=O)(=O)CC[C@@H](C(=O)Nc1cccc2c1CCCC2)N1C(=O)c2ccccc2C1=O ZINC000015582638 556535866 /nfs/dbraw/zinc/53/58/66/556535866.db2.gz USYJUKQPYUWSPT-FQEVSTJZSA-N 0 0 440.521 2.603 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000013619197 556536150 /nfs/dbraw/zinc/53/61/50/556536150.db2.gz VTUFWDOPVSSWRE-FQEVSTJZSA-N 0 0 446.525 2.518 50 0 IFAARN O=C(NCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000013625008 556536672 /nfs/dbraw/zinc/53/66/72/556536672.db2.gz JILUMUKGSFOFQH-LJQANCHMSA-N 0 0 441.553 2.531 50 0 IFAARN COc1cc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc(OC)c1 ZINC000032901734 556537407 /nfs/dbraw/zinc/53/74/07/556537407.db2.gz BPJJKDCESJCDLT-CABCVRRESA-N 0 0 430.457 2.719 50 0 IFAARN COc1ccc(OC)c(NC(=O)C[C@@]2(NC(C)=O)c3ccccc3N(C(C)C)C2=O)c1 ZINC000013629477 556538521 /nfs/dbraw/zinc/53/85/21/556538521.db2.gz ZANDFECUXZIWHO-HSZRJFAPSA-N 0 0 425.485 2.819 50 0 IFAARN CCn1c(SCC(=O)N2CCOCC2)nnc1[C@@H](NC(=O)c1ccccc1F)C(C)C ZINC000032579298 556541221 /nfs/dbraw/zinc/54/12/21/556541221.db2.gz IANQMUQCDPLCPC-SFHVURJKSA-N 0 0 449.552 2.515 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000013639088 556541979 /nfs/dbraw/zinc/54/19/79/556541979.db2.gz CUIYHEOYGPFANR-OAHLLOKOSA-N 0 0 437.481 2.864 50 0 IFAARN Cc1noc(C)c1Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)o1 ZINC000013640977 556542097 /nfs/dbraw/zinc/54/20/97/556542097.db2.gz LJFUXMWYJUPZCL-UHFFFAOYSA-N 0 0 443.525 2.930 50 0 IFAARN CC1CCN(C(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)CC1 ZINC000004435021 556545586 /nfs/dbraw/zinc/54/55/86/556545586.db2.gz LAFOPMHWWXTMBE-UHFFFAOYSA-N 0 0 438.937 2.769 50 0 IFAARN CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)NC(=O)NC3CCCCC3)n2N)cc1 ZINC000032724312 556548387 /nfs/dbraw/zinc/54/83/87/556548387.db2.gz WXVQYNJOOQSKKF-ZDUSSCGKSA-N 0 0 432.550 2.697 50 0 IFAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)NC(=O)NC3CCCCC3)n2N)cc1 ZINC000032724315 556548422 /nfs/dbraw/zinc/54/84/22/556548422.db2.gz WXVQYNJOOQSKKF-CYBMUJFWSA-N 0 0 432.550 2.697 50 0 IFAARN Cc1oc(C2CCN([C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)nc1-c1ccccc1 ZINC000072304920 556548500 /nfs/dbraw/zinc/54/85/00/556548500.db2.gz BJHWLLRTXKBNFS-JXFKEZNVSA-N 0 0 445.585 2.863 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4nnco4)cc3)CC2)c(C)c1 ZINC000032727656 556548673 /nfs/dbraw/zinc/54/86/73/556548673.db2.gz PNVXHNCSDRYKLF-UHFFFAOYSA-N 0 0 426.498 2.500 50 0 IFAARN C[C@@H](CC(=O)N1CCN(c2ccccc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000033252796 556556980 /nfs/dbraw/zinc/55/69/80/556556980.db2.gz JSPCJTUFXCSQSZ-QGZVFWFLSA-N 0 0 426.542 2.964 50 0 IFAARN CCOC(=O)C[C@H](c1cc(Br)ccc1OC)c1oc(CO)cc(=O)c1O ZINC000071279379 556557395 /nfs/dbraw/zinc/55/73/95/556557395.db2.gz IMJQOZKIGAAFTA-CYBMUJFWSA-N 0 0 427.247 2.694 50 0 IFAARN O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000015859896 556558549 /nfs/dbraw/zinc/55/85/49/556558549.db2.gz QDADSJGLZDZOHA-OAHLLOKOSA-N 0 0 447.285 2.952 50 0 IFAARN Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2O)c1 ZINC000072307279 556562173 /nfs/dbraw/zinc/56/21/73/556562173.db2.gz MWPRXEFEMGRAHS-UHFFFAOYSA-N 0 0 433.511 2.590 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)cc1OC ZINC000015934897 556565639 /nfs/dbraw/zinc/56/56/39/556565639.db2.gz UZOHNHKUCYISLW-KBPBESRZSA-N 0 0 427.482 2.717 50 0 IFAARN COC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)Nc2nnc(C(F)(F)F)n2[C@@]1(C)O ZINC000015953183 556569398 /nfs/dbraw/zinc/56/93/98/556569398.db2.gz NIVZTNPERHLOPR-BHDSKKPTSA-N 0 0 435.200 2.680 50 0 IFAARN CSc1ccc(CN(C)C(=O)Nc2cnn(CC(=O)N3CCOC(C)(C)C3)c2)cc1 ZINC000072309755 556573041 /nfs/dbraw/zinc/57/30/41/556573041.db2.gz PUUMDERLKZTILH-UHFFFAOYSA-N 0 0 431.562 2.906 50 0 IFAARN Cn1c(NCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C ZINC000001127352 556573799 /nfs/dbraw/zinc/57/37/99/556573799.db2.gz LBIPPCFEDCHBOY-UHFFFAOYSA-N 0 0 434.283 2.994 50 0 IFAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000016045455 556579284 /nfs/dbraw/zinc/57/92/84/556579284.db2.gz WPKCVGAPPJTCNU-UHFFFAOYSA-N 0 0 443.931 2.923 50 0 IFAARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O ZINC000016046181 556580208 /nfs/dbraw/zinc/58/02/08/556580208.db2.gz KOKYVNGXJJADPI-QHCPKHFHSA-N 0 0 441.459 2.808 50 0 IFAARN COc1ccc(CN(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)C2CC2)cc1 ZINC000016046990 556580656 /nfs/dbraw/zinc/58/06/56/556580656.db2.gz SXCQQDMORURPFM-JOCHJYFZSA-N 0 0 446.507 2.831 50 0 IFAARN COC(=O)c1ccc(COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)o1 ZINC000016050664 556581016 /nfs/dbraw/zinc/58/10/16/556581016.db2.gz NSJSYWMKMSLMQP-UHFFFAOYSA-N 0 0 429.450 2.902 50 0 IFAARN CN(c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032911175 556582142 /nfs/dbraw/zinc/58/21/42/556582142.db2.gz RNSLGMIMAOMROE-GOSISDBHSA-N 0 0 438.933 2.839 50 0 IFAARN Cc1ccc([C@@H](C)NC(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1C ZINC000034797416 556582603 /nfs/dbraw/zinc/58/26/03/556582603.db2.gz ZXZXWRFHNPOLIX-XQBPLPMBSA-N 0 0 428.621 2.603 50 0 IFAARN O=C(NCCCCCCNC(=O)NC[C@@H](O)c1ccccc1)NC[C@H](O)c1ccccc1 ZINC000016102331 556583001 /nfs/dbraw/zinc/58/30/01/556583001.db2.gz OIYRMNRLJKXYSD-SZPZYZBQSA-N 0 0 442.560 2.612 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CS(=O)(=O)C[C@H]1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000238899986 556583687 /nfs/dbraw/zinc/58/36/87/556583687.db2.gz HNRQDGHEHSFNCZ-MUJBESKKSA-N 0 0 426.623 2.817 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000034854121 556583794 /nfs/dbraw/zinc/58/37/94/556583794.db2.gz MNUBQOOLSPNZGB-HKRNCWMRSA-N 0 0 439.581 2.799 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCCC1=CCCCC1 ZINC000034886210 556585572 /nfs/dbraw/zinc/58/55/72/556585572.db2.gz JOGIKIAECHGSFI-UHFFFAOYSA-N 0 0 432.011 2.715 50 0 IFAARN COc1ccc(C)cc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022939402 556587289 /nfs/dbraw/zinc/58/72/89/556587289.db2.gz LJMHIHUELWBFQE-UHFFFAOYSA-N 0 0 430.936 2.852 50 0 IFAARN Cc1nn(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000011103363 556587388 /nfs/dbraw/zinc/58/73/88/556587388.db2.gz CKPWFFITMGECEM-HNAYVOBHSA-N 0 0 430.574 2.946 50 0 IFAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000032966752 556587679 /nfs/dbraw/zinc/58/76/79/556587679.db2.gz FQKOVRNRIJDYHN-SFHVURJKSA-N 0 0 430.526 2.773 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCCC[C@H]3C)c2)CC1 ZINC000032969005 556588008 /nfs/dbraw/zinc/58/80/08/556588008.db2.gz VFTPXGHEOWSUJS-DNVCBOLYSA-N 0 0 427.998 2.975 50 0 IFAARN Cc1cc(C(=O)NCC(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c(C)o1 ZINC000072311707 556588185 /nfs/dbraw/zinc/58/81/85/556588185.db2.gz FUWDICNMEIVREB-HNNXBMFYSA-N 0 0 428.407 2.543 50 0 IFAARN O=S(=O)(c1cc(NC(=S)NCCc2ccccc2)ccc1Cl)N1CCOCC1 ZINC000016217829 556592165 /nfs/dbraw/zinc/59/21/65/556592165.db2.gz VGFPZUDJZHKOLS-UHFFFAOYSA-N 0 0 439.990 2.890 50 0 IFAARN COc1cccc(/C=C2\SC(=N)NC2=O)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000016225345 556592411 /nfs/dbraw/zinc/59/24/11/556592411.db2.gz YTMVQGSFXRDUTD-YBEGLDIGSA-N 0 0 447.494 2.560 50 0 IFAARN O=C(CN(C(=O)C1CC1)C1CC1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000036074298 556592596 /nfs/dbraw/zinc/59/25/96/556592596.db2.gz UDLNWUDYJWEZIM-UHFFFAOYSA-N 0 0 439.947 2.847 50 0 IFAARN Cc1ccc2nc(Nc3nc(-c4cnc(N5CCOCC5)nc4C)cc(=O)[nH]3)nc(C)c2c1 ZINC000036235547 556595002 /nfs/dbraw/zinc/59/50/02/556595002.db2.gz NEBNMZPFMAXPMF-UHFFFAOYSA-N 0 0 444.499 2.676 50 0 IFAARN O=C(CNS(=O)(=O)c1ccccc1)OCc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000016293756 556598578 /nfs/dbraw/zinc/59/85/78/556598578.db2.gz DYFXHZGWASPTDM-UHFFFAOYSA-N 0 0 445.518 2.541 50 0 IFAARN O=c1c2c3c(sc2nc(SCCN2CCOCC2)n1Cc1cccnc1)CCC3 ZINC000036646056 556599636 /nfs/dbraw/zinc/59/96/36/556599636.db2.gz MQYWZPMHQMGAKM-UHFFFAOYSA-N 0 0 428.583 2.814 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000016340066 556601085 /nfs/dbraw/zinc/60/10/85/556601085.db2.gz XPBBZVMOWBSPOI-ZDUSSCGKSA-N 0 0 445.894 2.839 50 0 IFAARN CCCCn1c2nc(CCC(=O)Nc3nc(C)c(C)s3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000032983755 556602343 /nfs/dbraw/zinc/60/23/43/556602343.db2.gz OQTZWXHERPHATB-UHFFFAOYSA-N 0 0 446.577 2.987 50 0 IFAARN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)c(OCC(N)=O)c(OCC)c2)NC(=O)N1 ZINC000016382574 556604107 /nfs/dbraw/zinc/60/41/07/556604107.db2.gz WRCPSIGVTGPDLG-QGZVFWFLSA-N 0 0 439.896 2.574 50 0 IFAARN COc1ccccc1CNC(=O)COCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000032987599 556608034 /nfs/dbraw/zinc/60/80/34/556608034.db2.gz CKVWZEFHZUMGDB-UHFFFAOYSA-N 0 0 430.461 2.771 50 0 IFAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 ZINC000016474271 556609929 /nfs/dbraw/zinc/60/99/29/556609929.db2.gz XCHDNYGSGNOEAO-UHFFFAOYSA-N 0 0 441.431 2.661 50 0 IFAARN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000032915291 556611806 /nfs/dbraw/zinc/61/18/06/556611806.db2.gz XXEIBBNJIFXSJD-INIZCTEOSA-N 0 0 447.601 2.546 50 0 IFAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000038522471 556613069 /nfs/dbraw/zinc/61/30/69/556613069.db2.gz IMHLPWQKTDIKJV-UHFFFAOYSA-N 0 0 429.524 2.943 50 0 IFAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000038530832 556613520 /nfs/dbraw/zinc/61/35/20/556613520.db2.gz HYZPNNYHQLSAFT-UHFFFAOYSA-N 0 0 441.479 2.607 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000016521513 556613795 /nfs/dbraw/zinc/61/37/95/556613795.db2.gz KKHGQYZLBSUVLR-UHFFFAOYSA-N 0 0 439.537 2.793 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)cc1 ZINC000016521355 556613821 /nfs/dbraw/zinc/61/38/21/556613821.db2.gz UEBBYKDSXRUHCD-UHFFFAOYSA-N 0 0 438.933 2.722 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)C3CCN(C(=O)c4ccco4)CC3)ccc21 ZINC000016548367 556614980 /nfs/dbraw/zinc/61/49/80/556614980.db2.gz NBWFBZBILJPDJG-OAHLLOKOSA-N 0 0 438.480 2.855 50 0 IFAARN COc1cc2c(cc1NC(=O)CN1CCC[C@H](CNS(C)(=O)=O)C1)oc1ccccc12 ZINC000032916335 556615068 /nfs/dbraw/zinc/61/50/68/556615068.db2.gz GIJFFRNZHZCYSQ-OAHLLOKOSA-N 0 0 445.541 2.794 50 0 IFAARN CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000016628169 556618968 /nfs/dbraw/zinc/61/89/68/556618968.db2.gz ZIKGILOTWXCUQG-CYBMUJFWSA-N 0 0 429.498 2.742 50 0 IFAARN O=C(C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000016647484 556619973 /nfs/dbraw/zinc/61/99/73/556619973.db2.gz SLLJVECTWOKTNM-UHFFFAOYSA-N 0 0 441.553 2.646 50 0 IFAARN CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1)S(C)(=O)=O ZINC000016651540 556620674 /nfs/dbraw/zinc/62/06/74/556620674.db2.gz TXECDNZZNHZAIA-GOSISDBHSA-N 0 0 445.541 2.634 50 0 IFAARN COc1cc(-c2noc(CN3C(=O)NC(C4CC4)(C4CC4)C3=O)n2)ccc1OC(F)F ZINC000110090760 556622683 /nfs/dbraw/zinc/62/26/83/556622683.db2.gz MZROQSLWHBRPDH-UHFFFAOYSA-N 0 0 434.399 2.957 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCc2ccc(C(F)(F)F)cc2)c1 ZINC000016680051 556623469 /nfs/dbraw/zinc/62/34/69/556623469.db2.gz HGWQXFXTJRHNQQ-UHFFFAOYSA-N 0 0 446.447 2.717 50 0 IFAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)O[C@H]1CCS(=O)(=O)C1 ZINC000016680154 556623490 /nfs/dbraw/zinc/62/34/90/556623490.db2.gz JHXRNZSBWWQLIB-AWEZNQCLSA-N 0 0 435.552 2.818 50 0 IFAARN Cc1nc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)n[nH]1 ZINC000011706297 556627187 /nfs/dbraw/zinc/62/71/87/556627187.db2.gz HCORXMZCLSIIRS-UHFFFAOYSA-N 0 0 429.955 2.672 50 0 IFAARN COc1ccc([C@@H](C)NCc2nc3ccccc3c(=O)n2CC(N)=O)cc1Br ZINC000016694948 556628213 /nfs/dbraw/zinc/62/82/13/556628213.db2.gz ODBPIYFHLGHUEL-GFCCVEGCSA-N 0 0 445.317 2.504 50 0 IFAARN COC(=O)CN(C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)Cc1ccccc1 ZINC000039455295 556629107 /nfs/dbraw/zinc/62/91/07/556629107.db2.gz YNHCVEHONUXTIR-UHFFFAOYSA-N 0 0 441.509 2.869 50 0 IFAARN COC(=O)C[C@H]1C(=O)NCCN1Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000039466218 556629131 /nfs/dbraw/zinc/62/91/31/556629131.db2.gz BGLWPYJBAPURIH-NRFANRHFSA-N 0 0 436.487 2.850 50 0 IFAARN COC(=O)CN(C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccccc1 ZINC000039461339 556629242 /nfs/dbraw/zinc/62/92/42/556629242.db2.gz DKZJIUVJWCASME-UHFFFAOYSA-N 0 0 427.482 2.940 50 0 IFAARN CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OC)=C(C)N=2 ZINC000016699921 556629520 /nfs/dbraw/zinc/62/95/20/556629520.db2.gz JVLBSOGCQNTBQF-XYSGSMRZSA-N 0 0 440.546 2.868 50 0 IFAARN COc1cc(CN(C(=O)c2cccc(C)c2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000016751914 556637500 /nfs/dbraw/zinc/63/75/00/556637500.db2.gz XBQVCCLCBKMZRS-SFHVURJKSA-N 0 0 433.526 2.850 50 0 IFAARN Cc1ccccc1OCC(=O)c1ccc2c(c1)N(CC(=O)NCc1ccco1)C(=O)CO2 ZINC000037512012 556638625 /nfs/dbraw/zinc/63/86/25/556638625.db2.gz FZPSJTYFWUJYSA-UHFFFAOYSA-N 0 0 434.448 2.892 50 0 IFAARN O=C(CC1(Cn2cnnn2)CCCCC1)Nc1cccc(N2CCCCS2(=O)=O)c1 ZINC000409413533 556640776 /nfs/dbraw/zinc/64/07/76/556640776.db2.gz IPWJWOWOMZHWRB-UHFFFAOYSA-N 0 0 432.550 2.582 50 0 IFAARN Cn1c2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)cc2nc1C(F)(F)F ZINC000409413978 556641382 /nfs/dbraw/zinc/64/13/82/556641382.db2.gz MHUAFCJFLUDWII-AWEZNQCLSA-N 0 0 431.374 2.671 50 0 IFAARN C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719796 556644686 /nfs/dbraw/zinc/64/46/86/556644686.db2.gz IZEARZACYLPZOP-LBPRGKRZSA-N 0 0 429.514 2.796 50 0 IFAARN CCn1c2c(cccc2F)s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000011726448 556646930 /nfs/dbraw/zinc/64/69/30/556646930.db2.gz BCTZEFSFUIUOLZ-LSDHQDQOSA-N 0 0 449.529 2.624 50 0 IFAARN C[C@@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3ccc(F)cc3)c(=O)c2S1 ZINC000011726690 556647942 /nfs/dbraw/zinc/64/79/42/556647942.db2.gz CTKCQBVXKMIEOW-IUODEOHRSA-N 0 0 435.546 2.796 50 0 IFAARN COc1ccccc1-c1noc(Cn2c3ccccc3c(=O)n(Cc3ccco3)c2=O)n1 ZINC000038487313 556648426 /nfs/dbraw/zinc/64/84/26/556648426.db2.gz VUSJNQQJAHHZIE-UHFFFAOYSA-N 0 0 430.420 2.911 50 0 IFAARN Cc1ccc(OCCNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000032924119 556648483 /nfs/dbraw/zinc/64/84/83/556648483.db2.gz WHDBJUXVYTZFDL-UHFFFAOYSA-N 0 0 441.347 2.573 50 0 IFAARN CC[C@@H](C)N(C(=O)COC(=O)CSc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000011722569 556648540 /nfs/dbraw/zinc/64/85/40/556648540.db2.gz VXCKQVHAJUTZBZ-SJORKVTESA-N 0 0 427.588 2.753 50 0 IFAARN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2ccccc2F)n1C ZINC000010616665 556649272 /nfs/dbraw/zinc/64/92/72/556649272.db2.gz WNMDVTZRKIQUEC-GOSISDBHSA-N 0 0 440.500 2.840 50 0 IFAARN CCOc1cccc2cc(C(=O)NCCCn3nc(-c4ccncc4)ccc3=O)c(=O)oc21 ZINC000011746560 556650110 /nfs/dbraw/zinc/65/01/10/556650110.db2.gz GGTCJLBXRFBKNP-UHFFFAOYSA-N 0 0 446.463 2.631 50 0 IFAARN CCCc1nc(SCC(=O)Nc2c(C)cc(C)cc2C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000011758083 556652284 /nfs/dbraw/zinc/65/22/84/556652284.db2.gz WBODOYCHQIUNIQ-UHFFFAOYSA-N 0 0 441.557 2.636 50 0 IFAARN O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)NCc1ccc(F)cc1 ZINC000011758499 556653007 /nfs/dbraw/zinc/65/30/07/556653007.db2.gz HEFSJCCMJDBDCW-UHFFFAOYSA-N 0 0 426.452 2.956 50 0 IFAARN Cc1ccc(Cn2nnc3c2ncnc3SCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000011758459 556653028 /nfs/dbraw/zinc/65/30/28/556653028.db2.gz RSBTZCPYMRAJEV-UHFFFAOYSA-N 0 0 448.508 2.715 50 0 IFAARN COC(=O)c1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)cc1 ZINC000011758623 556653445 /nfs/dbraw/zinc/65/34/45/556653445.db2.gz VBVRTEHHKJPQPN-UHFFFAOYSA-N 0 0 438.444 2.867 50 0 IFAARN COC(=O)CNC(=O)c1sc(-n2nc(C)c(Cc3ccc(OC)cc3)c2C)nc1C ZINC000033000049 556653985 /nfs/dbraw/zinc/65/39/85/556653985.db2.gz IVIOBPWEJTTZDZ-UHFFFAOYSA-N 0 0 428.514 2.756 50 0 IFAARN Cc1ccc2oc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc(=O)c2c1 ZINC000017053843 556654755 /nfs/dbraw/zinc/65/47/55/556654755.db2.gz CJBGNTZJOVXGJX-UHFFFAOYSA-N 0 0 446.912 2.902 50 0 IFAARN CCc1nnc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)s1 ZINC000033004658 556654778 /nfs/dbraw/zinc/65/47/78/556654778.db2.gz GDQRSSODJRUIQV-UHFFFAOYSA-N 0 0 437.503 2.907 50 0 IFAARN CC(C)n1ncc2cc(C(=O)NCc3ccc(CN4C(=O)NC(C)(C)C4=O)cc3)cnc21 ZINC000032926629 556655459 /nfs/dbraw/zinc/65/54/59/556655459.db2.gz IEXGOXDDMGKENP-UHFFFAOYSA-N 0 0 434.500 2.773 50 0 IFAARN O=C(NCc1ccco1)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 ZINC000033006282 556655685 /nfs/dbraw/zinc/65/56/85/556655685.db2.gz GJAJNVKZATWLDK-IBGZPJMESA-N 0 0 443.507 2.966 50 0 IFAARN COc1ccc(C(=O)O[C@H](C(N)=O)c2ccccc2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000011809491 556657910 /nfs/dbraw/zinc/65/79/10/556657910.db2.gz ZCOQDXZIWRAMDU-QRWLVFNGSA-N 0 0 446.525 2.642 50 0 IFAARN CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nncn2n1 ZINC000033011335 556659827 /nfs/dbraw/zinc/65/98/27/556659827.db2.gz GKRIOPVWOURSLQ-OAHLLOKOSA-N 0 0 433.472 2.890 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)cc1Cl ZINC000017096252 556659944 /nfs/dbraw/zinc/65/99/44/556659944.db2.gz UVQOCQAQHZWVQO-UHFFFAOYSA-N 0 0 428.963 2.652 50 0 IFAARN C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)c2C(N)=O)C1 ZINC000017097050 556661000 /nfs/dbraw/zinc/66/10/00/556661000.db2.gz MZJKNLUNFCMKCI-CQSZACIVSA-N 0 0 430.549 2.872 50 0 IFAARN COc1cccc(F)c1-c1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)s1 ZINC000011866112 556665695 /nfs/dbraw/zinc/66/56/95/556665695.db2.gz XDIQSXGWILBSPI-UHFFFAOYSA-N 0 0 435.502 2.844 50 0 IFAARN C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)C(=O)N1CCc2ccccc21 ZINC000017127687 556668821 /nfs/dbraw/zinc/66/88/21/556668821.db2.gz OWLZIAPEBAFWSL-CYBMUJFWSA-N 0 0 448.928 2.915 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2csc3nc(-c4ccccc4)cn23)cc1 ZINC000011902424 556669690 /nfs/dbraw/zinc/66/96/90/556669690.db2.gz BFDAOZDLPATNNB-UHFFFAOYSA-N 0 0 426.523 2.683 50 0 IFAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011904080 556670015 /nfs/dbraw/zinc/67/00/15/556670015.db2.gz GNWPDDVDTZWTMU-UHFFFAOYSA-N 0 0 428.919 2.824 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)cc1Cl ZINC000011904654 556670329 /nfs/dbraw/zinc/67/03/29/556670329.db2.gz PMDOONGUDGSSTF-UHFFFAOYSA-N 0 0 444.918 2.524 50 0 IFAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000011906034 556671220 /nfs/dbraw/zinc/67/12/20/556671220.db2.gz CWQSSJQFLFNNQA-UHFFFAOYSA-N 0 0 428.919 2.824 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)c1 ZINC000017171385 556671373 /nfs/dbraw/zinc/67/13/73/556671373.db2.gz YMXVDTSKHNAYIS-UHFFFAOYSA-N 0 0 431.558 2.556 50 0 IFAARN C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)CCN2CCCS2(=O)=O)[C@H]1C ZINC000248170776 556672473 /nfs/dbraw/zinc/67/24/73/556672473.db2.gz VXTORAWHPUQEOC-AOIWGVFYSA-N 0 0 436.574 2.994 50 0 IFAARN COc1cc(CCC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc(OC)c1OC ZINC000032930453 556673987 /nfs/dbraw/zinc/67/39/87/556673987.db2.gz HPPWQGFAHRWUQC-CALCHBBNSA-N 0 0 443.544 2.970 50 0 IFAARN COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1 ZINC000011915046 556674212 /nfs/dbraw/zinc/67/42/12/556674212.db2.gz QHVRYVSXQMBZFF-UHFFFAOYSA-N 0 0 443.481 2.623 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CN1CCN(CCSc3ccccc3)CC1)OCO2 ZINC000032932766 556676127 /nfs/dbraw/zinc/67/61/27/556676127.db2.gz SEVANBBDAHAVPY-UHFFFAOYSA-N 0 0 441.553 2.966 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)c(F)c1 ZINC000044916689 556681532 /nfs/dbraw/zinc/68/15/32/556681532.db2.gz OVNFEZVIULFXHO-UHFFFAOYSA-N 0 0 440.450 2.546 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000033326631 556682979 /nfs/dbraw/zinc/68/29/79/556682979.db2.gz MEMJIKYNNGMSSW-HNNXBMFYSA-N 0 0 444.531 2.986 50 0 IFAARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(C)c2)c1O ZINC000000728386 556683397 /nfs/dbraw/zinc/68/33/97/556683397.db2.gz WIILUOZMTZFJAE-XDHOZWIPSA-N 0 0 430.464 2.963 50 0 IFAARN C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000010634635 556686400 /nfs/dbraw/zinc/68/64/00/556686400.db2.gz ZIQMIXHILBIIAU-AWEZNQCLSA-N 0 0 429.498 2.531 50 0 IFAARN COC[C@H](C)NC(=O)Cn1nc(C)c(NC(=O)c2cc(-c3ccccc3F)no2)c1C ZINC000018210305 556687073 /nfs/dbraw/zinc/68/70/73/556687073.db2.gz UTJFFHZTSYTJPL-LBPRGKRZSA-N 0 0 429.452 2.697 50 0 IFAARN CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)NCCCN3CCCC3=O)c2)s1 ZINC000033022873 556688459 /nfs/dbraw/zinc/68/84/59/556688459.db2.gz YGLMSKJQKFGAPP-UHFFFAOYSA-N 0 0 429.546 2.731 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)C1 ZINC000046005171 556689412 /nfs/dbraw/zinc/68/94/12/556689412.db2.gz YWYVWIOWZVHEPK-MRXNPFEDSA-N 0 0 442.903 2.618 50 0 IFAARN O=C(CS(=O)(=O)c1ccc(F)c(F)c1)Nc1ccccc1I ZINC000032937284 556689984 /nfs/dbraw/zinc/68/99/84/556689984.db2.gz SKPMKKYNFIIBOA-UHFFFAOYSA-N 0 0 437.205 2.982 50 0 IFAARN C[C@H](C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21)N1C(=O)NC2(CCCC2)C1=O ZINC000252516340 556690593 /nfs/dbraw/zinc/69/05/93/556690593.db2.gz SCZFTINAQACSSV-QZWWFDLISA-N 0 0 433.549 2.741 50 0 IFAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000252518193 556690780 /nfs/dbraw/zinc/69/07/80/556690780.db2.gz AHGLDBDJWXRFGQ-JOCHJYFZSA-N 0 0 434.540 2.872 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCN3CCCC3=O)c2)cc1 ZINC000033023733 556693880 /nfs/dbraw/zinc/69/38/80/556693880.db2.gz ILAOCYQTPKHGAL-UHFFFAOYSA-N 0 0 445.541 2.547 50 0 IFAARN Cc1cccc(CN2CCN(C(=O)COC(=O)c3cc4c(c(Cl)c3)OCO4)CC2)c1 ZINC000024223389 556694525 /nfs/dbraw/zinc/69/45/25/556694525.db2.gz VDNWWHYQWRIQAU-UHFFFAOYSA-N 0 0 430.888 2.878 50 0 IFAARN CCOc1ccc(/C=c2/sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)cc1 ZINC000048513312 556699908 /nfs/dbraw/zinc/69/99/08/556699908.db2.gz ASZSRPMIDJMRBI-VCHYOVAHSA-N 0 0 439.493 2.790 50 0 IFAARN CN(C)S(=O)(=O)c1cc(NCc2ccco2)cc(C(=O)N(C)Cc2nccs2)c1 ZINC000019144984 556706874 /nfs/dbraw/zinc/70/68/74/556706874.db2.gz BXKVRJXSOBCNFC-UHFFFAOYSA-N 0 0 434.543 2.871 50 0 IFAARN CSc1nccc(N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)n1 ZINC000019147384 556706858 /nfs/dbraw/zinc/70/68/58/556706858.db2.gz FFHOTDNRCNJIMO-GOSISDBHSA-N 0 0 426.590 2.939 50 0 IFAARN COc1ccc(CNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc1 ZINC000049672410 556707361 /nfs/dbraw/zinc/70/73/61/556707361.db2.gz UXVGABIHDPOJIY-UHFFFAOYSA-N 0 0 439.903 2.756 50 0 IFAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Br)cc2)cc1 ZINC000019171248 556707418 /nfs/dbraw/zinc/70/74/18/556707418.db2.gz OCXOEGZKKXKHMB-QRVBRYPASA-N 0 0 442.313 2.993 50 0 IFAARN CC[C@@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000033034015 556715131 /nfs/dbraw/zinc/71/51/31/556715131.db2.gz ZOENZJFFMCJHIX-OAHLLOKOSA-N 0 0 434.537 2.564 50 0 IFAARN Cc1ccc(NC(=O)NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000011137733 556719665 /nfs/dbraw/zinc/71/96/65/556719665.db2.gz PFPUYDYAOGZUDH-UHFFFAOYSA-N 0 0 440.452 2.929 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1C ZINC000033037688 556723373 /nfs/dbraw/zinc/72/33/73/556723373.db2.gz QPWSNFMIKIPWDA-UHFFFAOYSA-N 0 0 438.553 2.750 50 0 IFAARN COc1cccc(NC(=O)[C@H]2CC(=O)Nc3c2c(=O)[nH]c(=O)n3CCc2ccccc2)c1 ZINC000061717805 556724309 /nfs/dbraw/zinc/72/43/09/556724309.db2.gz QJUGDSFGADEHPG-KRWDZBQOSA-N 0 0 434.452 2.502 50 0 IFAARN COc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000061717467 556724341 /nfs/dbraw/zinc/72/43/41/556724341.db2.gz ASNKPJYSRCIXRC-OAHLLOKOSA-N 0 0 434.452 2.502 50 0 IFAARN COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3c2c(=O)[nH]c(=O)n3CCc2ccccc2)c1 ZINC000061717804 556724378 /nfs/dbraw/zinc/72/43/78/556724378.db2.gz QJUGDSFGADEHPG-QGZVFWFLSA-N 0 0 434.452 2.502 50 0 IFAARN O=C(CSc1ccc(F)cc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000019247328 556726927 /nfs/dbraw/zinc/72/69/27/556726927.db2.gz GGPVAIGKZJKBQF-UHFFFAOYSA-N 0 0 426.510 2.731 50 0 IFAARN O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccccc1 ZINC000061720572 556727954 /nfs/dbraw/zinc/72/79/54/556727954.db2.gz BHMPBXKOMIYDDW-UHFFFAOYSA-N 0 0 437.931 2.540 50 0 IFAARN CCOc1ccc(CC(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)cc1OCC ZINC000072330957 556728645 /nfs/dbraw/zinc/72/86/45/556728645.db2.gz HMEUCURKGBQNIM-UHFFFAOYSA-N 0 0 431.485 2.903 50 0 IFAARN O=C(COC(=O)COc1ccc(I)cc1)NCc1ccccc1 ZINC000072330975 556728881 /nfs/dbraw/zinc/72/88/81/556728881.db2.gz XZBIFAPJIGUTLT-UHFFFAOYSA-N 0 0 425.222 2.530 50 0 IFAARN Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCN2CCOCC2)cc1 ZINC000033927501 556733118 /nfs/dbraw/zinc/73/31/18/556733118.db2.gz BNROTWAQEKDXGW-LTGZKZEYSA-N 0 0 427.932 2.868 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000019313791 556735558 /nfs/dbraw/zinc/73/55/58/556735558.db2.gz MKKYHIMYOKYEQL-HXUWFJFHSA-N 0 0 449.294 2.759 50 0 IFAARN O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000078902760 556736353 /nfs/dbraw/zinc/73/63/53/556736353.db2.gz RVCNVQSBIZTDTQ-UHFFFAOYSA-N 0 0 427.482 2.755 50 0 IFAARN CCOCCOc1ccc(S(=O)(=O)N[C@H](c2noc(C)n2)c2ccccc2OC)cc1 ZINC000078808803 556736661 /nfs/dbraw/zinc/73/66/61/556736661.db2.gz JQFPTYNKJAPCKC-FQEVSTJZSA-N 0 0 447.513 2.870 50 0 IFAARN CN1c2ccccc2C2(C1=O)N1CC3(c4ccccc4)CN2CC(c2ccccc2)(C1)C3O ZINC000019331139 556736796 /nfs/dbraw/zinc/73/67/96/556736796.db2.gz UTPONTKZXUKBRI-UHFFFAOYSA-N 0 0 437.543 2.698 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000019334264 556737925 /nfs/dbraw/zinc/73/79/25/556737925.db2.gz JYQADNKFDXUPRR-UHFFFAOYSA-N 0 0 429.542 2.556 50 0 IFAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CN2C(=O)CSC2=O)cc1 ZINC000019336350 556738515 /nfs/dbraw/zinc/73/85/15/556738515.db2.gz ZMEFBADLAVEONH-INIZCTEOSA-N 0 0 428.514 2.706 50 0 IFAARN CCN(Cc1ccncc1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 ZINC000055245322 556738694 /nfs/dbraw/zinc/73/86/94/556738694.db2.gz KAQQRBUTKTYQIO-IBGZPJMESA-N 0 0 434.462 2.840 50 0 IFAARN Cc1cccc2sc(N(C[C@H]3CCCO3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)nc21 ZINC000013793621 556739239 /nfs/dbraw/zinc/73/92/39/556739239.db2.gz DOZKVQZRQVYHML-HZPDHXFCSA-N 0 0 437.587 2.931 50 0 IFAARN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CCN(C(C)C)CC4)c3C)ncc1CC2 ZINC000055344674 556740423 /nfs/dbraw/zinc/74/04/23/556740423.db2.gz ABOHEZSMEKFHMI-UHFFFAOYSA-N 0 0 446.555 2.911 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)N1CCOc2ccccc2C1 ZINC000055359393 556740479 /nfs/dbraw/zinc/74/04/79/556740479.db2.gz GTWFNFXZXYSCJD-IBGZPJMESA-N 0 0 431.895 2.591 50 0 IFAARN COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000055568915 556742476 /nfs/dbraw/zinc/74/24/76/556742476.db2.gz XMBPXMDEQWCWOY-VRIXXSSPSA-N 0 0 437.584 2.840 50 0 IFAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000033047635 556743110 /nfs/dbraw/zinc/74/31/10/556743110.db2.gz FFKKYAZMZMKNSZ-UHFFFAOYSA-N 0 0 440.974 2.524 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)N[C@H]1CCOc2ccccc21 ZINC000019353545 556745000 /nfs/dbraw/zinc/74/50/00/556745000.db2.gz AZMMWQCGCKESJW-SFHVURJKSA-N 0 0 447.582 2.988 50 0 IFAARN CC(C)c1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1 ZINC000019367267 556746341 /nfs/dbraw/zinc/74/63/41/556746341.db2.gz HBFYQGVZVRTRBP-OAQYLSRUSA-N 0 0 435.524 2.988 50 0 IFAARN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3C[C@H](C)C(=O)C[C@@H]3C)c21 ZINC000005249828 556746800 /nfs/dbraw/zinc/74/68/00/556746800.db2.gz ZXPNTKNDRGETDK-KBPBESRZSA-N 0 0 429.517 2.910 50 0 IFAARN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1cc(-c2ccc3c(c2)CCO3)[nH]n1 ZINC000206240247 556749224 /nfs/dbraw/zinc/74/92/24/556749224.db2.gz IDUYCISVGMIXDV-HXUWFJFHSA-N 0 0 443.463 2.821 50 0 IFAARN CCOC(=O)c1ccc(N2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nc1 ZINC000057997226 556751818 /nfs/dbraw/zinc/75/18/18/556751818.db2.gz RCXSGLSTZNBRJI-UHFFFAOYSA-N 0 0 441.912 2.952 50 0 IFAARN CCOC(=O)[C@H](CNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)Cc1ccccc1 ZINC000058003364 556752131 /nfs/dbraw/zinc/75/21/31/556752131.db2.gz WYBYWCOUWUDEJE-IBGZPJMESA-N 0 0 432.542 2.525 50 0 IFAARN COC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000058003976 556752397 /nfs/dbraw/zinc/75/23/97/556752397.db2.gz VTBRRXRBTMXRHG-UHFFFAOYSA-N 0 0 440.905 2.671 50 0 IFAARN COc1ccc2c(CC(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)coc2c1 ZINC000011156769 556752632 /nfs/dbraw/zinc/75/26/32/556752632.db2.gz JQSWGMUIJDCOKK-UHFFFAOYSA-N 0 0 428.510 2.953 50 0 IFAARN Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1F ZINC000011163864 556759739 /nfs/dbraw/zinc/75/97/39/556759739.db2.gz QJLICCUPCVEMMJ-UHFFFAOYSA-N 0 0 431.533 2.568 50 0 IFAARN CCCN1c2ccc(Br)cc2C2(C1=O)N1CC3(C)CN2CC(CC)(C1)C3=O ZINC000096551157 556761190 /nfs/dbraw/zinc/76/11/90/556761190.db2.gz ZIWMYKABTRVQMT-UHFFFAOYSA-N 0 0 432.362 2.975 50 0 IFAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32c3cc(C)ccc3NC2=O)cc1 ZINC000061942934 556762486 /nfs/dbraw/zinc/76/24/86/556762486.db2.gz ZSEGZJLUJNPPPJ-UGCAPWQASA-N 0 0 429.476 2.629 50 0 IFAARN COc1cccc(N2C[C@@H](C(=O)Nc3ccc(CN4C(=O)CSC4=O)cc3)CC2=O)c1 ZINC000058155703 556762498 /nfs/dbraw/zinc/76/24/98/556762498.db2.gz WWEMAZFMVGIXLJ-HNNXBMFYSA-N 0 0 439.493 2.882 50 0 IFAARN CCCCc1cc(=O)oc2c3c(cc(OCC(=O)NCC(=O)OC)c12)OC(C)(C)CC3 ZINC000062001480 556764448 /nfs/dbraw/zinc/76/44/48/556764448.db2.gz KAHKMZGXULULEQ-UHFFFAOYSA-N 0 0 431.485 2.907 50 0 IFAARN CCSc1nnc(NC(=O)[C@@H]2CCCN(Cc3nc(-c4ccncc4)no3)C2)s1 ZINC000062022926 556766364 /nfs/dbraw/zinc/76/63/64/556766364.db2.gz PJXQPJQAEJJHTN-CYBMUJFWSA-N 0 0 431.547 2.946 50 0 IFAARN CCSc1nnc(NC(=O)[C@H]2CCCN(Cc3nc(-c4ccncc4)no3)C2)s1 ZINC000062022927 556766382 /nfs/dbraw/zinc/76/63/82/556766382.db2.gz PJXQPJQAEJJHTN-ZDUSSCGKSA-N 0 0 431.547 2.946 50 0 IFAARN CCOC(=O)c1sc2[nH]c(CN3CCN(c4ccccc4OC)CC3)nc(=O)c2c1C ZINC000058165234 556766523 /nfs/dbraw/zinc/76/65/23/556766523.db2.gz KVJAYKBTKZQHHM-UHFFFAOYSA-N 0 0 442.541 2.801 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)C2CN(c3nc4ccc(OC)cc4s3)C2)n1 ZINC000062023124 556766604 /nfs/dbraw/zinc/76/66/04/556766604.db2.gz RNFNGOSLKMBVKH-UHFFFAOYSA-N 0 0 432.527 2.942 50 0 IFAARN C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 ZINC000058166752 556766786 /nfs/dbraw/zinc/76/67/86/556766786.db2.gz ULKSDRODGYXFLV-AWEZNQCLSA-N 0 0 429.908 2.797 50 0 IFAARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000058170307 556767958 /nfs/dbraw/zinc/76/79/58/556767958.db2.gz LEZFPQNRDYWPBK-UHFFFAOYSA-N 0 0 446.433 2.752 50 0 IFAARN CC(=O)c1ccc(N2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)CC2)c(F)c1 ZINC000058170340 556768006 /nfs/dbraw/zinc/76/80/06/556768006.db2.gz KOOPVTHSYRXFPY-INIZCTEOSA-N 0 0 438.503 2.914 50 0 IFAARN CC(C)N(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058174282 556769192 /nfs/dbraw/zinc/76/91/92/556769192.db2.gz LWLRGMOGMNGVEN-INIZCTEOSA-N 0 0 433.512 2.897 50 0 IFAARN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CSc2nncn2-c2ccc(OC)cc2)C1 ZINC000058195384 556770598 /nfs/dbraw/zinc/77/05/98/556770598.db2.gz PKOZUROUEBNCHX-DLBZAZTESA-N 0 0 445.589 2.911 50 0 IFAARN NC(=O)[C@H]1CC(C(=O)NCc2cccnc2Oc2cccc(F)c2)=NN1c1ccccc1 ZINC000058224832 556773495 /nfs/dbraw/zinc/77/34/95/556773495.db2.gz FYUMIHWEWAIKEO-HXUWFJFHSA-N 0 0 433.443 2.749 50 0 IFAARN Cc1ccc(NC(=O)NC[C@@H]2CCCN(CC(=O)NC(=O)NCc3ccccc3)C2)cc1 ZINC000058224353 556773500 /nfs/dbraw/zinc/77/35/00/556773500.db2.gz NAHJHZYLPDEULH-FQEVSTJZSA-N 0 0 437.544 2.855 50 0 IFAARN COc1ccc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(Br)c1OC ZINC000058345140 556782346 /nfs/dbraw/zinc/78/23/46/556782346.db2.gz UFPUJZFQGMEVRY-UHFFFAOYSA-N 0 0 435.196 2.794 50 0 IFAARN CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)c1 ZINC000058355133 556782382 /nfs/dbraw/zinc/78/23/82/556782382.db2.gz QTTVSGKMZOLYTG-UHFFFAOYSA-N 0 0 446.934 2.614 50 0 IFAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000058393473 556785022 /nfs/dbraw/zinc/78/50/22/556785022.db2.gz IOMUZZXDSQEKML-UHFFFAOYSA-N 0 0 430.888 2.734 50 0 IFAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cccnc1Oc1cccc(Br)c1 ZINC000058425540 556787678 /nfs/dbraw/zinc/78/76/78/556787678.db2.gz UUSJUAWMOHDZML-LBPRGKRZSA-N 0 0 425.304 2.801 50 0 IFAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1cccnc1Oc1cccc(Br)c1 ZINC000058425545 556787789 /nfs/dbraw/zinc/78/77/89/556787789.db2.gz UUSJUAWMOHDZML-GFCCVEGCSA-N 0 0 425.304 2.801 50 0 IFAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2nnc(Cc3ccccc3)o2)CC1 ZINC000058434462 556788248 /nfs/dbraw/zinc/78/82/48/556788248.db2.gz BHVIRCRRIKBGHJ-UHFFFAOYSA-N 0 0 432.933 2.820 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cnc3c(cnn3C(C)C)c2)cc1OC ZINC000058481555 556789378 /nfs/dbraw/zinc/78/93/78/556789378.db2.gz LCQYMWISTVTHIY-CQSZACIVSA-N 0 0 426.473 2.891 50 0 IFAARN C[C@@H]1CN([C@@H](CNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c2c(F)cccc2Cl)CCO1 ZINC000058953963 556793453 /nfs/dbraw/zinc/79/34/53/556793453.db2.gz GEEATKIKUODUAU-OGWOLHLISA-N 0 0 437.943 2.616 50 0 IFAARN Cc1ccc(-c2nnn(CC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)n2)cc1 ZINC000019533848 556793579 /nfs/dbraw/zinc/79/35/79/556793579.db2.gz WAKDLICAKWMHRF-UHFFFAOYSA-N 0 0 428.378 2.887 50 0 IFAARN CCOc1cccc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1 ZINC000059059081 556794591 /nfs/dbraw/zinc/79/45/91/556794591.db2.gz RIZLDMYZMSDSPU-LJQANCHMSA-N 0 0 426.513 2.810 50 0 IFAARN Cc1ccccc1-c1noc(CN2CCN(CC(=O)N(C)Cc3ccc(F)cc3)CC2)n1 ZINC000059384729 556799223 /nfs/dbraw/zinc/79/92/23/556799223.db2.gz QJGYUTSKHPXZEO-UHFFFAOYSA-N 0 0 437.519 2.960 50 0 IFAARN COc1ccc(Cc2nn3c(nc2=O)s/c(=C\c2ccc(C(C)(C)C)cc2)c3=O)cc1 ZINC000002252676 556799747 /nfs/dbraw/zinc/79/97/47/556799747.db2.gz YEOYTTZUEFYPFR-ZHZULCJRSA-N 0 0 433.533 2.956 50 0 IFAARN CC1(C)COCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000002494166 556800018 /nfs/dbraw/zinc/80/00/18/556800018.db2.gz WKGOGGLABZUJME-UHFFFAOYSA-N 0 0 446.460 2.885 50 0 IFAARN Cc1cc(C)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1C ZINC000002629894 556801032 /nfs/dbraw/zinc/80/10/32/556801032.db2.gz XTLZEJNTWLSNKK-UHFFFAOYSA-N 0 0 449.500 2.812 50 0 IFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCc2ccccc21 ZINC000002650998 556802260 /nfs/dbraw/zinc/80/22/60/556802260.db2.gz IGSJQUOCOMSJKX-UHFFFAOYSA-N 0 0 448.566 2.671 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000002648675 556802304 /nfs/dbraw/zinc/80/23/04/556802304.db2.gz WRMYXRUQVYEAJQ-UHFFFAOYSA-N 0 0 436.917 2.981 50 0 IFAARN Cc1noc([C@H]2CCCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)C2)n1 ZINC000059589060 556802896 /nfs/dbraw/zinc/80/28/96/556802896.db2.gz CLMDDVLKPJOZKG-HKUYNNGSSA-N 0 0 434.562 2.786 50 0 IFAARN COCCNC(=O)c1ccc(N2CCC(C)CC2)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000033053303 556803653 /nfs/dbraw/zinc/80/36/53/556803653.db2.gz FAJDUAIRKWEAHZ-UHFFFAOYSA-N 0 0 437.606 2.720 50 0 IFAARN CN(C)C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 ZINC000059759804 556804263 /nfs/dbraw/zinc/80/42/63/556804263.db2.gz PMJJLJOESYLHSL-UHFFFAOYSA-N 0 0 436.578 2.583 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1 ZINC000060111210 556806689 /nfs/dbraw/zinc/80/66/89/556806689.db2.gz QJFRLYVFZCOIMT-SFHVURJKSA-N 0 0 447.601 2.751 50 0 IFAARN Cc1ccc(CNC(=O)Cn2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)o1 ZINC000033057801 556807875 /nfs/dbraw/zinc/80/78/75/556807875.db2.gz SYQDGKKDEJAPLY-UHFFFAOYSA-N 0 0 442.479 2.899 50 0 IFAARN COc1ccc(-c2cc(COC(=O)CCNC3=NS(=O)(=O)c4ccccc43)on2)cc1 ZINC000011204122 556812051 /nfs/dbraw/zinc/81/20/51/556812051.db2.gz LSUXVUCVAGUJAQ-UHFFFAOYSA-N 0 0 441.465 2.522 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000003338381 556812762 /nfs/dbraw/zinc/81/27/62/556812762.db2.gz DISYINMYPAVWJB-UHFFFAOYSA-N 0 0 437.452 2.535 50 0 IFAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)COC(=O)c2cccn2C)cc1 ZINC000003339799 556813097 /nfs/dbraw/zinc/81/30/97/556813097.db2.gz KVGCEXURIYAJST-UHFFFAOYSA-N 0 0 435.480 2.802 50 0 IFAARN CC[C@@H](C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)CC1 ZINC000097943687 556813469 /nfs/dbraw/zinc/81/34/69/556813469.db2.gz DMPGKTZKSSSLSK-OXQOHEQNSA-N 0 0 425.533 2.625 50 0 IFAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NC5CCCC5)CC4)c3CO2)cc1 ZINC000097943694 556813501 /nfs/dbraw/zinc/81/35/01/556813501.db2.gz GRXMXIMFSHAMDI-OAQYLSRUSA-N 0 0 437.544 2.769 50 0 IFAARN Cc1ccc(-n2ncc(C(N)=O)c2NC(=S)NC(=O)c2ccc(Br)o2)cc1 ZINC000003434798 556815414 /nfs/dbraw/zinc/81/54/14/556815414.db2.gz HOGFTEKBKKGANJ-UHFFFAOYSA-N 0 0 448.302 2.762 50 0 IFAARN CCN(c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(C)C ZINC000060384316 556816473 /nfs/dbraw/zinc/81/64/73/556816473.db2.gz MVYLLRIRWNLZTC-UHFFFAOYSA-N 0 0 447.557 2.952 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2sc3ncccc3c2-n2cccc2)cc1 ZINC000033059830 556816524 /nfs/dbraw/zinc/81/65/24/556816524.db2.gz HESRKYHDZDYKNE-UHFFFAOYSA-N 0 0 426.523 2.707 50 0 IFAARN CCN(CC)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000003481887 556816561 /nfs/dbraw/zinc/81/65/61/556816561.db2.gz OUNVSVFDWSWNFL-UHFFFAOYSA-N 0 0 438.933 2.844 50 0 IFAARN C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NC[C@@H]1CCCO1 ZINC000072402947 556818794 /nfs/dbraw/zinc/81/87/94/556818794.db2.gz UMNGYEDDZXPBOI-ZFWWWQNUSA-N 0 0 429.348 2.509 50 0 IFAARN CC(C)OCCCNC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O ZINC000033068574 556823958 /nfs/dbraw/zinc/82/39/58/556823958.db2.gz IPHOCADDBZXLLZ-UHFFFAOYSA-N 0 0 443.931 2.796 50 0 IFAARN COc1cccc(CC(=O)N2CCc3c(c(C(=O)NCc4cccc(C)c4)nn3C)C2)c1 ZINC000064892937 556828052 /nfs/dbraw/zinc/82/80/52/556828052.db2.gz UELIRUXTEQKXDZ-UHFFFAOYSA-N 0 0 432.524 2.795 50 0 IFAARN Cc1cccc(CNC(=O)c2nn(C)c3c2CN(C(=O)COc2cccc(C)c2)CC3)c1 ZINC000064892967 556828055 /nfs/dbraw/zinc/82/80/55/556828055.db2.gz IWYGQRAIQKWEAY-UHFFFAOYSA-N 0 0 432.524 2.931 50 0 IFAARN COc1cccc(CC(=O)N2CCc3c(c(C(=O)NCc4ccc(F)cc4)nn3C)C2)c1 ZINC000064893001 556828200 /nfs/dbraw/zinc/82/82/00/556828200.db2.gz PQXWEKUHTCJRIV-UHFFFAOYSA-N 0 0 436.487 2.625 50 0 IFAARN Cn1nc(C(=O)N2CCCC2)c2c1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000064893342 556828483 /nfs/dbraw/zinc/82/84/83/556828483.db2.gz UODKGHBBUUIRAT-UHFFFAOYSA-N 0 0 430.574 2.701 50 0 IFAARN Cc1cccc(CNC(=O)c2nn(C)c3c2CN(S(=O)(=O)c2cccc(C)c2)CC3)c1 ZINC000064893243 556828498 /nfs/dbraw/zinc/82/84/98/556828498.db2.gz PZPQLSRAVHIHPM-UHFFFAOYSA-N 0 0 438.553 2.714 50 0 IFAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)CC1 ZINC000065362881 556834594 /nfs/dbraw/zinc/83/45/94/556834594.db2.gz FOONPIYJNJVGKS-UHFFFAOYSA-N 0 0 427.448 2.894 50 0 IFAARN Cc1nccn1-c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cn1 ZINC000062580863 556836687 /nfs/dbraw/zinc/83/66/87/556836687.db2.gz HOKCLICEHIPTPG-UHFFFAOYSA-N 0 0 431.543 2.677 50 0 IFAARN CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2=O)cc1 ZINC000334160585 556836808 /nfs/dbraw/zinc/83/68/08/556836808.db2.gz HYGFVVATFIWZFC-GOSISDBHSA-N 0 0 444.532 2.704 50 0 IFAARN O=C(C[C@@H]([NH2+]CCCN1CCOCC1)C(=O)[O-])Nc1ccc(Nc2ccccc2)cc1 ZINC000022996980 556839063 /nfs/dbraw/zinc/83/90/63/556839063.db2.gz KUEZZGLJBFUHFY-OAQYLSRUSA-N 0 0 426.517 2.524 50 0 IFAARN CCOc1ccc(C2=N/C(=C/c3ccc(OCC(N)=O)c(OC)c3)C(=O)O2)cc1OCC ZINC000096635036 556839588 /nfs/dbraw/zinc/83/95/88/556839588.db2.gz RTZPWCXNNRQZJI-MHWRWJLKSA-N 0 0 440.452 2.701 50 0 IFAARN COc1ccc(CCNC(=O)Cn2cnc3onc(-c4ccc(C)cc4)c3c2=O)cc1OC ZINC000033069070 556839664 /nfs/dbraw/zinc/83/96/64/556839664.db2.gz RDPQAQWNAMERLE-UHFFFAOYSA-N 0 0 448.479 2.736 50 0 IFAARN Cc1sc2nc(SCC(N)=O)n(NC(=O)CSCc3ccccc3)c(=O)c2c1C ZINC000019647992 556841045 /nfs/dbraw/zinc/84/10/45/556841045.db2.gz NDKMGUCUFIQARU-UHFFFAOYSA-N 0 0 448.595 2.656 50 0 IFAARN O=C1C[C@H](N(O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000096786947 556842787 /nfs/dbraw/zinc/84/27/87/556842787.db2.gz NLJPYVXYHVMUHZ-HOTGVXAUSA-N 0 0 448.262 2.649 50 0 IFAARN Nn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000008719388 556843232 /nfs/dbraw/zinc/84/32/32/556843232.db2.gz FAEOXGBEWGAIAK-UHFFFAOYSA-N 0 0 428.949 2.753 50 0 IFAARN Cc1nc(SCC(=O)c2ccc3c(c2)CCC3)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000008719663 556843257 /nfs/dbraw/zinc/84/32/57/556843257.db2.gz NPDQILMSDWPYNY-UHFFFAOYSA-N 0 0 438.553 2.918 50 0 IFAARN O=C(CCC(=O)c1cccs1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000008728187 556843793 /nfs/dbraw/zinc/84/37/93/556843793.db2.gz VXQJWHKZEQYKJH-UHFFFAOYSA-N 0 0 426.491 2.510 50 0 IFAARN Cc1nc(S[C@H](C)C(=O)NCC2CCCCC2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000008769399 556845957 /nfs/dbraw/zinc/84/59/57/556845957.db2.gz XXHLQCYVTSYMHL-CQSZACIVSA-N 0 0 447.605 2.632 50 0 IFAARN C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008851072 556850067 /nfs/dbraw/zinc/85/00/67/556850067.db2.gz XQOWQOFQJZYZKW-GFCCVEGCSA-N 0 0 438.889 2.521 50 0 IFAARN CC(C)NC(=O)N1C[C@H](C(=O)N2CCN(C)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097954609 556850424 /nfs/dbraw/zinc/85/04/24/556850424.db2.gz BBNLCPGVHJJUEI-MSOLQXFVSA-N 0 0 426.483 2.613 50 0 IFAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)COC(=O)c1ccc(-n2cnnn2)cc1 ZINC000008883742 556850698 /nfs/dbraw/zinc/85/06/98/556850698.db2.gz IYFKVLZYRZWSDB-UHFFFAOYSA-N 0 0 443.485 2.567 50 0 IFAARN COc1ccc(NC(=O)C2CCN(C(=O)c3sc4[nH]cnc(=O)c4c3C)CC2)cc1 ZINC000033073510 556852754 /nfs/dbraw/zinc/85/27/54/556852754.db2.gz LDSLXWFJCBHINN-UHFFFAOYSA-N 0 0 426.498 2.793 50 0 IFAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(CC(=O)NC(C)C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078758 556854004 /nfs/dbraw/zinc/85/40/04/556854004.db2.gz RIPCPVCNALACHV-UHFFFAOYSA-N 0 0 438.528 2.592 50 0 IFAARN Cc1ccccc1C(=O)Nc1ccc(N2CCN(CC(=O)NC(C)C)CC2)c(C(=O)[O-])c1 ZINC000033078761 556854048 /nfs/dbraw/zinc/85/40/48/556854048.db2.gz FTQCTWBJENAGAB-UHFFFAOYSA-N 0 0 438.528 2.592 50 0 IFAARN Cc1cc(C)c(OCC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 ZINC000008986970 556854457 /nfs/dbraw/zinc/85/44/57/556854457.db2.gz IEKBOCODFIDMJA-UHFFFAOYSA-N 0 0 436.505 2.789 50 0 IFAARN Cc1cc(F)ccc1NC(=O)Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000033077257 556854542 /nfs/dbraw/zinc/85/45/42/556854542.db2.gz BREDGQARJMWAJP-UHFFFAOYSA-N 0 0 443.500 2.872 50 0 IFAARN COCCCNC(=O)C1CCN(c2ncnc3onc(-c4ccc(OC)cc4)c32)CC1 ZINC000033084917 556855082 /nfs/dbraw/zinc/85/50/82/556855082.db2.gz CXUGVRDALYNAGV-UHFFFAOYSA-N 0 0 425.489 2.663 50 0 IFAARN COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)NC[C@H]4CCCO4)C3)s2)cc1 ZINC000033113153 556859760 /nfs/dbraw/zinc/85/97/60/556859760.db2.gz ALBFXMBTMCCEAN-RHSMWYFYSA-N 0 0 445.545 2.867 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)c3ccccc32)cc1Cl ZINC000033115958 556861799 /nfs/dbraw/zinc/86/17/99/556861799.db2.gz DQKABNINVOLAMD-UHFFFAOYSA-N 0 0 428.876 2.809 50 0 IFAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000033122479 556863590 /nfs/dbraw/zinc/86/35/90/556863590.db2.gz UFLRTDGHABKMNM-UHFFFAOYSA-N 0 0 431.514 2.741 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)c1 ZINC000033124889 556866263 /nfs/dbraw/zinc/86/62/63/556866263.db2.gz GXZQRPCGYFYIIK-CQSZACIVSA-N 0 0 425.416 2.954 50 0 IFAARN CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)NCc3ccccc3)cc21 ZINC000033129797 556869309 /nfs/dbraw/zinc/86/93/09/556869309.db2.gz DZYIUVUZWMJMPE-UHFFFAOYSA-N 0 0 427.570 2.885 50 0 IFAARN Cc1ccc(F)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cscn1 ZINC000033138986 556872884 /nfs/dbraw/zinc/87/28/84/556872884.db2.gz DLHOSHOXLDSHSJ-SFHVURJKSA-N 0 0 433.530 2.797 50 0 IFAARN COC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(CCn2cnc3cccnc32)CC1 ZINC000033139699 556874543 /nfs/dbraw/zinc/87/45/43/556874543.db2.gz AEAAXDOLEPIVNM-UHFFFAOYSA-N 0 0 442.907 2.721 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2c(C)cccc2C)c1=O ZINC000033140974 556876747 /nfs/dbraw/zinc/87/67/47/556876747.db2.gz YBMRWYRIJAWUDV-UHFFFAOYSA-N 0 0 441.557 2.885 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O ZINC000033140963 556876763 /nfs/dbraw/zinc/87/67/63/556876763.db2.gz YFOQAHSFFASHQP-UHFFFAOYSA-N 0 0 449.483 2.547 50 0 IFAARN CSc1cccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC3CC3)c2=O)c1 ZINC000033141608 556878065 /nfs/dbraw/zinc/87/80/65/556878065.db2.gz XOWDMMRKTPPUTM-UHFFFAOYSA-N 0 0 436.537 2.968 50 0 IFAARN C/C(=C/C(=O)OCC(=O)NC1CCCCCC1)C(=O)OCC(=O)NC1CCCCCC1 ZINC000060510104 556879975 /nfs/dbraw/zinc/87/99/75/556879975.db2.gz LUPLEIPMUXWKLS-VKAVYKQESA-N 0 0 436.549 2.697 50 0 IFAARN COc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3)c2N)cc1OC ZINC000033171852 556882575 /nfs/dbraw/zinc/88/25/75/556882575.db2.gz KPOJKXJIAMHXTQ-UHFFFAOYSA-N 0 0 426.498 2.603 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)NC2CCN(c3nc4ccccc4n(C)c3=O)CC2)c1 ZINC000033169701 556884741 /nfs/dbraw/zinc/88/47/41/556884741.db2.gz MBTUAICAHQHORI-UHFFFAOYSA-N 0 0 449.511 2.901 50 0 IFAARN COc1ccc(NC(=O)NC2CCN(c3nc4ccccc4n(C)c3=O)CC2)c(OC)c1 ZINC000033169697 556884789 /nfs/dbraw/zinc/88/47/89/556884789.db2.gz GIRYPZBIMCJZBM-UHFFFAOYSA-N 0 0 437.500 2.741 50 0 IFAARN O=C(NCCc1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2)c1ccoc1 ZINC000019742071 556885648 /nfs/dbraw/zinc/88/56/48/556885648.db2.gz BMBNAOLVYYWOTQ-RGEXLXHISA-N 0 0 425.920 2.982 50 0 IFAARN CN(c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1)S(C)(=O)=O ZINC000071754961 556887533 /nfs/dbraw/zinc/88/75/33/556887533.db2.gz VCFAAIOESUXYTD-UHFFFAOYSA-N 0 0 445.541 2.726 50 0 IFAARN O=C(Cc1ccc(F)cc1)N[C@@H](O)C(Br)(Br)Br ZINC000071770028 556888009 /nfs/dbraw/zinc/88/80/09/556888009.db2.gz GZVYHATUMCSMNO-VIFPVBQESA-N 0 0 433.897 2.641 50 0 IFAARN O=C(Nc1ccc(N2CCCC2)nc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000033241455 556889488 /nfs/dbraw/zinc/88/94/88/556889488.db2.gz DWWUVNDYCHLPLV-UHFFFAOYSA-N 0 0 428.558 2.862 50 0 IFAARN O=C(NCc1ccccc1Cl)c1ccc(CN2CC(=O)N3CSC[C@H]3C2=O)cc1 ZINC000033249809 556891007 /nfs/dbraw/zinc/89/10/07/556891007.db2.gz MPGFAHUDEOWCHV-SFHVURJKSA-N 0 0 429.929 2.514 50 0 IFAARN CCN1C(=O)c2cc(C(=O)NCCC3=CCCCC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000033249945 556891216 /nfs/dbraw/zinc/89/12/16/556891216.db2.gz UENSGTKNECLIKI-XMMPIXPASA-N 0 0 441.576 2.797 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(c1ccc(F)cc1)C2=O ZINC000033249991 556891326 /nfs/dbraw/zinc/89/13/26/556891326.db2.gz QFIUTSXVTCSOEO-QFIPXVFZSA-N 0 0 428.464 2.677 50 0 IFAARN O=C(NC1CC1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000033255652 556894960 /nfs/dbraw/zinc/89/49/60/556894960.db2.gz VNCUXYWVPZBAJJ-GOSISDBHSA-N 0 0 442.585 2.904 50 0 IFAARN O=C(c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nn1)N1CCc2ccccc21 ZINC000033257928 556895701 /nfs/dbraw/zinc/89/57/01/556895701.db2.gz AFUXZPSYTSQRLY-UHFFFAOYSA-N 0 0 443.507 2.730 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1C ZINC000033262006 556900089 /nfs/dbraw/zinc/90/00/89/556900089.db2.gz AHCYLTLRBWYDOL-DNVCBOLYSA-N 0 0 443.525 2.815 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1)c1ccccc1 ZINC000033262218 556900518 /nfs/dbraw/zinc/90/05/18/556900518.db2.gz QWSSDBBJXMBPJP-DOTOQJQBSA-N 0 0 428.514 2.948 50 0 IFAARN O=C(CN1CCOCC1)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000019772694 556913119 /nfs/dbraw/zinc/91/31/19/556913119.db2.gz QRSFJETWRUTZDF-OAQYLSRUSA-N 0 0 444.329 2.651 50 0 IFAARN O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc(Br)cc1 ZINC000019816827 556919725 /nfs/dbraw/zinc/91/97/25/556919725.db2.gz OPSGJKAMHLCCGJ-OAQYLSRUSA-N 0 0 445.313 2.546 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C(=O)c2ccc(F)cc2)n2cc(Cl)ccc2=O)C1 ZINC000019823128 556924693 /nfs/dbraw/zinc/92/46/93/556924693.db2.gz LSQXEIAJPUYUEJ-HNAYVOBHSA-N 0 0 448.878 2.867 50 0 IFAARN O=C(NCCN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1ccccc1 ZINC000019831491 556926734 /nfs/dbraw/zinc/92/67/34/556926734.db2.gz DXFHQKHGCXUPNF-UHFFFAOYSA-N 0 0 449.382 2.544 50 0 IFAARN O=C(CCc1cccnc1)NCc1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2 ZINC000019838673 556928749 /nfs/dbraw/zinc/92/87/49/556928749.db2.gz KUIUGAZUQLGPDO-UHFFFAOYSA-N 0 0 442.926 2.773 50 0 IFAARN CCOc1ccccc1NC(=O)[C@H]1CC(=O)NC(Nc2nc(C)c3cc(C)ccc3n2)=N1 ZINC000019866197 556934408 /nfs/dbraw/zinc/93/44/08/556934408.db2.gz YJGGFQVJYUONEI-GOSISDBHSA-N 0 0 432.484 2.940 50 0 IFAARN COc1cc(COC[C@@H](O)CN2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000019867241 556934628 /nfs/dbraw/zinc/93/46/28/556934628.db2.gz OQHYXWTZUJLSBC-SFHVURJKSA-N 0 0 434.508 2.551 50 0 IFAARN COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000019868462 556935251 /nfs/dbraw/zinc/93/52/51/556935251.db2.gz BODWPFDUWRMVIX-UHFFFAOYSA-N 0 0 434.489 2.793 50 0 IFAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC ZINC000019894137 556940334 /nfs/dbraw/zinc/94/03/34/556940334.db2.gz JKKTTWYHKIQCJE-VQTJNVASSA-N 0 0 428.485 2.688 50 0 IFAARN CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019899321 556941685 /nfs/dbraw/zinc/94/16/85/556941685.db2.gz BPAXILQIWYBIKF-UHFFFAOYSA-N 0 0 429.586 2.652 50 0 IFAARN O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)c1ccccc1 ZINC000019901348 556942049 /nfs/dbraw/zinc/94/20/49/556942049.db2.gz VTQXFXCZJKVYDY-UHFFFAOYSA-N 0 0 427.504 2.936 50 0 IFAARN CCOc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000019909384 556942844 /nfs/dbraw/zinc/94/28/44/556942844.db2.gz OFWGTRDWMCCOTI-UHFFFAOYSA-N 0 0 432.542 2.937 50 0 IFAARN O=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)NCCN1CCOCC1 ZINC000019928826 556946569 /nfs/dbraw/zinc/94/65/69/556946569.db2.gz ZZUUFZGULQUYPH-UHFFFAOYSA-N 0 0 440.931 2.555 50 0 IFAARN Cc1ccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000019938208 556952220 /nfs/dbraw/zinc/95/22/20/556952220.db2.gz LGYHIRTWNLTSBH-RMKNXTFCSA-N 0 0 427.570 2.619 50 0 IFAARN O=C1CCCN1c1ccc(S(=O)(=O)NCCc2csc(-c3ccncc3)n2)cc1 ZINC000019942575 556953498 /nfs/dbraw/zinc/95/34/98/556953498.db2.gz WISLBJKNNOYISK-UHFFFAOYSA-N 0 0 428.539 2.853 50 0 IFAARN O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1cccc(Br)c1 ZINC000019991017 556956692 /nfs/dbraw/zinc/95/66/92/556956692.db2.gz JXZZDPSZEIIWSX-OAQYLSRUSA-N 0 0 445.313 2.546 50 0 IFAARN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)o1)N1CCN(c2ccccn2)CC1 ZINC000033263915 556958636 /nfs/dbraw/zinc/95/86/36/556958636.db2.gz NFMOJKVSNAGKIW-UHFFFAOYSA-N 0 0 428.392 2.859 50 0 IFAARN Cn1nc(C(C)(C)C)cc1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000020013314 556961053 /nfs/dbraw/zinc/96/10/53/556961053.db2.gz PBMFZSRYGFNQGB-UHFFFAOYSA-N 0 0 429.546 2.517 50 0 IFAARN CC(C)Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(F)cc1F ZINC000020018391 556963415 /nfs/dbraw/zinc/96/34/15/556963415.db2.gz SSQYUPFLVWOKDD-UHFFFAOYSA-N 0 0 425.505 2.775 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)NCC(=O)N3CCc4ccccc4C3)c(C)s2)no1 ZINC000033263977 556973439 /nfs/dbraw/zinc/97/34/39/556973439.db2.gz MOALAJQFMHOENI-UHFFFAOYSA-N 0 0 446.554 2.532 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccc(C)cc3)c(C)s2)no1 ZINC000033263973 556973492 /nfs/dbraw/zinc/97/34/92/556973492.db2.gz MTEHXUZTHHZEQO-UHFFFAOYSA-N 0 0 434.543 2.572 50 0 IFAARN COc1cc(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)cc(OC)c1 ZINC000033264892 556974811 /nfs/dbraw/zinc/97/48/11/556974811.db2.gz ZAXXKGRAXUQTEW-UHFFFAOYSA-N 0 0 449.511 2.912 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)c1 ZINC000033264832 556974857 /nfs/dbraw/zinc/97/48/57/556974857.db2.gz KASKWCIHGLKDKF-UHFFFAOYSA-N 0 0 438.553 2.750 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3cccc(OC)c3OC)C2)cc1 ZINC000020052131 556975008 /nfs/dbraw/zinc/97/50/08/556975008.db2.gz YNALFFOFKCPBSZ-NRFANRHFSA-N 0 0 439.512 2.722 50 0 IFAARN C[C@@H](NC(=O)[C@H](C)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000036425595 556977273 /nfs/dbraw/zinc/97/72/73/556977273.db2.gz SEEIOXKGHDVQFJ-WCIQWLHISA-N 0 0 432.584 2.514 50 0 IFAARN COc1cc([C@H]2c3c(C)[nH]nc3N=C3COC(=O)C32)cc(Br)c1OC(C)=O ZINC000020086581 556978984 /nfs/dbraw/zinc/97/89/84/556978984.db2.gz DZIKZPDICAHMPI-AWEZNQCLSA-N 0 0 434.246 2.783 50 0 IFAARN COCCN(C(=O)Nc1ccccc1N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000097032908 556979570 /nfs/dbraw/zinc/97/95/70/556979570.db2.gz ZJBNZWWBIWTUCP-IBGZPJMESA-N 0 0 431.558 2.990 50 0 IFAARN COc1ccc([C@@H]2NC3=NCN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)cc1OC ZINC000020101757 556980398 /nfs/dbraw/zinc/98/03/98/556980398.db2.gz XBEFSQNRRQJJJP-HTAPYJJXSA-N 0 0 448.527 2.776 50 0 IFAARN CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000097105716 556987930 /nfs/dbraw/zinc/98/79/30/556987930.db2.gz QWRJIOZQEHMEHW-QGZVFWFLSA-N 0 0 445.925 2.961 50 0 IFAARN Cc1nccn1-c1cc(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)ccn1 ZINC000097112539 556989550 /nfs/dbraw/zinc/98/95/50/556989550.db2.gz NATOFZIYOPPXMH-ZCNNSNEGSA-N 0 0 435.528 2.558 50 0 IFAARN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O ZINC000097109056 556990065 /nfs/dbraw/zinc/99/00/65/556990065.db2.gz GECCAOHJYFQHQO-GFCCVEGCSA-N 0 0 443.447 2.857 50 0 IFAARN O=S(=O)(c1ccc2ccccc2c1)N(C[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000020150252 556991267 /nfs/dbraw/zinc/99/12/67/556991267.db2.gz NRHAHXFSEJKCFS-QFIPXVFZSA-N 0 0 426.538 2.728 50 0 IFAARN Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)s1 ZINC000097138644 556991757 /nfs/dbraw/zinc/99/17/57/556991757.db2.gz CNJYUQMFUUQPRD-GOSISDBHSA-N 0 0 437.525 2.518 50 0 IFAARN Cc1ccsc1C(=O)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000097139667 556991991 /nfs/dbraw/zinc/99/19/91/556991991.db2.gz OVRRZSCLGYSTEO-SFHVURJKSA-N 0 0 437.525 2.518 50 0 IFAARN COc1ccc([C@@H]([C@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC ZINC000020191916 556996328 /nfs/dbraw/zinc/99/63/28/556996328.db2.gz AUNVLATUOFSGJT-FCHUYYIVSA-N 0 0 446.569 2.722 50 0 IFAARN COc1ccc(Cc2noc(CN3CCN(Cc4csc(C)n4)CC3)n2)cc1OC ZINC000020204728 556998021 /nfs/dbraw/zinc/99/80/21/556998021.db2.gz PNHKFLPCXMDJLK-UHFFFAOYSA-N 0 0 429.546 2.760 50 0 IFAARN CCn1nc(C)c(CNC(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)c1C ZINC000077351981 556999048 /nfs/dbraw/zinc/99/90/48/556999048.db2.gz OLZMNZHULGLCGI-UHFFFAOYSA-N 0 0 428.533 2.848 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1nc2c(C)cccc2c(=O)[nH]1 ZINC000023105639 557000949 /nfs/dbraw/zinc/00/09/49/557000949.db2.gz DWZPNAMULGKQLB-UHFFFAOYSA-N 0 0 429.527 2.541 50 0 IFAARN COc1cccc([C@@H](CNS(=O)(=O)c2cc(C)c(C)cc2OC)N2CCOCC2)c1 ZINC000023108066 557002441 /nfs/dbraw/zinc/00/24/41/557002441.db2.gz CGKZKXUJOKZPMG-HXUWFJFHSA-N 0 0 434.558 2.672 50 0 IFAARN CCC(CC)N(c1ccc(C)c(C)c1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000097212574 557005186 /nfs/dbraw/zinc/00/51/86/557005186.db2.gz WSRSKNAMRVYJNQ-UHFFFAOYSA-N 0 0 430.530 2.623 50 0 IFAARN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccc(F)c2)N(CCN2CCOCC2)C1=O ZINC000020308467 557006780 /nfs/dbraw/zinc/00/67/80/557006780.db2.gz MIKPPJKQHIGKLS-NRFANRHFSA-N 0 0 438.455 2.818 50 0 IFAARN CCOc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(C[C@@H]4CCCO4)c3=O)n2)cc1 ZINC000023126722 557011320 /nfs/dbraw/zinc/01/13/20/557011320.db2.gz BKCZZWKBOWLCCM-SFHVURJKSA-N 0 0 448.479 2.839 50 0 IFAARN COC(=O)c1ccc(C)c(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000020395727 557013455 /nfs/dbraw/zinc/01/34/55/557013455.db2.gz QZDAIUAOVHKETC-UHFFFAOYSA-N 0 0 449.554 2.611 50 0 IFAARN Cc1cccc(-c2noc(Cn3cnc4c(nnn4Cc4cc(F)cc(F)c4)c3=O)n2)c1 ZINC000045971188 557013900 /nfs/dbraw/zinc/01/39/00/557013900.db2.gz RTEFPNIXFFHBTA-UHFFFAOYSA-N 0 0 435.394 2.721 50 0 IFAARN CN1C(=O)C[C@@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)[C@@H]1c1ccccc1 ZINC000020427306 557015815 /nfs/dbraw/zinc/01/58/15/557015815.db2.gz JOCUEBGLTXSEOI-KDOFPFPSSA-N 0 0 429.523 2.858 50 0 IFAARN CN1C(=O)C[C@@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)[C@H]1c1ccccc1 ZINC000020427309 557015839 /nfs/dbraw/zinc/01/58/39/557015839.db2.gz JOCUEBGLTXSEOI-RDTXWAMCSA-N 0 0 429.523 2.858 50 0 IFAARN CCOc1ccc(-n2nnnc2CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000023134972 557017576 /nfs/dbraw/zinc/01/75/76/557017576.db2.gz YLRCNJHYWHLEFA-UHFFFAOYSA-N 0 0 440.935 2.601 50 0 IFAARN COc1cc(NC(=O)COC(=O)CCc2c(C)nc3ncnn3c2C)c(OC)cc1Cl ZINC000010684682 557017869 /nfs/dbraw/zinc/01/78/69/557017869.db2.gz LTXYFIUSIMIGGJ-UHFFFAOYSA-N 0 0 447.879 2.526 50 0 IFAARN Cc1nn(CCC(=O)Nc2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000046004467 557019343 /nfs/dbraw/zinc/01/93/43/557019343.db2.gz LFKSQKMJMPWTJO-UHFFFAOYSA-N 0 0 448.545 2.678 50 0 IFAARN O=C(COc1ccc(Cl)cc1Cl)NCCS(=O)(=O)N1CCc2ccccc2C1 ZINC000010704946 557020077 /nfs/dbraw/zinc/02/00/77/557020077.db2.gz OQQZUPDDTNVMIK-UHFFFAOYSA-N 0 0 443.352 2.877 50 0 IFAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC000010737775 557022395 /nfs/dbraw/zinc/02/23/95/557022395.db2.gz SFZBYMUZLHDWKR-CQSZACIVSA-N 0 0 432.571 2.723 50 0 IFAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC000010737774 557022415 /nfs/dbraw/zinc/02/24/15/557022415.db2.gz SFZBYMUZLHDWKR-AWEZNQCLSA-N 0 0 432.571 2.723 50 0 IFAARN CNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)s1 ZINC000023141737 557023183 /nfs/dbraw/zinc/02/31/83/557023183.db2.gz SFNZIMLDZBNFDQ-UHFFFAOYSA-N 0 0 433.603 2.636 50 0 IFAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OC ZINC000046016774 557023395 /nfs/dbraw/zinc/02/33/95/557023395.db2.gz PNPVCMDWEUGIIQ-HNNXBMFYSA-N 0 0 433.472 2.890 50 0 IFAARN CCn1nc(-c2ccc(C)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)c2c(c1=O)CCCC2 ZINC000046027505 557023595 /nfs/dbraw/zinc/02/35/95/557023595.db2.gz YGSPFNJYZCUZQP-KRWDZBQOSA-N 0 0 431.558 2.575 50 0 IFAARN COc1ccc(OCC(=O)Nc2c3c(nn2CC(=O)NCc2ccco2)CSC3)cc1 ZINC000023139306 557023894 /nfs/dbraw/zinc/02/38/94/557023894.db2.gz IKGCYUBQHQOQID-UHFFFAOYSA-N 0 0 442.497 2.565 50 0 IFAARN C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2 ZINC000023139386 557023940 /nfs/dbraw/zinc/02/39/40/557023940.db2.gz PEBNNLVMPKLGFD-AWEZNQCLSA-N 0 0 426.498 2.945 50 0 IFAARN O=C(COc1ccccc1F)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2 ZINC000023139309 557023992 /nfs/dbraw/zinc/02/39/92/557023992.db2.gz IHCRKQGSSXJOTK-UHFFFAOYSA-N 0 0 430.461 2.696 50 0 IFAARN CCn1nc(-c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c2c(c1=O)CCCC2 ZINC000046027877 557024061 /nfs/dbraw/zinc/02/40/61/557024061.db2.gz TVLRKXIWAOJNMX-UHFFFAOYSA-N 0 0 431.558 2.992 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)n2-c2ccccc2)cc1 ZINC000046031457 557024446 /nfs/dbraw/zinc/02/44/46/557024446.db2.gz HFWHXCXILLSRSL-UHFFFAOYSA-N 0 0 434.481 2.798 50 0 IFAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)c1ccc(Br)s1)C2=O ZINC000010757983 557024637 /nfs/dbraw/zinc/02/46/37/557024637.db2.gz SCYBWPOVJFHQOD-BTDLBPIBSA-N 0 0 443.319 2.737 50 0 IFAARN CCOC(=O)c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)n1 ZINC000010776991 557025533 /nfs/dbraw/zinc/02/55/33/557025533.db2.gz ZICZEWPTLOGPRO-GFCCVEGCSA-N 0 0 429.545 2.563 50 0 IFAARN O=C(CN1CCN(Cc2nc(-c3ccco3)cs2)CC1)NCc1ccc2c(c1)OCO2 ZINC000023145365 557026916 /nfs/dbraw/zinc/02/69/16/557026916.db2.gz RTUPZAHWFBHAAF-UHFFFAOYSA-N 0 0 440.525 2.566 50 0 IFAARN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)n1c(=O)c(C(F)(F)F)nc2ccccc21 ZINC000032944816 557027096 /nfs/dbraw/zinc/02/70/96/557027096.db2.gz KBIJIXOQFKMVEX-ZDUSSCGKSA-N 0 0 448.401 2.554 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C)cc3C)c(C)cc2NC1=O ZINC000046056168 557027276 /nfs/dbraw/zinc/02/72/76/557027276.db2.gz AGPNYZGXSAQLIS-GOSISDBHSA-N 0 0 445.541 2.981 50 0 IFAARN C[C@H](C(=O)N1CCN(c2ccccn2)CC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944807 557027815 /nfs/dbraw/zinc/02/78/15/557027815.db2.gz ZPOOCZYVSVYDRH-CQSZACIVSA-N 0 0 431.418 2.720 50 0 IFAARN COc1ccccc1-n1ccn2c(SCC(=O)Nc3cccc(C(C)=O)c3)nnc2c1=O ZINC000046047025 557028073 /nfs/dbraw/zinc/02/80/73/557028073.db2.gz QBAFVVXMWYIPAR-UHFFFAOYSA-N 0 0 449.492 2.822 50 0 IFAARN COCSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cccc(OC)c1 ZINC000032945162 557028377 /nfs/dbraw/zinc/02/83/77/557028377.db2.gz JKGLJHCNDNYFOX-UHFFFAOYSA-N 0 0 434.543 2.889 50 0 IFAARN Cc1ccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1Br ZINC000010834523 557033044 /nfs/dbraw/zinc/03/30/44/557033044.db2.gz YFVNERUVQSCPMC-HNNXBMFYSA-N 0 0 441.347 2.978 50 0 IFAARN Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000010860013 557039057 /nfs/dbraw/zinc/03/90/57/557039057.db2.gz GJTJKMSTFTXYRZ-LBPRGKRZSA-N 0 0 431.445 2.514 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 ZINC000032947278 557041707 /nfs/dbraw/zinc/04/17/07/557041707.db2.gz NSVHGHLKPBPXSE-AWEZNQCLSA-N 0 0 447.538 2.676 50 0 IFAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(Br)o3)CC2)cc1 ZINC000046145010 557043021 /nfs/dbraw/zinc/04/30/21/557043021.db2.gz KJXGAESDQZQVPQ-UHFFFAOYSA-N 0 0 427.320 2.934 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000046145192 557043347 /nfs/dbraw/zinc/04/33/47/557043347.db2.gz ICPVSDOLQIQXNN-UHFFFAOYSA-N 0 0 438.933 2.940 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)Nc1ccc2c(c1)OCCO2 ZINC000010864227 557043668 /nfs/dbraw/zinc/04/36/68/557043668.db2.gz HGRYFLYUJUFEMO-UHFFFAOYSA-N 0 0 449.554 2.758 50 0 IFAARN CCCCC(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(OC)cc1)n(C)c(=O)n2C ZINC000046146209 557044585 /nfs/dbraw/zinc/04/45/85/557044585.db2.gz NIYCGWNCLCPECR-UHFFFAOYSA-N 0 0 431.514 2.847 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000017285141 557045056 /nfs/dbraw/zinc/04/50/56/557045056.db2.gz KNFDXJLEBQFKHJ-LJQANCHMSA-N 0 0 441.597 2.749 50 0 IFAARN CCN(CC)CCNc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000017287665 557045235 /nfs/dbraw/zinc/04/52/35/557045235.db2.gz FQOXHVXZBVDZAL-UHFFFAOYSA-N 0 0 445.632 2.832 50 0 IFAARN COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN[C@H](C)c3ccccc3Cl)nc(=O)c12 ZINC000017289188 557046087 /nfs/dbraw/zinc/04/60/87/557046087.db2.gz OLTNNKIZRVVGPV-SNVBAGLBSA-N 0 0 449.916 2.991 50 0 IFAARN Cc1cccc(-c2noc(CS(=O)(=O)[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n2)c1 ZINC000048235405 557046790 /nfs/dbraw/zinc/04/67/90/557046790.db2.gz RMVSZITWYVHCSB-CQSZACIVSA-N 0 0 443.481 2.758 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000022920051 557047035 /nfs/dbraw/zinc/04/70/35/557047035.db2.gz IDHRJKMSHCAAIP-UHFFFAOYSA-N 0 0 447.583 2.700 50 0 IFAARN COC(=O)c1cc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)n2)c[nH]1 ZINC000048236712 557047580 /nfs/dbraw/zinc/04/75/80/557047580.db2.gz PDQCQFXDIQRCII-ZDUSSCGKSA-N 0 0 431.518 2.791 50 0 IFAARN CCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)CCCc2nnnn2-c2ccccc2)cc1 ZINC000048230238 557048681 /nfs/dbraw/zinc/04/86/81/557048681.db2.gz INRCTRXHBCIOMY-MRXNPFEDSA-N 0 0 427.530 2.599 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCC[C@H](c4nncn4C)C3)cc2)c1C ZINC000048260869 557049245 /nfs/dbraw/zinc/04/92/45/557049245.db2.gz GNALBSWMGORCLO-INIZCTEOSA-N 0 0 437.504 2.897 50 0 IFAARN C[C@H](NC(=O)CN1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)c1ccccc1Cl ZINC000022929496 557049428 /nfs/dbraw/zinc/04/94/28/557049428.db2.gz ACLCBKDMLFZOMZ-QRVBRYPASA-N 0 0 435.012 2.639 50 0 IFAARN COc1ccc(OC)c(CN2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)c1 ZINC000022931359 557050090 /nfs/dbraw/zinc/05/00/90/557050090.db2.gz LDHCIHHYJZXTBI-UHFFFAOYSA-N 0 0 428.920 2.912 50 0 IFAARN CCCCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1=NCCS1 ZINC000048263597 557050139 /nfs/dbraw/zinc/05/01/39/557050139.db2.gz WSDACQJPUOTKFC-HNNXBMFYSA-N 0 0 427.567 2.958 50 0 IFAARN C[C@@H](c1nnnn1-c1ccccc1)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000048273527 557051021 /nfs/dbraw/zinc/05/10/21/557051021.db2.gz JULDTFXDRUHXBK-INIZCTEOSA-N 0 0 425.514 2.574 50 0 IFAARN O=C(Nc1ccccc1F)c1nnc(C2CCN(C(=O)NC[C@H]3CCCO3)CC2)s1 ZINC000033273172 557051535 /nfs/dbraw/zinc/05/15/35/557051535.db2.gz BBDBBHGLUSYJSN-CQSZACIVSA-N 0 0 433.509 2.998 50 0 IFAARN C[C@@H](C(=O)NCc1ccccc1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000022933996 557051622 /nfs/dbraw/zinc/05/16/22/557051622.db2.gz LUNKFNFZQSNTSU-KRWDZBQOSA-N 0 0 448.489 2.966 50 0 IFAARN O=C(CN1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1)Nc1ccc(F)cc1 ZINC000022934613 557052129 /nfs/dbraw/zinc/05/21/29/557052129.db2.gz XZRHTDJTSQZPLE-UHFFFAOYSA-N 0 0 443.454 2.683 50 0 IFAARN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000048253989 557052529 /nfs/dbraw/zinc/05/25/29/557052529.db2.gz VXNYAGBIISIDFL-CZUORRHYSA-N 0 0 437.418 2.897 50 0 IFAARN CCCCN(C)S(=O)(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000048288032 557053630 /nfs/dbraw/zinc/05/36/30/557053630.db2.gz VRQVPWVDCXBTHG-UHFFFAOYSA-N 0 0 435.569 2.614 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)CCc3ccccc3)CC1)n2C ZINC000033275542 557054730 /nfs/dbraw/zinc/05/47/30/557054730.db2.gz YXFPYCCLQRWASX-UHFFFAOYSA-N 0 0 433.556 2.552 50 0 IFAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCC[C@H](c4nncn4C)C3)c2)c1C ZINC000048290466 557055007 /nfs/dbraw/zinc/05/50/07/557055007.db2.gz LNZFIOUBFQAHFQ-INIZCTEOSA-N 0 0 437.504 2.897 50 0 IFAARN CCOc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N1CCCC1 ZINC000023003751 557056734 /nfs/dbraw/zinc/05/67/34/557056734.db2.gz WMTNNTNOPBZQGG-UHFFFAOYSA-N 0 0 441.509 2.964 50 0 IFAARN O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000048278494 557057082 /nfs/dbraw/zinc/05/70/82/557057082.db2.gz FBXCHCJUIWKNNF-YLJYHZDGSA-N 0 0 443.548 2.853 50 0 IFAARN O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000048278492 557057178 /nfs/dbraw/zinc/05/71/78/557057178.db2.gz FBXCHCJUIWKNNF-PXNSSMCTSA-N 0 0 443.548 2.853 50 0 IFAARN CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)NC3CCCC3)c1)NC(=O)CCC2=O ZINC000033276714 557057355 /nfs/dbraw/zinc/05/73/55/557057355.db2.gz NWIBOHVBADAIES-UHFFFAOYSA-N 0 0 446.529 2.715 50 0 IFAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1nc(N2CCOCC2)ncc1Cl ZINC000048286132 557058137 /nfs/dbraw/zinc/05/81/37/557058137.db2.gz UBCHLLIZJYCYNT-UHFFFAOYSA-N 0 0 436.850 2.984 50 0 IFAARN COc1cccc(NC(=O)CSc2ccc(N3CCC(C(=O)NC4CC4)CC3)nn2)c1 ZINC000033277147 557058243 /nfs/dbraw/zinc/05/82/43/557058243.db2.gz ABPJGKUIKWTXTQ-UHFFFAOYSA-N 0 0 441.557 2.711 50 0 IFAARN Cc1ccc(CNC(=O)CSc2ccc(N3CCC(C(=O)NC4CC4)CC3)nn2)cc1 ZINC000033277163 557058553 /nfs/dbraw/zinc/05/85/53/557058553.db2.gz VXDCJDKKASPXKU-UHFFFAOYSA-N 0 0 439.585 2.689 50 0 IFAARN CCOC(=O)c1sc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1C ZINC000023038991 557058846 /nfs/dbraw/zinc/05/88/46/557058846.db2.gz DVRCNAZIWWDTBB-OAQYLSRUSA-N 0 0 445.497 2.648 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cc(C)ccn4)C3)c2)no1 ZINC000033279212 557059784 /nfs/dbraw/zinc/05/97/84/557059784.db2.gz UFEKNCPGWXJTDX-AWEZNQCLSA-N 0 0 447.542 2.849 50 0 IFAARN C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2Br)C[C@@H](C)O1 ZINC000048309603 557059912 /nfs/dbraw/zinc/05/99/12/557059912.db2.gz ZPSQBQIRCKGMAU-NFAWXSAZSA-N 0 0 435.359 2.851 50 0 IFAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NC[C@@H]2CCCO2)cn3C2CC2)CC1 ZINC000051364396 557060635 /nfs/dbraw/zinc/06/06/35/557060635.db2.gz DBZKBSCWLQKDFV-KRWDZBQOSA-N 0 0 442.535 2.526 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccnc4)C3)c2)no1 ZINC000033279133 557061103 /nfs/dbraw/zinc/06/11/03/557061103.db2.gz VSUYBYRILOLZBH-CYBMUJFWSA-N 0 0 433.515 2.541 50 0 IFAARN COc1cc(C(=O)Nc2cccc(CN3CCOCC3)c2)ccc1OCC(=O)NC(C)C ZINC000048311845 557061178 /nfs/dbraw/zinc/06/11/78/557061178.db2.gz IFLMDMPQWYZGFB-UHFFFAOYSA-N 0 0 441.528 2.683 50 0 IFAARN CC(C)NC(=O)Cn1c2ccccc2c2ncn(Cc3nc(-c4ccccc4)no3)c(=O)c21 ZINC000033280900 557062756 /nfs/dbraw/zinc/06/27/56/557062756.db2.gz QGFLPYGLAJIPGE-UHFFFAOYSA-N 0 0 442.479 2.974 50 0 IFAARN COc1ccccc1NC(=O)Cn1c2ccccc2c2ncn(Cc3nc(C)no3)c(=O)c21 ZINC000033280906 557062948 /nfs/dbraw/zinc/06/29/48/557062948.db2.gz LZQBHQSMHUYXAO-UHFFFAOYSA-N 0 0 444.451 2.738 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)Cn2c3ccccc3n(C3=CCCCC3)c2=O)CC1 ZINC000048301763 557063046 /nfs/dbraw/zinc/06/30/46/557063046.db2.gz QDQVCFJCSLEYQN-UHFFFAOYSA-N 0 0 426.517 2.955 50 0 IFAARN COC(=O)c1sc2nc(C)nc(NCc3ccc(OCC(N)=O)c(OC)c3)c2c1C ZINC000048314856 557065005 /nfs/dbraw/zinc/06/50/05/557065005.db2.gz PPYFXZSOHTUARP-UHFFFAOYSA-N 0 0 430.486 2.580 50 0 IFAARN CSc1nnnn1-c1cccc(NC(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)c1 ZINC000048324635 557065358 /nfs/dbraw/zinc/06/53/58/557065358.db2.gz LJNOAXJGTFKNOG-UHFFFAOYSA-N 0 0 441.517 2.584 50 0 IFAARN Cc1csc(SCc2ccc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)cc2)n1 ZINC000048325516 557066316 /nfs/dbraw/zinc/06/63/16/557066316.db2.gz UMDFQECXXGNRPY-UHFFFAOYSA-N 0 0 430.599 2.780 50 0 IFAARN Cc1noc(Cn2cnc3c4ccccc4n(CC(=O)NCc4ccc(C)cc4)c3c2=O)n1 ZINC000033280909 557066861 /nfs/dbraw/zinc/06/68/61/557066861.db2.gz IPQRQXIMNKUTQW-UHFFFAOYSA-N 0 0 442.479 2.716 50 0 IFAARN CCCc1noc(Cn2cnc3c4cc(C)ccc4n(CC(=O)N[C@H](C)CC)c3c2=O)n1 ZINC000033281189 557067148 /nfs/dbraw/zinc/06/71/48/557067148.db2.gz OPKUPRGKXDSKFW-OAHLLOKOSA-N 0 0 436.516 2.958 50 0 IFAARN Cc1oc(C(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000048326835 557069089 /nfs/dbraw/zinc/06/90/89/557069089.db2.gz ZSKPUQKLEAMAFW-LJQANCHMSA-N 0 0 448.541 2.860 50 0 IFAARN COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)o2)cc1OC ZINC000033290782 557069119 /nfs/dbraw/zinc/06/91/19/557069119.db2.gz DAIYIPAHLWHWTR-CYBMUJFWSA-N 0 0 426.404 2.999 50 0 IFAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048353935 557072310 /nfs/dbraw/zinc/07/23/10/557072310.db2.gz GTJKZIDLYKXLON-RXVVDRJESA-N 0 0 448.995 2.757 50 0 IFAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048353933 557072360 /nfs/dbraw/zinc/07/23/60/557072360.db2.gz GTJKZIDLYKXLON-NQIIRXRSSA-N 0 0 448.995 2.757 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000048354779 557072596 /nfs/dbraw/zinc/07/25/96/557072596.db2.gz VLNGPEQLJOGPIG-SQWLQELKSA-N 0 0 438.956 2.869 50 0 IFAARN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000048354168 557072625 /nfs/dbraw/zinc/07/26/25/557072625.db2.gz SDAHTGUDDOSOKS-MRXNPFEDSA-N 0 0 437.479 2.583 50 0 IFAARN COc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)c1OC ZINC000023221202 557074283 /nfs/dbraw/zinc/07/42/83/557074283.db2.gz VAVAIEYYMRQRCS-GFCCVEGCSA-N 0 0 437.470 2.512 50 0 IFAARN COc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC(F)F ZINC000048362416 557074339 /nfs/dbraw/zinc/07/43/39/557074339.db2.gz LOFAILLONGTIMS-UHFFFAOYSA-N 0 0 429.445 2.869 50 0 IFAARN CCOC(=O)Cc1csc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 ZINC000023223058 557074546 /nfs/dbraw/zinc/07/45/46/557074546.db2.gz FTTWDTOGSFPQSP-LLVKDONJSA-N 0 0 428.557 2.984 50 0 IFAARN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000048366461 557075010 /nfs/dbraw/zinc/07/50/10/557075010.db2.gz CHNFHNKZSOQPPU-SFHVURJKSA-N 0 0 428.286 2.828 50 0 IFAARN COC(=O)c1cc(C)nc2nc(S[C@H](C)C(=O)Nc3ccc(F)c(F)c3)[nH]c(=O)c21 ZINC000048368334 557075638 /nfs/dbraw/zinc/07/56/38/557075638.db2.gz ASEPPQIJGPJFIA-SECBINFHSA-N 0 0 434.424 2.811 50 0 IFAARN COc1ccc(-n2ncc3c2ncn(Cc2nc(-c4cccc(OC)c4)no2)c3=O)cc1 ZINC000033293078 557076015 /nfs/dbraw/zinc/07/60/15/557076015.db2.gz JCFJXKBRXBSQCF-UHFFFAOYSA-N 0 0 430.424 2.698 50 0 IFAARN Cc1csc2nc(COC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc(=O)n12 ZINC000011286310 557076904 /nfs/dbraw/zinc/07/69/04/557076904.db2.gz VHWACAPVLIJHTN-UHFFFAOYSA-N 0 0 429.473 2.799 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2nc3ccc(Sc4ccccc4)nn3c2=O)cc1 ZINC000049001630 557080759 /nfs/dbraw/zinc/08/07/59/557080759.db2.gz DMDKJWFPVIMQNL-UHFFFAOYSA-N 0 0 449.492 2.858 50 0 IFAARN Cc1ccc2c(c1)N(C(=O)Cn1nc3ccc(Sc4ccccc4)nn3c1=O)CCO2 ZINC000049001638 557080779 /nfs/dbraw/zinc/08/07/79/557080779.db2.gz GBUPOMDFLCTFRT-UHFFFAOYSA-N 0 0 433.493 2.776 50 0 IFAARN C[C@@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000023265993 557081180 /nfs/dbraw/zinc/08/11/80/557081180.db2.gz HGCCKFMWZCJKCO-LLVKDONJSA-N 0 0 439.873 2.911 50 0 IFAARN CS(=O)(=O)c1cccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000023307693 557083318 /nfs/dbraw/zinc/08/33/18/557083318.db2.gz HMKOALXKKBEKEG-UHFFFAOYSA-N 0 0 427.448 2.856 50 0 IFAARN O=C(CSc1nnnn1Cc1ccco1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000011314639 557084647 /nfs/dbraw/zinc/08/46/47/557084647.db2.gz DSFQETNGTUDBTM-UHFFFAOYSA-N 0 0 441.513 2.763 50 0 IFAARN O=C(Cn1c(=O)cnc2cc(C(=O)NC3CC3)ccc21)Nc1ccccc1C(F)(F)F ZINC000049008017 557085965 /nfs/dbraw/zinc/08/59/65/557085965.db2.gz HSIXTMKGRFDMHO-UHFFFAOYSA-N 0 0 430.386 2.946 50 0 IFAARN CCOc1ccc(NC(=O)Cn2nc3c(Oc4cccc(OC)c4)nccn3c2=O)cc1 ZINC000049008405 557086296 /nfs/dbraw/zinc/08/62/96/557086296.db2.gz VREJOBAMKZXYAO-UHFFFAOYSA-N 0 0 435.440 2.729 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)cc1OC ZINC000049008937 557086812 /nfs/dbraw/zinc/08/68/12/557086812.db2.gz YCOUSBBDQPMFMA-UHFFFAOYSA-N 0 0 443.529 2.972 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1nc2c(SC3CCCCC3)nccn2c1=O ZINC000049008956 557086819 /nfs/dbraw/zinc/08/68/19/557086819.db2.gz GGKITEPASJYPND-UHFFFAOYSA-N 0 0 441.513 2.741 50 0 IFAARN CCOc1ccc(-c2cc(=O)n(CCCC(=O)Nc3ccc(-n4cnnn4)cc3)cn2)cc1 ZINC000049028218 557088572 /nfs/dbraw/zinc/08/85/72/557088572.db2.gz CJTIIQVPVAKXOH-UHFFFAOYSA-N 0 0 445.483 2.704 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1 ZINC000023381258 557089132 /nfs/dbraw/zinc/08/91/32/557089132.db2.gz UTCBFPARJJLSPT-UHFFFAOYSA-N 0 0 443.495 2.853 50 0 IFAARN O=C(CCn1c(=O)c2ccccc2nc1N1CCCCC1)N1CCN(c2ccccn2)CC1 ZINC000033308595 557089181 /nfs/dbraw/zinc/08/91/81/557089181.db2.gz AQTIVNXTFYPGGA-UHFFFAOYSA-N 0 0 446.555 2.521 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N3CC(c4nc(-c5ccncc5)no4)C3)[nH]n2)c1 ZINC000049032008 557089707 /nfs/dbraw/zinc/08/97/07/557089707.db2.gz CQGMWCWWRPLPLY-UHFFFAOYSA-N 0 0 432.440 2.779 50 0 IFAARN CCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000033308877 557089801 /nfs/dbraw/zinc/08/98/01/557089801.db2.gz MPIBGVOBEUVWQT-UHFFFAOYSA-N 0 0 428.514 2.739 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1OC ZINC000023386312 557090255 /nfs/dbraw/zinc/09/02/55/557090255.db2.gz VFGLYOZNIUUVQU-INIZCTEOSA-N 0 0 438.571 2.834 50 0 IFAARN COc1cc(C(C)=O)ccc1OCC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000023409198 557090981 /nfs/dbraw/zinc/09/09/81/557090981.db2.gz RNENVOAMNZPCTB-HXUWFJFHSA-N 0 0 430.476 2.605 50 0 IFAARN CCc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)NCc1ccc(OC)c(OC)c1)CC3 ZINC000049003285 557091099 /nfs/dbraw/zinc/09/10/99/557091099.db2.gz VNGFNZYHJFPIJH-UHFFFAOYSA-N 0 0 435.524 2.782 50 0 IFAARN CN(CC(=O)N1CCN(Cc2ccccc2F)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000023441037 557092425 /nfs/dbraw/zinc/09/24/25/557092425.db2.gz WKFWBMGDIGTSTI-UHFFFAOYSA-N 0 0 445.969 2.506 50 0 IFAARN COc1ccc(CNC(=O)c2nnn(Cc3nc(-c4ccc(OC)cc4)oc3C)c2N)cc1 ZINC000049004476 557092833 /nfs/dbraw/zinc/09/28/33/557092833.db2.gz LHAPJIVMSWCFMI-UHFFFAOYSA-N 0 0 448.483 2.819 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1nc2c(Sc3ccc(C)cc3)nccn2c1=O ZINC000033309361 557092970 /nfs/dbraw/zinc/09/29/70/557092970.db2.gz ZVWWNCBZXWUOQI-UHFFFAOYSA-N 0 0 449.492 2.776 50 0 IFAARN CC(C)NC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1 ZINC000033310212 557093558 /nfs/dbraw/zinc/09/35/58/557093558.db2.gz KQNDYAGHASHONP-VQIMIIECSA-N 0 0 431.537 2.756 50 0 IFAARN CNC(=O)NC(=O)[C@@H](OC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000023485296 557094522 /nfs/dbraw/zinc/09/45/22/557094522.db2.gz VSCKWKYVJALGIT-ACJLOTCBSA-N 0 0 447.488 2.626 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@@H]2COc2ccc(C(=O)N3CCOCC3)cc2)cc1F ZINC000033310619 557094708 /nfs/dbraw/zinc/09/47/08/557094708.db2.gz UXRDGLBVJNPEOD-LJQANCHMSA-N 0 0 442.487 2.990 50 0 IFAARN COc1cc(NC(=O)Cn2nc3ccc(-c4ccc(C)c(C)c4)nn3c2=O)cc(OC)c1 ZINC000049399263 557095297 /nfs/dbraw/zinc/09/52/97/557095297.db2.gz GUDJYRGPFBIHJX-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1 ZINC000049406247 557095636 /nfs/dbraw/zinc/09/56/36/557095636.db2.gz UMEQFRAGZXZNIP-UHFFFAOYSA-N 0 0 439.903 2.964 50 0 IFAARN COc1ccc(CCNC(=O)CCN(CC(C)C)C(=O)c2cnc(C)cn2)cc1OC ZINC000004764948 557096105 /nfs/dbraw/zinc/09/61/05/557096105.db2.gz ZIRABKWRMFIFQM-UHFFFAOYSA-N 0 0 428.533 2.649 50 0 IFAARN NC(=O)c1ccc(C(F)(F)F)n(Cc2cc3c(cc2Br)OCCO3)c1=O ZINC000010912049 557097821 /nfs/dbraw/zinc/09/78/21/557097821.db2.gz JPMUOCYMYZAOMB-UHFFFAOYSA-N 0 0 433.180 2.548 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCS2)CC1 ZINC000049403693 557099294 /nfs/dbraw/zinc/09/92/94/557099294.db2.gz JLUYFVNLEZYWGH-UHFFFAOYSA-N 0 0 436.537 2.863 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2c3csnc3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000049403789 557099536 /nfs/dbraw/zinc/09/95/36/557099536.db2.gz AIDCBGMMCBWYPH-UHFFFAOYSA-N 0 0 434.477 2.509 50 0 IFAARN O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1cccc(Cl)c1 ZINC000049404381 557099564 /nfs/dbraw/zinc/09/95/64/557099564.db2.gz ILAJWCMZICAKRH-UHFFFAOYSA-N 0 0 428.905 2.939 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(S[C@H](C)C(=O)Nc2cccnc2)n1C ZINC000072191635 557100834 /nfs/dbraw/zinc/10/08/34/557100834.db2.gz YJYDFILDPRXEJC-CYBMUJFWSA-N 0 0 426.502 2.519 50 0 IFAARN O=C(NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1)c1ccc2ccccc2n1 ZINC000049406019 557101249 /nfs/dbraw/zinc/10/12/49/557101249.db2.gz AYYVZQHPDMUREA-UHFFFAOYSA-N 0 0 444.470 2.989 50 0 IFAARN C[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000023628710 557101529 /nfs/dbraw/zinc/10/15/29/557101529.db2.gz KVQQFTCRXLZBEZ-JHMRYYBSSA-N 0 0 434.562 2.653 50 0 IFAARN Cc1ccc2c(c1)C(=O)N(CCC(=O)N1CCN(Cc3cccc(Cl)c3)CC1)C2=O ZINC000023639691 557101910 /nfs/dbraw/zinc/10/19/10/557101910.db2.gz LWHGYWYVGCIORW-UHFFFAOYSA-N 0 0 425.916 2.979 50 0 IFAARN COc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1OC(F)F ZINC000017701960 557104488 /nfs/dbraw/zinc/10/44/88/557104488.db2.gz WTUSUJLZBMCLGI-UHFFFAOYSA-N 0 0 440.468 2.584 50 0 IFAARN COc1ccc(CC(=O)N2CCC[C@H](Oc3ncc(Br)cn3)C2)cc1OC ZINC000585147308 557104558 /nfs/dbraw/zinc/10/45/58/557104558.db2.gz RQKNCZYVGSDJLZ-HNNXBMFYSA-N 0 0 436.306 2.869 50 0 IFAARN O=C(CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)NCc1ccc(F)cc1 ZINC000049411544 557106952 /nfs/dbraw/zinc/10/69/52/557106952.db2.gz PFVGCSZGCGLVOF-UHFFFAOYSA-N 0 0 444.463 2.776 50 0 IFAARN Cc1nc(-c2noc(-c3ccncc3)n2)cn1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000049411914 557107179 /nfs/dbraw/zinc/10/71/79/557107179.db2.gz REAZKUZDHAXMKK-UHFFFAOYSA-N 0 0 429.484 2.652 50 0 IFAARN Cc1noc(-c2ccnc(-n3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3C)c2)n1 ZINC000049420799 557107201 /nfs/dbraw/zinc/10/72/01/557107201.db2.gz UUYDDHLQWBARMS-UHFFFAOYSA-N 0 0 443.511 2.892 50 0 IFAARN COc1ccc(OC)c(C(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 ZINC000023701305 557107683 /nfs/dbraw/zinc/10/76/83/557107683.db2.gz UDMICNYHFWZHQZ-PSLXWICFSA-N 0 0 446.500 2.567 50 0 IFAARN C[C@@H](NC(=O)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000011358263 557110959 /nfs/dbraw/zinc/11/09/59/557110959.db2.gz WAHFSBHBHORZBE-CYBMUJFWSA-N 0 0 433.511 2.577 50 0 IFAARN COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)cc1F ZINC000023735060 557111619 /nfs/dbraw/zinc/11/16/19/557111619.db2.gz VTROVOOINPWAME-UHFFFAOYSA-N 0 0 434.411 2.947 50 0 IFAARN CCn1nc(C)c(CNC(=O)c2nc(Cc3cc(C(=O)OC)ccc3Cl)no2)c1C ZINC000049548170 557112445 /nfs/dbraw/zinc/11/24/45/557112445.db2.gz VRLHMRHDWCZPMI-UHFFFAOYSA-N 0 0 431.880 2.864 50 0 IFAARN Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCCc2c[nH]c3ccc(F)cc23)c1 ZINC000049549756 557112887 /nfs/dbraw/zinc/11/28/87/557112887.db2.gz JSRGOCHKCXIUNX-UHFFFAOYSA-N 0 0 433.443 2.569 50 0 IFAARN CCOC(=O)Nc1ccc2c(COC(=O)[C@@H](C)NC(=O)c3ccco3)cc(=O)oc2c1 ZINC000049573953 557113543 /nfs/dbraw/zinc/11/35/43/557113543.db2.gz OGHSIDDBOOZGCC-GFCCVEGCSA-N 0 0 428.397 2.816 50 0 IFAARN CC(=O)Nc1ccc2c(COC(=O)C3=NN(c4ccccc4)C(=O)CC3)cc(=O)oc2c1 ZINC000049574079 557113817 /nfs/dbraw/zinc/11/38/17/557113817.db2.gz OTPIWJVKZWMJDV-UHFFFAOYSA-N 0 0 433.420 2.978 50 0 IFAARN COc1ccc(C(=O)COC(=O)CCNC(=O)CCC(=O)c2cccs2)cc1OC ZINC000049574825 557113872 /nfs/dbraw/zinc/11/38/72/557113872.db2.gz SZSWFLXAOMFJCV-UHFFFAOYSA-N 0 0 433.482 2.661 50 0 IFAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(c2ccccc2)CC1 ZINC000023762375 557114877 /nfs/dbraw/zinc/11/48/77/557114877.db2.gz VKJKSLRJTGHIIU-UHFFFAOYSA-N 0 0 433.478 2.571 50 0 IFAARN CCCCN1C(=O)C[C@H](C(=O)N2CCN(C(=O)C(C)C)CC2)[C@H]1c1ccc(OC)cc1 ZINC000049605843 557115182 /nfs/dbraw/zinc/11/51/82/557115182.db2.gz ADFFSZVJACTIJC-RBBKRZOGSA-N 0 0 429.561 2.712 50 0 IFAARN CCn1c(SCC(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccco1 ZINC000023763512 557115377 /nfs/dbraw/zinc/11/53/77/557115377.db2.gz PTJUNBQCRPSWAQ-KGLIPLIRSA-N 0 0 449.533 2.598 50 0 IFAARN C[C@@H](OC(=O)CCNC(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000049611712 557115521 /nfs/dbraw/zinc/11/55/21/557115521.db2.gz JRXFJNAEAZEJBZ-QGZVFWFLSA-N 0 0 439.512 2.792 50 0 IFAARN Cn1cccc1C(=O)NC(=O)COC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000049622805 557115566 /nfs/dbraw/zinc/11/55/66/557115566.db2.gz BPDDOVHNTINGDF-UHFFFAOYSA-N 0 0 447.491 2.530 50 0 IFAARN CC(C)[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc2c(c1)OCCCO2 ZINC000049581021 557116246 /nfs/dbraw/zinc/11/62/46/557116246.db2.gz NKAOOHKEBSWGDZ-HSZRJFAPSA-N 0 0 436.512 2.530 50 0 IFAARN CN1CCN(C(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)CC1 ZINC000033332021 557116661 /nfs/dbraw/zinc/11/66/61/557116661.db2.gz GFXHWUDNSGVRCB-UHFFFAOYSA-N 0 0 431.334 2.571 50 0 IFAARN Cc1ccc(SCCNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000023805296 557117050 /nfs/dbraw/zinc/11/70/50/557117050.db2.gz CFXNHLARVBERSI-NRFANRHFSA-N 0 0 433.480 2.949 50 0 IFAARN CCOc1ccc(CCNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1OCC ZINC000023805716 557117453 /nfs/dbraw/zinc/11/74/53/557117453.db2.gz QUPFCGDAMTZCGO-XMMPIXPASA-N 0 0 439.512 2.610 50 0 IFAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)Nc3cc(OC)cc(OC)c3)C2=O)cc1 ZINC000023806071 557117659 /nfs/dbraw/zinc/11/76/59/557117659.db2.gz DTDBGYQUSAITSW-HSZRJFAPSA-N 0 0 441.484 2.594 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2F)C1 ZINC000049693979 557117931 /nfs/dbraw/zinc/11/79/31/557117931.db2.gz SEJCLMCIYWGNIL-HBIYDYFMSA-N 0 0 436.509 2.694 50 0 IFAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)CC2)cc1 ZINC000049694069 557118028 /nfs/dbraw/zinc/11/80/28/557118028.db2.gz XUNPCJFPIMCFCQ-VAWYXSNFSA-N 0 0 448.545 2.563 50 0 IFAARN COc1ccc(/C=C\C(=O)NCCN2CCN(C(=O)/C=C\c3ccc(OC)cc3)CC2)cc1 ZINC000033333643 557118246 /nfs/dbraw/zinc/11/82/46/557118246.db2.gz DWIQMYDAFYTOQN-PVRNWPCDSA-N 0 0 449.551 2.691 50 0 IFAARN Cc1ccc(-n2nnnc2SCC(=O)NCC2(N3CCOCC3)CCCCC2)c(C)c1 ZINC000023818673 557118373 /nfs/dbraw/zinc/11/83/73/557118373.db2.gz BGNNVPQDWCAWDY-UHFFFAOYSA-N 0 0 444.605 2.523 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000049694080 557118419 /nfs/dbraw/zinc/11/84/19/557118419.db2.gz CFTLKZILZQDYBW-VAWYXSNFSA-N 0 0 446.573 2.541 50 0 IFAARN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)nn1-c1ccccc1F ZINC000023820165 557119248 /nfs/dbraw/zinc/11/92/48/557119248.db2.gz KIROTCXOLJDLBB-UHFFFAOYSA-N 0 0 448.498 2.573 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)nc1 ZINC000018457382 557121371 /nfs/dbraw/zinc/12/13/71/557121371.db2.gz VJASATCFMGKBHU-AWEZNQCLSA-N 0 0 448.570 2.578 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1cccs1 ZINC000000627440 557122358 /nfs/dbraw/zinc/12/23/58/557122358.db2.gz NDOYKVUMWCNHDG-GTVARFKMSA-N 0 0 440.546 2.868 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nc(-c3ccsc3)no2)C1=O ZINC000023881939 557122591 /nfs/dbraw/zinc/12/25/91/557122591.db2.gz BLJVOSPFEPPOPX-NRFANRHFSA-N 0 0 439.497 2.705 50 0 IFAARN NC(=O)c1ccc2c(c1)CCCN2C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000095941676 557122855 /nfs/dbraw/zinc/12/28/55/557122855.db2.gz AWKDIFGGDRLXBA-UHFFFAOYSA-N 0 0 431.286 2.841 50 0 IFAARN COC(=O)C1=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@]2(c2ccc(C)cc2)NN1 ZINC000000637107 557123557 /nfs/dbraw/zinc/12/35/57/557123557.db2.gz DEMYIHZNHIUYLU-YWZLYKJASA-N 0 0 432.263 2.819 50 0 IFAARN Cc1cc(C)n(CCCNC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)n1 ZINC000023246469 557123863 /nfs/dbraw/zinc/12/38/63/557123863.db2.gz IIJBWSZEXGXYEF-UHFFFAOYSA-N 0 0 437.525 2.881 50 0 IFAARN COc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000017815681 557124127 /nfs/dbraw/zinc/12/41/27/557124127.db2.gz RPJLFKLJOKEDIN-UHFFFAOYSA-N 0 0 438.933 2.645 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000024705388 557124373 /nfs/dbraw/zinc/12/43/73/557124373.db2.gz PNIGMSQQYYTVRE-UHFFFAOYSA-N 0 0 440.569 2.708 50 0 IFAARN COc1ccc2cc([C@]3(C)NC(=O)N(CN4CCN(c5ccccn5)CC4)C3=O)ccc2c1 ZINC000023908539 557125225 /nfs/dbraw/zinc/12/52/25/557125225.db2.gz DCWNLZORKRLWSB-VWLOTQADSA-N 0 0 445.523 2.790 50 0 IFAARN COc1cc2[nH]c(=O)n(CCCCCC(=O)NCCc3ccccc3)c(=O)c2cc1OC ZINC000004792748 557126172 /nfs/dbraw/zinc/12/61/72/557126172.db2.gz KCXCXTGDNUCTSO-UHFFFAOYSA-N 0 0 439.512 2.626 50 0 IFAARN O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000023935525 557126162 /nfs/dbraw/zinc/12/61/62/557126162.db2.gz GSZBNVXSJOLMCL-UHFFFAOYSA-N 0 0 437.887 2.980 50 0 IFAARN CCn1c(=O)c2c(nc1SCC(=O)N1CCN(c3ccccc3)CC1)C[C@@H](C)S2 ZINC000004800828 557130216 /nfs/dbraw/zinc/13/02/16/557130216.db2.gz IJMGEDNQQFHRSA-OAHLLOKOSA-N 0 0 430.599 2.741 50 0 IFAARN O=C1c2ccccc2C(=O)N1CCSc1nnc(N2CCOCC2)n1Cc1ccccc1 ZINC000017957041 557130484 /nfs/dbraw/zinc/13/04/84/557130484.db2.gz WMQXSJLLDNKKKV-UHFFFAOYSA-N 0 0 449.536 2.551 50 0 IFAARN O=S(=O)(c1ccc(N2CCN(Cc3nc4ccccc4s3)CC2)nc1)N1CCCC1 ZINC000024001968 557131158 /nfs/dbraw/zinc/13/11/58/557131158.db2.gz BFENNNNTOPPJEL-UHFFFAOYSA-N 0 0 443.598 2.798 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)Cn1ncc(Br)c(Br)c1=O ZINC000024037527 557133292 /nfs/dbraw/zinc/13/32/92/557133292.db2.gz VUVGICOLJAOWHX-VIFPVBQESA-N 0 0 427.096 2.746 50 0 IFAARN COc1ccc2c(COC(=O)[C@H](NS(=O)(=O)c3ccccc3)C(C)C)cc(=O)oc2c1 ZINC000024762414 557135173 /nfs/dbraw/zinc/13/51/73/557135173.db2.gz GQXQMSFUUAKRSG-OAQYLSRUSA-N 0 0 445.493 2.848 50 0 IFAARN Cc1cc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c(C)n1Cc1ccco1 ZINC000024776066 557137745 /nfs/dbraw/zinc/13/77/45/557137745.db2.gz IEZVLJDSXAQBHY-UHFFFAOYSA-N 0 0 431.500 2.684 50 0 IFAARN O=C(CNc1cc2c(cc1Cl)OCCO2)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000010940751 557138325 /nfs/dbraw/zinc/13/83/25/557138325.db2.gz LGXQEHAUDKDIAJ-OAHLLOKOSA-N 0 0 436.917 2.743 50 0 IFAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1CCCN1CCOCC1 ZINC000024148133 557139050 /nfs/dbraw/zinc/13/90/50/557139050.db2.gz TVIJWHZJRLPELF-OAQYLSRUSA-N 0 0 438.455 2.905 50 0 IFAARN CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(I)cc1 ZINC000000705219 557139624 /nfs/dbraw/zinc/13/96/24/557139624.db2.gz UNYRCQYKEAODQZ-OLZOCXBDSA-N 0 0 432.258 2.600 50 0 IFAARN CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(I)cc1 ZINC000000705217 557139735 /nfs/dbraw/zinc/13/97/35/557139735.db2.gz UNYRCQYKEAODQZ-STQMWFEESA-N 0 0 432.258 2.600 50 0 IFAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000011399140 557139936 /nfs/dbraw/zinc/13/99/36/557139936.db2.gz KUMPCRRHLIKYBH-UHFFFAOYSA-N 0 0 435.480 2.720 50 0 IFAARN COc1ccc(-c2noc(CN3CCN(C(=O)COc4ccccc4F)CC3)n2)cc1 ZINC000024209753 557141147 /nfs/dbraw/zinc/14/11/47/557141147.db2.gz QUBBWWRTPNHQCT-UHFFFAOYSA-N 0 0 426.448 2.608 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000011401175 557141947 /nfs/dbraw/zinc/14/19/47/557141947.db2.gz MEPJRPFKXOIHIS-UHFFFAOYSA-N 0 0 443.521 2.544 50 0 IFAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCCCO3)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000023264216 557143723 /nfs/dbraw/zinc/14/37/23/557143723.db2.gz VRVBYLKLBDJHAE-QGZVFWFLSA-N 0 0 447.509 2.666 50 0 IFAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCCCO3)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000023264222 557143752 /nfs/dbraw/zinc/14/37/52/557143752.db2.gz VRVBYLKLBDJHAE-KRWDZBQOSA-N 0 0 447.509 2.666 50 0 IFAARN Cn1c2ccccc2n(CCC(=O)Nc2cc3c(cc2Br)OCCO3)c1=O ZINC000011413132 557144058 /nfs/dbraw/zinc/14/40/58/557144058.db2.gz JJBQJJIDBARCQY-UHFFFAOYSA-N 0 0 432.274 2.903 50 0 IFAARN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000024381364 557146013 /nfs/dbraw/zinc/14/60/13/557146013.db2.gz JJAQARRZSNYEJN-UHFFFAOYSA-N 0 0 442.493 2.768 50 0 IFAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc(C3CC3)nc21 ZINC000024443823 557146977 /nfs/dbraw/zinc/14/69/77/557146977.db2.gz HRWVDQOIZVZHNC-HXUWFJFHSA-N 0 0 447.539 2.501 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000024457837 557147465 /nfs/dbraw/zinc/14/74/65/557147465.db2.gz VYXYHLMHJWBYKI-WOJBJXKFSA-N 0 0 429.524 2.977 50 0 IFAARN O=C(COC(=O)c1ccccc1I)Nc1ccc2c(c1)OCCO2 ZINC000011438006 557147776 /nfs/dbraw/zinc/14/77/76/557147776.db2.gz YQXLQFRXOHWSBQ-UHFFFAOYSA-N 0 0 439.205 2.858 50 0 IFAARN COc1cc(NC(=O)CNC(=O)c2ccccc2Br)ccc1N1CCCC1=O ZINC000011446254 557148682 /nfs/dbraw/zinc/14/86/82/557148682.db2.gz JMUCEVKNUWXAIO-UHFFFAOYSA-N 0 0 446.301 2.953 50 0 IFAARN Nc1nnnn1CC(=O)N(Cc1ccccc1)C1(C(=O)Nc2ccccc2)CCCCC1 ZINC000000718797 557148870 /nfs/dbraw/zinc/14/88/70/557148870.db2.gz SMLYQEAVAVKXKD-UHFFFAOYSA-N 0 0 433.516 2.626 50 0 IFAARN CC(C)CCNC(=O)NC(=O)COC(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000011466997 557151780 /nfs/dbraw/zinc/15/17/80/557151780.db2.gz HPFNONIVSRCVSS-UHFFFAOYSA-N 0 0 443.595 2.790 50 0 IFAARN Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000024605404 557152865 /nfs/dbraw/zinc/15/28/65/557152865.db2.gz DNFVNYPCOWYMNO-IBGZPJMESA-N 0 0 436.961 2.540 50 0 IFAARN O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)NC1c2ccccc2-c2ccccc21 ZINC000011497620 557154116 /nfs/dbraw/zinc/15/41/16/557154116.db2.gz BOMZRKQJZNDEQM-UHFFFAOYSA-N 0 0 425.444 2.864 50 0 IFAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000024609374 557154351 /nfs/dbraw/zinc/15/43/51/557154351.db2.gz DZSWLJBNRHYABT-UHFFFAOYSA-N 0 0 441.597 2.886 50 0 IFAARN COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000024610130 557154468 /nfs/dbraw/zinc/15/44/68/557154468.db2.gz FUXLWIOCEQTMRI-UHFFFAOYSA-N 0 0 434.489 2.793 50 0 IFAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 ZINC000024612262 557155369 /nfs/dbraw/zinc/15/53/69/557155369.db2.gz VVTIPVYINLPMOH-UHFFFAOYSA-N 0 0 430.526 2.947 50 0 IFAARN COc1ccc([C@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2nccn2C)cc1 ZINC000024712208 557160027 /nfs/dbraw/zinc/16/00/27/557160027.db2.gz RUDRFJRGCDPKTD-NRFANRHFSA-N 0 0 440.525 2.623 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)nc1 ZINC000024751093 557162395 /nfs/dbraw/zinc/16/23/95/557162395.db2.gz KPSILKSEBIEHRV-UHFFFAOYSA-N 0 0 431.514 2.591 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCc2nnc3n2-c2ccccc2CC3)cc1OCC ZINC000024751381 557162668 /nfs/dbraw/zinc/16/26/68/557162668.db2.gz AMRROPFAWPJGBR-UHFFFAOYSA-N 0 0 428.514 2.642 50 0 IFAARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)cc1OC ZINC000206798638 557164102 /nfs/dbraw/zinc/16/41/02/557164102.db2.gz FNRWTJXBJSOULF-PKOBYXMFSA-N 0 0 431.460 2.997 50 0 IFAARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)cc1OC ZINC000206798723 557164137 /nfs/dbraw/zinc/16/41/37/557164137.db2.gz FNRWTJXBJSOULF-HKUYNNGSSA-N 0 0 431.460 2.997 50 0 IFAARN COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)NCc1ccc(OC)c(OC)c1 ZINC000206804341 557165080 /nfs/dbraw/zinc/16/50/80/557165080.db2.gz HGIKJZOCAJMUNE-NVXWUHKLSA-N 0 0 432.448 2.747 50 0 IFAARN CCOc1ccc(OCCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000024770899 557165571 /nfs/dbraw/zinc/16/55/71/557165571.db2.gz ADUSHWRTCNZGAS-UHFFFAOYSA-N 0 0 436.505 2.526 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@H](Oc4cc(C)oc(=O)c4)C3)n(C)n2)c1 ZINC000206964458 557168216 /nfs/dbraw/zinc/16/82/16/557168216.db2.gz ZGKAEIIDDWSZHS-INIZCTEOSA-N 0 0 439.468 2.659 50 0 IFAARN Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3Br)CC2)cc(=O)o1 ZINC000206976768 557168580 /nfs/dbraw/zinc/16/85/80/557168580.db2.gz JXZUCZUYQYSEJV-UHFFFAOYSA-N 0 0 428.304 2.943 50 0 IFAARN COc1ccc(CC(=O)N2CCc3c(sc4[nH]c(=O)n(C(C)C)c(=O)c43)C2)cc1C ZINC000023305275 557169792 /nfs/dbraw/zinc/16/97/92/557169792.db2.gz STHOZSONWQRJMK-UHFFFAOYSA-N 0 0 427.526 2.777 50 0 IFAARN CCOC(=O)C1=C(CSc2nnnn2-c2cccc(C)c2)NC(=O)N[C@H]1c1ccco1 ZINC000018476914 557169797 /nfs/dbraw/zinc/16/97/97/557169797.db2.gz LHWYUUDGRSRIRO-KRWDZBQOSA-N 0 0 440.485 2.527 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)c1 ZINC000024834460 557171554 /nfs/dbraw/zinc/17/15/54/557171554.db2.gz DTFGMCSKQBVACR-MRXNPFEDSA-N 0 0 445.541 2.717 50 0 IFAARN CC[C@@H](OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)C(=O)Nc1ccccc1 ZINC000024835005 557171911 /nfs/dbraw/zinc/17/19/11/557171911.db2.gz LWJFPYFQENRSAP-MRXNPFEDSA-N 0 0 445.522 2.872 50 0 IFAARN COC(=O)c1cccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000024864706 557174973 /nfs/dbraw/zinc/17/49/73/557174973.db2.gz BAJJBTQCSAKEJK-UHFFFAOYSA-N 0 0 431.514 2.970 50 0 IFAARN CCCCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2C1=O ZINC000010966188 557175936 /nfs/dbraw/zinc/17/59/36/557175936.db2.gz JFZOOMLSQIVQFY-CQSZACIVSA-N 0 0 428.510 2.977 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)C2CCCCC2)cc1OC ZINC000000780669 557176028 /nfs/dbraw/zinc/17/60/28/557176028.db2.gz BHBAQHYCPNNHBG-UHFFFAOYSA-N 0 0 447.557 2.739 50 0 IFAARN C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)c1nc(N)nc(N(C)C)n1 ZINC000024904210 557177972 /nfs/dbraw/zinc/17/79/72/557177972.db2.gz YLRZTAFTXRJSFF-VXGBXAGGSA-N 0 0 431.545 2.716 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cnn(-c4ccccc4)c3)C2)s1 ZINC000024924869 557179479 /nfs/dbraw/zinc/17/94/79/557179479.db2.gz GBUOAUZRRQNLCM-SFHVURJKSA-N 0 0 444.582 2.959 50 0 IFAARN CCOc1ccc(-c2nnc3n(Cc4ccc(C)cc4)c4c(n23)n(C)c(=O)n(C)c4=O)cc1 ZINC000010970076 557181837 /nfs/dbraw/zinc/18/18/37/557181837.db2.gz MXIZYJNRCCJOQT-UHFFFAOYSA-N 0 0 444.495 2.504 50 0 IFAARN Cn1c2c(c(=O)n(C)c1=O)n(Cc1ccccc1F)c1nnc(-c3ccccc3Cl)n12 ZINC000010968995 557183093 /nfs/dbraw/zinc/18/30/93/557183093.db2.gz JIPAEQHRKZBLAB-UHFFFAOYSA-N 0 0 438.850 2.589 50 0 IFAARN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000024969799 557183796 /nfs/dbraw/zinc/18/37/96/557183796.db2.gz PPSCHJURFPYDKW-UHFFFAOYSA-N 0 0 430.512 2.908 50 0 IFAARN COc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OCC(=O)N1CCOCC1 ZINC000097987479 557183888 /nfs/dbraw/zinc/18/38/88/557183888.db2.gz FNCPXTUUPFNRFK-CPNJWEJPSA-N 0 0 436.464 2.586 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000011557034 557183943 /nfs/dbraw/zinc/18/39/43/557183943.db2.gz KXZLQTHGOUUNBL-UHFFFAOYSA-N 0 0 430.526 2.626 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1 ZINC000009262379 557184692 /nfs/dbraw/zinc/18/46/92/557184692.db2.gz KKVZZSIOGWDQOG-UHFFFAOYSA-N 0 0 432.531 2.501 50 0 IFAARN Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000009263628 557184921 /nfs/dbraw/zinc/18/49/21/557184921.db2.gz DJIZIESLPGRXEK-UHFFFAOYSA-N 0 0 439.497 2.764 50 0 IFAARN COc1ccc(N[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1S(=O)(=O)N(C)C ZINC000024983850 557185819 /nfs/dbraw/zinc/18/58/19/557185819.db2.gz NTQXSUBUTRAWEU-HNNXBMFYSA-N 0 0 448.545 2.711 50 0 IFAARN COc1ccc(-c2noc(CN3CCN(C(=O)c4[nH]c5c(c4C)C(=O)CCC5)CC3)n2)cc1 ZINC000025043573 557190239 /nfs/dbraw/zinc/19/02/39/557190239.db2.gz BKPXMOMBFIZUDU-UHFFFAOYSA-N 0 0 449.511 2.859 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cc(C)ccc3O)n2C)cc1 ZINC000009583045 557190633 /nfs/dbraw/zinc/19/06/33/557190633.db2.gz BUYGCAJDTKRVJO-UHFFFAOYSA-N 0 0 441.513 2.750 50 0 IFAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC(C)(C)c1noc(C(C)(C)C)n1)C2=O ZINC000060211190 557194868 /nfs/dbraw/zinc/19/48/68/557194868.db2.gz QIWAUTYWKSJSSY-MCMMXHMISA-N 0 0 433.553 2.855 50 0 IFAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc2c(c1)CCCC2 ZINC000100872991 557195958 /nfs/dbraw/zinc/19/59/58/557195958.db2.gz KWWQNKJLNALWMH-LNVKXUELSA-N 0 0 445.566 2.617 50 0 IFAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)[C@H]1COc2ccccc2O1 ZINC000100873116 557195964 /nfs/dbraw/zinc/19/59/64/557195964.db2.gz XPFAHBBTQLGGGV-GLEDVZQVSA-N 0 0 427.482 2.575 50 0 IFAARN CCOCCn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000100873311 557196238 /nfs/dbraw/zinc/19/62/38/557196238.db2.gz LBFVJSJKPUEGMC-MRCUWXFGSA-N 0 0 433.555 2.731 50 0 IFAARN CCOCCn1c2ccc(F)cc2s/c1=N\C(=O)CN1C(=O)c2ccccc2C1=O ZINC000100873504 557196453 /nfs/dbraw/zinc/19/64/53/557196453.db2.gz WZSVNBDQQBYAHJ-LNVKXUELSA-N 0 0 427.457 2.602 50 0 IFAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1Cl ZINC000100873585 557196467 /nfs/dbraw/zinc/19/64/67/557196467.db2.gz ASSAKVDDXDADJN-UZYVYHOESA-N 0 0 439.946 2.781 50 0 IFAARN CC(C)(C)c1cc(NC(=O)c2cc(=O)[nH]c3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000025159407 557197654 /nfs/dbraw/zinc/19/76/54/557197654.db2.gz YPIZAWHZBHKPTP-ZDUSSCGKSA-N 0 0 428.514 2.634 50 0 IFAARN COC(=O)C[C@H](c1oc(CN2CCOCC2)cc(=O)c1O)c1c(F)cccc1Cl ZINC000218421805 557198225 /nfs/dbraw/zinc/19/82/25/557198225.db2.gz SNJJCLHVNAUSJF-ZDUSSCGKSA-N 0 0 425.840 2.665 50 0 IFAARN COc1cccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)[C@@H]3CCOC3)CC2)c1 ZINC000096316907 557198722 /nfs/dbraw/zinc/19/87/22/557198722.db2.gz AUJFJZRMTXOFFK-HXUWFJFHSA-N 0 0 436.556 2.947 50 0 IFAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000025189487 557199432 /nfs/dbraw/zinc/19/94/32/557199432.db2.gz PKPIZTJIXJUBJV-UHFFFAOYSA-N 0 0 439.390 2.898 50 0 IFAARN COC(=O)c1cccc2c1CCCN2C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000025193498 557199785 /nfs/dbraw/zinc/19/97/85/557199785.db2.gz ICKWULNJFNAPTN-HNNXBMFYSA-N 0 0 448.566 2.915 50 0 IFAARN COC(=O)c1cccc2c1CCCN2C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000025193491 557199826 /nfs/dbraw/zinc/19/98/26/557199826.db2.gz ICKWULNJFNAPTN-OAHLLOKOSA-N 0 0 448.566 2.915 50 0 IFAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000025284498 557202488 /nfs/dbraw/zinc/20/24/88/557202488.db2.gz YKRZRAIYORFYJQ-OAQYLSRUSA-N 0 0 439.537 2.749 50 0 IFAARN COc1ccc(CCNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1OC ZINC000000794826 557202990 /nfs/dbraw/zinc/20/29/90/557202990.db2.gz KGAXUXYWPCXXJD-UHFFFAOYSA-N 0 0 426.494 2.725 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)CC1 ZINC000013985765 557205450 /nfs/dbraw/zinc/20/54/50/557205450.db2.gz IHBUDNGTZGXKKI-UHFFFAOYSA-N 0 0 444.557 2.904 50 0 IFAARN O=C(CN1CCN(c2ccccn2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000025356435 557205831 /nfs/dbraw/zinc/20/58/31/557205831.db2.gz FTLAQNHFLQRAQN-UHFFFAOYSA-N 0 0 449.477 2.698 50 0 IFAARN CN1C(=O)CO[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000072241261 557206696 /nfs/dbraw/zinc/20/66/96/557206696.db2.gz AFZNOOBAAIHZAW-FCHUYYIVSA-N 0 0 427.932 2.583 50 0 IFAARN CCOc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccs3)c2=O)cc1 ZINC000011613197 557209315 /nfs/dbraw/zinc/20/93/15/557209315.db2.gz BAWUOSMLHTYPBJ-UHFFFAOYSA-N 0 0 436.493 2.705 50 0 IFAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)NC[C@@H]1CCCO1 ZINC000011613404 557209586 /nfs/dbraw/zinc/20/95/86/557209586.db2.gz WIJDXMGDZVVGDX-GJZGRUSLSA-N 0 0 445.932 2.568 50 0 IFAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1 ZINC000025457763 557210799 /nfs/dbraw/zinc/21/07/99/557210799.db2.gz HHEMFGZGADKIOE-IBGZPJMESA-N 0 0 436.541 2.788 50 0 IFAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3ccc(C)cc3C)c(=O)n3c2CCCCC3)no1 ZINC000169763960 557211474 /nfs/dbraw/zinc/21/14/74/557211474.db2.gz MQZXSTNJDMRCSS-UHFFFAOYSA-N 0 0 437.500 2.604 50 0 IFAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3cccc(Cl)c3)c(=O)n3c2CCCCC3)no1 ZINC000169765352 557211748 /nfs/dbraw/zinc/21/17/48/557211748.db2.gz WHDZFZNNJDNPSH-UHFFFAOYSA-N 0 0 443.891 2.641 50 0 IFAARN O=C1C[C@@H](N(O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C(=O)N1c1cccc(Cl)c1 ZINC000101027213 557214210 /nfs/dbraw/zinc/21/42/10/557214210.db2.gz RMEDJTYVJVFEDI-HZPDHXFCSA-N 0 0 448.262 2.649 50 0 IFAARN CCOC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccccc1S(C)(=O)=O ZINC000101041717 557215097 /nfs/dbraw/zinc/21/50/97/557215097.db2.gz NJHDOAOCFJKRPB-MRCUWXFGSA-N 0 0 432.523 2.719 50 0 IFAARN Cc1ccc(-n2cnnc2SCC(=O)NCCc2nnc3ccccn32)cc1Cl ZINC000025575902 557215739 /nfs/dbraw/zinc/21/57/39/557215739.db2.gz PXUZHBQHHNQRKK-UHFFFAOYSA-N 0 0 427.921 2.723 50 0 IFAARN Cc1cc(NC(=O)CSCC(=O)OCC(=O)c2cccc(Br)c2)no1 ZINC000011644824 557219254 /nfs/dbraw/zinc/21/92/54/557219254.db2.gz PNVIDOSNVMWBOZ-UHFFFAOYSA-N 0 0 427.276 2.843 50 0 IFAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000025620238 557219621 /nfs/dbraw/zinc/21/96/21/557219621.db2.gz VHUFBYNDWAZGGT-HXUWFJFHSA-N 0 0 437.504 2.842 50 0 IFAARN C[C@H](OC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000025644611 557220248 /nfs/dbraw/zinc/22/02/48/557220248.db2.gz RBIHVHRTASYOFE-HNNXBMFYSA-N 0 0 427.482 2.601 50 0 IFAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000000802577 557220517 /nfs/dbraw/zinc/22/05/17/557220517.db2.gz KVFAJOMIWUJDIE-HXUWFJFHSA-N 0 0 443.431 2.653 50 0 IFAARN O=c1c2ccccc2sn1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000025664913 557220659 /nfs/dbraw/zinc/22/06/59/557220659.db2.gz ABKZIWMZHNSEPY-UHFFFAOYSA-N 0 0 429.567 2.516 50 0 IFAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccco1 ZINC000000802812 557220849 /nfs/dbraw/zinc/22/08/49/557220849.db2.gz LLVJIRFAZIKHEZ-UHFFFAOYSA-N 0 0 446.456 2.702 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccccc2)cc1OC ZINC000000802808 557220860 /nfs/dbraw/zinc/22/08/60/557220860.db2.gz WLCYWUPJJKVMTO-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccccc2)cc1OC ZINC000000802889 557220937 /nfs/dbraw/zinc/22/09/37/557220937.db2.gz RKXLAYPYZJMMRN-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 ZINC000000802571 557221622 /nfs/dbraw/zinc/22/16/22/557221622.db2.gz TYCPVSDREMVEHV-NRFANRHFSA-N 0 0 439.468 2.904 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2cccc(NC(=O)C3CC3)c2)s1 ZINC000025752483 557224138 /nfs/dbraw/zinc/22/41/38/557224138.db2.gz HXODFEJGFADRFL-SFHVURJKSA-N 0 0 447.582 2.875 50 0 IFAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cc1OC ZINC000000804397 557224286 /nfs/dbraw/zinc/22/42/86/557224286.db2.gz XZQWRUGOVITTQV-SFHVURJKSA-N 0 0 432.542 2.734 50 0 IFAARN CSc1nccc(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)CCC(=O)N(C)C)C3)n1 ZINC000014961922 557227638 /nfs/dbraw/zinc/22/76/38/557227638.db2.gz ASYCXKKYZXHGNJ-CQSZACIVSA-N 0 0 434.949 2.807 50 0 IFAARN O=c1cc(Cn2c3sc4c(c3c(=O)n(-c3ccccc3)c2=O)CCC4)nc2ccccn12 ZINC000002467499 557228085 /nfs/dbraw/zinc/22/80/85/557228085.db2.gz OEVMGUYEFFRJOC-UHFFFAOYSA-N 0 0 442.500 2.759 50 0 IFAARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000025844539 557228384 /nfs/dbraw/zinc/22/83/84/557228384.db2.gz RUNBIULHSMYVJT-UHFFFAOYSA-N 0 0 442.541 2.646 50 0 IFAARN O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC(c1ccccc1)c1ccccc1 ZINC000018023464 557228446 /nfs/dbraw/zinc/22/84/46/557228446.db2.gz HZNTZNHRSDJKLU-PMACEKPBSA-N 0 0 434.492 2.611 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000011659429 557229251 /nfs/dbraw/zinc/22/92/51/557229251.db2.gz BJELOFGFCMCVMH-UHFFFAOYSA-N 0 0 425.894 2.614 50 0 IFAARN O=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NC(=O)c1ccccc1 ZINC000011518087 557229737 /nfs/dbraw/zinc/22/97/37/557229737.db2.gz SNWFXKCJKPZDJK-UHFFFAOYSA-N 0 0 432.432 2.709 50 0 IFAARN O=C(CSc1ncnc2ccccc21)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000025929557 557230765 /nfs/dbraw/zinc/23/07/65/557230765.db2.gz FTGBNKQQWXSGHC-AWEZNQCLSA-N 0 0 433.580 2.999 50 0 IFAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000018036685 557231030 /nfs/dbraw/zinc/23/10/30/557231030.db2.gz SRJAMQMGSIXOIS-UHFFFAOYSA-N 0 0 435.465 2.611 50 0 IFAARN Cc1cc(=O)oc(C)c1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000026013824 557232294 /nfs/dbraw/zinc/23/22/94/557232294.db2.gz QXAVPOPLMAOUKI-UHFFFAOYSA-N 0 0 436.346 2.652 50 0 IFAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)c4ccccc4F)nn32)cc1OC ZINC000011693935 557232839 /nfs/dbraw/zinc/23/28/39/557232839.db2.gz JALSHGQTOXILJX-UHFFFAOYSA-N 0 0 437.431 2.756 50 0 IFAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)C4CCCCC4)nn32)cc1OC ZINC000011693932 557232961 /nfs/dbraw/zinc/23/29/61/557232961.db2.gz BEZCIGNXSRPZKE-UHFFFAOYSA-N 0 0 425.489 2.884 50 0 IFAARN CCCCn1nc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c2ccccc2c1=O ZINC000026061226 557233352 /nfs/dbraw/zinc/23/33/52/557233352.db2.gz ONJQRNAPEUCWGH-UHFFFAOYSA-N 0 0 440.525 2.890 50 0 IFAARN CC(C)[C@@H](CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 ZINC000026302124 557238761 /nfs/dbraw/zinc/23/87/61/557238761.db2.gz ILACQYVNNXBJBD-LJQANCHMSA-N 0 0 428.499 2.894 50 0 IFAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000023321750 557238926 /nfs/dbraw/zinc/23/89/26/557238926.db2.gz QIIPNCIICYTTMW-JXMROGBWSA-N 0 0 434.544 2.764 50 0 IFAARN CN(CCOc1cccc(Cl)c1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000026351674 557239454 /nfs/dbraw/zinc/23/94/54/557239454.db2.gz BVAODFRSMCHCPQ-OAQYLSRUSA-N 0 0 433.867 2.784 50 0 IFAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccc(OC)nc3)c2)cc1 ZINC000011005429 557240114 /nfs/dbraw/zinc/24/01/14/557240114.db2.gz BMEONVSMMPUOLU-UHFFFAOYSA-N 0 0 441.509 2.854 50 0 IFAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100091008 557240481 /nfs/dbraw/zinc/24/04/81/557240481.db2.gz ALKCFVQKXGUQPN-OTWHNJEPSA-N 0 0 442.313 2.993 50 0 IFAARN COC(=O)C1CCN(C(=O)CN2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000026457428 557241331 /nfs/dbraw/zinc/24/13/31/557241331.db2.gz WAMDDZKBJKUJRD-QGZVFWFLSA-N 0 0 442.343 2.808 50 0 IFAARN CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O ZINC000026496324 557242630 /nfs/dbraw/zinc/24/26/30/557242630.db2.gz XTTSNGKBDZLTCX-UHFFFAOYSA-N 0 0 426.267 2.785 50 0 IFAARN COc1cccc([C@@]2(C)NC(=O)N(NC(=S)NCCSc3ccccc3)C2=O)c1 ZINC000018144176 557243245 /nfs/dbraw/zinc/24/32/45/557243245.db2.gz CWAQCGAYPOLEIX-HXUWFJFHSA-N 0 0 430.555 2.634 50 0 IFAARN CCOC(=O)C1=C(COC(=O)CCC(=O)c2cccs2)NC(=O)N[C@@H]1c1ccco1 ZINC000018171641 557245311 /nfs/dbraw/zinc/24/53/11/557245311.db2.gz WATLQYMLKLUOGA-GOSISDBHSA-N 0 0 432.454 2.719 50 0 IFAARN CCc1ccc(-n2c(=O)c3c[nH]nc3nc2SCc2cc(=O)n3ccccc3n2)cc1 ZINC000018191078 557246339 /nfs/dbraw/zinc/24/63/39/557246339.db2.gz SNZRFPWZVDIQOK-UHFFFAOYSA-N 0 0 430.493 2.971 50 0 IFAARN CC(C)[C@@H](C)NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000026677939 557246458 /nfs/dbraw/zinc/24/64/58/557246458.db2.gz AGQCPHFSMUJBSE-GOSISDBHSA-N 0 0 438.590 2.888 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCn1ccnc1 ZINC000604403965 557246575 /nfs/dbraw/zinc/24/65/75/557246575.db2.gz GIFJABRHDMBCKY-JOCHJYFZSA-N 0 0 429.480 2.595 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1C(N)=O ZINC000026761643 557247402 /nfs/dbraw/zinc/24/74/02/557247402.db2.gz QITXNRIGQZCDLO-OAHLLOKOSA-N 0 0 444.582 2.771 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccc(F)cc1 ZINC000026741197 557247500 /nfs/dbraw/zinc/24/75/00/557247500.db2.gz XHUSYDVOGXLXIE-SFHVURJKSA-N 0 0 443.529 2.768 50 0 IFAARN CN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)C[C@H]1COc2ccccc2O1 ZINC000026922413 557251287 /nfs/dbraw/zinc/25/12/87/557251287.db2.gz MDKACBBXBAIAGX-INIZCTEOSA-N 0 0 428.489 2.879 50 0 IFAARN COC(=O)C[C@@H](c1c[nH]nc1-c1ccccc1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604419320 557251544 /nfs/dbraw/zinc/25/15/44/557251544.db2.gz RUJLIOGFDPBLRN-SFHVURJKSA-N 0 0 447.495 2.913 50 0 IFAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000604419646 557251904 /nfs/dbraw/zinc/25/19/04/557251904.db2.gz OFFFOCNZAWTYHK-UIIQVKDUSA-N 0 0 445.519 2.955 50 0 IFAARN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000026980111 557253153 /nfs/dbraw/zinc/25/31/53/557253153.db2.gz YPMIFEKPMJDDCO-ZDUSSCGKSA-N 0 0 441.347 2.865 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390830781 557253750 /nfs/dbraw/zinc/25/37/50/557253750.db2.gz NJHVFQQIAXOACG-SFHVURJKSA-N 0 0 425.576 2.631 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000000813805 557254883 /nfs/dbraw/zinc/25/48/83/557254883.db2.gz PVHWKTNQXNTHFK-UHFFFAOYSA-N 0 0 437.905 2.572 50 0 IFAARN CCOC(=O)C1=C(CSc2nnnn2-c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC000018278530 557255027 /nfs/dbraw/zinc/25/50/27/557255027.db2.gz VVJWUSZHQJMKBV-QGZVFWFLSA-N 0 0 440.485 2.527 50 0 IFAARN COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n3n2)cc1 ZINC000027022175 557255575 /nfs/dbraw/zinc/25/55/75/557255575.db2.gz QLCYDYQZPZZDSA-KZBAPLJJSA-N 0 0 449.488 2.812 50 0 IFAARN COc1cc(/C=c2\sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)ccc1OC(C)=O ZINC000027023150 557255595 /nfs/dbraw/zinc/25/55/95/557255595.db2.gz SYQUADMTAOONMK-RQYXHQRCSA-N 0 0 437.452 2.942 50 0 IFAARN Cc1cc(C(=O)COC(=O)CCc2ccc3c(c2)OCO3)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000027023862 557255924 /nfs/dbraw/zinc/25/59/24/557255924.db2.gz IQEVFMXPBWDXJT-QGZVFWFLSA-N 0 0 447.509 2.552 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1C ZINC000027142053 557257847 /nfs/dbraw/zinc/25/78/47/557257847.db2.gz HDRGSUOPWIRTOO-UHFFFAOYSA-N 0 0 427.457 2.638 50 0 IFAARN CC(C)(CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCOCC1 ZINC000027248730 557259462 /nfs/dbraw/zinc/25/94/62/557259462.db2.gz OAQJRAVTRLXTIA-UHFFFAOYSA-N 0 0 441.557 2.846 50 0 IFAARN CCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1=O ZINC000027379266 557261444 /nfs/dbraw/zinc/26/14/44/557261444.db2.gz ULJMLUPIRFQBNI-LJQANCHMSA-N 0 0 449.507 2.708 50 0 IFAARN CCNC(=S)N(CCc1ccc(OC)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000100577971 557265288 /nfs/dbraw/zinc/26/52/88/557265288.db2.gz VIFBAFNXCRRFSW-LJQANCHMSA-N 0 0 429.517 2.905 50 0 IFAARN NS(=O)(=O)c1ccc(NC=C2c3ccccc3C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000101279573 557266638 /nfs/dbraw/zinc/26/66/38/557266638.db2.gz ZBNAPTLRTBIWDU-STZFKDTASA-N 0 0 433.489 2.970 50 0 IFAARN O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCCN1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O ZINC000100630921 557266938 /nfs/dbraw/zinc/26/69/38/557266938.db2.gz FEERXLCCEREQFW-SYMSYNOKSA-N 0 0 425.312 2.802 50 0 IFAARN CCOc1ccc(-c2nc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)cs2)cc1OC ZINC000027589884 557267255 /nfs/dbraw/zinc/26/72/55/557267255.db2.gz FFUBEQOLWQINPW-UHFFFAOYSA-N 0 0 449.554 2.678 50 0 IFAARN CC1=C(C(=O)OCCO[N+](=O)[O-])[C@H](c2ccccc2C(F)(F)F)C([N+](=O)[O-])=C(C)N1 ZINC000100644663 557267613 /nfs/dbraw/zinc/26/76/13/557267613.db2.gz UKKGXITYIIMGLF-AWEZNQCLSA-N 0 0 431.323 2.926 50 0 IFAARN O=C(CN1CCN(c2cnccn2)CC1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000027635028 557267961 /nfs/dbraw/zinc/26/79/61/557267961.db2.gz KUIQNMIZYHXLGX-NRFANRHFSA-N 0 0 425.583 2.896 50 0 IFAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1 ZINC000027662638 557269160 /nfs/dbraw/zinc/26/91/60/557269160.db2.gz NFKOQEORYZONSB-UHFFFAOYSA-N 0 0 427.482 2.923 50 0 IFAARN CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)c1 ZINC000027663134 557269498 /nfs/dbraw/zinc/26/94/98/557269498.db2.gz SGBCQGZUEPXYGX-CQSZACIVSA-N 0 0 448.566 2.805 50 0 IFAARN O=C1N[C@H](c2ccc3c(c2)OCO3)C(=C(O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000027664419 557270253 /nfs/dbraw/zinc/27/02/53/557270253.db2.gz DDDPLLOHRYKKSO-RKVPGOIHSA-N 0 0 426.322 2.658 50 0 IFAARN O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)N1CCC(c2ccccc2)=N1 ZINC000014022859 557284728 /nfs/dbraw/zinc/28/47/28/557284728.db2.gz RUNSAFRCYRHKKL-UHFFFAOYSA-N 0 0 434.496 2.702 50 0 IFAARN COc1cc([C@@H]2NC(=O)NC3=C2C(=O)N(CCCc2ccccc2)C3)cc(OC)c1OC ZINC000011665671 557291406 /nfs/dbraw/zinc/29/14/06/557291406.db2.gz ASMCUSJPMRUNOQ-NRFANRHFSA-N 0 0 437.496 2.795 50 0 IFAARN COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000101628146 557292904 /nfs/dbraw/zinc/29/29/04/557292904.db2.gz NAJIFUXAVRXACK-ROUUACIJSA-N 0 0 434.558 2.935 50 0 IFAARN CON(C)S(=O)(=O)c1cc(NC(=O)CNC(=O)CC2CCCCC2)ccc1Cl ZINC000072306403 557293420 /nfs/dbraw/zinc/29/34/20/557293420.db2.gz XYARJBMUMFVPQP-UHFFFAOYSA-N 0 0 431.942 2.547 50 0 IFAARN COc1ccc(C(=O)N2CCN(CCNc3cc(=O)oc4ccccc34)CC2)cc1OC ZINC000101661700 557293594 /nfs/dbraw/zinc/29/35/94/557293594.db2.gz SNVDGIGYPMBAAC-UHFFFAOYSA-N 0 0 437.496 2.680 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCN(CCNc3cc(=O)oc4ccccc34)CC2)c1 ZINC000101669265 557293859 /nfs/dbraw/zinc/29/38/59/557293859.db2.gz ROMDZIPVFJIEFK-UHFFFAOYSA-N 0 0 437.496 2.680 50 0 IFAARN COc1ccc([C@@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101751339 557296768 /nfs/dbraw/zinc/29/67/68/557296768.db2.gz FITTZZZYRAYFKR-KRWDZBQOSA-N 0 0 425.485 2.951 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2ncn3nc(-c4ccc(Cl)cc4)cc3c2=O)c1 ZINC000011666400 557298116 /nfs/dbraw/zinc/29/81/16/557298116.db2.gz IKBGJNVYDWRABX-UHFFFAOYSA-N 0 0 439.859 2.867 50 0 IFAARN COc1ccc(CNc2nn3c(nc(CN4CCc5ccccc5C4)cc3=O)[nH]2)cc1OC ZINC000101796731 557298621 /nfs/dbraw/zinc/29/86/21/557298621.db2.gz PGCDOJPIEWFXHU-UHFFFAOYSA-N 0 0 446.511 2.605 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc1 ZINC000011666411 557298763 /nfs/dbraw/zinc/29/87/63/557298763.db2.gz BASRUDYNNFNBPX-UHFFFAOYSA-N 0 0 431.452 2.600 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2ncn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1 ZINC000011666415 557299460 /nfs/dbraw/zinc/29/94/60/557299460.db2.gz BBJMHCLDXFVFRR-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)NCc1cccs1 ZINC000014093680 557302416 /nfs/dbraw/zinc/30/24/16/557302416.db2.gz UTQFHKQIGSCHIC-UHFFFAOYSA-N 0 0 448.397 2.678 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccc2c(c1)OCO2 ZINC000014095894 557302706 /nfs/dbraw/zinc/30/27/06/557302706.db2.gz IGNXETBTWOBDAJ-OWJWWREXSA-N 0 0 435.480 2.766 50 0 IFAARN Cc1nn(C[C@@H](C)C(=O)Nn2c(=O)c3ccccc3[nH]c2=S)c(C)c1Br ZINC000102004237 557311943 /nfs/dbraw/zinc/31/19/43/557311943.db2.gz MWXPKEYOSCSCGP-SECBINFHSA-N 0 0 436.335 2.667 50 0 IFAARN COc1cc(OC)cc(C(=O)Nc2ccccc2S(=O)(=O)N2CCC[C@@H]2OC(C)=O)c1 ZINC000012364513 557313624 /nfs/dbraw/zinc/31/36/24/557313624.db2.gz XQUDPNNCEUPWIL-FQEVSTJZSA-N 0 0 448.497 2.630 50 0 biogenic,in-vitro IFAARN COc1cc(OC)cc(C(=O)Nc2ccccc2S(=O)(=O)N2CCC[C@H]2OC(C)=O)c1 ZINC000012364511 557313667 /nfs/dbraw/zinc/31/36/67/557313667.db2.gz XQUDPNNCEUPWIL-HXUWFJFHSA-N 0 0 448.497 2.630 50 0 biogenic,in-vitro IFAARN O=C(/C=C/c1cc2c(c(Cl)c1)OCO2)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000014185110 557314250 /nfs/dbraw/zinc/31/42/50/557314250.db2.gz CNTJYMBEDYLFTG-AATRIKPKSA-N 0 0 433.936 2.629 50 0 IFAARN CSC[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102180234 557314296 /nfs/dbraw/zinc/31/42/96/557314296.db2.gz DSWVHOHJQDXEKL-SOLBZPMBSA-N 0 0 432.542 2.692 50 0 IFAARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC(c1ccccc1)c1ccccc1 ZINC000102209052 557315520 /nfs/dbraw/zinc/31/55/20/557315520.db2.gz HZNTZNHRSDJKLU-BGYRXZFFSA-N 0 0 434.492 2.611 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@H]1C ZINC000102390628 557320612 /nfs/dbraw/zinc/32/06/12/557320612.db2.gz RXRYRPFYOSLBSI-FUHIMQAGSA-N 0 0 436.574 2.959 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@H]1C ZINC000102390632 557320684 /nfs/dbraw/zinc/32/06/84/557320684.db2.gz RXRYRPFYOSLBSI-UWVAXJGDSA-N 0 0 436.574 2.959 50 0 IFAARN Cc1cc(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)ccc1Br ZINC000023990048 557320735 /nfs/dbraw/zinc/32/07/35/557320735.db2.gz SDGVNAZFFJCCNQ-QGZVFWFLSA-N 0 0 439.375 2.937 50 0 IFAARN Cc1ccc(NC(=O)c2nnc(COCC(=O)NCc3ccc4c(c3)OCO4)s2)cc1 ZINC000032987440 557321859 /nfs/dbraw/zinc/32/18/59/557321859.db2.gz CPLLDCKDGVRXRN-UHFFFAOYSA-N 0 0 440.481 2.661 50 0 IFAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000024454620 557327000 /nfs/dbraw/zinc/32/70/00/557327000.db2.gz YQRDDXRDKVPBFK-UHFFFAOYSA-N 0 0 440.525 2.682 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000014233696 557327164 /nfs/dbraw/zinc/32/71/64/557327164.db2.gz DTJMUDGQGRHWJA-SCUMNGBJSA-N 0 0 448.585 2.847 50 0 IFAARN CCCCCCN(CCN1CCOCC1)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000072308253 557327746 /nfs/dbraw/zinc/32/77/46/557327746.db2.gz DRCQOBQUJVSUMQ-UHFFFAOYSA-N 0 0 446.636 2.881 50 0 IFAARN O=c1/c(=C/c2ccccc2Br)sc2nc([C@@H]3COc4ccccc4O3)nn12 ZINC000033162058 557327887 /nfs/dbraw/zinc/32/78/87/557327887.db2.gz QBAIKAJRRZLNOM-HVVQPJKBSA-N 0 0 442.294 2.974 50 0 IFAARN CCCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000033263555 557330139 /nfs/dbraw/zinc/33/01/39/557330139.db2.gz URUCOCLPRNEDCR-LBPRGKRZSA-N 0 0 435.937 2.822 50 0 IFAARN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)C1 ZINC000033263284 557330151 /nfs/dbraw/zinc/33/01/51/557330151.db2.gz INJVBYRIFGKJOY-OAHLLOKOSA-N 0 0 429.546 2.867 50 0 IFAARN CN(C)c1nc2ncn3c(SCC(=O)NCc4ccccc4Cl)nnc3c2s1 ZINC000033300870 557331073 /nfs/dbraw/zinc/33/10/73/557331073.db2.gz PQJPGQSKZSDBFD-UHFFFAOYSA-N 0 0 433.950 2.862 50 0 IFAARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1/C=C\c1ccccc1OC ZINC000033405033 557334953 /nfs/dbraw/zinc/33/49/53/557334953.db2.gz FHPRJTZZNRLDKU-KHPPLWFESA-N 0 0 445.512 2.855 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 ZINC000033691610 557347460 /nfs/dbraw/zinc/34/74/60/557347460.db2.gz GPBXAWRBIODKCE-UHFFFAOYSA-N 0 0 428.510 2.697 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnnn1Cc1ccco1)CCCC2 ZINC000011675303 557348828 /nfs/dbraw/zinc/34/88/28/557348828.db2.gz GHPROFUZDANFGL-UHFFFAOYSA-N 0 0 433.515 2.772 50 0 IFAARN COc1ccccc1[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCCC1 ZINC000013561735 557352416 /nfs/dbraw/zinc/35/24/16/557352416.db2.gz IMQNQHMKGXPBNT-HXUWFJFHSA-N 0 0 427.530 2.607 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc4nccc(C(C)(C)C)n4n3)CC2)c(C)c1 ZINC000023433123 557355714 /nfs/dbraw/zinc/35/57/14/557355714.db2.gz AFWZGVJEYXIOPC-UHFFFAOYSA-N 0 0 442.589 2.858 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000023549067 557365840 /nfs/dbraw/zinc/36/58/40/557365840.db2.gz UBEVBERXVNXWEQ-UHFFFAOYSA-N 0 0 435.977 2.613 50 0 IFAARN Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c(C)n1CC(F)(F)F ZINC000102777565 557382363 /nfs/dbraw/zinc/38/23/63/557382363.db2.gz FANJOBLIHUQNIK-SOUVJXGZSA-N 0 0 440.418 2.733 50 0 IFAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000102798501 557389077 /nfs/dbraw/zinc/38/90/77/557389077.db2.gz WYSKDSWBLMZQJN-VXKWHMMOSA-N 0 0 429.520 2.817 50 0 IFAARN CCSc1nnc(NC(=O)CCn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)s1 ZINC000011693267 557390921 /nfs/dbraw/zinc/39/09/21/557390921.db2.gz AGPSMRXOBGJUCV-UHFFFAOYSA-N 0 0 445.505 2.714 50 0 IFAARN COc1cccc(-c2nnc3ccc(OCCNC(=O)c4cccc(OC)c4OC)nn32)c1 ZINC000011693896 557391969 /nfs/dbraw/zinc/39/19/69/557391969.db2.gz SWSDSASXLNBSDE-UHFFFAOYSA-N 0 0 449.467 2.626 50 0 IFAARN COc1ccc(C(=O)NCCOc2ccc3nnc(-c4ccc(OC)c(OC)c4)n3n2)cc1 ZINC000011693934 557391980 /nfs/dbraw/zinc/39/19/80/557391980.db2.gz NUUDUQMERAYXRO-UHFFFAOYSA-N 0 0 449.467 2.626 50 0 IFAARN O=S(=O)(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccccc1Cl ZINC000011694541 557392612 /nfs/dbraw/zinc/39/26/12/557392612.db2.gz SZYAYKIYAOXORU-UHFFFAOYSA-N 0 0 429.889 2.802 50 0 IFAARN COc1ccc(NC(=O)CN2CCN(c3nccn3-c3ccccc3F)CC2)cc1OC ZINC000011695778 557393918 /nfs/dbraw/zinc/39/39/18/557393918.db2.gz KOZFGTHTTQSDLR-UHFFFAOYSA-N 0 0 439.491 2.789 50 0 IFAARN COc1ccc(NC(=O)CN2CCN(c3nccn3-c3ccccc3F)CC2)c(OC)c1 ZINC000011695777 557393941 /nfs/dbraw/zinc/39/39/41/557393941.db2.gz VYUGHQXNHPNSPW-UHFFFAOYSA-N 0 0 439.491 2.789 50 0 IFAARN COc1ccc(CN(CC(=O)NCCc2ccccc2)S(=O)(=O)c2cccnc2)cc1 ZINC000011696069 557394136 /nfs/dbraw/zinc/39/41/36/557394136.db2.gz WXGXNRKGRKKVQH-UHFFFAOYSA-N 0 0 439.537 2.640 50 0 IFAARN O=C1C[C@H](N2CCN(Cc3cccs3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000102835440 557394312 /nfs/dbraw/zinc/39/43/12/557394312.db2.gz YELOASIDZOMSTC-KRWDZBQOSA-N 0 0 434.359 2.960 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1 ZINC000011697140 557394780 /nfs/dbraw/zinc/39/47/80/557394780.db2.gz RAUNWUHKVVAXKQ-UHFFFAOYSA-N 0 0 428.518 2.631 50 0 IFAARN COc1cc(-c2nnc(COC(=O)CCc3c(C)nn(C)c3C)o2)cc(OC)c1OC ZINC000024108316 557396421 /nfs/dbraw/zinc/39/64/21/557396421.db2.gz UVHSTAAVJIDOEJ-UHFFFAOYSA-N 0 0 430.461 2.789 50 0 IFAARN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1S[C@@H](C)C(=O)NC(C)(C)C ZINC000013956551 557398517 /nfs/dbraw/zinc/39/85/17/557398517.db2.gz NHVARSREJJQXHV-AWEZNQCLSA-N 0 0 433.578 2.561 50 0 IFAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3c(F)cccc3F)n2C)c1 ZINC000013956710 557398842 /nfs/dbraw/zinc/39/88/42/557398842.db2.gz MIUDHZFISYRQSV-UHFFFAOYSA-N 0 0 447.467 2.763 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)[C@H](CC)n2c3ccccc3c3cn[nH]c(=O)c32)CC1 ZINC000004918420 557404411 /nfs/dbraw/zinc/40/44/11/557404411.db2.gz ZUZBIXGZNMTXKR-KRWDZBQOSA-N 0 0 425.489 2.566 50 0 IFAARN COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)c1 ZINC000102869311 557405114 /nfs/dbraw/zinc/40/51/14/557405114.db2.gz GNESOCQLAHPJRI-KBPBESRZSA-N 0 0 429.498 2.941 50 0 IFAARN CC(C)C[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N1C(=O)c2ccccc2C1=O ZINC000135658829 557409599 /nfs/dbraw/zinc/40/95/99/557409599.db2.gz HPTBZTZXWZMVHL-FVJLSDCUSA-N 0 0 433.508 2.505 50 0 IFAARN CN(C(=O)c1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1)c1ccccn1 ZINC000408520978 557413305 /nfs/dbraw/zinc/41/33/05/557413305.db2.gz DIHAKSPTYMTVMO-UHFFFAOYSA-N 0 0 425.514 2.650 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nn1cnc2scc(-c3ccccc3)c2c1=O ZINC000102956035 557413594 /nfs/dbraw/zinc/41/35/94/557413594.db2.gz HQJKWQCXDQZDPH-HZPDHXFCSA-N 0 0 448.504 2.536 50 0 IFAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000103027763 557416650 /nfs/dbraw/zinc/41/66/50/557416650.db2.gz FHWPONPEAPXXHF-KBPBESRZSA-N 0 0 433.390 2.566 50 0 IFAARN C[C@@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000103072583 557418500 /nfs/dbraw/zinc/41/85/00/557418500.db2.gz BBSMPINLNMSYNB-WCFLWFBJSA-N 0 0 444.841 2.622 50 0 IFAARN C[C@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000014224885 557433490 /nfs/dbraw/zinc/43/34/90/557433490.db2.gz LWWOEPFPCCCPQZ-AWEZNQCLSA-N 0 0 428.514 2.569 50 0 IFAARN CCNC(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccccc4OC)n32)CC1 ZINC000103329073 557433853 /nfs/dbraw/zinc/43/38/53/557433853.db2.gz MQINDYWBSKCJTA-UHFFFAOYSA-N 0 0 431.500 2.805 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)NC(=O)COC(=O)c2ccccc2SCC(=O)N(C)C)[C@H]1C ZINC000103439580 557437234 /nfs/dbraw/zinc/43/72/34/557437234.db2.gz GIRBUONXRWSUBU-HLLBOEOZSA-N 0 0 449.573 2.674 50 0 IFAARN COc1ccc2cnn(CC(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)c(=O)c2c1OC ZINC000223224050 557448021 /nfs/dbraw/zinc/44/80/21/557448021.db2.gz AIUNFFBNWYAMPV-HXUWFJFHSA-N 0 0 435.484 2.804 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccccc2I)c1 ZINC000014907172 557455604 /nfs/dbraw/zinc/45/56/04/557455604.db2.gz LNVIQNBPQVOCOA-UHFFFAOYSA-N 0 0 430.267 2.794 50 0 IFAARN COc1ccc([C@@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1OC ZINC000101329484 557456506 /nfs/dbraw/zinc/45/65/06/557456506.db2.gz QDGMPZMXICCCNO-NHCICSSKSA-N 0 0 438.480 2.931 50 0 IFAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)NCc1ccc(F)cc1F ZINC000051316739 557465014 /nfs/dbraw/zinc/46/50/14/557465014.db2.gz SSQXUSKKCGCADJ-UHFFFAOYSA-N 0 0 427.436 2.796 50 0 IFAARN O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ncccn3)C[C@H]12 ZINC000104917048 557465101 /nfs/dbraw/zinc/46/51/01/557465101.db2.gz XYYCUXZNXHZJQG-PKOBYXMFSA-N 0 0 431.462 2.889 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000104939464 557466016 /nfs/dbraw/zinc/46/60/16/557466016.db2.gz PAPJJDQASXCGHV-OXQOHEQNSA-N 0 0 447.507 2.614 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)N[C@H](C)c4ccc(F)cc4)ncn3n2)cc1 ZINC000051316950 557466073 /nfs/dbraw/zinc/46/60/73/557466073.db2.gz HMJSPYNDPPCXSO-OAHLLOKOSA-N 0 0 435.459 2.973 50 0 IFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000105117274 557476184 /nfs/dbraw/zinc/47/61/84/557476184.db2.gz JDNMJGGAOGRPRJ-VGOFRKELSA-N 0 0 438.553 2.826 50 0 IFAARN CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000106020906 557512454 /nfs/dbraw/zinc/51/24/54/557512454.db2.gz RPEYWJZYNISSLF-FBAVSBLXSA-N 0 0 425.485 2.504 50 0 IFAARN CSc1nn(CC(=O)NC(C)(C)C)c(N)c1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000046915390 557514289 /nfs/dbraw/zinc/51/42/89/557514289.db2.gz CNMKYCBQOUQFIO-UHFFFAOYSA-N 0 0 430.490 2.548 50 0 IFAARN Cc1nn(C(F)F)cc1S(=O)(=O)NCCCn1nc(C(F)(F)F)c2c1CCC2 ZINC000036614895 557517309 /nfs/dbraw/zinc/51/73/09/557517309.db2.gz LQWKTXNABOKKGH-UHFFFAOYSA-N 0 0 427.399 2.659 50 0 IFAARN Cc1cc(C(F)(F)F)nn1C[C@@H](C)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000036614522 557517385 /nfs/dbraw/zinc/51/73/85/557517385.db2.gz YDYOTCQUYBVYIM-ZDUSSCGKSA-N 0 0 444.479 2.952 50 0 IFAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012030660 557523921 /nfs/dbraw/zinc/52/39/21/557523921.db2.gz NVLMTXRGJFJDIM-INIZCTEOSA-N 0 0 447.456 2.919 50 0 IFAARN O=C(Cc1ccc(F)cc1)NCCn1ncc2c1ncn(Cc1cccc(Cl)c1)c2=O ZINC000012071464 557526558 /nfs/dbraw/zinc/52/65/58/557526558.db2.gz GUNZAHXXQHDAEH-UHFFFAOYSA-N 0 0 439.878 2.793 50 0 IFAARN COc1ccc(CCC(=O)NCCn2ncc3c2ncn(Cc2ccccc2F)c3=O)cc1 ZINC000012071644 557526847 /nfs/dbraw/zinc/52/68/47/557526847.db2.gz HTTOJBSYSKDRQC-UHFFFAOYSA-N 0 0 449.486 2.538 50 0 IFAARN COc1cc2[nH]c(=O)n(CCCCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2cc1OC ZINC000106280848 557528063 /nfs/dbraw/zinc/52/80/63/557528063.db2.gz HTDYUCMOKMOXQE-YQQAZPJKSA-N 0 0 431.533 2.818 50 0 IFAARN CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)cc1 ZINC000044974252 557542252 /nfs/dbraw/zinc/54/22/52/557542252.db2.gz PXXWJSUXPLRWAM-GOSISDBHSA-N 0 0 447.491 2.624 50 0 IFAARN COc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000045541048 557544181 /nfs/dbraw/zinc/54/41/81/557544181.db2.gz YIJCWIXJQFJZMD-LJQANCHMSA-N 0 0 448.523 2.771 50 0 IFAARN CC[C@@H](C)NC(=O)CN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2C(C)(C)C1=O ZINC000045913188 557547323 /nfs/dbraw/zinc/54/73/23/557547323.db2.gz TWJJALVVIKKZSP-MRXNPFEDSA-N 0 0 435.590 2.646 50 0 IFAARN Nc1nc(SCC(=O)N2CCCCC2)ncc1S(=O)(=O)c1ccc(Cl)s1 ZINC000045925137 557549777 /nfs/dbraw/zinc/54/97/77/557549777.db2.gz WSCAAGQTCRPKBN-UHFFFAOYSA-N 0 0 432.980 2.711 50 0 IFAARN CSc1cccc(NC(=O)Cn2cnc3nc(N4CCSCC4)sc3c2=O)c1 ZINC000045970673 557558144 /nfs/dbraw/zinc/55/81/44/557558144.db2.gz CQNSZTUMTKDQTB-UHFFFAOYSA-N 0 0 433.584 2.767 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1nc2ccc(SC(C)(C)C)nn2c1=O ZINC000045970885 557558403 /nfs/dbraw/zinc/55/84/03/557558403.db2.gz UCAARZFCIJSARF-UHFFFAOYSA-N 0 0 429.502 2.597 50 0 IFAARN COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000606422464 557636029 /nfs/dbraw/zinc/63/60/29/557636029.db2.gz NEKWBCSASGTZRO-UHFFFAOYSA-N 0 0 427.482 2.639 50 0 IFAARN CC1=C(C(=O)O[C@H](C)c2nc3cc(Br)cnc3[nH]2)[C@H](C)n2ncnc2N1C ZINC000225388564 557717578 /nfs/dbraw/zinc/71/75/78/557717578.db2.gz JHLAHBWRBFFXBQ-VHSXEESVSA-N 0 0 432.282 2.901 50 0 IFAARN CC1=C(C(=O)O[C@@H](C)c2nc3cc(Br)cnc3[nH]2)[C@H](C)n2ncnc2N1C ZINC000225388517 557717640 /nfs/dbraw/zinc/71/76/40/557717640.db2.gz JHLAHBWRBFFXBQ-UWVGGRQHSA-N 0 0 432.282 2.901 50 0 IFAARN C[C@H](CCC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000225496635 557730175 /nfs/dbraw/zinc/73/01/75/557730175.db2.gz YJTLVQVMOJLAEW-HIFRSBDPSA-N 0 0 440.566 2.752 50 0 IFAARN COC(=O)N1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CC1 ZINC000225517026 557733978 /nfs/dbraw/zinc/73/39/78/557733978.db2.gz WNPNBTPVEZVYHU-UHFFFAOYSA-N 0 0 435.477 2.587 50 0 IFAARN COc1ccc(-c2noc([C@H](CCS(C)(=O)=O)N3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000225525390 557736019 /nfs/dbraw/zinc/73/60/19/557736019.db2.gz WWVITMXNWBFBHK-KRWDZBQOSA-N 0 0 441.465 2.517 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1ccc(F)cc1Cl ZINC000040478110 557753255 /nfs/dbraw/zinc/75/32/55/557753255.db2.gz KYKPICXORKLTEF-UHFFFAOYSA-N 0 0 448.792 2.746 50 0 IFAARN O=C(CCSc1ccccn1)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000225716487 557767686 /nfs/dbraw/zinc/76/76/86/557767686.db2.gz POXZGBLXIHFPSJ-GOSISDBHSA-N 0 0 431.533 2.537 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@H]2CN(C(=O)c3ccncc3)CC23CCCCC3)CC1 ZINC000096309916 557777018 /nfs/dbraw/zinc/77/70/18/557777018.db2.gz LRERJZVVIFSJHY-HXUWFJFHSA-N 0 0 427.545 2.906 50 0 IFAARN Cn1cnnc1[C@H]1CCCN1c1cc(N2CCC[C@H]2c2nncn2C)nc(C(C)(C)C)n1 ZINC000225823183 557781389 /nfs/dbraw/zinc/78/13/89/557781389.db2.gz KEOPOQPUYHRADP-IYBDPMFKSA-N 0 0 436.568 2.714 50 0 IFAARN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000229702749 557833137 /nfs/dbraw/zinc/83/31/37/557833137.db2.gz SEEIOXKGHDVQFJ-ZGXWSNOMSA-N 0 0 432.584 2.514 50 0 IFAARN COc1ccc(Cl)cc1-c1nc(SCC(=O)N2CCN(c3ccccn3)CC2)n[nH]1 ZINC000018542451 557837523 /nfs/dbraw/zinc/83/75/23/557837523.db2.gz SZPMKPHOUMKFDZ-UHFFFAOYSA-N 0 0 444.948 2.970 50 0 IFAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@H]12 ZINC000239339087 557844025 /nfs/dbraw/zinc/84/40/25/557844025.db2.gz LRHOREJRTCMJCN-VWEIPLKFSA-N 0 0 447.443 2.619 50 0 IFAARN CC(C)N(C(=O)CO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]12)c1ccccc1 ZINC000239358465 557844230 /nfs/dbraw/zinc/84/42/30/557844230.db2.gz NJHYYAKMLCLPQN-RQUKQETFSA-N 0 0 435.517 2.841 50 0 IFAARN O=C(NCc1ccc(N2CCOCC2)nc1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000240668147 557845496 /nfs/dbraw/zinc/84/54/96/557845496.db2.gz HMPGAQVEUREAPJ-UHFFFAOYSA-N 0 0 433.390 2.917 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3ccccc3OC3CC3)CC2)c1 ZINC000242191276 557847307 /nfs/dbraw/zinc/84/73/07/557847307.db2.gz XEGUUEIEHTWDIZ-UHFFFAOYSA-N 0 0 432.542 2.752 50 0 IFAARN CC(=O)N[C@H](CC(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21)c1ccc(C)cc1 ZINC000242389407 557847730 /nfs/dbraw/zinc/84/77/30/557847730.db2.gz ZXAHMIWDSUTFRP-AKFKNWHVSA-N 0 0 447.535 2.739 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C ZINC000018668175 557854542 /nfs/dbraw/zinc/85/45/42/557854542.db2.gz CJBLKADRYPFCAN-UONOGXRCSA-N 0 0 432.571 2.946 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C ZINC000018668174 557854554 /nfs/dbraw/zinc/85/45/54/557854554.db2.gz CJBLKADRYPFCAN-ZIAGYGMSSA-N 0 0 432.571 2.946 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1ccc2c(c1)OCO2 ZINC000001062535 562920155 /nfs/dbraw/zinc/92/01/55/562920155.db2.gz DWMGVUNMPCGNRD-UHFFFAOYSA-N 0 0 438.889 2.871 50 0 IFAARN Cc1c(NC(=O)c2cc3c(nc4ccccn4c3=O)s2)c(=O)n(-c2ccccc2)n1C ZINC000001062496 562920160 /nfs/dbraw/zinc/92/01/60/562920160.db2.gz JXVCLUJUEPVWIB-UHFFFAOYSA-N 0 0 431.477 2.959 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1C ZINC000001076870 562920357 /nfs/dbraw/zinc/92/03/57/562920357.db2.gz HJFUDHZGWUYEQA-UHFFFAOYSA-N 0 0 428.554 2.989 50 0 IFAARN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000001186134 562920814 /nfs/dbraw/zinc/92/08/14/562920814.db2.gz XLAOVTVJQWYXJA-UHFFFAOYSA-N 0 0 428.432 2.760 50 0 IFAARN O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1CCCn1ccnc1 ZINC000001211692 562920898 /nfs/dbraw/zinc/92/08/98/562920898.db2.gz HUESOPCDGXQNLR-UHFFFAOYSA-N 0 0 427.464 2.522 50 0 IFAARN CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccccc1F ZINC000002151697 562926026 /nfs/dbraw/zinc/92/60/26/562926026.db2.gz LWAFJAUWIUJDHP-XFQAVAEZSA-N 0 0 426.492 2.779 50 0 IFAARN CC1(C)NC(=O)N(C[C@H](O)COc2cc3ccccc3cc2C(=O)N2CCCCC2)C1=O ZINC000002202962 562926307 /nfs/dbraw/zinc/92/63/07/562926307.db2.gz KSACHZWXBFKHEO-SFHVURJKSA-N 0 0 439.512 2.536 50 0 IFAARN O=C(COc1ncnc2scc(-c3ccccc3)c21)NCCN1C(=O)CSC1=O ZINC000002637612 562928982 /nfs/dbraw/zinc/92/89/82/562928982.db2.gz QFUDBZMWEIBKQV-UHFFFAOYSA-N 0 0 428.495 2.549 50 0 IFAARN C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O ZINC000002636662 562929002 /nfs/dbraw/zinc/92/90/02/562929002.db2.gz RUCDLLPAFORGMI-NRFANRHFSA-N 0 0 442.313 2.801 50 0 IFAARN COc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000002653439 562929414 /nfs/dbraw/zinc/92/94/14/562929414.db2.gz RGJZQAXHVBDKLH-UHFFFAOYSA-N 0 0 444.465 2.562 50 0 IFAARN Cc1cc(NC(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)ccc1Br ZINC000002658364 562929582 /nfs/dbraw/zinc/92/95/82/562929582.db2.gz AQJSCOXPJUCONO-GUYCJALGSA-N 0 0 427.320 2.693 50 0 IFAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)cc1 ZINC000002971750 562931358 /nfs/dbraw/zinc/93/13/58/562931358.db2.gz KZTXIPCDPSLPGY-UHFFFAOYSA-N 0 0 440.525 2.662 50 0 IFAARN Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1 ZINC000003022318 562931748 /nfs/dbraw/zinc/93/17/48/562931748.db2.gz PWYAPUIQWLNXDV-UHFFFAOYSA-N 0 0 434.489 2.914 50 0 IFAARN Cc1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1C(=O)N1CCC2(CC1)OCCO2 ZINC000003046848 562932210 /nfs/dbraw/zinc/93/22/10/562932210.db2.gz FIDKBTPTWRNUJL-UHFFFAOYSA-N 0 0 448.541 2.895 50 0 IFAARN COc1ccc2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)sc2c1 ZINC000003265662 562933535 /nfs/dbraw/zinc/93/35/35/562933535.db2.gz AZIBZDBUNORFDM-UHFFFAOYSA-N 0 0 447.538 2.887 50 0 IFAARN CCc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)s1 ZINC000003270288 562933546 /nfs/dbraw/zinc/93/35/46/562933546.db2.gz DZENZNGVWLYFSG-AWEZNQCLSA-N 0 0 434.568 2.916 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(Cl)cc1 ZINC000003317883 562934146 /nfs/dbraw/zinc/93/41/46/562934146.db2.gz ZRZRXOQKORZDOQ-UHFFFAOYSA-N 0 0 436.917 2.598 50 0 aggregator IFAARN COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl ZINC000003477323 562936224 /nfs/dbraw/zinc/93/62/24/562936224.db2.gz YETHJMZETFYHLD-UHFFFAOYSA-N 0 0 425.894 2.614 50 0 IFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc(F)cc1F ZINC000003525765 562936349 /nfs/dbraw/zinc/93/63/49/562936349.db2.gz HUVBUHYIMSWBHC-UHFFFAOYSA-N 0 0 444.481 2.609 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl ZINC000003581486 562936463 /nfs/dbraw/zinc/93/64/63/562936463.db2.gz FAJIQLFQJVHHCL-UHFFFAOYSA-N 0 0 430.935 2.934 50 0 IFAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000003593342 562936680 /nfs/dbraw/zinc/93/66/80/562936680.db2.gz CKNOHEFZRVWJKM-LJQANCHMSA-N 0 0 446.257 2.584 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000003621963 562936858 /nfs/dbraw/zinc/93/68/58/562936858.db2.gz RANFALVLDVGJJU-IAGOWNOFSA-N 0 0 436.574 2.831 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000003626892 562936905 /nfs/dbraw/zinc/93/69/05/562936905.db2.gz ULVALYAYYZUZCL-MRXNPFEDSA-N 0 0 431.367 2.632 50 0 IFAARN CCOc1ccc(-n2cc(C(=O)NCCOC)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000003660467 562937619 /nfs/dbraw/zinc/93/76/19/562937619.db2.gz PJCCTYBIWYNQLT-UHFFFAOYSA-N 0 0 426.469 2.783 50 0 IFAARN Cn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000004103812 562941985 /nfs/dbraw/zinc/94/19/85/562941985.db2.gz NJAWNZOEVGQNDR-UHFFFAOYSA-N 0 0 431.558 2.776 50 0 IFAARN CC[C@@](C)(C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)CNC(=O)c1ccccc1 ZINC000004115439 562942119 /nfs/dbraw/zinc/94/21/19/562942119.db2.gz IUCHXVAMUWGYHD-RDPSFJRHSA-N 0 0 429.561 2.652 50 0 IFAARN CC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)CNC(=O)c1ccccc1 ZINC000004115442 562942137 /nfs/dbraw/zinc/94/21/37/562942137.db2.gz IUCHXVAMUWGYHD-HYBUGGRVSA-N 0 0 429.561 2.652 50 0 IFAARN C[C@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(Cc3ccccc3)c(=O)c2S1 ZINC000004142647 562942242 /nfs/dbraw/zinc/94/22/42/562942242.db2.gz XVDYAKZWFRVEBQ-GOEBONIOSA-N 0 0 431.583 2.716 50 0 IFAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCc3cccnc3)c(C)o2)cc1OC ZINC000006577112 562947468 /nfs/dbraw/zinc/94/74/68/562947468.db2.gz SNTYBKSSPANJMS-PMERELPUSA-N 0 0 429.498 2.627 50 0 aggregator IFAARN CCOC(=O)N1CCN(C(=O)C[S@@](=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1 ZINC000006578221 562948047 /nfs/dbraw/zinc/94/80/47/562948047.db2.gz RUQKANRODBWMQC-SSEXGKCCSA-N 0 0 433.530 2.508 50 0 IFAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1 ZINC000008191407 562949099 /nfs/dbraw/zinc/94/90/99/562949099.db2.gz MHADZKGQLCZHEO-UHFFFAOYSA-N 0 0 425.529 2.994 50 0 IFAARN CCOc1ccc(N2CCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1 ZINC000008464191 562949547 /nfs/dbraw/zinc/94/95/47/562949547.db2.gz BKVHGSXWOWPNFO-UHFFFAOYSA-N 0 0 431.496 2.690 50 0 IFAARN COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc32)cc1OC ZINC000008587995 562950555 /nfs/dbraw/zinc/95/05/55/562950555.db2.gz NQZINLRXASAVMR-NRFANRHFSA-N 0 0 446.507 2.958 50 0 IFAARN COc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1Cl ZINC000008588715 562950791 /nfs/dbraw/zinc/95/07/91/562950791.db2.gz HMXWJDAPIWDGQM-UHFFFAOYSA-N 0 0 438.889 2.790 50 0 IFAARN CCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000008589450 562951198 /nfs/dbraw/zinc/95/11/98/562951198.db2.gz UGHDPDSYKLCPSY-QGZVFWFLSA-N 0 0 443.569 2.701 50 0 IFAARN CCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)CC1 ZINC000008589550 562951261 /nfs/dbraw/zinc/95/12/61/562951261.db2.gz LBJXSRQBQRZKDH-ZLPCBKJTSA-N 0 0 435.590 2.595 50 0 IFAARN COc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1OC ZINC000008590562 562951766 /nfs/dbraw/zinc/95/17/66/562951766.db2.gz BAROPIODURICPR-CYBMUJFWSA-N 0 0 448.497 2.534 50 0 IFAARN CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(OC)cc1 ZINC000008590827 562951909 /nfs/dbraw/zinc/95/19/09/562951909.db2.gz IIZQYSWBIPXEKD-GOSISDBHSA-N 0 0 443.891 2.813 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000008592100 562952224 /nfs/dbraw/zinc/95/22/24/562952224.db2.gz INEASJVJGCPLKU-UHFFFAOYSA-N 0 0 445.475 2.867 50 0 IFAARN COCCCNC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000008592598 562952403 /nfs/dbraw/zinc/95/24/03/562952403.db2.gz KJDQSALBKXNWEW-IBGZPJMESA-N 0 0 442.512 2.952 50 0 aggregator IFAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3cccc(OC)c3)cc2C[C@@H]1C ZINC000008595264 562953322 /nfs/dbraw/zinc/95/33/22/562953322.db2.gz SKYAGSDCVHNJMK-INIZCTEOSA-N 0 0 444.553 2.863 50 0 IFAARN CN(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1cccc2nsnc21 ZINC000008596400 562953806 /nfs/dbraw/zinc/95/38/06/562953806.db2.gz DSTUJCDZLGKQLG-UHFFFAOYSA-N 0 0 441.332 2.713 50 0 IFAARN Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc21 ZINC000008597142 562953901 /nfs/dbraw/zinc/95/39/01/562953901.db2.gz UETPCFNOWMNJOH-UHFFFAOYSA-N 0 0 447.822 2.710 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2nnc(S(=O)(=O)c3ccc(C)c(C)c3)c2N)c(C)c1 ZINC000008599342 562954720 /nfs/dbraw/zinc/95/47/20/562954720.db2.gz SWRVDKGXKWNKFB-UHFFFAOYSA-N 0 0 427.530 2.874 50 0 aggregator IFAARN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2cccs2)cc1 ZINC000008601407 562955276 /nfs/dbraw/zinc/95/52/76/562955276.db2.gz KHMNTTWCJSOCKT-QGZVFWFLSA-N 0 0 432.523 2.597 50 0 IFAARN Cc1cc(NC(=O)CSc2ncc(C(=O)Nc3ccc(Cl)cc3)c(=O)n2C)no1 ZINC000008601447 562955353 /nfs/dbraw/zinc/95/53/53/562955353.db2.gz MAYSYWKXUZACCY-UHFFFAOYSA-N 0 0 433.877 2.713 50 0 IFAARN O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1 ZINC000008601475 562955368 /nfs/dbraw/zinc/95/53/68/562955368.db2.gz WVTLMDKUQAEPSB-KRWDZBQOSA-N 0 0 448.591 2.800 50 0 IFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cccc(C)c1C ZINC000008601942 562955737 /nfs/dbraw/zinc/95/57/37/562955737.db2.gz SLBRMFPFLOFYMO-UHFFFAOYSA-N 0 0 426.542 2.932 50 0 IFAARN Cc1nn(S(=O)(=O)c2cc(C)ccc2C)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000008611403 562958538 /nfs/dbraw/zinc/95/85/38/562958538.db2.gz JAWOMPMUHFLZON-UHFFFAOYSA-N 0 0 425.576 2.918 50 0 IFAARN CCOc1cc2[nH]c(=O)n(CCCCCC(=O)NCc3ccco3)c(=O)c2cc1OCC ZINC000008680403 562961566 /nfs/dbraw/zinc/96/15/66/562961566.db2.gz UQNMUPPZBDJRJH-UHFFFAOYSA-N 0 0 443.500 2.957 50 0 IFAARN Cc1ccc(-n2c(=O)c3sccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1F ZINC000008682589 562961781 /nfs/dbraw/zinc/96/17/81/562961781.db2.gz NDEJAVPSOYGSEE-UHFFFAOYSA-N 0 0 434.452 2.718 50 0 IFAARN O=C(/C=C/c1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000008687836 562963068 /nfs/dbraw/zinc/96/30/68/562963068.db2.gz FSZYYJWKXFSRKU-DHZHZOJOSA-N 0 0 441.553 2.960 50 0 IFAARN CCOCCCNC(=O)[C@@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)CNC(C)=O ZINC000008690871 562963344 /nfs/dbraw/zinc/96/33/44/562963344.db2.gz ABSMQHZJSTUMNZ-JOCHJYFZSA-N 0 0 445.585 2.805 50 0 IFAARN CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cc2C1=O ZINC000008692861 562963650 /nfs/dbraw/zinc/96/36/50/562963650.db2.gz JQECRWINANQWRS-UHFFFAOYSA-N 0 0 443.525 2.894 50 0 IFAARN NC(=O)CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000008822826 562964361 /nfs/dbraw/zinc/96/43/61/562964361.db2.gz NQHNKYUSJAHABJ-UHFFFAOYSA-N 0 0 441.560 2.592 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)C1 ZINC000008812445 562964368 /nfs/dbraw/zinc/96/43/68/562964368.db2.gz UVOBWSVDXGGVSY-LMMKCTJWSA-N 0 0 442.025 2.933 50 0 IFAARN COc1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008868023 562965476 /nfs/dbraw/zinc/96/54/76/562965476.db2.gz OWPBSVTULDRTLF-MRXNPFEDSA-N 0 0 427.478 2.631 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCCC4OCCO4)s3)CC2=O)cc1 ZINC000008906101 562965892 /nfs/dbraw/zinc/96/58/92/562965892.db2.gz QFPXZILHEFQSMZ-CYBMUJFWSA-N 0 0 434.543 2.693 50 0 IFAARN O=C(Nc1nnc(SCCC2OCCO2)s1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008908529 562965907 /nfs/dbraw/zinc/96/59/07/562965907.db2.gz OYEJNLGOVODWBN-LLVKDONJSA-N 0 0 438.506 2.524 50 0 IFAARN Cc1ccccc1N1C[C@@H](C(=O)Nc2nnc(SCCC3OCCO3)s2)CC1=O ZINC000008904618 562965909 /nfs/dbraw/zinc/96/59/09/562965909.db2.gz XFOPLWUFAFTFLB-ZDUSSCGKSA-N 0 0 434.543 2.693 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl ZINC000008917173 562966045 /nfs/dbraw/zinc/96/60/45/562966045.db2.gz YXJAEFWDSKWRJT-UHFFFAOYSA-N 0 0 445.884 2.763 50 0 IFAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)NC[C@H]1CCCO1 ZINC000008933469 562966145 /nfs/dbraw/zinc/96/61/45/562966145.db2.gz CEPCJBFHICHXMU-QGZVFWFLSA-N 0 0 434.471 2.834 50 0 IFAARN CN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009111695 562967095 /nfs/dbraw/zinc/96/70/95/562967095.db2.gz DYFAISJBKJQEGJ-UHFFFAOYSA-N 0 0 449.598 2.641 50 0 IFAARN COc1ccc([S@](=O)Cc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)o2)cc1 ZINC000009115715 562967187 /nfs/dbraw/zinc/96/71/87/562967187.db2.gz BZLSZRWEMNWHKE-HKBQPEDESA-N 0 0 442.493 2.787 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCc4cccnc4)nn32)cc1 ZINC000009116732 562967207 /nfs/dbraw/zinc/96/72/07/562967207.db2.gz VQEAHKLCTUIHGS-UHFFFAOYSA-N 0 0 440.554 2.641 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)COc2ccccc2F)c(=O)[nH]c1=O ZINC000009124998 562967437 /nfs/dbraw/zinc/96/74/37/562967437.db2.gz BOMSLUHOGNFAAG-UHFFFAOYSA-N 0 0 440.475 2.670 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000009124747 562967454 /nfs/dbraw/zinc/96/74/54/562967454.db2.gz MEPGQCRLMHFWDO-LJQANCHMSA-N 0 0 441.553 2.848 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000009127700 562967577 /nfs/dbraw/zinc/96/75/77/562967577.db2.gz CTWHMSDTUGPDSW-QGZVFWFLSA-N 0 0 445.541 2.750 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)NC[C@@H]3CCCO3)ccc2C)cc1 ZINC000009139059 562967730 /nfs/dbraw/zinc/96/77/30/562967730.db2.gz OIUTVWNZPVTYTF-IBGZPJMESA-N 0 0 446.525 2.556 50 0 IFAARN C[C@@H](CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000009151596 562967808 /nfs/dbraw/zinc/96/78/08/562967808.db2.gz HYDCOUREQHYRBG-ZDUSSCGKSA-N 0 0 436.917 2.582 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)cc1 ZINC000009288691 562968905 /nfs/dbraw/zinc/96/89/05/562968905.db2.gz CKOPPPYIZRXGNB-LBPRGKRZSA-N 0 0 445.522 2.700 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000009384342 562969811 /nfs/dbraw/zinc/96/98/11/562969811.db2.gz FNGKDCMSQPLRKE-INIZCTEOSA-N 0 0 432.498 2.901 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccncc4)o3)cc2)C1 ZINC000009428089 562970461 /nfs/dbraw/zinc/97/04/61/562970461.db2.gz WNUYQICYSXCZNW-CQSZACIVSA-N 0 0 427.486 2.805 50 0 IFAARN O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000009430764 562970626 /nfs/dbraw/zinc/97/06/26/562970626.db2.gz LSUNLZSFYQZKGI-OAHLLOKOSA-N 0 0 429.473 2.707 50 0 IFAARN CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000009432358 562970752 /nfs/dbraw/zinc/97/07/52/562970752.db2.gz TYVWTBVIIQZKCU-UHFFFAOYSA-N 0 0 443.525 2.619 50 0 IFAARN O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000009435868 562971083 /nfs/dbraw/zinc/97/10/83/562971083.db2.gz VKLHBYVJUOBBGV-UHFFFAOYSA-N 0 0 441.553 2.531 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccco1 ZINC000009447170 562971296 /nfs/dbraw/zinc/97/12/96/562971296.db2.gz OJUNXWCXLGPULU-VVSIHKJWSA-N 0 0 427.526 2.697 50 0 IFAARN CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 ZINC000009448126 562971327 /nfs/dbraw/zinc/97/13/27/562971327.db2.gz RWHQZHUKGXGWCR-APWZRJJASA-N 0 0 443.544 2.748 50 0 IFAARN O=C(CCc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009492667 562972150 /nfs/dbraw/zinc/97/21/50/562972150.db2.gz LBSLSGDFASCMJU-UHFFFAOYSA-N 0 0 443.569 2.879 50 0 IFAARN CCOc1ccccc1/C=C/c1onc(C)c1S(=O)(=O)N1CCC(C(=O)NC)CC1 ZINC000009502995 562972410 /nfs/dbraw/zinc/97/24/10/562972410.db2.gz LJUCOZNYBJTSTC-MDZDMXLPSA-N 0 0 433.530 2.699 50 0 IFAARN CCN(C(=O)CSc1nc(C)nc2sc3c(c21)CCC3)[C@H]1CCS(=O)(=O)C1 ZINC000009510023 562972642 /nfs/dbraw/zinc/97/26/42/562972642.db2.gz GHORBLORNKZRMZ-LBPRGKRZSA-N 0 0 425.601 2.616 50 0 IFAARN O=C(CSc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)s1)NC1CCCC1 ZINC000009517877 562972747 /nfs/dbraw/zinc/97/27/47/562972747.db2.gz CQPADDLIALUOBP-ZDUSSCGKSA-N 0 0 445.570 2.681 50 0 IFAARN O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)NCc1ccc(F)cc1 ZINC000009518630 562972820 /nfs/dbraw/zinc/97/28/20/562972820.db2.gz BBICTIGHYXBEMA-UHFFFAOYSA-N 0 0 436.415 2.825 50 0 IFAARN CC(C)N(C(=O)COC(=O)c1cccc(C(=O)OCC(=O)N(C(C)C)C(C)C)n1)C(C)C ZINC000009539688 562973050 /nfs/dbraw/zinc/97/30/50/562973050.db2.gz KHSXJRPZJXLZCI-UHFFFAOYSA-N 0 0 449.548 2.686 50 0 IFAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1 ZINC000009584030 562973546 /nfs/dbraw/zinc/97/35/46/562973546.db2.gz FDXVOSXBDXZUEX-NRFANRHFSA-N 0 0 434.496 2.695 50 0 IFAARN NC(=O)N[C@H](CC(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000009593470 562973794 /nfs/dbraw/zinc/97/37/94/562973794.db2.gz MPRDNSQZXRMNFN-OAHLLOKOSA-N 0 0 443.847 2.671 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CCN(c3ccccn3)CC2)c1 ZINC000009613105 562974163 /nfs/dbraw/zinc/97/41/63/562974163.db2.gz FTMMZBJULUAVOF-UHFFFAOYSA-N 0 0 447.630 2.940 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccn2C)c1 ZINC000009630856 562974338 /nfs/dbraw/zinc/97/43/38/562974338.db2.gz FWFSERZKKZDVNJ-UHFFFAOYSA-N 0 0 427.910 2.505 50 0 IFAARN CCCCc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 ZINC000009646936 562974760 /nfs/dbraw/zinc/97/47/60/562974760.db2.gz HMAYAPHRKWWPDL-UHFFFAOYSA-N 0 0 432.542 2.937 50 0 IFAARN CCCCCN(C(=O)COC(=O)c1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000009663350 562974920 /nfs/dbraw/zinc/97/49/20/562974920.db2.gz JMUMTIQFZQCELG-UHFFFAOYSA-N 0 0 444.532 2.608 50 0 IFAARN COc1ccc(OC)c(NC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)c1 ZINC000009673962 562975343 /nfs/dbraw/zinc/97/53/43/562975343.db2.gz WTQZZTCHTGQEPY-UHFFFAOYSA-N 0 0 434.499 2.809 50 0 IFAARN CCn1cc(C(=O)NCCC(C)C)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009725894 562976098 /nfs/dbraw/zinc/97/60/98/562976098.db2.gz HMNYQWHLGCVSGM-UHFFFAOYSA-N 0 0 433.574 2.972 50 0 IFAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1F ZINC000009743222 562976325 /nfs/dbraw/zinc/97/63/25/562976325.db2.gz KOVDODCWZIEUOP-INIZCTEOSA-N 0 0 433.505 2.514 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000009821325 562977260 /nfs/dbraw/zinc/97/72/60/562977260.db2.gz KEOHVESZUCMSBL-LBPRGKRZSA-N 0 0 441.285 2.923 50 0 IFAARN CC(C)CCN(C(=O)c1cn2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009955454 562977895 /nfs/dbraw/zinc/97/78/95/562977895.db2.gz WBTVRIGCAQXMHQ-UHFFFAOYSA-N 0 0 446.511 2.508 50 0 IFAARN O=C(NC1CCC(O)CC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000009986702 562978215 /nfs/dbraw/zinc/97/82/15/562978215.db2.gz JHNKDIUVGZFMSY-UHFFFAOYSA-N 0 0 435.373 2.814 50 0 IFAARN CNC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010186928 562978556 /nfs/dbraw/zinc/97/85/56/562978556.db2.gz RJISUAHYVVJPKR-UHFFFAOYSA-N 0 0 447.991 2.862 50 0 IFAARN COc1ccccc1-c1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)o1 ZINC000010187047 562978571 /nfs/dbraw/zinc/97/85/71/562978571.db2.gz JJGKRLLKHSJPFP-CYBMUJFWSA-N 0 0 434.499 2.599 50 0 IFAARN CCNC(=O)NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000012858802 562983242 /nfs/dbraw/zinc/98/32/42/562983242.db2.gz IQMFDINOKRHQBF-UHFFFAOYSA-N 0 0 431.333 2.618 50 0 IFAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000012941136 562983541 /nfs/dbraw/zinc/98/35/41/562983541.db2.gz YBHZGBPFHUARJG-UHFFFAOYSA-N 0 0 427.457 2.585 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c(F)cccc1Cl ZINC000013149725 562985367 /nfs/dbraw/zinc/98/53/67/562985367.db2.gz CSWZUDUWLQHTKG-UHFFFAOYSA-N 0 0 442.896 2.690 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)sc2c1 ZINC000013495640 562990983 /nfs/dbraw/zinc/99/09/83/562990983.db2.gz CQBZFCJBURMPGS-LLVKDONJSA-N 0 0 433.486 2.831 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3C)cc2C[C@H]1C ZINC000015936377 563018795 /nfs/dbraw/zinc/01/87/95/563018795.db2.gz QKPIHWINKRFSSN-CQSZACIVSA-N 0 0 433.505 2.739 50 0 IFAARN O=C1N[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1c1cccc(Cl)c1 ZINC000015937056 563019079 /nfs/dbraw/zinc/01/90/79/563019079.db2.gz LXDCMKDGOIGDMH-HNNXBMFYSA-N 0 0 433.795 2.838 50 0 IFAARN COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)s2)c1 ZINC000015962834 563020536 /nfs/dbraw/zinc/02/05/36/563020536.db2.gz WZXISHGEFLFRCP-UHFFFAOYSA-N 0 0 433.349 2.504 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c(C)c1 ZINC000016689744 563020982 /nfs/dbraw/zinc/02/09/82/563020982.db2.gz QTKISAWFEHVDFT-LJQANCHMSA-N 0 0 432.542 2.692 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020213975 563024115 /nfs/dbraw/zinc/02/41/15/563024115.db2.gz FOGAQLHGZGHVNS-LJQANCHMSA-N 0 0 449.935 2.786 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000032962487 563084295 /nfs/dbraw/zinc/08/42/95/563084295.db2.gz YNRNXSHCPPCGMM-VMPITWQZSA-N 0 0 427.570 2.521 50 0 IFAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000036321844 563092742 /nfs/dbraw/zinc/09/27/42/563092742.db2.gz PRVPDEGNCJVTAW-UHFFFAOYSA-N 0 0 434.496 2.659 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NCc3ccccc3)CC2)cc1 ZINC000036385119 563094372 /nfs/dbraw/zinc/09/43/72/563094372.db2.gz ORDDIFWLMWNEDG-IBGZPJMESA-N 0 0 429.586 2.650 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2ccccc2F)c1=O)CCCN3CCc1ccccc1 ZINC000037866365 563095905 /nfs/dbraw/zinc/09/59/05/563095905.db2.gz FDRZBVLYKJPKPA-UHFFFAOYSA-N 0 0 433.487 2.537 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(CCc2ccccc2)c1=O)CCCN3CCc1ccccc1 ZINC000037866358 563095912 /nfs/dbraw/zinc/09/59/12/563095912.db2.gz JTGKGCBCGNNYDU-UHFFFAOYSA-N 0 0 429.524 2.592 50 0 IFAARN O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)C(=O)NC1CCCCC1 ZINC000056945712 563142888 /nfs/dbraw/zinc/14/28/88/563142888.db2.gz DLRCOCMFQHUELU-OAQYLSRUSA-N 0 0 442.535 2.847 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000095947973 563195017 /nfs/dbraw/zinc/19/50/17/563195017.db2.gz JZAUDPRTPXJYRR-ZIAGYGMSSA-N 0 0 432.502 2.859 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000022928956 568612905 /nfs/dbraw/zinc/61/29/05/568612905.db2.gz CHQJSOVTVFQPFT-FQEVSTJZSA-N 0 0 440.563 2.746 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000022928952 568612988 /nfs/dbraw/zinc/61/29/88/568612988.db2.gz CHQJSOVTVFQPFT-HXUWFJFHSA-N 0 0 440.563 2.746 50 0 IFAARN CCCC(=O)OC[C@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C1CC1 ZINC000104989770 568623859 /nfs/dbraw/zinc/62/38/59/568623859.db2.gz GKUPANNAZHCMQZ-DZGCQCFKSA-N 0 0 433.574 2.778 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c2cccnc12 ZINC000048332812 568625638 /nfs/dbraw/zinc/62/56/38/568625638.db2.gz JBPHTXMDRQSWIE-IBGZPJMESA-N 0 0 427.526 2.595 50 0 IFAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)c(OC)c2)c(OC)c1 ZINC000000909858 568636464 /nfs/dbraw/zinc/63/64/64/568636464.db2.gz FHMBWJSBPNTWNK-IBGZPJMESA-N 0 0 429.498 2.850 50 0 IFAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000000909785 568636602 /nfs/dbraw/zinc/63/66/02/568636602.db2.gz YADOZGPQCVZIJC-HXUWFJFHSA-N 0 0 427.457 2.988 50 0 IFAARN O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1cc(Br)ccc1F ZINC000025134882 568638084 /nfs/dbraw/zinc/63/80/84/568638084.db2.gz JNFRUHQTLXWDCZ-UHFFFAOYSA-N 0 0 435.702 2.950 50 0 IFAARN CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000019079372 568639001 /nfs/dbraw/zinc/63/90/01/568639001.db2.gz IUEKRUPGPVSHKL-UHFFFAOYSA-N 0 0 434.568 2.560 50 0 IFAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(c3nc(C)cc(C)n3)CC2)cc1OC ZINC000025147248 568641442 /nfs/dbraw/zinc/64/14/42/568641442.db2.gz IYIVQKCNOLUZSE-UHFFFAOYSA-N 0 0 446.515 2.542 50 0 IFAARN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CSc2nc(C)cc(C)n2)CC1 ZINC000025154113 568643486 /nfs/dbraw/zinc/64/34/86/568643486.db2.gz UCIUEWYYTLIJQW-LJQANCHMSA-N 0 0 448.976 2.897 50 0 IFAARN COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)[C@@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000253617524 568644117 /nfs/dbraw/zinc/64/41/17/568644117.db2.gz SYHUKNSTHJICMX-MCLMHSMZSA-N 0 0 438.605 2.508 50 0 IFAARN Cn1cc(Br)c(C(=O)N2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)n1 ZINC000000999894 568649813 /nfs/dbraw/zinc/64/98/13/568649813.db2.gz JIIAJNNAXJIDKO-QPJJXVBHSA-N 0 0 437.725 2.834 50 0 IFAARN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)C1=O ZINC000001012806 568651922 /nfs/dbraw/zinc/65/19/22/568651922.db2.gz JMPUXIXCJJPWMS-WQRHYEAKSA-N 0 0 436.493 2.860 50 0 IFAARN CCc1c(-c2ccccc2)n(-c2ccc3c(c2)OCO3)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000001078394 568656689 /nfs/dbraw/zinc/65/66/89/568656689.db2.gz LZLJZFCNLCMMGP-UHFFFAOYSA-N 0 0 443.463 2.634 50 0 IFAARN Cn1c(Sc2nc3ccccc3n2Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000001093835 568658645 /nfs/dbraw/zinc/65/86/45/568658645.db2.gz RNOKQGHTQBYICH-UHFFFAOYSA-N 0 0 432.509 2.520 50 0 IFAARN CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(F)c1 ZINC000001103817 568660217 /nfs/dbraw/zinc/66/02/17/568660217.db2.gz JTVWPSITUIWZOJ-KRWDZBQOSA-N 0 0 435.455 2.755 50 0 IFAARN NS(=O)(=O)c1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000001105858 568660445 /nfs/dbraw/zinc/66/04/45/568660445.db2.gz PCDDXUAKDPYZOU-GOSISDBHSA-N 0 0 433.873 2.631 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCNC(=O)c1ccccc1 ZINC000025519878 568661081 /nfs/dbraw/zinc/66/10/81/568661081.db2.gz AESYEGIRIVIKCH-GOSISDBHSA-N 0 0 433.961 2.738 50 0 IFAARN COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000063376216 568739480 /nfs/dbraw/zinc/73/94/80/568739480.db2.gz UZTJEDVSAVRYMP-QZTJIDSGSA-N 0 0 438.908 2.502 50 0 IFAARN CSc1ncccc1C(=O)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1 ZINC000043960145 568744409 /nfs/dbraw/zinc/74/44/09/568744409.db2.gz BLXSCTFUKOCNBS-UHFFFAOYSA-N 0 0 437.562 2.914 50 0 IFAARN COc1ccc(CCS(=O)(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)cc1 ZINC000043960624 568744451 /nfs/dbraw/zinc/74/44/51/568744451.db2.gz PZFASBFLHPQGLZ-CMDGGOBGSA-N 0 0 432.542 2.702 50 0 IFAARN O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000043956472 568744479 /nfs/dbraw/zinc/74/44/79/568744479.db2.gz UMEAYRZCSKVEAX-UHFFFAOYSA-N 0 0 428.963 2.997 50 0 IFAARN CC(C)N(C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C(C)C ZINC000003275740 568744828 /nfs/dbraw/zinc/74/48/28/568744828.db2.gz AJIFBYAIWZAOLW-UHFFFAOYSA-N 0 0 429.494 2.866 50 0 IFAARN CCCNC(=O)COC(=O)c1cc(Cl)c(N2C(=O)c3ccccc3C2=O)cc1OC ZINC000003285894 568744990 /nfs/dbraw/zinc/74/49/90/568744990.db2.gz VJXFKFNTNFDCNR-UHFFFAOYSA-N 0 0 430.844 2.832 50 0 IFAARN Cc1cc(=O)oc2cc(OCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c(Cl)cc12 ZINC000019132583 568744994 /nfs/dbraw/zinc/74/49/94/568744994.db2.gz WPPCLUMKHCHDJT-CQSZACIVSA-N 0 0 441.933 2.805 50 0 IFAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c(C)n1C[C@H]1CCCO1 ZINC000003288495 568745177 /nfs/dbraw/zinc/74/51/77/568745177.db2.gz HINAXHWSUGLQGW-GOSISDBHSA-N 0 0 449.507 2.980 50 0 IFAARN CCc1nc(-c2ccc(N3CCN(C(=O)c4cncc(Br)c4)CC3)nc2)no1 ZINC000044094835 568748085 /nfs/dbraw/zinc/74/80/85/568748085.db2.gz ALKLFALDVNFVPO-UHFFFAOYSA-N 0 0 443.305 2.814 50 0 IFAARN O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000003430242 568748918 /nfs/dbraw/zinc/74/89/18/568748918.db2.gz AAJSFKZIPJPULW-PMACEKPBSA-N 0 0 442.537 2.805 50 0 IFAARN CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)C1=O ZINC000003450591 568749530 /nfs/dbraw/zinc/74/95/30/568749530.db2.gz NJPGVZCEAQOEOT-UHFFFAOYSA-N 0 0 427.482 2.650 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000003477702 568749996 /nfs/dbraw/zinc/74/99/96/568749996.db2.gz NYOWBWSYEVWERP-RUZDIDTESA-N 0 0 433.508 2.698 50 0 IFAARN CN(C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000003520691 568750337 /nfs/dbraw/zinc/75/03/37/568750337.db2.gz GKTFWMCSXAQUQT-QGZVFWFLSA-N 0 0 438.505 2.704 50 0 IFAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O ZINC000003593394 568751263 /nfs/dbraw/zinc/75/12/63/568751263.db2.gz KAIAWCPIQLQXPY-NRFANRHFSA-N 0 0 444.329 2.965 50 0 IFAARN O=S(=O)(Oc1cc2nnnn2nc1-c1ccccc1)c1ccc(Br)cc1 ZINC000003767014 568754465 /nfs/dbraw/zinc/75/44/65/568754465.db2.gz UPQNZEFMIXIATC-UHFFFAOYSA-N 0 0 432.259 2.717 50 0 IFAARN COc1ccccc1CN1CCc2c(C(=O)NCCC(C)C)c(OC)cc(=O)n2CC1 ZINC000299757537 568755576 /nfs/dbraw/zinc/75/55/76/568755576.db2.gz JDOMWVGTKFMBSD-UHFFFAOYSA-N 0 0 427.545 2.700 50 0 IFAARN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CCN(C)CC4)c3C3CC3)ncc1CC2 ZINC000299760459 568755704 /nfs/dbraw/zinc/75/57/04/568755704.db2.gz SMZVNKRGOHWWNB-UHFFFAOYSA-N 0 0 444.539 2.702 50 0 IFAARN CN1C(=O)C[C@@](CC(=O)N2CCN(c3ccc(F)cc3)CC2)(c2ccccc2Cl)C1=O ZINC000299759325 568755752 /nfs/dbraw/zinc/75/57/52/568755752.db2.gz QNWYOOUPBAIGFW-HSZRJFAPSA-N 0 0 443.906 2.845 50 0 IFAARN Cc1cc(CN(C)C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)[nH]n1 ZINC000299761304 568755771 /nfs/dbraw/zinc/75/57/71/568755771.db2.gz UZZLQFXOSXNZMW-VWLOTQADSA-N 0 0 445.523 2.667 50 0 IFAARN Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)[C@@H]2CC(=O)OC24CCCCC4)CC3)n1 ZINC000299776250 568756947 /nfs/dbraw/zinc/75/69/47/568756947.db2.gz MDOZHIMOVUIPBW-PMACEKPBSA-N 0 0 439.556 2.901 50 0 IFAARN Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)[C@@H]2CC(=O)OC24CCCCC4)CC3)n1 ZINC000299776255 568756995 /nfs/dbraw/zinc/75/69/95/568756995.db2.gz MDOZHIMOVUIPBW-VQTJNVASSA-N 0 0 439.556 2.901 50 0 IFAARN O=CN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C2CC2)CC1 ZINC000299776795 568757030 /nfs/dbraw/zinc/75/70/30/568757030.db2.gz LXLKKTKBGJAJNB-UHFFFAOYSA-N 0 0 442.523 2.610 50 0 IFAARN O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccs2)C3=O)C1)N1CCOCC1 ZINC000299801460 568757946 /nfs/dbraw/zinc/75/79/46/568757946.db2.gz YLUONGWTBSSFQJ-MRXNPFEDSA-N 0 0 439.537 2.620 50 0 IFAARN O=C([C@H]1CCCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)C1)N1CCCCC1 ZINC000299801619 568757948 /nfs/dbraw/zinc/75/79/48/568757948.db2.gz ZRKRQHOCURHKHL-ZWKOTPCHSA-N 0 0 425.529 2.691 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000015343532 568758329 /nfs/dbraw/zinc/75/83/29/568758329.db2.gz QYTXEIRRYPUDRA-UHFFFAOYSA-N 0 0 437.949 2.561 50 0 IFAARN COc1ccccc1OCCN1CCN(C(=O)CC2(n3cccc3)CCOCC2)CC1 ZINC000263588540 568761072 /nfs/dbraw/zinc/76/10/72/568761072.db2.gz VLTNUQHTMFVYJE-UHFFFAOYSA-N 0 0 427.545 2.616 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2cccc(OC)c2)cc1 ZINC000015391160 568761559 /nfs/dbraw/zinc/76/15/59/568761559.db2.gz HLHIIXVJXRXVSW-GOSISDBHSA-N 0 0 432.542 2.954 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC000015391543 568761804 /nfs/dbraw/zinc/76/18/04/568761804.db2.gz VWDJEFMPEPJUCN-IBGZPJMESA-N 0 0 443.569 2.869 50 0 IFAARN O=C(CC1CCCC1)N1CCN(Cc2nnn3c2CO[C@H](c2cccc(F)c2)C3)CC1 ZINC000263616283 568776563 /nfs/dbraw/zinc/77/65/63/568776563.db2.gz HWXWGKQSECHYEY-QFIPXVFZSA-N 0 0 427.524 2.913 50 0 IFAARN COc1ccc(CCNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)cc1OC ZINC000263617067 568777096 /nfs/dbraw/zinc/77/70/96/568777096.db2.gz LXJJEXMHYUGQJJ-FQEVSTJZSA-N 0 0 426.448 2.678 50 0 IFAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5F)CC4)c3CO2)cc1 ZINC000263617764 568777417 /nfs/dbraw/zinc/77/74/17/568777417.db2.gz PNHXCJLYWGYTNS-NRFANRHFSA-N 0 0 437.475 2.660 50 0 IFAARN Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC(F)F)CC4)c3CO2)cc1 ZINC000263617885 568777421 /nfs/dbraw/zinc/77/74/21/568777421.db2.gz QFBNQRGIDLWYPG-SFHVURJKSA-N 0 0 432.471 2.697 50 0 IFAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5F)CC4)c3CO2)cc1 ZINC000263617765 568777506 /nfs/dbraw/zinc/77/75/06/568777506.db2.gz PNHXCJLYWGYTNS-OAQYLSRUSA-N 0 0 437.475 2.660 50 0 IFAARN Cc1ccc(-c2nn3ccn(Cc4cc(=O)n5cc(Cl)ccc5n4)c(=O)c3c2CO)cc1 ZINC000263618501 568777643 /nfs/dbraw/zinc/77/76/43/568777643.db2.gz UCPONWZOSTYQLC-UHFFFAOYSA-N 0 0 447.882 2.673 50 0 IFAARN CN1c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)Nc3nccs3)c3cccc(c23)C1=O ZINC000083881758 568784221 /nfs/dbraw/zinc/78/42/21/568784221.db2.gz YTANPVCKTYYYNF-HNNXBMFYSA-N 0 0 442.522 2.678 50 0 IFAARN COCCNS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)c1 ZINC000223236386 568786564 /nfs/dbraw/zinc/78/65/64/568786564.db2.gz AFDGZVLVXLCFSM-UHFFFAOYSA-N 0 0 445.497 2.668 50 0 IFAARN CN1CCN(C(=O)Cc2ccc(F)c(Br)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000084240572 568796551 /nfs/dbraw/zinc/79/65/51/568796551.db2.gz LYLBQDUECCZNHT-AWEZNQCLSA-N 0 0 444.345 2.798 50 0 IFAARN Cn1ncnc1COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000084304011 568796989 /nfs/dbraw/zinc/79/69/89/568796989.db2.gz WGQRDINNJYYJFJ-UHFFFAOYSA-N 0 0 447.948 2.558 50 0 IFAARN O=C(OCc1ccccc1)N1CCC[C@@H]1CS(=O)(=O)N1CCC(n2ccnc2)CC1 ZINC000084539387 568798574 /nfs/dbraw/zinc/79/85/74/568798574.db2.gz LQDKHABMNCGBKX-HXUWFJFHSA-N 0 0 432.546 2.651 50 0 IFAARN CC(C)c1nccn1Cc1cccc(NC(=O)N2CCN(c3nc(N)ns3)CC2)c1 ZINC000084631249 568799416 /nfs/dbraw/zinc/79/94/16/568799416.db2.gz RBOCDAJKLUZSAR-UHFFFAOYSA-N 0 0 426.550 2.843 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 ZINC000015615211 568799557 /nfs/dbraw/zinc/79/95/57/568799557.db2.gz PGWYGXGZURPSLK-KRWDZBQOSA-N 0 0 446.525 2.911 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000015622337 568799963 /nfs/dbraw/zinc/79/99/63/568799963.db2.gz YFKONVLTYCUDNG-UHFFFAOYSA-N 0 0 442.541 2.729 50 0 IFAARN CCc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)[nH]1 ZINC000012780318 568800699 /nfs/dbraw/zinc/80/06/99/568800699.db2.gz FSPVFQFAPMHZKW-OKILXGFUSA-N 0 0 437.591 2.765 50 0 IFAARN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000084739839 568800881 /nfs/dbraw/zinc/80/08/81/568800881.db2.gz KUVCNOLCHLDCHP-HUUCEWRRSA-N 0 0 436.350 2.709 50 0 IFAARN CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1nc(C)c(Br)s1 ZINC000084765603 568801129 /nfs/dbraw/zinc/80/11/29/568801129.db2.gz MLHQZIQLKMFCIY-UHFFFAOYSA-N 0 0 448.364 2.872 50 0 IFAARN CCCCN1C=C(OC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2S1(=O)=O ZINC000015669465 568801966 /nfs/dbraw/zinc/80/19/66/568801966.db2.gz OEMVOVKPNCMCBN-UHFFFAOYSA-N 0 0 440.477 2.629 50 0 IFAARN CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)cc1 ZINC000015677851 568804983 /nfs/dbraw/zinc/80/49/83/568804983.db2.gz YCHZYZJDAZSWCK-QGZVFWFLSA-N 0 0 435.546 2.778 50 0 IFAARN O=C(c1cc(-c2ccco2)n[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000015680587 568806284 /nfs/dbraw/zinc/80/62/84/568806284.db2.gz SNPYOOVYHIWMMN-UHFFFAOYSA-N 0 0 426.907 2.531 50 0 IFAARN C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O ZINC000015720898 568811835 /nfs/dbraw/zinc/81/18/35/568811835.db2.gz KZYCKKNKFKOMNV-SUMWQHHRSA-N 0 0 431.489 2.874 50 0 IFAARN O=c1[nH]c2cc(-c3noc(CNS(=O)(=O)c4ccccc4)n3)ccc2n1C1CCCC1 ZINC000015729870 568813712 /nfs/dbraw/zinc/81/37/12/568813712.db2.gz BCGNWKMRSNPZED-UHFFFAOYSA-N 0 0 439.497 2.973 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc1OC ZINC000015730652 568814058 /nfs/dbraw/zinc/81/40/58/568814058.db2.gz LPCDHBCNSUSYHS-ZDUSSCGKSA-N 0 0 436.555 2.905 50 0 IFAARN O=C(CCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)NCCc1c[nH]c2ccccc12 ZINC000015736284 568817054 /nfs/dbraw/zinc/81/70/54/568817054.db2.gz OSZQYBGBMDGNPU-UHFFFAOYSA-N 0 0 444.470 2.792 50 0 IFAARN O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000001460009 568819464 /nfs/dbraw/zinc/81/94/64/568819464.db2.gz NMHMEKYZJDVBGP-ZDUSSCGKSA-N 0 0 427.737 2.659 50 0 IFAARN O=C(COc1ccccc1)NCCNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000026000436 568820284 /nfs/dbraw/zinc/82/02/84/568820284.db2.gz UDECAUWIXYIJOT-UHFFFAOYSA-N 0 0 443.301 2.764 50 0 IFAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000015752107 568820356 /nfs/dbraw/zinc/82/03/56/568820356.db2.gz MQCMEISPZKFWFA-JTQLQIEISA-N 0 0 441.292 2.847 50 0 IFAARN Cc1cc(C)cc(NC(=O)N2CCC(N3CCN(Cc4ccccn4)C(=O)C3=O)CC2)c1 ZINC000015774718 568823238 /nfs/dbraw/zinc/82/32/38/568823238.db2.gz ZUBMKRRJTKMQFJ-UHFFFAOYSA-N 0 0 435.528 2.566 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000015775621 568823459 /nfs/dbraw/zinc/82/34/59/568823459.db2.gz NSPPCACTAASLCL-NRFANRHFSA-N 0 0 445.516 2.917 50 0 IFAARN COc1ccccc1CNC(=O)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000015777455 568823957 /nfs/dbraw/zinc/82/39/57/568823957.db2.gz DTJVFUOWBXLDMX-UHFFFAOYSA-N 0 0 429.546 2.596 50 0 IFAARN CCOc1ccc(-c2nc3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n3n2)cc1 ZINC000001481234 568825143 /nfs/dbraw/zinc/82/51/43/568825143.db2.gz MFUOCFNSJUDMLN-UNOMPAQXSA-N 0 0 437.477 2.698 50 0 IFAARN COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(ccn3C)c2)C1 ZINC000015784419 568827404 /nfs/dbraw/zinc/82/74/04/568827404.db2.gz ODRPDVTYEXPLHC-IBGZPJMESA-N 0 0 441.553 2.904 50 0 IFAARN O=S(=O)(c1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1)N1CCOCC1 ZINC000085642207 568828927 /nfs/dbraw/zinc/82/89/27/568828927.db2.gz HRLMYCIUZXGPEY-UHFFFAOYSA-N 0 0 440.275 2.780 50 0 IFAARN CC(C)CNC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000085643705 568829025 /nfs/dbraw/zinc/82/90/25/568829025.db2.gz ORLCCLZAOJBJEF-UHFFFAOYSA-N 0 0 425.551 2.784 50 0 IFAARN COc1ccc(-c2noc(Cn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)cc1OC ZINC000085644324 568829316 /nfs/dbraw/zinc/82/93/16/568829316.db2.gz MSYOQHDYDSYHLB-UHFFFAOYSA-N 0 0 434.408 2.755 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1nc2ccccc2s1 ZINC000085645628 568830558 /nfs/dbraw/zinc/83/05/58/568830558.db2.gz IEIKAFVRRCZLTH-UHFFFAOYSA-N 0 0 444.542 2.710 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1C ZINC000012821319 568830888 /nfs/dbraw/zinc/83/08/88/568830888.db2.gz WAYKWYRGYLPVBK-UHFFFAOYSA-N 0 0 439.541 2.767 50 0 IFAARN Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000085650874 568830916 /nfs/dbraw/zinc/83/09/16/568830916.db2.gz WEPKDSHATSFVRH-UHFFFAOYSA-N 0 0 446.573 2.763 50 0 IFAARN CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCCC2)c1 ZINC000085650841 568830956 /nfs/dbraw/zinc/83/09/56/568830956.db2.gz BXOGJYIVCWBUNE-UHFFFAOYSA-N 0 0 438.937 2.553 50 0 IFAARN CC(=O)Oc1ccc(Cl)cc1[C@H]1OC(c2nc3nc(C)cc(C)n3n2)=NN1C(C)=O ZINC000015785674 568832256 /nfs/dbraw/zinc/83/22/56/568832256.db2.gz CEGIMVROJMUOME-GOSISDBHSA-N 0 0 428.836 2.559 50 0 IFAARN Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)NCc3ccco3)c2)ccc1=O ZINC000085651994 568832263 /nfs/dbraw/zinc/83/22/63/568832263.db2.gz RBMNXHYDRJBEMN-UHFFFAOYSA-N 0 0 440.481 2.884 50 0 IFAARN COc1ccc(CCC(=O)N2CCN(c3ccc(=O)n(-c4ccc(OC)cc4)n3)CC2)cc1 ZINC000085654488 568832712 /nfs/dbraw/zinc/83/27/12/568832712.db2.gz LKRMHQDYLHHRIJ-UHFFFAOYSA-N 0 0 448.523 2.531 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCc3ccccn3)CC2)c1C ZINC000085710418 568834879 /nfs/dbraw/zinc/83/48/79/568834879.db2.gz GTPYMHUCZQLNFU-UHFFFAOYSA-N 0 0 440.544 2.691 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1 ZINC000015824890 568840531 /nfs/dbraw/zinc/84/05/31/568840531.db2.gz WZYQKEKMAZKWKL-UHFFFAOYSA-N 0 0 447.474 2.711 50 0 IFAARN CC[C@H](C)NC(=O)CN1c2ccccc2S(=O)(=O)N(c2cc(OC)cc(OC)c2)C1=O ZINC000015826959 568840866 /nfs/dbraw/zinc/84/08/66/568840866.db2.gz OFCVSTZXJKDHHN-AWEZNQCLSA-N 0 0 447.513 2.754 50 0 IFAARN CN1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2C1 ZINC000015880146 568854006 /nfs/dbraw/zinc/85/40/06/568854006.db2.gz NZNDGHNTLAIGFU-NSHDSACASA-N 0 0 447.007 2.638 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CN(C)CC4)cc2)CC1 ZINC000015880108 568854128 /nfs/dbraw/zinc/85/41/28/568854128.db2.gz GUXNQHAANAYSIR-UHFFFAOYSA-N 0 0 434.587 2.804 50 0 IFAARN Cc1cc(NC(=O)c2ccccc2I)n(-c2nc(C)cc(=O)[nH]2)n1 ZINC000015881329 568855087 /nfs/dbraw/zinc/85/50/87/568855087.db2.gz DLCITWZZFQUAFV-UHFFFAOYSA-N 0 0 435.225 2.842 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(OC(C)C)cc3)CC2)cc1 ZINC000015881631 568855856 /nfs/dbraw/zinc/85/58/56/568855856.db2.gz XFZLYUCCJYGAAA-UHFFFAOYSA-N 0 0 445.585 2.519 50 0 IFAARN O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1ccc2c(c1)OCO2 ZINC000015882766 568857314 /nfs/dbraw/zinc/85/73/14/568857314.db2.gz ZVZBMCKTLUBKIH-UHFFFAOYSA-N 0 0 436.493 2.635 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000015883295 568857429 /nfs/dbraw/zinc/85/74/29/568857429.db2.gz MKPFOKJMBHCTFF-UHFFFAOYSA-N 0 0 442.475 2.636 50 0 IFAARN CCOC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)Nc1ccc(Br)cc1 ZINC000015883384 568857589 /nfs/dbraw/zinc/85/75/89/568857589.db2.gz YHGJOXCSZQVJAZ-UHFFFAOYSA-N 0 0 426.292 2.748 50 0 IFAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cccc(OC)c1 ZINC000015883568 568857816 /nfs/dbraw/zinc/85/78/16/568857816.db2.gz KFSYTHKCESCUQW-UHFFFAOYSA-N 0 0 442.541 2.714 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000015884084 568857989 /nfs/dbraw/zinc/85/79/89/568857989.db2.gz CEOVYCKFPXHYMU-UHFFFAOYSA-N 0 0 435.513 2.633 50 0 IFAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015955289 568859630 /nfs/dbraw/zinc/85/96/30/568859630.db2.gz JEFJLBXDTAVNAR-UGCAPWQASA-N 0 0 431.492 2.743 50 0 IFAARN NC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c2ccccc2O1 ZINC000049643470 568860078 /nfs/dbraw/zinc/86/00/78/568860078.db2.gz PNUCJYASGYPKPM-MBSDFSHPSA-N 0 0 443.503 2.972 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000575414930 568862452 /nfs/dbraw/zinc/86/24/52/568862452.db2.gz RFIVEQUNGZJGKT-MSOLQXFVSA-N 0 0 440.537 2.913 50 0 IFAARN CCOc1ccc(NC(=O)CSc2nnc(SCC(N)=O)s2)cc1OCC ZINC000012940025 568868462 /nfs/dbraw/zinc/86/84/62/568868462.db2.gz HVLUGQQWSHNCEO-UHFFFAOYSA-N 0 0 428.561 2.644 50 0 IFAARN COC(=O)c1cnc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000012940419 568869813 /nfs/dbraw/zinc/86/98/13/568869813.db2.gz GKSRGPSZIFHSFZ-UHFFFAOYSA-N 0 0 437.543 2.676 50 0 IFAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000016084426 568869918 /nfs/dbraw/zinc/86/99/18/568869918.db2.gz VMHJLVLVJCWRDE-GOSISDBHSA-N 0 0 435.498 2.564 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)c1sc2[nH]c(C)nc(=O)c2c1C ZINC000016097271 568870250 /nfs/dbraw/zinc/87/02/50/568870250.db2.gz MAVQIWKZPNBABV-UHFFFAOYSA-N 0 0 429.454 2.574 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000012943380 568870325 /nfs/dbraw/zinc/87/03/25/568870325.db2.gz IHLUOYZQLDGKRD-UHFFFAOYSA-N 0 0 445.541 2.924 50 0 IFAARN O=C(CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1Br ZINC000012944882 568870625 /nfs/dbraw/zinc/87/06/25/568870625.db2.gz ZKLUXFDLINDHRL-HNNXBMFYSA-N 0 0 430.302 2.553 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=S)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)C1 ZINC000016237790 568874777 /nfs/dbraw/zinc/87/47/77/568874777.db2.gz GZZUSPOSMBLEJU-MRXNPFEDSA-N 0 0 441.619 2.997 50 0 IFAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)N1CCN(C(=O)c4ccccc4F)CC1)(C3)C2 ZINC000026210998 568875720 /nfs/dbraw/zinc/87/57/20/568875720.db2.gz ZCZDEUCYEYKFBO-ISVJADKWSA-N 0 0 427.520 2.585 50 0 IFAARN CCOCCCn1c(C)c(C)n2c1nc1c2c(=O)n(CCCc2ccccc2)c(=O)n1C ZINC000006195372 568876844 /nfs/dbraw/zinc/87/68/44/568876844.db2.gz JWMZMAVCCDRRPP-UHFFFAOYSA-N 0 0 437.544 2.826 50 0 IFAARN CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC000026389397 568877314 /nfs/dbraw/zinc/87/73/14/568877314.db2.gz YCIKEGXXRJHFQI-UHFFFAOYSA-N 0 0 446.266 2.725 50 0 IFAARN Cc1cc(O[C@@H]2CCCN(C(=O)CN3CCN(c4ccccc4F)C3=O)C2)nc(C)n1 ZINC000575608998 568878593 /nfs/dbraw/zinc/87/85/93/568878593.db2.gz IARADBOWWCPPKH-QGZVFWFLSA-N 0 0 427.480 2.545 50 0 IFAARN Cc1cc(O[C@H]2CCCN(C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)nc(C)n1 ZINC000575609828 568878777 /nfs/dbraw/zinc/87/87/77/568878777.db2.gz QOSBPPCJVIMCSA-IBGZPJMESA-N 0 0 431.558 2.888 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](Oc3cc(C)nc(C)n3)C2)c(C)c1 ZINC000575610273 568879028 /nfs/dbraw/zinc/87/90/28/568879028.db2.gz VCCZJUOUKYSDIU-SFHVURJKSA-N 0 0 432.546 2.982 50 0 IFAARN Cc1cc(C)n([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccsc2)n1 ZINC000575612622 568879451 /nfs/dbraw/zinc/87/94/51/568879451.db2.gz BLRWDBYDMZAIQG-KRWDZBQOSA-N 0 0 426.498 2.677 50 0 IFAARN Cc1c(C(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cnn1-c1ccccc1 ZINC000575614720 568881105 /nfs/dbraw/zinc/88/11/05/568881105.db2.gz CMTUFJJGMAILID-UHFFFAOYSA-N 0 0 434.422 2.572 50 0 IFAARN O=S(=O)(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(OC(F)(F)F)cc1 ZINC000575616986 568881713 /nfs/dbraw/zinc/88/17/13/568881713.db2.gz PDXBBYZXRZBXCU-VIFPVBQESA-N 0 0 444.357 2.780 50 0 IFAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](c2cc3ccccc3o2)N(C)C)c1 ZINC000575618742 568882159 /nfs/dbraw/zinc/88/21/59/568882159.db2.gz BYLKSJAYBYEZHI-MRXNPFEDSA-N 0 0 432.498 2.809 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](OCCO)c3ccsc3)n(C)n2)c1 ZINC000575618686 568882354 /nfs/dbraw/zinc/88/23/54/568882354.db2.gz AXXXGQKTCFAXDH-HXUWFJFHSA-N 0 0 431.514 2.646 50 0 IFAARN COc1ccc([C@H](NC(=O)CN2CCC[C@@H](C(=O)Nc3nncs3)C2)C(C)C)cc1 ZINC000229829952 568887178 /nfs/dbraw/zinc/88/71/78/568887178.db2.gz VHXJWKDCFUNQIT-VQIMIIECSA-N 0 0 431.562 2.711 50 0 IFAARN CC(C)CN(C(=O)CN(C)Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000016388246 568887311 /nfs/dbraw/zinc/88/73/11/568887311.db2.gz UMVYXJMFHLWQFD-INIZCTEOSA-N 0 0 431.396 2.553 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)cc1 ZINC000090582860 568888152 /nfs/dbraw/zinc/88/81/52/568888152.db2.gz QDPBXMKMEZZCEM-UHFFFAOYSA-N 0 0 447.494 2.522 50 0 IFAARN Cc1nc(Nc2ccc(NC(=O)COc3ccc(-n4cccn4)nn3)cc2)cc(N(C)C)n1 ZINC000090607722 568890141 /nfs/dbraw/zinc/89/01/41/568890141.db2.gz VTZQFBWEIUUDEL-UHFFFAOYSA-N 0 0 445.487 2.588 50 0 IFAARN O=C(c1ccc(Oc2ncccn2)cc1)N1CCN(c2cc(-n3cccc3)ncn2)CC1 ZINC000090607820 568890397 /nfs/dbraw/zinc/89/03/97/568890397.db2.gz NOHJWCXRSRAVAD-UHFFFAOYSA-N 0 0 427.468 2.812 50 0 IFAARN O=C([C@H]1CSc2nccc(=O)n2C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000090609890 568891588 /nfs/dbraw/zinc/89/15/88/568891588.db2.gz YPUKPJPSRGHZHT-OAQYLSRUSA-N 0 0 446.576 2.899 50 0 IFAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000012979336 568891983 /nfs/dbraw/zinc/89/19/83/568891983.db2.gz IOKIUCACKBGCEB-UHFFFAOYSA-N 0 0 436.516 2.865 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NCC[C@H](O)c3ccc4c(c3)OCO4)n(C)n2)c1 ZINC000090612577 568892479 /nfs/dbraw/zinc/89/24/79/568892479.db2.gz CQAZDMGEJQXXEZ-IBGZPJMESA-N 0 0 439.468 2.687 50 0 IFAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n3C)n1C[C@H]1CCCO1 ZINC000006321608 568892692 /nfs/dbraw/zinc/89/26/92/568892692.db2.gz OMBDCOXULRYZIL-LJQANCHMSA-N 0 0 435.528 2.610 50 0 IFAARN O=C(COC(=O)C(=Cc1ccc(F)cc1)c1cccs1)NCCN1C(=O)CSC1=O ZINC000013098900 568892917 /nfs/dbraw/zinc/89/29/17/568892917.db2.gz GAJZUDGDENLGRN-XNTDXEJSSA-N 0 0 448.497 2.783 50 0 IFAARN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000018151203 568894397 /nfs/dbraw/zinc/89/43/97/568894397.db2.gz MWKNEVLPQBBAEV-UHFFFAOYSA-N 0 0 446.569 2.814 50 0 IFAARN C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@H]1CCCO1 ZINC000012981735 568894587 /nfs/dbraw/zinc/89/45/87/568894587.db2.gz DHAZPJRAMYHICX-IUODEOHRSA-N 0 0 436.361 2.577 50 0 IFAARN CCc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000012987125 568895059 /nfs/dbraw/zinc/89/50/59/568895059.db2.gz ONOBRZAMRNNBBM-UHFFFAOYSA-N 0 0 446.569 2.732 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(N3CCCC3)n2C[C@H]2CCCO2)c1C ZINC000012989621 568895230 /nfs/dbraw/zinc/89/52/30/568895230.db2.gz YZPXQZXZNXVZAZ-OAHLLOKOSA-N 0 0 447.561 2.764 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)COc1cccc(-n3cnnn3)c1)C[C@@H](C)CC2 ZINC000012989169 568895354 /nfs/dbraw/zinc/89/53/54/568895354.db2.gz BBSFWCAFLBZGEE-LBPRGKRZSA-N 0 0 427.486 2.653 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)ccc1Cl ZINC000012985889 568895605 /nfs/dbraw/zinc/89/56/05/568895605.db2.gz QLIXXMWNIPRUEZ-GFCCVEGCSA-N 0 0 443.909 2.851 50 0 IFAARN COC(=O)/C=C/c1ccc(OC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c(OC)c1 ZINC000030976889 568895706 /nfs/dbraw/zinc/89/57/06/568895706.db2.gz VRFZTXANHINWLK-DHZHZOJOSA-N 0 0 447.509 2.724 50 0 IFAARN O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1cnc2ccccc2n1 ZINC000039975951 568896219 /nfs/dbraw/zinc/89/62/19/568896219.db2.gz WDKGOUPHANOTLT-VXLYETTFSA-N 0 0 448.460 2.825 50 0 IFAARN CC(C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)N1CCOCC1 ZINC000013002306 568898354 /nfs/dbraw/zinc/89/83/54/568898354.db2.gz LQFCDQZOBNCBNN-CQSZACIVSA-N 0 0 425.776 2.738 50 0 IFAARN C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013003859 568898683 /nfs/dbraw/zinc/89/86/83/568898683.db2.gz JLVHDVJPZMJNFU-SECBINFHSA-N 0 0 431.850 2.824 50 0 IFAARN CCOc1ccccc1N1C[C@H](C(=O)N(CC)CC(=O)NCc2cccs2)CC1=O ZINC000013004039 568898765 /nfs/dbraw/zinc/89/87/65/568898765.db2.gz DCDRDXDUAGKHGO-MRXNPFEDSA-N 0 0 429.542 2.665 50 0 IFAARN CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)c1ccccc1 ZINC000013003843 568898800 /nfs/dbraw/zinc/89/88/00/568898800.db2.gz IXXXLNWRQUODES-UHFFFAOYSA-N 0 0 435.933 2.835 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000013005531 568899335 /nfs/dbraw/zinc/89/93/35/568899335.db2.gz QRSBZXURSRPHST-XJKSGUPXSA-N 0 0 445.379 2.779 50 0 IFAARN CC(C)[C@H](CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CCOCC1 ZINC000013015066 568901404 /nfs/dbraw/zinc/90/14/04/568901404.db2.gz YFUHICZZEHCLJM-QFIPXVFZSA-N 0 0 435.524 2.569 50 0 IFAARN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013016639 568901635 /nfs/dbraw/zinc/90/16/35/568901635.db2.gz JAJPNRMHAMOLCS-SFHVURJKSA-N 0 0 434.945 2.565 50 0 IFAARN COc1cccc(CN(C)C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 ZINC000013017678 568901774 /nfs/dbraw/zinc/90/17/74/568901774.db2.gz RBKPHGQPXDNBSI-UHFFFAOYSA-N 0 0 427.526 2.515 50 0 IFAARN O=C(C[C@@H](c1coc2ccccc2c1=O)c1cc2c(cc1O)OCO2)NCCn1cccn1 ZINC000524729619 568903827 /nfs/dbraw/zinc/90/38/27/568903827.db2.gz AMGUTQLTSQFDOZ-MRXNPFEDSA-N 0 0 447.447 2.762 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1Br ZINC000105436244 568909900 /nfs/dbraw/zinc/90/99/00/568909900.db2.gz JHNVNOGLOUZHRL-UHFFFAOYSA-N 0 0 435.340 2.699 50 0 IFAARN CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000089274598 568910095 /nfs/dbraw/zinc/91/00/95/568910095.db2.gz AYMWCYMPGOMMCH-HXPMCKFVSA-N 0 0 441.937 2.573 50 0 IFAARN CCOc1ccccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000239275088 568910949 /nfs/dbraw/zinc/91/09/49/568910949.db2.gz BDXWZQDDAWXFHA-LMMKCTJWSA-N 0 0 442.512 2.933 50 0 IFAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000239415259 568911542 /nfs/dbraw/zinc/91/15/42/568911542.db2.gz UBRFORVCBVBPCG-UIBIWLFHSA-N 0 0 441.619 2.524 50 0 IFAARN COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000241969527 568912568 /nfs/dbraw/zinc/91/25/68/568912568.db2.gz UXBCDFOHCFWTSB-NPPFBWRTSA-N 0 0 434.558 2.585 50 0 IFAARN O=C(NCCCn1ccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000245255831 568913788 /nfs/dbraw/zinc/91/37/88/568913788.db2.gz LOEGQDNMRKFIIN-QAQDUYKDSA-N 0 0 438.981 2.828 50 0 IFAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5cc(C)ccc5N4[C@@H](C(C)=O)[C@H]3C2=O)cc1 ZINC000245256513 568913957 /nfs/dbraw/zinc/91/39/57/568913957.db2.gz QFOXYBRIWZFRPC-MLCQCVOFSA-N 0 0 430.460 2.899 50 0 IFAARN CC(=O)Nc1ccc(OS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 ZINC000026748663 568916284 /nfs/dbraw/zinc/91/62/84/568916284.db2.gz TYIRZQBHXJOJSA-UHFFFAOYSA-N 0 0 441.259 2.506 50 0 IFAARN COc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccc(Cl)cc2Cl)cc1 ZINC000001859466 568916913 /nfs/dbraw/zinc/91/69/13/568916913.db2.gz XMZMPBMIZWCQCO-UHFFFAOYSA-N 0 0 425.268 2.591 50 0 IFAARN COc1cc(-c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccc(F)c2)CC3)cc(OC)c1OC ZINC000016531398 568920562 /nfs/dbraw/zinc/92/05/62/568920562.db2.gz USLSAMVEKJJVSZ-UHFFFAOYSA-N 0 0 439.443 2.800 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2cc3cc(Br)ccc3oc2=O)CC1 ZINC000001926029 568923309 /nfs/dbraw/zinc/92/33/09/568923309.db2.gz GHWQWNGQEJZYDG-UHFFFAOYSA-N 0 0 431.242 2.747 50 0 IFAARN Cc1cccc(-c2nnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCO4)n2C)c1 ZINC000016617624 568926318 /nfs/dbraw/zinc/92/63/18/568926318.db2.gz GREHRWTXQTVNQZ-UHFFFAOYSA-N 0 0 425.470 2.960 50 0 IFAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc32)no1 ZINC000064450600 568928619 /nfs/dbraw/zinc/92/86/19/568928619.db2.gz RSZPAFXBHVYKRD-UHFFFAOYSA-N 0 0 428.470 2.721 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)N(CC)c4ccccc4)cc32)no1 ZINC000064450649 568928690 /nfs/dbraw/zinc/92/86/90/568928690.db2.gz RTWYMTGTROIYKI-UHFFFAOYSA-N 0 0 442.497 2.773 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccccc4CC)cc32)no1 ZINC000064450650 568928723 /nfs/dbraw/zinc/92/87/23/568928723.db2.gz UXSCQQVQAAJTSF-UHFFFAOYSA-N 0 0 442.497 2.921 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)c2)C[C@H](C)O1 ZINC000064458985 568929474 /nfs/dbraw/zinc/92/94/74/568929474.db2.gz MQTRKODKGKIYAR-FUHIMQAGSA-N 0 0 448.589 2.526 50 0 IFAARN COc1cc(NC(=O)CCC2CCCC2)c(C(=O)N2CCN(C(C)=O)CC2)cc1OC ZINC000006543332 568930933 /nfs/dbraw/zinc/93/09/33/568930933.db2.gz MNZDOWOLCXYIDD-UHFFFAOYSA-N 0 0 431.533 2.917 50 0 IFAARN Cc1ccc(OCC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000064526178 568931117 /nfs/dbraw/zinc/93/11/17/568931117.db2.gz AHWGPLIEARIZFC-UHFFFAOYSA-N 0 0 436.512 2.553 50 0 IFAARN CCOc1cc(C(=O)OCC(=O)NCCC(C)C)ccc1OCC(=O)N1CCCCC1 ZINC000013104922 568931537 /nfs/dbraw/zinc/93/15/37/568931537.db2.gz IZWHQGYSCNVLQC-UHFFFAOYSA-N 0 0 434.533 2.796 50 0 IFAARN CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)c1cc(OC)cc(OC)c1)CC2 ZINC000064567129 568933330 /nfs/dbraw/zinc/93/33/30/568933330.db2.gz SOGSUFWPSYQZJF-UHFFFAOYSA-N 0 0 442.545 2.636 50 0 IFAARN O=C(NC1CCCC1)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064567464 568933489 /nfs/dbraw/zinc/93/34/89/568933489.db2.gz CLSOHJQSXVZTGF-UHFFFAOYSA-N 0 0 432.528 2.614 50 0 IFAARN COc1ccc(C)cc1NC(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C ZINC000064590976 568935458 /nfs/dbraw/zinc/93/54/58/568935458.db2.gz HQZNVLXVIUDHMA-UHFFFAOYSA-N 0 0 425.489 2.675 50 0 IFAARN COc1ccccc1-n1ccn2c(SCC(=O)Nc3ccccc3F)nnc2c1=O ZINC000064593078 568935789 /nfs/dbraw/zinc/93/57/89/568935789.db2.gz LMKOPKVTRVIUBS-UHFFFAOYSA-N 0 0 425.445 2.759 50 0 IFAARN COc1cccc(-n2ccn3c(SCC(=O)Nc4cccc(F)c4)nnc3c2=O)c1 ZINC000064593718 568935998 /nfs/dbraw/zinc/93/59/98/568935998.db2.gz GBQLOTLTMMVGHV-UHFFFAOYSA-N 0 0 425.445 2.759 50 0 IFAARN Cc1c(O)ccc2c(CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cc(=O)oc12 ZINC000089537089 568936665 /nfs/dbraw/zinc/93/66/65/568936665.db2.gz FNQORSXRWJMUTH-UHFFFAOYSA-N 0 0 448.928 2.967 50 0 IFAARN COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O ZINC000089552942 568937355 /nfs/dbraw/zinc/93/73/55/568937355.db2.gz MPNDMXZRNOTEOE-GDBMZVCRSA-N 0 0 439.468 2.577 50 0 IFAARN Cc1cc(CSc2ncccc2C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)no1 ZINC000016694730 568938924 /nfs/dbraw/zinc/93/89/24/568938924.db2.gz WRTHSXGKINNUCK-UHFFFAOYSA-N 0 0 449.510 2.554 50 0 IFAARN O=C(CN1CCc2ccccc2[C@@H]1C(=O)N1CCCC1)N1CCN(c2ccccc2)CC1 ZINC000064611348 568940069 /nfs/dbraw/zinc/94/00/69/568940069.db2.gz IVAGAMLWHLJTAE-RUZDIDTESA-N 0 0 432.568 2.557 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2nc3ccc(Sc4ccccc4)nn3c2=O)c1 ZINC000064710026 568944605 /nfs/dbraw/zinc/94/46/05/568944605.db2.gz YGKMRXOTYQTGNM-UHFFFAOYSA-N 0 0 437.481 2.698 50 0 IFAARN COc1ccccc1CN(Cc1nc(C(=O)NCCN2CCOCC2)co1)[C@H](C)C(C)C ZINC000036069083 568945425 /nfs/dbraw/zinc/94/54/25/568945425.db2.gz TUHVNBLIFQTHOR-LJQANCHMSA-N 0 0 444.576 2.792 50 0 IFAARN CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccco1 ZINC000036073960 568946312 /nfs/dbraw/zinc/94/63/12/568946312.db2.gz RBSNOXWNFCBZIQ-UHFFFAOYSA-N 0 0 449.511 2.556 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036085290 568947933 /nfs/dbraw/zinc/94/79/33/568947933.db2.gz ZSEKEDGKNNMDKB-CYBMUJFWSA-N 0 0 430.867 2.763 50 0 IFAARN O=C(NCc1ccccc1)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2)c1=O ZINC000036085446 568947965 /nfs/dbraw/zinc/94/79/65/568947965.db2.gz RRQNRHHBZRYAFX-UHFFFAOYSA-N 0 0 430.439 2.512 50 0 IFAARN CCN(CC)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036087217 568948686 /nfs/dbraw/zinc/94/86/86/568948686.db2.gz QHZKKQRWTYHWLC-UHFFFAOYSA-N 0 0 442.903 2.587 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036087390 568948838 /nfs/dbraw/zinc/94/88/38/568948838.db2.gz ZSNKJYTWOACRHG-HNNXBMFYSA-N 0 0 426.904 2.933 50 0 IFAARN CCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036086603 568948995 /nfs/dbraw/zinc/94/89/95/568948995.db2.gz QRVUPYOJLFJMGJ-UHFFFAOYSA-N 0 0 432.402 2.519 50 0 IFAARN Cc1cccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3C)c2=O)c1 ZINC000036087000 568949301 /nfs/dbraw/zinc/94/93/01/568949301.db2.gz BGKMWNGKFJQAGD-UHFFFAOYSA-N 0 0 440.503 2.989 50 0 IFAARN CCN(CC)C(=O)c1nn(-c2cccc(F)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036088621 568949862 /nfs/dbraw/zinc/94/98/62/568949862.db2.gz JSZGDHOUIRFURS-UHFFFAOYSA-N 0 0 430.867 2.717 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)N3CCCC3)nn(-c3ccc(C)c(Cl)c3)c2=O)c1 ZINC000036089172 568949920 /nfs/dbraw/zinc/94/99/20/568949920.db2.gz KNRXJQNDGLLGMQ-UHFFFAOYSA-N 0 0 438.915 2.949 50 0 IFAARN CCCNC(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036089047 568950074 /nfs/dbraw/zinc/95/00/74/568950074.db2.gz MIMAKSOVJLZYDH-UHFFFAOYSA-N 0 0 430.867 2.683 50 0 IFAARN CCCNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036088204 568950267 /nfs/dbraw/zinc/95/02/67/568950267.db2.gz MAFCZNZHGCZDPS-UHFFFAOYSA-N 0 0 446.429 2.910 50 0 IFAARN Cc1c(CCC(=O)N[C@@H](C)c2ccc(F)cc2)c(C(=O)N2CCN(C)CC2)c(C)n1C ZINC000064756987 568951340 /nfs/dbraw/zinc/95/13/40/568951340.db2.gz CWHDPODCKVULFC-INIZCTEOSA-N 0 0 428.552 2.979 50 0 IFAARN Cc1cccc(N2CCN(C(=O)Cn3cc(-c4nnc(C(C)C)o4)ccc3=O)CC2)c1C ZINC000064759918 568952001 /nfs/dbraw/zinc/95/20/01/568952001.db2.gz NNTZPZUAFQCJNE-UHFFFAOYSA-N 0 0 435.528 2.987 50 0 IFAARN COCC(=O)N(CCN1CCOCC1)Cc1csc(COc2cccc(C)c2C)n1 ZINC000036107148 568953854 /nfs/dbraw/zinc/95/38/54/568953854.db2.gz PMQFZYKQPWSTTN-UHFFFAOYSA-N 0 0 433.574 2.646 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2nccnc21 ZINC000064775353 568954545 /nfs/dbraw/zinc/95/45/45/568954545.db2.gz HQKDGQRFPAULNZ-UHFFFAOYSA-N 0 0 429.480 2.511 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2nccnc21 ZINC000064775357 568954552 /nfs/dbraw/zinc/95/45/52/568954552.db2.gz HWZOTRUOSWVCFT-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(C)=O ZINC000036117595 568955930 /nfs/dbraw/zinc/95/59/30/568955930.db2.gz OHVXXLAXPOGGJS-SFHVURJKSA-N 0 0 432.542 2.756 50 0 IFAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)COC ZINC000036121876 568957983 /nfs/dbraw/zinc/95/79/83/568957983.db2.gz BSDLGZAFIWDPSL-LJQANCHMSA-N 0 0 446.569 2.683 50 0 IFAARN O=C(CN1c2nnnn2[C@H](c2ccc(Cl)cc2)C=C1c1ccccc1)N1CCOCC1 ZINC000064793568 568959695 /nfs/dbraw/zinc/95/96/95/568959695.db2.gz DCJKZJXWNJJFMF-FQEVSTJZSA-N 0 0 436.903 2.636 50 0 IFAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)NC[C@H]2CCCO2)n1C1CC1 ZINC000064794081 568959921 /nfs/dbraw/zinc/95/99/21/568959921.db2.gz VRSGAPGLFZIXLG-GFCCVEGCSA-N 0 0 430.559 2.859 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccccc1C ZINC000064817668 568964939 /nfs/dbraw/zinc/96/49/39/568964939.db2.gz ADQINNCHZOMWBQ-UHFFFAOYSA-N 0 0 449.486 2.823 50 0 IFAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)Nc3ccc(C)c(C)c3)n2)CC1 ZINC000064818139 568965119 /nfs/dbraw/zinc/96/51/19/568965119.db2.gz YFODLMKXGBHRQH-UHFFFAOYSA-N 0 0 447.539 2.834 50 0 IFAARN COCCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COCC(C)C ZINC000036156775 568965686 /nfs/dbraw/zinc/96/56/86/568965686.db2.gz SCNCDBWGDXERCD-INIZCTEOSA-N 0 0 437.606 2.735 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)cc(C)c2)cn1C ZINC000064819018 568965869 /nfs/dbraw/zinc/96/58/69/568965869.db2.gz KNHWLKAFQQERHA-SFHVURJKSA-N 0 0 433.530 2.610 50 0 IFAARN CCOc1cc(CNC(=O)Cn2nc(C)c3c(C)onc3c2=O)cc(OCC)c1OCC ZINC000064842130 568970578 /nfs/dbraw/zinc/97/05/78/568970578.db2.gz KRCVHCFWTYROJW-UHFFFAOYSA-N 0 0 444.488 2.514 50 0 IFAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccco2)CC1 ZINC000036208418 568973360 /nfs/dbraw/zinc/97/33/60/568973360.db2.gz QAGZHHVQEFBSEV-MGPUTAFESA-N 0 0 429.492 2.984 50 0 IFAARN O=C(N[C@H](C(=O)NC1CC1)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000036208735 568973588 /nfs/dbraw/zinc/97/35/88/568973588.db2.gz WLGILIAJINBKLR-NRFANRHFSA-N 0 0 441.478 2.894 50 0 IFAARN COc1cccc(C(=O)N2CCC([C@H](NC(=O)c3cccs3)C(=O)NC3CC3)CC2)c1 ZINC000036209539 568974188 /nfs/dbraw/zinc/97/41/88/568974188.db2.gz MJRGGKYBCWKNJR-FQEVSTJZSA-N 0 0 441.553 2.686 50 0 IFAARN COCCNC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036209967 568974441 /nfs/dbraw/zinc/97/44/41/568974441.db2.gz GBJLOBXPFVYUBP-HXUWFJFHSA-N 0 0 449.979 2.630 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000036210592 568975040 /nfs/dbraw/zinc/97/50/40/568975040.db2.gz JJSUZDVSJCEUKN-QFIPXVFZSA-N 0 0 429.561 2.701 50 0 IFAARN CC(C)NC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036211463 568975394 /nfs/dbraw/zinc/97/53/94/568975394.db2.gz UAKBWOPFTLWIIP-OAQYLSRUSA-N 0 0 445.560 2.713 50 0 IFAARN CCOC(=O)c1c(C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)n1C ZINC000064863185 568975415 /nfs/dbraw/zinc/97/54/15/568975415.db2.gz ZETXRBQBHLRIIB-UHFFFAOYSA-N 0 0 433.574 2.946 50 0 IFAARN COC(=O)CC1=CC(=O)N(CC(=O)NCc2cccc(OC)c2)c2cc(C)c(C)cc2N1 ZINC000064869438 568975966 /nfs/dbraw/zinc/97/59/66/568975966.db2.gz XJVKYIXQBYQZOW-UHFFFAOYSA-N 0 0 437.496 2.834 50 0 IFAARN COc1cccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000036210964 568976903 /nfs/dbraw/zinc/97/69/03/568976903.db2.gz APDCLVBZXHGBKS-QFIPXVFZSA-N 0 0 431.577 2.851 50 0 IFAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccco2)CC1 ZINC000036211079 568976934 /nfs/dbraw/zinc/97/69/34/568976934.db2.gz QCJLHFRUMMZGGX-IERDGZPVSA-N 0 0 441.528 2.854 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)NC(C)C)CC2)cc1 ZINC000036214007 568977081 /nfs/dbraw/zinc/97/70/81/568977081.db2.gz SCPNBKBMSZLOMP-NRFANRHFSA-N 0 0 444.576 2.636 50 0 IFAARN CCNC(=S)N1CCC([C@H](NC(=O)c2ccccc2C)C(=O)N2CCCCC2)CC1 ZINC000036214409 568977256 /nfs/dbraw/zinc/97/72/56/568977256.db2.gz OUMKGUPYYYTCMS-FQEVSTJZSA-N 0 0 430.618 2.712 50 0 IFAARN CCC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCCOC)c1 ZINC000036218433 568977548 /nfs/dbraw/zinc/97/75/48/568977548.db2.gz RUIQYDZMTXZBIT-SFTDATJTSA-N 0 0 425.485 2.860 50 0 IFAARN CC(C)NC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1 ZINC000036213615 568977609 /nfs/dbraw/zinc/97/76/09/568977609.db2.gz CDVGRDSLCMYMIE-JOCHJYFZSA-N 0 0 436.556 2.931 50 0 IFAARN CC(C)c1nnc2c(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n21 ZINC000064871749 568977952 /nfs/dbraw/zinc/97/79/52/568977952.db2.gz BHVNILMBUPNFIW-UHFFFAOYSA-N 0 0 448.502 2.656 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3nccnc32)c(C)c1 ZINC000064874386 568978666 /nfs/dbraw/zinc/97/86/66/568978666.db2.gz GLUBJEYHUIOUEF-UHFFFAOYSA-N 0 0 449.898 2.910 50 0 IFAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)NC(C)C)cc1OS(=O)(=O)C(C)C ZINC000006765381 568978809 /nfs/dbraw/zinc/97/88/09/568978809.db2.gz KOHDUHVGEQTNTD-KRWDZBQOSA-N 0 0 428.551 2.911 50 0 IFAARN CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2nccnc21 ZINC000064887573 568978967 /nfs/dbraw/zinc/97/89/67/568978967.db2.gz IWEPZLGATCZNNX-UHFFFAOYSA-N 0 0 449.898 2.856 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3nccnc32)c(C)c1 ZINC000064887709 568979087 /nfs/dbraw/zinc/97/90/87/568979087.db2.gz KYHPYCRPIKBAPS-UHFFFAOYSA-N 0 0 443.507 2.760 50 0 IFAARN COc1ccc(NC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000064888849 568979491 /nfs/dbraw/zinc/97/94/91/568979491.db2.gz XBMZPAHKFDSGKW-UHFFFAOYSA-N 0 0 428.514 2.858 50 0 IFAARN CC[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000064888582 568979718 /nfs/dbraw/zinc/97/97/18/568979718.db2.gz UJHSFFTVGYMXQK-FQEVSTJZSA-N 0 0 425.460 2.616 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000064889065 568980019 /nfs/dbraw/zinc/98/00/19/568980019.db2.gz NQTFDBCVDSHINS-UHFFFAOYSA-N 0 0 444.513 2.824 50 0 IFAARN CSc1cccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000064889201 568980229 /nfs/dbraw/zinc/98/02/29/568980229.db2.gz JDRVALLTBCVIKZ-UHFFFAOYSA-N 0 0 445.570 2.967 50 0 IFAARN O=C(CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(Cl)cc1 ZINC000064889157 568980235 /nfs/dbraw/zinc/98/02/35/568980235.db2.gz WGJIQUGKUDMCER-UHFFFAOYSA-N 0 0 447.948 2.576 50 0 IFAARN CC(C)Cn1c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccccc5)C4)n3)cc2[nH]c(=O)c1=O ZINC000064890903 568980958 /nfs/dbraw/zinc/98/09/58/568980958.db2.gz MZINGORVNOBNCS-MRXNPFEDSA-N 0 0 445.479 2.916 50 0 IFAARN CC(C)Cn1c2ccc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)cc2[nH]c(=O)c1=O ZINC000064890952 568980991 /nfs/dbraw/zinc/98/09/91/568980991.db2.gz PJRXDDLOIKAOJZ-AWEZNQCLSA-N 0 0 433.468 2.887 50 0 IFAARN O=C(CCn1nc(C(=O)N2CCc3ccccc32)ccc1=O)NCc1ccccc1Cl ZINC000064891622 568982619 /nfs/dbraw/zinc/98/26/19/568982619.db2.gz ICOINRKPLNOKKS-UHFFFAOYSA-N 0 0 436.899 2.806 50 0 IFAARN CCc1ccc(C(=O)N2CCN([C@H](C(=O)NC[C@@H]3CCCO3)C3CCCC3)CC2)cc1 ZINC000036254146 568984559 /nfs/dbraw/zinc/98/45/59/568984559.db2.gz YUXRSPRHBMKGEN-GOTSBHOMSA-N 0 0 427.589 2.861 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCCCCCC1)OCC(=O)N2 ZINC000064920767 568985389 /nfs/dbraw/zinc/98/53/89/568985389.db2.gz NOQDVFIDQHFHQM-GOSISDBHSA-N 0 0 449.573 2.708 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)cc1)O[C@H](C)C(=O)N2 ZINC000064920985 568985591 /nfs/dbraw/zinc/98/55/91/568985591.db2.gz UDEJZKSQDKFBPF-DYVFJYSZSA-N 0 0 447.488 2.645 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1)O[C@H](C)C(=O)N2 ZINC000064921123 568985703 /nfs/dbraw/zinc/98/57/03/568985703.db2.gz URAFHPXQOLAEIU-RHSMWYFYSA-N 0 0 429.498 2.506 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1 ZINC000064921720 568985772 /nfs/dbraw/zinc/98/57/72/568985772.db2.gz VWMUDTBZDIGVHS-HNNXBMFYSA-N 0 0 443.525 2.754 50 0 IFAARN Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)NCc1ccc(C)cc1 ZINC000064924968 568986386 /nfs/dbraw/zinc/98/63/86/568986386.db2.gz CWFNRQSFMJDLNX-UHFFFAOYSA-N 0 0 434.544 2.673 50 0 IFAARN CC(=O)c1cccc(NC(=O)CCc2c(C)nn(-c3cc(N4CCOCC4)ncn3)c2C)c1 ZINC000064925021 568986468 /nfs/dbraw/zinc/98/64/68/568986468.db2.gz HDQXVWMISYTPQQ-UHFFFAOYSA-N 0 0 448.527 2.890 50 0 IFAARN COc1cccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ncn2)c1 ZINC000064929274 568988171 /nfs/dbraw/zinc/98/81/71/568988171.db2.gz QXEPHAHQMLEEQU-UHFFFAOYSA-N 0 0 428.489 2.802 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1ccsc1 ZINC000169677072 568989504 /nfs/dbraw/zinc/98/95/04/568989504.db2.gz OPLRDBCRAWNQCH-KBXCAEBGSA-N 0 0 435.546 2.537 50 0 IFAARN O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ncccn3)C[C@@H]12 ZINC000169679311 568990833 /nfs/dbraw/zinc/99/08/33/568990833.db2.gz XYYCUXZNXHZJQG-MJGOQNOKSA-N 0 0 431.462 2.889 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@@H]1[C@@H](C(=O)NCc1ccccc1F)C2 ZINC000169679343 568991052 /nfs/dbraw/zinc/99/10/52/568991052.db2.gz AEFQDVDWNHRLHS-NZQKXSOJSA-N 0 0 447.514 2.808 50 0 IFAARN Cc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)n2)c1 ZINC000064943549 568992750 /nfs/dbraw/zinc/99/27/50/568992750.db2.gz ZOEWSLKYHIBWKJ-UHFFFAOYSA-N 0 0 431.901 2.985 50 0 IFAARN Cc1ccc(C(=O)N(CC2CC2)C[C@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)cc1 ZINC000169681952 568992779 /nfs/dbraw/zinc/99/27/79/568992779.db2.gz BDLNEFUNLKYOHH-ISKFKSNPSA-N 0 0 442.556 2.719 50 0 IFAARN O=C(NC[C@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036311093 568996847 /nfs/dbraw/zinc/99/68/47/568996847.db2.gz CINQYNNZIZNIII-NHCUHLMSSA-N 0 0 448.608 2.994 50 0 IFAARN CCCCNC(=O)c1ncn2c1C(=O)N(CCC)[C@](C)(C(=O)NCc1ccc(C)cc1)C2 ZINC000064953148 568997390 /nfs/dbraw/zinc/99/73/90/568997390.db2.gz BFCAABXESBBCNG-DEOSSOPVSA-N 0 0 439.560 2.662 50 0 IFAARN CCCCNC(=O)c1ncn2c1C(=O)N(CCC)[C@@](C)(C(=O)NCc1ccc(C)cc1)C2 ZINC000064953150 568997438 /nfs/dbraw/zinc/99/74/38/568997438.db2.gz BFCAABXESBBCNG-XMMPIXPASA-N 0 0 439.560 2.662 50 0 IFAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc3cccnc3s2)CC1 ZINC000064955320 568997555 /nfs/dbraw/zinc/99/75/55/568997555.db2.gz WBKXFQPUVMZPSK-UHFFFAOYSA-N 0 0 439.360 2.965 50 0 IFAARN Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NC2CCCC2)C3)cc1 ZINC000064954459 568997978 /nfs/dbraw/zinc/99/79/78/568997978.db2.gz FJCIUQAFNYFYBU-RUZDIDTESA-N 0 0 449.555 2.557 50 0 IFAARN Cc1cccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NC4CCCC4)c3C(=O)N2C2CC2)c1 ZINC000064954888 568998139 /nfs/dbraw/zinc/99/81/39/568998139.db2.gz BFSNDZRINVWGPZ-RUZDIDTESA-N 0 0 449.555 2.557 50 0 IFAARN O=C(CN1C(=O)COc2ccc(C(=O)NCc3ccc(Cl)cc3)cc21)N1CCCC1 ZINC000064956683 568998291 /nfs/dbraw/zinc/99/82/91/568998291.db2.gz LZJJYVOBXXEYFT-UHFFFAOYSA-N 0 0 427.888 2.618 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(C)cc4s3)CC2)c1 ZINC000064957514 568999098 /nfs/dbraw/zinc/99/90/98/568999098.db2.gz YPJVXECISYVLFW-UHFFFAOYSA-N 0 0 433.559 2.861 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)cc1 ZINC000169684182 569000061 /nfs/dbraw/zinc/00/00/61/569000061.db2.gz CWXHKHFGUVDCOK-CVEARBPZSA-N 0 0 443.525 2.754 50 0 IFAARN COc1cccc(NC(=O)Cn2cc(C(=O)N3CCCCC3)c(=O)c3ccc(C)nc32)c1 ZINC000064963746 569000797 /nfs/dbraw/zinc/00/07/97/569000797.db2.gz TXYKYUKUIIZUPY-UHFFFAOYSA-N 0 0 434.496 2.978 50 0 IFAARN Cc1nn(-c2ccc3nncn3n2)c(C)c1CCC(=O)NCCSCc1ccco1 ZINC000064977599 569077495 /nfs/dbraw/zinc/07/74/95/569077495.db2.gz RQTBFPXTNXVZDX-UHFFFAOYSA-N 0 0 425.518 2.502 50 0 IFAARN Cc1nc(C)c(Cc2cccc(F)c2)c(N2CCN(C[C@@H](O)COCC(C)C)CC2)n1 ZINC000036340173 569078624 /nfs/dbraw/zinc/07/86/24/569078624.db2.gz LVFPNXBYCSTZJV-JOCHJYFZSA-N 0 0 430.568 2.979 50 0 IFAARN Cc1nc(C)c(Cc2ccccc2F)c(N2CCN(C[C@@H](O)COCC(C)C)CC2)n1 ZINC000036340371 569078716 /nfs/dbraw/zinc/07/87/16/569078716.db2.gz ZCCRKLCYSDJDIZ-OAQYLSRUSA-N 0 0 430.568 2.979 50 0 IFAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CCOCC2)c1 ZINC000036344382 569080282 /nfs/dbraw/zinc/08/02/82/569080282.db2.gz VAPJVTAVSUGYIZ-OAQYLSRUSA-N 0 0 439.512 2.722 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc2c(cc1N1CCOCC1)Oc1ccccc1NC2=O ZINC000064986607 569082274 /nfs/dbraw/zinc/08/22/74/569082274.db2.gz GIIXDSABRXPKPM-UHFFFAOYSA-N 0 0 431.514 2.912 50 0 IFAARN COc1ccc(CNC(=O)c2ccc(-c3cc(N4CCOCC4)ncn3)cc2)c(OC)c1 ZINC000064989478 569083064 /nfs/dbraw/zinc/08/30/64/569083064.db2.gz XVIJAVJUKJXQEB-UHFFFAOYSA-N 0 0 434.496 2.927 50 0 IFAARN Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)C)O2 ZINC000064988629 569083701 /nfs/dbraw/zinc/08/37/01/569083701.db2.gz NEVPOKLOAQGSEF-FQEVSTJZSA-N 0 0 445.541 2.689 50 0 IFAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccccc1OCc1ccccn1)CC(=O)N2 ZINC000036358059 569084814 /nfs/dbraw/zinc/08/48/14/569084814.db2.gz ZEBSIYDBAYSDAF-QGZVFWFLSA-N 0 0 428.452 2.712 50 0 IFAARN Cc1ccc(N2CCN(C(=O)c3nn(-c4ccccc4)c4c3ncn(C)c4=O)CC2)c(C)c1 ZINC000064998225 569085147 /nfs/dbraw/zinc/08/51/47/569085147.db2.gz CICZZWXSARWVRG-UHFFFAOYSA-N 0 0 442.523 2.698 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O ZINC000064998722 569085504 /nfs/dbraw/zinc/08/55/04/569085504.db2.gz QDCVLTGVEDZUKU-UHFFFAOYSA-N 0 0 430.420 2.991 50 0 IFAARN O=C(Nc1nccs1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 ZINC000036365468 569086828 /nfs/dbraw/zinc/08/68/28/569086828.db2.gz IYJAFBWGRVYZTJ-OAHLLOKOSA-N 0 0 448.570 2.699 50 0 IFAARN Cc1c(S(=O)(=O)NCCC2CCN(C(=O)c3ccc(F)cc3)CC2)cnn1C(F)F ZINC000065007213 569087634 /nfs/dbraw/zinc/08/76/34/569087634.db2.gz JARRFQDXGDMYBX-UHFFFAOYSA-N 0 0 444.479 2.947 50 0 IFAARN Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)N4CCCCCC4)c(Cl)cc32)no1 ZINC000065022395 569088873 /nfs/dbraw/zinc/08/88/73/569088873.db2.gz OKOZVCSLCVZBRG-UHFFFAOYSA-N 0 0 440.909 2.522 50 0 IFAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)N4CCCC[C@H]4CC)c(C)cc32)no1 ZINC000065022641 569088970 /nfs/dbraw/zinc/08/89/70/569088970.db2.gz OGAMFYCSQFLOCA-OAHLLOKOSA-N 0 0 448.545 2.819 50 0 IFAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)N4CCCC[C@@H]4CC)c(C)cc32)no1 ZINC000065022640 569088971 /nfs/dbraw/zinc/08/89/71/569088971.db2.gz OGAMFYCSQFLOCA-HNNXBMFYSA-N 0 0 448.545 2.819 50 0 IFAARN Cc1cccc(OCC(=O)N2CCCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)c1 ZINC000065024480 569089625 /nfs/dbraw/zinc/08/96/25/569089625.db2.gz WMICVUJMVRUTFG-UHFFFAOYSA-N 0 0 442.560 2.598 50 0 IFAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4ccc(C)cc4)c(C)cc32)no1 ZINC000065022729 569089775 /nfs/dbraw/zinc/08/97/75/569089775.db2.gz WEEOMRHCPYLDNC-UHFFFAOYSA-N 0 0 442.497 2.975 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C)CC1)OCC(=O)N2Cc1noc(C2CC2)n1 ZINC000065022779 569089834 /nfs/dbraw/zinc/08/98/34/569089834.db2.gz CTHJHKSRILYRPF-UHFFFAOYSA-N 0 0 446.529 2.602 50 0 IFAARN COCCNC(=O)c1cc(COc2ccc(NC(=O)c3ccc(OC)cc3)cc2)on1 ZINC000065027335 569090221 /nfs/dbraw/zinc/09/02/21/569090221.db2.gz IBCJUUADOWTQJY-UHFFFAOYSA-N 0 0 425.441 2.891 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4cccc(C)c4)CC3)cc2sc1=O ZINC000065032758 569091552 /nfs/dbraw/zinc/09/15/52/569091552.db2.gz BFMUZLGPTRLZAE-UHFFFAOYSA-N 0 0 445.566 2.538 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2sc1=O ZINC000065032760 569091614 /nfs/dbraw/zinc/09/16/14/569091614.db2.gz IKGFLTYKRCKNGO-UHFFFAOYSA-N 0 0 445.566 2.538 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(n3cnc4ccc(F)cc4c3=O)CC2)c1 ZINC000065034599 569092101 /nfs/dbraw/zinc/09/21/01/569092101.db2.gz IIVHASCEHPAFHD-UHFFFAOYSA-N 0 0 447.488 2.579 50 0 IFAARN C[C@H](NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000036386004 569092913 /nfs/dbraw/zinc/09/29/13/569092913.db2.gz HORPRMLPRRCONZ-HOTGVXAUSA-N 0 0 437.512 2.537 50 0 IFAARN C[C@@H]1Oc2c(cccc2C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)[C@@H]1C ZINC000036387063 569093116 /nfs/dbraw/zinc/09/31/16/569093116.db2.gz UUILXVLLKFPRLU-CVEARBPZSA-N 0 0 429.542 2.759 50 0 IFAARN O=C(CN1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1)N1CCCC1 ZINC000036386844 569093353 /nfs/dbraw/zinc/09/33/53/569093353.db2.gz UXFQUXWYFPKGFN-UHFFFAOYSA-N 0 0 429.524 2.677 50 0 IFAARN O=C(CN1C2=C(C(=O)OC2)[C@H](c2ccc(Cl)cc2)NC1=O)Nc1ccc2c(c1)OCO2 ZINC000169758978 569093952 /nfs/dbraw/zinc/09/39/52/569093952.db2.gz UOHUFSSVKJELAF-IBGZPJMESA-N 0 0 441.827 2.585 50 0 IFAARN O=C(c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2)N1CCN(c2ccccc2)CC1 ZINC000169759613 569094278 /nfs/dbraw/zinc/09/42/78/569094278.db2.gz QROYDONBAFKXCG-QHCPKHFHSA-N 0 0 432.480 2.846 50 0 IFAARN COc1cccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccccc3Cl)NC2=O)c1 ZINC000169758051 569094290 /nfs/dbraw/zinc/09/42/90/569094290.db2.gz VKFUZUGEUYYCDM-HXUWFJFHSA-N 0 0 441.871 2.542 50 0 IFAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)cc1OC ZINC000169759869 569094679 /nfs/dbraw/zinc/09/46/79/569094679.db2.gz KMVRSOLENJBEFN-JOCHJYFZSA-N 0 0 437.452 2.831 50 0 IFAARN COCC(=O)NC[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1cccc(C)c1 ZINC000006874874 569094964 /nfs/dbraw/zinc/09/49/64/569094964.db2.gz NNTQDDVTZJQEOX-IBGZPJMESA-N 0 0 427.501 2.906 50 0 IFAARN CCn1c(=O)n(CC(=O)Nc2ccc(C)c(F)c2)c(=O)c2cnc(-c3ccccc3)nc21 ZINC000065057240 569095077 /nfs/dbraw/zinc/09/50/77/569095077.db2.gz KXBHDLOMNCSFLJ-UHFFFAOYSA-N 0 0 433.443 2.726 50 0 IFAARN CCc1cccc(NC(=O)Cn2c(=O)c3cnc(-c4ccc(C)cc4)nc3n(C)c2=O)c1 ZINC000065057212 569095112 /nfs/dbraw/zinc/09/51/12/569095112.db2.gz ODNYRTKBGNVYTQ-UHFFFAOYSA-N 0 0 429.480 2.667 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)c1 ZINC000065059564 569096190 /nfs/dbraw/zinc/09/61/90/569096190.db2.gz LZYKSDNCXXJPOQ-JOCHJYFZSA-N 0 0 432.542 2.811 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccccc2SCc2cccs2)CC1)N1CCOCC1 ZINC000036389549 569096512 /nfs/dbraw/zinc/09/65/12/569096512.db2.gz CLCQTUYYYAGSIF-UHFFFAOYSA-N 0 0 445.610 2.657 50 0 IFAARN CC(C)[C@@H](NC(=O)CN1CCN(c2nccs2)CC1)c1ccc2c(c1)OCCCO2 ZINC000036390032 569096686 /nfs/dbraw/zinc/09/66/86/569096686.db2.gz UCZGPXKTXMGHSH-OAQYLSRUSA-N 0 0 430.574 2.940 50 0 IFAARN CC(C)[C@H](NC(=O)CN1CCN(c2nccs2)CC1)c1ccc2c(c1)OCCCO2 ZINC000036390031 569096715 /nfs/dbraw/zinc/09/67/15/569096715.db2.gz UCZGPXKTXMGHSH-NRFANRHFSA-N 0 0 430.574 2.940 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@H]1CCCc2ccccc21 ZINC000036390557 569096782 /nfs/dbraw/zinc/09/67/82/569096782.db2.gz ZTXQMUAETZXQRX-BEFAXECRSA-N 0 0 430.526 2.709 50 0 IFAARN NC(=O)[C@@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c2ccccc2O1 ZINC000036392168 569098150 /nfs/dbraw/zinc/09/81/50/569098150.db2.gz BDDQVYNHTWZPRI-NZQKXSOJSA-N 0 0 433.533 2.975 50 0 IFAARN O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000036392017 569098214 /nfs/dbraw/zinc/09/82/14/569098214.db2.gz WDGAYMXZRVOJAE-LEWJYISDSA-N 0 0 438.528 2.530 50 0 IFAARN Cc1cc(Cl)c(C)c(S(=O)(=O)NCCCn2nc3n(c2=O)CCCC3)c1Cl ZINC000036394602 569098539 /nfs/dbraw/zinc/09/85/39/569098539.db2.gz DNQMKCCDAHQSHN-UHFFFAOYSA-N 0 0 433.361 2.673 50 0 IFAARN O=C(NCc1ccnc(N2CCCC2)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000036394647 569098542 /nfs/dbraw/zinc/09/85/42/569098542.db2.gz ITSNDZGXCKWRID-SFHVURJKSA-N 0 0 446.548 2.538 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)NCCn2nnc3cc(C(=O)NC(C)C)ccc32)c1 ZINC000065075626 569099623 /nfs/dbraw/zinc/09/96/23/569099623.db2.gz GKGZTSOHPIPMMJ-UHFFFAOYSA-N 0 0 438.488 2.568 50 0 IFAARN Cc1cccc(OCc2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCOCC3)no2)c1 ZINC000065076086 569100022 /nfs/dbraw/zinc/10/00/22/569100022.db2.gz DMNKBEMNSRVJGM-UHFFFAOYSA-N 0 0 448.483 2.618 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1nc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O ZINC000065076498 569100108 /nfs/dbraw/zinc/10/01/08/569100108.db2.gz FLLJHQRTMSZMKQ-INIZCTEOSA-N 0 0 432.480 2.872 50 0 IFAARN C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)C(=O)NCc1ccc(F)cc1 ZINC000065077651 569100395 /nfs/dbraw/zinc/10/03/95/569100395.db2.gz UARJEMIXZGGOOM-ZDUSSCGKSA-N 0 0 436.530 2.986 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)N1CCc2ccccc2C1 ZINC000065077104 569100458 /nfs/dbraw/zinc/10/04/58/569100458.db2.gz FDUQTTSSPMGVQP-UHFFFAOYSA-N 0 0 430.551 2.870 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000036397948 569100966 /nfs/dbraw/zinc/10/09/66/569100966.db2.gz STDRRONKXVDPJR-PMACEKPBSA-N 0 0 441.528 2.843 50 0 IFAARN CC(C)NC(=O)NC(=O)[C@H](C)Sc1nnc(N2CCC[C@H](C)C2)n1Cc1ccco1 ZINC000036398844 569101537 /nfs/dbraw/zinc/10/15/37/569101537.db2.gz IAPURFYWWVBNBM-GJZGRUSLSA-N 0 0 434.566 2.871 50 0 IFAARN CC(C)c1nc2ccccc2n1CCNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O ZINC000169772696 569101645 /nfs/dbraw/zinc/10/16/45/569101645.db2.gz VHQYZBCEFIKJEI-LJQANCHMSA-N 0 0 433.512 2.807 50 0 IFAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)N1CCN(c2ccc(F)cc2)CC1)CCCCC3 ZINC000169778623 569102721 /nfs/dbraw/zinc/10/27/21/569102721.db2.gz MAXYMJLXGLBWQZ-UHFFFAOYSA-N 0 0 437.519 2.721 50 0 IFAARN CCCc1noc(-c2cn(C3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)nn2)n1 ZINC000169777404 569102913 /nfs/dbraw/zinc/10/29/13/569102913.db2.gz JTFULQPRSGMKFU-UHFFFAOYSA-N 0 0 426.477 2.775 50 0 IFAARN Cc1nc(-c2c(=O)n(Cc3ccc(Br)cc3)c(=O)n3c2CCCCC3)no1 ZINC000169780189 569103006 /nfs/dbraw/zinc/10/30/06/569103006.db2.gz AWVJQCOOINJWTA-UHFFFAOYSA-N 0 0 431.290 2.906 50 0 IFAARN COc1ccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccccc3Cl)NC2=O)cc1 ZINC000169780813 569103119 /nfs/dbraw/zinc/10/31/19/569103119.db2.gz UOXCFBRFTTYCIZ-FQEVSTJZSA-N 0 0 441.871 2.542 50 0 IFAARN Cc1ccc(N2CCN(C(=O)CCn3ccn4nc5c(c4c3=O)CCCC5)CC2)c(C)c1 ZINC000169779618 569103282 /nfs/dbraw/zinc/10/32/82/569103282.db2.gz GKMHEMLUCNHLQT-UHFFFAOYSA-N 0 0 433.556 2.731 50 0 IFAARN CC(C)n1c2ccc(S(=O)(=O)N3CCC(CC(=O)N4CCCC4)CC3)cc2oc1=O ZINC000065086076 569103338 /nfs/dbraw/zinc/10/33/38/569103338.db2.gz MKLWNOAJIDLAGJ-UHFFFAOYSA-N 0 0 435.546 2.589 50 0 IFAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)cc1C ZINC000169781419 569103440 /nfs/dbraw/zinc/10/34/40/569103440.db2.gz LCZPZJAOKAUCDT-UHFFFAOYSA-N 0 0 430.464 2.939 50 0 IFAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)cc1 ZINC000065097393 569103772 /nfs/dbraw/zinc/10/37/72/569103772.db2.gz UDXXOSMJJVJRGM-UHFFFAOYSA-N 0 0 432.527 2.821 50 0 IFAARN COc1ccc(CNS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)cc1 ZINC000065097392 569103874 /nfs/dbraw/zinc/10/38/74/569103874.db2.gz SSRYRTFPJQFEAX-UHFFFAOYSA-N 0 0 448.526 2.521 50 0 IFAARN O=C(c1nc(-c2csc(S(=O)(=O)N3CCc4ccccc43)c2)no1)N1CCCC1 ZINC000065097390 569103880 /nfs/dbraw/zinc/10/38/80/569103880.db2.gz PKBRGVLZMSSMNN-UHFFFAOYSA-N 0 0 430.511 2.786 50 0 IFAARN O=C(c1nnc(-c2csc(S(=O)(=O)NCCc3ccccc3)c2)o1)N1CCCCC1 ZINC000065098961 569104931 /nfs/dbraw/zinc/10/49/31/569104931.db2.gz RAMOMUODPJIWCK-UHFFFAOYSA-N 0 0 446.554 2.945 50 0 IFAARN O=C(Cn1nc2ccc(C(=O)NCc3ccccc3)cn2c1=O)Nc1cccc(Cl)c1 ZINC000065100192 569105407 /nfs/dbraw/zinc/10/54/07/569105407.db2.gz MOZAGJIUZBBMEB-UHFFFAOYSA-N 0 0 435.871 2.718 50 0 IFAARN O=C(Cn1nc2ccc(C(=O)NCc3ccccc3)cn2c1=O)Nc1ccc(Cl)cc1 ZINC000065100195 569105448 /nfs/dbraw/zinc/10/54/48/569105448.db2.gz HXTLTNHQXZZJAL-UHFFFAOYSA-N 0 0 435.871 2.718 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)Nc4ccc(C)cc4C)c(=O)n3c2)cc1 ZINC000065100319 569105482 /nfs/dbraw/zinc/10/54/82/569105482.db2.gz BHHOLEZDQKFCKU-UHFFFAOYSA-N 0 0 443.507 2.990 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)cc1C ZINC000065100221 569105506 /nfs/dbraw/zinc/10/55/06/569105506.db2.gz CDGCZRKSURYNPQ-UHFFFAOYSA-N 0 0 429.480 2.682 50 0 IFAARN Cc1cccc(NC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)c1C ZINC000065100299 569105513 /nfs/dbraw/zinc/10/55/13/569105513.db2.gz XUVKMOMGVUWTHZ-UHFFFAOYSA-N 0 0 429.480 2.682 50 0 IFAARN CSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)NC1CCCC1 ZINC000065100530 569105609 /nfs/dbraw/zinc/10/56/09/569105609.db2.gz WVTREPOSVJLNJC-UHFFFAOYSA-N 0 0 430.555 2.698 50 0 IFAARN CCc1ccc(-n2c(=O)c3sc(SC)nc3n(CC(=O)N[C@H](C)CC)c2=O)cc1 ZINC000065100614 569105618 /nfs/dbraw/zinc/10/56/18/569105618.db2.gz ORZULOMLKOKCGM-GFCCVEGCSA-N 0 0 432.571 2.808 50 0 IFAARN O=C1[C@@H](N2CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)CCN1CC1CC1 ZINC000169792381 569105838 /nfs/dbraw/zinc/10/58/38/569105838.db2.gz NWJXKWLXKWGAGC-SFHVURJKSA-N 0 0 446.400 2.701 50 0 IFAARN Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)c1 ZINC000169795477 569108681 /nfs/dbraw/zinc/10/86/81/569108681.db2.gz VGRCWJOEFPUCRH-CRAIPNDOSA-N 0 0 443.525 2.815 50 0 IFAARN Cn1nc(-c2csc(S(=O)(=O)NCc3cccc(Br)c3)c2)ccc1=O ZINC000065128978 569108775 /nfs/dbraw/zinc/10/87/75/569108775.db2.gz YKHFLDAKKDOYML-UHFFFAOYSA-N 0 0 440.344 2.750 50 0 IFAARN CC(C)c1nnc(-c2cccnc2N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)o1 ZINC000065117946 569108932 /nfs/dbraw/zinc/10/89/32/569108932.db2.gz LRRIBCSUPFRCKJ-LJQANCHMSA-N 0 0 435.484 2.744 50 0 IFAARN COc1cccc(S(=O)(=O)N2CCN(c3ncccc3-c3nnc(C(C)C)o3)CC2)c1 ZINC000065118129 569108938 /nfs/dbraw/zinc/10/89/38/569108938.db2.gz LFYJFNLCJVHURS-UHFFFAOYSA-N 0 0 443.529 2.775 50 0 IFAARN CC1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)CC1 ZINC000169794614 569109091 /nfs/dbraw/zinc/10/90/91/569109091.db2.gz TXLPZYBQBWHSCW-GMRIPVOYSA-N 0 0 449.573 2.502 50 0 IFAARN CCN1CCN(Cc2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)C(=O)C1=O ZINC000065130498 569109179 /nfs/dbraw/zinc/10/91/79/569109179.db2.gz RLKRTWIGFLLBAX-UHFFFAOYSA-N 0 0 433.430 2.826 50 0 IFAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)C1 ZINC000065132137 569109803 /nfs/dbraw/zinc/10/98/03/569109803.db2.gz PKICTWUQWCJBRC-KRWDZBQOSA-N 0 0 445.564 2.767 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nccn3c2=O)cc1 ZINC000065150662 569111198 /nfs/dbraw/zinc/11/11/98/569111198.db2.gz GLAFGYSOQQROJK-UHFFFAOYSA-N 0 0 447.451 2.807 50 0 IFAARN COc1ccc(C(NC(=O)CN2CCN(c3ncccn3)CC2)c2ccc(OC)cc2)cc1 ZINC000036450947 569111302 /nfs/dbraw/zinc/11/13/02/569111302.db2.gz QNEKOQWMNYUZGV-UHFFFAOYSA-N 0 0 447.539 2.522 50 0 IFAARN Cn1cc(C(=O)NCc2ccc(F)c(Cl)c2)c(S(=O)(=O)N2CCCCCC2)n1 ZINC000065152402 569111960 /nfs/dbraw/zinc/11/19/60/569111960.db2.gz AEONEZUUNMOQSJ-UHFFFAOYSA-N 0 0 428.917 2.707 50 0 IFAARN CC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(Br)o1)[C@H](C(=O)N(C)C)C2 ZINC000065167367 569112599 /nfs/dbraw/zinc/11/25/99/569112599.db2.gz XRDFJNPAOBLHJW-HNNXBMFYSA-N 0 0 434.290 2.656 50 0 IFAARN CCn1cc(CCN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c2cccnc21 ZINC000065164824 569112840 /nfs/dbraw/zinc/11/28/40/569112840.db2.gz YZRTZHKUAYWXDQ-UHFFFAOYSA-N 0 0 434.512 2.883 50 0 IFAARN CC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)c(N2CCOCC2)c1 ZINC000065166082 569113025 /nfs/dbraw/zinc/11/30/25/569113025.db2.gz MNXZFJJLXNBZDN-UHFFFAOYSA-N 0 0 426.492 2.583 50 0 IFAARN COc1cccc(CNC(=O)C2=NN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)c1 ZINC000065183454 569113848 /nfs/dbraw/zinc/11/38/48/569113848.db2.gz INICMJQBUAJHJT-UHFFFAOYSA-N 0 0 436.493 2.954 50 0 IFAARN CCc1nn2c(nc(C)c2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000065183729 569113947 /nfs/dbraw/zinc/11/39/47/569113947.db2.gz YRICCLUXJJBLAA-UHFFFAOYSA-N 0 0 425.967 2.826 50 0 IFAARN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)Nc4ccc5c(c4)OCCO5)CC3=O)ccc21 ZINC000065195399 569115452 /nfs/dbraw/zinc/11/54/52/569115452.db2.gz QMDDHJLKFSELMY-INIZCTEOSA-N 0 0 435.480 2.749 50 0 IFAARN COc1cccc(N2CCN(c3nc(C(=O)N4CCN(C(C)C)CC4)cs3)CC2)c1 ZINC000065211598 569116696 /nfs/dbraw/zinc/11/66/96/569116696.db2.gz QSIOGGSJMWXGMN-UHFFFAOYSA-N 0 0 429.590 2.645 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3ncccc3-c3noc(CC)n3)C2)CC1 ZINC000065227737 569117478 /nfs/dbraw/zinc/11/74/78/569117478.db2.gz LYFIXUSHDQCKKZ-KRWDZBQOSA-N 0 0 441.532 2.712 50 0 IFAARN Cc1cccc(S(=O)(=O)N2C[C@H]3CN(C(=O)C45CC6CC(CC(C6)C4)C5)C[C@@H](C2)O3)c1 ZINC000065225108 569117775 /nfs/dbraw/zinc/11/77/75/569117775.db2.gz BMBIPBXAXHZXJE-SNIMZYAASA-N 0 0 444.597 2.812 50 0 IFAARN CCOc1ccc([C@H](C)NC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1 ZINC000065226788 569118009 /nfs/dbraw/zinc/11/80/09/569118009.db2.gz VOBCYLGRDUCWGV-SFHVURJKSA-N 0 0 439.560 2.806 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1F ZINC000036569684 569118332 /nfs/dbraw/zinc/11/83/32/569118332.db2.gz ALCVYUZHQVXZOY-SJLPKXTDSA-N 0 0 436.509 2.509 50 0 IFAARN COc1cccc(CNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)c1 ZINC000065241553 569118759 /nfs/dbraw/zinc/11/87/59/569118759.db2.gz STKPURXEPDWMFT-UHFFFAOYSA-N 0 0 425.466 2.951 50 0 IFAARN Cc1oc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc1C(=O)N1CCSCC1 ZINC000065232295 569118967 /nfs/dbraw/zinc/11/89/67/569118967.db2.gz TYWHIGPTWPCYOF-UHFFFAOYSA-N 0 0 443.525 2.921 50 0 IFAARN O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000065237228 569119618 /nfs/dbraw/zinc/11/96/18/569119618.db2.gz FUJPVKILAYWDHH-UHFFFAOYSA-N 0 0 449.477 2.865 50 0 IFAARN COc1cc2cc(C(=O)N[C@@H](C(=O)Nc3ccccn3)C(C)C)[nH]c2c(OC)c1OC ZINC000036580006 569119776 /nfs/dbraw/zinc/11/97/76/569119776.db2.gz CMYKNMFTLZGZFJ-QGZVFWFLSA-N 0 0 426.473 2.982 50 0 IFAARN C=C1C(N2CCC(NC(=O)[C@@H]3CCCO3)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239215 569120194 /nfs/dbraw/zinc/12/01/94/569120194.db2.gz PAHMQDAWLCDFKJ-KRWDZBQOSA-N 0 0 437.949 2.573 50 0 IFAARN Cc1c(S(=O)(=O)NCCCn2nc3c(c2C(F)(F)F)CCC3)cnn1C(F)F ZINC000036614562 569122242 /nfs/dbraw/zinc/12/22/42/569122242.db2.gz SIXDHSQQQZXILA-UHFFFAOYSA-N 0 0 427.399 2.659 50 0 IFAARN C=C1C(N2CCCN(C(=O)[C@H]3CCCO3)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239477 569120496 /nfs/dbraw/zinc/12/04/96/569120496.db2.gz PNGGAZSTIJROPT-QGZVFWFLSA-N 0 0 437.949 2.526 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)ncn3)C2)CC1 ZINC000065245268 569121739 /nfs/dbraw/zinc/12/17/39/569121739.db2.gz NRXDHTIRSVZOFG-KRWDZBQOSA-N 0 0 429.565 2.849 50 0 IFAARN O=S(=O)(c1ccc(-c2nnc(C3CCCC3)o2)o1)N1CCN(c2ccccn2)CC1 ZINC000065246446 569121774 /nfs/dbraw/zinc/12/17/74/569121774.db2.gz OHJINDTXJGAGRJ-UHFFFAOYSA-N 0 0 429.502 2.893 50 0 IFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C5CC5)o4)o3)CC2)cc1 ZINC000065246351 569121845 /nfs/dbraw/zinc/12/18/45/569121845.db2.gz KOFAGVLZRVCSHC-UHFFFAOYSA-N 0 0 442.497 2.921 50 0 IFAARN CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCN(C(=O)OCC)CC3)C2)ncn1 ZINC000065242401 569122020 /nfs/dbraw/zinc/12/20/20/569122020.db2.gz CUVUPJGBZQDAFY-SFHVURJKSA-N 0 0 432.569 2.596 50 0 IFAARN O=C1CCCN1c1ccc(S(=O)(=O)NCCn2nc(C(F)F)cc2C(F)F)cc1 ZINC000036614614 569122278 /nfs/dbraw/zinc/12/22/78/569122278.db2.gz MYNITKYPKITKHD-UHFFFAOYSA-N 0 0 434.415 2.864 50 0 IFAARN O=C(NCc1ccc(Cl)cc1)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1 ZINC000065254297 569122526 /nfs/dbraw/zinc/12/25/26/569122526.db2.gz VZRMOYMSBKDHPB-UHFFFAOYSA-N 0 0 445.932 2.635 50 0 IFAARN CC1CCN(c2nc(C(=O)N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)CC1 ZINC000065257074 569123314 /nfs/dbraw/zinc/12/33/14/569123314.db2.gz RVWYHYKNNFXJAG-UHFFFAOYSA-N 0 0 433.560 2.558 50 0 IFAARN CSCC[C@@H](C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524732387 569126781 /nfs/dbraw/zinc/12/67/81/569126781.db2.gz XWKIEHVJDKOHKX-LZFQIVBZSA-N 0 0 431.558 2.550 50 0 IFAARN COc1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)cc1-c1nnc(C)o1 ZINC000524732689 569127436 /nfs/dbraw/zinc/12/74/36/569127436.db2.gz IXZVDBGSLZKWFC-KRWDZBQOSA-N 0 0 435.440 2.523 50 0 IFAARN CSCC[C@@H](C(=O)Nc1cccc(-c2nc[nH]n2)c1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524734089 569127506 /nfs/dbraw/zinc/12/75/06/569127506.db2.gz VJWKGJVBHADIRJ-KRWDZBQOSA-N 0 0 436.497 2.820 50 0 IFAARN O=C(NCCCn1cccn1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000065270969 569127735 /nfs/dbraw/zinc/12/77/35/569127735.db2.gz YOYUEOUKNXBZFX-UHFFFAOYSA-N 0 0 444.470 2.853 50 0 IFAARN CCNc1cc(N2CCC(CCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)ncn1 ZINC000065274029 569128274 /nfs/dbraw/zinc/12/82/74/569128274.db2.gz QTWVIEQCHBXLIE-UHFFFAOYSA-N 0 0 446.596 2.984 50 0 IFAARN C=C1C(N2CCC(NC(=O)NCc3ccco3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065271806 569128625 /nfs/dbraw/zinc/12/86/25/569128625.db2.gz OBFKALCVHPPCPY-UHFFFAOYSA-N 0 0 446.504 2.855 50 0 IFAARN CCCn1cc(CNC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c(C)n1 ZINC000065272845 569129225 /nfs/dbraw/zinc/12/92/25/569129225.db2.gz XVTUJVMWLYBZJF-INIZCTEOSA-N 0 0 430.574 2.557 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccc(C)cc2)CC3)CC1 ZINC000065273549 569129780 /nfs/dbraw/zinc/12/97/80/569129780.db2.gz SRMIIMIUQJYQPN-SFHVURJKSA-N 0 0 426.586 2.931 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2cccc(C)c2)CC3)CC1 ZINC000065273556 569129782 /nfs/dbraw/zinc/12/97/82/569129782.db2.gz IQNDWNBLSJWADV-GOSISDBHSA-N 0 0 426.586 2.931 50 0 IFAARN O=C(NCCn1ncc2c1ncn(Cc1ccccc1)c2=O)c1cc(-c2cccs2)n[nH]1 ZINC000036653116 569130058 /nfs/dbraw/zinc/13/00/58/569130058.db2.gz RSEGXLKYARNIKF-UHFFFAOYSA-N 0 0 445.508 2.523 50 0 IFAARN CCSc1nc2c(cnn2CCNC(=O)/C=C/c2cccs2)c(N2CCOCC2)n1 ZINC000036655799 569130295 /nfs/dbraw/zinc/13/02/95/569130295.db2.gz NVEJCHXICNUNKD-AATRIKPKSA-N 0 0 444.586 2.666 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000036656096 569130297 /nfs/dbraw/zinc/13/02/97/569130297.db2.gz QAMHBISDJNNOCY-NRFANRHFSA-N 0 0 430.526 2.930 50 0 IFAARN CCC(=O)N1CC[C@@](CC)(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000065292017 569130623 /nfs/dbraw/zinc/13/06/23/569130623.db2.gz BWUQISMCURXXMW-LJQANCHMSA-N 0 0 447.523 2.803 50 0 IFAARN CC(C)Cn1c2ccccc2n2nc(C(=O)N(C)CC(=O)N3CCCCCC3)cc2c1=O ZINC000065292419 569130715 /nfs/dbraw/zinc/13/07/15/569130715.db2.gz YVWRSBCDWJFYEY-UHFFFAOYSA-N 0 0 437.544 2.780 50 0 IFAARN CN(C)c1cccc(C(=O)N2CCCN([C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000065293273 569130908 /nfs/dbraw/zinc/13/09/08/569130908.db2.gz SLKIBGQYAMVNSB-HSZRJFAPSA-N 0 0 438.547 2.841 50 0 IFAARN Cc1ccccc1S(=O)(=O)N1CCCN([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293355 569131035 /nfs/dbraw/zinc/13/10/35/569131035.db2.gz JIJRGUBZMUHJRB-OAQYLSRUSA-N 0 0 445.560 2.632 50 0 IFAARN O=C(NCc1cccc(F)c1)N1CCCN([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293349 569131056 /nfs/dbraw/zinc/13/10/56/569131056.db2.gz ZELUYHRFKUYAMB-JOCHJYFZSA-N 0 0 442.510 2.983 50 0 IFAARN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)N3CCC4(CC3)OCCO4)sc12 ZINC000065293996 569131166 /nfs/dbraw/zinc/13/11/66/569131166.db2.gz MBKCCNVJXUMYPE-UHFFFAOYSA-N 0 0 441.557 2.901 50 0 IFAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1)NCCC1=CCCCC1 ZINC000065295779 569131511 /nfs/dbraw/zinc/13/15/11/569131511.db2.gz JGNRLMUIMXKHEU-UHFFFAOYSA-N 0 0 446.559 2.555 50 0 IFAARN CCOCC(=O)NC1CCN(c2nc3c(s2)c(C)nn3-c2ccc(OC)cc2)CC1 ZINC000065299462 569132134 /nfs/dbraw/zinc/13/21/34/569132134.db2.gz YMQZBRNPZUERJH-UHFFFAOYSA-N 0 0 429.546 2.921 50 0 IFAARN CC(=O)Nc1nsc(N2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)n1 ZINC000065307661 569132524 /nfs/dbraw/zinc/13/25/24/569132524.db2.gz XPBUGKDVNCSEIK-UHFFFAOYSA-N 0 0 442.589 2.679 50 0 IFAARN O=C(Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O)NCc1ccc(F)c(Cl)c1 ZINC000065308139 569132701 /nfs/dbraw/zinc/13/27/01/569132701.db2.gz XZYUOTGIVMEGKI-UHFFFAOYSA-N 0 0 444.829 2.883 50 0 IFAARN Cc1cc2nn(CC(=O)NCc3ccc(F)cc3)c(=O)n2c(Nc2ccc(F)c(C)c2)n1 ZINC000065307889 569132718 /nfs/dbraw/zinc/13/27/18/569132718.db2.gz OWIPMAUJHMFZDZ-UHFFFAOYSA-N 0 0 438.438 2.846 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(Cc3ccsc3)CC2)C(C)C)cc1 ZINC000036686531 569132857 /nfs/dbraw/zinc/13/28/57/569132857.db2.gz IOEUDMRBIXOYOU-FQEVSTJZSA-N 0 0 435.615 2.704 50 0 IFAARN O=C(NCc1ccccn1)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 ZINC000065305117 569132915 /nfs/dbraw/zinc/13/29/15/569132915.db2.gz GKNMAHZCGFIXFS-UHFFFAOYSA-N 0 0 441.513 2.626 50 0 IFAARN Cc1ccc(CNC(=O)Cn2nc3n(c4ccsc4c(=O)n3CCC(C)C)c2=O)cc1 ZINC000065305147 569132922 /nfs/dbraw/zinc/13/29/22/569132922.db2.gz GGUJOPKXZXTKMF-UHFFFAOYSA-N 0 0 439.541 2.543 50 0 IFAARN CC(C)CCn1c2nn(CC(=O)Nc3ccc(F)cc3)c(=O)n2c2ccsc2c1=O ZINC000065305149 569132930 /nfs/dbraw/zinc/13/29/30/569132930.db2.gz JNPVDBRRDSAFHU-UHFFFAOYSA-N 0 0 429.477 2.696 50 0 IFAARN Cc1cc(C)cc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)c1 ZINC000065305245 569133022 /nfs/dbraw/zinc/13/30/22/569133022.db2.gz YSXORUUIGGIRSS-UHFFFAOYSA-N 0 0 425.514 2.784 50 0 IFAARN Cc1ccc(C)c(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3Cc3ccco3)c2=O)c1 ZINC000065305529 569133319 /nfs/dbraw/zinc/13/33/19/569133319.db2.gz MNXQMUZIVHKESS-UHFFFAOYSA-N 0 0 449.492 2.769 50 0 IFAARN C[C@H](NC(=O)c1ccc(CN2CCN(Cc3ccccn3)C(=O)C2=O)cc1)c1ccccc1 ZINC000065306518 569133364 /nfs/dbraw/zinc/13/33/64/569133364.db2.gz MDGFLPDDMHLYEM-IBGZPJMESA-N 0 0 442.519 2.944 50 0 IFAARN COc1ccc(CC(=O)N2CCN(c3cc(C(C)C)n4cnnc4n3)CC2)cc1Cl ZINC000065311967 569133686 /nfs/dbraw/zinc/13/36/86/569133686.db2.gz IWMRGBVABDYSCH-UHFFFAOYSA-N 0 0 428.924 2.801 50 0 IFAARN CN(CCc1ccccn1)C(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311461 569133775 /nfs/dbraw/zinc/13/37/75/569133775.db2.gz PMJNKKYVLFXCRQ-UHFFFAOYSA-N 0 0 431.540 2.604 50 0 IFAARN CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000036690318 569133851 /nfs/dbraw/zinc/13/38/51/569133851.db2.gz BOZALBIGZPGGPZ-UHFFFAOYSA-N 0 0 431.539 2.984 50 0 IFAARN COc1cccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCOCC5)c4c3)CC2)c1 ZINC000065315735 569134210 /nfs/dbraw/zinc/13/42/10/569134210.db2.gz ASPDABYMYHAIHC-UHFFFAOYSA-N 0 0 448.523 2.835 50 0 IFAARN COC(=O)C1CCN(C(=O)Cc2c(C)nc(S[C@H](C)c3ccccc3)[nH]c2=O)CC1 ZINC000036705188 569134381 /nfs/dbraw/zinc/13/43/81/569134381.db2.gz HUMGOGOHKUSQIH-OAHLLOKOSA-N 0 0 429.542 2.886 50 0 IFAARN Cc1cccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)ccc2C)c1 ZINC000065319058 569134723 /nfs/dbraw/zinc/13/47/23/569134723.db2.gz FXXFXGCVFYXXHU-UHFFFAOYSA-N 0 0 442.497 2.627 50 0 IFAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3nnc4c(Cl)cccn43)C2)c1OC ZINC000065312720 569134953 /nfs/dbraw/zinc/13/49/53/569134953.db2.gz UPWHQDZNIJAPHB-OAHLLOKOSA-N 0 0 429.908 2.933 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3nnc4c(Cl)cccn43)C2)c1 ZINC000065312716 569135047 /nfs/dbraw/zinc/13/50/47/569135047.db2.gz WSGHOKSVEWSXRJ-CQSZACIVSA-N 0 0 429.908 2.933 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)c(OC)c1 ZINC000065312935 569135055 /nfs/dbraw/zinc/13/50/55/569135055.db2.gz KKUPFWAVJRTUBS-HNNXBMFYSA-N 0 0 429.908 2.933 50 0 IFAARN COc1ccccc1OCCNC(=O)C1CCN(c2nnc3ccc(Cl)cn32)CC1 ZINC000065312488 569135059 /nfs/dbraw/zinc/13/50/59/569135059.db2.gz QXBQDZVCFGSMAK-UHFFFAOYSA-N 0 0 429.908 2.803 50 0 IFAARN COc1ccc2c(c1)CCN(C(=O)c1cc(-c3ccco3)n([C@@H]3CCS(=O)(=O)C3)n1)C2 ZINC000036708437 569135841 /nfs/dbraw/zinc/13/58/41/569135841.db2.gz ZIVCYEMLJQXMAF-QGZVFWFLSA-N 0 0 441.509 2.710 50 0 IFAARN Cc1c(C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)nnn1-c1ccc(F)cc1 ZINC000238858385 569137436 /nfs/dbraw/zinc/13/74/36/569137436.db2.gz KFXXGRSGSBZDGI-UHFFFAOYSA-N 0 0 438.850 2.575 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC[C@H](Oc3ncccc3Br)C2)cc1F ZINC000238874871 569137547 /nfs/dbraw/zinc/13/75/47/569137547.db2.gz NUEVMQBACDBQBB-NSHDSACASA-N 0 0 431.283 2.834 50 0 IFAARN C[C@@H](O)CC(C)(C)CNS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000170591781 569141011 /nfs/dbraw/zinc/14/10/11/569141011.db2.gz UNSABAWDEYVIBX-QGZVFWFLSA-N 0 0 426.579 2.752 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)c(C)c1 ZINC000037222228 569141065 /nfs/dbraw/zinc/14/10/65/569141065.db2.gz OASAQHDLNKFWOJ-QFIPXVFZSA-N 0 0 427.570 2.630 50 0 IFAARN COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000170594152 569141384 /nfs/dbraw/zinc/14/13/84/569141384.db2.gz RTXKBEWYXOBFMZ-HNAYVOBHSA-N 0 0 425.932 2.712 50 0 IFAARN COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000170597360 569142101 /nfs/dbraw/zinc/14/21/01/569142101.db2.gz YCJCADYRKJCOOY-HOCLYGCPSA-N 0 0 429.439 2.693 50 0 IFAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)CC(=O)N(CC)CC ZINC000170599248 569142386 /nfs/dbraw/zinc/14/23/86/569142386.db2.gz PHWBLBJZODQXFR-UHFFFAOYSA-N 0 0 438.377 2.842 50 0 IFAARN CCc1csc(NC2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)n1 ZINC000170598404 569142402 /nfs/dbraw/zinc/14/24/02/569142402.db2.gz CVAJEOISIDHEDZ-UHFFFAOYSA-N 0 0 434.587 2.863 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(CC1CCC1)[C@H](C)CO ZINC000170601842 569143099 /nfs/dbraw/zinc/14/30/99/569143099.db2.gz QKUJQDKFQCPFNT-QGZVFWFLSA-N 0 0 438.590 2.883 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(CC1CCC1)[C@@H](C)CO ZINC000170601841 569143163 /nfs/dbraw/zinc/14/31/63/569143163.db2.gz QKUJQDKFQCPFNT-KRWDZBQOSA-N 0 0 438.590 2.883 50 0 IFAARN C[C@@H](O)CN1CCN(C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)CC1 ZINC000170602437 569143309 /nfs/dbraw/zinc/14/33/09/569143309.db2.gz CWAAAWIQAWMERX-GOSISDBHSA-N 0 0 433.618 2.708 50 0 IFAARN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCc2nc(-c3ccco3)n[nH]2)C1(C)C ZINC000170602257 569143444 /nfs/dbraw/zinc/14/34/44/569143444.db2.gz NZBIDGBQSKLTTQ-QRQCRPRQSA-N 0 0 447.536 2.822 50 0 IFAARN C[C@](O)(CNc1cc(NC[C@@](C)(O)c2ccsc2)n2ncnc2n1)c1ccsc1 ZINC000170603438 569143491 /nfs/dbraw/zinc/14/34/91/569143491.db2.gz DLOIWHRBXODWAC-RBUKOAKNSA-N 0 0 430.559 2.887 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCC(O)CC2)c1)c1ncoc1-c1ccccc1 ZINC000170604250 569143618 /nfs/dbraw/zinc/14/36/18/569143618.db2.gz DFXBEKKCIWFQAA-UHFFFAOYSA-N 0 0 427.482 2.739 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)N(C)[C@H](COC)Cc2ccccc2)cc1OCC ZINC000170609891 569144917 /nfs/dbraw/zinc/14/49/17/569144917.db2.gz QDTVKFODYJJSFR-FQEVSTJZSA-N 0 0 428.529 2.930 50 0 IFAARN COc1cc(I)c(Cl)cc1C(=O)N[C@H](CO)Cc1ccccn1 ZINC000170610157 569145033 /nfs/dbraw/zinc/14/50/33/569145033.db2.gz IBSZHEPBKDHKFK-NSHDSACASA-N 0 0 446.672 2.682 50 0 IFAARN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000170614597 569146321 /nfs/dbraw/zinc/14/63/21/569146321.db2.gz SVZLVFYHCGABKS-JOCHJYFZSA-N 0 0 445.535 2.759 50 0 IFAARN COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CCc2nnc(-c3ccc(O)cc3)n2C1 ZINC000170614614 569146325 /nfs/dbraw/zinc/14/63/25/569146325.db2.gz KYASXBRYNJISTQ-OAHLLOKOSA-N 0 0 438.484 2.555 50 0 IFAARN CCOC(=O)[C@H](NC(=O)CNC(=O)CC(C)(C)C)c1c(C)nn(Cc2ccccc2)c1C ZINC000170614371 569146379 /nfs/dbraw/zinc/14/63/79/569146379.db2.gz AKCBXIKAYYCPGG-JOCHJYFZSA-N 0 0 442.560 2.821 50 0 IFAARN CC(C)(C)c1cc(NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)n(-c2ccccn2)n1 ZINC000170618505 569146989 /nfs/dbraw/zinc/14/69/89/569146989.db2.gz VTTZLRKDJHMHPC-UHFFFAOYSA-N 0 0 435.410 2.901 50 0 IFAARN O=c1nc2n(nc1-c1ccccc1)[C@@]1(CCCS(=O)(=O)C1)Nc1ccc(Cl)cc1-2 ZINC000170620090 569147739 /nfs/dbraw/zinc/14/77/39/569147739.db2.gz FVJFHWGJBCPOLL-HXUWFJFHSA-N 0 0 428.901 2.913 50 0 IFAARN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1 ZINC000170623414 569148232 /nfs/dbraw/zinc/14/82/32/569148232.db2.gz HQRJZZXNJAIODW-INIZCTEOSA-N 0 0 439.917 2.840 50 0 IFAARN CS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cc1 ZINC000170626254 569148636 /nfs/dbraw/zinc/14/86/36/569148636.db2.gz VGMBGJOLZBGJRP-UHFFFAOYSA-N 0 0 435.299 2.624 50 0 IFAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(-n2nnc(C(=O)N3CCCC3)n2)cc1 ZINC000071001623 569149237 /nfs/dbraw/zinc/14/92/37/569149237.db2.gz OVPOTQOAVKDQPL-UHFFFAOYSA-N 0 0 426.864 2.569 50 0 IFAARN COCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000009883225 569149969 /nfs/dbraw/zinc/14/99/69/569149969.db2.gz DHJLSXINCCUMBE-UHFFFAOYSA-N 0 0 432.420 2.592 50 0 IFAARN CCCn1c(CSc2nnc(C3CC3)n2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009909419 569150305 /nfs/dbraw/zinc/15/03/05/569150305.db2.gz KNIDPINQXXDFMZ-UHFFFAOYSA-N 0 0 434.591 2.995 50 0 IFAARN CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)[C@@H]1CCCc2ccccc21 ZINC000009884262 569150361 /nfs/dbraw/zinc/15/03/61/569150361.db2.gz OSASQRIDCHXHTP-HOYKHHGWSA-N 0 0 435.480 2.718 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)c1ccc2c(c1)CCCC2 ZINC000009909168 569150639 /nfs/dbraw/zinc/15/06/39/569150639.db2.gz DFFNQWBMLTVKLK-SGANQWHYSA-N 0 0 449.507 2.939 50 0 IFAARN CN1C(=O)N(CC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)C(=O)C12CCCCC2 ZINC000071285152 569150804 /nfs/dbraw/zinc/15/08/04/569150804.db2.gz AJQHWGSHBAABKD-UHFFFAOYSA-N 0 0 433.936 2.747 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccc(OC)cc34)n2)cc1 ZINC000071288079 569150901 /nfs/dbraw/zinc/15/09/01/569150901.db2.gz DJUOJXUKFFHTDB-UHFFFAOYSA-N 0 0 432.480 2.768 50 0 IFAARN O=C([O-])[C@@H](CC(=O)Nc1cccc(O)c1)C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000071282840 569151047 /nfs/dbraw/zinc/15/10/47/569151047.db2.gz IVTUGQKEHDXXIJ-KRWDZBQOSA-N 0 0 431.920 2.893 50 0 IFAARN Nc1nc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)nc(Nc2ccc(F)cc2)n1 ZINC000010026761 569151695 /nfs/dbraw/zinc/15/16/95/569151695.db2.gz UKHMDZYAMQMVCP-JOCHJYFZSA-N 0 0 433.447 2.620 50 0 IFAARN O=S(=O)(c1ccc(Cl)c(NC2=NN=C(c3ccc[nH]3)CS2)c1)N1CCOCC1 ZINC000010029690 569151924 /nfs/dbraw/zinc/15/19/24/569151924.db2.gz JAAOBHDFBZSJJM-UHFFFAOYSA-N 0 0 439.950 2.608 50 0 IFAARN COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1OC ZINC000010058931 569151941 /nfs/dbraw/zinc/15/19/41/569151941.db2.gz UUQAMEOWADLEFX-UHFFFAOYSA-N 0 0 442.537 2.836 50 0 IFAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1C ZINC000010220590 569152917 /nfs/dbraw/zinc/15/29/17/569152917.db2.gz OLQATJYUMLYXIA-UHFFFAOYSA-N 0 0 442.497 2.627 50 0 IFAARN CCn1c(C)cc(O)c(C(c2ccc(O)c(OC)c2)c2c(O)cc(C)n(CC)c2=O)c1=O ZINC000010217744 569153393 /nfs/dbraw/zinc/15/33/93/569153393.db2.gz OOLHUFOWPRRKGU-UHFFFAOYSA-N 0 0 440.496 2.972 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)c1 ZINC000010254914 569153844 /nfs/dbraw/zinc/15/38/44/569153844.db2.gz XSUSEYANNQECII-UHFFFAOYSA-N 0 0 442.497 2.595 50 0 IFAARN COc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(CSc2nccc(C)n2)cc1=O ZINC000010254978 569153922 /nfs/dbraw/zinc/15/39/22/569153922.db2.gz HNGMBPCXHJMLKZ-UHFFFAOYSA-N 0 0 440.481 2.615 50 0 IFAARN COc1cn(CC(=O)Nc2cccc(NC(C)=O)c2)c(CSc2ncccn2)cc1=O ZINC000010254955 569153936 /nfs/dbraw/zinc/15/39/36/569153936.db2.gz ZEHHITDMYCEMST-UHFFFAOYSA-N 0 0 439.497 2.536 50 0 IFAARN COc1cn(CC(=O)N2CCc3ccccc32)c(CSc2nnc(C)s2)cc1=O ZINC000010254742 569154193 /nfs/dbraw/zinc/15/41/93/569154193.db2.gz RMJBIOFIJIXUBG-UHFFFAOYSA-N 0 0 428.539 2.898 50 0 IFAARN COc1cn(CC(=O)NCc2ccccc2Cl)c(CSc2nccn2C)cc1=O ZINC000010254715 569154216 /nfs/dbraw/zinc/15/42/16/569154216.db2.gz NQMJTOGYOPSBKV-UHFFFAOYSA-N 0 0 432.933 2.853 50 0 IFAARN Cc1nc2ccc(C(=O)Nc3ccccc3C(=O)N3CCC(C(N)=O)CC3)cc2nc1C ZINC000071818901 569154614 /nfs/dbraw/zinc/15/46/14/569154614.db2.gz SZURUCHASNVSEZ-UHFFFAOYSA-N 0 0 431.496 2.836 50 0 IFAARN CCCCOc1ccccc1/C=c1\sc2nc(=O)c(Cc3ccc(F)cc3)nn2c1=O ZINC000013750279 569156880 /nfs/dbraw/zinc/15/68/80/569156880.db2.gz AOJCPJIMKDCIHR-ZHZULCJRSA-N 0 0 437.496 2.968 50 0 IFAARN CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)nc1-c1ccccc1 ZINC000013790069 569157017 /nfs/dbraw/zinc/15/70/17/569157017.db2.gz FVWAOEXBZGMAPI-AWEZNQCLSA-N 0 0 437.543 2.597 50 0 IFAARN COc1cc(CC(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc(OC)c1OC ZINC000014121647 569157807 /nfs/dbraw/zinc/15/78/07/569157807.db2.gz ZEZICMUMNLWHRX-ZIAGYGMSSA-N 0 0 435.546 2.959 50 0 IFAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 ZINC000014117815 569157809 /nfs/dbraw/zinc/15/78/09/569157809.db2.gz KLJOETQJBDXRLM-DEOSSOPVSA-N 0 0 434.496 2.501 50 0 IFAARN O=S(=O)(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc2c(c1)CCCC2 ZINC000014100953 569157814 /nfs/dbraw/zinc/15/78/14/569157814.db2.gz SAFPNIUZSIVJPP-UHFFFAOYSA-N 0 0 440.612 2.890 50 0 IFAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O ZINC000014171353 569157915 /nfs/dbraw/zinc/15/79/15/569157915.db2.gz HQCBMQJCWVRIGK-INIZCTEOSA-N 0 0 425.485 2.910 50 0 IFAARN COc1ccc2cc(C(=O)OCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)ccc2c1 ZINC000014189282 569158103 /nfs/dbraw/zinc/15/81/03/569158103.db2.gz FFFKGWAVGIVIOS-HXUWFJFHSA-N 0 0 445.537 2.964 50 0 IFAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014371164 569158778 /nfs/dbraw/zinc/15/87/78/569158778.db2.gz GLUMQLMBNRHPEJ-UHFFFAOYSA-N 0 0 428.489 2.635 50 0 IFAARN Cc1cc(C(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)ccc1S(N)(=O)=O ZINC000089591282 569159671 /nfs/dbraw/zinc/15/96/71/569159671.db2.gz SVEXLVDBMAKQEN-MRXNPFEDSA-N 0 0 448.545 2.856 50 0 IFAARN Cc1cncn1CCCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C ZINC000089643151 569160324 /nfs/dbraw/zinc/16/03/24/569160324.db2.gz FCZCBUZDLRQENK-UHFFFAOYSA-N 0 0 426.542 2.799 50 0 IFAARN CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OC)cc3OC)ccc21 ZINC000016837536 569162598 /nfs/dbraw/zinc/16/25/98/569162598.db2.gz IODHJUCTLZVZCZ-UHFFFAOYSA-N 0 0 440.543 2.607 50 0 IFAARN COc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(OC)c(OC)c3)nn2)cc1 ZINC000016838938 569162895 /nfs/dbraw/zinc/16/28/95/569162895.db2.gz NXSIOCSHEBPKSB-UHFFFAOYSA-N 0 0 445.497 2.527 50 0 IFAARN Cc1ccc(Cn2c(SCC(=O)Nc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000016839484 569163021 /nfs/dbraw/zinc/16/30/21/569163021.db2.gz MUBKEFKJZRTFKE-UHFFFAOYSA-N 0 0 435.509 2.511 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)c(OC)c1 ZINC000016843614 569163739 /nfs/dbraw/zinc/16/37/39/569163739.db2.gz OHFSKJPOJJHROW-UHFFFAOYSA-N 0 0 443.529 2.972 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)cc1 ZINC000016845399 569163752 /nfs/dbraw/zinc/16/37/52/569163752.db2.gz KRDIQQFRXJDAGH-UHFFFAOYSA-N 0 0 429.502 2.597 50 0 IFAARN O=C([C@H]1CCCN1Cc1ccnc(-c2ccc(Br)cc2)n1)N1CCOCC1 ZINC000089793868 569164071 /nfs/dbraw/zinc/16/40/71/569164071.db2.gz WORMKLISAYJDIV-GOSISDBHSA-N 0 0 431.334 2.729 50 0 IFAARN COC(=O)c1cc(-c2cccc(NC(C)=O)c2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000016850586 569164767 /nfs/dbraw/zinc/16/47/67/569164767.db2.gz DYPVXRZSVUFKAE-INIZCTEOSA-N 0 0 442.497 2.511 50 0 IFAARN O=S(=O)(c1ccc2c(c1)nc(-c1cccs1)n2C[C@H]1CCCO1)N1CCOCC1 ZINC000089800084 569164924 /nfs/dbraw/zinc/16/49/24/569164924.db2.gz KKTZUWVGNYNTLW-OAHLLOKOSA-N 0 0 433.555 2.965 50 0 IFAARN O=C(CCc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NCCc1c[nH]c2ccccc12 ZINC000016851312 569164999 /nfs/dbraw/zinc/16/49/99/569164999.db2.gz PLOWZJOYRLKVER-UHFFFAOYSA-N 0 0 435.509 2.857 50 0 IFAARN O=C(COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)NCc1ccccc1 ZINC000089835033 569165363 /nfs/dbraw/zinc/16/53/63/569165363.db2.gz MLPYQZMGYWEOAP-UHFFFAOYSA-N 0 0 427.460 2.918 50 0 IFAARN O=C(COC(=O)c1cccs1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000089878783 569166586 /nfs/dbraw/zinc/16/65/86/569166586.db2.gz WRDMYAFMCJFJOI-UHFFFAOYSA-N 0 0 444.534 2.591 50 0 IFAARN C[C@@H](O)C[C@H]1CCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000089895234 569166803 /nfs/dbraw/zinc/16/68/03/569166803.db2.gz VJQLMTWIDHYBCW-NVXWUHKLSA-N 0 0 438.571 2.714 50 0 IFAARN COc1ccc([C@@H](CNC(=O)CCC(=O)N[C@@H](C)c2ccccc2)N2CCOCC2)cc1 ZINC000089905551 569167176 /nfs/dbraw/zinc/16/71/76/569167176.db2.gz NHDAVPBWXWQGCW-WMZHIEFXSA-N 0 0 439.556 2.842 50 0 IFAARN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc2n1CCCC2 ZINC000089913821 569167339 /nfs/dbraw/zinc/16/73/39/569167339.db2.gz OIKLKPULFPDSBX-KRWDZBQOSA-N 0 0 445.589 2.599 50 0 IFAARN COc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c3=O)cc1 ZINC000016955128 569167598 /nfs/dbraw/zinc/16/75/98/569167598.db2.gz RCIBUGPNKDPBEU-UHFFFAOYSA-N 0 0 444.373 2.643 50 0 IFAARN COc1ccc([C@H](CNC(=O)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)N2CCOCC2)cc1 ZINC000089919338 569167716 /nfs/dbraw/zinc/16/77/16/569167716.db2.gz QIYOYRQKOMCVEB-GBXCKJPGSA-N 0 0 447.576 2.974 50 0 IFAARN COc1ccc([C@@H](CNC(=O)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)N2CCOCC2)cc1 ZINC000089919340 569167773 /nfs/dbraw/zinc/16/77/73/569167773.db2.gz QIYOYRQKOMCVEB-HYBUGGRVSA-N 0 0 447.576 2.974 50 0 IFAARN COc1cn(CC(=O)Nc2ccccc2)c(CN2CCN(c3ccccc3)CC2)cc1=O ZINC000016974754 569168687 /nfs/dbraw/zinc/16/86/87/569168687.db2.gz ZBCTXQTVBNCOLI-UHFFFAOYSA-N 0 0 432.524 2.818 50 0 IFAARN COc1ccc([C@@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1 ZINC000089954543 569168807 /nfs/dbraw/zinc/16/88/07/569168807.db2.gz SILDRNKRNVYBDM-DHIUTWEWSA-N 0 0 444.553 2.665 50 0 IFAARN CCN1C[C@H](CN(C)C[C@H](O)COc2ccc(C(C)=O)cc2OC)Oc2ccccc21 ZINC000089977169 569169373 /nfs/dbraw/zinc/16/93/73/569169373.db2.gz QSGVEDDHVXAIEO-PMACEKPBSA-N 0 0 428.529 2.857 50 0 IFAARN COc1c2ccc(C(=O)N3CCC[C@H](S(=O)(=O)c4ccc(F)cc4)C3)cc2nn1C ZINC000207983476 569170129 /nfs/dbraw/zinc/17/01/29/569170129.db2.gz ADSSYKFDKJCGHE-KRWDZBQOSA-N 0 0 431.489 2.800 50 0 IFAARN CCOc1ccc(-c2nc(CC(=O)N[C@H]3CCN(c4cc(C)nn4C)C3=O)cs2)cc1 ZINC000089991208 569170171 /nfs/dbraw/zinc/17/01/71/569170171.db2.gz CWYBOWNMGMQWBH-SFHVURJKSA-N 0 0 439.541 2.715 50 0 IFAARN Cc1nn(S(=O)(=O)c2ccc(C)c(C)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000017053190 569171967 /nfs/dbraw/zinc/17/19/67/569171967.db2.gz ABNGENOGYOYCOG-UHFFFAOYSA-N 0 0 425.576 2.774 50 0 IFAARN CC(C)CNC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017113222 569174142 /nfs/dbraw/zinc/17/41/42/569174142.db2.gz PZYVMPKMICSIEQ-INIZCTEOSA-N 0 0 428.963 2.805 50 0 IFAARN O=C(NCCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000017112981 569174164 /nfs/dbraw/zinc/17/41/64/569174164.db2.gz PAXRTTAATHHGOH-UHFFFAOYSA-N 0 0 425.913 2.738 50 0 IFAARN O=C(Nc1ccccc1)c1ccc(N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)nn1 ZINC000170634089 569174351 /nfs/dbraw/zinc/17/43/51/569174351.db2.gz NZEHLJUUBWPOMB-JOCHJYFZSA-N 0 0 442.523 2.656 50 0 IFAARN O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCCC1 ZINC000017169670 569175259 /nfs/dbraw/zinc/17/52/59/569175259.db2.gz YVMWOTNFNVOBRO-LJQANCHMSA-N 0 0 436.505 2.889 50 0 IFAARN O=C(Nc1nc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)cs1)NC1CCCCC1 ZINC000017169629 569175262 /nfs/dbraw/zinc/17/52/62/569175262.db2.gz UMTHOIGMSIUPJJ-UHFFFAOYSA-N 0 0 445.545 2.717 50 0 IFAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCC1 ZINC000017169988 569175358 /nfs/dbraw/zinc/17/53/58/569175358.db2.gz REPRFTMCDYRUQL-GOSISDBHSA-N 0 0 438.546 2.967 50 0 IFAARN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)c(OC)c1 ZINC000001076596 569176715 /nfs/dbraw/zinc/17/67/15/569176715.db2.gz XFDWUUHLFKJJLG-UHFFFAOYSA-N 0 0 436.530 2.964 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NC[C@H]1CCCO1 ZINC000002875525 569177544 /nfs/dbraw/zinc/17/75/44/569177544.db2.gz AMCPVUKZKCWNCH-LJQANCHMSA-N 0 0 430.526 2.502 50 0 IFAARN O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000170637029 569178315 /nfs/dbraw/zinc/17/83/15/569178315.db2.gz JLQSSKAGTRDQKL-CVEARBPZSA-N 0 0 425.963 2.692 50 0 IFAARN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002092947 569178972 /nfs/dbraw/zinc/17/89/72/569178972.db2.gz BJUDTNWKMRPVDS-NRDMVMEKSA-N 0 0 436.556 2.503 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H]1c1cccs1 ZINC000252445398 569183929 /nfs/dbraw/zinc/18/39/29/569183929.db2.gz NOOGSQKYXXLPNB-LPHOPBHVSA-N 0 0 449.598 2.933 50 0 IFAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N4CCC(C(N)=O)CC4)ccc32)cc1 ZINC000002124666 569183934 /nfs/dbraw/zinc/18/39/34/569183934.db2.gz LVGHNELIBYKSRW-UHFFFAOYSA-N 0 0 436.464 2.571 50 0 IFAARN CCOc1ccc(CN2CCN(CN3C(=O)N[C@@]4(C3=O)[C@H](C)CCC[C@@H]4C)CC2)cc1 ZINC000252457349 569184401 /nfs/dbraw/zinc/18/44/01/569184401.db2.gz AYWFUCMFKXESGH-HROJSSOGSA-N 0 0 428.577 2.907 50 0 IFAARN C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(CN1CCC(NC(=O)c3ccc(F)cc3)CC1)C2=O ZINC000252457197 569184411 /nfs/dbraw/zinc/18/44/11/569184411.db2.gz MGBTXWOJJFFUEO-MICWEPACSA-N 0 0 430.524 2.724 50 0 IFAARN O=C(COc1ccccc1)N1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)c2ccccc2)CC1 ZINC000252467297 569184799 /nfs/dbraw/zinc/18/47/99/569184799.db2.gz ASROYFSLDLAPQF-FUDKSRODSA-N 0 0 449.551 2.914 50 0 IFAARN CN1CCN(c2ncc(CN3CCN(C(=O)OC(C)(C)C)Cc4ccccc43)cn2)CC1 ZINC000252480109 569186123 /nfs/dbraw/zinc/18/61/23/569186123.db2.gz BVTXKGOOPDWZLI-UHFFFAOYSA-N 0 0 438.576 2.986 50 0 IFAARN O=C(c1ccc(OCC2CCOCC2)nc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000252483373 569186564 /nfs/dbraw/zinc/18/65/64/569186564.db2.gz DZWFXXGOIAMNQQ-UHFFFAOYSA-N 0 0 439.512 2.574 50 0 IFAARN O=C(NCCn1cccc1)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000524733625 569188732 /nfs/dbraw/zinc/18/87/32/569188732.db2.gz WWCGBHVYFOWNAL-QGZVFWFLSA-N 0 0 432.933 2.795 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000002161273 569188930 /nfs/dbraw/zinc/18/89/30/569188930.db2.gz ZAPZGWLDIUSHIH-LJQANCHMSA-N 0 0 438.871 2.610 50 0 IFAARN Cc1ccc(C(=O)Nc2cccnc2N2CCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000170651433 569189804 /nfs/dbraw/zinc/18/98/04/569189804.db2.gz YJEMQCSBLCGGMG-UHFFFAOYSA-N 0 0 444.557 2.654 50 0 IFAARN CCOC(=O)c1csc(NC(=O)CC[C@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)n1 ZINC000252537628 569189995 /nfs/dbraw/zinc/18/99/95/569189995.db2.gz LWUIKRNTMCKLDC-CYBMUJFWSA-N 0 0 434.449 2.503 50 0 IFAARN CCn1cc(C(=O)N[C@H](C)C(=O)Nc2ccc(OC)cc2)c(=O)c2cc3c(cc21)OCO3 ZINC000209085994 569190375 /nfs/dbraw/zinc/19/03/75/569190375.db2.gz DSZOBGKJSDTEHN-CYBMUJFWSA-N 0 0 437.452 2.516 50 0 IFAARN O=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCc1ccc(O)cc1 ZINC000252550549 569190936 /nfs/dbraw/zinc/19/09/36/569190936.db2.gz SSAPRFVHKODNEE-OAQYLSRUSA-N 0 0 434.496 2.680 50 0 IFAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1 ZINC000252552207 569191007 /nfs/dbraw/zinc/19/10/07/569191007.db2.gz URNVCQHOXBBQFU-GOSISDBHSA-N 0 0 443.467 2.800 50 0 IFAARN CCS(=O)(=O)N1CCN(c2nc(C)nc(COC)c2Cc2ccc(Cl)cc2)CC1 ZINC000037399803 569194710 /nfs/dbraw/zinc/19/47/10/569194710.db2.gz RUJILQPUTFVAHI-UHFFFAOYSA-N 0 0 438.981 2.647 50 0 IFAARN COc1ccc(S(=O)(=O)Oc2cc(CN(C[C@H]3CCCO3)C(C)=O)ccc2OC)cc1 ZINC000037399961 569194816 /nfs/dbraw/zinc/19/48/16/569194816.db2.gz XGMYXHDLONKABU-LJQANCHMSA-N 0 0 449.525 2.999 50 0 IFAARN COCC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(OC)cc2)c1)C[C@H]1CCCO1 ZINC000037400927 569195042 /nfs/dbraw/zinc/19/50/42/569195042.db2.gz ISXBOBDLDSTARS-HXUWFJFHSA-N 0 0 449.525 2.617 50 0 IFAARN CCS(=O)(=O)Oc1cc(CN(CCOC)C(=O)c2cccc(F)c2)ccc1OC ZINC000037400855 569195045 /nfs/dbraw/zinc/19/50/45/569195045.db2.gz GJZRYQLEGWUDRU-UHFFFAOYSA-N 0 0 425.478 2.852 50 0 IFAARN COCCNC(=O)CCN(CCOC)C(=O)c1csc(Nc2ccccc2Cl)n1 ZINC000037427274 569195915 /nfs/dbraw/zinc/19/59/15/569195915.db2.gz ZIXZFHZVYUIZNQ-UHFFFAOYSA-N 0 0 440.953 2.781 50 0 IFAARN O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3)cc21)NCC1CC1 ZINC000037512758 569198149 /nfs/dbraw/zinc/19/81/49/569198149.db2.gz JRLJCVWJBQRRII-UHFFFAOYSA-N 0 0 428.872 2.853 50 0 IFAARN COc1cc(C)ccc1OCC(=O)c1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)CO2 ZINC000037519811 569198172 /nfs/dbraw/zinc/19/81/72/569198172.db2.gz YJSODEMJHTYLLU-UHFFFAOYSA-N 0 0 438.480 2.613 50 0 IFAARN CCCCNC(=O)N1C[C@@H](C(=O)N2CCN(C(C)=O)CC2)CC[C@H]1c1ccc(F)cc1 ZINC000037546183 569200126 /nfs/dbraw/zinc/20/01/26/569200126.db2.gz HQABTSSRMNNXSF-FPOVZHCZSA-N 0 0 432.540 2.779 50 0 IFAARN COC(=O)c1ccc(Cn2cnc3c2c(=O)n(CC2CC2)c(=O)n3-c2ccccc2)cc1 ZINC000037559236 569200766 /nfs/dbraw/zinc/20/07/66/569200766.db2.gz JJCCOGPOENUSHG-UHFFFAOYSA-N 0 0 430.464 2.594 50 0 IFAARN CCn1c(=O)c2c(ncn2Cc2ccc(C(=O)OC)cc2)n(-c2ccc(Cl)cc2)c1=O ZINC000037558941 569200802 /nfs/dbraw/zinc/20/08/02/569200802.db2.gz WVNLYESWRODBIG-UHFFFAOYSA-N 0 0 438.871 2.857 50 0 IFAARN Cc1ccc(CN2CCCn3nc(C(=O)N[C@H](C)C(=O)NCCC(C)C)cc3C2=O)cc1 ZINC000037578207 569201589 /nfs/dbraw/zinc/20/15/89/569201589.db2.gz UDCYTVOUYGBFMP-GOSISDBHSA-N 0 0 439.560 2.518 50 0 IFAARN CC1CCN(c2nc3c(c(N4CCOCC4)n2)CN(C(=O)c2cccs2)CC3)CC1 ZINC000037580141 569201844 /nfs/dbraw/zinc/20/18/44/569201844.db2.gz LIXBHBIFLJOUCR-UHFFFAOYSA-N 0 0 427.574 2.810 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)OCCOC)sc1NC(=O)CN1CCC[C@@H](C)C1 ZINC000007787464 569203298 /nfs/dbraw/zinc/20/32/98/569203298.db2.gz YJHXYAVOOYAVLE-CYBMUJFWSA-N 0 0 426.535 2.707 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@@H]1c1ccccc1Cl ZINC000002218007 569204080 /nfs/dbraw/zinc/20/40/80/569204080.db2.gz KADHZCPRMDDKGI-DYVFJYSZSA-N 0 0 430.888 2.857 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@H]1c1ccccc1Cl ZINC000002218008 569204123 /nfs/dbraw/zinc/20/41/23/569204123.db2.gz KADHZCPRMDDKGI-SUMWQHHRSA-N 0 0 430.888 2.857 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000195529580 569204213 /nfs/dbraw/zinc/20/42/13/569204213.db2.gz QDBMTCJGDUIWFK-HFMPRLQTSA-N 0 0 444.620 2.520 50 0 IFAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000017635772 569206833 /nfs/dbraw/zinc/20/68/33/569206833.db2.gz AMDKNBOBUZRZSN-INIZCTEOSA-N 0 0 429.473 2.604 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252668988 569209829 /nfs/dbraw/zinc/20/98/29/569209829.db2.gz GCSRYIUBFIRDKF-OAQYLSRUSA-N 0 0 434.517 2.807 50 0 IFAARN COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1OC ZINC000002232526 569210790 /nfs/dbraw/zinc/21/07/90/569210790.db2.gz AVGCHVXIXLJDLL-INIZCTEOSA-N 0 0 431.489 2.799 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 ZINC000002232087 569210814 /nfs/dbraw/zinc/21/08/14/569210814.db2.gz BNQWFBYQJUWALC-WTGUMLROSA-N 0 0 435.867 2.946 50 0 IFAARN COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@H]4[C@@H](C)C(=O)C[C@H]2c2ccco2)c1 ZINC000252694979 569210991 /nfs/dbraw/zinc/21/09/91/569210991.db2.gz SOLPERFSTZHDQZ-RYSRMXOGSA-N 0 0 448.475 2.728 50 0 IFAARN CC1(C)O[C@H]2[C@@H](O1)[C@H](COC(=O)c1ccccc1)OCO[C@H]2COC(=O)c1ccccc1 ZINC000017000822 569256954 /nfs/dbraw/zinc/25/69/54/569256954.db2.gz PWLCYBVEONJDMJ-XSDIEEQYSA-N 0 0 442.464 2.962 50 0 IFAARN COc1cc([C@@H]2c3cc4c(cc3O[C@@](C)(O)[C@@H]2C(C)=O)OCO4)cc(OC)c1OC(C)=O ZINC000039315033 569257767 /nfs/dbraw/zinc/25/77/67/569257767.db2.gz JAVOWJHRXAWIGR-MQSCRBSSSA-N 0 0 444.436 2.796 50 0 IFAARN CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCc3ccccc32)C1 ZINC000253392732 569264464 /nfs/dbraw/zinc/26/44/64/569264464.db2.gz YXRPIOJLXYRXIS-XMMPIXPASA-N 0 0 439.560 2.619 50 0 IFAARN Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 ZINC000002291113 569267889 /nfs/dbraw/zinc/26/78/89/569267889.db2.gz BQOJXHMOVAWEJV-AWEZNQCLSA-N 0 0 431.452 2.793 50 0 IFAARN COc1ccccc1C(=O)N/C(=C/c1ccc(Br)cc1)C(=O)NCCCO ZINC000002296588 569268273 /nfs/dbraw/zinc/26/82/73/569268273.db2.gz GIGOTERDVGGELR-GHRIWEEISA-N 0 0 433.302 2.727 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cnc1C ZINC000253432812 569269333 /nfs/dbraw/zinc/26/93/33/569269333.db2.gz OLIGYJHKSVVZBI-UHFFFAOYSA-N 0 0 446.312 2.743 50 0 IFAARN CCOC(=O)C1=C(CN(C)Cc2cnn(-c3ccccc3)c2)NC(=O)N[C@H]1c1ccco1 ZINC000027551436 569271951 /nfs/dbraw/zinc/27/19/51/569271951.db2.gz PJEKSQOFWCRKPQ-NRFANRHFSA-N 0 0 435.484 2.768 50 0 IFAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCN2CCOCC2)cc1C ZINC000027550270 569272010 /nfs/dbraw/zinc/27/20/10/569272010.db2.gz MCYOOBQVZYAWAQ-PGMHBOJBSA-N 0 0 427.570 2.974 50 0 IFAARN Cn1c2nc(NCc3ccco3)n(Cc3cccc(C(F)(F)F)c3)c2c(=O)n(C)c1=O ZINC000002322887 569274245 /nfs/dbraw/zinc/27/42/45/569274245.db2.gz UYYRWVVGXUSSQE-UHFFFAOYSA-N 0 0 433.390 2.706 50 0 IFAARN COc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)cc1 ZINC000055061057 569282849 /nfs/dbraw/zinc/28/28/49/569282849.db2.gz MWNIZJITOCYNEG-FQEVSTJZSA-N 0 0 433.911 2.537 50 0 IFAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2C=CC=NN21 ZINC000253487251 569282912 /nfs/dbraw/zinc/28/29/12/569282912.db2.gz HOZLIFOBQUNCMT-JONQDZQNSA-N 0 0 430.302 2.778 50 0 IFAARN CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3ccc(Br)s3)C2)c1F ZINC000253473222 569282941 /nfs/dbraw/zinc/28/29/41/569282941.db2.gz SSGLMYBSPCTXAX-SECBINFHSA-N 0 0 436.328 2.844 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 ZINC000253486961 569283024 /nfs/dbraw/zinc/28/30/24/569283024.db2.gz BNQWFBYQJUWALC-WCIQWLHISA-N 0 0 435.867 2.946 50 0 IFAARN CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@H]1Oc1cccc2ccccc21 ZINC000253498533 569283149 /nfs/dbraw/zinc/28/31/49/569283149.db2.gz FYTGFTLKWMSTHB-DTILQVPTSA-N 0 0 425.437 2.516 50 0 IFAARN O=C(C[C@H]1Cc2c(=O)[nH]c(=O)n(Cc3ccccc3)c2NC1=O)Nc1ccc(Cl)cc1 ZINC000253537551 569284164 /nfs/dbraw/zinc/28/41/64/569284164.db2.gz OQYOVKACCNJONT-CQSZACIVSA-N 0 0 438.871 2.790 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000252478930 569287924 /nfs/dbraw/zinc/28/79/24/569287924.db2.gz AXODCLCWOALDCX-LBJGKRIESA-N 0 0 439.434 2.667 50 0 IFAARN O=C(CCCNC(=O)c1cnccn1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252508157 569288202 /nfs/dbraw/zinc/28/82/02/569288202.db2.gz XESQVFRIQGMTRT-FQEVSTJZSA-N 0 0 428.496 2.963 50 0 IFAARN O=c1/c(=C\c2ccccc2Br)sc2nc(=O)c(Cc3ccc(F)cc3)nn12 ZINC000002373589 569289215 /nfs/dbraw/zinc/28/92/15/569289215.db2.gz DHVRWMISSUPMTQ-MHWRWJLKSA-N 0 0 444.285 2.551 50 0 IFAARN COc1ccc(CCNC(=S)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000009466655 569296596 /nfs/dbraw/zinc/29/65/96/569296596.db2.gz YHRDCRXLYTYEGM-LDADJPATSA-N 0 0 445.610 2.731 50 0 IFAARN O=C([C@H]1[C@@H](c2ccc3c(c2)OCO3)NC(=O)N[C@@]1(O)c1ccc(F)cc1)C(F)(F)F ZINC000027754457 569296658 /nfs/dbraw/zinc/29/66/58/569296658.db2.gz HBVOHZHYHIVVHP-IIDMSEBBSA-N 0 0 426.322 2.501 50 0 IFAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32c3cc(C)ccc3NC2=O)cc1 ZINC000002433714 569303366 /nfs/dbraw/zinc/30/33/66/569303366.db2.gz ZSEGZJLUJNPPPJ-PDFGSZSQSA-N 0 0 429.476 2.629 50 0 IFAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OCC(N)=O)cc1)N(C[C@H]1CCCO1)C3=O ZINC000002440033 569303981 /nfs/dbraw/zinc/30/39/81/569303981.db2.gz CZFMXNQNNJKXRZ-VGOFRKELSA-N 0 0 448.475 2.690 50 0 IFAARN C=CC/N=C/[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O ZINC000012876352 569305034 /nfs/dbraw/zinc/30/50/34/569305034.db2.gz SCNQKMODOFQYOZ-QGZKAKBVSA-N 0 0 443.584 2.956 50 0 IFAARN COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000012978850 569305693 /nfs/dbraw/zinc/30/56/93/569305693.db2.gz ONOTXUGNVIMPSI-MRXNPFEDSA-N 0 0 434.876 2.508 50 0 IFAARN COc1ccc(CC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c(OC)c1 ZINC000012998716 569306200 /nfs/dbraw/zinc/30/62/00/569306200.db2.gz ORUPIIIWLVAWLD-UHFFFAOYSA-N 0 0 425.529 2.646 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1N1C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=S ZINC000013015972 569307124 /nfs/dbraw/zinc/30/71/24/569307124.db2.gz VQQBBLWIPNSOPK-SFHVURJKSA-N 0 0 442.566 2.559 50 0 IFAARN CCCCN(C(=O)CN[C@@H](C)c1ccccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013038395 569307731 /nfs/dbraw/zinc/30/77/31/569307731.db2.gz CRRLBPZTBLNRQB-HNNXBMFYSA-N 0 0 449.983 2.912 50 0 IFAARN CCc1cc2c(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc(=O)oc2cc1O ZINC000013038565 569307806 /nfs/dbraw/zinc/30/78/06/569307806.db2.gz UBDDTXYADCRTEX-UHFFFAOYSA-N 0 0 428.510 2.568 50 0 IFAARN CC[C@H](C)N(C(=O)COC(=O)c1oc2ccccc2c1COC)[C@@H]1CCS(=O)(=O)C1 ZINC000013039044 569307896 /nfs/dbraw/zinc/30/78/96/569307896.db2.gz SOYNFASOKJSPHE-LSDHHAIUSA-N 0 0 437.514 2.550 50 0 IFAARN CCc1cccc(CC)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000013042239 569308272 /nfs/dbraw/zinc/30/82/72/569308272.db2.gz GGUXWQNJJZSCDS-UHFFFAOYSA-N 0 0 445.585 2.765 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)Nc1ccc(F)c(F)c1F ZINC000013063250 569308634 /nfs/dbraw/zinc/30/86/34/569308634.db2.gz TWHLPNWTYGIVBQ-UHFFFAOYSA-N 0 0 447.866 2.702 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C)ccc3C)CC2)c(C)c1 ZINC000013062377 569308675 /nfs/dbraw/zinc/30/86/75/569308675.db2.gz ZDHHLFTYFNMRAV-UHFFFAOYSA-N 0 0 444.553 2.610 50 0 IFAARN COC(=O)Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000328589949 569316826 /nfs/dbraw/zinc/31/68/26/569316826.db2.gz WUOLGXRQCJODAG-GJZGRUSLSA-N 0 0 434.514 2.914 50 0 IFAARN Cc1ccc(-c2nnco2)cc1N1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000328595382 569317743 /nfs/dbraw/zinc/31/77/43/569317743.db2.gz SUSFDPUAZNDFDX-HXUWFJFHSA-N 0 0 426.454 2.625 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Oc1ccc(N2CCCC2=O)cc1 ZINC000078739138 569318860 /nfs/dbraw/zinc/31/88/60/569318860.db2.gz JFQGHVRADMUVSS-IBGZPJMESA-N 0 0 448.566 2.819 50 0 IFAARN CCOC(=O)c1cccc(S(=O)(=O)N[C@H](c2noc(C)n2)c2ccccc2OC)c1 ZINC000078808807 569319183 /nfs/dbraw/zinc/31/91/83/569319183.db2.gz MIKALBMTHVRTQA-SFHVURJKSA-N 0 0 431.470 2.631 50 0 IFAARN CCOc1ccccc1O[C@H]1CCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1cccs1 ZINC000078877641 569319838 /nfs/dbraw/zinc/31/98/38/569319838.db2.gz XHVXGKLHCVISMG-HOTGVXAUSA-N 0 0 438.571 2.884 50 0 IFAARN CCOc1ccccc1O[C@@H]1CCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1cccs1 ZINC000078877645 569319852 /nfs/dbraw/zinc/31/98/52/569319852.db2.gz XHVXGKLHCVISMG-HZPDHXFCSA-N 0 0 438.571 2.884 50 0 IFAARN COc1cccc(NC(=O)CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)c1 ZINC000078958497 569320580 /nfs/dbraw/zinc/32/05/80/569320580.db2.gz WRKSVJMWNWZCKJ-UHFFFAOYSA-N 0 0 441.557 2.996 50 0 IFAARN COc1ccc(OCCS(=O)(=O)Nc2cccc(NC(=O)CCn3ccnc3)c2)cc1 ZINC000079001514 569321878 /nfs/dbraw/zinc/32/18/78/569321878.db2.gz IOHFOFOAEHWHTM-UHFFFAOYSA-N 0 0 444.513 2.741 50 0 IFAARN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCc2ccc(OCC3CC3)nc2)CCCC1 ZINC000079016258 569322127 /nfs/dbraw/zinc/32/21/27/569322127.db2.gz RLHQBTRYZAVJHA-UHFFFAOYSA-N 0 0 425.533 2.580 50 0 IFAARN COc1cc(NC2CCN(CC(=O)NC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc(OC)c1 ZINC000079025635 569322824 /nfs/dbraw/zinc/32/28/24/569322824.db2.gz OHIRDJRIRPLWGE-KKSFZXQISA-N 0 0 432.565 2.985 50 0 IFAARN COc1cc(C(C)=O)ccc1OCCCC(=O)NC1CCN(c2cc(C)ncn2)CC1 ZINC000079046338 569323044 /nfs/dbraw/zinc/32/30/44/569323044.db2.gz MTXMZFZEEAUFML-UHFFFAOYSA-N 0 0 426.517 2.940 50 0 IFAARN CC[C@@](C)(CNC(=O)COCCc1ccccc1)NC(=O)COCCc1ccccc1 ZINC000079056109 569323652 /nfs/dbraw/zinc/32/36/52/569323652.db2.gz UAJJURPTKBALJR-VWLOTQADSA-N 0 0 426.557 2.906 50 0 IFAARN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2nc(N)ns2)CC1 ZINC000079059031 569323779 /nfs/dbraw/zinc/32/37/79/569323779.db2.gz CXBZWQLTSJHETP-SECBINFHSA-N 0 0 434.875 2.942 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)C[C@H]2C(=O)Nc2cc(OC)ccc2OC)c1 ZINC000079067366 569324382 /nfs/dbraw/zinc/32/43/82/569324382.db2.gz HRAQNMAZLYFQLT-IAGOWNOFSA-N 0 0 442.468 2.894 50 0 IFAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000079070975 569324528 /nfs/dbraw/zinc/32/45/28/569324528.db2.gz JFDJESVOILXRPG-GOSISDBHSA-N 0 0 440.544 2.639 50 0 IFAARN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C ZINC000079072372 569324547 /nfs/dbraw/zinc/32/45/47/569324547.db2.gz DIWVGHYOBDFRGF-CABCVRRESA-N 0 0 432.546 2.681 50 0 IFAARN CSCCN(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C ZINC000079070724 569324577 /nfs/dbraw/zinc/32/45/77/569324577.db2.gz KQAZPGXPIONIQB-UHFFFAOYSA-N 0 0 438.619 2.502 50 0 IFAARN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000079096918 569325331 /nfs/dbraw/zinc/32/53/31/569325331.db2.gz QVHADFREIULRHE-ROUUACIJSA-N 0 0 433.553 2.964 50 0 IFAARN CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000079098566 569325417 /nfs/dbraw/zinc/32/54/17/569325417.db2.gz GCHTWIYCYACSIH-OALUTQOASA-N 0 0 438.613 2.521 50 0 IFAARN CCn1c2ccccc2n(CC(=O)N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)c1=O ZINC000079111524 569326204 /nfs/dbraw/zinc/32/62/04/569326204.db2.gz WGEXWPDEFJDDLD-KRWDZBQOSA-N 0 0 438.528 2.943 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(=O)[nH]1)CCC3)C[C@@H](C)CC2 ZINC000019796774 569329541 /nfs/dbraw/zinc/32/95/41/569329541.db2.gz ICSLSLLAJCDCBU-JTQLQIEISA-N 0 0 433.555 2.962 50 0 IFAARN COc1ccc(N2C(=O)CN([C@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000019797492 569329698 /nfs/dbraw/zinc/32/96/98/569329698.db2.gz UUHFXNWBWIZQCG-MDASCCDHSA-N 0 0 434.945 2.924 50 0 IFAARN CC(C)Oc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 ZINC000019819843 569329931 /nfs/dbraw/zinc/32/99/31/569329931.db2.gz OXTYGPCILFCQEC-FQEVSTJZSA-N 0 0 448.541 2.554 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 ZINC000019819815 569329972 /nfs/dbraw/zinc/32/99/72/569329972.db2.gz SIHWUJOACBWWJS-FQEVSTJZSA-N 0 0 432.542 2.891 50 0 IFAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(CCc2ccncc2)CC1 ZINC000079478160 569330757 /nfs/dbraw/zinc/33/07/57/569330757.db2.gz QKTRWVSAFFSGKG-UHFFFAOYSA-N 0 0 435.524 2.825 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)nc3)CC2=O)cc1 ZINC000079481489 569330823 /nfs/dbraw/zinc/33/08/23/569330823.db2.gz PFLYHAMVMOROLT-INIZCTEOSA-N 0 0 446.463 2.973 50 0 IFAARN CN1C(=O)COc2ccc(C(=O)COc3coc(CN4CCCCCC4)cc3=O)cc21 ZINC000079482120 569331022 /nfs/dbraw/zinc/33/10/22/569331022.db2.gz GSQVASDCKXOXHQ-UHFFFAOYSA-N 0 0 426.469 2.633 50 0 IFAARN O=C(NCCCc1nc2ccccc2[nH]1)c1cc(Br)ccc1-n1cnnn1 ZINC000079483052 569331025 /nfs/dbraw/zinc/33/10/25/569331025.db2.gz QRLHZOXSRVDOCF-UHFFFAOYSA-N 0 0 426.278 2.664 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000079488135 569331087 /nfs/dbraw/zinc/33/10/87/569331087.db2.gz QRKIWNIYWOLTMB-HNNXBMFYSA-N 0 0 431.543 2.554 50 0 IFAARN COc1cc2c3cnn(CC(=O)c4ccc5c(c4)OCCO5)c(=O)c3n(C)c2cc1OC ZINC000079488273 569331169 /nfs/dbraw/zinc/33/11/69/569331169.db2.gz HZECETNNOAHQRA-UHFFFAOYSA-N 0 0 435.436 2.560 50 0 IFAARN O=C(NCCn1ccc2ccc(Br)cc21)c1cc(F)ccc1-n1cnnn1 ZINC000079495650 569331498 /nfs/dbraw/zinc/33/14/98/569331498.db2.gz IGYVIYKVMCIDEJ-UHFFFAOYSA-N 0 0 429.253 2.949 50 0 IFAARN C[C@H](c1ccccc1)N1C(=O)N[C@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C1=O ZINC000020069863 569333293 /nfs/dbraw/zinc/33/32/93/569333293.db2.gz NEXVXENKHKWIIE-SJKOYZFVSA-N 0 0 427.404 2.537 50 0 IFAARN COc1cc(NC(=O)Cc2ccc(-n3c(=O)[nH]c4ccsc4c3=O)cc2)cc(OC)c1 ZINC000020135921 569335699 /nfs/dbraw/zinc/33/56/99/569335699.db2.gz FQOQBRWEJFAMFE-UHFFFAOYSA-N 0 0 437.477 2.939 50 0 IFAARN COc1ccc(C(=O)Nc2cc3c(ncnc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2=O)cc1OC ZINC000390834829 569354510 /nfs/dbraw/zinc/35/45/10/569354510.db2.gz FXBZQUSHUJWAPN-STQMWFEESA-N 0 0 439.472 2.614 50 0 IFAARN COc1ccc(C(=O)Nc2cc3c(ncnc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)cc1OC ZINC000390834828 569354581 /nfs/dbraw/zinc/35/45/81/569354581.db2.gz FXBZQUSHUJWAPN-CHWSQXEVSA-N 0 0 439.472 2.614 50 0 IFAARN COc1ccc(Cc2nnc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)s2)cc1 ZINC000094992952 569355770 /nfs/dbraw/zinc/35/57/70/569355770.db2.gz IHYKJZQESWVPPU-INIZCTEOSA-N 0 0 437.481 2.866 50 0 IFAARN C[C@@H](C(=O)NCCn1ccc2cc(Br)ccc21)n1nnc2ccccc2c1=O ZINC000094993151 569355867 /nfs/dbraw/zinc/35/58/67/569355867.db2.gz LOJVIHWLXBWXJO-ZDUSSCGKSA-N 0 0 440.301 2.886 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)c(OC)c1OC ZINC000020216117 569356712 /nfs/dbraw/zinc/35/67/12/569356712.db2.gz WDNDNLQFRFUHSZ-UHFFFAOYSA-N 0 0 429.517 2.818 50 0 IFAARN CSc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000020233167 569357124 /nfs/dbraw/zinc/35/71/24/569357124.db2.gz UCGPBWFDZFYVQG-UHFFFAOYSA-N 0 0 433.555 2.625 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(F)c(F)c3)ccc21 ZINC000020234664 569357200 /nfs/dbraw/zinc/35/72/00/569357200.db2.gz DMSMCGCLPQCOOY-UHFFFAOYSA-N 0 0 437.468 2.571 50 0 IFAARN O=C(c1cc(=O)c2cc(Br)ccc2o1)N1CCN(CCc2ccncc2)CC1 ZINC000095099720 569357701 /nfs/dbraw/zinc/35/77/01/569357701.db2.gz LVLNIZCUOGKZGQ-UHFFFAOYSA-N 0 0 442.313 2.951 50 0 IFAARN CC(C)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1=O ZINC000020240338 569357755 /nfs/dbraw/zinc/35/77/55/569357755.db2.gz GSVXPKVWZKFGNY-IRXDYDNUSA-N 0 0 447.601 2.981 50 0 IFAARN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281439 569358764 /nfs/dbraw/zinc/35/87/64/569358764.db2.gz XZKWJFQXRHNRAW-HNNXBMFYSA-N 0 0 432.527 2.800 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000020281041 569358782 /nfs/dbraw/zinc/35/87/82/569358782.db2.gz WJYUHJPZKVBRRB-INIZCTEOSA-N 0 0 430.511 2.686 50 0 IFAARN CCOC(=O)C1=C(CNc2cc(OC)c(OC)c(OC)c2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020283329 569359021 /nfs/dbraw/zinc/35/90/21/569359021.db2.gz KKHPILCFBHSHAK-HXUWFJFHSA-N 0 0 441.484 2.996 50 0 IFAARN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(C)cc2)N(CCN2CCOCC2)C1=O ZINC000020308775 569359423 /nfs/dbraw/zinc/35/94/23/569359423.db2.gz CLVLKQBDXGHHBZ-QFIPXVFZSA-N 0 0 434.492 2.987 50 0 IFAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(C)cc2)N(CCN2CCOCC2)C1=O ZINC000020308773 569359505 /nfs/dbraw/zinc/35/95/05/569359505.db2.gz CLVLKQBDXGHHBZ-JOCHJYFZSA-N 0 0 434.492 2.987 50 0 IFAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccc(Cl)c4)C3)ccc21 ZINC000020326672 569360554 /nfs/dbraw/zinc/36/05/54/569360554.db2.gz GXBYICVFXGWQKV-ZDUSSCGKSA-N 0 0 449.916 2.824 50 0 IFAARN COc1cccc([C@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c2nccn2C)c1 ZINC000095348606 569361564 /nfs/dbraw/zinc/36/15/64/569361564.db2.gz KIIVTNBSNHCWPX-BPXKWBHBSA-N 0 0 431.558 2.833 50 0 IFAARN C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NC[C@@H]1CCCO1 ZINC000080332142 569362340 /nfs/dbraw/zinc/36/23/40/569362340.db2.gz UMNGYEDDZXPBOI-HIFRSBDPSA-N 0 0 429.348 2.509 50 0 IFAARN CCCCN(C)c1ncc(Cl)c(C(=O)NCCN2CCN(c3ccccc3)CC2)n1 ZINC000095364997 569362431 /nfs/dbraw/zinc/36/24/31/569362431.db2.gz ZQWRMGJHRISEDX-UHFFFAOYSA-N 0 0 430.984 2.918 50 0 IFAARN COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)c2c1 ZINC000020380869 569362561 /nfs/dbraw/zinc/36/25/61/569362561.db2.gz COVYTTXLRHEDCQ-UHFFFAOYSA-N 0 0 425.510 2.778 50 0 IFAARN CCc1cc2c(cc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)nc(CC)n23)s1 ZINC000020384345 569362905 /nfs/dbraw/zinc/36/29/05/569362905.db2.gz LAQOSTDKPMOLPY-UHFFFAOYSA-N 0 0 438.509 2.881 50 0 IFAARN CCOc1ncc(C(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000095395628 569363574 /nfs/dbraw/zinc/36/35/74/569363574.db2.gz WXKWXMWBCDWZGW-QGZVFWFLSA-N 0 0 437.327 2.772 50 0 IFAARN CN(CCOc1ccccc1F)S(=O)(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000095398581 569363650 /nfs/dbraw/zinc/36/36/50/569363650.db2.gz NESXAGCWGYQPTQ-SFHVURJKSA-N 0 0 436.505 2.877 50 0 IFAARN CCOC[C@H](O)CN1CCN(C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)CC1 ZINC000095399139 569363652 /nfs/dbraw/zinc/36/36/52/569363652.db2.gz GNEFVABVYVWAOL-HXUWFJFHSA-N 0 0 427.549 2.605 50 0 IFAARN Cc1nc(CCNC(=O)Nc2cc(C(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)sc1C ZINC000095418782 569365408 /nfs/dbraw/zinc/36/54/08/569365408.db2.gz DTKKFAQCVRAVSZ-AWEZNQCLSA-N 0 0 439.607 2.978 50 0 IFAARN C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(N(C)C(=O)[C@H](C)OCC(F)(F)F)nc1 ZINC000095440772 569366639 /nfs/dbraw/zinc/36/66/39/569366639.db2.gz NJFVQRIQPKYNGU-UWVGGRQHSA-N 0 0 431.333 2.918 50 0 IFAARN C[C@@H](OCC(F)(F)F)C(=O)N(C)c1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cn1 ZINC000095440770 569366592 /nfs/dbraw/zinc/36/65/92/569366592.db2.gz NJFVQRIQPKYNGU-VHSXEESVSA-N 0 0 431.333 2.918 50 0 IFAARN O=C(C1CCN(c2cncc3nnnn32)CC1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000095436699 569366596 /nfs/dbraw/zinc/36/65/96/569366596.db2.gz XNIQUJDHXKGQAJ-QGZVFWFLSA-N 0 0 425.924 2.623 50 0 IFAARN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)c(OC)c1 ZINC000095445222 569367139 /nfs/dbraw/zinc/36/71/39/569367139.db2.gz PTKBTZCFXBOOFX-MRXNPFEDSA-N 0 0 440.543 2.649 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000095451725 569367862 /nfs/dbraw/zinc/36/78/62/569367862.db2.gz DMVBZYDHGNNFDB-ZDUSSCGKSA-N 0 0 430.324 2.560 50 0 IFAARN C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC000095454652 569368407 /nfs/dbraw/zinc/36/84/07/569368407.db2.gz LSTGZMIGYBXFES-ZFWWWQNUSA-N 0 0 426.510 2.733 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)s1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000095457368 569369043 /nfs/dbraw/zinc/36/90/43/569369043.db2.gz AAJHHWXLJHUPGT-CHWSQXEVSA-N 0 0 427.295 2.714 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000095458864 569369169 /nfs/dbraw/zinc/36/91/69/569369169.db2.gz JCUBZQOWAFXNRG-UXHICEINSA-N 0 0 429.536 2.831 50 0 IFAARN COCCCn1ccc(NC(=O)C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)n1 ZINC000095461252 569369753 /nfs/dbraw/zinc/36/97/53/569369753.db2.gz GABICQWCCSIPNR-UHFFFAOYSA-N 0 0 436.394 2.701 50 0 IFAARN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000095466710 569371043 /nfs/dbraw/zinc/37/10/43/569371043.db2.gz KZJDVWUYHPYXMO-BFUOFWGJSA-N 0 0 436.890 2.789 50 0 IFAARN Cc1nc([C@H]2CN(C(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)CCO2)no1 ZINC000095468235 569371226 /nfs/dbraw/zinc/37/12/26/569371226.db2.gz MIRULILNGMTEDB-UKRRQHHQSA-N 0 0 425.411 2.608 50 0 IFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)c2cc(Cl)ccc2N(C)C1=O ZINC000095472102 569372198 /nfs/dbraw/zinc/37/21/98/569372198.db2.gz BGSKGSILFZDUST-HXUWFJFHSA-N 0 0 434.847 2.755 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC3CCCCCC3)C2=O)cc1OC ZINC000095473772 569372482 /nfs/dbraw/zinc/37/24/82/569372482.db2.gz NRPXZDNQZPPZPM-SFHVURJKSA-N 0 0 431.533 2.990 50 0 IFAARN COc1cc2nc(C)n(CCNC(=O)COc3ccc(Cl)cc3)c(=O)c2cc1OC ZINC000095474656 569372646 /nfs/dbraw/zinc/37/26/46/569372646.db2.gz NKCPFELUUASBCY-UHFFFAOYSA-N 0 0 431.876 2.571 50 0 IFAARN C[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)c1nnc2ccccn21 ZINC000095475526 569372718 /nfs/dbraw/zinc/37/27/18/569372718.db2.gz LLKOFNSDXSLSGT-ZDUSSCGKSA-N 0 0 433.921 2.804 50 0 IFAARN O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000095477449 569373208 /nfs/dbraw/zinc/37/32/08/569373208.db2.gz PEDJXBFNHBECRK-QGZVFWFLSA-N 0 0 428.899 2.988 50 0 IFAARN C[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1nnc2ccccn21 ZINC000095478575 569373510 /nfs/dbraw/zinc/37/35/10/569373510.db2.gz GPJWAARQWQDIRL-ZDUSSCGKSA-N 0 0 433.921 2.804 50 0 IFAARN COc1ccc2nc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)N3CCOCC3)sc2c1 ZINC000095479957 569373791 /nfs/dbraw/zinc/37/37/91/569373791.db2.gz KPRRZOABVAFFQW-GOSISDBHSA-N 0 0 440.525 2.897 50 0 IFAARN NC(=O)[C@H]1CN(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)CCO1 ZINC000095957697 569376970 /nfs/dbraw/zinc/37/69/70/569376970.db2.gz USPCLRNPSGESII-SJORKVTESA-N 0 0 436.281 2.573 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1)c1cc2ccccc2o1 ZINC000095961232 569377068 /nfs/dbraw/zinc/37/70/68/569377068.db2.gz LQOGRHBNSHAYKC-LJQANCHMSA-N 0 0 426.561 2.630 50 0 IFAARN O=S(=O)(CCO)c1ccc(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000095960496 569377130 /nfs/dbraw/zinc/37/71/30/569377130.db2.gz KJICBLNLWLVEDL-UHFFFAOYSA-N 0 0 425.528 2.575 50 0 IFAARN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)C1 ZINC000095966973 569377349 /nfs/dbraw/zinc/37/73/49/569377349.db2.gz DAQFZFVIPLOPEJ-CABCVRRESA-N 0 0 435.498 2.724 50 0 IFAARN COCc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1OC ZINC000095965977 569377355 /nfs/dbraw/zinc/37/73/55/569377355.db2.gz GNHLVGPOEOVTEJ-HNNXBMFYSA-N 0 0 425.485 2.678 50 0 IFAARN O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1NCc1cccnc1 ZINC000095987678 569378036 /nfs/dbraw/zinc/37/80/36/569378036.db2.gz FMSMKQZDGAHKQY-UHFFFAOYSA-N 0 0 430.464 2.944 50 0 IFAARN CC(C)(CNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)NS(C)(=O)=O ZINC000095993643 569378432 /nfs/dbraw/zinc/37/84/32/569378432.db2.gz CAWOMKDUNDXIEY-KBPBESRZSA-N 0 0 426.970 2.934 50 0 IFAARN C[C@H](CNc1nc2ccc(Cl)cc2c(NC[C@H](C)N2CCOCC2)n1)N1CCOCC1 ZINC000096011506 569379758 /nfs/dbraw/zinc/37/97/58/569379758.db2.gz QEOBSEGABWBLTI-DLBZAZTESA-N 0 0 448.999 2.548 50 0 IFAARN O=c1[nH]c2cc(S(=O)(=O)Nc3ccc4c(c3)C(=O)N3CCCC[C@@H]3CCO4)ccc2o1 ZINC000096025910 569380718 /nfs/dbraw/zinc/38/07/18/569380718.db2.gz YKIWXZKPKQAJMO-CQSZACIVSA-N 0 0 443.481 2.699 50 0 IFAARN CC(C)(C)OC(=O)NC(CNC(=O)/C=C/c1ccco1)CNC(=O)/C=C\c1ccco1 ZINC000096035318 569380879 /nfs/dbraw/zinc/38/08/79/569380879.db2.gz VTOGDWJWDZCBPR-PNQPDEHRSA-N 0 0 429.473 2.725 50 0 IFAARN COC(=O)/C(C)=C\CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000096035343 569381085 /nfs/dbraw/zinc/38/10/85/569381085.db2.gz OXXWBIKZUGAMOV-XGICHPGQSA-N 0 0 440.871 2.784 50 0 IFAARN O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096979 569381278 /nfs/dbraw/zinc/38/12/78/569381278.db2.gz RTLYDMFFOCCOJP-UHFFFAOYSA-N 0 0 432.274 2.822 50 0 IFAARN CCc1ccc(S(=O)(=O)NCCn2nc(-n3ccc4ccccc43)ccc2=O)s1 ZINC000096097974 569381491 /nfs/dbraw/zinc/38/14/91/569381491.db2.gz QEXZCBQYBVLNHI-UHFFFAOYSA-N 0 0 428.539 2.790 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2)s1 ZINC000096099634 569381650 /nfs/dbraw/zinc/38/16/50/569381650.db2.gz VVGPGJGTVUVRNG-UHFFFAOYSA-N 0 0 429.585 2.946 50 0 IFAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000096099619 569381691 /nfs/dbraw/zinc/38/16/91/569381691.db2.gz PSAMRZKNHOWWIA-UHFFFAOYSA-N 0 0 449.525 2.800 50 0 IFAARN CSc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000096103276 569381859 /nfs/dbraw/zinc/38/18/59/569381859.db2.gz PRQOFQBYKLNCQK-IBGZPJMESA-N 0 0 427.526 2.632 50 0 IFAARN O=S(=O)(C1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1)C1CCCCC1 ZINC000096104384 569382137 /nfs/dbraw/zinc/38/21/37/569382137.db2.gz IXEHAVBNNVUJMQ-UHFFFAOYSA-N 0 0 427.466 2.706 50 0 IFAARN CO[C@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(C)s1 ZINC000096104820 569382244 /nfs/dbraw/zinc/38/22/44/569382244.db2.gz ZFODNLYXBGTHMM-QGZVFWFLSA-N 0 0 444.600 2.653 50 0 IFAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000096114521 569382860 /nfs/dbraw/zinc/38/28/60/569382860.db2.gz QOUSMPRZGWWVJL-FQEVSTJZSA-N 0 0 431.496 2.800 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(-c4ccncc4)cs3)C2=O)cc1 ZINC000096116703 569383769 /nfs/dbraw/zinc/38/37/69/569383769.db2.gz GVSCGSQGMMFHHY-INIZCTEOSA-N 0 0 437.481 2.663 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3nc(C(C)(C)C)cs3)C2=O)cc1 ZINC000096117127 569383975 /nfs/dbraw/zinc/38/39/75/569383975.db2.gz PLBRWAZAJCKKQV-HNNXBMFYSA-N 0 0 430.530 2.941 50 0 IFAARN COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 ZINC000096121908 569385130 /nfs/dbraw/zinc/38/51/30/569385130.db2.gz PGZNBSYLMJZEJB-UHFFFAOYSA-N 0 0 436.338 2.849 50 0 IFAARN CC[C@](CNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2)(OC)c1ccccc1 ZINC000096123813 569385286 /nfs/dbraw/zinc/38/52/86/569385286.db2.gz CYCUBIXGRQFTLW-RUZDIDTESA-N 0 0 435.524 2.919 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)c(Br)c1 ZINC000096124148 569385555 /nfs/dbraw/zinc/38/55/55/569385555.db2.gz LSWSKYPGCZDBEX-CQSZACIVSA-N 0 0 442.321 2.983 50 0 IFAARN COc1c(C(=O)N2CCN(Cc3ccccc3)CC2)nnn1Cc1ccccc1Cl ZINC000096183546 569386052 /nfs/dbraw/zinc/38/60/52/569386052.db2.gz PJNXCGXQANEYLJ-UHFFFAOYSA-N 0 0 425.920 2.946 50 0 IFAARN COCCS(=O)(=O)N1CCN(c2ncnc3scc(-c4ccc(C)cc4)c32)CC1 ZINC000096182724 569386095 /nfs/dbraw/zinc/38/60/95/569386095.db2.gz IHLCOEVZATZNIW-UHFFFAOYSA-N 0 0 432.571 2.765 50 0 IFAARN COCCN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)c1ccc(OC)cc1 ZINC000096203358 569386378 /nfs/dbraw/zinc/38/63/78/569386378.db2.gz PNIJLMRRKUQGPU-UHFFFAOYSA-N 0 0 425.441 2.805 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)C2CCCC2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000096211392 569386693 /nfs/dbraw/zinc/38/66/93/569386693.db2.gz ZTVCFWNDVZRSTB-MOPGFXCFSA-N 0 0 448.560 2.597 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)C2CCCC2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000096211391 569386790 /nfs/dbraw/zinc/38/67/90/569386790.db2.gz ZTVCFWNDVZRSTB-RTBURBONSA-N 0 0 448.560 2.597 50 0 IFAARN CSCC[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000096221446 569386848 /nfs/dbraw/zinc/38/68/48/569386848.db2.gz CMBBQQLZOLKERP-ZWKOTPCHSA-N 0 0 437.525 2.614 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)CC[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)c2c1 ZINC000096222094 569387023 /nfs/dbraw/zinc/38/70/23/569387023.db2.gz WCVRVQMWNNQTQY-NRFANRHFSA-N 0 0 434.496 2.736 50 0 IFAARN COC(=O)C[C@@H](c1cnn2cccnc12)c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F ZINC000096224089 569387371 /nfs/dbraw/zinc/38/73/71/569387371.db2.gz MTNINGRYDIIAQC-NSHDSACASA-N 0 0 431.374 2.861 50 0 IFAARN COc1ccc(N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4Cl)CC3)C2)nn1 ZINC000096231319 569387584 /nfs/dbraw/zinc/38/75/84/569387584.db2.gz HETYNULRGYRKJF-GOSISDBHSA-N 0 0 429.952 2.699 50 0 IFAARN COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)CC2)cc1 ZINC000096232858 569387841 /nfs/dbraw/zinc/38/78/41/569387841.db2.gz VWIJMSFHXARFNS-DHZHZOJOSA-N 0 0 446.573 2.636 50 0 IFAARN CN(Cc1ccccc1)c1nc2c(c(N3CCOCC3)n1)CN(C(=O)c1ccco1)CC2 ZINC000096280932 569389822 /nfs/dbraw/zinc/38/98/22/569389822.db2.gz DWFJLEWNCWZPHJ-UHFFFAOYSA-N 0 0 433.512 2.741 50 0 IFAARN CCc1nc(NCCC(=O)NCCN2CCOCC2)c2cc(Cl)cc(Cl)c2n1 ZINC000096289333 569390662 /nfs/dbraw/zinc/39/06/62/569390662.db2.gz TVHBEZDWNVTNFD-UHFFFAOYSA-N 0 0 426.348 2.749 50 0 IFAARN Cn1c(CNC(=O)[C@H]2CN(S(=O)(=O)C3CC3)CC23CCCCC3)nc2ccccc21 ZINC000096309524 569392302 /nfs/dbraw/zinc/39/23/02/569392302.db2.gz VTAVSEPCGSTWPR-QGZVFWFLSA-N 0 0 430.574 2.564 50 0 IFAARN COCC(=O)N1CCN(c2nc(C(C)C)nc(COC)c2Cc2cccc(C)c2)CC1 ZINC000096317239 569393169 /nfs/dbraw/zinc/39/31/69/569393169.db2.gz DSFRTAQLPJQULK-UHFFFAOYSA-N 0 0 426.561 2.941 50 0 IFAARN COCc1nc(C)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccc(OC)cc1 ZINC000096317502 569393446 /nfs/dbraw/zinc/39/34/46/569393446.db2.gz YSDBRPNVUHJKLD-UHFFFAOYSA-N 0 0 427.549 2.771 50 0 IFAARN CCn1c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc2[nH]c(=O)c1=O ZINC000096320610 569394076 /nfs/dbraw/zinc/39/40/76/569394076.db2.gz OXXKYZGWUKWXBN-OAHLLOKOSA-N 0 0 431.452 2.589 50 0 IFAARN CCn1c(=O)c(N2CCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)nc2cccnc21 ZINC000096321642 569394201 /nfs/dbraw/zinc/39/42/01/569394201.db2.gz FERCKNRYRCYXKZ-UHFFFAOYSA-N 0 0 442.907 2.828 50 0 IFAARN COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc6c(c5)OCO6)cc4c3=O)n2)cc1 ZINC000096322245 569394432 /nfs/dbraw/zinc/39/44/32/569394432.db2.gz VQRBFWIYIBUAJS-UHFFFAOYSA-N 0 0 443.419 2.999 50 0 IFAARN O=C(Cn1nc2c3cc(-c4ccccc4)nn3ccn2c1=O)NCc1ccccc1Cl ZINC000096322478 569394678 /nfs/dbraw/zinc/39/46/78/569394678.db2.gz KFQJOVOFYKVKIH-UHFFFAOYSA-N 0 0 432.871 2.781 50 0 IFAARN Cc1ccc(C)c(-c2cc3c4nn(CC(=O)NCc5ccccc5)c(=O)n4ccn3n2)c1 ZINC000096322586 569394754 /nfs/dbraw/zinc/39/47/54/569394754.db2.gz STTNWJGPFDZQRX-UHFFFAOYSA-N 0 0 426.480 2.744 50 0 IFAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CCCCCC1 ZINC000096322962 569395030 /nfs/dbraw/zinc/39/50/30/569395030.db2.gz KNXHRIADNZZTFD-UHFFFAOYSA-N 0 0 433.578 2.789 50 0 IFAARN COc1ccc(CC(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1OC ZINC000096324170 569395698 /nfs/dbraw/zinc/39/56/98/569395698.db2.gz USIXUELMBFQNAG-UHFFFAOYSA-N 0 0 448.523 2.531 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)c1 ZINC000096324229 569395709 /nfs/dbraw/zinc/39/57/09/569395709.db2.gz CCXIQJNJTVYCCE-UHFFFAOYSA-N 0 0 434.496 2.521 50 0 IFAARN O=c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nn1-c1ccc(F)cc1 ZINC000096324171 569395712 /nfs/dbraw/zinc/39/57/12/569395712.db2.gz YHLDAGIUHHYATP-UHFFFAOYSA-N 0 0 448.907 2.536 50 0 IFAARN Cc1ccc(-n2nc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)ccc2=O)cc1C ZINC000096324196 569395753 /nfs/dbraw/zinc/39/57/53/569395753.db2.gz CHCGOPYRUUDCIB-UHFFFAOYSA-N 0 0 431.540 2.878 50 0 IFAARN COc1cc(NC(=O)CN2CCc3[nH]c4c(C)ccc(F)c4c(=O)c3C2)cc(OC)c1 ZINC000096326923 569396332 /nfs/dbraw/zinc/39/63/32/569396332.db2.gz WWIIWEOHIYBQKU-UHFFFAOYSA-N 0 0 425.460 2.990 50 0 IFAARN CCC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000096332567 569396540 /nfs/dbraw/zinc/39/65/40/569396540.db2.gz AZJGVDBAHGWITK-INIZCTEOSA-N 0 0 426.473 2.548 50 0 IFAARN CC[C@@H](C)[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000096332503 569396543 /nfs/dbraw/zinc/39/65/43/569396543.db2.gz NFCZIAOJQXXWIO-BFUOFWGJSA-N 0 0 440.500 2.794 50 0 IFAARN O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1ccccc1F ZINC000096340622 569396796 /nfs/dbraw/zinc/39/67/96/569396796.db2.gz TVNHNURCTUGWRO-UHFFFAOYSA-N 0 0 430.399 2.991 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)N(c4n[nH]c5cccc(F)c54)C3)c2c1 ZINC000096345365 569397138 /nfs/dbraw/zinc/39/71/38/569397138.db2.gz SDVVNOKDLFIIRX-AWEZNQCLSA-N 0 0 435.459 2.904 50 0 IFAARN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 ZINC000096345380 569397187 /nfs/dbraw/zinc/39/71/87/569397187.db2.gz RIVLBYGYHMOBIP-VWLOTQADSA-N 0 0 441.491 2.816 50 0 IFAARN Cc1ccc(N2C(=O)CN(CCc3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000096355806 569397427 /nfs/dbraw/zinc/39/74/27/569397427.db2.gz JOQNRNPOIGXDDM-VQTJNVASSA-N 0 0 436.936 2.844 50 0 IFAARN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCC(C(=O)NC(C)(C)C)CC1 ZINC000096357235 569397449 /nfs/dbraw/zinc/39/74/49/569397449.db2.gz AMVVZCUYAMXOKK-UHFFFAOYSA-N 0 0 436.553 2.944 50 0 IFAARN O=C(CNC(=O)OCc1ccccc1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096371051 569397813 /nfs/dbraw/zinc/39/78/13/569397813.db2.gz RZZFYPNJAMHSPW-SFHVURJKSA-N 0 0 436.917 2.641 50 0 IFAARN COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)OC ZINC000096385271 569398258 /nfs/dbraw/zinc/39/82/58/569398258.db2.gz VAGMXVZWSGQYGD-HXUWFJFHSA-N 0 0 425.485 2.655 50 0 IFAARN COc1cccc(N2CCN(C(=O)C3CCN(c4cnc5nccnc5c4)CC3)CC2)c1 ZINC000096387373 569398847 /nfs/dbraw/zinc/39/88/47/569398847.db2.gz OESIZJAZPVMWAD-UHFFFAOYSA-N 0 0 432.528 2.599 50 0 IFAARN Cc1oc(C2CCN(C(=O)COc3cccc(C)c3)CC2)nc1C(=O)N1CCOCC1 ZINC000096396995 569399334 /nfs/dbraw/zinc/39/93/34/569399334.db2.gz MSCWPPUIYREJKG-UHFFFAOYSA-N 0 0 427.501 2.549 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)cc1 ZINC000096397166 569399475 /nfs/dbraw/zinc/39/94/75/569399475.db2.gz JIQGVJRMXWSFRT-UHFFFAOYSA-N 0 0 447.557 2.586 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@H]2CCc3sc(C(=O)N(C)C)cc3C2)CC1 ZINC000096398261 569399570 /nfs/dbraw/zinc/39/95/70/569399570.db2.gz YQNPDVZEBXPEAX-INIZCTEOSA-N 0 0 427.570 2.912 50 0 IFAARN CC(C)OC(=O)COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000096401395 569400494 /nfs/dbraw/zinc/40/04/94/569400494.db2.gz XKYHEDUNARESHL-XFXZXTDPSA-N 0 0 429.494 2.946 50 0 IFAARN Cc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CCN(C)CC2)c(Cl)c1 ZINC000096998481 569402788 /nfs/dbraw/zinc/40/27/88/569402788.db2.gz KFQYVTBFLGFCOJ-HXUWFJFHSA-N 0 0 447.988 2.933 50 0 IFAARN COc1ccccc1-n1c(O)c2c(C(C)=O)nn(-c3ccc(Br)cc3)c2c1O ZINC000097020872 569402799 /nfs/dbraw/zinc/40/27/99/569402799.db2.gz SJBCFKTVGHHJJO-WMZOPIPTSA-N 0 0 442.269 2.781 50 0 IFAARN COc1ccc([C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)c(OC)c1OC ZINC000670416139 569403153 /nfs/dbraw/zinc/40/31/53/569403153.db2.gz QAPXTYOKQRDQFL-CQSZACIVSA-N 0 0 428.489 2.918 50 0 IFAARN CSc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(C[C@H]3CCCO3)c2=O)c1 ZINC000002467806 569403913 /nfs/dbraw/zinc/40/39/13/569403913.db2.gz YZDCPBFNZIWPLL-MRXNPFEDSA-N 0 0 425.510 2.703 50 0 IFAARN O=C(Cc1noc2ccccc12)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000225543608 569404044 /nfs/dbraw/zinc/40/40/44/569404044.db2.gz WRCXDIHOVCWLOG-UHFFFAOYSA-N 0 0 435.459 2.865 50 0 IFAARN O=c1[nH]nc(CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1-c1cccs1 ZINC000225546742 569404171 /nfs/dbraw/zinc/40/41/71/569404171.db2.gz BCWKUKJVSGMNPD-UHFFFAOYSA-N 0 0 444.991 2.980 50 0 IFAARN CC(=O)Nc1ccc(C(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)[nH]n3)CC2)cc1 ZINC000225563310 569404531 /nfs/dbraw/zinc/40/45/31/569404531.db2.gz HORBVCFXUWDPFV-UHFFFAOYSA-N 0 0 437.422 2.680 50 0 IFAARN O=C1CN(CCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 ZINC000055408307 569404653 /nfs/dbraw/zinc/40/46/53/569404653.db2.gz ZWJCEVITWDSFKM-RBUKOAKNSA-N 0 0 449.370 2.506 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000002481299 569405000 /nfs/dbraw/zinc/40/50/00/569405000.db2.gz CONHQVGVVDODRU-INIZCTEOSA-N 0 0 435.509 2.509 50 0 IFAARN O=C1N[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1Cc1ccccc1 ZINC000002492463 569405496 /nfs/dbraw/zinc/40/54/96/569405496.db2.gz LLOBSIAHOOBTDM-MRXNPFEDSA-N 0 0 447.822 2.629 50 0 IFAARN COc1ccccc1C1(CNC(=O)CCc2ccc(S(C)(=O)=O)cc2)CCOCC1 ZINC000225616801 569405786 /nfs/dbraw/zinc/40/57/86/569405786.db2.gz AZJIPEOJBQKOPY-UHFFFAOYSA-N 0 0 431.554 2.896 50 0 IFAARN O=C1COC(=O)N1C[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000225638487 569406375 /nfs/dbraw/zinc/40/63/75/569406375.db2.gz MQMKXCLFZIEFCN-LLVKDONJSA-N 0 0 445.316 2.509 50 0 IFAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H](O)c2csc3ccccc32)cc1 ZINC000225697904 569407293 /nfs/dbraw/zinc/40/72/93/569407293.db2.gz IUZZOWVGGYFMLH-QGZVFWFLSA-N 0 0 430.507 2.567 50 0 IFAARN O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000225723101 569407422 /nfs/dbraw/zinc/40/74/22/569407422.db2.gz GIVMPHZIIVDCNP-CQSZACIVSA-N 0 0 433.434 2.634 50 0 IFAARN CC1(C)Cc2cccc(OCC(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)c2O1 ZINC000225727427 569407581 /nfs/dbraw/zinc/40/75/81/569407581.db2.gz BIHLMSZHMORZDH-UHFFFAOYSA-N 0 0 436.434 2.937 50 0 IFAARN COc1cccc2cc(C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)c(=O)oc21 ZINC000225732759 569407723 /nfs/dbraw/zinc/40/77/23/569407723.db2.gz GLPPIQOHZWWXHW-UHFFFAOYSA-N 0 0 448.401 2.881 50 0 IFAARN O=C(Cc1ccccc1Br)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000225759824 569408187 /nfs/dbraw/zinc/40/81/87/569408187.db2.gz RFRJOWASYRQNLB-UHFFFAOYSA-N 0 0 442.313 2.859 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)NC2CCN(c3cc(C4CC4)[nH]n3)CC2)c(C)c1 ZINC000225754901 569408203 /nfs/dbraw/zinc/40/82/03/569408203.db2.gz BFEGIHXESVGLFG-UHFFFAOYSA-N 0 0 431.562 2.891 50 0 IFAARN CC(C)C(=O)NCCNC(=O)c1cc(Br)ccc1I ZINC000028209896 569409023 /nfs/dbraw/zinc/40/90/23/569409023.db2.gz FIXRYFLZTWTJTM-UHFFFAOYSA-N 0 0 439.091 2.556 50 0 IFAARN O=C1CN(C2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)C(=O)N1c1ccccc1 ZINC000225822394 569409195 /nfs/dbraw/zinc/40/91/95/569409195.db2.gz XJRXVQSVGSWRGR-UHFFFAOYSA-N 0 0 449.479 2.728 50 0 IFAARN COc1ccccc1NC(=S)N[C@H](NC(=O)N1CCOCC1)C(Cl)(Cl)Cl ZINC000028293933 569409670 /nfs/dbraw/zinc/40/96/70/569409670.db2.gz CANVSCHOJOFINX-GFCCVEGCSA-N 0 0 441.768 2.720 50 0 IFAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O ZINC000002616352 569410163 /nfs/dbraw/zinc/41/01/63/569410163.db2.gz JQXYRKSZZZENKK-HXUWFJFHSA-N 0 0 448.292 2.714 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)OCCN1C(=O)c2ccccc2C1=O)c1cccs1 ZINC000002617223 569410375 /nfs/dbraw/zinc/41/03/75/569410375.db2.gz CHLUZRZIEITRIB-IBGZPJMESA-N 0 0 448.500 2.929 50 0 IFAARN O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000002626052 569411719 /nfs/dbraw/zinc/41/17/19/569411719.db2.gz SXGKXRONVQMSHA-UHFFFAOYSA-N 0 0 445.431 2.664 50 0 IFAARN Cc1cc(C)n2c(nnc2SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)n1 ZINC000002627180 569411929 /nfs/dbraw/zinc/41/19/29/569411929.db2.gz PPFDNVAHNVPQOR-VIFPVBQESA-N 0 0 430.559 2.757 50 0 IFAARN COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC(C)C ZINC000002640565 569413639 /nfs/dbraw/zinc/41/36/39/569413639.db2.gz VBPQGUXJKQGITQ-UHFFFAOYSA-N 0 0 432.542 2.938 50 0 IFAARN COc1ccc(C(=O)NCC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1OC ZINC000002642944 569413744 /nfs/dbraw/zinc/41/37/44/569413744.db2.gz VUMYLWYUUFJVRI-UHFFFAOYSA-N 0 0 437.448 2.772 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c1C ZINC000002644846 569414065 /nfs/dbraw/zinc/41/40/65/569414065.db2.gz FYZKLMVZTAXUEQ-QHCPKHFHSA-N 0 0 425.485 2.934 50 0 IFAARN COc1ccccc1NC(=O)COC(=O)CSc1nnnn1-c1cc(C)ccc1C ZINC000002651367 569414896 /nfs/dbraw/zinc/41/48/96/569414896.db2.gz QQCIIRJKBGWNQL-UHFFFAOYSA-N 0 0 427.486 2.562 50 0 IFAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000002652848 569414988 /nfs/dbraw/zinc/41/49/88/569414988.db2.gz ZSJVVRFFWDPSTK-UHFFFAOYSA-N 0 0 430.844 2.607 50 0 IFAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCC4)cc2)n1 ZINC000002652482 569414998 /nfs/dbraw/zinc/41/49/98/569414998.db2.gz LOMIDOJJZPGUKT-UHFFFAOYSA-N 0 0 438.509 2.934 50 0 IFAARN CCOC(=O)c1sc2[nH]c(CSc3nnnn3-c3ccccc3)nc(=O)c2c1C ZINC000002652605 569415056 /nfs/dbraw/zinc/41/50/56/569415056.db2.gz HKIYPYVLFAWYCB-UHFFFAOYSA-N 0 0 428.499 2.738 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)NCc1cccs1 ZINC000002653218 569415146 /nfs/dbraw/zinc/41/51/46/569415146.db2.gz XURSWBIPYVURIL-UHFFFAOYSA-N 0 0 441.486 2.599 50 0 IFAARN Cc1cc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)no1 ZINC000002652912 569415162 /nfs/dbraw/zinc/41/51/62/569415162.db2.gz FXBIEJKNDWHNCR-UHFFFAOYSA-N 0 0 441.893 2.607 50 0 IFAARN CCOc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1CCOC ZINC000002713825 569417896 /nfs/dbraw/zinc/41/78/96/569417896.db2.gz MQAHQEQQWKKIGK-UHFFFAOYSA-N 0 0 429.546 2.983 50 0 IFAARN COCCn1c(Cc2cccn2C)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000002713852 569417909 /nfs/dbraw/zinc/41/79/09/569417909.db2.gz XKECGGHBYQDCFL-UHFFFAOYSA-N 0 0 427.530 2.787 50 0 IFAARN O=C(NCCSc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000002721046 569418215 /nfs/dbraw/zinc/41/82/15/569418215.db2.gz KTLLURQGWNACRI-UHFFFAOYSA-N 0 0 445.566 2.711 50 0 IFAARN COc1cc(C=O)cc(I)c1OCC(=O)NCCc1ccccc1 ZINC000002767272 569420766 /nfs/dbraw/zinc/42/07/66/569420766.db2.gz IELPTWWINTVVFB-UHFFFAOYSA-N 0 0 439.249 2.850 50 0 IFAARN Cc1nn(C)cc1/C=C1/N=C(SCC(=O)NCc2ccccc2)N(CC(C)C)C1=O ZINC000002786051 569421293 /nfs/dbraw/zinc/42/12/93/569421293.db2.gz ZAKOERXUZADZJT-VXLYETTFSA-N 0 0 425.558 2.973 50 0 IFAARN C[C@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000028849965 569422884 /nfs/dbraw/zinc/42/28/84/569422884.db2.gz ZAWZRIUREYKRAA-HNNXBMFYSA-N 0 0 434.448 2.546 50 0 IFAARN COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)N3CCCC3)c(C)c2c1=O ZINC000002922811 569425490 /nfs/dbraw/zinc/42/54/90/569425490.db2.gz OYTGHNJGTOSAHR-UHFFFAOYSA-N 0 0 426.498 2.650 50 0 IFAARN CCCNC(=O)Cn1cnc2sc(C(=O)Nc3cc(OC)ccc3OC)c(C)c2c1=O ZINC000002937430 569426269 /nfs/dbraw/zinc/42/62/69/569426269.db2.gz PQOOOPAWSRUGKD-UHFFFAOYSA-N 0 0 444.513 2.562 50 0 IFAARN CCOc1ccc(-n2nc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3c2=O)cc1 ZINC000002942906 569426780 /nfs/dbraw/zinc/42/67/80/569426780.db2.gz NUWRGOYGXAVWFI-UHFFFAOYSA-N 0 0 435.480 2.764 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)Cn2c3ccccc3oc2=O)CC1 ZINC000056907918 569427553 /nfs/dbraw/zinc/42/75/53/569427553.db2.gz XVSZZVKJPIMBAN-UHFFFAOYSA-N 0 0 431.496 2.746 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3F)CC2)c(C)c1 ZINC000056997697 569428810 /nfs/dbraw/zinc/42/88/10/569428810.db2.gz BTOSYLMSTWDKSN-UHFFFAOYSA-N 0 0 448.564 2.583 50 0 IFAARN COc1ccc(N2C(=O)CN(Cc3ccccc3F)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000056998155 569429171 /nfs/dbraw/zinc/42/91/71/569429171.db2.gz AOLWPHSCDQGXKY-ROUUACIJSA-N 0 0 438.908 2.502 50 0 IFAARN NC(=O)[C@H]1CN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c2ccccc2O1 ZINC000029357182 569429952 /nfs/dbraw/zinc/42/99/52/569429952.db2.gz IIRXTESHUOJNPD-LJQANCHMSA-N 0 0 449.536 2.575 50 0 IFAARN CCn1c2ccc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc2[nH]c(=O)c1=O ZINC000029437224 569430178 /nfs/dbraw/zinc/43/01/78/569430178.db2.gz MDJNEVVCLKIJRS-UHFFFAOYSA-N 0 0 449.294 2.727 50 0 IFAARN CCOc1ccc(OCCNC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000057270817 569430293 /nfs/dbraw/zinc/43/02/93/569430293.db2.gz IVMBRVJTOMHBEJ-UHFFFAOYSA-N 0 0 444.507 2.569 50 0 IFAARN NC(=O)Cn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1cccs1 ZINC000029628114 569431570 /nfs/dbraw/zinc/43/15/70/569431570.db2.gz SHQBEKGTZYFPGE-UHFFFAOYSA-N 0 0 439.469 2.824 50 0 IFAARN O=C(c1ccc(F)cc1)N1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000029660655 569431684 /nfs/dbraw/zinc/43/16/84/569431684.db2.gz PMWHALREHYCKCG-SFHVURJKSA-N 0 0 437.309 2.786 50 0 IFAARN COCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002961008 569432745 /nfs/dbraw/zinc/43/27/45/569432745.db2.gz TXOLNYKLZBYKGL-UHFFFAOYSA-N 0 0 441.347 2.715 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000057415932 569434207 /nfs/dbraw/zinc/43/42/07/569434207.db2.gz WWJULIHYIDGKKU-FQEVSTJZSA-N 0 0 426.542 2.660 50 0 IFAARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000230089945 569434359 /nfs/dbraw/zinc/43/43/59/569434359.db2.gz NBEZVFUWBMAGIP-FXKZBUDASA-N 0 0 437.883 2.780 50 0 IFAARN COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccc(C)cc3)c2=O)cc1 ZINC000057426567 569434623 /nfs/dbraw/zinc/43/46/23/569434623.db2.gz OPRIOTNUYXABTB-UHFFFAOYSA-N 0 0 449.532 2.906 50 0 IFAARN COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)cc1 ZINC000057426580 569434636 /nfs/dbraw/zinc/43/46/36/569434636.db2.gz WRWMEWUGTFGXLI-UHFFFAOYSA-N 0 0 435.505 2.945 50 0 IFAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccc(F)cc2)c1=O)NCc1ccc(F)cc1 ZINC000057426521 569434640 /nfs/dbraw/zinc/43/46/40/569434640.db2.gz UXNFIBFDPRYYSG-UHFFFAOYSA-N 0 0 441.459 2.868 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccc(C)cc3)c2=O)c1 ZINC000057426831 569434707 /nfs/dbraw/zinc/43/47/07/569434707.db2.gz RGSBYHNVECJLFV-UHFFFAOYSA-N 0 0 449.532 2.906 50 0 IFAARN CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)c1 ZINC000057428040 569434806 /nfs/dbraw/zinc/43/48/06/569434806.db2.gz WOGXERKEUHSHLP-UHFFFAOYSA-N 0 0 427.526 2.731 50 0 IFAARN CCOC(=O)CN1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000057427876 569434853 /nfs/dbraw/zinc/43/48/53/569434853.db2.gz UJLQPKUWNRYASX-UHFFFAOYSA-N 0 0 436.512 2.996 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000057428883 569434991 /nfs/dbraw/zinc/43/49/91/569434991.db2.gz WGCYICIDQPSMRQ-UHFFFAOYSA-N 0 0 435.461 2.639 50 0 IFAARN COc1cc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3)c2=O)cc(OC)c1 ZINC000057428831 569434994 /nfs/dbraw/zinc/43/49/94/569434994.db2.gz RDJRLZOZPMKAKJ-UHFFFAOYSA-N 0 0 437.477 2.870 50 0 IFAARN O=C(Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O)NCc1ccccc1 ZINC000057428953 569435001 /nfs/dbraw/zinc/43/50/01/569435001.db2.gz DNAMWYBJMXQVKN-UHFFFAOYSA-N 0 0 427.432 2.809 50 0 IFAARN CS(=O)(=O)N1CCC(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CC1 ZINC000029825524 569435073 /nfs/dbraw/zinc/43/50/73/569435073.db2.gz HJKRWECIDPDOSS-NRFANRHFSA-N 0 0 426.542 2.534 50 0 IFAARN C[C@H]1C[C@H](C)CN(C(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3F)c2=O)C1 ZINC000057485987 569436370 /nfs/dbraw/zinc/43/63/70/569436370.db2.gz ZFTIXAMOMNXQLC-GJZGRUSLSA-N 0 0 429.517 2.917 50 0 IFAARN CCCCN(CC)C(=O)Cn1c2ccsc2c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000057486002 569436400 /nfs/dbraw/zinc/43/64/00/569436400.db2.gz VEQDTJHSPOKUBE-UHFFFAOYSA-N 0 0 429.542 2.930 50 0 IFAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2F)c1=O)Nc1ccc2c(c1)OCO2 ZINC000057490544 569437230 /nfs/dbraw/zinc/43/72/30/569437230.db2.gz WUSUDGKZOZPEMS-UHFFFAOYSA-N 0 0 439.424 2.720 50 0 IFAARN O=C(CSc1ncnc2nc(N3CCOCC3)sc21)NCc1ccccc1Cl ZINC000057506726 569438264 /nfs/dbraw/zinc/43/82/64/569438264.db2.gz VUXXJHCUAWNGEI-UHFFFAOYSA-N 0 0 435.962 2.985 50 0 IFAARN CCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2OC)c(-c2cccc(F)c2)n1 ZINC000057508254 569438361 /nfs/dbraw/zinc/43/83/61/569438361.db2.gz YENVQMUOYLZHLA-UHFFFAOYSA-N 0 0 425.460 2.945 50 0 IFAARN O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1ccc(F)cc1F ZINC000057520204 569438732 /nfs/dbraw/zinc/43/87/32/569438732.db2.gz UQSSYOKROVWWET-UHFFFAOYSA-N 0 0 430.440 2.564 50 0 IFAARN CCCCc1ccc(NC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)cc1 ZINC000057520716 569438789 /nfs/dbraw/zinc/43/87/89/569438789.db2.gz HPBKBUMJCJYOCP-UHFFFAOYSA-N 0 0 441.557 2.738 50 0 IFAARN CC(C)c1ccccc1NC(=O)Cn1c2nc(N3CCCC3)sc2c(=O)n(C)c1=O ZINC000057520742 569438824 /nfs/dbraw/zinc/43/88/24/569438824.db2.gz JTYOVTVZCGORNZ-UHFFFAOYSA-N 0 0 427.530 2.519 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3n3c(nnc3C(C)C)c2=O)cc1 ZINC000057522508 569438980 /nfs/dbraw/zinc/43/89/80/569438980.db2.gz IYFJMBSHZYCAII-UHFFFAOYSA-N 0 0 433.468 2.983 50 0 IFAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000057541485 569439577 /nfs/dbraw/zinc/43/95/77/569439577.db2.gz CLBUGGNGEOSSFD-UHFFFAOYSA-N 0 0 429.521 2.966 50 0 IFAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCN(c2cnccn2)C1 ZINC000030110468 569440765 /nfs/dbraw/zinc/44/07/65/569440765.db2.gz CCETZCBOMVQSJE-LBPRGKRZSA-N 0 0 428.846 2.989 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c1 ZINC000003216994 569441873 /nfs/dbraw/zinc/44/18/73/569441873.db2.gz IGBZRFJORLOTQB-UHFFFAOYSA-N 0 0 449.843 2.782 50 0 IFAARN C[C@@H]1CN(c2ccc(NC(=O)NCc3ccc(-n4cncn4)nc3)cc2F)C[C@H](C)O1 ZINC000057853902 569441970 /nfs/dbraw/zinc/44/19/70/569441970.db2.gz AFUUPIKGAVBBNT-GASCZTMLSA-N 0 0 425.468 2.737 50 0 IFAARN CC(=O)N1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000057860209 569442022 /nfs/dbraw/zinc/44/20/22/569442022.db2.gz WVOVUZFNCYFGHK-NRFANRHFSA-N 0 0 427.932 2.762 50 0 IFAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1)CCC3 ZINC000003267074 569443410 /nfs/dbraw/zinc/44/34/10/569443410.db2.gz DRTRRMUYLLQMQE-UHFFFAOYSA-N 0 0 434.568 2.867 50 0 IFAARN CCOC(=O)c1c(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2 ZINC000003273551 569443644 /nfs/dbraw/zinc/44/36/44/569443644.db2.gz IAYCKLOJFJKPGR-UHFFFAOYSA-N 0 0 436.555 2.981 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N2CCc3ccccc32)ccc1C ZINC000003288510 569444173 /nfs/dbraw/zinc/44/41/73/569444173.db2.gz PWMDOAIZNRECKV-UHFFFAOYSA-N 0 0 430.526 2.772 50 0 IFAARN O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)c1ccc(F)cc1 ZINC000003291878 569444465 /nfs/dbraw/zinc/44/44/65/569444465.db2.gz KHSFCYJYFGOADA-UHFFFAOYSA-N 0 0 432.473 2.851 50 0 IFAARN CC(C)[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000003293585 569444559 /nfs/dbraw/zinc/44/45/59/569444559.db2.gz QKIYZNJRXYEKLW-QGZVFWFLSA-N 0 0 432.542 2.809 50 0 IFAARN COc1ccc(N(C)C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)cc1OC ZINC000058016535 569445022 /nfs/dbraw/zinc/44/50/22/569445022.db2.gz IVRSOMJOKFXDSW-UHFFFAOYSA-N 0 0 441.484 2.874 50 0 IFAARN CC(C)C[C@H](C(=O)OCC(=O)N1CCc2ccccc2C1)N1C(=O)c2ccccc2C1=O ZINC000003313716 569445658 /nfs/dbraw/zinc/44/56/58/569445658.db2.gz CMNIAMUMZQGWOH-OAQYLSRUSA-N 0 0 434.492 2.825 50 0 IFAARN CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000058046661 569445922 /nfs/dbraw/zinc/44/59/22/569445922.db2.gz OXDVVOLFOOVOMM-HOTGVXAUSA-N 0 0 447.557 2.553 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)cc1 ZINC000058049696 569445989 /nfs/dbraw/zinc/44/59/89/569445989.db2.gz RKPHZBRADFSWHH-UHFFFAOYSA-N 0 0 441.509 2.726 50 0 IFAARN CCOC(=O)C1=C(CN2CCc3cc(OC)c(OC)cc3C2)NC(=O)N[C@@H]1c1ccco1 ZINC000030673069 569446059 /nfs/dbraw/zinc/44/60/59/569446059.db2.gz DRTHYXXFKGZSHW-OAQYLSRUSA-N 0 0 441.484 2.526 50 0 IFAARN CC(C)CN(C(=O)COC(=O)c1csc2c1CC[C@@H](C)C2)[C@H]1CCS(=O)(=O)C1 ZINC000003328640 569446303 /nfs/dbraw/zinc/44/63/03/569446303.db2.gz RWGXKNDZSFKDEH-CABCVRRESA-N 0 0 427.588 2.701 50 0 IFAARN O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 ZINC000058085877 569446920 /nfs/dbraw/zinc/44/69/20/569446920.db2.gz XRBSUBBULCVGMB-RTBURBONSA-N 0 0 435.981 2.542 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003341858 569446952 /nfs/dbraw/zinc/44/69/52/569446952.db2.gz KGEZJXZFZHBYJT-NSHDSACASA-N 0 0 430.404 2.798 50 0 IFAARN CSCC[C@H](C(=O)OCC(=O)Nc1ccccc1C)N1C(=O)c2ccccc2C1=O ZINC000003347185 569447131 /nfs/dbraw/zinc/44/71/31/569447131.db2.gz WIMKRSOTKURNNO-GOSISDBHSA-N 0 0 426.494 2.895 50 0 IFAARN CCOc1ccc2oc(=O)cc(CN3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)c2c1 ZINC000058092589 569447297 /nfs/dbraw/zinc/44/72/97/569447297.db2.gz CJQPTOUNDWXFGO-UHFFFAOYSA-N 0 0 436.464 2.878 50 0 IFAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(I)c1)C2=O ZINC000003362655 569447960 /nfs/dbraw/zinc/44/79/60/569447960.db2.gz XHPQTFLDSQYFNS-APPDUMDISA-N 0 0 441.269 2.730 50 0 IFAARN COc1ccc(NC(=O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1Cl ZINC000058135314 569448331 /nfs/dbraw/zinc/44/83/31/569448331.db2.gz GTBGRSDSUIPMKT-NTEUORMPSA-N 0 0 449.960 2.905 50 0 IFAARN Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)cc1 ZINC000058159656 569449111 /nfs/dbraw/zinc/44/91/11/569449111.db2.gz UXCZCABIVBDQKI-UHFFFAOYSA-N 0 0 446.554 2.730 50 0 IFAARN O=C(COC(=O)c1cccnc1Cl)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003397158 569449497 /nfs/dbraw/zinc/44/94/97/569449497.db2.gz JTFNBGDJSSHHAT-UHFFFAOYSA-N 0 0 437.905 2.705 50 0 IFAARN COC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000003415365 569450191 /nfs/dbraw/zinc/45/01/91/569450191.db2.gz IJBIMEFHQFNRNJ-MDZDMXLPSA-N 0 0 429.425 2.694 50 0 IFAARN COCCNc1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)s1 ZINC000003428661 569450734 /nfs/dbraw/zinc/45/07/34/569450734.db2.gz ZXQZDYZZLIYTTR-UHFFFAOYSA-N 0 0 428.337 2.659 50 0 IFAARN O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000030914757 569450841 /nfs/dbraw/zinc/45/08/41/569450841.db2.gz CQTRVJCXGMJQIZ-UHFFFAOYSA-N 0 0 442.566 2.569 50 0 IFAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003432229 569450883 /nfs/dbraw/zinc/45/08/83/569450883.db2.gz NSACJOIVHHVFDY-UHFFFAOYSA-N 0 0 430.404 2.858 50 0 IFAARN CC(C)(C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000003433740 569450942 /nfs/dbraw/zinc/45/09/42/569450942.db2.gz PNZSGAKKNPAHIL-UHFFFAOYSA-N 0 0 430.526 2.505 50 0 IFAARN CCC[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000003433756 569450968 /nfs/dbraw/zinc/45/09/68/569450968.db2.gz PCSFJKLTFVAJGT-QGZVFWFLSA-N 0 0 444.553 2.895 50 0 IFAARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 ZINC000003433927 569451007 /nfs/dbraw/zinc/45/10/07/569451007.db2.gz GYLIXASIJNMIOH-UHFFFAOYSA-N 0 0 429.454 2.826 50 0 IFAARN COc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000003434626 569451011 /nfs/dbraw/zinc/45/10/11/569451011.db2.gz WYJOJYYJZGKZFD-UHFFFAOYSA-N 0 0 429.420 2.651 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O ZINC000003441695 569451299 /nfs/dbraw/zinc/45/12/99/569451299.db2.gz SOKPLJBRWIBILB-LJQANCHMSA-N 0 0 426.494 2.589 50 0 IFAARN COc1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)cc(OC)c1OC ZINC000003450197 569451635 /nfs/dbraw/zinc/45/16/35/569451635.db2.gz KRLHUOGEEHCXQY-UHFFFAOYSA-N 0 0 433.465 2.555 50 0 IFAARN COc1ccccc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000003453840 569451704 /nfs/dbraw/zinc/45/17/04/569451704.db2.gz SBPURDPTVHSRNS-UHFFFAOYSA-N 0 0 446.525 2.974 50 0 IFAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cn2)CC1=O ZINC000030974079 569451916 /nfs/dbraw/zinc/45/19/16/569451916.db2.gz SDKCEVHHRMAVFZ-CQSZACIVSA-N 0 0 430.892 2.572 50 0 IFAARN Cn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000003485806 569452418 /nfs/dbraw/zinc/45/24/18/569452418.db2.gz NJYBZMVJRBPZPE-UHFFFAOYSA-N 0 0 445.932 2.805 50 0 IFAARN COc1ccc(C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)N1CCOCC1 ZINC000003492520 569452610 /nfs/dbraw/zinc/45/26/10/569452610.db2.gz RJJDKQZYQGCMNC-UHFFFAOYSA-N 0 0 425.510 2.654 50 0 IFAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000003495679 569452655 /nfs/dbraw/zinc/45/26/55/569452655.db2.gz OMKYXYFVYIOFRG-UHFFFAOYSA-N 0 0 444.509 2.700 50 0 IFAARN CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003496870 569452700 /nfs/dbraw/zinc/45/27/00/569452700.db2.gz RDRCCXUKRRQFOF-ZDUSSCGKSA-N 0 0 427.486 2.952 50 0 IFAARN CCOc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1 ZINC000003517935 569453138 /nfs/dbraw/zinc/45/31/38/569453138.db2.gz QZQWZECQTLWQSY-HXUWFJFHSA-N 0 0 447.557 2.729 50 0 IFAARN CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CCCOC ZINC000003524566 569453262 /nfs/dbraw/zinc/45/32/62/569453262.db2.gz FRTCPWWGPUGIPJ-GFCCVEGCSA-N 0 0 425.942 2.961 50 0 IFAARN CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000003522792 569453274 /nfs/dbraw/zinc/45/32/74/569453274.db2.gz FJCIGRJQTHTZKQ-CYBMUJFWSA-N 0 0 428.489 2.910 50 0 IFAARN CC(C)[C@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000003530273 569453320 /nfs/dbraw/zinc/45/33/20/569453320.db2.gz MYQZCEXIMJWOBA-KRWDZBQOSA-N 0 0 444.553 2.751 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1C ZINC000003557049 569453973 /nfs/dbraw/zinc/45/39/73/569453973.db2.gz AIHIVTGBTJWUPC-OAQYLSRUSA-N 0 0 444.553 2.593 50 0 IFAARN O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000031192582 569454632 /nfs/dbraw/zinc/45/46/32/569454632.db2.gz LZYHPIOSEGRGPJ-KRWDZBQOSA-N 0 0 429.517 2.724 50 0 IFAARN O=C(Nc1ccc(Br)cc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003611572 569454960 /nfs/dbraw/zinc/45/49/60/569454960.db2.gz KCQCTYLNFSCUBH-UHFFFAOYSA-N 0 0 443.294 2.861 50 0 IFAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NC[C@H]4CCCO4)cc3[nH]c2=S)c(OC)c1 ZINC000003631348 569455368 /nfs/dbraw/zinc/45/53/68/569455368.db2.gz TVXKEOLTMOXXCR-OAHLLOKOSA-N 0 0 441.509 2.600 50 0 IFAARN O=C(c1ccc(Br)cc1)N(CCc1ccccc1)C[C@H]1CN([N+](=O)[O-])CO1 ZINC000003642945 569455541 /nfs/dbraw/zinc/45/55/41/569455541.db2.gz JEBNXTMCFFOZQF-SFHVURJKSA-N 0 0 434.290 2.984 50 0 IFAARN COc1cccc(N2CCN(C(=O)CNC(=O)c3cccc(Br)c3)CC2)c1 ZINC000031359726 569456160 /nfs/dbraw/zinc/45/61/60/569456160.db2.gz ZODCXUZBJXIAQV-UHFFFAOYSA-N 0 0 432.318 2.536 50 0 IFAARN COc1cccc(N2CCN(C(=O)CCn3cnc4sc(C)c(C)c4c3=O)CC2)c1 ZINC000031386381 569456215 /nfs/dbraw/zinc/45/62/15/569456215.db2.gz PNYHMMKNXIEJTL-UHFFFAOYSA-N 0 0 426.542 2.822 50 0 IFAARN Cn1c(=O)c2ccc(C(=O)Nc3cccc(COc4cccc(F)c4)c3)nc2n(C)c1=O ZINC000031397075 569456227 /nfs/dbraw/zinc/45/62/27/569456227.db2.gz MJSBZZPIMBHPCZ-UHFFFAOYSA-N 0 0 434.427 2.603 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)CC(=O)Nc3ccc(C)cc3)C2)s1 ZINC000031408930 569456289 /nfs/dbraw/zinc/45/62/89/569456289.db2.gz GDPYSCGBXHVDGY-QGZVFWFLSA-N 0 0 449.598 2.863 50 0 IFAARN CNC(=O)c1ccc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000031538152 569456767 /nfs/dbraw/zinc/45/67/67/569456767.db2.gz KUHHHEIBDPDLSL-UHFFFAOYSA-N 0 0 433.505 2.921 50 0 IFAARN CCOc1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000031773790 569457318 /nfs/dbraw/zinc/45/73/18/569457318.db2.gz ZQGISIGBSODVRO-LEWJYISDSA-N 0 0 448.972 2.796 50 0 IFAARN Cn1cnnc1-c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)c1 ZINC000031808177 569457602 /nfs/dbraw/zinc/45/76/02/569457602.db2.gz OBFRHGJTNBPTIQ-UHFFFAOYSA-N 0 0 431.905 2.829 50 0 IFAARN O=C(Nc1ccc(C(=O)Nc2nc3ccccc3s2)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000031813824 569457944 /nfs/dbraw/zinc/45/79/44/569457944.db2.gz JEJRCPHUDJCTQW-AWEZNQCLSA-N 0 0 430.511 2.857 50 0 IFAARN O=C(NCCCCCCNC(=O)NC[C@@H](O)c1ccccc1)NC[C@@H](O)c1ccccc1 ZINC000004017859 569458219 /nfs/dbraw/zinc/45/82/19/569458219.db2.gz OIYRMNRLJKXYSD-FGZHOGPDSA-N 0 0 442.560 2.612 50 0 IFAARN O=C([C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCN(Cc2cccnc2)CC1 ZINC000059037340 569458633 /nfs/dbraw/zinc/45/86/33/569458633.db2.gz SVMLPSXJFASRQI-IBGZPJMESA-N 0 0 446.473 2.793 50 0 IFAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3cccnc3OC)c2)cc1 ZINC000032018067 569458853 /nfs/dbraw/zinc/45/88/53/569458853.db2.gz LTAZTQMNPFGUAZ-UHFFFAOYSA-N 0 0 427.482 2.830 50 0 IFAARN CC[C@@]1(C)Cc2nc3sc4c(ncn(CC(=O)NC[C@H]5CCCO5)c4=O)c3cc2CO1 ZINC000032074535 569459330 /nfs/dbraw/zinc/45/93/30/569459330.db2.gz GKBVDDIHZIJTGV-PEBXRYMYSA-N 0 0 442.541 2.543 50 0 IFAARN CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ncc(C)s1 ZINC000032074851 569459412 /nfs/dbraw/zinc/45/94/12/569459412.db2.gz KXJKXKCWBZANSU-ZBFHGGJFSA-N 0 0 432.571 2.681 50 0 IFAARN O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1Br ZINC000032096425 569459874 /nfs/dbraw/zinc/45/98/74/569459874.db2.gz BSAHNQHZUKPYEM-GFCCVEGCSA-N 0 0 434.265 2.696 50 0 IFAARN O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1Br ZINC000032096422 569459918 /nfs/dbraw/zinc/45/99/18/569459918.db2.gz BSAHNQHZUKPYEM-LBPRGKRZSA-N 0 0 434.265 2.696 50 0 IFAARN O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000032097140 569459950 /nfs/dbraw/zinc/45/99/50/569459950.db2.gz JMBIQTMAJKMETG-UHFFFAOYSA-N 0 0 432.929 2.802 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CCn2cnc3cc(OC)c(OC)cc3c2=O)cc1 ZINC000032105606 569460242 /nfs/dbraw/zinc/46/02/42/569460242.db2.gz AQNWVYZCLODFNI-UHFFFAOYSA-N 0 0 425.441 2.619 50 0 IFAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)[O-])=NC3=[NH+]2)cc1 ZINC000038180688 569462303 /nfs/dbraw/zinc/46/23/03/569462303.db2.gz WOVVFJRUWZRHOV-OALUTQOASA-N 0 0 435.484 2.785 50 0 IFAARN CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000008308401 569462551 /nfs/dbraw/zinc/46/25/51/569462551.db2.gz AUIKZJRXQLYXMR-UHFFFAOYSA-N 0 0 427.570 2.778 50 0 IFAARN COc1ccc(-c2cc3c4nn(CC(=O)Nc5cccc(C)c5)c(=O)n4ccn3n2)cc1 ZINC000038487536 569462902 /nfs/dbraw/zinc/46/29/02/569462902.db2.gz BEEKROFOQITKQQ-UHFFFAOYSA-N 0 0 428.452 2.766 50 0 IFAARN O=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)Nc1ccccc1 ZINC000038489231 569463061 /nfs/dbraw/zinc/46/30/61/569463061.db2.gz MWIQSXRDDSLUPX-UHFFFAOYSA-N 0 0 437.481 2.588 50 0 IFAARN O=C(Nc1cccnc1)c1ccccc1OCc1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000038489262 569463081 /nfs/dbraw/zinc/46/30/81/569463081.db2.gz GTZMWTKPGJCWSA-UHFFFAOYSA-N 0 0 443.481 2.527 50 0 IFAARN Cn1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1NC(=O)C[C@@H]2c1ccco1 ZINC000038519864 569463142 /nfs/dbraw/zinc/46/31/42/569463142.db2.gz LCCCCFRGRIYFIN-SWLSCSKDSA-N 0 0 437.431 2.618 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008399149 569463260 /nfs/dbraw/zinc/46/32/60/569463260.db2.gz PYOYTJDSQGNANU-OXRZLYTFSA-N 0 0 440.546 2.868 50 0 IFAARN CCOc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OCCOC)cc1Br ZINC000008399500 569463339 /nfs/dbraw/zinc/46/33/39/569463339.db2.gz LODIWOQFQSAMPW-OAHLLOKOSA-N 0 0 429.336 2.830 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(F)c3)c(=O)n2[C@@H]1c1ccc(O)cc1 ZINC000008432637 569464236 /nfs/dbraw/zinc/46/42/36/569464236.db2.gz BABJRTWFMGHNSW-VOMPUTFMSA-N 0 0 438.480 2.643 50 0 IFAARN CN(C(=O)Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)c1ccccc1 ZINC000067197258 569464423 /nfs/dbraw/zinc/46/44/23/569464423.db2.gz LLUQYEQPJWNUCR-UHFFFAOYSA-N 0 0 438.285 2.984 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204846 569464520 /nfs/dbraw/zinc/46/45/20/569464520.db2.gz KDPMQIVTNQPELQ-JOCHJYFZSA-N 0 0 438.503 2.737 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)cc1OC ZINC000008443434 569464672 /nfs/dbraw/zinc/46/46/72/569464672.db2.gz PHHXHCIBVMXISR-UHFFFAOYSA-N 0 0 427.530 2.747 50 0 IFAARN COc1ccc(N(C(=O)CNC(C)=O)[C@H](C(=O)Nc2ccccc2)c2ccncc2)cc1 ZINC000008445610 569464817 /nfs/dbraw/zinc/46/48/17/569464817.db2.gz GEPWLINATAACMG-QHCPKHFHSA-N 0 0 432.480 2.939 50 0 IFAARN COc1cc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)cc(OC)c1 ZINC000067226209 569465260 /nfs/dbraw/zinc/46/52/60/569465260.db2.gz AVIHTIMKUYKEEJ-ZDUSSCGKSA-N 0 0 443.529 2.745 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)Nc4cc(C)ccc4OC)c(=O)n3c(C)n2)cc1 ZINC000067226615 569465344 /nfs/dbraw/zinc/46/53/44/569465344.db2.gz JAGUGEBRJBPTCQ-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN Cc1cc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n(CC(C)C)c(=O)c2[nH]1 ZINC000067237815 569465548 /nfs/dbraw/zinc/46/55/48/569465548.db2.gz NELAFHSSPZIMOF-UHFFFAOYSA-N 0 0 428.514 2.826 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000067245543 569465918 /nfs/dbraw/zinc/46/59/18/569465918.db2.gz FGFJKXILOZOENK-UHFFFAOYSA-N 0 0 436.555 2.861 50 0 IFAARN CCOc1ccc(-n2ccn(CC(=O)Nc3ccc(Br)cc3)c(=O)c2=O)cc1 ZINC000067256030 569466068 /nfs/dbraw/zinc/46/60/68/569466068.db2.gz WRJABGDSLLVLBT-UHFFFAOYSA-N 0 0 444.285 2.799 50 0 IFAARN CCOc1ccccc1-n1ccn(CC(=O)Nc2ccc(Br)cc2)c(=O)c1=O ZINC000067256625 569466127 /nfs/dbraw/zinc/46/61/27/569466127.db2.gz WUUXZZXJAMHJIW-UHFFFAOYSA-N 0 0 444.285 2.799 50 0 IFAARN CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1cccc(Br)c1 ZINC000067286193 569466920 /nfs/dbraw/zinc/46/69/20/569466920.db2.gz FATRTIHZBNQUKD-INIZCTEOSA-N 0 0 440.363 2.669 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000067286685 569467065 /nfs/dbraw/zinc/46/70/65/569467065.db2.gz NTYDABKNWYJUAV-NRFANRHFSA-N 0 0 431.533 2.997 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1OC ZINC000067287373 569467220 /nfs/dbraw/zinc/46/72/20/569467220.db2.gz ISIUMSCHHUNPSC-NRFANRHFSA-N 0 0 447.532 2.615 50 0 IFAARN Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)N[C@H]3CCc4ccccc43)C3=C2C(=O)OC3)c1 ZINC000067288911 569467447 /nfs/dbraw/zinc/46/74/47/569467447.db2.gz DJCXHLMRMSEOHT-WMZHIEFXSA-N 0 0 431.492 2.984 50 0 IFAARN Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)N[C@@H]3CCc4ccccc43)C3=C2C(=O)OC3)c1 ZINC000067288904 569467462 /nfs/dbraw/zinc/46/74/62/569467462.db2.gz DJCXHLMRMSEOHT-XXBNENTESA-N 0 0 431.492 2.984 50 0 IFAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)c3)n2)c1 ZINC000067289614 569467529 /nfs/dbraw/zinc/46/75/29/569467529.db2.gz WAWYHXZSNBQZBE-UHFFFAOYSA-N 0 0 444.447 2.919 50 0 IFAARN Cc1nc(-c2ccccc2)n(CC(=O)NCc2ccc(F)c(Cl)c2)c(=O)c1CCO ZINC000067300354 569468186 /nfs/dbraw/zinc/46/81/86/569468186.db2.gz TVRXMFQEVNPPKN-UHFFFAOYSA-N 0 0 429.879 2.862 50 0 IFAARN Cc1nc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc(Cl)cc2)c(=O)c1CCO ZINC000067301005 569468251 /nfs/dbraw/zinc/46/82/51/569468251.db2.gz HJZUMLGSHDQDRR-UHFFFAOYSA-N 0 0 429.879 2.862 50 0 IFAARN Cc1nc(-c2cccc(F)c2)n(CC(=O)NCc2ccc(Cl)cc2)c(=O)c1CCO ZINC000067316827 569468404 /nfs/dbraw/zinc/46/84/04/569468404.db2.gz PTPJDFVMQBJMBF-UHFFFAOYSA-N 0 0 429.879 2.862 50 0 IFAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)cc1OC ZINC000067322898 569468710 /nfs/dbraw/zinc/46/87/10/569468710.db2.gz DBYUCIMWXGNPKV-UHFFFAOYSA-N 0 0 427.436 2.942 50 0 IFAARN CC(C)(C)OC(=O)NC1CCN(c2ncc(C(=O)NCc3ccccc3F)c(N)n2)CC1 ZINC000067336650 569468945 /nfs/dbraw/zinc/46/89/45/569468945.db2.gz QZHLPOWADGPDRK-UHFFFAOYSA-N 0 0 444.511 2.621 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC ZINC000038834993 569469207 /nfs/dbraw/zinc/46/92/07/569469207.db2.gz BRCXYTUYOSBGMA-QGZVFWFLSA-N 0 0 440.905 2.913 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(OC)c1 ZINC000038834682 569469242 /nfs/dbraw/zinc/46/92/42/569469242.db2.gz BRKQKBLFORARTD-QGZVFWFLSA-N 0 0 440.905 2.913 50 0 IFAARN CCOC(=O)N1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)CC1 ZINC000008661413 569469784 /nfs/dbraw/zinc/46/97/84/569469784.db2.gz AYQXNNKSDPYHLY-FGZHOGPDSA-N 0 0 433.508 2.824 50 0 IFAARN COc1ccc(-c2nnn(C3CCN(CC(=O)Nc4ccc(C)cc4)CC3)n2)cc1OC ZINC000008694524 569470077 /nfs/dbraw/zinc/47/00/77/569470077.db2.gz ODAUORIXAGBYFK-UHFFFAOYSA-N 0 0 436.516 2.941 50 0 IFAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008704042 569470290 /nfs/dbraw/zinc/47/02/90/569470290.db2.gz NXZHYNQCSNSFKP-OAHLLOKOSA-N 0 0 448.595 2.841 50 0 IFAARN COc1ccccc1-n1cnnc1SCC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000008721366 569471717 /nfs/dbraw/zinc/47/17/17/569471717.db2.gz XBRDRFBKBFSCKU-UHFFFAOYSA-N 0 0 440.525 2.970 50 0 IFAARN Cc1c(C)n([C@H](C)c2ccccc2)c2nc3c(c(=O)n(CC(=O)C(C)(C)C)c(=O)n3C)n12 ZINC000008724572 569471980 /nfs/dbraw/zinc/47/19/80/569471980.db2.gz PLGLVFCVDHUYES-MRXNPFEDSA-N 0 0 435.528 2.991 50 0 IFAARN Cc1sc2nc(CN3CCN(S(=O)(=O)c4ccccc4F)CC3)nc(N)c2c1C ZINC000008735207 569472611 /nfs/dbraw/zinc/47/26/11/569472611.db2.gz PFIVIRUMRDBUSB-UHFFFAOYSA-N 0 0 435.550 2.536 50 0 IFAARN O=C(COc1cccc2c1CCC[C@@H]2O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008751127 569473410 /nfs/dbraw/zinc/47/34/10/569473410.db2.gz FKGRMUJSBKOSOY-FQEVSTJZSA-N 0 0 430.526 2.858 50 0 IFAARN O=C(COc1cccc(N2CCCC2=O)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008751105 569473444 /nfs/dbraw/zinc/47/34/44/569473444.db2.gz UDPUFFNDCCRLLY-UHFFFAOYSA-N 0 0 443.525 2.615 50 0 IFAARN CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)C1=O ZINC000008752085 569473503 /nfs/dbraw/zinc/47/35/03/569473503.db2.gz KDSOKXDQDDTZKQ-GIGQVBGESA-N 0 0 449.558 2.767 50 0 IFAARN CCOc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000008753697 569473751 /nfs/dbraw/zinc/47/37/51/569473751.db2.gz AFQOQTTVTGURKI-CYBMUJFWSA-N 0 0 427.486 2.967 50 0 IFAARN COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N(C)c3ccccc3)c2C)cc1 ZINC000008754960 569473916 /nfs/dbraw/zinc/47/39/16/569473916.db2.gz NEVMKMHAZZKIFF-UHFFFAOYSA-N 0 0 435.527 2.571 50 0 IFAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000008755332 569473966 /nfs/dbraw/zinc/47/39/66/569473966.db2.gz JUZVEBDURXXWST-UHFFFAOYSA-N 0 0 445.472 2.608 50 0 IFAARN COc1ccc(C(=O)N(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000008763797 569474535 /nfs/dbraw/zinc/47/45/35/569474535.db2.gz AOJNDBLKJNANFH-UHFFFAOYSA-N 0 0 442.449 2.764 50 0 IFAARN CC[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2c([O-])[nH]c(=O)n(Cc3ccc(OC)cc3)c2=O)[NH2+]1 ZINC000008764234 569474550 /nfs/dbraw/zinc/47/45/50/569474550.db2.gz MUKRCJBRCWHPMC-IVZQSRNASA-N 0 0 446.507 2.794 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1c[nH]c2ccccc12 ZINC000008765090 569474654 /nfs/dbraw/zinc/47/46/54/569474654.db2.gz PZBXBGYFAOJASA-IBGZPJMESA-N 0 0 448.479 2.661 50 0 IFAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c(C)c21 ZINC000008764893 569474695 /nfs/dbraw/zinc/47/46/95/569474695.db2.gz WDQMALAQNAYLIS-OAHLLOKOSA-N 0 0 431.510 2.961 50 0 IFAARN COc1ccc(CC(=O)Nc2nc(S(=O)(=O)Cc3ccccc3)ns2)cc1OC ZINC000008769791 569475058 /nfs/dbraw/zinc/47/50/58/569475058.db2.gz CCMAYWZHPPJDQL-UHFFFAOYSA-N 0 0 433.511 2.710 50 0 IFAARN O=C1NC2(CCN(S(=O)(=O)c3ccccc3Cl)CC2)C(=O)N1Cc1ccccc1 ZINC000008769365 569475084 /nfs/dbraw/zinc/47/50/84/569475084.db2.gz GNOFGGYBRJKLSW-UHFFFAOYSA-N 0 0 433.917 2.615 50 0 IFAARN CC(C)C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000008770891 569475164 /nfs/dbraw/zinc/47/51/64/569475164.db2.gz DQHBYLXPJABSJH-QGZVFWFLSA-N 0 0 443.525 2.940 50 0 IFAARN O=C(CSc1ccc2ccccc2c1)OCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000008778243 569475452 /nfs/dbraw/zinc/47/54/52/569475452.db2.gz ZAVVMTUFBRGVRN-SFHVURJKSA-N 0 0 433.551 2.653 50 0 IFAARN COC(=O)c1ccccc1NC(=O)COC(=O)CSCC(=O)Nc1ccc(C)cc1C ZINC000008824792 569477253 /nfs/dbraw/zinc/47/72/53/569477253.db2.gz HCLAGGQDOKCVHB-UHFFFAOYSA-N 0 0 444.509 2.944 50 0 IFAARN CCCCn1nnnc1COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1 ZINC000008824948 569477276 /nfs/dbraw/zinc/47/72/76/569477276.db2.gz RAUMLEQLQFMXFV-UHFFFAOYSA-N 0 0 429.433 2.693 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1cc(Br)ccc1N(CC(C)C)C2=O ZINC000008843715 569478490 /nfs/dbraw/zinc/47/84/90/569478490.db2.gz YHEJRLRWACPDST-QGZVFWFLSA-N 0 0 439.335 2.607 50 0 IFAARN COc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCO)ccc1O ZINC000008845283 569478715 /nfs/dbraw/zinc/47/87/15/569478715.db2.gz KVLKBRORJHJJEL-FQEVSTJZSA-N 0 0 429.860 2.996 50 0 IFAARN COc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc(OC)c1OC ZINC000008845258 569478753 /nfs/dbraw/zinc/47/87/53/569478753.db2.gz LVDBJIFFSMVBQG-OAQYLSRUSA-N 0 0 439.468 2.654 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000008849384 569479226 /nfs/dbraw/zinc/47/92/26/569479226.db2.gz JSLRBFPINDOGKY-GOSISDBHSA-N 0 0 427.526 2.598 50 0 IFAARN CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2)[C@H]1c1ccccc1OC ZINC000008853220 569479577 /nfs/dbraw/zinc/47/95/77/569479577.db2.gz YNIZTRQYJKWCOQ-NFBKMPQASA-N 0 0 441.572 2.856 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000008854801 569479592 /nfs/dbraw/zinc/47/95/92/569479592.db2.gz FFNOISLMCFDMHP-YWFITGJYSA-N 0 0 438.480 2.643 50 0 IFAARN COC(=O)C1CCN(C(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)CC1 ZINC000008865064 569480197 /nfs/dbraw/zinc/48/01/97/569480197.db2.gz KXSGKNSUMINEJE-UHFFFAOYSA-N 0 0 440.521 2.886 50 0 IFAARN COc1cc(N2C[C@H](CNC(=O)Nc3ccc4c(c3)OCO4)OC2=O)cc(OC)c1OC ZINC000008867617 569480262 /nfs/dbraw/zinc/48/02/62/569480262.db2.gz UOGBLNLCAUGTBG-AWEZNQCLSA-N 0 0 445.428 2.588 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)C[C@@H](C)O1 ZINC000008868045 569480326 /nfs/dbraw/zinc/48/03/26/569480326.db2.gz VHROSZQMKWDODV-HUUCEWRRSA-N 0 0 442.493 2.843 50 0 IFAARN Cc1cc(OCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c3c(c(=O)oc2c1)CCC3 ZINC000008877713 569481239 /nfs/dbraw/zinc/48/12/39/569481239.db2.gz AGEMYBPIPGXGLB-SJORKVTESA-N 0 0 446.503 2.777 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccc(F)cc3)CC2)c1 ZINC000039448987 569481583 /nfs/dbraw/zinc/48/15/83/569481583.db2.gz WIVINMZMEWHACM-UHFFFAOYSA-N 0 0 432.517 2.939 50 0 IFAARN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000039569365 569481782 /nfs/dbraw/zinc/48/17/82/569481782.db2.gz MQCMEISPZKFWFA-SNVBAGLBSA-N 0 0 441.292 2.847 50 0 IFAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc(OC)c1OC ZINC000039588589 569481841 /nfs/dbraw/zinc/48/18/41/569481841.db2.gz JZRFWFBQXLJFLW-QPJJXVBHSA-N 0 0 429.425 2.679 50 0 IFAARN COc1cc2c(cc1OC)[C@@]1(Nn3c(nc4ccccc4c3=O)C2)c2ccccc2NC1=O ZINC000039930102 569481994 /nfs/dbraw/zinc/48/19/94/569481994.db2.gz OQGWPEPOKCNVFX-VWLOTQADSA-N 0 0 440.459 2.757 50 0 IFAARN CCOc1cc(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)ccc1OC(F)F ZINC000039976675 569482204 /nfs/dbraw/zinc/48/22/04/569482204.db2.gz PBEVBOVHAWDJKV-ZDUSSCGKSA-N 0 0 429.445 2.804 50 0 IFAARN CC(C)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1 ZINC000040020169 569482708 /nfs/dbraw/zinc/48/27/08/569482708.db2.gz KJFIZEVTONFNPT-HXUWFJFHSA-N 0 0 439.578 2.707 50 0 IFAARN COCCNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C ZINC000008886853 569483191 /nfs/dbraw/zinc/48/31/91/569483191.db2.gz BDLWWTCIAOLVEV-GOEBONIOSA-N 0 0 432.550 2.656 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000040037697 569483291 /nfs/dbraw/zinc/48/32/91/569483291.db2.gz YDQNAIDKMNANIK-CYBMUJFWSA-N 0 0 426.539 2.574 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)n1 ZINC000040042819 569483508 /nfs/dbraw/zinc/48/35/08/569483508.db2.gz KSGQPDBPVHNBTJ-HNNXBMFYSA-N 0 0 436.472 2.694 50 0 IFAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(-c2ccccc2)cc1 ZINC000008895315 569483790 /nfs/dbraw/zinc/48/37/90/569483790.db2.gz LUWUJQLUIQWKQS-UHFFFAOYSA-N 0 0 437.521 2.939 50 0 IFAARN COc1ccc(CCN2C(=O)c3ccc(C(=O)NCc4ccccn4)cc3C2=O)cc1OC ZINC000008906897 569484584 /nfs/dbraw/zinc/48/45/84/569484584.db2.gz RSOCNCCYSGFDEM-UHFFFAOYSA-N 0 0 445.475 2.868 50 0 IFAARN O=C(CNC(=O)c1c2c(sc1-n1cccc1)CCCC2)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000040058036 569484609 /nfs/dbraw/zinc/48/46/09/569484609.db2.gz NVEHXJNUXVTCBD-UHFFFAOYSA-N 0 0 435.509 2.956 50 0 IFAARN CCOC(=O)c1sc(NC(=O)COC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1C ZINC000040059753 569484819 /nfs/dbraw/zinc/48/48/19/569484819.db2.gz CHAVWRLNVVYMQV-AWEZNQCLSA-N 0 0 448.497 2.860 50 0 IFAARN CCc1nn(CC(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2cc3sccc3n21 ZINC000008911539 569484827 /nfs/dbraw/zinc/48/48/27/569484827.db2.gz DMLTVCLFZOZOTO-UHFFFAOYSA-N 0 0 426.498 2.607 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)cc1OC ZINC000008912623 569485059 /nfs/dbraw/zinc/48/50/59/569485059.db2.gz NIVIOEBSLHEOFK-QGZVFWFLSA-N 0 0 441.557 2.921 50 0 IFAARN Cc1ccccc1C(=O)N[C@H](C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1)C(C)C ZINC000040069384 569485312 /nfs/dbraw/zinc/48/53/12/569485312.db2.gz DDJDZAOQYVEVEX-NRFANRHFSA-N 0 0 445.585 2.753 50 0 IFAARN CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 ZINC000008917064 569485891 /nfs/dbraw/zinc/48/58/91/569485891.db2.gz OWQGUVWYYAEYSY-YWZLYKJASA-N 0 0 439.489 2.924 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCc2sccc2[C@H]1C1CC1 ZINC000008918754 569486351 /nfs/dbraw/zinc/48/63/51/569486351.db2.gz KTPXUXSKFCJRIH-OAQYLSRUSA-N 0 0 449.598 2.955 50 0 IFAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000040080344 569486605 /nfs/dbraw/zinc/48/66/05/569486605.db2.gz ZZQGWHINWUYDQG-OAHLLOKOSA-N 0 0 429.908 2.747 50 0 IFAARN Cc1oc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c2c1c(C)n[nH]c2=O ZINC000008921073 569486826 /nfs/dbraw/zinc/48/68/26/569486826.db2.gz BBLDLVQOZPTHTF-UHFFFAOYSA-N 0 0 441.425 2.642 50 0 IFAARN O=C1NC(=O)[C@](CCCCCC[C@@]2(c3ccccc3)NC(=O)NC2=O)(c2ccccc2)N1 ZINC000008925983 569487182 /nfs/dbraw/zinc/48/71/82/569487182.db2.gz TZOQNPJTEOEUQT-ZEQRLZLVSA-N 0 0 434.496 2.797 50 0 IFAARN CC(C)C[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000008924856 569487202 /nfs/dbraw/zinc/48/72/02/569487202.db2.gz AMDKBGAYUPCYEF-YWZLYKJASA-N 0 0 442.537 2.978 50 0 IFAARN Cn1c2nc(NCc3ccc(Cl)cc3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000008926318 569487222 /nfs/dbraw/zinc/48/72/22/569487222.db2.gz PWJSIQCPSLHMEG-UHFFFAOYSA-N 0 0 427.867 2.887 50 0 IFAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)NC[C@H]1CCCO1 ZINC000008933359 569487819 /nfs/dbraw/zinc/48/78/19/569487819.db2.gz YGTKPJAGRBKYDZ-GOSISDBHSA-N 0 0 434.471 2.834 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCc4ccc(OC(C)C)cc4)C3)sc2n1 ZINC000008933808 569487842 /nfs/dbraw/zinc/48/78/42/569487842.db2.gz CNDJFCXWXJEHLS-QGZVFWFLSA-N 0 0 441.557 2.779 50 0 IFAARN COc1ccc(CNS(=O)(=O)c2cc(OC)c(OC)cc2Br)cc1OC ZINC000008936341 569488067 /nfs/dbraw/zinc/48/80/67/569488067.db2.gz VDPQDVRWADYFAF-UHFFFAOYSA-N 0 0 446.319 2.962 50 0 IFAARN O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000040104497 569488159 /nfs/dbraw/zinc/48/81/59/569488159.db2.gz RYTGADQRTKMXAL-APWZRJJASA-N 0 0 444.557 2.859 50 0 IFAARN Cc1ccc(C2=NN(C(=O)COC(=O)CN3CCSC3=O)[C@@H](c3ccco3)C2)cc1 ZINC000008937989 569488204 /nfs/dbraw/zinc/48/82/04/569488204.db2.gz DFIYHBSYVKNAFR-QGZVFWFLSA-N 0 0 427.482 2.978 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000008938969 569488215 /nfs/dbraw/zinc/48/82/15/569488215.db2.gz QCWYMVVHLLFFAX-KXBFYZLASA-N 0 0 438.933 2.599 50 0 IFAARN COc1cc([C@@H](C)NC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC ZINC000040111824 569488856 /nfs/dbraw/zinc/48/88/56/569488856.db2.gz AGJZLIDWTXHOFX-CQSZACIVSA-N 0 0 426.469 2.884 50 0 IFAARN CN(CCCC(=O)Nc1cccc(N2CCCC2=O)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000008944348 569488906 /nfs/dbraw/zinc/48/89/06/569488906.db2.gz YHEFKXRWAUYMEP-UHFFFAOYSA-N 0 0 433.505 2.992 50 0 IFAARN CSc1nc2c(cnn2CCNC(=O)c2ccc3c(c2)OCO3)c(N2CCCCC2)n1 ZINC000008945711 569489050 /nfs/dbraw/zinc/48/90/50/569489050.db2.gz BZUFCSUGAUXMMH-UHFFFAOYSA-N 0 0 440.529 2.697 50 0 IFAARN C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O ZINC000040116730 569489298 /nfs/dbraw/zinc/48/92/98/569489298.db2.gz JZZJTDFQZRZUMR-GOSISDBHSA-N 0 0 426.416 2.946 50 0 IFAARN COc1ccc(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1NC(=O)OC(C)(C)C ZINC000040120309 569489443 /nfs/dbraw/zinc/48/94/43/569489443.db2.gz JRXOYJVQGSQJCU-AWEZNQCLSA-N 0 0 442.538 2.588 50 0 IFAARN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC(C)C)C1 ZINC000040121297 569489515 /nfs/dbraw/zinc/48/95/15/569489515.db2.gz BACVVMRGDHHJHW-UYAOXDASSA-N 0 0 429.561 2.701 50 0 IFAARN CC(=O)Nc1nc(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cs1 ZINC000040122049 569489626 /nfs/dbraw/zinc/48/96/26/569489626.db2.gz QRWHDMJXYSOHIY-UHFFFAOYSA-N 0 0 426.420 2.719 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3N3CCCCC3)CC2)cc1 ZINC000040129204 569489792 /nfs/dbraw/zinc/48/97/92/569489792.db2.gz KMTMDWLDCORKQY-UHFFFAOYSA-N 0 0 428.558 2.527 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CS[C@@H]3c4ccc(OC)c(OC)c4C(=O)N23)cc1OC ZINC000008952506 569489999 /nfs/dbraw/zinc/48/99/99/569489999.db2.gz ADUXTQYONUYMTA-RCDICMHDSA-N 0 0 444.509 2.607 50 0 IFAARN Cc1oc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)cc1S(=O)(=O)N1CCCC1 ZINC000040133450 569490443 /nfs/dbraw/zinc/49/04/43/569490443.db2.gz RRKCVSKNMKUKKW-CQSZACIVSA-N 0 0 437.587 2.611 50 0 IFAARN Cc1c2cnn(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)c2c(C)n1Cc1ccccc1 ZINC000008965382 569491439 /nfs/dbraw/zinc/49/14/39/569491439.db2.gz FSUZGWDMVBDONW-UHFFFAOYSA-N 0 0 444.491 2.908 50 0 IFAARN CC(C)CCN(C(=O)COC1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000040140423 569491553 /nfs/dbraw/zinc/49/15/53/569491553.db2.gz QZNZNPQETBXPAA-UHFFFAOYSA-N 0 0 428.533 2.505 50 0 IFAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 ZINC000008966088 569491681 /nfs/dbraw/zinc/49/16/81/569491681.db2.gz YQCDHCCZEURKEF-MRXNPFEDSA-N 0 0 434.496 2.981 50 0 IFAARN O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000008966282 569491714 /nfs/dbraw/zinc/49/17/14/569491714.db2.gz ZZWCKRHIFVRKAB-UHFFFAOYSA-N 0 0 439.537 2.563 50 0 IFAARN O=C(NCc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1)c1cccs1 ZINC000040143643 569491988 /nfs/dbraw/zinc/49/19/88/569491988.db2.gz UBDDKSDXOXPVBU-UHFFFAOYSA-N 0 0 426.498 2.578 50 0 IFAARN Cc1ccc(C)n1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000040146536 569492271 /nfs/dbraw/zinc/49/22/71/569492271.db2.gz VYXCFTAMAAZPMG-UHFFFAOYSA-N 0 0 429.464 2.657 50 0 IFAARN C[C@]1(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCS(=O)(=O)C1 ZINC000069084666 569492342 /nfs/dbraw/zinc/49/23/42/569492342.db2.gz MHHHRCUBLQJJSF-RXVVDRJESA-N 0 0 434.945 2.895 50 0 IFAARN COc1cc([C@@H]2OCCn3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000008971670 569492709 /nfs/dbraw/zinc/49/27/09/569492709.db2.gz ORCDBPPULHCIMB-QHCPKHFHSA-N 0 0 447.491 2.848 50 0 IFAARN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)CC1 ZINC000040150135 569493102 /nfs/dbraw/zinc/49/31/02/569493102.db2.gz XHSCUBWKHYITPA-UHFFFAOYSA-N 0 0 439.534 2.518 50 0 IFAARN CCOC(=O)COc1ccc([C@@H](C)NC(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000040149978 569493107 /nfs/dbraw/zinc/49/31/07/569493107.db2.gz LUPLFKBVDGSXLW-CQSZACIVSA-N 0 0 430.457 2.926 50 0 IFAARN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000040150820 569493201 /nfs/dbraw/zinc/49/32/01/569493201.db2.gz IDGNNTNLGAXEFS-QGZVFWFLSA-N 0 0 427.954 3.000 50 0 IFAARN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000040154306 569493782 /nfs/dbraw/zinc/49/37/82/569493782.db2.gz CIGJPHDZGFYAIO-OAHLLOKOSA-N 0 0 439.534 2.602 50 0 IFAARN COCCN(Cc1ccccn1)S(=O)(=O)c1cc(C(=O)OC)sc1Br ZINC000040156735 569494162 /nfs/dbraw/zinc/49/41/62/569494162.db2.gz VZFXHKFIZSHSLB-UHFFFAOYSA-N 0 0 449.348 2.530 50 0 IFAARN Cc1ccc(C2=NN(C(=O)COC(=O)CNC(=O)c3ccco3)[C@@H](c3ccco3)C2)cc1 ZINC000040159025 569494650 /nfs/dbraw/zinc/49/46/50/569494650.db2.gz AHXFTSGHYCFRGX-GOSISDBHSA-N 0 0 435.436 2.832 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)COc1ccc(-c2nnco2)cc1 ZINC000008988487 569494947 /nfs/dbraw/zinc/49/49/47/569494947.db2.gz WEJIJFHQOYBRIH-UHFFFAOYSA-N 0 0 445.273 2.941 50 0 IFAARN CCn1c(CCC(=O)OCCOc2cccc(C)c2)nc2cc(S(N)(=O)=O)ccc21 ZINC000040161943 569495208 /nfs/dbraw/zinc/49/52/08/569495208.db2.gz SZLBVCCKQBMWCO-UHFFFAOYSA-N 0 0 431.514 2.567 50 0 IFAARN COc1c(F)c(F)cc2c(=O)c(C(=O)N[C@H](CO)Cc3ccccc3)cn(C3CC3)c21 ZINC000008992307 569495369 /nfs/dbraw/zinc/49/53/69/569495369.db2.gz ZJEMLBLIRHAGMO-AWEZNQCLSA-N 0 0 428.435 2.957 50 0 IFAARN COc1ccc(-n2nnc(C(=O)NCCc3ccc(OC)c(OC)c3)c2N)cc1Cl ZINC000008992670 569495396 /nfs/dbraw/zinc/49/53/96/569495396.db2.gz AUXMVFGYWDGOEN-UHFFFAOYSA-N 0 0 431.880 2.501 50 0 IFAARN CC(C)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)cc1 ZINC000009000972 569495974 /nfs/dbraw/zinc/49/59/74/569495974.db2.gz IRPABGMEQYHBAH-UHFFFAOYSA-N 0 0 429.480 2.764 50 0 IFAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccncc2)c1=O)Nc1cccc2ccccc21 ZINC000009001564 569496007 /nfs/dbraw/zinc/49/60/07/569496007.db2.gz IUYLLOXLMYQIEW-UHFFFAOYSA-N 0 0 437.459 2.793 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2cccnc2c(=O)n(Cc2ccncc2)c1=O ZINC000009001532 569496013 /nfs/dbraw/zinc/49/60/13/569496013.db2.gz IDYLUTHSRUWCSO-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN COc1ccc(-c2nc(CNC(=O)C3CN(c4cc(-n5cccn5)ncn4)C3)cs2)cc1 ZINC000244909788 569496448 /nfs/dbraw/zinc/49/64/48/569496448.db2.gz AVLQHCWHNWELEY-UHFFFAOYSA-N 0 0 447.524 2.547 50 0 IFAARN Cc1cc(OC2CN(S(=O)(=O)c3ccc(Br)s3)C2)cc(=O)n1C1CC1 ZINC000244975131 569496688 /nfs/dbraw/zinc/49/66/88/569496688.db2.gz ICTNMWYNIHLILX-UHFFFAOYSA-N 0 0 445.360 2.768 50 0 IFAARN Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nnc1SCC(=O)Nc1nccs1 ZINC000009031150 569497109 /nfs/dbraw/zinc/49/71/09/569497109.db2.gz GSOKTIVIRNTPQE-UHFFFAOYSA-N 0 0 440.913 2.976 50 0 IFAARN Cc1cccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](Oc3cccc4cccnc43)C2)c1 ZINC000245093434 569497247 /nfs/dbraw/zinc/49/72/47/569497247.db2.gz RNGHJQDFWSMBHL-LJQANCHMSA-N 0 0 439.537 2.892 50 0 IFAARN O=C1C[C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1ccc2c(c1)OCO2 ZINC000009037516 569497351 /nfs/dbraw/zinc/49/73/51/569497351.db2.gz AFTQIPIAOJZZTQ-GFCCVEGCSA-N 0 0 442.415 2.766 50 0 IFAARN COc1ccc2c(CCNC(=O)CSc3nnnn3-c3ccccc3OC)c[nH]c2c1 ZINC000009042609 569497801 /nfs/dbraw/zinc/49/78/01/569497801.db2.gz OZMUORJKRIGXBD-UHFFFAOYSA-N 0 0 438.513 2.612 50 0 IFAARN CC[C@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000009049269 569498543 /nfs/dbraw/zinc/49/85/43/569498543.db2.gz SEKLEKAWCKEBFK-INIZCTEOSA-N 0 0 430.526 2.505 50 0 IFAARN O=c1[nH]nc(SCc2nnc(-c3ccc(Br)s3)o2)n1C[C@@H]1CCCO1 ZINC000009050011 569498631 /nfs/dbraw/zinc/49/86/31/569498631.db2.gz SQPXIDMODOPBNI-QMMMGPOBSA-N 0 0 444.336 2.917 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccn1 ZINC000040309367 569498704 /nfs/dbraw/zinc/49/87/04/569498704.db2.gz LILIOJMUKFICJX-HXUWFJFHSA-N 0 0 437.456 2.788 50 0 IFAARN O=C(NCc1ccccn1)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 ZINC000009061284 569499647 /nfs/dbraw/zinc/49/96/47/569499647.db2.gz PZFATHDPBKJXOJ-OEMYIYORSA-N 0 0 429.398 2.703 50 0 IFAARN COc1ccc(N2C(=O)[C@H]3[C@@H]4c5ccccc5C=NN4[C@@H](C(=O)OC(C)(C)C)[C@H]3C2=O)cc1 ZINC000009076246 569500270 /nfs/dbraw/zinc/50/02/70/569500270.db2.gz ISZOPQBEIHDNBZ-IVAOSVALSA-N 0 0 447.491 2.916 50 0 IFAARN COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4nnnn4-c4ccccc4)C3=O)ccc2c1 ZINC000009076929 569500385 /nfs/dbraw/zinc/50/03/85/569500385.db2.gz AWZIZTZBPJFMEF-HSZRJFAPSA-N 0 0 428.452 2.791 50 0 IFAARN CCNS(=O)(=O)c1cc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)[nH]n2)ccc1OC ZINC000245239528 569500524 /nfs/dbraw/zinc/50/05/24/569500524.db2.gz KAWVJZZEIWOZJJ-IIAWOOMASA-N 0 0 434.562 2.938 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)cc1 ZINC000009095640 569501365 /nfs/dbraw/zinc/50/13/65/569501365.db2.gz MMBFTNOUXMNPML-INIZCTEOSA-N 0 0 448.545 2.785 50 0 IFAARN Cn1c2nc3n(cc(-c4ccc(Cl)cc4Cl)n3C[C@H]3CCCO3)c2c(=O)n(C)c1=O ZINC000009110410 569502156 /nfs/dbraw/zinc/50/21/56/569502156.db2.gz PGIGAYUUJPVGSJ-GFCCVEGCSA-N 0 0 448.310 2.839 50 0 IFAARN O=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)NCCc1ccccc1 ZINC000009118387 569503340 /nfs/dbraw/zinc/50/33/40/569503340.db2.gz NSSALODGMSASNF-UHFFFAOYSA-N 0 0 437.565 2.951 50 0 IFAARN O=C(CSc1ncnc2ccccc21)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009119445 569503501 /nfs/dbraw/zinc/50/35/01/569503501.db2.gz BLNUCNJCKBOPSX-KRWDZBQOSA-N 0 0 427.551 2.938 50 0 IFAARN COc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)cc1 ZINC000009124323 569504269 /nfs/dbraw/zinc/50/42/69/569504269.db2.gz QPFIAPYMCKOIFM-UHFFFAOYSA-N 0 0 437.887 2.759 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCSCc3ccco3)c2)C[C@H](C)O1 ZINC000009125728 569504727 /nfs/dbraw/zinc/50/47/27/569504727.db2.gz ZPRIMQCHBBWGQF-HOTGVXAUSA-N 0 0 438.571 2.741 50 0 IFAARN CCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000009125985 569504775 /nfs/dbraw/zinc/50/47/75/569504775.db2.gz DEPPKTZRFFHZLI-QHCPKHFHSA-N 0 0 437.452 2.804 50 0 IFAARN CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000009126515 569504903 /nfs/dbraw/zinc/50/49/03/569504903.db2.gz MYJKVPRTJOQBGF-NRFANRHFSA-N 0 0 441.553 2.638 50 0 IFAARN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000009126876 569505022 /nfs/dbraw/zinc/50/50/22/569505022.db2.gz PQNJXBPFJROVCV-UHFFFAOYSA-N 0 0 430.404 2.941 50 0 IFAARN COc1cc(C(=O)NCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC ZINC000009127902 569505286 /nfs/dbraw/zinc/50/52/86/569505286.db2.gz FNMVUVRMTBIGEZ-UHFFFAOYSA-N 0 0 445.512 2.771 50 0 IFAARN CCOC(=O)C1=C(COc2ncnc3ccccc32)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000009128210 569505380 /nfs/dbraw/zinc/50/53/80/569505380.db2.gz XELSWMRZZCYRMN-FQEVSTJZSA-N 0 0 434.452 2.889 50 0 IFAARN CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1C ZINC000009128599 569505469 /nfs/dbraw/zinc/50/54/69/569505469.db2.gz NPPSJTYVTMYMRZ-CYBMUJFWSA-N 0 0 430.482 2.996 50 0 IFAARN CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NCC3CCCCC3)nc(C3CC3)nc21 ZINC000009128678 569505499 /nfs/dbraw/zinc/50/54/99/569505499.db2.gz SEHGSPZVVQLROZ-UHFFFAOYSA-N 0 0 445.589 2.566 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009128897 569505532 /nfs/dbraw/zinc/50/55/32/569505532.db2.gz SLIDLXQIQRCBRI-QGZVFWFLSA-N 0 0 442.537 2.996 50 0 IFAARN CCOC(=O)C1=C(COC(=O)CSc2cc(C)c3ccccc3n2)NC(=O)N[C@@H]1C ZINC000009130809 569506140 /nfs/dbraw/zinc/50/61/40/569506140.db2.gz FLFRHAYYGUZHQB-CYBMUJFWSA-N 0 0 429.498 2.697 50 0 IFAARN Cc1cccc(OC[C@@H](O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC000069416225 569506169 /nfs/dbraw/zinc/50/61/69/569506169.db2.gz UBYRVUGPJZCXLD-FPOVZHCZSA-N 0 0 428.529 2.987 50 0 IFAARN CNS(=O)(=O)c1ccc(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)cc1OC ZINC000069454805 569506646 /nfs/dbraw/zinc/50/66/46/569506646.db2.gz DAHNOXGXYGNWLZ-UHFFFAOYSA-N 0 0 434.440 2.826 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1ccc(Cl)cc1F ZINC000040478086 569506659 /nfs/dbraw/zinc/50/66/59/569506659.db2.gz BRSDIOCDPLUPLZ-UHFFFAOYSA-N 0 0 448.792 2.746 50 0 IFAARN COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1C(F)(F)F ZINC000069563296 569507271 /nfs/dbraw/zinc/50/72/71/569507271.db2.gz NPNHNEGJEOHRPZ-PBHICJAKSA-N 0 0 441.450 2.964 50 0 IFAARN COc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)cc2)c(N)n1 ZINC000009152149 569507752 /nfs/dbraw/zinc/50/77/52/569507752.db2.gz GDUSHMPCSSPKNQ-UHFFFAOYSA-N 0 0 444.538 2.939 50 0 IFAARN COc1ccc(CNC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000009152807 569507855 /nfs/dbraw/zinc/50/78/55/569507855.db2.gz CSUKHLBQGIDZQU-ZIAGYGMSSA-N 0 0 448.566 2.997 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)ccc1Cl ZINC000009170957 569509369 /nfs/dbraw/zinc/50/93/69/569509369.db2.gz RUQHGDOLIPPTPV-UHFFFAOYSA-N 0 0 434.909 2.599 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000009170930 569509396 /nfs/dbraw/zinc/50/93/96/569509396.db2.gz NSBBFWXWAJIVER-HNNXBMFYSA-N 0 0 443.500 2.721 50 0 IFAARN CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC(C)C ZINC000009186373 569510199 /nfs/dbraw/zinc/51/01/99/569510199.db2.gz XETHEVMKXOHDGK-RZQQEMMASA-N 0 0 435.615 2.798 50 0 IFAARN Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)oc2c1C ZINC000009194738 569510961 /nfs/dbraw/zinc/51/09/61/569510961.db2.gz ASMUVPVXEHHXPX-UHFFFAOYSA-N 0 0 442.493 2.683 50 0 IFAARN O=C(Cc1ccccc1)N1CCC(c2nc3c(nnn3Cc3ccsc3)c(=O)[nH]2)CC1 ZINC000009195478 569511014 /nfs/dbraw/zinc/51/10/14/569511014.db2.gz MLTDQJWQYZVHJA-UHFFFAOYSA-N 0 0 434.525 2.985 50 0 IFAARN O=C1CCc2cc(S(=O)(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)ccc2N1 ZINC000009203558 569511302 /nfs/dbraw/zinc/51/13/02/569511302.db2.gz FTLGFMBMGAOHBO-UHFFFAOYSA-N 0 0 444.538 2.818 50 0 IFAARN O=S(=O)(c1ccc(Sc2nnc(NCc3ccccc3)s2)nc1)N1CCOCC1 ZINC000009207967 569511446 /nfs/dbraw/zinc/51/14/46/569511446.db2.gz KKQZLJGNWSPVRJ-UHFFFAOYSA-N 0 0 449.583 2.717 50 0 IFAARN Cn1c2nc3n(cc(-c4ccc(Cl)cc4)n3-c3ccc4c(c3)OCO4)c2c(=O)n(C)c1=O ZINC000009209484 569511582 /nfs/dbraw/zinc/51/15/82/569511582.db2.gz BMICLQYOAKBLDZ-UHFFFAOYSA-N 0 0 449.854 2.725 50 0 IFAARN O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC000009211482 569511763 /nfs/dbraw/zinc/51/17/63/569511763.db2.gz YRCJAWCNLSSODD-UHFFFAOYSA-N 0 0 443.431 2.999 50 0 IFAARN CCc1ccccc1NC(=O)Cn1nnc(-c2nc(-c3ccc4c(c3)OCO4)no2)c1N ZINC000009211588 569511840 /nfs/dbraw/zinc/51/18/40/569511840.db2.gz DOKGBJJNWDNYEH-UHFFFAOYSA-N 0 0 433.428 2.507 50 0 IFAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)cc1OC ZINC000009216107 569512095 /nfs/dbraw/zinc/51/20/95/569512095.db2.gz UEWMNFOWKUJGHP-BRYHAGSVSA-N 0 0 434.514 2.504 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)n1 ZINC000009216784 569512177 /nfs/dbraw/zinc/51/21/77/569512177.db2.gz LWZWPWBYTDLLHM-HSZRJFAPSA-N 0 0 431.500 2.949 50 0 IFAARN O=C(CNc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cc(Cl)ccc1F ZINC000009221030 569512629 /nfs/dbraw/zinc/51/26/29/569512629.db2.gz NATXSDYHCPOHPA-UHFFFAOYSA-N 0 0 427.885 2.551 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000009222099 569512705 /nfs/dbraw/zinc/51/27/05/569512705.db2.gz NCOUDPLLVQUVSQ-SFHVURJKSA-N 0 0 433.555 2.619 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2-n2cnnn2)c1C ZINC000009222639 569512784 /nfs/dbraw/zinc/51/27/84/569512784.db2.gz FEQJASVUERCDBK-GOSISDBHSA-N 0 0 434.500 2.539 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCc4ccccc43)CC2=O)cc1 ZINC000009223099 569512916 /nfs/dbraw/zinc/51/29/16/569512916.db2.gz UULFUWJQQSIIJX-SFHVURJKSA-N 0 0 441.553 2.659 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000009223605 569513008 /nfs/dbraw/zinc/51/30/08/569513008.db2.gz XZVUDGIVDAHDPB-HNNXBMFYSA-N 0 0 431.489 2.602 50 0 IFAARN COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C(C)C)cc3)c2N)c(OC)c1 ZINC000009226862 569513315 /nfs/dbraw/zinc/51/33/15/569513315.db2.gz CWBDBIUQXDPEDE-UHFFFAOYSA-N 0 0 438.488 2.892 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000009229026 569513675 /nfs/dbraw/zinc/51/36/75/569513675.db2.gz BYTOJOKKWFOMHY-UHFFFAOYSA-N 0 0 448.545 2.551 50 0 IFAARN O=C(Nc1nc2c(s1)CCCC2)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000009245583 569515404 /nfs/dbraw/zinc/51/54/04/569515404.db2.gz FIDBDGUXBHPNJX-UHFFFAOYSA-N 0 0 430.555 2.822 50 0 IFAARN NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000009246253 569515434 /nfs/dbraw/zinc/51/54/34/569515434.db2.gz OEKGUDNSRXJBKY-UHFFFAOYSA-N 0 0 427.457 2.759 50 0 IFAARN COc1ccc(CN(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)C2CC2)cc1 ZINC000009253125 569516121 /nfs/dbraw/zinc/51/61/21/569516121.db2.gz PWWIHNMNXORXIX-VWLOTQADSA-N 0 0 433.508 2.970 50 0 IFAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)Nc1cc(C)on1 ZINC000009253426 569516207 /nfs/dbraw/zinc/51/62/07/569516207.db2.gz WCWRNGSARJYYTA-UHFFFAOYSA-N 0 0 449.419 2.583 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCC[C@@H]1c1cccs1 ZINC000009254760 569516410 /nfs/dbraw/zinc/51/64/10/569516410.db2.gz LCMSBGHDAGUQBI-OAHLLOKOSA-N 0 0 426.585 2.737 50 0 IFAARN COC(=O)c1c(NC(=O)COC(=O)Cn2c(C)csc2=O)sc2c1CCCCC2 ZINC000009255085 569516470 /nfs/dbraw/zinc/51/64/70/569516470.db2.gz MDIYQWARGNCTME-UHFFFAOYSA-N 0 0 438.527 2.517 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000009257501 569516822 /nfs/dbraw/zinc/51/68/22/569516822.db2.gz SYDCIYVRHJHHRE-FQEVSTJZSA-N 0 0 429.379 2.730 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1Br ZINC000009257693 569516870 /nfs/dbraw/zinc/51/68/70/569516870.db2.gz QTCCGTLYKHKSAU-UHFFFAOYSA-N 0 0 425.304 2.722 50 0 IFAARN COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1C ZINC000009262778 569517058 /nfs/dbraw/zinc/51/70/58/569517058.db2.gz GFUFWJHEPQOFMV-UHFFFAOYSA-N 0 0 425.514 2.793 50 0 IFAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc4C3)n2C)c1 ZINC000009263279 569517102 /nfs/dbraw/zinc/51/71/02/569517102.db2.gz SXDPMNXDLLQIRJ-UHFFFAOYSA-N 0 0 435.553 2.731 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C ZINC000009263593 569517206 /nfs/dbraw/zinc/51/72/06/569517206.db2.gz YGTPEWYSIDQUQB-LLVKDONJSA-N 0 0 432.531 2.581 50 0 IFAARN CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)cc3C)n2C)s1 ZINC000009263978 569517246 /nfs/dbraw/zinc/51/72/46/569517246.db2.gz VMPNVFTXAFSNKT-UHFFFAOYSA-N 0 0 445.574 2.758 50 0 IFAARN Cc1nnc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2C)s1 ZINC000009263918 569517249 /nfs/dbraw/zinc/51/72/49/569517249.db2.gz QSARQUQLGNMCKF-OAHLLOKOSA-N 0 0 445.574 2.833 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(S[C@@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1 ZINC000009264009 569517268 /nfs/dbraw/zinc/51/72/68/569517268.db2.gz SMWKNNABDJEAKW-LBPRGKRZSA-N 0 0 446.558 2.638 50 0 IFAARN CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)c(C)c3)n2C)s1 ZINC000009263987 569517272 /nfs/dbraw/zinc/51/72/72/569517272.db2.gz SOXNYYKARQLYHW-UHFFFAOYSA-N 0 0 445.574 2.758 50 0 IFAARN Nc1nonc1NC(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000009264064 569517298 /nfs/dbraw/zinc/51/72/98/569517298.db2.gz DNLWSONRMGMOQM-UHFFFAOYSA-N 0 0 446.496 2.918 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1 ZINC000009264061 569517332 /nfs/dbraw/zinc/51/73/32/569517332.db2.gz UIPWRYOBHFPARA-LBPRGKRZSA-N 0 0 446.558 2.889 50 0 IFAARN COc1ccc(C(=O)c2cn(CC(=O)NCc3ccco3)c3nc(C)ccc3c2=O)cc1 ZINC000009267894 569517517 /nfs/dbraw/zinc/51/75/17/569517517.db2.gz HNQNBMXEJXPYQB-UHFFFAOYSA-N 0 0 431.448 2.854 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3cccc(C)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009269334 569517587 /nfs/dbraw/zinc/51/75/87/569517587.db2.gz ZQNQIVRAZWBSTR-WOJBJXKFSA-N 0 0 427.526 2.604 50 0 IFAARN Cc1cc(C)cc(N2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009269405 569517684 /nfs/dbraw/zinc/51/76/84/569517684.db2.gz YEPISOALXVRNDB-RTWAWAEBSA-N 0 0 441.553 2.967 50 0 IFAARN Cc1cc(C)cc(N2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009269408 569517688 /nfs/dbraw/zinc/51/76/88/569517688.db2.gz YEPISOALXVRNDB-SFTDATJTSA-N 0 0 441.553 2.967 50 0 IFAARN CCN(C(=O)CSc1ncnc2sc3c(c21)CC[C@H](C)C3)[C@H]1CCS(=O)(=O)C1 ZINC000009283798 569518976 /nfs/dbraw/zinc/51/89/76/569518976.db2.gz JLHZYHRJSXRUHR-STQMWFEESA-N 0 0 439.628 2.944 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)N[C@@H]4CCCc5ccccc54)ncn3n2)cc1 ZINC000009287250 569519222 /nfs/dbraw/zinc/51/92/22/569519222.db2.gz MRHXWQFKVBZADL-HXUWFJFHSA-N 0 0 429.480 2.760 50 0 IFAARN O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)NCc1ccccc1Br ZINC000009287369 569519236 /nfs/dbraw/zinc/51/92/36/569519236.db2.gz JBKJNCCBWOSVJG-UHFFFAOYSA-N 0 0 444.314 2.698 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccc(Cl)cc4)ncn3n2)cc1 ZINC000009287211 569519264 /nfs/dbraw/zinc/51/92/64/569519264.db2.gz MJHGSJVLSHEJHQ-UHFFFAOYSA-N 0 0 437.887 2.579 50 0 IFAARN C[C@H]1Cn2c3c(nc2N(CCc2ccccc2)C1)n(C)c(=O)n(Cc1ccccc1)c3=O ZINC000009290566 569519740 /nfs/dbraw/zinc/51/97/40/569519740.db2.gz WISJVHHINPPZAV-GOSISDBHSA-N 0 0 429.524 2.644 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc(Br)ccc1N ZINC000069815038 569519804 /nfs/dbraw/zinc/51/98/04/569519804.db2.gz FXANWQNXFPXWJX-LLVKDONJSA-N 0 0 432.274 2.952 50 0 IFAARN COc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)c1 ZINC000009293020 569520047 /nfs/dbraw/zinc/52/00/47/569520047.db2.gz KIQARLQRXJDYNI-UHFFFAOYSA-N 0 0 437.887 2.759 50 0 IFAARN COc1ccc(Cl)cc1-n1c(C)c(C)n2c1nc1c2c(=O)n([C@@H](C)C(C)=O)c(=O)n1C ZINC000009297153 569520512 /nfs/dbraw/zinc/52/05/12/569520512.db2.gz VWRTUQRRDQSJHD-LBPRGKRZSA-N 0 0 443.891 2.567 50 0 IFAARN CCCn1c(C)c(C)n2c1nc1c2c(=O)n(CC(=O)c2ccc(Cl)cc2)c(=O)n1C ZINC000009297298 569520519 /nfs/dbraw/zinc/52/05/19/569520519.db2.gz MTFMNTYVEIFZPD-UHFFFAOYSA-N 0 0 427.892 2.713 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000009300980 569520708 /nfs/dbraw/zinc/52/07/08/569520708.db2.gz PWXUTTCYZQCGPX-UHFFFAOYSA-N 0 0 427.910 2.721 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000009300726 569520613 /nfs/dbraw/zinc/52/06/13/569520613.db2.gz FKNSSVUUNFWAFV-UHFFFAOYSA-N 0 0 433.530 2.848 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000009300956 569520709 /nfs/dbraw/zinc/52/07/09/569520709.db2.gz CREQNSHCVLFLMF-SFHVURJKSA-N 0 0 447.557 2.623 50 0 IFAARN COCCN(Cc1ccc(C)c(Br)c1)S(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000009301124 569520722 /nfs/dbraw/zinc/52/07/22/569520722.db2.gz LKWDZVYXYMIKRH-UHFFFAOYSA-N 0 0 445.335 2.710 50 0 IFAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)no1 ZINC000009302620 569520840 /nfs/dbraw/zinc/52/08/40/569520840.db2.gz YPEQOEBOCSTMRV-NVQRDWNXSA-N 0 0 435.358 2.807 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)c1 ZINC000009302509 569520846 /nfs/dbraw/zinc/52/08/46/569520846.db2.gz JGBLAALTQWMLBR-NSHDSACASA-N 0 0 432.531 2.581 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000009304095 569521130 /nfs/dbraw/zinc/52/11/30/569521130.db2.gz IBNDXLOODJGBRG-MJGOQNOKSA-N 0 0 441.871 2.954 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(F)cc3)C2)cc1 ZINC000009305074 569521227 /nfs/dbraw/zinc/52/12/27/569521227.db2.gz TYNTUULJVDHEGC-SFHVURJKSA-N 0 0 447.532 2.544 50 0 IFAARN COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)c1 ZINC000009305537 569521311 /nfs/dbraw/zinc/52/13/11/569521311.db2.gz RVZBESURALQIGJ-UHFFFAOYSA-N 0 0 425.514 2.793 50 0 IFAARN COc1cccc(N2C(SCC(=O)OCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009306268 569521326 /nfs/dbraw/zinc/52/13/26/569521326.db2.gz AETJOYCYSYABOQ-OALUTQOASA-N 0 0 446.550 2.513 50 0 IFAARN C[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009313991 569522013 /nfs/dbraw/zinc/52/20/13/569522013.db2.gz HLRSUOOYGGUJEN-VQIMIIECSA-N 0 0 430.526 2.878 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N(CC(=O)N2C[C@@H](C)O[C@H](C)C2)Cc2ccccc2)cc1 ZINC000009316274 569522245 /nfs/dbraw/zinc/52/22/45/569522245.db2.gz BQIPVQGOVHYDFN-QZTJIDSGSA-N 0 0 444.553 2.716 50 0 IFAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(I)cc1)C2=O ZINC000009579949 569548630 /nfs/dbraw/zinc/54/86/30/569548630.db2.gz QODHINQOORTELR-PIGZYNQJSA-N 0 0 441.269 2.730 50 0 IFAARN CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1 ZINC000009329515 569523001 /nfs/dbraw/zinc/52/30/01/569523001.db2.gz ANPZPXFVFPKVKH-UHFFFAOYSA-N 0 0 434.338 2.847 50 0 IFAARN C[C@H](OC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)NC(N)=O ZINC000009334414 569523176 /nfs/dbraw/zinc/52/31/76/569523176.db2.gz OFMDLKYWPBNSAJ-LBPRGKRZSA-N 0 0 446.916 2.957 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)NCCc1ccccc1 ZINC000009335152 569523304 /nfs/dbraw/zinc/52/33/04/569523304.db2.gz FEFWNDHWBASOOF-UHFFFAOYSA-N 0 0 449.484 2.580 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2N)c(=O)n(-c2ccccc2)n1C ZINC000009335745 569523360 /nfs/dbraw/zinc/52/33/60/569523360.db2.gz VGRNMOWANMVABU-CYBMUJFWSA-N 0 0 428.876 2.904 50 0 IFAARN COc1cccc(-n2cnnc2SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000009336663 569523481 /nfs/dbraw/zinc/52/34/81/569523481.db2.gz ZZJXMPKWSBVZFW-UHFFFAOYSA-N 0 0 440.525 2.970 50 0 IFAARN CCCCn1cnc2c1c(=O)n(Cc1nc(-c3ccsc3)no1)c(=O)n2CC(C)C ZINC000009337943 569523585 /nfs/dbraw/zinc/52/35/85/569523585.db2.gz BLTKQHPXVGQIBP-UHFFFAOYSA-N 0 0 428.518 2.976 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCSc2ccccc21 ZINC000009338985 569523731 /nfs/dbraw/zinc/52/37/31/569523731.db2.gz BTMFBDBJMGSKEI-INIZCTEOSA-N 0 0 447.582 2.647 50 0 IFAARN COc1ccc(CN2C(=O)N[C@](NC(=O)c3cccc(OC)c3)(C(F)(F)F)C2=O)cc1 ZINC000009346277 569524217 /nfs/dbraw/zinc/52/42/17/569524217.db2.gz JECNJRRXHPHOFV-IBGZPJMESA-N 0 0 437.374 2.649 50 0 IFAARN O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000009348058 569524399 /nfs/dbraw/zinc/52/43/99/569524399.db2.gz CJPJSMBXTYOCDO-CMCWBKRRSA-N 0 0 435.911 2.809 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCc2c(C)nc(=S)[nH]c2C)cc1 ZINC000009349128 569524717 /nfs/dbraw/zinc/52/47/17/569524717.db2.gz HRPDURJRNZQKJN-UHFFFAOYSA-N 0 0 436.603 2.662 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000009354721 569525076 /nfs/dbraw/zinc/52/50/76/569525076.db2.gz JJNCEUWODGJRNS-UHFFFAOYSA-N 0 0 449.488 2.990 50 0 IFAARN Cn1c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2n(C)c1=O ZINC000009356533 569525536 /nfs/dbraw/zinc/52/55/36/569525536.db2.gz ATFSLRQMRFWTQJ-UHFFFAOYSA-N 0 0 436.493 2.930 50 0 IFAARN O=C(NCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000069978867 569526714 /nfs/dbraw/zinc/52/67/14/569526714.db2.gz SKNCBPVZPZSPBP-JOCHJYFZSA-N 0 0 430.568 2.635 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000009378380 569527678 /nfs/dbraw/zinc/52/76/78/569527678.db2.gz FHLZDUSCHZMBMH-MRXNPFEDSA-N 0 0 432.571 2.623 50 0 IFAARN CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccccc1F ZINC000009380930 569527970 /nfs/dbraw/zinc/52/79/70/569527970.db2.gz PFCILNSIPYTGJL-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc(F)c1 ZINC000009380939 569528080 /nfs/dbraw/zinc/52/80/80/569528080.db2.gz LZFLVLKQKGDXEC-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN O=c1cc(Cc2nnc(SCc3ccccc3F)n2-c2ccc(F)cc2)[nH]c(=O)[nH]1 ZINC000009382062 569528199 /nfs/dbraw/zinc/52/81/99/569528199.db2.gz AQURCGBDHZCPCH-UHFFFAOYSA-N 0 0 427.436 2.805 50 0 IFAARN COc1ccc(C(=O)CSc2nc(CC(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000009382362 569528312 /nfs/dbraw/zinc/52/83/12/569528312.db2.gz OJEGOTQMXNYZDN-UHFFFAOYSA-N 0 0 442.541 2.599 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000009383902 569528382 /nfs/dbraw/zinc/52/83/82/569528382.db2.gz UPEFZSJLUHQRLG-CQSZACIVSA-N 0 0 448.497 2.630 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)CN2Cc3ccccc3-c3ccccc3C2)cc1 ZINC000070017538 569528649 /nfs/dbraw/zinc/52/86/49/569528649.db2.gz GHLLUGZGUNGMLW-UHFFFAOYSA-N 0 0 435.549 2.676 50 0 IFAARN COc1ccc(CC(=O)Nc2nnc(SCC(=O)N3CCCCC3)s2)cc1OC ZINC000009391044 569528892 /nfs/dbraw/zinc/52/88/92/569528892.db2.gz YCRMEHZGZMCACB-UHFFFAOYSA-N 0 0 436.559 2.841 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1)C1CCCC1 ZINC000009391630 569528963 /nfs/dbraw/zinc/52/89/63/569528963.db2.gz ALWBCCCFWXWZJW-AEFFLSMTSA-N 0 0 441.553 2.785 50 0 IFAARN C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl)CS2 ZINC000009396676 569529203 /nfs/dbraw/zinc/52/92/03/569529203.db2.gz NNEYIJLAWHTXKL-KSSFIOAISA-N 0 0 431.341 2.649 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(F)cc3F)cc2C[C@H]1C ZINC000009396841 569529218 /nfs/dbraw/zinc/52/92/18/569529218.db2.gz KFIDUPATUAENGT-GFCCVEGCSA-N 0 0 437.468 2.522 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)N3c4ccccc4C[C@@H]3C)cc2C[C@@H]1C ZINC000009396925 569529223 /nfs/dbraw/zinc/52/92/23/569529223.db2.gz QTCUIUBPDZTCEV-HOTGVXAUSA-N 0 0 441.553 2.582 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C)c(C)c3)cc2C[C@@H]1C ZINC000009396885 569529244 /nfs/dbraw/zinc/52/92/44/569529244.db2.gz FGOYYKOBOXBXDD-INIZCTEOSA-N 0 0 429.542 2.860 50 0 IFAARN Cc1c(C(=O)NC2CCCCC2)nnn1-c1cccc2c1CCN(S(=O)(=O)C(C)C)C2 ZINC000070040175 569529409 /nfs/dbraw/zinc/52/94/09/569529409.db2.gz WCXALYKBDHWAQA-UHFFFAOYSA-N 0 0 445.589 2.735 50 0 IFAARN Cc1cc(C)cc(N(C)S(=O)(=O)c2nnc(NC(=O)COc3ccccc3)s2)c1 ZINC000009405058 569529771 /nfs/dbraw/zinc/52/97/71/569529771.db2.gz XAPCPKQVVJUFPT-UHFFFAOYSA-N 0 0 432.527 2.998 50 0 IFAARN CCc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000009405228 569529815 /nfs/dbraw/zinc/52/98/15/569529815.db2.gz BZCHSCPIEARHCI-INIZCTEOSA-N 0 0 425.514 2.659 50 0 IFAARN COc1cc(NC(=O)CSc2nc3nccnc3c(=O)n2CCC(C)C)cc(OC)c1 ZINC000009405267 569529828 /nfs/dbraw/zinc/52/98/28/569529828.db2.gz TXEFZEOVYBNQMC-UHFFFAOYSA-N 0 0 443.529 2.981 50 0 IFAARN COc1cc(CNC(=O)Cn2c(=O)c3cccn3c3ccc(F)cc32)cc(OC)c1OC ZINC000009406264 569530054 /nfs/dbraw/zinc/53/00/54/569530054.db2.gz UJRWMYKTQKTLCJ-UHFFFAOYSA-N 0 0 439.443 2.736 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2ccc(F)cc2)c1=O)CCN3c1ccc(Cl)cc1 ZINC000009406694 569530111 /nfs/dbraw/zinc/53/01/11/569530111.db2.gz JMPOMWKMIDDKNE-UHFFFAOYSA-N 0 0 425.851 2.889 50 0 IFAARN CCOc1ccc(CCNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1 ZINC000009407503 569530249 /nfs/dbraw/zinc/53/02/49/569530249.db2.gz JRHBMRKPBFMVQV-UHFFFAOYSA-N 0 0 448.523 2.819 50 0 IFAARN O=C(Nc1ccc(Cl)cc1)C1CCC(CNc2c(=O)c(=O)c2N2CCOCC2)CC1 ZINC000009407287 569530261 /nfs/dbraw/zinc/53/02/61/569530261.db2.gz OJJIENVDVJGVIH-UHFFFAOYSA-N 0 0 431.920 2.630 50 0 IFAARN COc1ccc(-c2nc3c([nH]c(=O)n3-c3cccc(Cl)c3)c(C(N)=O)n2)c(OC)c1 ZINC000009407953 569530413 /nfs/dbraw/zinc/53/04/13/569530413.db2.gz DCTJQLAZYYAPBV-UHFFFAOYSA-N 0 0 425.832 2.545 50 0 IFAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCCCC1 ZINC000009408069 569530431 /nfs/dbraw/zinc/53/04/31/569530431.db2.gz XGFDVDPMAJAWNG-UHFFFAOYSA-N 0 0 435.546 2.608 50 0 IFAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(Cl)cc1 ZINC000009408066 569530461 /nfs/dbraw/zinc/53/04/61/569530461.db2.gz BYPIMXJHGXPYJS-UHFFFAOYSA-N 0 0 435.889 2.671 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009408082 569530471 /nfs/dbraw/zinc/53/04/71/569530471.db2.gz KRDQACYPIMERJA-UHFFFAOYSA-N 0 0 449.916 2.980 50 0 IFAARN CCOc1ccc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c2ccccc2)cc1 ZINC000009408362 569530548 /nfs/dbraw/zinc/53/05/48/569530548.db2.gz PHHOOJFLQUKZCI-MOPGFXCFSA-N 0 0 445.566 2.799 50 0 IFAARN Cc1ccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c2ccccc2F)cc1 ZINC000009408455 569530589 /nfs/dbraw/zinc/53/05/89/569530589.db2.gz AEQFSTAHVQSFLC-FUHWJXTLSA-N 0 0 433.530 2.848 50 0 IFAARN COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC)cc3OC)[C@H]4C2=O)c1 ZINC000009410011 569531184 /nfs/dbraw/zinc/53/11/84/569531184.db2.gz DAEUQYJMWHGXSC-KDNSLJGTSA-N 0 0 436.464 2.638 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)Nc1ccccc1C(F)(F)F ZINC000009412627 569531584 /nfs/dbraw/zinc/53/15/84/569531584.db2.gz IKGZHXNDVGBQSO-UHFFFAOYSA-N 0 0 428.374 2.694 50 0 IFAARN O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000009412769 569531677 /nfs/dbraw/zinc/53/16/77/569531677.db2.gz JJWDRQCFQJVYQF-UHFFFAOYSA-N 0 0 448.336 2.654 50 0 IFAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000009414181 569531975 /nfs/dbraw/zinc/53/19/75/569531975.db2.gz QMJDRFFHQIYNNU-UHFFFAOYSA-N 0 0 439.497 2.960 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@]4(CCCc5ccccc54)C3=O)n2)cc1 ZINC000009417472 569532378 /nfs/dbraw/zinc/53/23/78/569532378.db2.gz KJUGDOWTKCEOEY-HSZRJFAPSA-N 0 0 429.484 2.789 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)NCc2cccnc2)c1 ZINC000009416625 569532391 /nfs/dbraw/zinc/53/23/91/569532391.db2.gz SBAKFJMSHGNXEI-UHFFFAOYSA-N 0 0 439.493 2.974 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NCc1cccnc1 ZINC000009419122 569532485 /nfs/dbraw/zinc/53/24/85/569532485.db2.gz DVHCWEYNGKGHHQ-IBGZPJMESA-N 0 0 439.903 2.776 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 ZINC000009427817 569533430 /nfs/dbraw/zinc/53/34/30/569533430.db2.gz GORGYMRBLRTABL-UHFFFAOYSA-N 0 0 448.501 2.620 50 0 IFAARN COc1ccccc1/C=C1\SC(=O)N(CCC(=O)N[C@@H](CO)Cc2ccccc2)C1=O ZINC000009429376 569533641 /nfs/dbraw/zinc/53/36/41/569533641.db2.gz DKTBXPJZLOCJBY-WRDGEJPTSA-N 0 0 440.521 2.841 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 ZINC000009438567 569534989 /nfs/dbraw/zinc/53/49/89/569534989.db2.gz YKOKHHRKTZZLGE-QZTJIDSGSA-N 0 0 436.574 2.913 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)cc1 ZINC000009439252 569535012 /nfs/dbraw/zinc/53/50/12/569535012.db2.gz DMCHBWHWBHXYAE-UHFFFAOYSA-N 0 0 425.510 2.876 50 0 IFAARN COc1ccccc1N(C)C(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009441096 569535309 /nfs/dbraw/zinc/53/53/09/569535309.db2.gz DEQGFNIXJAHUFP-CYBMUJFWSA-N 0 0 434.539 2.955 50 0 IFAARN Cc1cccc(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000009441049 569535311 /nfs/dbraw/zinc/53/53/11/569535311.db2.gz LKGPTSPSVAUWCW-OAHLLOKOSA-N 0 0 432.567 2.950 50 0 IFAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)n1cc(C(F)(F)F)ccc1=O ZINC000009441646 569535362 /nfs/dbraw/zinc/53/53/62/569535362.db2.gz YUVHDPPZWYMDNW-CYBMUJFWSA-N 0 0 443.447 2.851 50 0 IFAARN CCOC(=O)c1c(C)oc(NC(=O)COC(=O)c2cccc(C)c2O)c1C(=O)OCC ZINC000009442798 569535638 /nfs/dbraw/zinc/53/56/38/569535638.db2.gz WLUIMNLLHHLGSI-UHFFFAOYSA-N 0 0 433.413 2.751 50 0 IFAARN Cn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nnc1-c1ccncc1 ZINC000009451151 569536353 /nfs/dbraw/zinc/53/63/53/569536353.db2.gz FHVZVRJNHXCZMX-UHFFFAOYSA-N 0 0 426.893 2.842 50 0 IFAARN CC(C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccccc1 ZINC000009451203 569536387 /nfs/dbraw/zinc/53/63/87/569536387.db2.gz ALBSMHDTCCATAY-MZLICYQSSA-N 0 0 437.565 2.756 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000009453845 569536667 /nfs/dbraw/zinc/53/66/67/569536667.db2.gz PYYXPPVCAWMTRU-WZONZLPQSA-N 0 0 436.468 2.686 50 0 IFAARN Cc1ccc(CN2CCCN(S(=O)(=O)CCn3ccc4ccccc4c3=O)CC2)cc1 ZINC000009455813 569536686 /nfs/dbraw/zinc/53/66/86/569536686.db2.gz PTMYCDPEJMCEFD-UHFFFAOYSA-N 0 0 439.581 2.848 50 0 IFAARN Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1S(=O)(=O)N1CCCCC1 ZINC000009460127 569536909 /nfs/dbraw/zinc/53/69/09/569536909.db2.gz RXOHBUVQJNXHEN-UHFFFAOYSA-N 0 0 441.509 2.648 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000009460289 569536924 /nfs/dbraw/zinc/53/69/24/569536924.db2.gz YTHKGKVPRYVBRQ-WMLDXEAASA-N 0 0 449.960 2.717 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2O)cc1 ZINC000009464299 569537672 /nfs/dbraw/zinc/53/76/72/569537672.db2.gz RKTSFXINAIOZGI-LBPRGKRZSA-N 0 0 440.905 2.916 50 0 IFAARN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000009465562 569537954 /nfs/dbraw/zinc/53/79/54/569537954.db2.gz GODYOHPDIDVMCH-QGZVFWFLSA-N 0 0 437.949 2.941 50 0 IFAARN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000009465596 569538002 /nfs/dbraw/zinc/53/80/02/569538002.db2.gz LSENVHKZQXJWCQ-SHACYNPGSA-N 0 0 435.480 2.741 50 0 IFAARN O=c1[nH]c2ccccc2n1CCCSCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009465793 569538016 /nfs/dbraw/zinc/53/80/16/569538016.db2.gz PBBPULSNCUJRKN-UHFFFAOYSA-N 0 0 447.582 2.674 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)Nc1ccccc1OC ZINC000009467049 569538298 /nfs/dbraw/zinc/53/82/98/569538298.db2.gz GTRPEOFDOSWDNY-GFCCVEGCSA-N 0 0 434.543 2.832 50 0 IFAARN COCCCn1c(S[C@H](C(=O)NC(N)=O)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000009481333 569539499 /nfs/dbraw/zinc/53/94/99/569539499.db2.gz XTHUSRLACWYGDZ-AWEZNQCLSA-N 0 0 425.942 2.947 50 0 IFAARN COc1ccc(Cn2c(C)cn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1 ZINC000009488075 569539866 /nfs/dbraw/zinc/53/98/66/569539866.db2.gz SELSKOYRUVRVAX-UHFFFAOYSA-N 0 0 429.480 2.563 50 0 IFAARN COc1ccc(-n2c(=O)c3c[nH]nc3nc2SCc2cc(=O)n3c(C)cccc3n2)cc1 ZINC000009490233 569540085 /nfs/dbraw/zinc/54/00/85/569540085.db2.gz KLBKWEPNKILXFE-UHFFFAOYSA-N 0 0 446.492 2.726 50 0 IFAARN CCOCCCNC(=O)c1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009490282 569540183 /nfs/dbraw/zinc/54/01/83/569540183.db2.gz DQIIKXBSWDTPDS-UHFFFAOYSA-N 0 0 430.501 2.799 50 0 IFAARN Cc1nc2sc3c(c2c(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1)CCCC3 ZINC000009492182 569540511 /nfs/dbraw/zinc/54/05/11/569540511.db2.gz JJYJREPXSCPVEI-LBPRGKRZSA-N 0 0 425.601 2.616 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCN2CCCC2=O)cc1 ZINC000009492463 569540574 /nfs/dbraw/zinc/54/05/74/569540574.db2.gz DKQRXAHJICOKQC-UHFFFAOYSA-N 0 0 429.542 2.644 50 0 IFAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000009494687 569540906 /nfs/dbraw/zinc/54/09/06/569540906.db2.gz FDYFLYDHEVIRDC-UHFFFAOYSA-N 0 0 438.484 2.793 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000009497913 569541332 /nfs/dbraw/zinc/54/13/32/569541332.db2.gz ABLHDOFKYOYOFY-FYSMJZIKSA-N 0 0 434.496 2.694 50 0 IFAARN CCN(CC(=O)NCc1cccs1)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000009503102 569541752 /nfs/dbraw/zinc/54/17/52/569541752.db2.gz JZAUTYTZNPEBFR-CQSZACIVSA-N 0 0 449.960 2.928 50 0 IFAARN CCOC(=O)C1=C(NS(=O)(=O)c2ccc3c(c2)OCCO3)Nc2ccccc2N=C1C ZINC000009506834 569541870 /nfs/dbraw/zinc/54/18/70/569541870.db2.gz HJRNJSXFJRTVES-UHFFFAOYSA-N 0 0 443.481 2.729 50 0 IFAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)NCC(F)(F)F)c1)C(=O)Nc1ccccc1F ZINC000009507240 569541940 /nfs/dbraw/zinc/54/19/40/569541940.db2.gz DZMJDYIGILIFQF-NSHDSACASA-N 0 0 448.394 2.850 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(Br)cc2F)c1 ZINC000009507674 569542100 /nfs/dbraw/zinc/54/21/00/569542100.db2.gz PSWFYCJCUVXYNE-UHFFFAOYSA-N 0 0 431.283 2.856 50 0 IFAARN Cc1cc(=O)c(C(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)nn1-c1ccccc1 ZINC000009514353 569543198 /nfs/dbraw/zinc/54/31/98/569543198.db2.gz VKCKQISNUVZWBW-UHFFFAOYSA-N 0 0 429.480 2.661 50 0 IFAARN Cc1c2ccccc2sc1C(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000009515777 569543388 /nfs/dbraw/zinc/54/33/88/569543388.db2.gz HBDWCJGVEBNSSL-JOCHJYFZSA-N 0 0 446.492 2.835 50 0 IFAARN O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000009516351 569543418 /nfs/dbraw/zinc/54/34/18/569543418.db2.gz LXDHOIPNBZREGF-UHFFFAOYSA-N 0 0 437.481 2.588 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC(=O)N3CCCC3)c2)cc1 ZINC000009516978 569543546 /nfs/dbraw/zinc/54/35/46/569543546.db2.gz XNYWVKPNXLXTIW-UHFFFAOYSA-N 0 0 445.541 2.547 50 0 IFAARN CCOc1ccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2S(C)(=O)=O)cc1 ZINC000009517136 569543548 /nfs/dbraw/zinc/54/35/48/569543548.db2.gz GHUBQWAQQQWCAI-LJQANCHMSA-N 0 0 437.543 2.568 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCNC(=O)C1)C(c1ccccc1)c1ccccc1 ZINC000009516860 569543550 /nfs/dbraw/zinc/54/35/50/569543550.db2.gz NCNRHPKAMMLPCH-QHCPKHFHSA-N 0 0 441.531 2.504 50 0 IFAARN COc1ccc(-c2nc(SC3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1OC ZINC000009517578 569543712 /nfs/dbraw/zinc/54/37/12/569543712.db2.gz HPHAWZUWCAQDBV-UHFFFAOYSA-N 0 0 428.514 2.746 50 0 IFAARN Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3cccc(F)c3)[nH]c2=O)cc1 ZINC000009518130 569543914 /nfs/dbraw/zinc/54/39/14/569543914.db2.gz NMMDVKKNFYXWOX-UHFFFAOYSA-N 0 0 427.461 2.783 50 0 IFAARN Nc1nc(SCC(=O)Nc2cccc(F)c2)[nH]c(=O)c1NC(=O)c1ccccc1F ZINC000009518086 569543986 /nfs/dbraw/zinc/54/39/86/569543986.db2.gz WXNPICHSZZEIHZ-UHFFFAOYSA-N 0 0 431.424 2.613 50 0 IFAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 ZINC000009518825 569544211 /nfs/dbraw/zinc/54/42/11/569544211.db2.gz BMODYTVCHJOMFA-UHFFFAOYSA-N 0 0 435.480 2.738 50 0 IFAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)NC1CCCCC1 ZINC000009519712 569544288 /nfs/dbraw/zinc/54/42/88/569544288.db2.gz DDEBHACWGKEUBL-UHFFFAOYSA-N 0 0 445.585 2.876 50 0 IFAARN CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)Nc2ccccc2)c2ccccc21 ZINC000009519555 569544302 /nfs/dbraw/zinc/54/43/02/569544302.db2.gz AHBBNZQXEQDUQF-UHFFFAOYSA-N 0 0 427.526 2.922 50 0 IFAARN CSc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)c1 ZINC000009526805 569544512 /nfs/dbraw/zinc/54/45/12/569544512.db2.gz MGSMEELVKJHEKR-UHFFFAOYSA-N 0 0 426.517 2.897 50 0 IFAARN O=C(CN1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2)Nc1ccc(F)c(F)c1 ZINC000009526857 569544589 /nfs/dbraw/zinc/54/45/89/569544589.db2.gz WLIJODKMDXXDPY-UHFFFAOYSA-N 0 0 432.858 2.968 50 0 IFAARN Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4cccs4)CC3)ccc21 ZINC000009528624 569544693 /nfs/dbraw/zinc/54/46/93/569544693.db2.gz PDDWLADKEXCQCI-UHFFFAOYSA-N 0 0 431.583 2.999 50 0 IFAARN O=C(NCCc1ccccc1Cl)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009529875 569544950 /nfs/dbraw/zinc/54/49/50/569544950.db2.gz KPGXVVZPLVPKJQ-ZWKOTPCHSA-N 0 0 449.985 2.993 50 0 IFAARN COc1ccc(C2(CN3C(=O)N[C@@H](CCC(=O)NC4CCCC4)C3=O)CCOCC2)cc1 ZINC000009531179 569545101 /nfs/dbraw/zinc/54/51/01/569545101.db2.gz CBDSNGZZVAJORZ-FQEVSTJZSA-N 0 0 443.544 2.503 50 0 IFAARN O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009537104 569545589 /nfs/dbraw/zinc/54/55/89/569545589.db2.gz VDVCWGMNWFSXNK-UHFFFAOYSA-N 0 0 449.507 2.962 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc2ccccc2oc1=O ZINC000009539508 569545642 /nfs/dbraw/zinc/54/56/42/569545642.db2.gz DSEOVLFWKRISLL-UHFFFAOYSA-N 0 0 448.884 2.720 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc(C(=O)OC)c1 ZINC000009543508 569545942 /nfs/dbraw/zinc/54/59/42/569545942.db2.gz WVXWLGWNKUTZKX-LJQANCHMSA-N 0 0 440.452 3.000 50 0 IFAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCC3)C(C)C)c1 ZINC000009544536 569545992 /nfs/dbraw/zinc/54/59/92/569545992.db2.gz IJSUJUQWQYFMDO-SFHVURJKSA-N 0 0 445.541 2.746 50 0 IFAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000009549190 569546541 /nfs/dbraw/zinc/54/65/41/569546541.db2.gz PFKXDAGEFZAKKD-DEOSSOPVSA-N 0 0 438.480 2.983 50 0 IFAARN O=C([C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1)N1CCCC1 ZINC000009549519 569546630 /nfs/dbraw/zinc/54/66/30/569546630.db2.gz JSMJUSCPUGLOBE-HXUWFJFHSA-N 0 0 447.582 2.558 50 0 IFAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000009550986 569546700 /nfs/dbraw/zinc/54/67/00/569546700.db2.gz DSAUFGWEZYHSNY-UHFFFAOYSA-N 0 0 446.872 2.562 50 0 IFAARN O=C(NCc1nnnn1-c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000009570801 569547633 /nfs/dbraw/zinc/54/76/33/569547633.db2.gz OGMYXZVKHUOYMB-LBPRGKRZSA-N 0 0 431.283 2.638 50 0 IFAARN CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000009571145 569547645 /nfs/dbraw/zinc/54/76/45/569547645.db2.gz HSGUEFVKCTWJLO-UHFFFAOYSA-N 0 0 427.408 2.558 50 0 IFAARN Cc1nn(C(=O)c2cc3ccccc3oc2=O)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000009569748 569547661 /nfs/dbraw/zinc/54/76/61/569547661.db2.gz HVBYPWICNWGCTM-UHFFFAOYSA-N 0 0 429.498 2.860 50 0 IFAARN COc1ccc(N2CCn3c(SCC(=O)Nc4ccc5c(c4)OCO5)nnc32)cc1 ZINC000009574034 569547946 /nfs/dbraw/zinc/54/79/46/569547946.db2.gz VLSFJADJOSWTTO-UHFFFAOYSA-N 0 0 425.470 2.898 50 0 IFAARN COc1ccc(N2CCn3c(SCC(=O)Nc4ccc5c(c4)OCCO5)nnc32)cc1 ZINC000009574035 569547976 /nfs/dbraw/zinc/54/79/76/569547976.db2.gz FQZXXMNVXHKKJD-UHFFFAOYSA-N 0 0 439.497 2.940 50 0 IFAARN C[C@@]1(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)CCS(=O)(=O)C1 ZINC000009575872 569548030 /nfs/dbraw/zinc/54/80/30/569548030.db2.gz HRNYPOTZKHPHSC-HXUWFJFHSA-N 0 0 436.530 2.864 50 0 IFAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1nnc2ccccn21 ZINC000009578604 569548352 /nfs/dbraw/zinc/54/83/52/569548352.db2.gz ZZCFSCJWPIEGHK-MRXNPFEDSA-N 0 0 447.520 2.972 50 0 IFAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)NC(=O)NCc1ccco1 ZINC000009580467 569548729 /nfs/dbraw/zinc/54/87/29/569548729.db2.gz DKTQXLOXAJGERQ-UHFFFAOYSA-N 0 0 444.513 2.534 50 0 IFAARN Cc1nccn1-c1cc(N2CCC(C(=O)Nc3cc4ccccc4oc3=O)CC2)ncn1 ZINC000070637914 569548960 /nfs/dbraw/zinc/54/89/60/569548960.db2.gz ZPTAMQGGRXBKDQ-UHFFFAOYSA-N 0 0 430.468 2.932 50 0 IFAARN Nc1c(N(Cc2ccco2)C(=O)CCc2ccco2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000009582754 569549207 /nfs/dbraw/zinc/54/92/07/569549207.db2.gz LSMDBWSRBGLCHO-UHFFFAOYSA-N 0 0 434.452 2.519 50 0 IFAARN Nn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccccc1Br ZINC000009586122 569549627 /nfs/dbraw/zinc/54/96/27/569549627.db2.gz YNGIAZASVQJXTL-UHFFFAOYSA-N 0 0 444.314 2.810 50 0 IFAARN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2nn(C)c(=O)c3ccccc32)cc1 ZINC000009587808 569549859 /nfs/dbraw/zinc/54/98/59/569549859.db2.gz XLPRAZFHBJIUQL-UHFFFAOYSA-N 0 0 428.514 2.606 50 0 IFAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC(=O)NC1CCCCC1 ZINC000009589551 569549935 /nfs/dbraw/zinc/54/99/35/569549935.db2.gz MXQVTKFGHKQOKJ-UHFFFAOYSA-N 0 0 434.496 2.641 50 0 IFAARN O=C(NCc1ccco1)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000009591290 569550207 /nfs/dbraw/zinc/55/02/07/569550207.db2.gz KGYILCAFUXKCDU-LSDHHAIUSA-N 0 0 425.919 2.543 50 0 IFAARN CC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)s1 ZINC000009591763 569550254 /nfs/dbraw/zinc/55/02/54/569550254.db2.gz HGNKNFNTEQACJD-QHCPKHFHSA-N 0 0 439.537 2.987 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000009592707 569550333 /nfs/dbraw/zinc/55/03/33/569550333.db2.gz KMJGCASMRSSBLC-UHFFFAOYSA-N 0 0 426.502 2.684 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000009594364 569550598 /nfs/dbraw/zinc/55/05/98/569550598.db2.gz OFBMAHKVFWEGLO-UHFFFAOYSA-N 0 0 440.905 2.769 50 0 IFAARN O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)NCCc1c[nH]c2ccccc12 ZINC000070666480 569550608 /nfs/dbraw/zinc/55/06/08/569550608.db2.gz ILLHPJDKIGHXGL-UHFFFAOYSA-N 0 0 431.492 2.760 50 0 IFAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000009594872 569550650 /nfs/dbraw/zinc/55/06/50/569550650.db2.gz QJGLCVBYTDMXAH-JOCHJYFZSA-N 0 0 437.456 2.535 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccccc1 ZINC000009597085 569550901 /nfs/dbraw/zinc/55/09/01/569550901.db2.gz QGWJTTBCAIWSPA-UHFFFAOYSA-N 0 0 430.526 2.725 50 0 IFAARN CCC[C@@H](NC(=O)CCc1c(C)nc2c(c1C)c(=O)n(C)c(=O)n2C)c1cccs1 ZINC000009610425 569552539 /nfs/dbraw/zinc/55/25/39/569552539.db2.gz WBQKAMVFULGGEO-MRXNPFEDSA-N 0 0 428.558 2.901 50 0 IFAARN Cc1ccc2oc(=O)c3cc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)sc3c2c1 ZINC000009611196 569552753 /nfs/dbraw/zinc/55/27/53/569552753.db2.gz FQLCVUZLFQEKJA-UHFFFAOYSA-N 0 0 442.518 2.936 50 0 IFAARN Cc1ccccc1OCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009614109 569553065 /nfs/dbraw/zinc/55/30/65/569553065.db2.gz IZKDKLQNPBXQBA-UHFFFAOYSA-N 0 0 428.554 2.786 50 0 IFAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000009613800 569553072 /nfs/dbraw/zinc/55/30/72/569553072.db2.gz GSASRNUJZUAXRQ-HSZRJFAPSA-N 0 0 436.468 2.607 50 0 IFAARN CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(Cl)cc1 ZINC000009631799 569553804 /nfs/dbraw/zinc/55/38/04/569553804.db2.gz MVPLDNYPDONPCL-INIZCTEOSA-N 0 0 437.974 2.817 50 0 IFAARN CON(C)S(=O)(=O)c1cccc(C(=O)Oc2cccc(I)c2)c1 ZINC000009638228 569554990 /nfs/dbraw/zinc/55/49/90/569554990.db2.gz VZTRBHGHMDLHDK-UHFFFAOYSA-N 0 0 447.250 2.692 50 0 IFAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000009638740 569555033 /nfs/dbraw/zinc/55/50/33/569555033.db2.gz PFTGWKCRZFKZBE-OAHLLOKOSA-N 0 0 428.543 2.980 50 0 IFAARN Cc1cccc(-n2c(SCc3nnnn3-c3ccccc3)nnc2N2CCOCC2)c1 ZINC000009640357 569555376 /nfs/dbraw/zinc/55/53/76/569555376.db2.gz ZXAZQAOVIDWXMV-UHFFFAOYSA-N 0 0 434.529 2.680 50 0 IFAARN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1cccnc1SC(F)F ZINC000009642930 569555901 /nfs/dbraw/zinc/55/59/01/569555901.db2.gz IYVOMTAZSFWORE-UHFFFAOYSA-N 0 0 432.426 2.970 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl ZINC000009646566 569556320 /nfs/dbraw/zinc/55/63/20/569556320.db2.gz XFTSFKNYWSRJJS-UHFFFAOYSA-N 0 0 446.312 2.743 50 0 IFAARN CCOc1cccc2cc(C(=O)NCCn3nc(-c4ccc(F)cc4)ccc3=O)c(=O)oc21 ZINC000009660913 569556912 /nfs/dbraw/zinc/55/69/12/569556912.db2.gz UPGUFJVRTMTFKM-UHFFFAOYSA-N 0 0 449.438 2.985 50 0 IFAARN O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)Nc1ccc(F)cc1F ZINC000009660716 569556943 /nfs/dbraw/zinc/55/69/43/569556943.db2.gz WMLROOIRKHITDF-UHFFFAOYSA-N 0 0 440.381 2.663 50 0 IFAARN NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009664095 569557365 /nfs/dbraw/zinc/55/73/65/569557365.db2.gz NMWZVMVGDKGJOU-ZDUSSCGKSA-N 0 0 433.511 2.775 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000009664882 569557461 /nfs/dbraw/zinc/55/74/61/569557461.db2.gz LLEZITUWXBVQII-KRWDZBQOSA-N 0 0 430.526 2.739 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O)c1cc2ccccc2o1 ZINC000009665972 569557630 /nfs/dbraw/zinc/55/76/30/569557630.db2.gz HUNRUGGDVNUWMC-JBEBIEQOSA-N 0 0 449.463 2.848 50 0 IFAARN O=C(OCc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009666633 569557725 /nfs/dbraw/zinc/55/77/25/569557725.db2.gz WKFZRMQIMGOZIE-UHFFFAOYSA-N 0 0 427.482 2.881 50 0 IFAARN Nc1nc(COC(=O)CCNC(=O)c2ccc(Cl)cc2)nc(Nc2ccccc2)n1 ZINC000009670711 569558393 /nfs/dbraw/zinc/55/83/93/569558393.db2.gz YVXZWPHUAKDPSQ-UHFFFAOYSA-N 0 0 426.864 2.714 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cccc3ccccc32)cc1 ZINC000009670763 569558413 /nfs/dbraw/zinc/55/84/13/569558413.db2.gz WQKDNAHIANJWGM-UHFFFAOYSA-N 0 0 440.477 2.503 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC(C)CC1 ZINC000009673281 569558889 /nfs/dbraw/zinc/55/88/89/569558889.db2.gz DIDJBQWMNNSBSV-PEVDHWGLSA-N 0 0 434.602 2.951 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3cc(C)cc(C)c3)CC2)cc1 ZINC000009676808 569559468 /nfs/dbraw/zinc/55/94/68/569559468.db2.gz IBKWZIVTBIWZJW-UHFFFAOYSA-N 0 0 432.542 2.660 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000009676775 569559502 /nfs/dbraw/zinc/55/95/02/569559502.db2.gz BODYQHDRWIVFJS-UHFFFAOYSA-N 0 0 438.933 2.697 50 0 IFAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)c1ccccc1 ZINC000009677410 569559528 /nfs/dbraw/zinc/55/95/28/569559528.db2.gz VTYAQQCZJVLWBM-CQSZACIVSA-N 0 0 430.555 2.969 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C(=O)OC)cc3)ccc21 ZINC000009677317 569559533 /nfs/dbraw/zinc/55/95/33/569559533.db2.gz YPNVVEZGWSYTBY-UHFFFAOYSA-N 0 0 444.509 2.575 50 0 IFAARN CCc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)cc1 ZINC000009677970 569559613 /nfs/dbraw/zinc/55/96/13/569559613.db2.gz NYHBXWHJVZLQKQ-UHFFFAOYSA-N 0 0 428.880 2.976 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCc3ccco3)ccc21 ZINC000009692229 569561081 /nfs/dbraw/zinc/56/10/81/569561081.db2.gz GPIGTEFAQHPBBH-LJQANCHMSA-N 0 0 447.557 2.588 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)NCc3cccs3)C(C)C)ccc21 ZINC000009692148 569561082 /nfs/dbraw/zinc/56/10/82/569561082.db2.gz BGHBBWYYUIMDGE-FQEVSTJZSA-N 0 0 449.598 2.667 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(Cc2ccc3c(c2)OCO3)o1 ZINC000009702019 569561304 /nfs/dbraw/zinc/56/13/04/569561304.db2.gz HIHCBDLNMMHEIU-UHFFFAOYSA-N 0 0 449.872 2.845 50 0 IFAARN CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1 ZINC000009703132 569561326 /nfs/dbraw/zinc/56/13/26/569561326.db2.gz BIZLBIPQMLZSTN-UHFFFAOYSA-N 0 0 434.518 2.816 50 0 IFAARN O=C(CSc1nnc(-c2ccco2)o1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009704162 569561464 /nfs/dbraw/zinc/56/14/64/569561464.db2.gz RAPSKKQZXMUPOC-AWEZNQCLSA-N 0 0 425.532 2.770 50 0 IFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000009704176 569561493 /nfs/dbraw/zinc/56/14/93/569561493.db2.gz QUVCWTOXRRVONE-WHEQGISXSA-N 0 0 427.432 2.781 50 0 IFAARN CCN(CC)C(=O)Cn1c2ccccc2nc1S(=O)(=O)Cc1cc(OC)cc(OC)c1 ZINC000009707443 569561533 /nfs/dbraw/zinc/56/15/33/569561533.db2.gz IISVSUNGVGEUMH-UHFFFAOYSA-N 0 0 445.541 2.896 50 0 IFAARN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 ZINC000009708718 569561937 /nfs/dbraw/zinc/56/19/37/569561937.db2.gz IRYATVAQTRIVLS-FQEVSTJZSA-N 0 0 433.464 2.925 50 0 IFAARN CCOc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)cc1 ZINC000009708481 569561962 /nfs/dbraw/zinc/56/19/62/569561962.db2.gz AXASDUSHMIPSRZ-UHFFFAOYSA-N 0 0 436.555 2.800 50 0 IFAARN O=C(NCC1CCN(C(=O)c2ccncc2)CC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000070893703 569561995 /nfs/dbraw/zinc/56/19/95/569561995.db2.gz NGXZORKBIHOZNF-UHFFFAOYSA-N 0 0 434.418 2.708 50 0 IFAARN CCn1c(CN2CCc3ccccc3C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009713039 569562461 /nfs/dbraw/zinc/56/24/61/569562461.db2.gz KFGSQQFNUJUWHC-UHFFFAOYSA-N 0 0 440.569 2.635 50 0 IFAARN CC(=O)Cn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccc(F)cc2)n(C)c1=O ZINC000009713365 569562589 /nfs/dbraw/zinc/56/25/89/569562589.db2.gz BDPTWQCFNCRKTN-UHFFFAOYSA-N 0 0 431.427 2.534 50 0 IFAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CSc1nnnn1C1CCCC1 ZINC000009714898 569562978 /nfs/dbraw/zinc/56/29/78/569562978.db2.gz UQLNCVASRGUOQT-UHFFFAOYSA-N 0 0 435.579 2.878 50 0 IFAARN CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009715181 569563033 /nfs/dbraw/zinc/56/30/33/569563033.db2.gz QKDXYXJLIBWZFA-INIZCTEOSA-N 0 0 446.554 2.655 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N[C@H]1CCCC[C@@H]1C)cn2C ZINC000009724257 569563632 /nfs/dbraw/zinc/56/36/32/569563632.db2.gz DVMISFLINYXOLW-KXBFYZLASA-N 0 0 433.574 2.878 50 0 IFAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C1=O ZINC000009725872 569563879 /nfs/dbraw/zinc/56/38/79/569563879.db2.gz PTLOUVCZNLUJLW-DEOSSOPVSA-N 0 0 446.463 2.615 50 0 IFAARN CNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccccc3F)c2=O)CC1 ZINC000009725826 569563886 /nfs/dbraw/zinc/56/38/86/569563886.db2.gz BKERHFJDBXAYOU-UHFFFAOYSA-N 0 0 429.517 2.965 50 0 IFAARN CC(=O)c1ccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)cc1 ZINC000009726204 569563898 /nfs/dbraw/zinc/56/38/98/569563898.db2.gz UWKOUSVAFHWATA-UHFFFAOYSA-N 0 0 435.933 2.934 50 0 IFAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000009727712 569564051 /nfs/dbraw/zinc/56/40/51/569564051.db2.gz KODBCISABFYKFM-IBGZPJMESA-N 0 0 443.525 2.523 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Cc1c(F)cccc1Cl ZINC000009729172 569564206 /nfs/dbraw/zinc/56/42/06/569564206.db2.gz PIZZHLYBDAMNOQ-CQSZACIVSA-N 0 0 427.929 2.853 50 0 IFAARN CCCn1c2ccccc2nc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000009730440 569564427 /nfs/dbraw/zinc/56/44/27/569564427.db2.gz HBBXGINSWPCGJM-UHFFFAOYSA-N 0 0 432.571 2.545 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 ZINC000009731502 569564628 /nfs/dbraw/zinc/56/46/28/569564628.db2.gz MNIVKJHQYKHKHW-UHFFFAOYSA-N 0 0 449.540 2.634 50 0 IFAARN Cn1nc(CC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c2ccccc2c1=O ZINC000009737812 569564783 /nfs/dbraw/zinc/56/47/83/569564783.db2.gz PCBOXYQBLFIVJQ-UHFFFAOYSA-N 0 0 435.509 2.561 50 0 IFAARN COc1ccc(-n2c3nc(-c4ccc(Cl)cc4)nc(C(N)=O)c3[nH]c2=O)cc1OC ZINC000009739344 569565045 /nfs/dbraw/zinc/56/50/45/569565045.db2.gz DGTWECXVWMLMJG-UHFFFAOYSA-N 0 0 425.832 2.545 50 0 IFAARN O=C(NCc1ccc(N2CCCC2=O)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009740130 569565102 /nfs/dbraw/zinc/56/51/02/569565102.db2.gz CWAYERZDWBVUHC-UHFFFAOYSA-N 0 0 447.582 2.592 50 0 IFAARN COc1ccc(CNC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)cc1OC ZINC000009748945 569565969 /nfs/dbraw/zinc/56/59/69/569565969.db2.gz RKLGVJZGYFGPBH-UHFFFAOYSA-N 0 0 446.305 2.618 50 0 IFAARN COc1ccc(NC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)c(OC)c1 ZINC000009748889 569565972 /nfs/dbraw/zinc/56/59/72/569565972.db2.gz NTYXYAGBXRWJDQ-UHFFFAOYSA-N 0 0 432.278 2.941 50 0 IFAARN COc1cccc(CNC(=O)c2nnn(Cc3cc(Br)ccc3OC)c2N)c1 ZINC000009749206 569565995 /nfs/dbraw/zinc/56/59/95/569565995.db2.gz UXMKFBDXPVWBCR-UHFFFAOYSA-N 0 0 446.305 2.618 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1ccc(OC)cc1 ZINC000009761802 569566315 /nfs/dbraw/zinc/56/63/15/569566315.db2.gz XASOUVPTSHGPEL-UHFFFAOYSA-N 0 0 441.415 2.574 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1ccccc1OC ZINC000009761794 569566336 /nfs/dbraw/zinc/56/63/36/569566336.db2.gz DNWMNGUIBXYJSO-UHFFFAOYSA-N 0 0 441.415 2.574 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)c1cccc(OC)c1OC)CN(C(=O)OC)CC2 ZINC000009762038 569566456 /nfs/dbraw/zinc/56/64/56/569566456.db2.gz JMBXHCMBNVZJRZ-UHFFFAOYSA-N 0 0 434.470 2.929 50 0 IFAARN Cc1ccc(CN(C)C(=O)Cn2nc(C)c(S(=O)(=O)N3CCc4ccccc43)c2C)o1 ZINC000009762689 569566502 /nfs/dbraw/zinc/56/65/02/569566502.db2.gz OOCZLXMJKZHZIY-UHFFFAOYSA-N 0 0 442.541 2.811 50 0 IFAARN O=C(NCC(F)(F)F)c1nnn(-c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)n1 ZINC000071005018 569566580 /nfs/dbraw/zinc/56/65/80/569566580.db2.gz DGRKSVPIIQGQNM-UHFFFAOYSA-N 0 0 442.760 2.999 50 0 IFAARN COc1cccc(C(=O)Nc2ccc(-n3nnc(C(=O)NC4CCCC4)n3)cc2)c1OC ZINC000071002917 569566610 /nfs/dbraw/zinc/56/66/10/569566610.db2.gz MOWMLLWYYDXYBF-UHFFFAOYSA-N 0 0 436.472 2.604 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1nnnn1-c1ccccc1 ZINC000009764348 569566738 /nfs/dbraw/zinc/56/67/38/569566738.db2.gz WFDDENZHPQZQKO-UHFFFAOYSA-N 0 0 433.541 2.932 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000009766392 569566801 /nfs/dbraw/zinc/56/68/01/569566801.db2.gz ASISBFKKBDFAGM-AWEZNQCLSA-N 0 0 447.919 2.868 50 0 IFAARN Cc1ccc(F)cc1NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009779758 569567449 /nfs/dbraw/zinc/56/74/49/569567449.db2.gz FBJWQVODDLOXMQ-UHFFFAOYSA-N 0 0 447.488 2.855 50 0 IFAARN CCOc1ccc(NC(=O)CN2CCn3cccc3[C@@H]2C)cc1S(=O)(=O)N1CCCC1 ZINC000009780733 569567487 /nfs/dbraw/zinc/56/74/87/569567487.db2.gz YAAKRBBIXQSODC-KRWDZBQOSA-N 0 0 446.573 2.687 50 0 IFAARN COC(=O)[C@H](CC(C)C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009781735 569567634 /nfs/dbraw/zinc/56/76/34/569567634.db2.gz GCFPWFDAYQWGFZ-FQEVSTJZSA-N 0 0 438.590 2.888 50 0 IFAARN O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)NC(=O)NC1CCCC1 ZINC000009782312 569567654 /nfs/dbraw/zinc/56/76/54/569567654.db2.gz LTFSMGBUTVDGNE-UHFFFAOYSA-N 0 0 435.908 2.504 50 0 IFAARN Cc1noc(C)c1COc1ccc(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000009782067 569567666 /nfs/dbraw/zinc/56/76/66/569567666.db2.gz NHBNDTRPNYHLCL-UHFFFAOYSA-N 0 0 426.473 2.699 50 0 IFAARN O=C(N[C@H](c1ccco1)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009782481 569567727 /nfs/dbraw/zinc/56/77/27/569567727.db2.gz DUENTHFPTNOKEI-NRFANRHFSA-N 0 0 426.494 2.820 50 0 IFAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000009782631 569567750 /nfs/dbraw/zinc/56/77/50/569567750.db2.gz LAKINQLJPIYXII-AWEZNQCLSA-N 0 0 438.509 2.661 50 0 IFAARN CN(CC(=O)NC[C@H]1COc2ccccc2O1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000009788984 569567993 /nfs/dbraw/zinc/56/79/93/569567993.db2.gz XAJJNVBQNXTYQE-ZDUSSCGKSA-N 0 0 438.311 2.820 50 0 IFAARN CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009789381 569568098 /nfs/dbraw/zinc/56/80/98/569568098.db2.gz DUKUAZVBJSQJNS-ORAYPTAESA-N 0 0 429.498 2.550 50 0 IFAARN CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009789379 569568104 /nfs/dbraw/zinc/56/81/04/569568104.db2.gz DUKUAZVBJSQJNS-DJJJIMSYSA-N 0 0 429.498 2.550 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc2ccccn21 ZINC000009792888 569568354 /nfs/dbraw/zinc/56/83/54/569568354.db2.gz NCAJAVLVHUONPD-UHFFFAOYSA-N 0 0 445.570 2.943 50 0 IFAARN COc1ccc(C(C)=O)cc1COC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC000009797825 569568518 /nfs/dbraw/zinc/56/85/18/569568518.db2.gz YDHNUZDEIPZZBH-UHFFFAOYSA-N 0 0 433.482 2.704 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000009806304 569568913 /nfs/dbraw/zinc/56/89/13/569568913.db2.gz CTLRUXTUGWDUIG-HXUWFJFHSA-N 0 0 443.569 2.828 50 0 IFAARN Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000009807142 569568999 /nfs/dbraw/zinc/56/89/99/569568999.db2.gz BBOCMWCCPBYSGM-IBGZPJMESA-N 0 0 429.542 2.520 50 0 IFAARN COc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc(Cl)c1OCC(N)=O ZINC000009809760 569569021 /nfs/dbraw/zinc/56/90/21/569569021.db2.gz LBQWRFBVEUTYPO-AWEZNQCLSA-N 0 0 445.903 2.704 50 0 IFAARN COC(=O)Cn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)CCOc1ccccc1 ZINC000009809199 569569063 /nfs/dbraw/zinc/56/90/63/569569063.db2.gz RTQZJBSMVAZNPZ-LNVKXUELSA-N 0 0 427.482 2.731 50 0 IFAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000009813590 569569122 /nfs/dbraw/zinc/56/91/22/569569122.db2.gz JLEVAIMOWBYPJL-UHFFFAOYSA-N 0 0 441.557 2.762 50 0 IFAARN CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009827382 569569655 /nfs/dbraw/zinc/56/96/55/569569655.db2.gz XYBXRZNIBQOPLP-UHFFFAOYSA-N 0 0 436.843 2.524 50 0 IFAARN COc1cccc(-n2c(C)cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 ZINC000009829385 569570044 /nfs/dbraw/zinc/57/00/44/569570044.db2.gz NFWDSIVCVKWPLX-UHFFFAOYSA-N 0 0 429.480 2.698 50 0 IFAARN COc1cccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)c1 ZINC000009829474 569570132 /nfs/dbraw/zinc/57/01/32/569570132.db2.gz ZSENRDIHNKEXNV-UHFFFAOYSA-N 0 0 447.470 2.951 50 0 IFAARN COc1ccc(-c2nnc3ccc(SCC(=O)Nc4nnc(C)s4)nn32)cc1OC ZINC000009831646 569570199 /nfs/dbraw/zinc/57/01/99/569570199.db2.gz GXNYVFFWHXVBTK-UHFFFAOYSA-N 0 0 443.514 2.699 50 0 IFAARN COc1ccc(N(C(=O)c2cc(OC)cc(OC)c2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000009833940 569570493 /nfs/dbraw/zinc/57/04/93/569570493.db2.gz ZOQAEDAZKRZZAL-OAHLLOKOSA-N 0 0 433.482 2.679 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000009835305 569570637 /nfs/dbraw/zinc/57/06/37/569570637.db2.gz DWACUQORMOWWNE-UHFFFAOYSA-N 0 0 430.530 2.629 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000009835810 569570680 /nfs/dbraw/zinc/57/06/80/569570680.db2.gz UNKIHSAIJPODMM-UHFFFAOYSA-N 0 0 431.539 2.867 50 0 IFAARN O=C(CNC(=O)Cc1ccccc1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000009856396 569571613 /nfs/dbraw/zinc/57/16/13/569571613.db2.gz GGAHXZSBVHMEKZ-UHFFFAOYSA-N 0 0 436.537 2.944 50 0 IFAARN Cc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1 ZINC000009860695 569571885 /nfs/dbraw/zinc/57/18/85/569571885.db2.gz JHMUMASOYFUPKC-WOJBJXKFSA-N 0 0 443.594 2.956 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O ZINC000009860850 569571928 /nfs/dbraw/zinc/57/19/28/569571928.db2.gz FVZMPFMOWXRQJZ-UHFFFAOYSA-N 0 0 428.448 2.808 50 0 IFAARN C[C@@H](NC(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1cc2ccccc2o1 ZINC000009862128 569572056 /nfs/dbraw/zinc/57/20/56/569572056.db2.gz ULXVDMVWTPQFOV-KGLIPLIRSA-N 0 0 448.570 2.508 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)n1 ZINC000009874797 569572569 /nfs/dbraw/zinc/57/25/69/569572569.db2.gz HYLWIWHLAMGLJH-NRFANRHFSA-N 0 0 435.513 2.851 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1 ZINC000009885049 569572870 /nfs/dbraw/zinc/57/28/70/569572870.db2.gz COVUBVAKCOXXAG-IBGZPJMESA-N 0 0 427.570 2.669 50 0 IFAARN CSc1ncc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)n1-c1ccccc1 ZINC000009899010 569573053 /nfs/dbraw/zinc/57/30/53/569573053.db2.gz HEPJBKCBRQSNNJ-UHFFFAOYSA-N 0 0 430.555 2.775 50 0 IFAARN COc1ccc(-n2c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc2-c2ccncc2)cc1 ZINC000009925103 569573559 /nfs/dbraw/zinc/57/35/59/569573559.db2.gz WYYIBOJKSWASEU-MRXNPFEDSA-N 0 0 426.502 2.650 50 0 IFAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCCCCc1nc(-c2cccs2)no1 ZINC000009930184 569573632 /nfs/dbraw/zinc/57/36/32/569573632.db2.gz MJYCEVMWECYCQR-UHFFFAOYSA-N 0 0 442.497 2.786 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccccc2NC(=O)c2ccccc2)NC(=O)N[C@H]1C ZINC000009948937 569574221 /nfs/dbraw/zinc/57/42/21/569574221.db2.gz IUMDENTUTNWYKO-AWEZNQCLSA-N 0 0 437.452 2.614 50 0 IFAARN Cc1ccccc1-n1cnnc1SCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000009950829 569574361 /nfs/dbraw/zinc/57/43/61/569574361.db2.gz LNBXBWWVJHXFNU-QGZVFWFLSA-N 0 0 434.587 2.626 50 0 IFAARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009951056 569574412 /nfs/dbraw/zinc/57/44/12/569574412.db2.gz PLNZWPXHMFTJFK-ZDUSSCGKSA-N 0 0 443.554 2.911 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N1c2ccccc2C[C@H]1C ZINC000009951574 569574487 /nfs/dbraw/zinc/57/44/87/569574487.db2.gz BPHYXUFUXYOVOO-CYBMUJFWSA-N 0 0 430.555 2.774 50 0 IFAARN C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009953525 569574714 /nfs/dbraw/zinc/57/47/14/569574714.db2.gz UEHKUSLXRHGRAU-HNNXBMFYSA-N 0 0 449.602 2.908 50 0 IFAARN CSc1ccc([C@H]2NC(=O)N(CC(=O)NCc3ccc(C)cc3)C3=C2C(=O)OC3)cc1 ZINC000071326821 569575006 /nfs/dbraw/zinc/57/50/06/569575006.db2.gz RRSZAHVCFCTPGQ-OAQYLSRUSA-N 0 0 437.521 2.911 50 0 IFAARN CSc1ccc([C@@H]2NC(=O)N(CC(=O)NCc3ccc(F)cc3)C3=C2C(=O)OC3)cc1 ZINC000071326865 569575037 /nfs/dbraw/zinc/57/50/37/569575037.db2.gz POFWVTZYCZVICQ-FQEVSTJZSA-N 0 0 441.484 2.741 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(OC)cc2)c1C ZINC000071327046 569575091 /nfs/dbraw/zinc/57/50/91/569575091.db2.gz UOGMKDNSAFJQCK-UHFFFAOYSA-N 0 0 437.456 2.663 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2nnc(C(=O)Nc3ccccc3OC)c2C)c1 ZINC000071327419 569575268 /nfs/dbraw/zinc/57/52/68/569575268.db2.gz ZBFBAKNFGTUUJU-UHFFFAOYSA-N 0 0 425.445 2.503 50 0 IFAARN COc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(OC)ccc3OC)c2C)cc1 ZINC000071327417 569575287 /nfs/dbraw/zinc/57/52/87/569575287.db2.gz FUAPGYBEWPGFKC-UHFFFAOYSA-N 0 0 425.445 2.503 50 0 IFAARN COc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c(OC)c1 ZINC000071328274 569575510 /nfs/dbraw/zinc/57/55/10/569575510.db2.gz OIKRJLPDAXDFRZ-UHFFFAOYSA-N 0 0 435.440 2.719 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)NC(=O)N1CCN(c2ccccc2)CC1 ZINC000071328991 569575598 /nfs/dbraw/zinc/57/55/98/569575598.db2.gz LKEFNORALGKCIW-MRXNPFEDSA-N 0 0 439.516 2.512 50 0 IFAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O ZINC000009963393 569575809 /nfs/dbraw/zinc/57/58/09/569575809.db2.gz BDJHNADIISPXIW-QFIPXVFZSA-N 0 0 427.432 2.783 50 0 IFAARN COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 ZINC000009983617 569576596 /nfs/dbraw/zinc/57/65/96/569576596.db2.gz AANQRQOKPAOONH-UHFFFAOYSA-N 0 0 429.436 2.691 50 0 IFAARN Cc1c2ccccc2oc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000009984719 569576669 /nfs/dbraw/zinc/57/66/69/569576669.db2.gz MZEAGACZBGUHOY-UHFFFAOYSA-N 0 0 441.509 2.880 50 0 IFAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 ZINC000009986633 569576747 /nfs/dbraw/zinc/57/67/47/569576747.db2.gz CPMDJFUTIYUKDJ-BXKMTCNYSA-N 0 0 431.496 2.825 50 0 IFAARN Cc1nc(SCC(=O)c2c[nH]c3ccccc23)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000009994370 569576972 /nfs/dbraw/zinc/57/69/72/569576972.db2.gz LCCOCXYQRJOZQK-UHFFFAOYSA-N 0 0 437.525 2.911 50 0 IFAARN O=C(COC(=O)c1cccc(-n2cnnn2)c1)Nc1ccccc1C(=O)c1ccccc1 ZINC000010022011 569577209 /nfs/dbraw/zinc/57/72/09/569577209.db2.gz KCVVSRDBCQNNJS-UHFFFAOYSA-N 0 0 427.420 2.689 50 0 IFAARN Cc1nc(-c2ccc(CNC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)s2)cs1 ZINC000010105432 569577939 /nfs/dbraw/zinc/57/79/39/569577939.db2.gz KMDVUIXSSGILKH-UHFFFAOYSA-N 0 0 426.523 2.890 50 0 IFAARN C[C@@H](CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NC(=O)c1ccccc1 ZINC000010139176 569578109 /nfs/dbraw/zinc/57/81/09/569578109.db2.gz DKIVHQFHLNUQMN-INIZCTEOSA-N 0 0 437.496 2.801 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)cc1 ZINC000010186730 569578498 /nfs/dbraw/zinc/57/84/98/569578498.db2.gz LTXMBLJFYHHYLS-UHFFFAOYSA-N 0 0 449.536 2.865 50 0 IFAARN O=C(Nc1nc2cc3c(cc2s1)OCO3)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000010187075 569578554 /nfs/dbraw/zinc/57/85/54/569578554.db2.gz XEVASDVJDMSGFK-NSHDSACASA-N 0 0 437.524 2.878 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1 ZINC000010187753 569578692 /nfs/dbraw/zinc/57/86/92/569578692.db2.gz YEOFJAOMVMZRON-UHFFFAOYSA-N 0 0 438.411 2.861 50 0 IFAARN COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1 ZINC000010201780 569578956 /nfs/dbraw/zinc/57/89/56/569578956.db2.gz FAQGQJMQBKNYBA-UXHICEINSA-N 0 0 427.501 2.994 50 0 IFAARN Cc1ccc(Nc2nnc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)s2)cc1C ZINC000010212270 569578969 /nfs/dbraw/zinc/57/89/69/569578969.db2.gz RJGSYYGJOOJXSH-AWEZNQCLSA-N 0 0 426.589 2.636 50 0 IFAARN Cc1cn2c3c(nc2n1-c1ccccc1O)n(C)c(=O)n(Cc1cc(C)ccc1C)c3=O ZINC000010233444 569579553 /nfs/dbraw/zinc/57/95/53/569579553.db2.gz DORVVMBAFRMCGG-UHFFFAOYSA-N 0 0 429.480 2.818 50 0 IFAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1ccc2c(c1)OCCO2 ZINC000010239934 569579703 /nfs/dbraw/zinc/57/97/03/569579703.db2.gz KFFMEHVXKJQUQB-UHFFFAOYSA-N 0 0 426.469 2.800 50 0 IFAARN CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000010256100 569579980 /nfs/dbraw/zinc/57/99/80/569579980.db2.gz OLSSCKOKCWQHJM-NRFANRHFSA-N 0 0 441.553 2.569 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)CC1 ZINC000071769011 569580845 /nfs/dbraw/zinc/58/08/45/569580845.db2.gz TXAKPFHHNMKSJP-UHFFFAOYSA-N 0 0 438.503 2.551 50 0 IFAARN Cc1occc1-c1nnc(SCC(=O)N2CCC(C(N)=O)CC2)n1-c1ccccc1 ZINC000010337333 569581241 /nfs/dbraw/zinc/58/12/41/569581241.db2.gz JFUQAANPBLGXNO-UHFFFAOYSA-N 0 0 425.514 2.652 50 0 IFAARN CN(C)CCN(C(=O)Cc1ccc(F)cc1)c1nc2c(cccc2S(C)(=O)=O)s1 ZINC000010337323 569581249 /nfs/dbraw/zinc/58/12/49/569581249.db2.gz KOLSDOXLNBYGKE-UHFFFAOYSA-N 0 0 435.546 2.976 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000010375859 569581552 /nfs/dbraw/zinc/58/15/52/569581552.db2.gz AZDMUXPGLFQBFE-UHFFFAOYSA-N 0 0 432.590 2.668 50 0 IFAARN O=C(C1CCCCC1)N1c2ccc(S(=O)(=O)N3CCOCC3)c3cccc(c23)C1=O ZINC000010382237 569581740 /nfs/dbraw/zinc/58/17/40/569581740.db2.gz VHKGRIPBPDWVKU-UHFFFAOYSA-N 0 0 428.510 2.928 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000010386629 569581822 /nfs/dbraw/zinc/58/18/22/569581822.db2.gz SCTIALBFKXFQKG-UHFFFAOYSA-N 0 0 436.555 2.907 50 0 IFAARN C[C@H](C(=O)Nc1ccc(NC(=O)N(C[C@H]2CCCO2)C[C@@H]2CCCO2)cc1)n1cncn1 ZINC000071808657 569581846 /nfs/dbraw/zinc/58/18/46/569581846.db2.gz CJRVKCADSWLJSR-AHRSYUTCSA-N 0 0 442.520 2.670 50 0 IFAARN O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000071830325 569582098 /nfs/dbraw/zinc/58/20/98/569582098.db2.gz BJJGGWIDCVGKOP-IEZKXTBUSA-N 0 0 448.567 2.848 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(C)c2)NC(=O)N[C@@H]1c1ccccc1 ZINC000010433679 569582160 /nfs/dbraw/zinc/58/21/60/569582160.db2.gz YUBGJLRDZKFCHN-LJQANCHMSA-N 0 0 432.473 2.779 50 0 IFAARN CCCCn1c2nc(CO)n(CCC)c2c(=O)n(CCOc2ccc(Cl)cc2)c1=O ZINC000010487647 569582543 /nfs/dbraw/zinc/58/25/43/569582543.db2.gz AXWIHPVPQWGBCC-UHFFFAOYSA-N 0 0 434.924 2.795 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000010490137 569582569 /nfs/dbraw/zinc/58/25/69/569582569.db2.gz ITHDPNSQGYZYCH-UHFFFAOYSA-N 0 0 441.912 2.878 50 0 IFAARN O=S(=O)(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000010518364 569582699 /nfs/dbraw/zinc/58/26/99/569582699.db2.gz NPCWSFZZUFJTTP-UHFFFAOYSA-N 0 0 436.433 2.827 50 0 IFAARN O=S(=O)(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Br)cc1 ZINC000010516667 569582731 /nfs/dbraw/zinc/58/27/31/569582731.db2.gz NCKNDGGWTKPRNY-UHFFFAOYSA-N 0 0 431.333 2.691 50 0 IFAARN O=C(CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1nc2ccccc2s1 ZINC000032073929 569583263 /nfs/dbraw/zinc/58/32/63/569583263.db2.gz PHUPWIAPYFNALQ-ZDUSSCGKSA-N 0 0 426.473 2.933 50 0 IFAARN COC(=O)c1nc(NC(=O)CCN2Cc3ccccc3C2=O)sc1Cc1ccccc1 ZINC000072405379 569583681 /nfs/dbraw/zinc/58/36/81/569583681.db2.gz QDGQMIDHGVRRDR-UHFFFAOYSA-N 0 0 435.505 3.505 50 0 IFAARN COC(=O)c1nc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)sc1CC(C)C ZINC000072401906 569583682 /nfs/dbraw/zinc/58/36/82/569583682.db2.gz NFADQHVWSRLXNQ-UHFFFAOYSA-N 0 0 430.482 3.561 50 0 IFAARN COC(=O)c1nc(NC(=O)COc2cn(C)c(C)cc2=O)sc1-c1ccccc1Cl ZINC000072404739 569583718 /nfs/dbraw/zinc/58/37/18/569583718.db2.gz FCFGPRCWKFIFPD-UHFFFAOYSA-N 0 0 447.900 3.275 50 0 IFAARN COC(=O)c1nc(NC(=O)COc2coc(C)cc2=O)sc1-c1ccccc1Cl ZINC000072404841 569583726 /nfs/dbraw/zinc/58/37/26/569583726.db2.gz XIXAWNHEDCKSLA-UHFFFAOYSA-N 0 0 434.857 3.529 50 0 IFAARN CCOC(=O)c1sc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)nc1C ZINC000040288068 569584348 /nfs/dbraw/zinc/58/43/48/569584348.db2.gz BXYLPADBAMUVMH-UHFFFAOYSA-N 0 0 432.429 3.552 50 0 IFAARN CCOC(=O)c1sc(NC(=O)Cc2nn(CC(C)C)c(=O)c3ccccc23)nc1C ZINC000095476335 569584365 /nfs/dbraw/zinc/58/43/65/569584365.db2.gz SSAMHOGQDOXUCQ-UHFFFAOYSA-N 0 0 428.514 3.175 50 0 IFAARN COc1ccc(-c2nnsc2C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000036357011 569584466 /nfs/dbraw/zinc/58/44/66/569584466.db2.gz KAUCDBGAVPPEMN-UHFFFAOYSA-N 0 0 446.535 3.479 50 0 IFAARN O=C(Nc1ccc(Br)cc1F)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O ZINC000077099860 569585283 /nfs/dbraw/zinc/58/52/83/569585283.db2.gz TWLMDWQYXMUQCQ-UHFFFAOYSA-N 0 0 436.212 2.878 50 0 IFAARN Cn1nc(C2CCN(CC(=O)Nc3nc4ccccc4s3)CC2)n(-c2ccccc2)c1=O ZINC000077100649 569585432 /nfs/dbraw/zinc/58/54/32/569585432.db2.gz DIAURHFNRKLOGY-UHFFFAOYSA-N 0 0 448.552 2.999 50 0 IFAARN COc1cccc2sc(N3CC(OC(=O)Cc4ccc(S(C)(=O)=O)cc4)C3)nc21 ZINC000077100993 569585548 /nfs/dbraw/zinc/58/55/48/569585548.db2.gz IEHAUIZFFOTVBE-UHFFFAOYSA-N 0 0 432.523 2.683 50 0 IFAARN CCn1c(=O)n(CCOC)nc1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000077147276 569585658 /nfs/dbraw/zinc/58/56/58/569585658.db2.gz KCICPFJKVVXTCN-UHFFFAOYSA-N 0 0 426.439 2.750 50 0 IFAARN CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@](C)(O)c3cccs3)cc21 ZINC000077184995 569585886 /nfs/dbraw/zinc/58/58/86/569585886.db2.gz MYNIKSRLDSVUAP-QFIPXVFZSA-N 0 0 429.542 2.646 50 0 IFAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)/C=C/c1ccccc1)CC2)c1cnccn1 ZINC000077196320 569586048 /nfs/dbraw/zinc/58/60/48/569586048.db2.gz JIBLQJGTTWQECZ-YRNVUSSQSA-N 0 0 427.511 2.544 50 0 IFAARN Cc1ncn(CC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)c(=O)c1C ZINC000077197922 569586201 /nfs/dbraw/zinc/58/62/01/569586201.db2.gz GCNGFPRBTDVFGH-OAHLLOKOSA-N 0 0 427.505 2.924 50 0 IFAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)c1OC ZINC000077200435 569586454 /nfs/dbraw/zinc/58/64/54/569586454.db2.gz FQMJMCPSNXITGW-SFHVURJKSA-N 0 0 437.500 2.990 50 0 IFAARN CN1OC[C@H](S(=O)(=O)NCc2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000105048937 569587026 /nfs/dbraw/zinc/58/70/26/569587026.db2.gz GUCXQRCXTYLZAZ-ROUUACIJSA-N 0 0 444.431 2.840 50 0 IFAARN Cc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4nc5cccnc5n(C)c4=O)C3)c2c1 ZINC000033259577 569587321 /nfs/dbraw/zinc/58/73/21/569587321.db2.gz CYMPPKZAYNBSOP-SFHVURJKSA-N 0 0 444.539 2.694 50 0 IFAARN C=CCN1C2=C(C(=O)N(CC(=O)N3CCC(C)CC3)C2)[C@H](c2ccccc2Cl)NC1=O ZINC000034791876 569587657 /nfs/dbraw/zinc/58/76/57/569587657.db2.gz DFZLWUXSSVUVNL-NRFANRHFSA-N 0 0 442.947 2.947 50 0 IFAARN Cc1nc2c(c(=O)n1CC(=O)N1CCc3ccccc3C1)CCN(Cc1ccccc1)C2 ZINC000035456238 569587678 /nfs/dbraw/zinc/58/76/78/569587678.db2.gz DDSHTEGFKMUGAW-UHFFFAOYSA-N 0 0 428.536 2.695 50 0 IFAARN CCN1C2=C(C(=O)N([C@@H](C)C(=O)NC3CC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966423 569587780 /nfs/dbraw/zinc/58/77/80/569587780.db2.gz ZRYLEJANKSTDDH-APPDUMDISA-N 0 0 436.434 2.555 50 0 IFAARN CCOC(=O)CNC(=O)N1CCN(c2cc(Oc3ccc(Cl)c(C)c3)ncn2)CC1 ZINC000037356469 569587976 /nfs/dbraw/zinc/58/79/76/569587976.db2.gz FKOCIJYHZVDQFI-UHFFFAOYSA-N 0 0 433.896 2.625 50 0 IFAARN Cc1ccccc1C(=O)Nc1nccnc1C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1 ZINC000037576090 569588077 /nfs/dbraw/zinc/58/80/77/569588077.db2.gz YEJBIAHKUPJMLN-UHFFFAOYSA-N 0 0 438.532 2.740 50 0 IFAARN Cc1nn(C[C@H](O)Cn2c3ccccc3c3c2C(=O)N(C)CC3)c(C)c1Br ZINC000000644332 193869104 /nfs/dbraw/zinc/86/91/04/193869104.db2.gz OUTRNROAVINECG-CQSZACIVSA-N 0 0 431.334 2.906 50 0 IFAARN CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(CC)cc1 ZINC000006149693 193885599 /nfs/dbraw/zinc/88/55/99/193885599.db2.gz VDOJZPSFZSVCDQ-INIZCTEOSA-N 0 0 446.573 2.708 50 0 IFAARN C[C@H](CSc1nc2ccccc2o1)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000006283080 193895630 /nfs/dbraw/zinc/89/56/30/193895630.db2.gz KVPRDPXVYYANAV-ZDUSSCGKSA-N 0 0 440.529 2.593 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CCCn2nc(C)n3c4ccsc4cc3c2=O)CC1 ZINC000009848596 193906665 /nfs/dbraw/zinc/90/66/65/193906665.db2.gz GNXWRBYRMSYHGX-UHFFFAOYSA-N 0 0 445.545 2.536 50 0 IFAARN O=C(NCCN1CCOCC1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000019774485 193918277 /nfs/dbraw/zinc/91/82/77/193918277.db2.gz CDPQIRNCECSSPE-UHFFFAOYSA-N 0 0 437.397 2.616 50 0 IFAARN COc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)c1OC ZINC000055088667 193934858 /nfs/dbraw/zinc/93/48/58/193934858.db2.gz BHGMHVDMQFOYRW-SFHVURJKSA-N 0 0 449.910 2.503 50 0 IFAARN COc1cccc(-c2ccc(=O)n(CC(=O)NCCCc3nc4ccccc4n3C)n2)c1 ZINC000096230711 193937896 /nfs/dbraw/zinc/93/78/96/193937896.db2.gz YVZAHCJJELLUJN-UHFFFAOYSA-N 0 0 431.496 2.555 50 0 IFAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1 ZINC000000815712 132230978 /nfs/dbraw/zinc/23/09/78/132230978.db2.gz VVPKFWVLLGJAAJ-UHFFFAOYSA-N 0 0 437.949 2.748 50 0 IFAARN CC(=O)Nc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)s1 ZINC000000812311 132231000 /nfs/dbraw/zinc/23/10/00/132231000.db2.gz DXJKXXJWJBRAHQ-UHFFFAOYSA-N 0 0 427.939 2.717 50 0 IFAARN O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000009513089 132232341 /nfs/dbraw/zinc/23/23/41/132232341.db2.gz YJOPOKOSNBVEGP-UHFFFAOYSA-N 0 0 449.598 2.689 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000009493982 132232384 /nfs/dbraw/zinc/23/23/84/132232384.db2.gz HATNTHPQTYRUON-UHFFFAOYSA-N 0 0 438.484 2.809 50 0 IFAARN COc1ccccc1N1C[C@@H](C)Cn2c3c(nc21)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000009518785 132232546 /nfs/dbraw/zinc/23/25/46/132232546.db2.gz FLXKLBQAJWZIQB-OAHLLOKOSA-N 0 0 449.486 2.881 50 0 IFAARN CCCN(CC(=O)N1CCN(c2ccccn2)CC1)Cc1nnc(-c2cccs2)o1 ZINC000009515972 132232559 /nfs/dbraw/zinc/23/25/59/132232559.db2.gz NHMRFBURWOMPOA-UHFFFAOYSA-N 0 0 426.546 2.754 50 0 IFAARN COc1ccccc1N1C[C@@H](C)Cn2c3c(nc21)n(C)c(=O)n(Cc1ccccc1)c3=O ZINC000009519218 132233081 /nfs/dbraw/zinc/23/30/81/132233081.db2.gz SWNPMAWWYZSGBJ-MRXNPFEDSA-N 0 0 431.496 2.741 50 0 IFAARN COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)o1 ZINC000009416798 132234332 /nfs/dbraw/zinc/23/43/32/132234332.db2.gz YPJWGZNPZJJKFS-UHFFFAOYSA-N 0 0 428.470 2.610 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc2ccccc21 ZINC000009569988 132235226 /nfs/dbraw/zinc/23/52/26/132235226.db2.gz OVFPYJWEXMTMMQ-UHFFFAOYSA-N 0 0 441.528 2.861 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1Cl ZINC000009569982 132235264 /nfs/dbraw/zinc/23/52/64/132235264.db2.gz BSEKSZRWGIWCPV-UHFFFAOYSA-N 0 0 443.903 2.500 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 ZINC000009569990 132235270 /nfs/dbraw/zinc/23/52/70/132235270.db2.gz ABEDGXBRUNOCHZ-UHFFFAOYSA-N 0 0 441.528 2.861 50 0 IFAARN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000009574125 132236302 /nfs/dbraw/zinc/23/63/02/132236302.db2.gz LKRXAXHDAOJXKV-UHFFFAOYSA-N 0 0 431.471 2.777 50 0 IFAARN COc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 ZINC000009849568 132241883 /nfs/dbraw/zinc/24/18/83/132241883.db2.gz IJROPLRBLQZYDP-UHFFFAOYSA-N 0 0 449.902 2.835 50 0 IFAARN O=C(c1cccc(Cl)c1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000009851718 132242270 /nfs/dbraw/zinc/24/22/70/132242270.db2.gz FDOBIXGUVUOXFR-UHFFFAOYSA-N 0 0 433.903 2.885 50 0 IFAARN COc1ccc(C)cc1N1CCCn2c1nc1c2c(=O)n(CCc2ccccc2)c(=O)n1C ZINC000010102361 132242887 /nfs/dbraw/zinc/24/28/87/132242887.db2.gz QTUSIPUJAHCTEO-UHFFFAOYSA-N 0 0 445.523 2.998 50 0 IFAARN O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1 ZINC000010187231 132243315 /nfs/dbraw/zinc/24/33/15/132243315.db2.gz OHWJQBVHEVYFMW-MRXNPFEDSA-N 0 0 439.990 2.903 50 0 IFAARN COc1cc(CC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)ccc1C ZINC000010237643 132244172 /nfs/dbraw/zinc/24/41/72/132244172.db2.gz HFENKEYSLQBGKC-UHFFFAOYSA-N 0 0 425.529 2.858 50 0 IFAARN O=C(c1c(F)cccc1Cl)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000009824126 132244455 /nfs/dbraw/zinc/24/44/55/132244455.db2.gz SZFBZLCTPKRSKE-UHFFFAOYSA-N 0 0 437.866 2.965 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2ccccc2F)CC1 ZINC000001452050 132245619 /nfs/dbraw/zinc/24/56/19/132245619.db2.gz CHXPGCNJGVPTOJ-UHFFFAOYSA-N 0 0 431.533 2.963 50 0 IFAARN COc1cc(OC)nc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(C)n4)CC3)cc2)n1 ZINC000001742437 132246364 /nfs/dbraw/zinc/24/63/64/132246364.db2.gz YKYVJPHDBJKGAD-UHFFFAOYSA-N 0 0 434.500 2.530 50 0 IFAARN CCN1CCN(c2ncc3c(n2)C[C@@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)CC1 ZINC000002199977 132248667 /nfs/dbraw/zinc/24/86/67/132248667.db2.gz LFCXGNKMUFQVTH-OAHLLOKOSA-N 0 0 426.517 2.557 50 0 IFAARN COc1cccc(/C=c2\sc3n(c2=O)CN(c2cccc(Br)c2)CN=3)c1 ZINC000002343318 132252653 /nfs/dbraw/zinc/25/26/53/132252653.db2.gz OEEIHZOWSAQMLQ-MFOYZWKCSA-N 0 0 430.327 2.565 50 0 IFAARN COc1cccc(/C=c2\sc3n(c2=O)CN(c2ccc(Br)cc2)CN=3)c1 ZINC000002351357 132252667 /nfs/dbraw/zinc/25/26/67/132252667.db2.gz UXEWGRIISBRLQS-YVLHZVERSA-N 0 0 430.327 2.565 50 0 IFAARN COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000002616558 132255251 /nfs/dbraw/zinc/25/52/51/132255251.db2.gz KUQVZHMAKJEBKC-UHFFFAOYSA-N 0 0 425.514 2.843 50 0 IFAARN O=S(=O)(c1nnn2c1nc(N1CCOCC1)c1ccccc12)c1ccc(Cl)cc1 ZINC000002693299 132256297 /nfs/dbraw/zinc/25/62/97/132256297.db2.gz IDUQRGLKFTYJAO-UHFFFAOYSA-N 0 0 429.889 2.600 50 0 IFAARN Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1ccc(N2CCOCC2)c2nonc21 ZINC000002780827 132257139 /nfs/dbraw/zinc/25/71/39/132257139.db2.gz AIZFLXXTAKIPCK-UHFFFAOYSA-N 0 0 430.774 2.717 50 0 IFAARN O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(N2CCOCC2)c2nonc21 ZINC000002781275 132257142 /nfs/dbraw/zinc/25/71/42/132257142.db2.gz ZKOMPMXGURMAEL-UHFFFAOYSA-N 0 0 436.394 2.791 50 0 IFAARN CCCCNC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000002912050 132258551 /nfs/dbraw/zinc/25/85/51/132258551.db2.gz OSMKYMBZFFSJEL-UHFFFAOYSA-N 0 0 447.557 2.863 50 0 IFAARN O=C1CSC(=O)N1CCN/C=C1\C(=O)N(c2ccc(Cl)cn2)C(=O)c2ccccc21 ZINC000003339356 132264329 /nfs/dbraw/zinc/26/43/29/132264329.db2.gz PWIJCJMTFMXIPZ-GDNBJRDFSA-N 0 0 442.884 2.548 50 0 IFAARN O=C(CCCNS(=O)(=O)c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000004057389 132269104 /nfs/dbraw/zinc/26/91/04/132269104.db2.gz VWVDQXBBZPPIDR-UHFFFAOYSA-N 0 0 427.979 2.809 50 0 IFAARN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000004057930 132269265 /nfs/dbraw/zinc/26/92/65/132269265.db2.gz LCGZFQTWAUXXMJ-FQEVSTJZSA-N 0 0 445.560 2.791 50 0 IFAARN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3OC)cc2)CC1 ZINC000004121634 132270168 /nfs/dbraw/zinc/27/01/68/132270168.db2.gz HRAJEEJZMAUYCB-UHFFFAOYSA-N 0 0 426.542 2.881 50 0 IFAARN CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccccc2OC)c1 ZINC000004712215 132272989 /nfs/dbraw/zinc/27/29/89/132272989.db2.gz XFYPRZXONRXLAB-UHFFFAOYSA-N 0 0 425.485 2.793 50 0 IFAARN Cc1cc(C)c(OCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000008285043 132281164 /nfs/dbraw/zinc/28/11/64/132281164.db2.gz LZABERUGEXFRKC-UHFFFAOYSA-N 0 0 425.529 2.924 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2OC)no1 ZINC000008587226 132282827 /nfs/dbraw/zinc/28/28/27/132282827.db2.gz KRORPRCHVPNCEY-UHFFFAOYSA-N 0 0 428.514 2.819 50 0 IFAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CCOCC4)nc23)cc1 ZINC000008589387 132283443 /nfs/dbraw/zinc/28/34/43/132283443.db2.gz QHADADQWNHONKB-UHFFFAOYSA-N 0 0 429.527 2.571 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(Cl)cc2)[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000008590746 132283838 /nfs/dbraw/zinc/28/38/38/132283838.db2.gz XESMMTJZGZEFFC-HXUWFJFHSA-N 0 0 441.981 2.546 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1 ZINC000008600679 132286367 /nfs/dbraw/zinc/28/63/67/132286367.db2.gz PLHSDWJOYGPVBA-UHFFFAOYSA-N 0 0 429.542 2.505 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C)cc3C)ccc21 ZINC000008601072 132286566 /nfs/dbraw/zinc/28/65/66/132286566.db2.gz TXZAPWINXYDKFK-UHFFFAOYSA-N 0 0 429.542 2.862 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1F ZINC000008609999 132288069 /nfs/dbraw/zinc/28/80/69/132288069.db2.gz FQKKVDUMPXKQCC-UHFFFAOYSA-N 0 0 444.488 2.929 50 0 IFAARN Nn1c(Cc2cccc3ccccc32)nnc1SCC(=O)N1CC(=O)Nc2ccccc21 ZINC000008686290 132290530 /nfs/dbraw/zinc/29/05/30/132290530.db2.gz MFMIVCJCMOXWBL-UHFFFAOYSA-N 0 0 444.520 2.813 50 0 IFAARN Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000008725349 132291962 /nfs/dbraw/zinc/29/19/62/132291962.db2.gz YNYUUCIHSSJSRC-UHFFFAOYSA-N 0 0 436.541 2.508 50 0 IFAARN CC(C)c1ccc(NC(=O)[C@H]2C=C([O-])NC(N3CCN(c4ccccc4F)CC3)=[NH+]2)cc1 ZINC000008777037 132294037 /nfs/dbraw/zinc/29/40/37/132294037.db2.gz LAEZTGDWWXJDTA-HXUWFJFHSA-N 0 0 437.519 2.954 50 0 IFAARN COC(=O)C[C@@H]1COc2ccccc2N1S(=O)(=O)c1ccc(Br)cc1 ZINC000008782166 132294491 /nfs/dbraw/zinc/29/44/91/132294491.db2.gz JUNQRVKWVBKDKX-CYBMUJFWSA-N 0 0 426.288 2.969 50 0 IFAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000008845975 132295860 /nfs/dbraw/zinc/29/58/60/132295860.db2.gz DCNWEKHGDBBPSQ-UHFFFAOYSA-N 0 0 443.356 2.930 50 0 IFAARN CCCOc1c(Br)cc(C(=O)N2CCN(c3ncccn3)CC2)cc1OC ZINC000008855609 132296384 /nfs/dbraw/zinc/29/63/84/132296384.db2.gz SUHOZGMSZUHLEH-UHFFFAOYSA-N 0 0 435.322 2.999 50 0 IFAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc21)NC1CCCCC1 ZINC000009153208 132307031 /nfs/dbraw/zinc/30/70/31/132307031.db2.gz HFHSBELDJPJWDW-UHFFFAOYSA-N 0 0 443.525 2.662 50 0 IFAARN CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O ZINC000009156906 132307169 /nfs/dbraw/zinc/30/71/69/132307169.db2.gz CNSOYPOSFLDQEK-UHFFFAOYSA-N 0 0 445.479 2.820 50 0 IFAARN COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)c1 ZINC000009210085 132308896 /nfs/dbraw/zinc/30/88/96/132308896.db2.gz ZUORHXUTXLADMW-UHFFFAOYSA-N 0 0 431.496 2.804 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)NC4CCCC4)cc32)cc1 ZINC000009211473 132309213 /nfs/dbraw/zinc/30/92/13/132309213.db2.gz YVMZVOGRXBIBGL-UHFFFAOYSA-N 0 0 443.525 2.580 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000009228505 132310031 /nfs/dbraw/zinc/31/00/31/132310031.db2.gz WSXQNCNRHJNGKG-UHFFFAOYSA-N 0 0 433.574 2.946 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000009353494 132314205 /nfs/dbraw/zinc/31/42/05/132314205.db2.gz NSRHBVGHTLYKPV-UHFFFAOYSA-N 0 0 441.912 2.818 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1c2ccccc2oc1=O ZINC000009349242 132314207 /nfs/dbraw/zinc/31/42/07/132314207.db2.gz VTOCNMXAUOXGJK-UHFFFAOYSA-N 0 0 441.484 2.867 50 0 IFAARN O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000009379206 132314667 /nfs/dbraw/zinc/31/46/67/132314667.db2.gz UZULHKKOSPIZDD-UHFFFAOYSA-N 0 0 430.504 2.815 50 0 IFAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)c2ccccc2O1 ZINC000009406004 132315439 /nfs/dbraw/zinc/31/54/39/132315439.db2.gz PCYNMUJEOJKELZ-LJQANCHMSA-N 0 0 443.544 2.862 50 0 IFAARN O=C(C1CCN(c2nc(Cl)nc3nc[nH]c32)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009421158 132316339 /nfs/dbraw/zinc/31/63/39/132316339.db2.gz DOKKVXSYVVHXFS-UHFFFAOYSA-N 0 0 443.914 2.711 50 0 IFAARN CCCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O ZINC000009429659 132316953 /nfs/dbraw/zinc/31/69/53/132316953.db2.gz LNISKEMQKNHOST-BWKNWUBXSA-N 0 0 432.524 2.803 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1S(=O)(=O)NC1CC1 ZINC000009469165 132318685 /nfs/dbraw/zinc/31/86/85/132318685.db2.gz GXIPFMAMKDQDLF-UHFFFAOYSA-N 0 0 449.960 2.752 50 0 IFAARN C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000009492259 132319341 /nfs/dbraw/zinc/31/93/41/132319341.db2.gz STSYDKZAZRNIJR-HZSPNIEDSA-N 0 0 434.890 2.900 50 0 IFAARN COC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc2c(cc1C)N(C(C)=O)CCO2 ZINC000009503185 132319576 /nfs/dbraw/zinc/31/95/76/132319576.db2.gz VXDAEMMRSXLBSO-UHFFFAOYSA-N 0 0 446.525 2.725 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000009583900 132322435 /nfs/dbraw/zinc/32/24/35/132322435.db2.gz NCPVVXKZBIPCDP-UHFFFAOYSA-N 0 0 448.564 2.860 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000009635475 132324144 /nfs/dbraw/zinc/32/41/44/132324144.db2.gz GOYWXTMCDZLBNQ-UHFFFAOYSA-N 0 0 446.573 2.508 50 0 IFAARN O=C([C@@H]1COc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2O1)N1CCCCC1 ZINC000009683556 132325711 /nfs/dbraw/zinc/32/57/11/132325711.db2.gz LIPYJKNHOIRQPI-QFIPXVFZSA-N 0 0 442.537 2.980 50 0 IFAARN CCOC(=O)N1CCN(c2ncc3c(n2)C[C@@H](c2ccc(OC)cc2OC)CC3=O)CC1 ZINC000009939278 132332427 /nfs/dbraw/zinc/33/24/27/132332427.db2.gz QGPWDXWANNDABS-OAHLLOKOSA-N 0 0 440.500 2.685 50 0 IFAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)N1CCCc3ccccc31)C2=O ZINC000009985669 132333585 /nfs/dbraw/zinc/33/35/85/132333585.db2.gz KNDLITRGKXMGRH-GYCJOSAFSA-N 0 0 441.528 2.646 50 0 IFAARN COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c1 ZINC000010105011 132334753 /nfs/dbraw/zinc/33/47/53/132334753.db2.gz MQZQGUHTAMPPOJ-UHFFFAOYSA-N 0 0 435.459 2.635 50 0 IFAARN Cc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC(=O)c2ccccc2)c4=O)c1 ZINC000010105080 132334839 /nfs/dbraw/zinc/33/48/39/132334839.db2.gz DKMHANHQQJKZPJ-KRWDZBQOSA-N 0 0 443.507 2.876 50 0 IFAARN CC[C@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000010401469 132335816 /nfs/dbraw/zinc/33/58/16/132335816.db2.gz RXISGEFZVGPMSP-INIZCTEOSA-N 0 0 430.526 2.900 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 ZINC000010510694 132335977 /nfs/dbraw/zinc/33/59/77/132335977.db2.gz HBNAQCXNEFKLQR-UHFFFAOYSA-N 0 0 448.449 2.727 50 0 IFAARN COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000011027417 132337105 /nfs/dbraw/zinc/33/71/05/132337105.db2.gz ZLDGUBCKVDLTAR-UHFFFAOYSA-N 0 0 434.518 2.864 50 0 IFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)CCCOc3ccc4c(c3)OCO4)CC2)cc1 ZINC000011027376 132337138 /nfs/dbraw/zinc/33/71/38/132337138.db2.gz NHOGKFLVMHNDCW-UHFFFAOYSA-N 0 0 446.525 2.539 50 0 IFAARN Cc1sc2ncnc(SCC(=O)NCc3ccc(N4CCOCC4)nc3)c2c1C ZINC000011114517 132337217 /nfs/dbraw/zinc/33/72/17/132337217.db2.gz UCTYIRZRKJYSLK-UHFFFAOYSA-N 0 0 429.571 2.948 50 0 IFAARN O=C(c1cccc2ccccc21)N1CCC(C(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000011545429 132337820 /nfs/dbraw/zinc/33/78/20/132337820.db2.gz BOSDRIQSSQNNNY-UHFFFAOYSA-N 0 0 429.524 2.831 50 0 IFAARN C[C@H](Sc1ncnc2c1cnn2C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000011685401 132338621 /nfs/dbraw/zinc/33/86/21/132338621.db2.gz YUBFJSHYAGCPLL-VIFPVBQESA-N 0 0 436.419 2.848 50 0 IFAARN Cc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nn2)c1 ZINC000011696970 132338871 /nfs/dbraw/zinc/33/88/71/132338871.db2.gz SDLJPTLXNSNHNM-UHFFFAOYSA-N 0 0 428.493 2.574 50 0 IFAARN COc1cccc(C(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1OC ZINC000011697188 132338991 /nfs/dbraw/zinc/33/89/91/132338991.db2.gz BPQKPDIMIGKLJG-UHFFFAOYSA-N 0 0 434.500 2.903 50 0 IFAARN Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nn2)n1 ZINC000011697274 132338992 /nfs/dbraw/zinc/33/89/92/132338992.db2.gz KILDXGSOQBITAZ-UHFFFAOYSA-N 0 0 428.493 2.574 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1 ZINC000011697283 132338996 /nfs/dbraw/zinc/33/89/96/132338996.db2.gz ZFHGBZKCCCACSV-UHFFFAOYSA-N 0 0 438.557 2.997 50 0 IFAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 ZINC000011697603 132339111 /nfs/dbraw/zinc/33/91/11/132339111.db2.gz FPQSQBYACBMKQA-UHFFFAOYSA-N 0 0 430.921 2.780 50 0 IFAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000011697712 132339286 /nfs/dbraw/zinc/33/92/86/132339286.db2.gz JKQLXRXEZAGIPQ-UHFFFAOYSA-N 0 0 430.921 2.780 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN(c2nc(C)c3ccc(OC)cc3n2)C1)C(=O)OC ZINC000011789038 132339861 /nfs/dbraw/zinc/33/98/61/132339861.db2.gz FMEOKMASXOQVMB-NBQZKYEYSA-N 0 0 428.533 2.867 50 0 IFAARN Cc1cccc(N2CCN(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)CC2)c1C ZINC000013097791 132344391 /nfs/dbraw/zinc/34/43/91/132344391.db2.gz LVAWKDIKSGHDJC-DEOSSOPVSA-N 0 0 436.512 2.579 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCCc2ccccc21 ZINC000013109850 132344672 /nfs/dbraw/zinc/34/46/72/132344672.db2.gz MRMXLSYGNXNWQQ-LDADJPATSA-N 0 0 425.554 2.584 50 0 IFAARN O=C(CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)N1CCc2ccccc21 ZINC000013117642 132345084 /nfs/dbraw/zinc/34/50/84/132345084.db2.gz UOAGUWJPIKZUOT-UHFFFAOYSA-N 0 0 449.942 2.597 50 0 IFAARN CCn1nnc2c1ncnc2N1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000013533382 132349342 /nfs/dbraw/zinc/34/93/42/132349342.db2.gz VKFWBAHSRSHCLN-UHFFFAOYSA-N 0 0 427.512 2.800 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000013566581 132350397 /nfs/dbraw/zinc/35/03/97/132350397.db2.gz HFEZIYOOTNWXBZ-UHFFFAOYSA-N 0 0 428.297 2.745 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc1 ZINC000012563180 518405450 /nfs/dbraw/zinc/40/54/50/518405450.db2.gz IDRBIFAUQDBINC-UHFFFAOYSA-N 0 0 425.510 2.528 50 0 IFAARN CC(=O)c1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 ZINC000020532642 518432086 /nfs/dbraw/zinc/43/20/86/518432086.db2.gz ZZTMQHJMBPVHLB-ZDUSSCGKSA-N 0 0 430.482 2.720 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000012753782 518458358 /nfs/dbraw/zinc/45/83/58/518458358.db2.gz PZCFZNBECZWXJA-JOCHJYFZSA-N 0 0 426.538 2.842 50 0 IFAARN C/C=C(\C)CN1CCc2c(C(=O)OC)c(OCCCc3cccnc3)cc(=O)n2CC1 ZINC000012152075 518483916 /nfs/dbraw/zinc/48/39/16/518483916.db2.gz CTTPSSYXPIRJGN-JJPRUIFNSA-N 0 0 425.529 2.866 50 0 IFAARN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@@H]2C=CC=NN12 ZINC000015987307 518595555 /nfs/dbraw/zinc/59/55/55/518595555.db2.gz ZGARRZVIUISVCF-YHUYYLMFSA-N 0 0 430.302 2.778 50 0 IFAARN CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1(C)C ZINC000012849455 519443781 /nfs/dbraw/zinc/44/37/81/519443781.db2.gz PAUWUTPQRXWWKD-OALUTQOASA-N 0 0 433.574 2.750 50 0 IFAARN CC(C)Cc1nc2oc3c(ncnc3N3CCN(CCO)CC3)c2c2c1COC(C)(C)C2 ZINC000020519385 519461038 /nfs/dbraw/zinc/46/10/38/519461038.db2.gz VHJNGZPFUXRZAL-UHFFFAOYSA-N 0 0 439.560 2.935 50 0 IFAARN CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)CC1CC1 ZINC000036030766 519472337 /nfs/dbraw/zinc/47/23/37/519472337.db2.gz XZVGKEACXPGFEK-FQEVSTJZSA-N 0 0 449.548 2.934 50 0 IFAARN CC(C)N(C(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C(C)C ZINC000012730487 519554133 /nfs/dbraw/zinc/55/41/33/519554133.db2.gz QKWSTVXRICFLDV-UHFFFAOYSA-N 0 0 436.405 2.945 50 0 IFAARN CC(C)N(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1)C(=O)C1CC1 ZINC000036016495 519636313 /nfs/dbraw/zinc/63/63/13/519636313.db2.gz IZGHLCOCFPSEJS-UHFFFAOYSA-N 0 0 443.592 2.902 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)c(C)c3)cc2C[C@@H]1C ZINC000020529483 519639827 /nfs/dbraw/zinc/63/98/27/519639827.db2.gz AXVNDXKVQKXZMI-INIZCTEOSA-N 0 0 429.542 2.908 50 0 IFAARN CC(C)CCNC(=O)[C@@]1(C)CCC(=O)N1CCCN1CCN(c2ccccc2F)CC1 ZINC000021776479 519659784 /nfs/dbraw/zinc/65/97/84/519659784.db2.gz YCXBCBSKVMBBSM-XMMPIXPASA-N 0 0 432.584 2.881 50 0 IFAARN CC(C)N1C(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2OCc2ccc(F)cc2)C1=O ZINC000012409259 519664777 /nfs/dbraw/zinc/66/47/77/519664777.db2.gz PKNMUAIQZIHCIA-UHFFFAOYSA-N 0 0 449.504 2.832 50 0 IFAARN CC(=O)N[C@@H]1[C@@H](O)[C@@H]2O[C@H](c3ccco3)OC[C@H]2O[C@H]1Oc1cccc2ccccc21 ZINC000012902373 519691070 /nfs/dbraw/zinc/69/10/70/519691070.db2.gz FYTGFTLKWMSTHB-YTAOHXRWSA-N 0 0 425.437 2.516 50 0 IFAARN CC(=O)N[C@@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@H]1Oc1cccc2ccccc21 ZINC000012902367 519691271 /nfs/dbraw/zinc/69/12/71/519691271.db2.gz FYTGFTLKWMSTHB-LDENHOCBSA-N 0 0 425.437 2.516 50 0 IFAARN CC(=O)N[C@H](C)C(=O)N1CCN(Cc2cccc(-c3noc(C4CCCC4)n3)c2)CC1 ZINC000022640860 519692807 /nfs/dbraw/zinc/69/28/07/519692807.db2.gz QJUILEAQWOQUEC-MRXNPFEDSA-N 0 0 425.533 2.563 50 0 IFAARN CC(=O)N[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@H]1Oc1cccc2ccccc21 ZINC000253498536 519701452 /nfs/dbraw/zinc/70/14/52/519701452.db2.gz FYTGFTLKWMSTHB-UOKSHHMNSA-N 0 0 425.437 2.516 50 0 IFAARN CC(C)CN(C(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000021612931 519705122 /nfs/dbraw/zinc/70/51/22/519705122.db2.gz CGFUZSIYPWXSPL-INIZCTEOSA-N 0 0 445.965 2.712 50 0 IFAARN CC(C)NC(=O)N1CCN(c2ccc(NC(=O)CN(C)C(=O)c3cccs3)cc2)CC1 ZINC000036005773 519710775 /nfs/dbraw/zinc/71/07/75/519710775.db2.gz SMABEFPYECUAPQ-UHFFFAOYSA-N 0 0 443.573 2.699 50 0 IFAARN CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000033263552 519714495 /nfs/dbraw/zinc/71/44/95/519714495.db2.gz GUIADPCRXDLVQM-GFCCVEGCSA-N 0 0 435.937 2.821 50 0 IFAARN CC(=O)Nc1ccc(N2C(=O)c3cc(C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000035477344 519721201 /nfs/dbraw/zinc/72/12/01/519721201.db2.gz QYZLRALSFGJNLM-DEOSSOPVSA-N 0 0 431.496 2.885 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 ZINC000012553930 519722431 /nfs/dbraw/zinc/72/24/31/519722431.db2.gz FJGPADANPFRGMV-QFIPXVFZSA-N 0 0 436.512 2.864 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000012906359 519725710 /nfs/dbraw/zinc/72/57/10/519725710.db2.gz JHEKICANSJBSBH-GASCZTMLSA-N 0 0 431.514 2.695 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)Cc2ccco2)cc1 ZINC000008987659 519729904 /nfs/dbraw/zinc/72/99/04/519729904.db2.gz AQFYRJOPBQREPH-UHFFFAOYSA-N 0 0 441.509 2.745 50 0 IFAARN CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)[C@H]2CC(=O)c3ccccc32)CC1=O ZINC000020601609 519732666 /nfs/dbraw/zinc/73/26/66/519732666.db2.gz ULRYMSHGXPSSAG-UGKGYDQZSA-N 0 0 435.524 2.664 50 0 IFAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 ZINC000012379836 519754615 /nfs/dbraw/zinc/75/46/15/519754615.db2.gz LRHOREJRTCMJCN-QDMVCWPOSA-N 0 0 447.443 2.619 50 0 IFAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022805415 519760994 /nfs/dbraw/zinc/76/09/94/519760994.db2.gz RRIJNSRVHZMLMJ-OAQYLSRUSA-N 0 0 436.581 2.730 50 0 IFAARN CC(C)OCCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O ZINC000020719815 519764358 /nfs/dbraw/zinc/76/43/58/519764358.db2.gz FWZQMVPQGTXQQW-UHFFFAOYSA-N 0 0 447.495 2.672 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000012543420 519821274 /nfs/dbraw/zinc/82/12/74/519821274.db2.gz RKOFYVMSUUMOPP-FQEVSTJZSA-N 0 0 435.977 2.992 50 0 IFAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NCc2ccc(CC)cc2)C1=O ZINC000035534772 519849280 /nfs/dbraw/zinc/84/92/80/519849280.db2.gz KWOKDEWDHUASAY-UHFFFAOYSA-N 0 0 442.537 2.867 50 0 IFAARN CCCNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)cs2)CC1 ZINC000035424574 519867103 /nfs/dbraw/zinc/86/71/03/519867103.db2.gz JYXIMXRDBFEKBE-UHFFFAOYSA-N 0 0 441.619 2.547 50 0 IFAARN CCCC(=O)N1CCc2c(c(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)nn2C)C1 ZINC000035527184 519869459 /nfs/dbraw/zinc/86/94/59/519869459.db2.gz ORNPGSQLUFXAMC-KRWDZBQOSA-N 0 0 437.544 2.596 50 0 IFAARN CCCNC(=O)N(CC)CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000036062878 519883124 /nfs/dbraw/zinc/88/31/24/519883124.db2.gz SRQSKVOFNTUQMG-UHFFFAOYSA-N 0 0 444.967 2.887 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1 ZINC000021712902 519890713 /nfs/dbraw/zinc/89/07/13/519890713.db2.gz YITKOEHNJAFHNY-IBGZPJMESA-N 0 0 429.542 2.927 50 0 IFAARN CCOCCCNC(=O)c1ccccc1CN1c2ccccc2C(=O)N2CCC[C@@H]2C1=O ZINC000035458901 519895267 /nfs/dbraw/zinc/89/52/67/519895267.db2.gz IJMWBPDSPDTYSR-JOCHJYFZSA-N 0 0 435.524 2.994 50 0 IFAARN CCN(C(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000012922258 519897753 /nfs/dbraw/zinc/89/77/53/519897753.db2.gz XKQIPHUQYLOMRB-ZRDIBKRKSA-N 0 0 430.526 2.782 50 0 IFAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCC(=O)NCCOCC ZINC000022645256 519901190 /nfs/dbraw/zinc/90/11/90/519901190.db2.gz WWZXURBSUFZILX-UHFFFAOYSA-N 0 0 437.562 2.884 50 0 IFAARN CC(C)n1c(=O)cc(N2CCN(C(=O)CSc3ccccc3)CC2)n(C(C)C)c1=O ZINC000035536815 519920421 /nfs/dbraw/zinc/92/04/21/519920421.db2.gz LNTVIROLLIHPNN-UHFFFAOYSA-N 0 0 430.574 2.613 50 0 IFAARN CC(C)n1ncc2cc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3F)cnc21 ZINC000012774754 520085645 /nfs/dbraw/zinc/08/56/45/520085645.db2.gz DPGYMHXUTWUASJ-KRWDZBQOSA-N 0 0 431.493 2.943 50 0 IFAARN CCCCCCNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000022512100 520091857 /nfs/dbraw/zinc/09/18/57/520091857.db2.gz ANALQRFMDWMANK-MRXNPFEDSA-N 0 0 430.592 2.554 50 0 IFAARN CCCOc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1C ZINC000035594978 520411893 /nfs/dbraw/zinc/41/18/93/520411893.db2.gz DNOVKPVTPFEEGT-NRFANRHFSA-N 0 0 432.542 2.662 50 0 IFAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012706700 520458035 /nfs/dbraw/zinc/45/80/35/520458035.db2.gz JZANNGZNMYBRNR-LJQANCHMSA-N 0 0 436.574 2.551 50 0 IFAARN CCOC(=O)C1=C(C)N=C2SC(C(=O)OC)=CC(=O)N2[C@@H]1c1cccc(OC)c1OC ZINC000020353571 520478868 /nfs/dbraw/zinc/47/88/68/520478868.db2.gz SLJALIOESQDLCD-QGZVFWFLSA-N 0 0 446.481 2.584 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035991682 520509487 /nfs/dbraw/zinc/50/94/87/520509487.db2.gz GXJRJNGRYALSTG-NRFANRHFSA-N 0 0 443.544 2.783 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557856 520517104 /nfs/dbraw/zinc/51/71/04/520517104.db2.gz HZFAYIIGHXUOLJ-JOCHJYFZSA-N 0 0 438.503 2.819 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cccc(NC(C)=O)c2)NC(=O)N[C@H]1c1cccs1 ZINC000012719330 520523062 /nfs/dbraw/zinc/52/30/62/520523062.db2.gz OXWCWLJEUOEOBW-SFHVURJKSA-N 0 0 443.481 2.735 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000012437523 520527024 /nfs/dbraw/zinc/52/70/24/520527024.db2.gz KQRMGCURIUWANF-LJQANCHMSA-N 0 0 432.473 2.779 50 0 IFAARN CCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@H](C(F)(F)F)C[C@@H]2C)n(C)n1 ZINC000020606133 520542574 /nfs/dbraw/zinc/54/25/74/520542574.db2.gz ZLAIFHKHIZJRST-WFASDCNBSA-N 0 0 426.443 2.949 50 0 IFAARN CCCSCCCNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O ZINC000021944438 520564087 /nfs/dbraw/zinc/56/40/87/520564087.db2.gz VOGHNZVMTJZVJA-UHFFFAOYSA-N 0 0 425.554 2.861 50 0 IFAARN CCCCN1C(=O)c2cc(C(=O)NC3CCCC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877897 520564299 /nfs/dbraw/zinc/56/42/99/520564299.db2.gz VNAPEVSMWQFFRC-HSZRJFAPSA-N 0 0 429.565 2.629 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)n2c3ccccc3nc(C(F)(F)F)c2=O)CC1 ZINC000032944776 520565357 /nfs/dbraw/zinc/56/53/57/520565357.db2.gz QJGYDOJFRKUMLV-GFCCVEGCSA-N 0 0 425.407 2.778 50 0 IFAARN CCOC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)cs2)CC1 ZINC000035405241 520580759 /nfs/dbraw/zinc/58/07/59/520580759.db2.gz FGCLEABQMPSEPK-UHFFFAOYSA-N 0 0 428.576 2.584 50 0 IFAARN CCCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000020687639 520611883 /nfs/dbraw/zinc/61/18/83/520611883.db2.gz MAYBHIBAAFNNCD-UHFFFAOYSA-N 0 0 439.603 2.606 50 0 IFAARN CC1(C)O[C@@H]2[C@@H](O1)[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)O[C@H]1OC(C)(C)O[C@@H]21 ZINC000239297287 520612785 /nfs/dbraw/zinc/61/27/85/520612785.db2.gz DYPWYALADNLMHN-NJURLYQPSA-N 0 0 433.379 2.920 50 0 IFAARN CCOC(=O)CNC(=O)C[C@@H](c1ccc(OCC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000021530633 520783726 /nfs/dbraw/zinc/78/37/26/520783726.db2.gz VETOLFZMSGFIDR-IBGZPJMESA-N 0 0 440.496 2.860 50 0 IFAARN CCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)OCO2 ZINC000012411633 520790702 /nfs/dbraw/zinc/79/07/02/520790702.db2.gz XMEDUQCULUWRPH-VIZOYTHASA-N 0 0 443.843 2.999 50 0 biogenic,in-vitro IFAARN CC(C)(C)C(=O)N[C@H](n1cnc2c1ncnc2N1CCOCC1)C(Cl)(Cl)Cl ZINC000000799218 534516591 /nfs/dbraw/zinc/51/65/91/534516591.db2.gz LJAKCUTXRQDGOG-CYBMUJFWSA-N 0 0 435.743 2.694 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 ZINC000012538386 520799707 /nfs/dbraw/zinc/79/97/07/520799707.db2.gz ROCXSDDZZLZUDI-UHFFFAOYSA-N 0 0 428.514 2.839 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000012595880 520800161 /nfs/dbraw/zinc/80/01/61/520800161.db2.gz AOJGHVCBXCZGJR-UHFFFAOYSA-N 0 0 449.548 2.874 50 0 IFAARN CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCCN1CCOCC1 ZINC000020640985 520811917 /nfs/dbraw/zinc/81/19/17/520811917.db2.gz ZTZGHGIXEJYDBR-UHFFFAOYSA-N 0 0 447.582 2.989 50 0 IFAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)NCc1ccccc1 ZINC000020932399 520858462 /nfs/dbraw/zinc/85/84/62/520858462.db2.gz INLHBDFUFYAXQL-HXUWFJFHSA-N 0 0 426.513 2.873 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)n1 ZINC000021488194 520910785 /nfs/dbraw/zinc/91/07/85/520910785.db2.gz VWNMYXKMHMCREW-INIZCTEOSA-N 0 0 425.457 2.920 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)c2cn(CC)c3cc4c(cc3c2=O)OCO4)n1 ZINC000012323140 520913143 /nfs/dbraw/zinc/91/31/43/520913143.db2.gz PGDZKRHKKFHVIU-UHFFFAOYSA-N 0 0 429.454 2.565 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 ZINC000015741204 520929216 /nfs/dbraw/zinc/92/92/16/520929216.db2.gz KERVPYAPUKRBAU-UHFFFAOYSA-N 0 0 445.541 2.862 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CNC(=S)N(Cc2cccs2)C2CCCC2)CC1 ZINC000020678577 520945118 /nfs/dbraw/zinc/94/51/18/520945118.db2.gz XCQHCCAGYBVIEN-UHFFFAOYSA-N 0 0 438.619 2.668 50 0 IFAARN CC1CCC(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000021331825 520947820 /nfs/dbraw/zinc/94/78/20/520947820.db2.gz BXKCUYNXGYGAFD-UHFFFAOYSA-N 0 0 432.542 2.746 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)CC1 ZINC000020765434 520950947 /nfs/dbraw/zinc/95/09/47/520950947.db2.gz PDVSYDYNAMMQDV-UHFFFAOYSA-N 0 0 435.480 2.914 50 0 IFAARN CCOC(=O)N1CCN([C@H](c2ccc(C)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697754 520960017 /nfs/dbraw/zinc/96/00/17/520960017.db2.gz YUWRULOLKGPFBG-JOCHJYFZSA-N 0 0 443.544 2.681 50 0 IFAARN CCCC[C@@H](C(=O)c1ccccc1)n1c(Br)nc2c1c(=O)n(C)c(=O)n2C ZINC000012419634 520986910 /nfs/dbraw/zinc/98/69/10/520986910.db2.gz HRBSDSMVOCULSW-ZDUSSCGKSA-N 0 0 433.306 2.810 50 0 IFAARN CCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 ZINC000012553153 521006927 /nfs/dbraw/zinc/00/69/27/521006927.db2.gz IIECIOCCTRPKRR-SFHVURJKSA-N 0 0 436.622 2.988 50 0 IFAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)Nc3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000020994580 521034582 /nfs/dbraw/zinc/03/45/82/521034582.db2.gz IAQMCMQATJIRAY-UHFFFAOYSA-N 0 0 430.452 2.961 50 0 IFAARN CCOc1ccc(N2CCn3c2nnc(C(=O)N[C@H](C)CCc2ccccc2)c3=O)cc1 ZINC000012234166 521043228 /nfs/dbraw/zinc/04/32/28/521043228.db2.gz BOWHJBNNCVUCNG-QGZVFWFLSA-N 0 0 433.512 2.940 50 0 IFAARN CCOc1ccc(NC(=O)Cn2c(CC)nc3ccccc32)cc1S(=O)(=O)N(C)C ZINC000012690209 521074273 /nfs/dbraw/zinc/07/42/73/521074273.db2.gz DJNYWJVYAGKWQA-UHFFFAOYSA-N 0 0 430.530 2.886 50 0 IFAARN CCOc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1 ZINC000012797049 521075542 /nfs/dbraw/zinc/07/55/42/521075542.db2.gz RTMKOZQWEQUZJI-UHFFFAOYSA-N 0 0 434.562 2.958 50 0 IFAARN CCOc1ccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000011919067 521162312 /nfs/dbraw/zinc/16/23/12/521162312.db2.gz MHWXYGUVYCIXGY-MRXNPFEDSA-N 0 0 425.485 2.686 50 0 IFAARN CCOc1ccc(OCC(=O)Nc2cc(C3CC3)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1 ZINC000012129678 521163966 /nfs/dbraw/zinc/16/39/66/521163966.db2.gz LOEFIFIRARMINI-UHFFFAOYSA-N 0 0 435.484 2.738 50 0 IFAARN CCC(=O)N1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)[C@H](c2ccc(OC)cc2OC)C1 ZINC000036059994 521167025 /nfs/dbraw/zinc/16/70/25/521167025.db2.gz OYRVZXYCTLOMBB-OALUTQOASA-N 0 0 440.496 2.701 50 0 IFAARN CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)CN2C(=O)CSC2=O)C1 ZINC000012430112 521178122 /nfs/dbraw/zinc/17/81/22/521178122.db2.gz NSDJDXQYXUYFFH-QFIPXVFZSA-N 0 0 432.542 2.877 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc1 ZINC000012555658 521197930 /nfs/dbraw/zinc/19/79/30/521197930.db2.gz XKIBRDBGBDWMEE-UHFFFAOYSA-N 0 0 427.526 2.724 50 0 IFAARN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccc2OC)cc1Cl ZINC000012843623 521205886 /nfs/dbraw/zinc/20/58/86/521205886.db2.gz WXRSLSGPVXBCMB-CYBMUJFWSA-N 0 0 426.922 2.731 50 0 IFAARN CCC(=O)[C@@H]1CCCN(C(=O)CC[C@]2(Cc3ccc(OC)c(OC)c3)CCC(=O)N2)C1 ZINC000014879577 521235598 /nfs/dbraw/zinc/23/55/98/521235598.db2.gz QBVFVJBCVSLFFZ-KOSHJBKYSA-N 0 0 430.545 2.893 50 0 IFAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(OC)cc1 ZINC000015883569 521287610 /nfs/dbraw/zinc/28/76/10/521287610.db2.gz XRYOILZFBQYVRL-UHFFFAOYSA-N 0 0 442.541 2.714 50 0 IFAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(F)cc1F ZINC000015883566 521287931 /nfs/dbraw/zinc/28/79/31/521287931.db2.gz QBUKOUWYABIDDQ-UHFFFAOYSA-N 0 0 448.495 2.984 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(Br)c3)C2)C1 ZINC000034916569 521292522 /nfs/dbraw/zinc/29/25/22/521292522.db2.gz DJHGIXMLEHXMBG-HOTGVXAUSA-N 0 0 437.334 2.599 50 0 IFAARN CCCCc1nnc(NC(=O)CNC(=O)c2ccccc2I)s1 ZINC000023363543 521321072 /nfs/dbraw/zinc/32/10/72/521321072.db2.gz XIISVJCTOYUBQM-UHFFFAOYSA-N 0 0 444.298 2.854 50 0 IFAARN CCCc1cc(=O)n2nc(N(C)CC(=O)Nc3ccccc3Br)sc2n1 ZINC000021165186 521345568 /nfs/dbraw/zinc/34/55/68/521345568.db2.gz FSQKKFJHQWAWJP-UHFFFAOYSA-N 0 0 436.335 2.941 50 0 IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCCc4cccs4)CC3)sc2n1 ZINC000020866168 521345935 /nfs/dbraw/zinc/34/59/35/521345935.db2.gz AHEXJPBXFKWJEQ-UHFFFAOYSA-N 0 0 431.587 2.740 50 0 IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCCc4ccccc4)CC3)sc2n1 ZINC000021165860 521346315 /nfs/dbraw/zinc/34/63/15/521346315.db2.gz NYMHWGRNGPAYJT-UHFFFAOYSA-N 0 0 425.558 2.679 50 0 IFAARN CCCCn1c(=O)c2c3c(sc2nc1N1CCN(C(=O)COCC)CC1)CCCC3 ZINC000012323186 521356203 /nfs/dbraw/zinc/35/62/03/521356203.db2.gz WCAJLXYHMBZPQU-UHFFFAOYSA-N 0 0 432.590 2.822 50 0 IFAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)N(Cc1noc(C)n1)C(=O)CO2 ZINC000021703013 521374098 /nfs/dbraw/zinc/37/40/98/521374098.db2.gz BBBCQUQRUZSRAI-UHFFFAOYSA-N 0 0 442.497 2.514 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3cccnc3)CC2)c1C ZINC000035484047 521377156 /nfs/dbraw/zinc/37/71/56/521377156.db2.gz CMWOENDLNRKJGW-UHFFFAOYSA-N 0 0 426.517 2.762 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020574870 521383922 /nfs/dbraw/zinc/38/39/22/521383922.db2.gz RQOCXQFUJDJQBI-UHFFFAOYSA-N 0 0 425.938 2.973 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)c1ccccc1NC ZINC000012536489 521386137 /nfs/dbraw/zinc/38/61/37/521386137.db2.gz RNFUEEBVGQKBEE-UHFFFAOYSA-N 0 0 447.513 2.772 50 0 IFAARN CCCCn1nc(C)c(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1Cl ZINC000013113434 521396968 /nfs/dbraw/zinc/39/69/68/521396968.db2.gz HBLGATUDLPLVDI-UHFFFAOYSA-N 0 0 440.997 2.956 50 0 IFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)Nc1cccc(Cl)c1 ZINC000021717626 521399861 /nfs/dbraw/zinc/39/98/61/521399861.db2.gz INWAMAASWVBPKS-UHFFFAOYSA-N 0 0 441.937 2.872 50 0 IFAARN CCOC(=O)c1c(C)oc2nc(CSc3nnc(N(C(C)=O)C4CC4)s3)nc(N)c21 ZINC000022520724 521401685 /nfs/dbraw/zinc/40/16/85/521401685.db2.gz YTYCTZSIDPZTDR-UHFFFAOYSA-N 0 0 448.530 2.949 50 0 IFAARN CCCN(C(=O)COc1cccc(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000033469784 521421604 /nfs/dbraw/zinc/42/16/04/521421604.db2.gz KYLCMJULFKZWMY-UHFFFAOYSA-N 0 0 442.903 2.643 50 0 IFAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@H]1CCCO1)C(=O)NC(C)C ZINC000036031847 521432385 /nfs/dbraw/zinc/43/23/85/521432385.db2.gz RBAZZECUNMUKAI-HXUWFJFHSA-N 0 0 448.589 2.976 50 0 IFAARN CCCN(C(=O)c1ccc(C(F)(F)F)nc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012763362 521443228 /nfs/dbraw/zinc/44/32/28/521443228.db2.gz OUQDYLRIQNCSJA-UHFFFAOYSA-N 0 0 447.417 2.638 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(Cl)c2)cn1C ZINC000035376089 521448110 /nfs/dbraw/zinc/44/81/10/521448110.db2.gz VZFDOAVQZDEWNT-MRXNPFEDSA-N 0 0 439.921 2.647 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccccc1)C2=O ZINC000021878831 521455699 /nfs/dbraw/zinc/45/56/99/521455699.db2.gz YFUOHEQMWVAPRJ-XMMPIXPASA-N 0 0 438.528 2.923 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(CCc1cccs1)C2=O ZINC000021522829 521456963 /nfs/dbraw/zinc/45/69/63/521456963.db2.gz RFKSCXRVVZVVIZ-JOCHJYFZSA-N 0 0 446.573 2.741 50 0 IFAARN CCN(Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012558104 521469697 /nfs/dbraw/zinc/46/96/97/521469697.db2.gz UXWUANYQLJVEFD-SFHVURJKSA-N 0 0 429.571 2.932 50 0 IFAARN CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1ccccc1Cl ZINC000012703593 521483733 /nfs/dbraw/zinc/48/37/33/521483733.db2.gz BCHVUSUNOOPZPD-HXUWFJFHSA-N 0 0 429.948 2.788 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2Cc2cccnc2)cc1 ZINC000005947771 521498098 /nfs/dbraw/zinc/49/80/98/521498098.db2.gz UHYPIOWMTIYXGJ-GOSISDBHSA-N 0 0 440.525 2.605 50 0 IFAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2OC)n1N ZINC000021576091 521531089 /nfs/dbraw/zinc/53/10/89/521531089.db2.gz WNZPJENHFMLCDT-UHFFFAOYSA-N 0 0 429.502 2.806 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000012552340 521535248 /nfs/dbraw/zinc/53/52/48/521535248.db2.gz FUIQSLCFBMPFBD-UHFFFAOYSA-N 0 0 434.562 2.958 50 0 IFAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NC)C(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966566 521543393 /nfs/dbraw/zinc/54/33/93/521543393.db2.gz RTUWQRMWCMIIBJ-DLBZAZTESA-N 0 0 438.450 2.659 50 0 IFAARN CCN1C2=C(C(=O)N(CCC(=O)NCc3ccccn3)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000035967475 521544060 /nfs/dbraw/zinc/54/40/60/521544060.db2.gz OGBSPLAJAZGOMN-QHCPKHFHSA-N 0 0 447.539 2.587 50 0 IFAARN CCN1C2=C(C(=O)N(CCC(=O)NCc3ccccn3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000035967478 521544142 /nfs/dbraw/zinc/54/41/42/521544142.db2.gz OGBSPLAJAZGOMN-HSZRJFAPSA-N 0 0 447.539 2.587 50 0 IFAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(Cl)c2)c1N ZINC000020575026 521551852 /nfs/dbraw/zinc/55/18/52/521551852.db2.gz FMNHDAROIQMLDL-UHFFFAOYSA-N 0 0 444.879 2.812 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1nc2c(Sc3ccccc3)nccn2c1=O ZINC000035528149 521554111 /nfs/dbraw/zinc/55/41/11/521554111.db2.gz ONXSFTONEUAFPS-UHFFFAOYSA-N 0 0 449.492 2.858 50 0 IFAARN CCCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)s1 ZINC000020442705 521562072 /nfs/dbraw/zinc/56/20/72/521562072.db2.gz OKNOHIOHVVEHKT-UHFFFAOYSA-N 0 0 449.552 2.701 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)c1N ZINC000021651857 521577188 /nfs/dbraw/zinc/57/71/88/521577188.db2.gz HSQNNFJBGACHPJ-UHFFFAOYSA-N 0 0 437.475 2.733 50 0 IFAARN CCOC(=O)c1sc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)nc1C ZINC000009664041 521614092 /nfs/dbraw/zinc/61/40/92/521614092.db2.gz OJUUKYPQNRKDHW-LBPRGKRZSA-N 0 0 443.572 2.872 50 0 IFAARN CCCn1c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccc(C)c1 ZINC000012770391 521633085 /nfs/dbraw/zinc/63/30/85/521633085.db2.gz JXHSHRDMOZUURF-KRWDZBQOSA-N 0 0 436.603 2.791 50 0 IFAARN CCCn1c2nnc(CCC(=O)NCc3ccccc3OC)n2c2ccsc2c1=O ZINC000035528673 521641240 /nfs/dbraw/zinc/64/12/40/521641240.db2.gz ZZTPWUBDDRDLGE-UHFFFAOYSA-N 0 0 425.514 2.773 50 0 IFAARN CCCn1c2nnc(CCC(=O)NCc3ccc(OC)cc3)n2c2ccsc2c1=O ZINC000035528676 521641539 /nfs/dbraw/zinc/64/15/39/521641539.db2.gz DYAMOLKRLXWMOV-UHFFFAOYSA-N 0 0 425.514 2.773 50 0 IFAARN CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CC1 ZINC000012788121 521661599 /nfs/dbraw/zinc/66/15/99/521661599.db2.gz PFTJEVRXBSHUPJ-UHFFFAOYSA-N 0 0 431.562 2.672 50 0 IFAARN CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OC)c(F)c3)ccc21 ZINC000012180490 521665011 /nfs/dbraw/zinc/66/50/11/521665011.db2.gz JMYPCESCRPRZDZ-UHFFFAOYSA-N 0 0 428.507 2.737 50 0 IFAARN CCN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)CC1 ZINC000022468838 521667639 /nfs/dbraw/zinc/66/76/39/521667639.db2.gz APSMWOGOQATTIZ-KRWDZBQOSA-N 0 0 437.569 2.734 50 0 IFAARN CCCN(C[C@@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(CCCOC)C1=O ZINC000012571002 521676485 /nfs/dbraw/zinc/67/64/85/521676485.db2.gz HPEZVWDZRQDPOW-CPJSRVTESA-N 0 0 444.572 2.836 50 0 IFAARN CCS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000022285891 521689671 /nfs/dbraw/zinc/68/96/71/521689671.db2.gz ZORPVNMLWUHTSF-LHSJRXKWSA-N 0 0 435.546 2.556 50 0 IFAARN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCNC(=O)c1ccc(F)cc1F ZINC000012740725 521693951 /nfs/dbraw/zinc/69/39/51/521693951.db2.gz RIJTYPADPSEIRP-UHFFFAOYSA-N 0 0 434.468 2.822 50 0 IFAARN CCCN1C(=O)c2c(C(=O)N3CCc4ccccc43)ncn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000035504761 521701670 /nfs/dbraw/zinc/70/16/70/521701670.db2.gz YRQNPAPMVCSVAY-VWLOTQADSA-N 0 0 449.555 2.769 50 0 IFAARN CCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000021657659 521730994 /nfs/dbraw/zinc/73/09/94/521730994.db2.gz WQWRCIRKXAEXEY-UHFFFAOYSA-N 0 0 444.582 2.653 50 0 IFAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000035948852 521739448 /nfs/dbraw/zinc/73/94/48/521739448.db2.gz DHIULDUOCIRYMK-IBGZPJMESA-N 0 0 428.489 2.644 50 0 IFAARN COC(=O)c1c2c(nc3c1c(-c1ccc(F)cc1)nn3[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000023136706 521784262 /nfs/dbraw/zinc/78/42/62/521784262.db2.gz AQPOLSFPIYGRHT-AWEZNQCLSA-N 0 0 429.473 2.872 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1cc(C)ccc1C)c(=O)n2Cc1ccco1 ZINC000012447203 521828719 /nfs/dbraw/zinc/82/87/19/521828719.db2.gz VULQOFIRVZYJFV-UHFFFAOYSA-N 0 0 433.464 2.960 50 0 IFAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1cccnc1)c(=O)n2-c1ccccc1 ZINC000020220712 521831622 /nfs/dbraw/zinc/83/16/22/521831622.db2.gz KOLHFWCBBHZHCU-UHFFFAOYSA-N 0 0 428.448 2.655 50 0 IFAARN COC(=O)c1cc(CNC(=O)Cc2cccs2)cc(NC(=O)c2cc(C)nn2C)c1 ZINC000012244764 521848826 /nfs/dbraw/zinc/84/88/26/521848826.db2.gz OWSXPAGAEMTHGI-UHFFFAOYSA-N 0 0 426.498 2.688 50 0 IFAARN CCc1ccccc1NC(=O)CNC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000015557725 521872227 /nfs/dbraw/zinc/87/22/27/521872227.db2.gz DMUSNAYWQBEUCW-UHFFFAOYSA-N 0 0 431.558 2.956 50 0 IFAARN COC(=O)c1cc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(C(=O)OC)c1 ZINC000012801706 521877065 /nfs/dbraw/zinc/87/70/65/521877065.db2.gz OKWGEGMCABOQFS-UHFFFAOYSA-N 0 0 442.512 2.921 50 0 IFAARN COC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c(F)cc1F ZINC000022889530 521880208 /nfs/dbraw/zinc/88/02/08/521880208.db2.gz QSISLYIFVXTWCZ-UHFFFAOYSA-N 0 0 438.861 2.726 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@@H]3C)C2)cc(C(=O)OC)c1 ZINC000023131494 521886275 /nfs/dbraw/zinc/88/62/75/521886275.db2.gz KPXKEYGMVTYBJQ-QOIYZWAUSA-N 0 0 430.501 2.872 50 0 IFAARN COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1nn(-c2ccccc2)nc1C ZINC000015084132 521900007 /nfs/dbraw/zinc/90/00/07/521900007.db2.gz WGEJVLARIJEORY-UHFFFAOYSA-N 0 0 426.429 2.640 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)cc2Cl)cn1C ZINC000035375981 521907432 /nfs/dbraw/zinc/90/74/32/521907432.db2.gz KDLKTXSMMKZHAX-MRXNPFEDSA-N 0 0 439.921 2.565 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1)C2=O ZINC000021878470 521922706 /nfs/dbraw/zinc/92/27/06/521922706.db2.gz IHKGRWOYHQTJSQ-XMMPIXPASA-N 0 0 438.528 2.923 50 0 IFAARN CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)N(C)Cc3ccccc3)cc2)CC1 ZINC000012751352 521960784 /nfs/dbraw/zinc/96/07/84/521960784.db2.gz IQYJERPYOCARFP-UHFFFAOYSA-N 0 0 431.558 2.608 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCOc2ccccc2)c1 ZINC000021319059 521985198 /nfs/dbraw/zinc/98/51/98/521985198.db2.gz GHRPCXMRIZBZTL-UHFFFAOYSA-N 0 0 431.558 2.736 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000012916618 521990422 /nfs/dbraw/zinc/99/04/22/521990422.db2.gz KZMTVLBISTWJPZ-UHFFFAOYSA-N 0 0 435.354 2.995 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000012598821 521999908 /nfs/dbraw/zinc/99/99/08/521999908.db2.gz NFCJBIWZRRZKNJ-UHFFFAOYSA-N 0 0 432.498 2.700 50 0 IFAARN COCCn1c(=O)c2cc(Br)ccc2nc1S[C@H]1CCCCNC1=O ZINC000011971863 522057014 /nfs/dbraw/zinc/05/70/14/522057014.db2.gz PMDZJRYAALDLIH-AWEZNQCLSA-N 0 0 426.336 2.566 50 0 IFAARN CC[C@H](C)n1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)NCC2(O)CCCCC2)c1 ZINC000015069249 522071392 /nfs/dbraw/zinc/07/13/92/522071392.db2.gz ZNPNFWLIYGXNSW-INIZCTEOSA-N 0 0 429.517 2.767 50 0 IFAARN COCCn1c2c(cc(F)cc2F)sc1=NC(=O)CS(=O)(=O)Cc1ccccc1 ZINC000012310981 522073796 /nfs/dbraw/zinc/07/37/96/522073796.db2.gz FZFAZLPXFJPFDC-ZBJSNUHESA-N 0 0 440.493 2.670 50 0 IFAARN COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 ZINC000012468438 522078074 /nfs/dbraw/zinc/07/80/74/522078074.db2.gz ZKKZXKNJTVJOEQ-HXUWFJFHSA-N 0 0 432.480 2.861 50 0 IFAARN COc1cc(C(=O)N2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc(OC)c1OC ZINC000020745208 522081513 /nfs/dbraw/zinc/08/15/13/522081513.db2.gz DZWUDBCULAWTJJ-UHFFFAOYSA-N 0 0 437.496 2.802 50 0 IFAARN COC(=O)c1ccc(NC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(C)c2=O)cc1 ZINC000021640861 522089607 /nfs/dbraw/zinc/08/96/07/522089607.db2.gz SVKFETKGILXGFE-UHFFFAOYSA-N 0 0 445.479 2.786 50 0 IFAARN COC(=O)c1ccc(NC(=O)NCc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1 ZINC000032995928 522109598 /nfs/dbraw/zinc/10/95/98/522109598.db2.gz GATRIPSIZMZQNI-UHFFFAOYSA-N 0 0 435.465 2.926 50 0 IFAARN COc1cc(C(=O)NCc2cn3ccsc3n2)ccc1OC1CCN(C(C)=O)CC1 ZINC000012316586 522129419 /nfs/dbraw/zinc/12/94/19/522129419.db2.gz MZQVCHOQUDSRCD-UHFFFAOYSA-N 0 0 428.514 2.724 50 0 IFAARN CCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)Nc4ccccn4)CC3)c2)no1 ZINC000033086584 522149247 /nfs/dbraw/zinc/14/92/47/522149247.db2.gz DUODEOCHKFIZJG-UHFFFAOYSA-N 0 0 441.513 2.733 50 0 IFAARN COc1cc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C)c(C)c(=O)[nH]2)cc(OC)c1OC ZINC000012126947 522151425 /nfs/dbraw/zinc/15/14/25/522151425.db2.gz NTCOCOSYDYBLDK-UHFFFAOYSA-N 0 0 439.472 2.728 50 0 IFAARN COc1cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc(Cl)c1OC ZINC000021241637 522168797 /nfs/dbraw/zinc/16/87/97/522168797.db2.gz JSKNEQFZXABPGI-UHFFFAOYSA-N 0 0 434.876 2.989 50 0 IFAARN COc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1C ZINC000012443472 522220284 /nfs/dbraw/zinc/22/02/84/522220284.db2.gz XJUMHHWXNVLQJJ-UHFFFAOYSA-N 0 0 439.541 2.675 50 0 IFAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000012913553 522252702 /nfs/dbraw/zinc/25/27/02/522252702.db2.gz QSOYGJRNGJCUTE-GFCCVEGCSA-N 0 0 430.885 2.810 50 0 IFAARN COC(=O)c1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000012761058 522267274 /nfs/dbraw/zinc/26/72/74/522267274.db2.gz WNJIWTVHWKVZSA-HOTGVXAUSA-N 0 0 446.525 2.548 50 0 IFAARN CNS(=O)(=O)c1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1C ZINC000022702356 522269857 /nfs/dbraw/zinc/26/98/57/522269857.db2.gz KZCLAPJCPGSJDG-UHFFFAOYSA-N 0 0 428.514 2.899 50 0 IFAARN COC(=O)c1cnn(-c2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2)c1N ZINC000021652203 522349659 /nfs/dbraw/zinc/34/96/59/522349659.db2.gz BHRFIQBATGEIKH-UHFFFAOYSA-N 0 0 433.512 2.820 50 0 IFAARN COc1cc(CN(C)S(=O)(=O)c2cc(N3CCCC3=O)ccc2C)cc(OC)c1OC ZINC000012462454 522355087 /nfs/dbraw/zinc/35/50/87/522355087.db2.gz ZFHGOQJHMBLBRW-UHFFFAOYSA-N 0 0 448.541 2.968 50 0 biogenic,in-vitro IFAARN COC(=O)c1ncn2c1C(=O)N(CCc1cccs1)[C@](C)(C(=O)NC1CCCCC1)C2 ZINC000021873093 522392364 /nfs/dbraw/zinc/39/23/64/522392364.db2.gz UELAACCUDDPJBR-QFIPXVFZSA-N 0 0 444.557 2.637 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1C)[C@@](C)(C(=O)NCc1ccccc1)C2 ZINC000021926429 522394005 /nfs/dbraw/zinc/39/40/05/522394005.db2.gz HIZBCPHCKNNVAG-RUZDIDTESA-N 0 0 446.507 2.709 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1cccs1)[C@](C)(C(=O)NC1CCCCC1)C2 ZINC000021873058 522394307 /nfs/dbraw/zinc/39/43/07/522394307.db2.gz CXQZMSVBBUGENJ-NRFANRHFSA-N 0 0 430.530 2.595 50 0 IFAARN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O ZINC000012753538 522434148 /nfs/dbraw/zinc/43/41/48/522434148.db2.gz DLGOVOFIWNHVBZ-HZPDHXFCSA-N 0 0 426.517 2.839 50 0 IFAARN CN(CC(=O)N1CCN(Cc2ccccc2)CC1)[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000012692174 522437057 /nfs/dbraw/zinc/43/70/57/522437057.db2.gz FYFNBSLVIJIBJI-VWLOTQADSA-N 0 0 434.584 2.626 50 0 IFAARN CN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000021532048 522485833 /nfs/dbraw/zinc/48/58/33/522485833.db2.gz QESVYOPSBKECDG-UHFFFAOYSA-N 0 0 435.933 2.552 50 0 IFAARN CN(CC(=O)NCc1ccco1)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000012765764 522488578 /nfs/dbraw/zinc/48/85/78/522488578.db2.gz LFGKZQSZVMAVTR-UHFFFAOYSA-N 0 0 438.459 2.858 50 0 IFAARN CN(CC(=O)Nc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000012806504 522501657 /nfs/dbraw/zinc/50/16/57/522501657.db2.gz VUUPBZYSKFYUIT-UHFFFAOYSA-N 0 0 427.935 2.553 50 0 IFAARN COc1cc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)ccc1O ZINC000012324546 522502246 /nfs/dbraw/zinc/50/22/46/522502246.db2.gz GXVAJAIFPVYFQD-XMSQKQJNSA-N 0 0 426.494 2.645 50 0 IFAARN COc1cc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)ccc1O ZINC000012324547 522502362 /nfs/dbraw/zinc/50/23/62/522502362.db2.gz GXVAJAIFPVYFQD-PGRDOPGGSA-N 0 0 426.494 2.645 50 0 IFAARN CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020486948 522503292 /nfs/dbraw/zinc/50/32/92/522503292.db2.gz ZWAJTXXXSDVDHT-UHFFFAOYSA-N 0 0 435.933 2.853 50 0 IFAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000012763186 522506148 /nfs/dbraw/zinc/50/61/48/522506148.db2.gz HVXMRCCDHAZLPH-UHFFFAOYSA-N 0 0 430.404 2.524 50 0 IFAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cccc2nsnc21 ZINC000019109565 522509260 /nfs/dbraw/zinc/50/92/60/522509260.db2.gz WXWCYMDCERWCNR-UHFFFAOYSA-N 0 0 446.432 2.849 50 0 IFAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012774472 522510524 /nfs/dbraw/zinc/51/05/24/522510524.db2.gz KXBCUQLCJCMXSX-UHFFFAOYSA-N 0 0 446.403 2.616 50 0 IFAARN CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000012751324 522512976 /nfs/dbraw/zinc/51/29/76/522512976.db2.gz MHMBGBJCEIONDF-UHFFFAOYSA-N 0 0 432.927 2.694 50 0 IFAARN COc1cc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc(OC)c1 ZINC000020767288 522657307 /nfs/dbraw/zinc/65/73/07/522657307.db2.gz ZMOCSSBKSRFLMI-UHFFFAOYSA-N 0 0 446.935 2.552 50 0 IFAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1C ZINC000021625353 522666184 /nfs/dbraw/zinc/66/61/84/522666184.db2.gz YWJJQDQKQCLVMW-DZGCQCFKSA-N 0 0 441.575 2.648 50 0 IFAARN COc1cc(NC(=O)c2cc(Br)ccc2-n2cnnn2)cc(OC)c1OC ZINC000012323079 522719637 /nfs/dbraw/zinc/71/96/37/522719637.db2.gz BMIVGQAXFYNFTG-UHFFFAOYSA-N 0 0 434.250 2.703 50 0 IFAARN COCC(=O)N(C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc(OC)ccc1OC ZINC000035948632 522720289 /nfs/dbraw/zinc/72/02/89/522720289.db2.gz MPVJRGKFQNGTGK-QGZVFWFLSA-N 0 0 431.514 2.548 50 0 IFAARN COc1cc(OC)c(NC(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)cc1Cl ZINC000020731259 522804980 /nfs/dbraw/zinc/80/49/80/522804980.db2.gz UZJWBKOWCNGSIS-UHFFFAOYSA-N 0 0 433.848 2.723 50 0 IFAARN COc1cc(OC)cc(C(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)c1 ZINC000035586484 522859160 /nfs/dbraw/zinc/85/91/60/522859160.db2.gz QMWXRECAIPGTKM-UHFFFAOYSA-N 0 0 434.499 2.809 50 0 IFAARN COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@@]1(NC(=O)c1cccc(OC)c1)C(F)(F)F ZINC000012402661 522865712 /nfs/dbraw/zinc/86/57/12/522865712.db2.gz OWDOWTDNSPOXBE-HXUWFJFHSA-N 0 0 440.418 2.958 50 0 IFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000020976400 522876115 /nfs/dbraw/zinc/87/61/15/522876115.db2.gz DTFPCDRYFISSNZ-UHFFFAOYSA-N 0 0 443.496 2.823 50 0 IFAARN COC(=O)C1=C(OC(=O)c2ccc(OC)cc2)c2ccccc2S(=O)(=O)N1C(C)C ZINC000020894174 522896500 /nfs/dbraw/zinc/89/65/00/522896500.db2.gz IBMQZNLOHHFCDN-UHFFFAOYSA-N 0 0 431.466 2.807 50 0 IFAARN COCc1c(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)sc2cccc(F)c21 ZINC000012930411 522897322 /nfs/dbraw/zinc/89/73/22/522897322.db2.gz IMROPKDSYZRQPG-UHFFFAOYSA-N 0 0 446.504 2.880 50 0 IFAARN CN(CCOc1ccc(Cl)cc1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000012806823 522903464 /nfs/dbraw/zinc/90/34/64/522903464.db2.gz VPYBPBYFEIPMPA-QFIPXVFZSA-N 0 0 427.888 2.571 50 0 IFAARN COC(=O)C1CCN(C(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)CC1 ZINC000016047504 522910640 /nfs/dbraw/zinc/91/06/40/522910640.db2.gz KDOZBPQEILBVBD-UHFFFAOYSA-N 0 0 432.502 2.750 50 0 IFAARN CN(CCOc1ccccc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 ZINC000020449158 522914392 /nfs/dbraw/zinc/91/43/92/522914392.db2.gz VYQGONVCYLANDZ-OAQYLSRUSA-N 0 0 433.574 2.757 50 0 IFAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc(OC)c1OC ZINC000020568895 522929427 /nfs/dbraw/zinc/92/94/27/522929427.db2.gz GIJXYOBFDBVRFW-IBGZPJMESA-N 0 0 427.526 2.822 50 0 IFAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2cc(C)c(C)cc2N1 ZINC000035480651 522935462 /nfs/dbraw/zinc/93/54/62/522935462.db2.gz HJZWZCISICHKEJ-UHFFFAOYSA-N 0 0 437.452 2.876 50 0 IFAARN COc1cc2c(c3oc(=O)c(CCC(=O)N4CCN(C)CC4)c(C)c13)CCC(C)(C)O2 ZINC000020623213 522994925 /nfs/dbraw/zinc/99/49/25/522994925.db2.gz RZVDCLFGKNQEOY-UHFFFAOYSA-N 0 0 428.529 2.920 50 0 IFAARN COc1cc2c(cc1OC)n(C)c(=O)n(Cc1ccc(C(=O)NCCC(C)C)cc1)c2=O ZINC000035427757 523053895 /nfs/dbraw/zinc/05/38/95/523053895.db2.gz ATVHFOXACQZFMO-UHFFFAOYSA-N 0 0 439.512 2.542 50 0 IFAARN COc1ccc(-c2c3c(cn2-c2ccc(N(C)C)cc2)n(C)c(=O)n(C)c3=O)cc1OC ZINC000020725411 523081810 /nfs/dbraw/zinc/08/18/10/523081810.db2.gz QOHDAFRJOBKOOV-UHFFFAOYSA-N 0 0 434.496 2.778 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)n2)cc1OC ZINC000012911181 523166955 /nfs/dbraw/zinc/16/69/55/523166955.db2.gz CQSAJEVGICUBCS-UHFFFAOYSA-N 0 0 430.486 2.630 50 0 IFAARN CCn1c(CCC(=O)NCCc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000022836412 523177056 /nfs/dbraw/zinc/17/70/56/523177056.db2.gz YVSNHFFEBLBMPJ-UHFFFAOYSA-N 0 0 428.558 2.598 50 0 IFAARN COc1ccc(-c2nc(S[C@H](CC(=O)NCCO)c3ccc(OC)cc3)n[nH]2)cc1 ZINC000012176641 523180678 /nfs/dbraw/zinc/18/06/78/523180678.db2.gz JLOLZLMBFLBQFM-GOSISDBHSA-N 0 0 428.514 2.821 50 0 IFAARN CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000020677228 523191450 /nfs/dbraw/zinc/19/14/50/523191450.db2.gz NJIRDCNPSDEYEI-UHFFFAOYSA-N 0 0 435.528 2.981 50 0 IFAARN COc1ccc(-c2nc(CN(CCO)[C@@H]3CCS(=O)(=O)C3)c(C)o2)c2ccccc12 ZINC000020448637 523199860 /nfs/dbraw/zinc/19/98/60/523199860.db2.gz MGWQNBVBINQJJU-MRXNPFEDSA-N 0 0 430.526 2.793 50 0 IFAARN COCc1nc2c(c(C)nn2-c2cccc(Cl)c2)c(N2CCN(C(=O)C3CC3)CC2)n1 ZINC000036019728 523214653 /nfs/dbraw/zinc/21/46/53/523214653.db2.gz LOYSMLOHIQDIOO-UHFFFAOYSA-N 0 0 440.935 2.982 50 0 IFAARN COc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000012535307 523224700 /nfs/dbraw/zinc/22/47/00/523224700.db2.gz KVFOWPGTKPMRHQ-LJQANCHMSA-N 0 0 432.480 2.789 50 0 IFAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000022915476 523243546 /nfs/dbraw/zinc/24/35/46/523243546.db2.gz VDHGHAGFXKINSI-UHFFFAOYSA-N 0 0 433.556 2.754 50 0 IFAARN COCc1nnc2c3ccccc3nc(N3CCN(C(=O)c4ccccc4OC)[C@@H](C)C3)n12 ZINC000034706790 523254927 /nfs/dbraw/zinc/25/49/27/523254927.db2.gz KQVLQFSGHKMCJX-INIZCTEOSA-N 0 0 446.511 2.783 50 0 IFAARN COc1ccc(-c2noc(C(=O)NCc3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000012371365 523281529 /nfs/dbraw/zinc/28/15/29/523281529.db2.gz HUFCHHFXZTXZTL-UHFFFAOYSA-N 0 0 429.429 2.710 50 0 IFAARN CCn1c2ccccc2n(CCC(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c1=O ZINC000012458954 523282028 /nfs/dbraw/zinc/28/20/28/523282028.db2.gz HXLWAJZKULTKDK-INIZCTEOSA-N 0 0 449.507 2.937 50 0 IFAARN CCn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccccc3C(=O)OC)CC2)c1=O ZINC000033169608 523283794 /nfs/dbraw/zinc/28/37/94/523283794.db2.gz HZMZQOXFLXDTRZ-UHFFFAOYSA-N 0 0 449.511 2.994 50 0 IFAARN CN(Cc1ccc2nccnc2c1)C(=O)CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 ZINC000012150374 523284042 /nfs/dbraw/zinc/28/40/42/523284042.db2.gz OPRGRDHBHYGXER-RUZDIDTESA-N 0 0 446.507 2.989 50 0 IFAARN CN(Cc1ccc2nccnc2c1)C(=O)CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 ZINC000012150375 523285076 /nfs/dbraw/zinc/28/50/76/523285076.db2.gz OPRGRDHBHYGXER-VWLOTQADSA-N 0 0 446.507 2.989 50 0 IFAARN COCCCN1C(=O)C[C@@](CC(=O)N2CCOc3ccccc3C2)(c2ccccc2)C1=O ZINC000012451911 523287443 /nfs/dbraw/zinc/28/74/43/523287443.db2.gz YFJXRYCDGKVLLH-VWLOTQADSA-N 0 0 436.508 2.531 50 0 IFAARN CCn1cc(/C=C(\NC(=O)c2ccc(OC)c(OC)c2)C(=O)NCCO)c2ccccc21 ZINC000020439133 523302960 /nfs/dbraw/zinc/30/29/60/523302960.db2.gz ISZQIZFNHHSYJI-UYRXBGFRSA-N 0 0 437.496 2.558 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1ccc(OC)cc1OC ZINC000036060081 523354679 /nfs/dbraw/zinc/35/46/79/523354679.db2.gz WSTDOACQTZNICO-ZWKOTPCHSA-N 0 0 432.542 2.774 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2F)C[C@@H]1c1ccc(OC)cc1OC ZINC000036060109 523360843 /nfs/dbraw/zinc/36/08/43/523360843.db2.gz POZAYHLSMVIWTJ-UXHICEINSA-N 0 0 444.503 2.851 50 0 IFAARN COCCCNC(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C1CC1 ZINC000012131297 523370398 /nfs/dbraw/zinc/37/03/98/523370398.db2.gz DUZDZWWQYBAEPP-UHFFFAOYSA-N 0 0 437.500 2.990 50 0 IFAARN COc1ccc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000012803045 523387232 /nfs/dbraw/zinc/38/72/32/523387232.db2.gz DLLUJSAZWMCOFB-VMSUTVGLSA-N 0 0 442.537 2.707 50 0 IFAARN COC(=O)Cn1c(=O)c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000012752064 523390495 /nfs/dbraw/zinc/39/04/95/523390495.db2.gz AEMYORWDUJLVDP-LLVKDONJSA-N 0 0 433.436 2.967 50 0 IFAARN COc1ccc(/C=C/C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)cc1 ZINC000012780486 523390880 /nfs/dbraw/zinc/39/08/80/523390880.db2.gz GOEUNOOEYPGXIV-LTSKSLEPSA-N 0 0 426.513 2.915 50 0 IFAARN CN(Cc1ccco1)C(=O)COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000021239953 523426483 /nfs/dbraw/zinc/42/64/83/523426483.db2.gz WMYHLQQBIBUVRL-UHFFFAOYSA-N 0 0 431.448 2.853 50 0 IFAARN COc1ccc(/C=C\C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(OC)c1 ZINC000033530826 523432514 /nfs/dbraw/zinc/43/25/14/523432514.db2.gz WONBIXCGJGWQHO-NTMALXAHSA-N 0 0 444.509 2.938 50 0 IFAARN COc1ccc(Br)c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000012632029 523478688 /nfs/dbraw/zinc/47/86/88/523478688.db2.gz HEBNNMPMDAKLDT-UHFFFAOYSA-N 0 0 445.360 2.666 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccc(C)c(C)c1 ZINC000021713674 523486472 /nfs/dbraw/zinc/48/64/72/523486472.db2.gz PBLOIWGOXUOZSY-UHFFFAOYSA-N 0 0 449.486 2.823 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc2c(c1)CCC2 ZINC000021713786 523486989 /nfs/dbraw/zinc/48/69/89/523486989.db2.gz LGDLOJXCGLPZGS-UHFFFAOYSA-N 0 0 443.507 2.555 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccc(C)cc1)c(=O)n2CC(=O)Nc1ccc(C)cc1 ZINC000021713800 523487360 /nfs/dbraw/zinc/48/73/60/523487360.db2.gz QRFRINQVVMMYFD-UHFFFAOYSA-N 0 0 431.496 2.683 50 0 IFAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccn4)CC3)ccc21 ZINC000021053704 523494632 /nfs/dbraw/zinc/49/46/32/523494632.db2.gz PJEIPQQOWWTEIN-UHFFFAOYSA-N 0 0 426.542 2.773 50 0 IFAARN COCCCn1c(C)cc(C(=O)CSc2nnc(N3CCOCC3)n2C2CC2)c1C ZINC000022239435 523499911 /nfs/dbraw/zinc/49/99/11/523499911.db2.gz DEEHUDZVVBVSJR-UHFFFAOYSA-N 0 0 433.578 2.879 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 ZINC000041157318 523574855 /nfs/dbraw/zinc/57/48/55/523574855.db2.gz XEQGSKCIDKSXGV-WOJBJXKFSA-N 0 0 428.554 2.747 50 0 IFAARN COc1ccc(C(=O)CSc2nc(N)c(NC(=O)c3ccc(F)c(F)c3)c(=O)[nH]2)cc1 ZINC000012140426 523589733 /nfs/dbraw/zinc/58/97/33/523589733.db2.gz YDLMIDSXVDWPEZ-UHFFFAOYSA-N 0 0 446.435 2.866 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCCC4)C3)c(C)cc2NC1=O ZINC000035396680 523604702 /nfs/dbraw/zinc/60/47/02/523604702.db2.gz QNQAGBXYRUUOQI-WMZOPIPTSA-N 0 0 449.573 2.518 50 0 IFAARN COc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020605139 523627449 /nfs/dbraw/zinc/62/74/49/523627449.db2.gz SZRHJSSGQFCIID-UHFFFAOYSA-N 0 0 430.526 2.657 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F)C(=O)COC ZINC000035946701 523651219 /nfs/dbraw/zinc/65/12/19/523651219.db2.gz DMFCOEHHXVKQEH-NRFANRHFSA-N 0 0 445.466 2.764 50 0 IFAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)COC ZINC000035961586 523653009 /nfs/dbraw/zinc/65/30/09/523653009.db2.gz TUHQALUMRDBBDE-SFHVURJKSA-N 0 0 433.505 2.686 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2)C(C)=O ZINC000035948674 523654901 /nfs/dbraw/zinc/65/49/01/523654901.db2.gz YFOIQHIYBAROGX-KRWDZBQOSA-N 0 0 429.498 2.649 50 0 IFAARN CN(c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1)S(=O)(=O)c1ccccc1 ZINC000021931560 523660834 /nfs/dbraw/zinc/66/08/34/523660834.db2.gz MPVIXJICOKNYGY-UHFFFAOYSA-N 0 0 436.537 2.869 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1c(C)cccc1C ZINC000035374296 523670877 /nfs/dbraw/zinc/67/08/77/523670877.db2.gz OTNJVVJBNAMFSG-UHFFFAOYSA-N 0 0 435.484 2.585 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)cc1 ZINC000035373900 523671693 /nfs/dbraw/zinc/67/16/93/523671693.db2.gz AFKYOEHWSNFSCF-UHFFFAOYSA-N 0 0 445.523 2.878 50 0 IFAARN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cccc(Cl)c2)CC3)cc1 ZINC000012330673 523704126 /nfs/dbraw/zinc/70/41/26/523704126.db2.gz AZMPNRGGDQLRDV-UHFFFAOYSA-N 0 0 439.947 2.971 50 0 IFAARN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(F)cc2F)CC3)cc1 ZINC000020780468 523704200 /nfs/dbraw/zinc/70/42/00/523704200.db2.gz RWLQRZBQDNQHAC-UHFFFAOYSA-N 0 0 441.482 2.596 50 0 IFAARN COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1CN1CC(=O)N2CCC[C@@H]2C1=O ZINC000021527303 523714434 /nfs/dbraw/zinc/71/44/34/523714434.db2.gz JBXHGRNIBHZYJA-LJQANCHMSA-N 0 0 441.915 2.612 50 0 IFAARN CN1C(=O)c2cc(C(=O)Nc3ccc(F)cc3F)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021874676 523731809 /nfs/dbraw/zinc/73/18/09/523731809.db2.gz OXPPSMYOPDPWGU-QFIPXVFZSA-N 0 0 445.470 2.707 50 0 IFAARN CC[C@H](C(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1)c1ccccc1 ZINC000023141840 523762441 /nfs/dbraw/zinc/76/24/41/523762441.db2.gz ZNLNZQOKGPDFEY-KRWDZBQOSA-N 0 0 447.630 2.997 50 0 IFAARN CC[C@H](C(=O)NCCCN1CCOCC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020467045 523774165 /nfs/dbraw/zinc/77/41/65/523774165.db2.gz AEFSPJYKVTVTCU-QGZVFWFLSA-N 0 0 428.558 2.709 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000012884167 523774226 /nfs/dbraw/zinc/77/42/26/523774226.db2.gz MWKIJNIRLAEYRQ-UHFFFAOYSA-N 0 0 439.497 2.642 50 0 IFAARN COc1ccc(C(C)=O)cc1CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000035362790 523791174 /nfs/dbraw/zinc/79/11/74/523791174.db2.gz XDTNHCXJWMGECR-UHFFFAOYSA-N 0 0 443.931 2.877 50 0 IFAARN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000012814042 523807261 /nfs/dbraw/zinc/80/72/61/523807261.db2.gz JNEFCWHHLJGQPM-NRFANRHFSA-N 0 0 437.540 2.609 50 0 IFAARN COc1ccc(C)cc1CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 ZINC000022790320 523810453 /nfs/dbraw/zinc/81/04/53/523810453.db2.gz MZQGDUOQDYHGDH-LJQANCHMSA-N 0 0 436.556 2.885 50 0 IFAARN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000012883447 523824812 /nfs/dbraw/zinc/82/48/12/523824812.db2.gz KKJQVXBQBLQCKZ-UHFFFAOYSA-N 0 0 444.871 2.731 50 0 IFAARN CN(C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)C1CCOCC1 ZINC000012716377 523844657 /nfs/dbraw/zinc/84/46/57/523844657.db2.gz SDHCPLQXLROUMX-QHCPKHFHSA-N 0 0 437.540 2.807 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)NCCNC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000021682724 523849618 /nfs/dbraw/zinc/84/96/18/523849618.db2.gz RBBWVSVHRZATEX-UHFFFAOYSA-N 0 0 447.557 2.697 50 0 IFAARN CC[C@H](C)CN1C(=O)[C@H](C)NC12CCN(S(=O)(=O)c1cccc3cccnc31)CC2 ZINC000036027219 523878795 /nfs/dbraw/zinc/87/87/95/523878795.db2.gz STBPXBFDRJURCT-IRXDYDNUSA-N 0 0 430.574 2.582 50 0 IFAARN COC(=O)[C@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1F ZINC000020716372 523881914 /nfs/dbraw/zinc/88/19/14/523881914.db2.gz VSTHLZSUYUJKEL-BJOHPYRUSA-N 0 0 425.258 2.530 50 0 IFAARN COCCNC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2cc(C)ccc2C)on1 ZINC000036015490 523890545 /nfs/dbraw/zinc/89/05/45/523890545.db2.gz WMNKECJIKZQIKP-SFHVURJKSA-N 0 0 429.517 2.732 50 0 IFAARN COCCNC(=O)CN1CCN(Cc2cc(C)n(CCc3ccc(Cl)cc3)c2C)CC1 ZINC000022791495 523893103 /nfs/dbraw/zinc/89/31/03/523893103.db2.gz FOBCWKILPZCDFS-UHFFFAOYSA-N 0 0 447.023 2.881 50 0 IFAARN COc1ccc(CC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)c(OC)c1 ZINC000012761845 523894943 /nfs/dbraw/zinc/89/49/43/523894943.db2.gz CKWBPENQXJTEPD-UHFFFAOYSA-N 0 0 436.512 2.949 50 0 IFAARN COCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000021661934 523911754 /nfs/dbraw/zinc/91/17/54/523911754.db2.gz FFLCHYZRTQZCHW-IBGZPJMESA-N 0 0 429.904 2.960 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(SCCCC(=O)c3ccc(F)cc3)nc2)CC1 ZINC000012609469 523914279 /nfs/dbraw/zinc/91/42/79/523914279.db2.gz KORKQBZUISNDDJ-UHFFFAOYSA-N 0 0 437.562 2.912 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)CC1 ZINC000035982197 523914741 /nfs/dbraw/zinc/91/47/41/523914741.db2.gz FBMKXTHAWTXPIB-UHFFFAOYSA-N 0 0 438.347 2.638 50 0 IFAARN COCCNC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1c1cccc(OC)c1OC ZINC000036054253 523920256 /nfs/dbraw/zinc/92/02/56/523920256.db2.gz YMDQZMLWYCZGOT-OALUTQOASA-N 0 0 446.931 2.976 50 0 IFAARN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(COC)o2)CC1 ZINC000012592878 523926167 /nfs/dbraw/zinc/92/61/67/523926167.db2.gz CLZCVANUXJNRDZ-UHFFFAOYSA-N 0 0 432.517 2.854 50 0 IFAARN COC(=O)[C@H]1CCCCN1C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccccc2)c1=O ZINC000012572670 523946954 /nfs/dbraw/zinc/94/69/54/523946954.db2.gz BBGVCWGGFPFAAC-HXUWFJFHSA-N 0 0 439.512 2.527 50 0 IFAARN CCc1ccc(Cl)c(CC)c1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012733079 523952555 /nfs/dbraw/zinc/95/25/55/523952555.db2.gz OIROORXWODPTAW-ZDUSSCGKSA-N 0 0 425.938 2.569 50 0 IFAARN COc1ccc(CCNC(=O)CCn2cnc3c4cc(C)ccc4[nH]c3c2=O)cc1OC ZINC000035423952 523957393 /nfs/dbraw/zinc/95/73/93/523957393.db2.gz BKIBRRODQRPCER-UHFFFAOYSA-N 0 0 434.496 2.952 50 0 IFAARN COc1ccc(CCNC(=O)CNC(=O)N2CCc3c4ccccc4[nH]c3C2)cc1OC ZINC000012296987 523958923 /nfs/dbraw/zinc/95/89/23/523958923.db2.gz CRQNESVLZZWBEL-UHFFFAOYSA-N 0 0 436.512 2.612 50 0 IFAARN COc1ccc(CCNC(=O)C[C@H](C(=O)N2CCc3ccccc32)n2ccnc2)cc1OC ZINC000020682900 523959846 /nfs/dbraw/zinc/95/98/46/523959846.db2.gz YRZUCDISBLZUCY-OAQYLSRUSA-N 0 0 448.523 2.780 50 0 IFAARN CO[C@H]1CCCN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)C1 ZINC000012150532 523969387 /nfs/dbraw/zinc/96/93/87/523969387.db2.gz CKQWAJMSWBLIBI-UWJYYQICSA-N 0 0 438.446 2.892 50 0 IFAARN CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](CC)O3)cc1 ZINC000035453065 523971945 /nfs/dbraw/zinc/97/19/45/523971945.db2.gz SGRRYLOKKDHGIE-GOSISDBHSA-N 0 0 445.541 2.926 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc(C(=O)Nc3nccs3)o2)cc1OC ZINC000035597488 523975920 /nfs/dbraw/zinc/97/59/20/523975920.db2.gz KCIPFAULBBZZFH-UHFFFAOYSA-N 0 0 437.499 2.527 50 0 IFAARN CCc1ccc(NC(=O)Cn2nc3c4sc(N5CCCCC5)nc4ncn3c2=O)cc1 ZINC000033309299 523977415 /nfs/dbraw/zinc/97/74/15/523977415.db2.gz GADGSRNMFVKGEW-UHFFFAOYSA-N 0 0 437.529 2.692 50 0 IFAARN CCc1ccc(NC(=O)Cn2c3cn(CC)nc3c(=O)n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000021713798 523977509 /nfs/dbraw/zinc/97/75/09/523977509.db2.gz IOXPCOYBOXKXEW-UHFFFAOYSA-N 0 0 445.523 2.937 50 0 IFAARN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)cc1 ZINC000059749709 524004920 /nfs/dbraw/zinc/00/49/20/524004920.db2.gz RHJORXGGORQXGH-INIZCTEOSA-N 0 0 438.594 2.876 50 0 IFAARN CN(C)C(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000012796777 524023144 /nfs/dbraw/zinc/02/31/44/524023144.db2.gz SJUMZCNXYGSMIA-UHFFFAOYSA-N 0 0 425.510 2.849 50 0 IFAARN CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)cc1 ZINC000014370504 524023301 /nfs/dbraw/zinc/02/33/01/524023301.db2.gz VDUFMFCMLSOXLK-HSZRJFAPSA-N 0 0 434.452 2.540 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cc(F)ccc2C)c(C)c1C ZINC000012571179 524034825 /nfs/dbraw/zinc/03/48/25/524034825.db2.gz XSLXVMCGLHNQMN-OAQYLSRUSA-N 0 0 427.520 2.766 50 0 IFAARN C=C1C(NCC(=O)NCc2ccc(OC)cc2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000021163166 524052079 /nfs/dbraw/zinc/05/20/79/524052079.db2.gz PYLBRZHPGVOHSC-UHFFFAOYSA-N 0 0 427.526 2.691 50 0 IFAARN COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000012782606 524057623 /nfs/dbraw/zinc/05/76/23/524057623.db2.gz TXCIYUMIYRFWMH-UHFFFAOYSA-N 0 0 429.951 2.626 50 0 IFAARN CCc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1 ZINC000012867146 524059925 /nfs/dbraw/zinc/05/99/25/524059925.db2.gz IHOHBENAQOWMNM-UHFFFAOYSA-N 0 0 447.538 2.889 50 0 IFAARN CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@@H](C)O2 ZINC000035452756 524062659 /nfs/dbraw/zinc/06/26/59/524062659.db2.gz OJEGHJCPSURKTA-OAHLLOKOSA-N 0 0 445.541 2.844 50 0 IFAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(C)cc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000035477339 524063631 /nfs/dbraw/zinc/06/36/31/524063631.db2.gz MTBCXQNSTDIHHV-XMMPIXPASA-N 0 0 434.496 2.944 50 0 IFAARN COc1ccc(CNc2nc(N3CCN(C(=O)c4ccco4)CC3)nc3c2cnn3C)cc1 ZINC000021929422 524105514 /nfs/dbraw/zinc/10/55/14/524105514.db2.gz HVUNEYPDQHBIQR-UHFFFAOYSA-N 0 0 447.499 2.539 50 0 IFAARN Cc1cccc(-n2nnnc2SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1 ZINC000021178169 524148481 /nfs/dbraw/zinc/14/84/81/524148481.db2.gz KHXIHUUTRHNWFV-UHFFFAOYSA-N 0 0 430.921 2.813 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012929975 524164640 /nfs/dbraw/zinc/16/46/40/524164640.db2.gz RQWXBGHHDXEWOU-RDTXWAMCSA-N 0 0 448.416 2.995 50 0 IFAARN C[C@@H](C(=O)NC1CCCCCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012732647 524169170 /nfs/dbraw/zinc/16/91/70/524169170.db2.gz SEDOZXMVIAROFR-INIZCTEOSA-N 0 0 427.998 2.874 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)c1 ZINC000012506767 524188214 /nfs/dbraw/zinc/18/82/14/524188214.db2.gz VRDGEBHNURMTRQ-UHFFFAOYSA-N 0 0 444.582 2.805 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NCCOc3ccccc3F)CC2)c1 ZINC000012863293 524188432 /nfs/dbraw/zinc/18/84/32/524188432.db2.gz HMSBJPLCJHFQPI-UHFFFAOYSA-N 0 0 435.521 2.537 50 0 IFAARN Cc1cccc(C(=O)NCCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000012761160 524190161 /nfs/dbraw/zinc/19/01/61/524190161.db2.gz ABFMUDGSABRZFA-UHFFFAOYSA-N 0 0 436.556 2.515 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)c1 ZINC000012604523 524194044 /nfs/dbraw/zinc/19/40/44/524194044.db2.gz JRMKHTOXHSPRRD-UHFFFAOYSA-N 0 0 445.585 2.945 50 0 IFAARN Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C(C)C)c1 ZINC000012109604 524208027 /nfs/dbraw/zinc/20/80/27/524208027.db2.gz WMKIQJNNEMXLOK-FQEVSTJZSA-N 0 0 429.542 2.829 50 0 IFAARN C[C@@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCc3c[nH]c4ccccc34)s2)C1 ZINC000035377858 524250899 /nfs/dbraw/zinc/25/08/99/524250899.db2.gz PGYQPJITMCIUHJ-CQSZACIVSA-N 0 0 436.541 2.841 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012860820 524252048 /nfs/dbraw/zinc/25/20/48/524252048.db2.gz FVVGDFGRLSGNAU-MGPUTAFESA-N 0 0 429.904 2.651 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012867720 524252080 /nfs/dbraw/zinc/25/20/80/524252080.db2.gz KJNHTFQCNLRVHS-HNNXBMFYSA-N 0 0 439.940 2.954 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012855127 524256143 /nfs/dbraw/zinc/25/61/43/524256143.db2.gz BPGXXZDAIQEJRP-HNNXBMFYSA-N 0 0 439.940 2.954 50 0 IFAARN Cc1cc(C)c(CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c(=O)[nH]1 ZINC000012779600 524262408 /nfs/dbraw/zinc/26/24/08/524262408.db2.gz JUTYVZFGZHZVRT-UHFFFAOYSA-N 0 0 446.345 2.923 50 0 IFAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012795366 524262979 /nfs/dbraw/zinc/26/29/79/524262979.db2.gz ZMELIPNNXNVEGI-HNNXBMFYSA-N 0 0 425.485 2.841 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012759126 524269059 /nfs/dbraw/zinc/26/90/59/524269059.db2.gz BRLJTWKKPLSIRL-INIZCTEOSA-N 0 0 431.533 2.648 50 0 IFAARN Cc1ccc(CCC2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)CC2)cc1 ZINC000012810522 524305431 /nfs/dbraw/zinc/30/54/31/524305431.db2.gz SJTJZKAPDMZRJT-UHFFFAOYSA-N 0 0 427.526 2.558 50 0 IFAARN COc1ccc(F)cc1CN1CCN(Cc2nc(N)nc(Nc3ccccc3C)n2)CC1 ZINC000022786422 524310329 /nfs/dbraw/zinc/31/03/29/524310329.db2.gz JPAOYFQHOYXNNL-UHFFFAOYSA-N 0 0 437.523 2.971 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c(C)c1 ZINC000012796698 524318028 /nfs/dbraw/zinc/31/80/28/524318028.db2.gz RUMKYZYHJUCKBT-SFHVURJKSA-N 0 0 430.526 2.810 50 0 IFAARN Cc1ccc(CCNC(=O)Cn2c3cccnc3n(Cc3ccc(C)cc3)c(=O)c2=O)cc1 ZINC000035450331 524325693 /nfs/dbraw/zinc/32/56/93/524325693.db2.gz VGHVPRDGYDJVLS-UHFFFAOYSA-N 0 0 442.519 2.582 50 0 IFAARN COc1ccccc1C(=O)COC(=O)[C@@H](CCSC)NC(=O)COc1ccccc1 ZINC000012911467 524337729 /nfs/dbraw/zinc/33/77/29/524337729.db2.gz ASPHGRBXDJJSMD-GOSISDBHSA-N 0 0 431.510 2.738 50 0 IFAARN C[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)NC(=O)c1ccccc1 ZINC000012768606 524355817 /nfs/dbraw/zinc/35/58/17/524355817.db2.gz MTLJJEMXCGLIBZ-KRWDZBQOSA-N 0 0 442.947 2.631 50 0 IFAARN Cc1cc(C)cc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000020928012 524412128 /nfs/dbraw/zinc/41/21/28/524412128.db2.gz RUFSMOPGUVWYGK-JOCHJYFZSA-N 0 0 435.590 2.509 50 0 IFAARN Cc1cccc(CNC(=O)C2CCN(c3nn4c(nc5c(c4=O)CCCC5)s3)CC2)c1 ZINC000021664130 524414386 /nfs/dbraw/zinc/41/43/86/524414386.db2.gz ZWWQDJYDEPZDLN-UHFFFAOYSA-N 0 0 437.569 2.871 50 0 IFAARN Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)CC2)c1 ZINC000033262134 524416049 /nfs/dbraw/zinc/41/60/49/524416049.db2.gz BMZREQFUJKFAKV-UHFFFAOYSA-N 0 0 428.514 2.695 50 0 IFAARN COc1ccccc1CN1CCN(C(=O)[C@H]2CCc3nc(N4CCCCC4)ncc3C2)CC1 ZINC000065289463 524451316 /nfs/dbraw/zinc/45/13/16/524451316.db2.gz ARNHKGBAZDGFDD-FQEVSTJZSA-N 0 0 449.599 2.925 50 0 IFAARN Cc1ccc(CN2CCN(C3CCN(C(=O)NCCc4ccccc4)CC3)C(=O)C2=O)cc1 ZINC000035451682 524454388 /nfs/dbraw/zinc/45/43/88/524454388.db2.gz ADVVBSCAEVFUEB-UHFFFAOYSA-N 0 0 448.567 2.583 50 0 IFAARN Cc1cc(C)cc(S(=O)(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)c1 ZINC000033037714 524457596 /nfs/dbraw/zinc/45/75/96/524457596.db2.gz WREYNVNEOHVLDB-UHFFFAOYSA-N 0 0 438.553 2.750 50 0 IFAARN Cc1ccc(CN2C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4Cl)CC3)CC2=O)cc1 ZINC000016695077 524477409 /nfs/dbraw/zinc/47/74/09/524477409.db2.gz SUIJCACNBZHWGM-IBGZPJMESA-N 0 0 439.943 2.982 50 0 IFAARN Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccc(C(F)(F)F)cc3)ncn2)n1 ZINC000035597319 524477546 /nfs/dbraw/zinc/47/75/46/524477546.db2.gz TXSQOHIRMLGFHO-UHFFFAOYSA-N 0 0 440.451 2.688 50 0 IFAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cc2)n1 ZINC000012782898 524479444 /nfs/dbraw/zinc/47/94/44/524479444.db2.gz LFGZVWDUDYKXQN-HSZRJFAPSA-N 0 0 446.507 2.614 50 0 IFAARN Cc1ccc(CN2C[C@H](C(=O)N3CCN(C(=O)c4ccccc4Cl)CC3)CC2=O)cc1 ZINC000016695078 524480515 /nfs/dbraw/zinc/48/05/15/524480515.db2.gz SUIJCACNBZHWGM-LJQANCHMSA-N 0 0 439.943 2.982 50 0 IFAARN COc1ccc(NC(=O)CCNC(C)=O)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000022617543 524480833 /nfs/dbraw/zinc/48/08/33/524480833.db2.gz KTTLHUKFXCBYQR-UHFFFAOYSA-N 0 0 425.894 2.614 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n3C)n2C)n1 ZINC000012231387 524499486 /nfs/dbraw/zinc/49/94/86/524499486.db2.gz ZEPHCVHJOSKPDM-UHFFFAOYSA-N 0 0 433.299 2.591 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2CC(C)C)n1 ZINC000012231629 524500491 /nfs/dbraw/zinc/50/04/91/524500491.db2.gz VLNFOYWFMWJXNW-UHFFFAOYSA-N 0 0 434.544 2.988 50 0 IFAARN COc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cn1 ZINC000017296651 524502342 /nfs/dbraw/zinc/50/23/42/524502342.db2.gz SIGGDGSESMUGCS-UHFFFAOYSA-N 0 0 433.511 2.994 50 0 IFAARN COc1ccc(NC(=O)CSc2cc(N3CCC(C(=O)NC4CC4)CC3)ncn2)cc1 ZINC000033312070 524505382 /nfs/dbraw/zinc/50/53/82/524505382.db2.gz XTWFTIKRTWEQNG-UHFFFAOYSA-N 0 0 441.557 2.711 50 0 IFAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3OC)nc3cc(=O)[nH]n32)cc1 ZINC000021537276 524507457 /nfs/dbraw/zinc/50/74/57/524507457.db2.gz IGUZVZSSTSDTRF-UHFFFAOYSA-N 0 0 437.481 2.833 50 0 IFAARN Cc1ccc(CNC(=O)Cn2c3cccnc3n(Cc3ccc(C)cc3)c(=O)c2=O)cc1 ZINC000035450290 524514374 /nfs/dbraw/zinc/51/43/74/524514374.db2.gz IKXPOHVGHKQWRD-UHFFFAOYSA-N 0 0 428.492 2.540 50 0 IFAARN COc1ccc(NC(=O)Cn2c3nc(C4CCCCC4)nn3c(=O)cc2C)c(OC)c1 ZINC000021803120 524529334 /nfs/dbraw/zinc/52/93/34/524529334.db2.gz ONSULQDEUYLMCU-UHFFFAOYSA-N 0 0 425.489 2.903 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]2C)c1 ZINC000020616813 524543104 /nfs/dbraw/zinc/54/31/04/524543104.db2.gz FQUVMAYGIZJFBL-IBGZPJMESA-N 0 0 434.540 2.906 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)CC1 ZINC000035512844 524560237 /nfs/dbraw/zinc/56/02/37/524560237.db2.gz USWLIXNOPLSSTN-UHFFFAOYSA-N 0 0 443.569 2.850 50 0 IFAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)c1C ZINC000035452550 524589962 /nfs/dbraw/zinc/58/99/62/524589962.db2.gz RONUHLGBLNDWQD-OAHLLOKOSA-N 0 0 431.514 2.590 50 0 IFAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(CC(=O)N(C)C)CC2)cc1Cl ZINC000022784056 524591737 /nfs/dbraw/zinc/59/17/37/524591737.db2.gz IASRAKAAOBIBPJ-JOCHJYFZSA-N 0 0 444.963 2.734 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)c1C ZINC000012781947 524596794 /nfs/dbraw/zinc/59/67/94/524596794.db2.gz MDDRYIGTCXQNCY-UHFFFAOYSA-N 0 0 441.509 2.743 50 0 IFAARN COc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C(C)C)c(OC)c1 ZINC000041098161 524609548 /nfs/dbraw/zinc/60/95/48/524609548.db2.gz OPTKGLZSULSDDV-OPAMFIHVSA-N 0 0 439.512 2.836 50 0 IFAARN COc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000033040042 524620304 /nfs/dbraw/zinc/62/03/04/524620304.db2.gz CDLMWIDPEDSMAM-CYBMUJFWSA-N 0 0 443.978 2.744 50 0 IFAARN COc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1OC ZINC000015858441 524634629 /nfs/dbraw/zinc/63/46/29/524634629.db2.gz HOBDVBCTAHQMLB-NSHDSACASA-N 0 0 438.889 2.922 50 0 IFAARN COc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)NC[C@H]4CCCO4)C3)s2)cc1 ZINC000033113154 524660689 /nfs/dbraw/zinc/66/06/89/524660689.db2.gz ALBFXMBTMCCEAN-WMLDXEAASA-N 0 0 445.545 2.867 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(C)cc2Br)cc1NS(C)(=O)=O ZINC000012525986 524692484 /nfs/dbraw/zinc/69/24/84/524692484.db2.gz YEJDNHSLXIMXAM-UHFFFAOYSA-N 0 0 449.348 2.938 50 0 IFAARN Cc1cccc(Nc2nnc(SCCCn3c(=O)c4c(ncn4C)n(C)c3=O)s2)c1 ZINC000012525692 524704208 /nfs/dbraw/zinc/70/42/08/524704208.db2.gz HONCJLDSVNFULO-UHFFFAOYSA-N 0 0 443.558 2.520 50 0 IFAARN Cc1cccc(OC2CCN(C(=O)[C@H]3CCC(=O)N(CCCN4CCCC4=O)C3)CC2)c1 ZINC000012587629 524709851 /nfs/dbraw/zinc/70/98/51/524709851.db2.gz INCCOXJIIGHMNZ-FQEVSTJZSA-N 0 0 441.572 2.616 50 0 IFAARN Cc1ccc(Cn2c3nn(Cc4cc(C)ccc4C)c(=O)n3c3cn(C)nc3c2=O)cc1 ZINC000033280876 524770931 /nfs/dbraw/zinc/77/09/31/524770931.db2.gz KJFUALKYOUWSBC-UHFFFAOYSA-N 0 0 428.496 2.566 50 0 IFAARN COc1ccccc1[C@H](C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012897133 524772154 /nfs/dbraw/zinc/77/21/54/524772154.db2.gz NHTXSFNQTYRIRI-IBGZPJMESA-N 0 0 445.585 2.577 50 0 IFAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)[C@H](C)NC(C)=O)C3)c1 ZINC000012218773 524791374 /nfs/dbraw/zinc/79/13/74/524791374.db2.gz SLTYYOOKVYXRNA-YVEFUNNKSA-N 0 0 432.904 2.969 50 0 IFAARN COc1ccccc1[C@H]1NC(=O)N(C)C2=C1C(=O)N(CCC(=O)Nc1ccc(C)cc1)C2 ZINC000034793233 524816381 /nfs/dbraw/zinc/81/63/81/524816381.db2.gz YZNGNZKHPUGORX-JOCHJYFZSA-N 0 0 434.496 2.825 50 0 IFAARN COc1ccccc1[C@H]1c2c(=O)n(C)c(=O)n(C)c2NC(C)=C1C(=O)OCc1ccccc1 ZINC000035550002 524819575 /nfs/dbraw/zinc/81/95/75/524819575.db2.gz MGZHXBNKVBNLIF-HXUWFJFHSA-N 0 0 447.491 2.667 50 0 IFAARN Cc1ccc(F)cc1CNC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000012092965 524853285 /nfs/dbraw/zinc/85/32/85/524853285.db2.gz IAHCWGGWDNKAJX-UHFFFAOYSA-N 0 0 449.548 2.714 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)c1 ZINC000035531099 524875100 /nfs/dbraw/zinc/87/51/00/524875100.db2.gz GQDLVOQNGPEIFD-UHFFFAOYSA-N 0 0 432.542 2.811 50 0 IFAARN COc1cnc(CSc2ncccn2)cc1OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000015824342 524900668 /nfs/dbraw/zinc/90/06/68/524900668.db2.gz AZMBIDBKIJNXCU-UHFFFAOYSA-N 0 0 440.481 2.596 50 0 IFAARN Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000012539546 524905355 /nfs/dbraw/zinc/90/53/55/524905355.db2.gz HEFVVSIJOFKSOE-UHFFFAOYSA-N 0 0 440.905 2.637 50 0 IFAARN Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)[C@H]2c2cccs2)cc1 ZINC000035436239 524921540 /nfs/dbraw/zinc/92/15/40/524921540.db2.gz LBZQMGCQGBIHNC-NBHGPNQESA-N 0 0 432.567 2.844 50 0 IFAARN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C[C@H](C)O1 ZINC000012772709 524931838 /nfs/dbraw/zinc/93/18/38/524931838.db2.gz ORXBTZAJTMQHQH-GASCZTMLSA-N 0 0 429.970 2.562 50 0 IFAARN COc1ccc(OCC(=O)NCc2cc(=O)n3nc(-c4ccccc4C)sc3n2)cc1 ZINC000041078134 524933224 /nfs/dbraw/zinc/93/32/24/524933224.db2.gz JBELQIPHCRAUTQ-UHFFFAOYSA-N 0 0 436.493 2.830 50 0 IFAARN COc1ccc(OCCCC(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 ZINC000012913895 524942413 /nfs/dbraw/zinc/94/24/13/524942413.db2.gz WXDPQZWQJHODQP-JOCHJYFZSA-N 0 0 440.496 2.507 50 0 IFAARN COc1ccc(OCCN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012796300 524952108 /nfs/dbraw/zinc/95/21/08/524952108.db2.gz ALRXUQUGJPJKKS-UHFFFAOYSA-N 0 0 426.922 2.507 50 0 IFAARN Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)cc1 ZINC000012289048 524958940 /nfs/dbraw/zinc/95/89/40/524958940.db2.gz JYZSKDQUXLWXAP-UHFFFAOYSA-N 0 0 429.480 2.630 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)NC3CCCCCC3)ccc2N1C(=O)C1CC1 ZINC000020516882 524980842 /nfs/dbraw/zinc/98/08/42/524980842.db2.gz GXGMSQIBTDLJEX-INIZCTEOSA-N 0 0 447.601 2.834 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)N(C)C3CCCCC3)ccc2N1C(=O)C1CC1 ZINC000020529767 524980895 /nfs/dbraw/zinc/98/08/95/524980895.db2.gz HQDYNFQLNNEFLL-INIZCTEOSA-N 0 0 447.601 2.834 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)NC3CCCCC3)ccc2N1C(=O)C1CCC1 ZINC000021871200 524981063 /nfs/dbraw/zinc/98/10/63/524981063.db2.gz PTXYJJOQYIHEMX-INIZCTEOSA-N 0 0 447.601 2.834 50 0 IFAARN COc1ccc(Oc2coc3c(ccc4c3CN([C@H]3CCS(=O)(=O)C3)CO4)c2=O)cc1 ZINC000012442559 524994956 /nfs/dbraw/zinc/99/49/56/524994956.db2.gz XSEHWSJBBLOSLQ-AWEZNQCLSA-N 0 0 443.477 2.933 50 0 IFAARN Cc1ccccc1-c1cc2n(n1)CCC(=O)N2CC(=O)N1CCN(c2ccccc2)CC1 ZINC000035374586 525003465 /nfs/dbraw/zinc/00/34/65/525003465.db2.gz FGVQVLFSDHWDAP-UHFFFAOYSA-N 0 0 429.524 2.944 50 0 IFAARN Cc1cc(I)ccc1NC(=O)CN1CCN(Cc2ccco2)CC1 ZINC000022915301 525011230 /nfs/dbraw/zinc/01/12/30/525011230.db2.gz WONQNRWKWPJJSK-UHFFFAOYSA-N 0 0 439.297 2.949 50 0 IFAARN COc1ccc(S(=O)(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cnn(C)c2)cc1 ZINC000020602035 525013136 /nfs/dbraw/zinc/01/31/36/525013136.db2.gz VFNJIYVKRRYUFR-UHFFFAOYSA-N 0 0 445.541 2.880 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3nc4ccccc4o3)CC2)cc1 ZINC000012770782 525017286 /nfs/dbraw/zinc/01/72/86/525017286.db2.gz VHBVZZLWKYVEBW-UHFFFAOYSA-N 0 0 429.498 2.900 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)cc1OC ZINC000035531102 525019516 /nfs/dbraw/zinc/01/95/16/525019516.db2.gz BSEVLYNXGHIFDU-UHFFFAOYSA-N 0 0 432.542 2.811 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1S(=O)(=O)N(C)C ZINC000012680371 525026354 /nfs/dbraw/zinc/02/63/54/525026354.db2.gz QXHMQOLUZHMPQB-UHFFFAOYSA-N 0 0 447.532 2.875 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCCc2ccccc2OC)cc1 ZINC000015391107 525027802 /nfs/dbraw/zinc/02/78/02/525027802.db2.gz JPXCIVNBLNMERB-IBGZPJMESA-N 0 0 446.569 2.996 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCSCc2cccs2)cc1 ZINC000012887600 525032492 /nfs/dbraw/zinc/03/24/92/525032492.db2.gz AJPUGGHMMIZQKM-SFHVURJKSA-N 0 0 440.612 2.959 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000012748929 525044906 /nfs/dbraw/zinc/04/49/06/525044906.db2.gz SOVQHDRHFCLJBW-IYBDPMFKSA-N 0 0 430.526 2.696 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1F ZINC000020487106 525045030 /nfs/dbraw/zinc/04/50/30/525045030.db2.gz ZZEMAHMMTSJKIA-UHFFFAOYSA-N 0 0 433.505 2.647 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)cc1C ZINC000035452700 525045808 /nfs/dbraw/zinc/04/58/08/525045808.db2.gz XAZAODXYKJRIIY-OAHLLOKOSA-N 0 0 431.514 2.590 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1C ZINC000021531830 525045928 /nfs/dbraw/zinc/04/59/28/525045928.db2.gz OFXVGMVMXPBUHA-UHFFFAOYSA-N 0 0 433.555 2.997 50 0 IFAARN Cc1cc(N2CCC(NC(=O)Nc3ccc(Br)cc3)CC2)n2ncnc2n1 ZINC000021785123 525055741 /nfs/dbraw/zinc/05/57/41/525055741.db2.gz VDLYXEVYERMZCY-UHFFFAOYSA-N 0 0 430.310 2.986 50 0 IFAARN Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c(Cl)c1 ZINC000015047693 525059276 /nfs/dbraw/zinc/05/92/76/525059276.db2.gz QHSDFOGUEQCGAK-HXUWFJFHSA-N 0 0 429.904 2.713 50 0 IFAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)cc2NC1=O ZINC000033021465 525063928 /nfs/dbraw/zinc/06/39/28/525063928.db2.gz YDQINIFUDCGCBU-HZPDHXFCSA-N 0 0 449.573 2.646 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000078935828 525068998 /nfs/dbraw/zinc/06/89/98/525068998.db2.gz TXUAGYMMONHGKM-UONOGXRCSA-N 0 0 436.534 2.670 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000022588435 525073417 /nfs/dbraw/zinc/07/34/17/525073417.db2.gz FDDVCPCXYJOIMP-HXUWFJFHSA-N 0 0 433.530 2.985 50 0 IFAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1 ZINC000020643655 525079625 /nfs/dbraw/zinc/07/96/25/525079625.db2.gz SYKMQJYBMCWAAQ-UHFFFAOYSA-N 0 0 438.553 2.768 50 0 IFAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=S)N3CCC4(CC3)OCCO4)cc12 ZINC000020183182 525084943 /nfs/dbraw/zinc/08/49/43/525084943.db2.gz XTCBBEXWAGRUOT-UHFFFAOYSA-N 0 0 428.558 2.916 50 0 IFAARN COc1nn(C)cc1-c1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)n1C ZINC000012422556 525091092 /nfs/dbraw/zinc/09/10/92/525091092.db2.gz ACNBKYHHIIMKAW-UHFFFAOYSA-N 0 0 440.573 2.798 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000012747226 525095989 /nfs/dbraw/zinc/09/59/89/525095989.db2.gz MKEXCQQGZZJVIX-SFHVURJKSA-N 0 0 437.949 2.563 50 0 IFAARN Cc1ccccc1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000012821568 525097034 /nfs/dbraw/zinc/09/70/34/525097034.db2.gz PYRZREYOFNPJRK-UHFFFAOYSA-N 0 0 443.569 2.797 50 0 IFAARN C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2 ZINC000020994607 525121228 /nfs/dbraw/zinc/12/12/28/525121228.db2.gz ZDTBWLNZRHIYHP-MRXNPFEDSA-N 0 0 441.482 2.871 50 0 IFAARN CS(=O)(=O)CC[C@@H](C(=O)N1CC=C(c2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000020531455 525129703 /nfs/dbraw/zinc/12/97/03/525129703.db2.gz QMXPRZYWNAAZPU-QFIPXVFZSA-N 0 0 438.549 2.762 50 0 IFAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC000012847874 525140949 /nfs/dbraw/zinc/14/09/49/525140949.db2.gz OWVZBPRUYHXNEE-UHFFFAOYSA-N 0 0 431.539 2.930 50 0 IFAARN C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccc(S(N)(=O)=O)cc1 ZINC000012629042 525142105 /nfs/dbraw/zinc/14/21/05/525142105.db2.gz XSYVHFGLASSXON-CYBMUJFWSA-N 0 0 441.538 2.685 50 0 IFAARN Cc1cc(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3N3CCCC[C@H]3C2=O)no1 ZINC000035445883 525145139 /nfs/dbraw/zinc/14/51/39/525145139.db2.gz OFGXYTRHQIZNHX-SFHVURJKSA-N 0 0 437.500 2.563 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1F ZINC000001142055 525154325 /nfs/dbraw/zinc/15/43/25/525154325.db2.gz KMGSMJDSWNVOSA-UHFFFAOYSA-N 0 0 445.472 2.753 50 0 IFAARN Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 ZINC000012444293 525162723 /nfs/dbraw/zinc/16/27/23/525162723.db2.gz NBXWJHCGNMJHQI-UHFFFAOYSA-N 0 0 443.442 2.923 50 0 IFAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)C1=O ZINC000015842782 525165824 /nfs/dbraw/zinc/16/58/24/525165824.db2.gz ASIZMWBUGBZPAJ-OAHLLOKOSA-N 0 0 447.944 2.615 50 0 IFAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C(=O)Nc1ccccc1 ZINC000012389100 525173798 /nfs/dbraw/zinc/17/37/98/525173798.db2.gz VDEJMRNGFQHAEX-HOTGVXAUSA-N 0 0 449.960 2.884 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1F ZINC000020994299 525200719 /nfs/dbraw/zinc/20/07/19/525200719.db2.gz FBZWLRDOTGWHEY-CYBMUJFWSA-N 0 0 433.461 2.608 50 0 IFAARN C[C@H](NC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(C)C2=O)c1ccccc1 ZINC000021874782 525203212 /nfs/dbraw/zinc/20/32/12/525203212.db2.gz FSWPTKCTAASWER-UPCLLVRISA-N 0 0 437.544 2.667 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1C ZINC000020994264 525220810 /nfs/dbraw/zinc/22/08/10/525220810.db2.gz WQTZIZVNSIEZMQ-HNNXBMFYSA-N 0 0 429.498 2.777 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)cc1 ZINC000035220037 525221229 /nfs/dbraw/zinc/22/12/29/525221229.db2.gz CWXHKHFGUVDCOK-HOTGVXAUSA-N 0 0 443.525 2.754 50 0 IFAARN Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000020529755 525231995 /nfs/dbraw/zinc/23/19/95/525231995.db2.gz IBPQDERKQJCOMX-INIZCTEOSA-N 0 0 441.553 2.990 50 0 IFAARN Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000020529752 525233276 /nfs/dbraw/zinc/23/32/76/525233276.db2.gz IBPQDERKQJCOMX-MRXNPFEDSA-N 0 0 441.553 2.990 50 0 IFAARN Cc1ccccc1NC(=O)CSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[nH]n21 ZINC000021911172 525240200 /nfs/dbraw/zinc/24/02/00/525240200.db2.gz WTENAUQKZZNAPX-UHFFFAOYSA-N 0 0 435.465 2.853 50 0 IFAARN Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1S(=O)(=O)N1CCCCC1 ZINC000012698227 525240213 /nfs/dbraw/zinc/24/02/13/525240213.db2.gz AJWSWANGLFESGE-UHFFFAOYSA-N 0 0 441.509 2.648 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nc(-c3ccsc3)no2)C1=O ZINC000023881942 525241557 /nfs/dbraw/zinc/24/15/57/525241557.db2.gz BLJVOSPFEPPOPX-OAQYLSRUSA-N 0 0 439.497 2.705 50 0 IFAARN Cc1cc(NC(=O)c2ccc[nH]c2=O)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000012789151 525250448 /nfs/dbraw/zinc/25/04/48/525250448.db2.gz ISKIQOUDYJYZHG-UHFFFAOYSA-N 0 0 425.466 2.591 50 0 IFAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3CO2)cc1 ZINC000263615313 525266262 /nfs/dbraw/zinc/26/62/62/525266262.db2.gz BSTIMGNYFQRKJJ-NRFANRHFSA-N 0 0 437.475 2.660 50 0 IFAARN CS(=O)(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000012747279 525268525 /nfs/dbraw/zinc/26/85/25/525268525.db2.gz LPPKEHISJDQVSL-UHFFFAOYSA-N 0 0 432.523 2.550 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O ZINC000012510343 525318722 /nfs/dbraw/zinc/31/87/22/525318722.db2.gz OKTFBXUXRPZSHV-JOCHJYFZSA-N 0 0 442.903 2.615 50 0 IFAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)C1=O ZINC000012855171 525332720 /nfs/dbraw/zinc/33/27/20/525332720.db2.gz REFBUMJSODLRAT-XMMPIXPASA-N 0 0 434.496 2.718 50 0 IFAARN COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)N2CCOCC2)cc1 ZINC000012818439 525358802 /nfs/dbraw/zinc/35/88/02/525358802.db2.gz IIEDFIJSADTMIZ-QFIPXVFZSA-N 0 0 449.555 2.966 50 0 IFAARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000015912501 525374545 /nfs/dbraw/zinc/37/45/45/525374545.db2.gz PWFVKAHLKALOHC-GASCZTMLSA-N 0 0 442.965 2.786 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)C1 ZINC000020935882 525385012 /nfs/dbraw/zinc/38/50/12/525385012.db2.gz LUAMKNPTIHYURN-OKILXGFUSA-N 0 0 431.489 2.684 50 0 IFAARN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000001076845 525407146 /nfs/dbraw/zinc/40/71/46/525407146.db2.gz BXHWXNBICQWVEF-UHFFFAOYSA-N 0 0 434.514 2.718 50 0 IFAARN COc1ccc([C@H]2N(C(=O)CN3CCCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012867471 525427393 /nfs/dbraw/zinc/42/73/93/525427393.db2.gz GDGQPSDKTDWXQH-QHCPKHFHSA-N 0 0 443.569 2.631 50 0 IFAARN Cc1cc(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)c(C)cc1Br ZINC000040062144 525432928 /nfs/dbraw/zinc/43/29/28/525432928.db2.gz ROJGFKRPTQWYHC-UHFFFAOYSA-N 0 0 435.409 2.698 50 0 IFAARN COc1ccc([C@H]2[C@@H](O)C(c3c[nH]c4ccccc43)=NN2C(=O)Cn2ccsc2=N)cc1 ZINC000012542892 525435027 /nfs/dbraw/zinc/43/50/27/525435027.db2.gz YNKDDXCBKDHISJ-VXKWHMMOSA-N 0 0 447.520 2.868 50 0 IFAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 ZINC000012547780 525445240 /nfs/dbraw/zinc/44/52/40/525445240.db2.gz FTFYSZRXZOVCDD-GYCJOSAFSA-N 0 0 447.495 2.525 50 0 IFAARN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000020726094 525447399 /nfs/dbraw/zinc/44/73/99/525447399.db2.gz SVLVSWGCULQKJA-IFMALSPDSA-N 0 0 435.480 2.586 50 0 IFAARN Cc1ccc(Oc2ccc(NC(=O)CN3CCN(CC(=O)N4CCCC4)CC3)cc2)cc1 ZINC000022797014 525475000 /nfs/dbraw/zinc/47/50/00/525475000.db2.gz QRZPLBMDFHXKMA-UHFFFAOYSA-N 0 0 436.556 2.966 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(-c2cc(C)ccc2C)c1=O ZINC000020611477 525484976 /nfs/dbraw/zinc/48/49/76/525484976.db2.gz DYJMVMDMLFIWED-NRFANRHFSA-N 0 0 432.480 2.573 50 0 IFAARN COc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc(=O)oc2c1 ZINC000033361116 525501544 /nfs/dbraw/zinc/50/15/44/525501544.db2.gz TTXPSNRXQGZMKB-UHFFFAOYSA-N 0 0 428.510 2.617 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2cccc(Cl)c2C)cc1 ZINC000022238506 525503972 /nfs/dbraw/zinc/50/39/72/525503972.db2.gz MWKSJJJCZDXULZ-UHFFFAOYSA-N 0 0 435.977 2.926 50 0 IFAARN Cc1c(-c2ccccc2)sc(NC(=O)C2=NN(C)C(=O)CC2)c1C(=O)N1CCOCC1 ZINC000012884676 525508318 /nfs/dbraw/zinc/50/83/18/525508318.db2.gz UWOCXAAKHPDKCX-UHFFFAOYSA-N 0 0 440.525 2.743 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000035531307 525520345 /nfs/dbraw/zinc/52/03/45/525520345.db2.gz UEAXQMVSBMTNQA-UHFFFAOYSA-N 0 0 430.526 2.831 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCCC[C@H]3C)CC2)cc1C ZINC000012825685 525520417 /nfs/dbraw/zinc/52/04/17/525520417.db2.gz DZORHUYXYGORGS-GOSISDBHSA-N 0 0 436.574 2.648 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)cc1Cl ZINC000035432712 525525281 /nfs/dbraw/zinc/52/52/81/525525281.db2.gz QDHNZRSGDXNLEE-UHFFFAOYSA-N 0 0 435.908 2.887 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000012788816 525528532 /nfs/dbraw/zinc/52/85/32/525528532.db2.gz XYUVLOFRQKPPJV-UXHICEINSA-N 0 0 429.586 2.957 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N[C@H](C)c3ccccc3C)CC2)cc1 ZINC000012741282 525530193 /nfs/dbraw/zinc/53/01/93/525530193.db2.gz ZDERSAIKPSWULR-HXUWFJFHSA-N 0 0 429.586 2.877 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](NC(=O)C3CCCCC3)C(C)C)CC2)cc1 ZINC000012908438 525539171 /nfs/dbraw/zinc/53/91/71/525539171.db2.gz GEJYUYNPSSJSKX-OAQYLSRUSA-N 0 0 449.617 2.549 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3Cl)CC2)cc1C ZINC000035504093 525542185 /nfs/dbraw/zinc/54/21/85/525542185.db2.gz WPBSOUVGPLOORX-UHFFFAOYSA-N 0 0 435.977 2.580 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3Cl)CC2)c(C)c1 ZINC000012508924 525565648 /nfs/dbraw/zinc/56/56/48/525565648.db2.gz PHTUBRHEMQFCRZ-UHFFFAOYSA-N 0 0 435.977 2.974 50 0 IFAARN Cc1c(C(=O)N2CCC(C(N)=O)CC2)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 ZINC000014989157 525568103 /nfs/dbraw/zinc/56/81/03/525568103.db2.gz UJYIMYSXIQYIDL-VNQPRFMTSA-N 0 0 425.558 2.961 50 0 IFAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(Br)c1 ZINC000012854295 525575313 /nfs/dbraw/zinc/57/53/13/525575313.db2.gz KNLLFTYQXSUYON-QGZVFWFLSA-N 0 0 439.375 2.937 50 0 IFAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)CC2)cnn1C ZINC000012752160 525581756 /nfs/dbraw/zinc/58/17/56/525581756.db2.gz PNSAHXBVBDGAKI-UHFFFAOYSA-N 0 0 432.590 2.790 50 0 IFAARN Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2F)c(C)n1C ZINC000021154353 525583825 /nfs/dbraw/zinc/58/38/25/525583825.db2.gz UHWAAELJXHRLHB-UHFFFAOYSA-N 0 0 429.901 2.708 50 0 IFAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000023744606 525592043 /nfs/dbraw/zinc/59/20/43/525592043.db2.gz AEISDQDYAIIODK-OALUTQOASA-N 0 0 447.626 2.789 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@H]3C(=O)NC(C)C)c2)cc1 ZINC000021662273 525612485 /nfs/dbraw/zinc/61/24/85/525612485.db2.gz GFTCIXDOAZAQRZ-FQEVSTJZSA-N 0 0 429.542 2.925 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000012661765 525613357 /nfs/dbraw/zinc/61/33/57/525613357.db2.gz IWVFNFUVXBTIBC-VBKZILBWSA-N 0 0 432.379 2.781 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CCCCCC3)C1)O[C@H](C)C(=O)N2 ZINC000035379086 525614066 /nfs/dbraw/zinc/61/40/66/525614066.db2.gz MMUQZZLQQOIEGJ-SJORKVTESA-N 0 0 449.573 2.518 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N3CCCC[C@@H]3C)CC1)O[C@H](C)C(=O)N2 ZINC000032958919 525614662 /nfs/dbraw/zinc/61/46/62/525614662.db2.gz GOXGFNRBSBPLFA-JKSUJKDBSA-N 0 0 449.573 2.516 50 0 IFAARN COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)c(C)nc2c1 ZINC000012745326 525623570 /nfs/dbraw/zinc/62/35/70/525623570.db2.gz PDEBDWMYGLGUIG-UHFFFAOYSA-N 0 0 443.500 2.838 50 0 IFAARN Cc1c(C(=O)NC[C@H]2CCS(=O)(=O)C2)sc2ncnc(NCCc3ccccc3)c12 ZINC000012199721 525625531 /nfs/dbraw/zinc/62/55/31/525625531.db2.gz XROQGQNJEMXZCU-MRXNPFEDSA-N 0 0 444.582 2.819 50 0 IFAARN COc1ccc2ccccc2c1CNC(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000012458757 525652169 /nfs/dbraw/zinc/65/21/69/525652169.db2.gz CVDVNXQXKIHSMZ-IBGZPJMESA-N 0 0 437.540 2.716 50 0 IFAARN Cc1cc2nc(C)c(CCC(=O)NC[C@@H](c3cccs3)N3CCOCC3)c(C)n2n1 ZINC000023745234 525670253 /nfs/dbraw/zinc/67/02/53/525670253.db2.gz RFRYSMDAAKRPKE-IBGZPJMESA-N 0 0 427.574 2.838 50 0 IFAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)COc4ccccc4)c3)cc(=O)n2o1 ZINC000015772256 525672951 /nfs/dbraw/zinc/67/29/51/525672951.db2.gz FYWNAVXGQFLEKE-UHFFFAOYSA-N 0 0 433.420 2.970 50 0 IFAARN COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N4CCN(C(C)=O)CC4)cc3)cc2c1 ZINC000012322721 525684048 /nfs/dbraw/zinc/68/40/48/525684048.db2.gz YVICYWDKKXZVIZ-UHFFFAOYSA-N 0 0 436.464 2.538 50 0 IFAARN Cc1ccnc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000012534158 525688655 /nfs/dbraw/zinc/68/86/55/525688655.db2.gz VQZJVXWDYSWOBN-SFHVURJKSA-N 0 0 431.558 2.859 50 0 IFAARN CSCc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000012805992 525725983 /nfs/dbraw/zinc/72/59/83/525725983.db2.gz OVPVTFRMVFZPOK-UHFFFAOYSA-N 0 0 426.585 2.562 50 0 IFAARN Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000021785713 525742330 /nfs/dbraw/zinc/74/23/30/525742330.db2.gz WSERBLBFZYXNBK-GOSISDBHSA-N 0 0 429.498 2.708 50 0 IFAARN COc1cccc(-n2c3nc(-c4ccc(C(F)(F)F)cc4)nc(C(N)=O)c3n(C)c2=O)c1 ZINC000020855481 525748555 /nfs/dbraw/zinc/74/85/55/525748555.db2.gz OVAZUXPSZOLCHQ-UHFFFAOYSA-N 0 0 443.385 2.913 50 0 IFAARN COc1cccc(C(=O)Oc2coc(CSc3nnc(NC(C)=O)s3)cc2=O)c1 ZINC000016047720 525841126 /nfs/dbraw/zinc/84/11/26/525841126.db2.gz MXSJZBVKXNKJPO-UHFFFAOYSA-N 0 0 433.467 2.970 50 0 IFAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(-n5cncn5)cc4)CC3)n2)cc1 ZINC000012762625 525878753 /nfs/dbraw/zinc/87/87/53/525878753.db2.gz OUTRUOOYFNGPEF-UHFFFAOYSA-N 0 0 429.484 2.584 50 0 IFAARN C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012631086 525882957 /nfs/dbraw/zinc/88/29/57/525882957.db2.gz WXGPBWASBYTIMY-HNNXBMFYSA-N 0 0 441.509 2.738 50 0 IFAARN C[C@@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)N1CCc2ccccc2C1 ZINC000021327675 525885294 /nfs/dbraw/zinc/88/52/94/525885294.db2.gz QBUOKKUNGJXNLC-GOSISDBHSA-N 0 0 433.508 2.920 50 0 IFAARN C[C@H](OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C(=O)N1CCc2ccccc21 ZINC000022501024 525891690 /nfs/dbraw/zinc/89/16/90/525891690.db2.gz IZJGWZLGEUZTOL-JTQLQIEISA-N 0 0 443.308 2.775 50 0 IFAARN Cc1cn2c(C(=O)N3CCC[C@@H](CNS(=O)(=O)Cc4ccccc4)C3)csc2n1 ZINC000012440055 525912858 /nfs/dbraw/zinc/91/28/58/525912858.db2.gz FEOGHRKPRLEPBK-KRWDZBQOSA-N 0 0 432.571 2.676 50 0 IFAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012617781 525931368 /nfs/dbraw/zinc/93/13/68/525931368.db2.gz GAQJLAWXAWDHER-AWEZNQCLSA-N 0 0 432.933 2.521 50 0 IFAARN Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)CNC(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000012779878 525961327 /nfs/dbraw/zinc/96/13/27/525961327.db2.gz OXONGBYNTQHNNX-UYRXBGFRSA-N 0 0 437.521 2.886 50 0 IFAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCN1CCOCC1)OC(C)(C)CC3 ZINC000020756826 525961511 /nfs/dbraw/zinc/96/15/11/525961511.db2.gz ZGDFZFFBGLHSCI-UHFFFAOYSA-N 0 0 428.529 2.586 50 0 IFAARN COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]ccc4c3)CC2)c1 ZINC000021053421 525964267 /nfs/dbraw/zinc/96/42/67/525964267.db2.gz ABBUAKKTOGOGEP-UHFFFAOYSA-N 0 0 427.526 2.894 50 0 IFAARN C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)C(=O)NCc1cccs1 ZINC000012809751 526000093 /nfs/dbraw/zinc/00/00/93/526000093.db2.gz FRHIBCRKAGGDGK-SNVBAGLBSA-N 0 0 443.554 2.963 50 0 IFAARN C[C@@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(=O)Nc1sccc1C(N)=O ZINC000012774216 526015533 /nfs/dbraw/zinc/01/55/33/526015533.db2.gz RXHQPZPXTWONPI-QMTHXVAHSA-N 0 0 445.526 2.607 50 0 IFAARN Cc1cc(-c2nnc(CN(C)Cc3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)o2)c(C)o1 ZINC000012786284 526056623 /nfs/dbraw/zinc/05/66/23/526056623.db2.gz LKVJYQRNWQDEPA-MRXNPFEDSA-N 0 0 433.534 2.751 50 0 IFAARN C[C@H](C(=O)NCCn1nc(-c2cccs2)ccc1=O)n1nc(-c2ccccc2)ccc1=O ZINC000042381001 526059159 /nfs/dbraw/zinc/05/91/59/526059159.db2.gz ZFTZULRBAPZJGU-MRXNPFEDSA-N 0 0 447.520 2.573 50 0 IFAARN Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)C(=O)N(Cc4cccs4)C3=O)c2C)no1 ZINC000013128354 526069750 /nfs/dbraw/zinc/06/97/50/526069750.db2.gz JLTUYNWUAZZFQI-UHFFFAOYSA-N 0 0 426.454 2.626 50 0 IFAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1C ZINC000012907972 526111542 /nfs/dbraw/zinc/11/15/42/526111542.db2.gz JSORNDFVRQSHAA-UHFFFAOYSA-N 0 0 430.526 2.611 50 0 IFAARN Cc1cc(=O)c(C(=O)NCC(=O)Nc2ccccc2Br)nn1-c1ccccc1 ZINC000012928963 526128057 /nfs/dbraw/zinc/12/80/57/526128057.db2.gz LTIXULDCXVYGKR-UHFFFAOYSA-N 0 0 441.285 2.672 50 0 IFAARN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012795363 526148691 /nfs/dbraw/zinc/14/86/91/526148691.db2.gz ZMELIPNNXNVEGI-OAHLLOKOSA-N 0 0 425.485 2.841 50 0 IFAARN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccc3c(c2)OCCO3)ccc1=O ZINC000021785811 526150792 /nfs/dbraw/zinc/15/07/92/526150792.db2.gz PMQKHYGMFNPMIQ-CQSZACIVSA-N 0 0 435.436 2.652 50 0 IFAARN CSc1ccccc1C(=O)NCCn1ncc2c1ncn(Cc1ccccc1F)c2=O ZINC000012071646 526151609 /nfs/dbraw/zinc/15/16/09/526151609.db2.gz ZRCMMRDIWJOOOL-UHFFFAOYSA-N 0 0 437.500 2.932 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)CC2)c1 ZINC000035539099 526155594 /nfs/dbraw/zinc/15/55/94/526155594.db2.gz HFWOLCVYOSNTGD-UHFFFAOYSA-N 0 0 434.543 2.934 50 0 IFAARN CSc1ccccc1NC(=O)CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000034721483 526166968 /nfs/dbraw/zinc/16/69/68/526166968.db2.gz WDIDDTBCZSLKGB-WJDWOHSUSA-N 0 0 431.583 2.965 50 0 IFAARN COc1cccc(NC(=O)CCC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000020744986 526168991 /nfs/dbraw/zinc/16/89/91/526168991.db2.gz LPDZJMGUWLQLIZ-UHFFFAOYSA-N 0 0 434.496 2.880 50 0 IFAARN Cc1ccc(C(=O)NCCc2ccccc2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@H]2S1 ZINC000009860623 526170658 /nfs/dbraw/zinc/17/06/58/526170658.db2.gz MHEKEANIQYUDEJ-RTBURBONSA-N 0 0 429.567 2.648 50 0 IFAARN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000023827867 526172572 /nfs/dbraw/zinc/17/25/72/526172572.db2.gz UJNZRKGAPRVITG-LBPRGKRZSA-N 0 0 438.962 2.706 50 0 IFAARN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000035400027 526178916 /nfs/dbraw/zinc/17/89/16/526178916.db2.gz ZDOMZTAEDOPKEF-OAHLLOKOSA-N 0 0 430.505 2.520 50 0 IFAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000022799576 526180104 /nfs/dbraw/zinc/18/01/04/526180104.db2.gz LLZYFHLYTCGFCH-QGZVFWFLSA-N 0 0 445.633 2.738 50 0 IFAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012770395 526186690 /nfs/dbraw/zinc/18/66/90/526186690.db2.gz JKSCVIWFFKYLLD-RHSMWYFYSA-N 0 0 426.498 2.843 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)O[C@H](C)C(=O)N3CCCc4ccccc43)c(C)n2n1 ZINC000022613181 526217956 /nfs/dbraw/zinc/21/79/56/526217956.db2.gz YTEKVBSRGBCKJV-OAHLLOKOSA-N 0 0 439.541 2.917 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)N[C@@H](c3nccn3C)c3cccc(F)c3)c(C)n2n1 ZINC000012547769 526218020 /nfs/dbraw/zinc/21/80/20/526218020.db2.gz UCTXUBIACSGXNP-GOSISDBHSA-N 0 0 439.520 2.784 50 0 IFAARN CSc1nnc(CNC(=O)CN2C[C@@H](c3ccccc3)CC2=O)n1-c1ccccc1C ZINC000012247001 526228468 /nfs/dbraw/zinc/22/84/68/526228468.db2.gz NQYNWOXSEKDWLU-SFHVURJKSA-N 0 0 435.553 2.930 50 0 IFAARN Cc1ccc(C(=O)Nc2cnn(-c3ccc(C(=O)NC[C@@H]4COCCO4)cc3)c2)c(C)c1 ZINC000012150475 526228466 /nfs/dbraw/zinc/22/84/66/526228466.db2.gz GAUFWFSIFBDUHG-OAQYLSRUSA-N 0 0 434.496 2.887 50 0 IFAARN Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3c(cc(F)cc3F)s2)n(C)n1 ZINC000022768235 526231407 /nfs/dbraw/zinc/23/14/07/526231407.db2.gz BEOGELLSGLIMNI-UHFFFAOYSA-N 0 0 435.500 2.986 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC(=O)NC1CCCC1 ZINC000035560487 526252468 /nfs/dbraw/zinc/25/24/68/526252468.db2.gz VNYCMDOJEGTYTE-INIZCTEOSA-N 0 0 433.574 2.588 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1 ZINC000035398928 526252968 /nfs/dbraw/zinc/25/29/68/526252968.db2.gz AWHYHRCYNRPJEX-SFHVURJKSA-N 0 0 447.601 2.932 50 0 IFAARN Cc1nn(CCC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029026 526277786 /nfs/dbraw/zinc/27/77/86/526277786.db2.gz UIJXERXLRUCCCB-HXUWFJFHSA-N 0 0 430.574 2.868 50 0 IFAARN Cc1nn(CCC(=O)Nc2ccc(C)c(N(C)C)c2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029235 526278334 /nfs/dbraw/zinc/27/83/34/526278334.db2.gz PNWCFCMSUDOGSR-UHFFFAOYSA-N 0 0 433.578 2.688 50 0 IFAARN O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021528777 526282159 /nfs/dbraw/zinc/28/21/59/526282159.db2.gz DTUMVDLETMFKHD-OAHLLOKOSA-N 0 0 432.571 2.774 50 0 IFAARN Cc1nn(C[C@H](C)C(=O)N2NC(C(F)F)=C[C@@]2(O)C(F)F)c(C)c1Br ZINC000017096282 526285540 /nfs/dbraw/zinc/28/55/40/526285540.db2.gz KWAFYYMDIKJKKI-DXRPGJJCSA-N 0 0 429.212 2.706 50 0 IFAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)N(C)CC(=O)N3CCN(C)CC3)cc12 ZINC000012814699 526289604 /nfs/dbraw/zinc/28/96/04/526289604.db2.gz VVPWLSJGSXRNSJ-UHFFFAOYSA-N 0 0 439.585 2.609 50 0 IFAARN O=C(C1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1)N1CCCCC1 ZINC000015066880 526307129 /nfs/dbraw/zinc/30/71/29/526307129.db2.gz XDTZMCSHFLIHRI-SFHVURJKSA-N 0 0 425.529 2.691 50 0 IFAARN O=C(NCCN1CCCCC1=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012701881 526309169 /nfs/dbraw/zinc/30/91/69/526309169.db2.gz KRVDHBQKDTVHJG-MRXNPFEDSA-N 0 0 425.451 2.573 50 0 IFAARN O=C(CC1CCCCC1)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1 ZINC000035376532 526359497 /nfs/dbraw/zinc/35/94/97/526359497.db2.gz IZQKIIZUMICCIW-UHFFFAOYSA-N 0 0 429.536 2.958 50 0 IFAARN Cc1nnc(NC(=O)CCc2nc(CSc3nnc(-c4ccncc4)o3)no2)s1 ZINC000021721878 526362602 /nfs/dbraw/zinc/36/26/02/526362602.db2.gz IIOYDUFANMGVAO-UHFFFAOYSA-N 0 0 430.475 2.538 50 0 IFAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1)N1CCCC1 ZINC000033024928 526366832 /nfs/dbraw/zinc/36/68/32/526366832.db2.gz QLGCXVLFUGSFTL-UHFFFAOYSA-N 0 0 427.530 2.655 50 0 IFAARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012697052 526413933 /nfs/dbraw/zinc/41/39/33/526413933.db2.gz XGWSRXPZFXSMIW-UHFFFAOYSA-N 0 0 444.553 2.995 50 0 IFAARN O=C(OCCCN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000024732798 526418782 /nfs/dbraw/zinc/41/87/82/526418782.db2.gz PINLKBNIRSUSNJ-UHFFFAOYSA-N 0 0 438.455 2.907 50 0 IFAARN O=C(OCCN1CCN(C2=CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1)c1cccs1 ZINC000020479795 526419437 /nfs/dbraw/zinc/41/94/37/526419437.db2.gz JLKPGPGWTNGKMW-UHFFFAOYSA-N 0 0 445.928 2.633 50 0 IFAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000023639713 526433499 /nfs/dbraw/zinc/43/34/99/526433499.db2.gz HVISVJVDPYLLPH-UHFFFAOYSA-N 0 0 432.952 2.629 50 0 IFAARN O=C(NCCc1cn2ccccc2n1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000012576949 526451426 /nfs/dbraw/zinc/45/14/26/526451426.db2.gz IHZIWBSWXMXXMJ-AWEZNQCLSA-N 0 0 427.302 2.809 50 0 IFAARN O=C(NCCc1cn2ccccc2n1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000012559943 526451847 /nfs/dbraw/zinc/45/18/47/526451847.db2.gz XNIJNIZBHBBGEK-JOCHJYFZSA-N 0 0 438.487 2.901 50 0 IFAARN O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1)N1CC(=O)Nc2ccccc21 ZINC000021009879 526466107 /nfs/dbraw/zinc/46/61/07/526466107.db2.gz UOBNTXFDTWSZNM-AWEZNQCLSA-N 0 0 439.946 2.930 50 0 IFAARN O=C([C@@H]1CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)c2ccccc2O1)N1CCOCC1 ZINC000015048423 526489738 /nfs/dbraw/zinc/48/97/38/526489738.db2.gz PKDSBAVDZOJMSQ-DEOSSOPVSA-N 0 0 446.503 2.908 50 0 IFAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCC1 ZINC000017169983 526493454 /nfs/dbraw/zinc/49/34/54/526493454.db2.gz REPRFTMCDYRUQL-SFHVURJKSA-N 0 0 438.546 2.967 50 0 IFAARN O=C(CCNC(=O)c1ccccc1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000012796735 526505121 /nfs/dbraw/zinc/50/51/21/526505121.db2.gz FYVXAWGTDXCJAN-UHFFFAOYSA-N 0 0 441.553 2.570 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NC12CC3CC(CC(C3)C1)C2 ZINC000012915120 526511783 /nfs/dbraw/zinc/51/17/83/526511783.db2.gz NNSRPJXXFROMRY-UHFFFAOYSA-N 0 0 434.558 2.601 50 0 IFAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000001059480 526539390 /nfs/dbraw/zinc/53/93/90/526539390.db2.gz QQXUXJPOZYBWBX-SFHVURJKSA-N 0 0 431.533 2.575 50 0 IFAARN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000016063445 526559054 /nfs/dbraw/zinc/55/90/54/526559054.db2.gz JFTRDTFBZGZGKT-OAHLLOKOSA-N 0 0 438.908 2.563 50 0 IFAARN Cc1nc(-c2ccc(N3CCN(C(=O)COc4cccc5c4OC(C)(C)C5)CC3)nc2)no1 ZINC000042380534 526576399 /nfs/dbraw/zinc/57/63/99/526576399.db2.gz UUMVXACXSXTZKH-UHFFFAOYSA-N 0 0 449.511 2.881 50 0 IFAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cs1 ZINC000012795768 526580228 /nfs/dbraw/zinc/58/02/28/526580228.db2.gz MBWMFSTXZVCZFV-UHFFFAOYSA-N 0 0 439.518 2.852 50 0 IFAARN O=C(c1cc(-c2ccccc2)on1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012804037 526592060 /nfs/dbraw/zinc/59/20/60/526592060.db2.gz DYPIMOOYVWOGFW-UHFFFAOYSA-N 0 0 433.436 2.767 50 0 IFAARN O=C(c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012229817 526602585 /nfs/dbraw/zinc/60/25/85/526602585.db2.gz WIYXUFGLFQHOJD-GOSISDBHSA-N 0 0 448.976 2.736 50 0 IFAARN O=C(CCc1ccccc1)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1 ZINC000035376519 526606541 /nfs/dbraw/zinc/60/65/41/526606541.db2.gz HMNGLLOTLXLJFQ-UHFFFAOYSA-N 0 0 437.515 2.620 50 0 IFAARN O=C(CCc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000021010874 526607586 /nfs/dbraw/zinc/60/75/86/526607586.db2.gz VPQNOBKHZLPXEP-UHFFFAOYSA-N 0 0 431.475 2.631 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)NC[C@@H]3CCCO3)c2)sc1C(=O)N1CCCC1 ZINC000035527922 526624217 /nfs/dbraw/zinc/62/42/17/526624217.db2.gz QKSKORRHCBXNEG-AWEZNQCLSA-N 0 0 441.600 2.873 50 0 IFAARN O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012675838 526641644 /nfs/dbraw/zinc/64/16/44/526641644.db2.gz RAHLELDOWGSPQL-UHFFFAOYSA-N 0 0 442.493 2.741 50 0 IFAARN Cc1nc(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CC3CC3)C2)cs1 ZINC000014535794 526644367 /nfs/dbraw/zinc/64/43/67/526644367.db2.gz FJTCRDZVFCLYKQ-UHFFFAOYSA-N 0 0 436.541 2.582 50 0 IFAARN O=C(CCc1nc(CN2CCN(C(=O)c3ccccc3Cl)CC2)no1)N1CCCCC1 ZINC000020936550 526650726 /nfs/dbraw/zinc/65/07/26/526650726.db2.gz FGIARCMEVIRTCS-UHFFFAOYSA-N 0 0 445.951 2.626 50 0 IFAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)N1CCN(c2ccccn2)CC1 ZINC000021882520 526655403 /nfs/dbraw/zinc/65/54/03/526655403.db2.gz WGMSOKOHTGWVNG-UHFFFAOYSA-N 0 0 437.569 2.930 50 0 IFAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CCCCC1 ZINC000035426601 526668769 /nfs/dbraw/zinc/66/87/69/526668769.db2.gz GBCUVWCGJXMZCU-UHFFFAOYSA-N 0 0 437.587 2.640 50 0 IFAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC[C@@H]1CCCO1 ZINC000015722355 526672611 /nfs/dbraw/zinc/67/26/11/526672611.db2.gz ATNMRTGQXGJGNB-IBGZPJMESA-N 0 0 433.574 2.891 50 0 IFAARN O=C(CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)Nc1ccc2c(c1)OCCO2 ZINC000020574604 526684986 /nfs/dbraw/zinc/68/49/86/526684986.db2.gz AFVKADYXDBKFON-UHFFFAOYSA-N 0 0 436.399 2.991 50 0 IFAARN O=C(CCn1nnc(-c2ccc(Br)cc2)n1)NC(=O)NCc1ccccc1 ZINC000012816403 526691445 /nfs/dbraw/zinc/69/14/45/526691445.db2.gz SWXDPUFQLZHYGM-UHFFFAOYSA-N 0 0 429.278 2.519 50 0 IFAARN O=C(CN(C1CC1)S(=O)(=O)Cc1ccccc1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000035767843 526693249 /nfs/dbraw/zinc/69/32/49/526693249.db2.gz XOHMDUIMRYFWRV-OAQYLSRUSA-N 0 0 432.542 2.782 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907328 526697649 /nfs/dbraw/zinc/69/76/49/526697649.db2.gz JEPSNODYKJPTPN-FQEVSTJZSA-N 0 0 447.491 2.540 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1cnc(-c2ccc(F)cc2)nc1N1CCOCC1 ZINC000036002733 526701970 /nfs/dbraw/zinc/70/19/70/526701970.db2.gz PMZALTWXDJBSDG-UHFFFAOYSA-N 0 0 436.443 2.778 50 0 IFAARN O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCCCC1 ZINC000035428724 526707313 /nfs/dbraw/zinc/70/73/13/526707313.db2.gz MYYSTCXQNZQSEH-UHFFFAOYSA-N 0 0 447.601 2.979 50 0 IFAARN O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccccc1I ZINC000012898894 526707867 /nfs/dbraw/zinc/70/78/67/526707867.db2.gz NAXZQADZKUQWJL-UHFFFAOYSA-N 0 0 426.254 2.939 50 0 IFAARN O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccc(I)cc1 ZINC000012913320 526708054 /nfs/dbraw/zinc/70/80/54/526708054.db2.gz UYOUGSQWOCBRBR-UHFFFAOYSA-N 0 0 426.254 2.939 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(Cc2cccs2)CC1 ZINC000022025352 526710904 /nfs/dbraw/zinc/71/09/04/526710904.db2.gz KLKSLRNQNBKKAF-UHFFFAOYSA-N 0 0 433.599 2.881 50 0 IFAARN O=C(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1)N1CCN(c2ccccn2)CC1 ZINC000035483537 526712260 /nfs/dbraw/zinc/71/22/60/526712260.db2.gz KXAKCBJEPQUAHG-UHFFFAOYSA-N 0 0 442.928 2.925 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)Nc1ccc2c(c1)OCCCO2 ZINC000012685603 526713736 /nfs/dbraw/zinc/71/37/36/526713736.db2.gz YCNCJRNQACQMQK-NRFANRHFSA-N 0 0 427.482 2.632 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(I)cc1 ZINC000012750011 526713774 /nfs/dbraw/zinc/71/37/74/526713774.db2.gz LDKBLGTZUTUXRU-LJQANCHMSA-N 0 0 446.244 2.867 50 0 IFAARN O=C(c1ccc2c(c1)NC(=O)[C@H]1CCCCN21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021087722 526726093 /nfs/dbraw/zinc/72/60/93/526726093.db2.gz KEPOSYCXRSSGCJ-OAQYLSRUSA-N 0 0 448.523 2.684 50 0 IFAARN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000015944298 526731792 /nfs/dbraw/zinc/73/17/92/526731792.db2.gz KSSHPEBXDKCVCE-UHFFFAOYSA-N 0 0 442.493 2.918 50 0 IFAARN O=C(CN1CCN(C(=O)CSc2ncnc3sccc32)CC1)Nc1cccc(F)c1 ZINC000035380073 526762485 /nfs/dbraw/zinc/76/24/85/526762485.db2.gz KIOLPBSXGPOMBV-UHFFFAOYSA-N 0 0 445.545 2.705 50 0 IFAARN O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)NCc1ccc(Cl)cc1Cl ZINC000022788600 526769006 /nfs/dbraw/zinc/76/90/06/526769006.db2.gz GJMUZPSUAXPBLI-UHFFFAOYSA-N 0 0 441.403 2.630 50 0 IFAARN O=C(CN1CCN(CC(=O)NC2CCCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000020689962 526769810 /nfs/dbraw/zinc/76/98/10/526769810.db2.gz YDECPPMMMCRKQK-UHFFFAOYSA-N 0 0 426.483 2.710 50 0 IFAARN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCS[C@@H]1c1ccccc1F ZINC000022793198 526773866 /nfs/dbraw/zinc/77/38/66/526773866.db2.gz XXPZGNCQMBREIU-HSZRJFAPSA-N 0 0 443.544 2.946 50 0 IFAARN O=C(CN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1)N1CCOCC1 ZINC000022356903 526776926 /nfs/dbraw/zinc/77/69/26/526776926.db2.gz LYYWGVQYFUPTOO-UHFFFAOYSA-N 0 0 445.567 2.516 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000034854118 526778335 /nfs/dbraw/zinc/77/83/35/526778335.db2.gz MNUBQOOLSPNZGB-PZSRYKBRSA-N 0 0 439.581 2.799 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(Cl)c1Cl ZINC000035392935 526779920 /nfs/dbraw/zinc/77/99/20/526779920.db2.gz MVMRFRPBLGUPPC-UHFFFAOYSA-N 0 0 428.341 2.938 50 0 IFAARN O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(F)cc1Cl ZINC000012537433 526819631 /nfs/dbraw/zinc/81/96/31/526819631.db2.gz JXJIHUPOWPHXCE-LJQANCHMSA-N 0 0 433.867 2.544 50 0 IFAARN Cc1nc(CCNC(=O)[C@H]2CSCN2S(=O)(=O)c2cccc(Cl)c2)cs1 ZINC000033282355 526823180 /nfs/dbraw/zinc/82/31/80/526823180.db2.gz OEZUNGLDPIJTGG-OAHLLOKOSA-N 0 0 431.992 2.527 50 0 IFAARN O=C(CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O)Nc1ccncc1 ZINC000035445784 526825256 /nfs/dbraw/zinc/82/52/56/526825256.db2.gz JYGAKQXWXVJVFB-FQEVSTJZSA-N 0 0 433.512 2.662 50 0 IFAARN O=C(CN1c2ccccc2OCCC1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000012754580 526828197 /nfs/dbraw/zinc/82/81/97/526828197.db2.gz JDXCEWPCEMVAKO-UHFFFAOYSA-N 0 0 438.509 2.887 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1 ZINC000035562308 526828868 /nfs/dbraw/zinc/82/88/68/526828868.db2.gz BERKLNTTXBFRMX-UHFFFAOYSA-N 0 0 430.507 2.772 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)CC1 ZINC000012374875 526829948 /nfs/dbraw/zinc/82/99/48/526829948.db2.gz JBNAIMHITWLFDJ-OALUTQOASA-N 0 0 435.480 2.557 50 0 IFAARN O=C(CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NC1CC1 ZINC000012508143 526834507 /nfs/dbraw/zinc/83/45/07/526834507.db2.gz HGSNQPPYPNDDPE-UHFFFAOYSA-N 0 0 437.521 2.578 50 0 IFAARN NC(=O)C1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2-n2cccc2)CC1 ZINC000022519487 526856935 /nfs/dbraw/zinc/85/69/35/526856935.db2.gz IBDMYPSRNGRLTD-UHFFFAOYSA-N 0 0 442.317 2.763 50 0 IFAARN Cc1sc2nc(CN3CCN(Cc4nnc(-c5ccco5)o4)CC3)[nH]c(=O)c2c1C ZINC000022781613 526891758 /nfs/dbraw/zinc/89/17/58/526891758.db2.gz ZDMHOQMGFRNSBZ-UHFFFAOYSA-N 0 0 426.502 2.562 50 0 IFAARN Cc1sc2nc(CN3CCN(S(=O)(=O)C=Cc4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000022245239 526892869 /nfs/dbraw/zinc/89/28/69/526892869.db2.gz YXSHCPRRWSOQGR-MDWZMJQESA-N 0 0 444.582 2.720 50 0 IFAARN O=C(COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000012603081 526907720 /nfs/dbraw/zinc/90/77/20/526907720.db2.gz SWMCYBFPVVOCCC-HUUCEWRRSA-N 0 0 425.268 2.816 50 0 IFAARN O=C(COC(=O)CNC(=O)c1cccc(OC(F)F)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000012311534 526909047 /nfs/dbraw/zinc/90/90/47/526909047.db2.gz CXQYUABTRYDXHX-UHFFFAOYSA-N 0 0 436.455 2.646 50 0 IFAARN NC(=O)Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccco1 ZINC000023347955 526912262 /nfs/dbraw/zinc/91/22/62/526912262.db2.gz ARCJXOFBZPLUKF-UHFFFAOYSA-N 0 0 436.291 2.517 50 0 IFAARN O=C(COC(=O)c1cc2c(s1)CCC2)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000012642983 526913350 /nfs/dbraw/zinc/91/33/50/526913350.db2.gz RXZQAWHNGSNLLE-KRWDZBQOSA-N 0 0 433.551 2.610 50 0 IFAARN O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000012752301 526936877 /nfs/dbraw/zinc/93/68/77/526936877.db2.gz WQLZUSUSEXJNJI-UHFFFAOYSA-N 0 0 447.582 2.521 50 0 IFAARN O=C(COCc1cc(-c2ccco2)on1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020531685 526940062 /nfs/dbraw/zinc/94/00/62/526940062.db2.gz QWSDYOAFDXCEHE-UHFFFAOYSA-N 0 0 425.441 2.524 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCCC[C@H]1CCn1cc(C(=O)NC2CC2)nn1 ZINC000012205817 526950961 /nfs/dbraw/zinc/95/09/61/526950961.db2.gz KCSOIOINPWSPLW-KRWDZBQOSA-N 0 0 431.924 2.674 50 0 IFAARN O=C(COc1ccc(F)c(Cl)c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012905266 526957149 /nfs/dbraw/zinc/95/71/49/526957149.db2.gz FKLQLSHVZLHION-UHFFFAOYSA-N 0 0 448.850 2.669 50 0 IFAARN O=C(COc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000012779019 526974874 /nfs/dbraw/zinc/97/48/74/526974874.db2.gz BUALPSQHCRRWGR-UHFFFAOYSA-N 0 0 446.422 2.756 50 0 IFAARN O=C(COc1ccccc1)N1CCN(c2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000021884364 526982578 /nfs/dbraw/zinc/98/25/78/526982578.db2.gz NAUCPWVXERWDHY-UHFFFAOYSA-N 0 0 447.520 2.546 50 0 IFAARN O=C(COc1ccccc1-c1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000012587385 526987148 /nfs/dbraw/zinc/98/71/48/526987148.db2.gz NXPAWZSHJSIIPA-UXHICEINSA-N 0 0 429.538 2.927 50 0 IFAARN NC(=O)[C@H]1CCCN1c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000022225572 527005111 /nfs/dbraw/zinc/00/51/11/527005111.db2.gz MZNWNUCEQVIGQY-CQSZACIVSA-N 0 0 429.571 2.706 50 0 IFAARN O=C1CS(=O)(=O)[C@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)N1c1ccccc1 ZINC000020577367 527015354 /nfs/dbraw/zinc/01/53/54/527015354.db2.gz CAZIIXVAINACOT-QHCPKHFHSA-N 0 0 436.464 2.987 50 0 IFAARN Cn1c(=O)c2cc(C(=O)Nc3nc4ccc(SC(F)F)cc4s3)cnc2n(C)c1=O ZINC000012777672 527025542 /nfs/dbraw/zinc/02/55/42/527025542.db2.gz NYBUOFMHYRIQNZ-UHFFFAOYSA-N 0 0 449.464 2.809 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)NC(=O)c1cccs1 ZINC000012554759 527037801 /nfs/dbraw/zinc/03/78/01/527037801.db2.gz FPNNEKCOANMCLY-UHFFFAOYSA-N 0 0 439.584 2.757 50 0 IFAARN Cn1c(CCC(=O)Nc2cccnc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012578699 527047177 /nfs/dbraw/zinc/04/71/77/527047177.db2.gz FMKOUQNGQDLHAJ-UHFFFAOYSA-N 0 0 427.530 2.714 50 0 IFAARN O=C(CSc1nc(CC(=O)N2CCN(c3ncccn3)CC2)cs1)c1ccccc1 ZINC000012444175 527054421 /nfs/dbraw/zinc/05/44/21/527054421.db2.gz SMXYBZAOCMQUKV-UHFFFAOYSA-N 0 0 439.566 2.799 50 0 IFAARN O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)N[C@H]1CCS(=O)(=O)C1 ZINC000009544529 527054608 /nfs/dbraw/zinc/05/46/08/527054608.db2.gz OJNCVSIINDPEOE-INIZCTEOSA-N 0 0 434.587 2.710 50 0 IFAARN O=C(CSc1nc2c(nc[nH]c2=O)n1C[C@H]1CCCO1)Nc1ccc(F)c(Cl)c1 ZINC000012428536 527058392 /nfs/dbraw/zinc/05/83/92/527058392.db2.gz CYZUSOLNOSZMLD-LLVKDONJSA-N 0 0 437.884 2.822 50 0 biogenic,in-vitro IFAARN O=C(CSc1ncc(CO)n1CC(=O)NCc1ccc(F)cc1)Nc1cccc(F)c1 ZINC000017155102 527068334 /nfs/dbraw/zinc/06/83/34/527068334.db2.gz COKRUSKAKZKVIL-UHFFFAOYSA-N 0 0 446.479 2.701 50 0 IFAARN O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022912919 527082974 /nfs/dbraw/zinc/08/29/74/527082974.db2.gz NBTAJLIBRRIZNU-IBGZPJMESA-N 0 0 435.553 2.535 50 0 IFAARN Cn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1[C@H]1COc2ccccc2O1 ZINC000012779474 527083795 /nfs/dbraw/zinc/08/37/95/527083795.db2.gz JMQHHNWDLVTSSE-GOSISDBHSA-N 0 0 438.465 2.634 50 0 IFAARN O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000012543477 527086272 /nfs/dbraw/zinc/08/62/72/527086272.db2.gz NLYXUHHOBKPHDD-UHFFFAOYSA-N 0 0 438.509 2.850 50 0 IFAARN O=C(CSc1nnc2ccccn21)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012533031 527090085 /nfs/dbraw/zinc/09/00/85/527090085.db2.gz IOPJDNUPSQFUMI-UHFFFAOYSA-N 0 0 431.543 2.635 50 0 IFAARN O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 ZINC000020933061 527137008 /nfs/dbraw/zinc/13/70/08/527137008.db2.gz NAWFCHVOEXGZNV-UHFFFAOYSA-N 0 0 439.468 2.538 50 0 IFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)N2CCc3ccccc3C2)s1 ZINC000020935733 527137147 /nfs/dbraw/zinc/13/71/47/527137147.db2.gz KMQOYXVHOSGCEG-UHFFFAOYSA-N 0 0 439.518 2.686 50 0 IFAARN O=S(=O)(/C=C/c1ccccc1)N1CCCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000023437356 527156257 /nfs/dbraw/zinc/15/62/57/527156257.db2.gz BOQUOVDQMHVAHM-KLCVKJMQSA-N 0 0 432.567 2.996 50 0 IFAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc2ccccc2oc1=O ZINC000012488636 527177677 /nfs/dbraw/zinc/17/76/77/527177677.db2.gz IPQBJNVBXOJJDD-UHFFFAOYSA-N 0 0 448.884 2.720 50 0 IFAARN O=C(C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)NCCN1CCCCC1 ZINC000021109776 527190341 /nfs/dbraw/zinc/19/03/41/527190341.db2.gz HMLLUMDFUIFZBE-WJOKGBTCSA-N 0 0 439.585 2.514 50 0 IFAARN O=S(=O)(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1)c1ccccc1 ZINC000012754649 527210229 /nfs/dbraw/zinc/21/02/29/527210229.db2.gz RREFLZNPEZJEBN-UHFFFAOYSA-N 0 0 432.926 2.611 50 0 IFAARN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000033310630 527229535 /nfs/dbraw/zinc/22/95/35/527229535.db2.gz ANGOLDVPSLAXJN-NRFANRHFSA-N 0 0 426.488 2.911 50 0 IFAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2cc(Cl)ccc12 ZINC000012866810 527274872 /nfs/dbraw/zinc/27/48/72/527274872.db2.gz KCTXOZXHNILMBN-UHFFFAOYSA-N 0 0 436.896 2.634 50 0 IFAARN O=S(=O)(c1ccc(SCc2nccn2Cc2ccccc2)nc1)N1CCOCC1 ZINC000040067312 527279390 /nfs/dbraw/zinc/27/93/90/527279390.db2.gz LLNJRVWIQFTALO-UHFFFAOYSA-N 0 0 430.555 2.640 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000023883144 527280319 /nfs/dbraw/zinc/28/03/19/527280319.db2.gz DNKFHEVBVCFYDZ-UHFFFAOYSA-N 0 0 427.526 2.836 50 0 IFAARN O=C(Cc1ccccc1)NCc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000021886557 527282538 /nfs/dbraw/zinc/28/25/38/527282538.db2.gz LCWTVCXOFMUIIB-UHFFFAOYSA-N 0 0 440.525 2.770 50 0 IFAARN O=S(=O)(c1cccc(CSc2nncn2-c2ccccc2F)c1)N1CCOCC1 ZINC000012543911 527283671 /nfs/dbraw/zinc/28/36/71/527283671.db2.gz OAWNDLYCLXUSNX-UHFFFAOYSA-N 0 0 434.518 2.720 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)c1ccccc1 ZINC000035485637 527286195 /nfs/dbraw/zinc/28/61/95/527286195.db2.gz WYGKXRDKUALKAK-XUZZJYLKSA-N 0 0 443.503 2.968 50 0 IFAARN NS(=O)(=O)c1ccc(Cl)c(C(=O)OCCOc2ccc(Br)cc2)c1 ZINC000021471414 527313493 /nfs/dbraw/zinc/31/34/93/527313493.db2.gz XOORIFRXEHRJST-UHFFFAOYSA-N 0 0 434.695 2.986 50 0 IFAARN O=C(Cc1cn2ccsc2n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012548317 527322049 /nfs/dbraw/zinc/32/20/49/527322049.db2.gz BROKDTSTCWLVLJ-UHFFFAOYSA-N 0 0 440.550 2.625 50 0 IFAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 ZINC000012409936 527331371 /nfs/dbraw/zinc/33/13/71/527331371.db2.gz YHWOLFVWGOOIBR-CYBMUJFWSA-N 0 0 435.406 2.844 50 0 IFAARN O=C(Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccccc1F ZINC000033077230 527351422 /nfs/dbraw/zinc/35/14/22/527351422.db2.gz XFOSCSVUXNQNNT-UHFFFAOYSA-N 0 0 429.473 2.564 50 0 IFAARN O=C(Cn1c2ccccc2nc1SC(F)F)NCc1ccc(N2CCOCC2)nc1 ZINC000012544673 527362053 /nfs/dbraw/zinc/36/20/53/527362053.db2.gz RDWNCDXUYBAIBZ-UHFFFAOYSA-N 0 0 433.484 2.899 50 0 IFAARN O=C(Cn1ccnc1-c1ccccc1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 ZINC000012317462 527394297 /nfs/dbraw/zinc/39/42/97/527394297.db2.gz CBKBUVCOICZBPX-KRWDZBQOSA-N 0 0 444.582 2.829 50 0 IFAARN O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)N3CCCCC3)C2)s1 ZINC000033263442 527400689 /nfs/dbraw/zinc/40/06/89/527400689.db2.gz QVVCIKKXBJNPGW-OAHLLOKOSA-N 0 0 427.530 2.655 50 0 IFAARN O=C(Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000020574309 527406943 /nfs/dbraw/zinc/40/69/43/527406943.db2.gz TXELQIODYRUCKV-UHFFFAOYSA-N 0 0 447.470 2.535 50 0 IFAARN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 ZINC000012390217 527411634 /nfs/dbraw/zinc/41/16/34/527411634.db2.gz PNSIDDPENYMVMV-LLVKDONJSA-N 0 0 435.406 2.844 50 0 IFAARN O=C(Cn1nc(C(=O)N2CCOCC2)cc1C1CC1)N(Cc1ccccc1)c1ccccn1 ZINC000011929901 527415841 /nfs/dbraw/zinc/41/58/41/527415841.db2.gz PAENJQAAWCXNSR-UHFFFAOYSA-N 0 0 445.523 2.861 50 0 IFAARN O=C(Nc1ccccc1F)[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 ZINC000012408212 527422219 /nfs/dbraw/zinc/42/22/19/527422219.db2.gz DGIVXIYMZIBLJI-HNNXBMFYSA-N 0 0 433.443 2.536 50 0 IFAARN O=c1[nH]c2cc3c(cc2c(=O)n1CCc1nc(-c2ccc(C(F)(F)F)cc2)no1)OCO3 ZINC000021873993 527443341 /nfs/dbraw/zinc/44/33/41/527443341.db2.gz WRMHXCBHWGQUMV-UHFFFAOYSA-N 0 0 446.341 2.730 50 0 IFAARN O=c1c2c(ncn2Cc2cccc(F)c2)n(-c2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000034693670 527458766 /nfs/dbraw/zinc/45/87/66/527458766.db2.gz DSZNXKLIEJYWTQ-LJQANCHMSA-N 0 0 438.434 2.854 50 0 IFAARN O=c1c2c(ncn2Cc2ccc(F)cc2F)n(-c2ccccc2)c(=O)n1C[C@H]1CCCO1 ZINC000034693952 527459081 /nfs/dbraw/zinc/45/90/81/527459081.db2.gz NRDIPBPQPKJMGG-GOSISDBHSA-N 0 0 438.434 2.854 50 0 IFAARN Cn1ccnc1[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(F)(F)F ZINC000012550476 527468169 /nfs/dbraw/zinc/46/81/69/527468169.db2.gz MBNHTHPXGHMDHE-HNNXBMFYSA-N 0 0 431.436 2.668 50 0 IFAARN Cc1ncsc1C(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020500253 527477278 /nfs/dbraw/zinc/47/72/78/527477278.db2.gz VJBLSYDQUSMBLG-GOSISDBHSA-N 0 0 428.558 2.603 50 0 IFAARN Cc1nn(-c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)c2c1C(=O)CCC2 ZINC000021652829 527520281 /nfs/dbraw/zinc/52/02/81/527520281.db2.gz FGKICFCTJWAIBY-UHFFFAOYSA-N 0 0 432.480 2.891 50 0 IFAARN O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012805642 527534513 /nfs/dbraw/zinc/53/45/13/527534513.db2.gz OXUQERJAPSVXRV-UHFFFAOYSA-N 0 0 436.559 2.859 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000024091749 527544026 /nfs/dbraw/zinc/54/40/26/527544026.db2.gz HQQQCCSCUPWLDU-IBGZPJMESA-N 0 0 434.452 2.761 50 0 IFAARN Nn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc(Cc2ccccc2)c1=O ZINC000012347927 527584358 /nfs/dbraw/zinc/58/43/58/527584358.db2.gz AKKUWTUPBKKQEJ-UHFFFAOYSA-N 0 0 436.324 2.981 50 0 IFAARN Cn1ncc2c1ncnc2SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000021754662 527588541 /nfs/dbraw/zinc/58/85/41/527588541.db2.gz SFZJCPLSCZBQNY-MRXNPFEDSA-N 0 0 425.514 2.980 50 0 IFAARN Cn1nnc2c1nc(Cc1ccc(Cl)cc1Cl)nc2N1CCC2(CC1)OCCO2 ZINC000020444125 527643224 /nfs/dbraw/zinc/64/32/24/527643224.db2.gz WUKYRDQHGJXMRX-UHFFFAOYSA-N 0 0 435.315 2.999 50 0 IFAARN O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000022637545 527650399 /nfs/dbraw/zinc/65/03/99/527650399.db2.gz MCXSJEOEILOBCB-BQYQJAHWSA-N 0 0 431.445 2.640 50 0 IFAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2 ZINC000021146036 527672631 /nfs/dbraw/zinc/67/26/31/527672631.db2.gz TVLUCWCMXHNMHM-UHFFFAOYSA-N 0 0 425.554 2.778 50 0 IFAARN O=C(NCCCNC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000022471077 527674162 /nfs/dbraw/zinc/67/41/62/527674162.db2.gz VMRVWMQQRPXUQU-UHFFFAOYSA-N 0 0 440.503 2.991 50 0 IFAARN CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O ZINC000004249496 535132341 /nfs/dbraw/zinc/13/23/41/535132341.db2.gz OPRQZPGTIYHVGS-AWEZNQCLSA-N 0 0 427.505 2.502 50 0 IFAARN CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O ZINC000004249495 535133121 /nfs/dbraw/zinc/13/31/21/535133121.db2.gz OPRQZPGTIYHVGS-CQSZACIVSA-N 0 0 427.505 2.502 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1NC(C)=O ZINC000010059487 535390818 /nfs/dbraw/zinc/39/08/18/535390818.db2.gz JTUJAACLSUZPIP-UHFFFAOYSA-N 0 0 433.530 2.563 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2OC)c1 ZINC000009511971 535633743 /nfs/dbraw/zinc/63/37/43/535633743.db2.gz JLZKRYYZBXDWSY-UHFFFAOYSA-N 0 0 447.557 2.815 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000013042372 536111906 /nfs/dbraw/zinc/11/19/06/536111906.db2.gz ZMPSVBMBMDDXDE-UHFFFAOYSA-N 0 0 429.542 2.515 50 0 IFAARN CNC(=O)[C@H]1CN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)c2ccccc2O1 ZINC000009513039 536397440 /nfs/dbraw/zinc/39/74/40/536397440.db2.gz HLHFDHCPMYJVQS-JOCHJYFZSA-N 0 0 427.464 2.633 50 0 IFAARN CN1CCN(c2c3cc4c(cc3ncc2S(=O)(=O)c2ccccc2)OCCO4)CC1 ZINC000002692456 536418391 /nfs/dbraw/zinc/41/83/91/536418391.db2.gz OWDLGYURFKRBKV-UHFFFAOYSA-N 0 0 425.510 2.591 50 0 IFAARN COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c(OC)c1 ZINC000006444376 536674400 /nfs/dbraw/zinc/67/44/00/536674400.db2.gz YJPVGMGQFGRONY-UHFFFAOYSA-N 0 0 447.495 2.504 50 0 IFAARN COc1cc(C2=NO[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1OC ZINC000004056923 536721310 /nfs/dbraw/zinc/72/13/10/536721310.db2.gz QKXAMLBOJCXPTF-OAQYLSRUSA-N 0 0 443.475 2.693 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CCCN(c2ccccc2)S(C)(=O)=O)CC1 ZINC000013568375 537063682 /nfs/dbraw/zinc/06/36/82/537063682.db2.gz VAWPXLPHFKBFHB-UHFFFAOYSA-N 0 0 431.558 2.590 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)CC1 ZINC000009573781 537068587 /nfs/dbraw/zinc/06/85/87/537068587.db2.gz JJNIWSPISYYYAJ-UHFFFAOYSA-N 0 0 434.496 2.521 50 0 IFAARN COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1OC ZINC000009096768 555509262 /nfs/dbraw/zinc/50/92/62/555509262.db2.gz FVCXXEQAENEVOX-RMKNXTFCSA-N 0 0 446.525 2.685 50 0 IFAARN CCOc1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OC ZINC000009124862 555509709 /nfs/dbraw/zinc/50/97/09/555509709.db2.gz SCCYDNRGZPWIKA-UHFFFAOYSA-N 0 0 439.468 2.687 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000000624627 555511987 /nfs/dbraw/zinc/51/19/87/555511987.db2.gz INOKDTWEHYROKC-MUMAZLPKSA-N 0 0 428.510 2.999 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000000624625 555512024 /nfs/dbraw/zinc/51/20/24/555512024.db2.gz INOKDTWEHYROKC-QMJOVRGKSA-N 0 0 428.510 2.999 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1ccccc1 ZINC000000631301 555514892 /nfs/dbraw/zinc/51/48/92/555514892.db2.gz KCOZDSHLHLSRLO-PHJXOXRPSA-N 0 0 434.517 2.807 50 0 IFAARN COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C ZINC000000642316 555518677 /nfs/dbraw/zinc/51/86/77/555518677.db2.gz HSVYZLHRZWRURY-UHFFFAOYSA-N 0 0 429.477 2.624 50 0 IFAARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)cc(OC)c1OC ZINC000000646457 555521122 /nfs/dbraw/zinc/52/11/22/555521122.db2.gz VOZRLNPYBXJLPL-LJQANCHMSA-N 0 0 436.472 2.935 50 0 IFAARN COc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c(OC)c1 ZINC000000647820 555521690 /nfs/dbraw/zinc/52/16/90/555521690.db2.gz QXQFRFQBUJDHLB-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000000652352 555523263 /nfs/dbraw/zinc/52/32/63/555523263.db2.gz ZXMOCSHCQAUKEX-UHFFFAOYSA-N 0 0 426.878 2.540 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000000663830 555527657 /nfs/dbraw/zinc/52/76/57/555527657.db2.gz URJXBABWFGXMRO-UHFFFAOYSA-N 0 0 431.514 2.693 50 0 IFAARN Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc4c(c3)OCO4)n2C)cc1 ZINC000000687553 555540735 /nfs/dbraw/zinc/54/07/35/555540735.db2.gz SXRYOXYSRIWHMQ-UHFFFAOYSA-N 0 0 439.497 2.513 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000000693380 555542357 /nfs/dbraw/zinc/54/23/57/555542357.db2.gz FFNOISLMCFDMHP-SQWSFHKJSA-N 0 0 438.480 2.643 50 0 IFAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)cc(Br)c1O ZINC000000706410 555545077 /nfs/dbraw/zinc/54/50/77/555545077.db2.gz KPZLXCIQQVWELB-IAQYHMDHSA-N 0 0 441.278 2.513 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(CC)cc3)CC2)cc1 ZINC000000709590 555546499 /nfs/dbraw/zinc/54/64/99/555546499.db2.gz KITPQKSGXAKCIP-UHFFFAOYSA-N 0 0 436.599 2.897 50 0 IFAARN COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000000780529 555555021 /nfs/dbraw/zinc/55/50/21/555555021.db2.gz JBRKBXKFDDOCAQ-UHFFFAOYSA-N 0 0 426.469 2.981 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000000784030 555555767 /nfs/dbraw/zinc/55/57/67/555555767.db2.gz FJAFQJWBVRIPTJ-UHFFFAOYSA-N 0 0 432.498 2.506 50 0 IFAARN CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(C)(=O)=O ZINC000000784256 555555856 /nfs/dbraw/zinc/55/58/56/555555856.db2.gz UXINZPIHFFXXNE-UHFFFAOYSA-N 0 0 445.541 2.726 50 0 IFAARN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)N4CCCC4)cc3)C2)cc1 ZINC000000802460 555559348 /nfs/dbraw/zinc/55/93/48/555559348.db2.gz HNQVBAZGAITUDJ-HXUWFJFHSA-N 0 0 435.524 2.666 50 0 IFAARN Cc1nc(S[C@H](C)C(=O)N(C)c2ccccc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000010525578 555561407 /nfs/dbraw/zinc/56/14/07/555561407.db2.gz MGBILXCZAPRQQT-CQSZACIVSA-N 0 0 441.557 2.598 50 0 IFAARN O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000000818380 555563091 /nfs/dbraw/zinc/56/30/91/555563091.db2.gz DOOUQJWJCXODNY-MRXNPFEDSA-N 0 0 437.404 2.866 50 0 IFAARN Cc1nc(SCC(=O)Nc2cccc(Cl)c2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000010525786 555563189 /nfs/dbraw/zinc/56/31/89/555563189.db2.gz QDYSDSHQPRQXGF-UHFFFAOYSA-N 0 0 447.948 2.839 50 0 IFAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)F)cc(Br)c1O ZINC000000844382 555568718 /nfs/dbraw/zinc/56/87/18/555568718.db2.gz ISLOIQQJMXEKEC-LLVKDONJSA-N 0 0 439.184 2.897 50 0 IFAARN COc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(OC)c1 ZINC000000857914 555571688 /nfs/dbraw/zinc/57/16/88/555571688.db2.gz MRPJWXIUEZMWGB-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN CCOC(=O)C1=C(COC(=O)C=Cc2cc(Br)ccc2F)NC(=O)N[C@@H]1C ZINC000009467164 555575910 /nfs/dbraw/zinc/57/59/10/555575910.db2.gz ZUNMKRODPVPJAK-LJJSCBMDSA-N 0 0 441.253 2.663 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000886441 555578854 /nfs/dbraw/zinc/57/88/54/555578854.db2.gz DWRWALACDKYIEY-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OC)cc2OC)c1 ZINC000000909901 555582564 /nfs/dbraw/zinc/58/25/64/555582564.db2.gz VOHJKQMCMRGWHH-HXUWFJFHSA-N 0 0 427.457 2.988 50 0 IFAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)c(OC)c2)c1 ZINC000000909932 555582605 /nfs/dbraw/zinc/58/26/05/555582605.db2.gz JQUJAQRALZSNGT-IBGZPJMESA-N 0 0 429.498 2.850 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000000915916 555583449 /nfs/dbraw/zinc/58/34/49/555583449.db2.gz RDPMPHBWTWNKEL-UHFFFAOYSA-N 0 0 436.658 2.844 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c1C ZINC000009669887 555586214 /nfs/dbraw/zinc/58/62/14/555586214.db2.gz RKJIZEIPSQZICX-UHFFFAOYSA-N 0 0 430.921 2.780 50 0 IFAARN Cc1cccc(OCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1C ZINC000009589524 555592116 /nfs/dbraw/zinc/59/21/16/555592116.db2.gz HTSKXJWGRVHKMY-UHFFFAOYSA-N 0 0 446.525 2.649 50 0 IFAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000000982801 555593955 /nfs/dbraw/zinc/59/39/55/555593955.db2.gz UNGMSEROKWRNTH-INIZCTEOSA-N 0 0 447.557 2.937 50 0 IFAARN CCOC(=O)c1nnn2c1nc(Sc1nnc(-c3ccncc3)n1C)c1ccccc12 ZINC000001035691 555608041 /nfs/dbraw/zinc/60/80/41/555608041.db2.gz CHXMMGWPOXHYNA-UHFFFAOYSA-N 0 0 432.469 2.796 50 0 IFAARN Cn1c(Cc2nc(-c3cnccn3)no2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000001040019 555609726 /nfs/dbraw/zinc/60/97/26/555609726.db2.gz RQKUFBPXSUSTLH-UHFFFAOYSA-N 0 0 442.892 2.630 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000001056967 555614499 /nfs/dbraw/zinc/61/44/99/555614499.db2.gz NDIBQANSHJYEOO-UHFFFAOYSA-N 0 0 432.498 2.650 50 0 IFAARN O=C(CSc1nnnn1-c1ccccc1)Nc1cccc(I)c1 ZINC000001058474 555615366 /nfs/dbraw/zinc/61/53/66/555615366.db2.gz RCKSZYOJDZKXHD-UHFFFAOYSA-N 0 0 437.266 2.998 50 0 IFAARN O=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)Nc1ccccc1F ZINC000046153489 555618365 /nfs/dbraw/zinc/61/83/65/555618365.db2.gz PMGJCFMRWQHRBQ-UHFFFAOYSA-N 0 0 449.280 2.903 50 0 IFAARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(NC(=O)c2ccc(Cl)cc2)C1=S ZINC000001077700 555624994 /nfs/dbraw/zinc/62/49/94/555624994.db2.gz GXVGIPGYMOLXTQ-INIZCTEOSA-N 0 0 430.917 2.831 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2cccs2)cc1 ZINC000001077778 555625038 /nfs/dbraw/zinc/62/50/38/555625038.db2.gz AJFBCUFBSOQSIS-MRXNPFEDSA-N 0 0 431.539 2.881 50 0 IFAARN CCOc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc(OCC)c1OCC ZINC000001088689 555627154 /nfs/dbraw/zinc/62/71/54/555627154.db2.gz LAGHWINMPXHSTD-UHFFFAOYSA-N 0 0 436.530 2.503 50 0 IFAARN COC(=O)c1c2c(sc1NC(=S)N1CCN(c3ncccn3)CC1)C[C@@H](C)CC2 ZINC000001118009 555635571 /nfs/dbraw/zinc/63/55/71/555635571.db2.gz XYERRKCFGODVIM-ZDUSSCGKSA-N 0 0 431.587 2.969 50 0 IFAARN O=C(Nc1ccc(I)cc1C(=O)N1CCOCC1)c1ccco1 ZINC000001121018 555637847 /nfs/dbraw/zinc/63/78/47/555637847.db2.gz ZAELGXLVPNYSKP-UHFFFAOYSA-N 0 0 426.210 2.609 50 0 IFAARN CCCS(=O)(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001124295 555639596 /nfs/dbraw/zinc/63/95/96/555639596.db2.gz UPUBCZPFJZNDLG-UHFFFAOYSA-N 0 0 445.946 2.545 50 0 IFAARN O=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000001126075 555640713 /nfs/dbraw/zinc/64/07/13/555640713.db2.gz SGCCYZOJQLUYRN-UHFFFAOYSA-N 0 0 427.295 2.735 50 0 IFAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000001133200 555645770 /nfs/dbraw/zinc/64/57/70/555645770.db2.gz IPQUPNAASOMRAQ-KRWDZBQOSA-N 0 0 443.525 2.669 50 0 IFAARN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 ZINC000001140538 555649704 /nfs/dbraw/zinc/64/97/04/555649704.db2.gz UFNXVQXNDYJWAR-UHFFFAOYSA-N 0 0 429.542 2.944 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000001151257 555656363 /nfs/dbraw/zinc/65/63/63/555656363.db2.gz UQPBPOQTPMLDCK-SQWSFHKJSA-N 0 0 438.505 2.788 50 0 IFAARN Cc1ccnc(S[C@@H]2CC(=O)N(c3ccccc3I)C2=O)n1 ZINC000001155147 555658439 /nfs/dbraw/zinc/65/84/39/555658439.db2.gz AKAYZUTZQRYVPT-GFCCVEGCSA-N 0 0 425.251 2.814 50 0 IFAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccco4)c(=O)n32)cc1 ZINC000001165585 555663842 /nfs/dbraw/zinc/66/38/42/555663842.db2.gz HEYRKMUTTYGXLP-SQWSFHKJSA-N 0 0 438.505 2.788 50 0 IFAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000001185073 555673672 /nfs/dbraw/zinc/67/36/72/555673672.db2.gz LOCYNMCQPNDDPU-QGZVFWFLSA-N 0 0 429.473 2.569 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 ZINC000001206067 555680592 /nfs/dbraw/zinc/68/05/92/555680592.db2.gz INNCSYOWXGJIFZ-JAORQVBISA-N 0 0 429.501 2.890 50 0 IFAARN CCNC(=S)N(CCc1ccc(OC)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000001211486 555682223 /nfs/dbraw/zinc/68/22/23/555682223.db2.gz VIFBAFNXCRRFSW-IBGZPJMESA-N 0 0 429.517 2.905 50 0 IFAARN Cn1c2nnc(SCC(=O)Nc3ccccn3)n2c2sc3c(c2c1=O)CCCC3 ZINC000001248880 555687502 /nfs/dbraw/zinc/68/75/02/555687502.db2.gz GNLZQPNOAVHWLW-UHFFFAOYSA-N 0 0 426.527 2.647 50 0 IFAARN CCS(=O)(=O)c1c2ccc(C(C)=O)cn2c(C(=O)c2ccccc2)c1S(=O)(=O)CC ZINC000001252896 555687778 /nfs/dbraw/zinc/68/77/78/555687778.db2.gz MGBRRWBRUNXWFE-UHFFFAOYSA-N 0 0 447.534 2.960 50 0 IFAARN COc1ccc(CCN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1OC ZINC000001261300 555688105 /nfs/dbraw/zinc/68/81/05/555688105.db2.gz DOWHGGUYVABZHD-KRWDZBQOSA-N 0 0 445.516 2.842 50 0 IFAARN COc1ccc(CCN2C(=S)N(C)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1OC ZINC000001261299 555688138 /nfs/dbraw/zinc/68/81/38/555688138.db2.gz DOWHGGUYVABZHD-QGZVFWFLSA-N 0 0 445.516 2.842 50 0 IFAARN Cc1cccc2nc(CN3C(=O)N[C@](C)(c4ccc(OC(F)F)cc4)C3=O)cc(=O)n12 ZINC000010537426 555693978 /nfs/dbraw/zinc/69/39/78/555693978.db2.gz SGODOWWVJZAOBG-OAQYLSRUSA-N 0 0 428.395 2.572 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C)cc1OC ZINC000001438651 555697114 /nfs/dbraw/zinc/69/71/14/555697114.db2.gz DCFAZVDOHYHSNQ-CQSZACIVSA-N 0 0 427.526 2.790 50 0 IFAARN COc1ccc(/C=C/C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1OC ZINC000001441126 555697657 /nfs/dbraw/zinc/69/76/57/555697657.db2.gz DTNZXWHEMAZXIL-ONNFQVAWSA-N 0 0 426.469 2.593 50 0 IFAARN COc1ccc(CCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OC ZINC000002071961 555735203 /nfs/dbraw/zinc/73/52/03/555735203.db2.gz WWPSCZQUGZCHOI-UHFFFAOYSA-N 0 0 440.949 2.791 50 0 IFAARN Cc1sc(NC(=O)CCCC(=O)Nc2sc(C)c(C)c2C(N)=O)c(C(N)=O)c1C ZINC000002133702 555747031 /nfs/dbraw/zinc/74/70/31/555747031.db2.gz VDNAKRUIARBLPX-UHFFFAOYSA-N 0 0 436.559 2.989 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000002135633 555747347 /nfs/dbraw/zinc/74/73/47/555747347.db2.gz ARUQFLPYCTVDIM-UHFFFAOYSA-N 0 0 434.326 2.533 50 0 IFAARN Cc1cc2ccccc2n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc12 ZINC000002502423 555784487 /nfs/dbraw/zinc/78/44/87/555784487.db2.gz RFRDIXNAXZJKHJ-UHFFFAOYSA-N 0 0 427.511 2.569 50 0 IFAARN COc1ccccc1NC(=O)COc1c(I)cc(CO)cc1OC ZINC000002554786 555787307 /nfs/dbraw/zinc/78/73/07/555787307.db2.gz VPMFGWOJOJCZRK-UHFFFAOYSA-N 0 0 443.237 2.818 50 0 IFAARN Cc1ccc(N2CCN(c3nc4c(c(N(C)C)n3)CN(C(=O)c3ccco3)CC4)CC2)cc1 ZINC000034676578 555794761 /nfs/dbraw/zinc/79/47/61/555794761.db2.gz TXIFFBJLFQWDRP-UHFFFAOYSA-N 0 0 446.555 2.969 50 0 IFAARN Cc1ccc(F)c(NC(=O)c2coc(CN3CCN(C[C@H](O)COC(C)(C)C)CC3)n2)c1 ZINC000034677338 555795819 /nfs/dbraw/zinc/79/58/19/555795819.db2.gz ZSBQEWIKRSHMAP-KRWDZBQOSA-N 0 0 448.539 2.668 50 0 IFAARN COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(O)n2)cc1 ZINC000002693091 555799377 /nfs/dbraw/zinc/79/93/77/555799377.db2.gz UUKRZSIIDZSUPT-UHFFFAOYSA-N 0 0 431.495 2.754 50 0 IFAARN COCCN(C[C@@H]1CN(C[C@H](O)C(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000034691454 555804067 /nfs/dbraw/zinc/80/40/67/555804067.db2.gz LFWWSUFYDGEFMG-OALUTQOASA-N 0 0 432.483 2.512 50 0 IFAARN O=C(c1ccc(F)cc1)N(CC1CC1)C[C@@H]1CN(C[C@@H](O)COCc2ccco2)CCO1 ZINC000034691663 555804692 /nfs/dbraw/zinc/80/46/92/555804692.db2.gz FWXVHYLVNPISBZ-GGAORHGYSA-N 0 0 446.519 2.549 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2ccc(F)cc2)n(-c2cccc(Cl)c2)c1=O ZINC000034692897 555805340 /nfs/dbraw/zinc/80/53/40/555805340.db2.gz NGHZXHMNZNYJCQ-UHFFFAOYSA-N 0 0 428.851 2.836 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2ccccc2OC)c1=O ZINC000034692996 555805601 /nfs/dbraw/zinc/80/56/01/555805601.db2.gz JNPNZSVIDYMTDO-UHFFFAOYSA-N 0 0 440.887 2.706 50 0 IFAARN CCOC(=O)[C@@H](C)n1cnc2c1c(=O)n(Cc1ccco1)c(=O)n2-c1ccc(Cl)cc1 ZINC000034693713 555808291 /nfs/dbraw/zinc/80/82/91/555808291.db2.gz JGPGWICCNHAPSW-CYBMUJFWSA-N 0 0 442.859 2.768 50 0 IFAARN COCC(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccc(C)cc4)n32)C[C@@H]1C ZINC000034700677 555821321 /nfs/dbraw/zinc/82/13/21/555821321.db2.gz VNCWFCPNCZIWIZ-KRWDZBQOSA-N 0 0 430.512 2.936 50 0 IFAARN COCC(=O)N1CCN(c2nc3ccccc3c3nnc(-c4cccc(OC)c4)n32)C[C@@H]1C ZINC000034706442 555821690 /nfs/dbraw/zinc/82/16/90/555821690.db2.gz LSRISJFCPGWXQG-INIZCTEOSA-N 0 0 446.511 2.637 50 0 IFAARN COCC(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccccc4F)n32)C[C@H]1C ZINC000034707149 555821878 /nfs/dbraw/zinc/82/18/78/555821878.db2.gz NXOFABZHZVEJGF-OAHLLOKOSA-N 0 0 434.475 2.767 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000002841708 555836091 /nfs/dbraw/zinc/83/60/91/555836091.db2.gz OPEVWDWYXGZCEV-UHFFFAOYSA-N 0 0 432.420 2.982 50 0 IFAARN CCn1c(CC(=O)Nc2ccccc2OC)nnc1SCC(=O)Nc1nc(C)cs1 ZINC000002869069 555848989 /nfs/dbraw/zinc/84/89/89/555848989.db2.gz IKHUSXSUQIWEQS-UHFFFAOYSA-N 0 0 446.558 2.984 50 0 IFAARN CN(C)S(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1ccccc1 ZINC000002872459 555850441 /nfs/dbraw/zinc/85/04/41/555850441.db2.gz ZGYVXWZLGGDHFN-UHFFFAOYSA-N 0 0 427.979 2.861 50 0 IFAARN CCCCN1C(=O)[C@](NC(=O)c2ccccc2OC)(C(F)(F)F)C(C(=O)OC)=C1C ZINC000002875723 555852240 /nfs/dbraw/zinc/85/22/40/555852240.db2.gz ATEZTCSAKXQZNA-IBGZPJMESA-N 0 0 428.407 2.815 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)N(C)C[C@@H](O)Cn1cc(C=O)c2ccccc21 ZINC000002882148 555855866 /nfs/dbraw/zinc/85/58/66/555855866.db2.gz VKOMXZQIUFIZIG-MRXNPFEDSA-N 0 0 436.917 2.797 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)cc1 ZINC000002889246 555859408 /nfs/dbraw/zinc/85/94/08/555859408.db2.gz WRBIVSWGOKZUNY-UHFFFAOYSA-N 0 0 445.551 2.836 50 0 IFAARN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O ZINC000002929597 555863819 /nfs/dbraw/zinc/86/38/19/555863819.db2.gz BWUARERBKSTWFQ-SXGWCWSVSA-N 0 0 429.860 2.696 50 0 IFAARN CCOc1ccc(N(CC(=O)NCCOC)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002930456 555864120 /nfs/dbraw/zinc/86/41/20/555864120.db2.gz HCOJZESGVNIXPH-UHFFFAOYSA-N 0 0 426.922 2.697 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1S(=O)(=O)N(C)C ZINC000010545661 555868558 /nfs/dbraw/zinc/86/85/58/555868558.db2.gz DSAXWMKJVQLOPD-MRXNPFEDSA-N 0 0 442.541 2.842 50 0 IFAARN O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCCO ZINC000002984395 555873813 /nfs/dbraw/zinc/87/38/13/555873813.db2.gz JVJXOFBGKHSLQU-UHFFFAOYSA-N 0 0 431.341 2.683 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1cccc(Br)c1 ZINC000002989692 555874917 /nfs/dbraw/zinc/87/49/17/555874917.db2.gz VNZOWYDUSZTSPA-UHFFFAOYSA-N 0 0 447.376 2.858 50 0 IFAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000002995041 555876076 /nfs/dbraw/zinc/87/60/76/555876076.db2.gz BJEIBGNGVVRHGB-GOSISDBHSA-N 0 0 440.924 2.965 50 0 IFAARN COC(=O)c1ccc(NC(=S)N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)cc1 ZINC000003130771 555890244 /nfs/dbraw/zinc/89/02/44/555890244.db2.gz YIZPDFJTQRVDLE-LLVKDONJSA-N 0 0 427.741 2.727 50 0 IFAARN CN1OC[C@@H](S(=O)(=O)N2CCSCC2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000034738994 555890867 /nfs/dbraw/zinc/89/08/67/555890867.db2.gz DJXQFPJWUAXPAG-NHCUHLMSSA-N 0 0 434.583 2.931 50 0 IFAARN C[C@H](C(=O)NCC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000034801131 555907864 /nfs/dbraw/zinc/90/78/64/555907864.db2.gz WVLMSHWORAOCJW-MRXNPFEDSA-N 0 0 427.998 2.731 50 0 IFAARN COc1ccc(OC)c(CC(=O)N2CCc3n[nH]c(C(=O)NCCc4ccccc4)c3C2)c1 ZINC000034831924 555912721 /nfs/dbraw/zinc/91/27/21/555912721.db2.gz FVUIFGMIWVILIT-UHFFFAOYSA-N 0 0 448.523 2.527 50 0 IFAARN C[C@@H](C(=O)NC1CCCCC1)N1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2C ZINC000034793055 555916813 /nfs/dbraw/zinc/91/68/13/555916813.db2.gz LXKPPTAVUKFZOZ-DJJJIMSYSA-N 0 0 430.936 2.970 50 0 IFAARN COc1ccccc1[C@H]1NC(=O)N(C)C2=C1C(=O)N(CC(=O)Nc1ccc(C)c(C)c1)C2 ZINC000034793158 555916863 /nfs/dbraw/zinc/91/68/63/555916863.db2.gz FKBSQYZBEJCVJQ-JOCHJYFZSA-N 0 0 434.496 2.743 50 0 IFAARN C[C@@H](c1ccccc1)N1C(=S)N=NC1c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003529904 555938241 /nfs/dbraw/zinc/93/82/41/555938241.db2.gz ZBWNJENRSLIBSV-HNNXBMFYSA-N 0 0 430.555 2.864 50 0 IFAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(N)s2)c(C(=O)OCC)c1C ZINC000003571136 555939782 /nfs/dbraw/zinc/93/97/82/555939782.db2.gz XVUJIHZXSDGZHC-UHFFFAOYSA-N 0 0 430.533 2.574 50 0 IFAARN COC(=O)c1cn(NC(=O)c2ccc(Br)c(OC)c2)c(=O)c2ccccc12 ZINC000003630762 555941740 /nfs/dbraw/zinc/94/17/40/555941740.db2.gz CZESOCHVAXGWIZ-UHFFFAOYSA-N 0 0 431.242 2.943 50 0 IFAARN COc1ccc(N(CC(=O)NC[C@@H](O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000003664932 555944755 /nfs/dbraw/zinc/94/47/55/555944755.db2.gz UDGBWYODEKFTBJ-JOCHJYFZSA-N 0 0 440.521 2.740 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1cccs1 ZINC000004461309 555995273 /nfs/dbraw/zinc/99/52/73/555995273.db2.gz ZCDRLYKQKVPDRA-QIPHDZALSA-N 0 0 426.519 2.565 50 0 IFAARN CCOC(=O)c1nc2ccccc2nc1N1CCN(C(=O)C(Cl)(Cl)Cl)CC1 ZINC000022653379 556041767 /nfs/dbraw/zinc/04/17/67/556041767.db2.gz QTDQVCQIXVVCMV-UHFFFAOYSA-N 0 0 431.707 2.825 50 0 IFAARN COC(=O)[C@H](Cc1nc2ccccc2[nH]c1=O)C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000005399577 556050773 /nfs/dbraw/zinc/05/07/73/556050773.db2.gz CHIWWIOVGHUPFF-LLVKDONJSA-N 0 0 448.262 2.769 50 0 IFAARN COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)cc(OC)c1OC ZINC000006237894 556081674 /nfs/dbraw/zinc/08/16/74/556081674.db2.gz PYLOPUNCJTVTKB-FQEVSTJZSA-N 0 0 435.484 2.909 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCCSc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000006348646 556085589 /nfs/dbraw/zinc/08/55/89/556085589.db2.gz OTIIQKHFOYPIBA-UHFFFAOYSA-N 0 0 433.477 2.775 50 0 IFAARN O=C(NCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000006492132 556091832 /nfs/dbraw/zinc/09/18/32/556091832.db2.gz HJVBLAAZDWCHSP-AWEZNQCLSA-N 0 0 438.347 2.561 50 0 IFAARN O=C(Cn1c(=O)c2sccc2n(Cc2ccc(Cl)cc2)c1=O)NCc1ccco1 ZINC000002466807 556098822 /nfs/dbraw/zinc/09/88/22/556098822.db2.gz CYEJILMUIADMNY-UHFFFAOYSA-N 0 0 429.885 2.836 50 0 IFAARN CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000010584952 556115068 /nfs/dbraw/zinc/11/50/68/556115068.db2.gz HLZGKZUXBWLWOC-UHFFFAOYSA-N 0 0 444.509 2.859 50 0 IFAARN Cc1nn(C)cc1CN(C)C(=O)c1cnn2c1nc(-c1cn(C)nc1C)cc2C(F)(F)F ZINC000002782464 556138377 /nfs/dbraw/zinc/13/83/77/556138377.db2.gz RFTOASRIIYVITJ-UHFFFAOYSA-N 0 0 446.437 2.771 50 0 IFAARN Cc1c(I)cnn1CCC(=O)N[C@@H](Cn1cccn1)C(C)(C)C ZINC000002778809 556141361 /nfs/dbraw/zinc/14/13/61/556141361.db2.gz FCNUXHXQKKEHJP-AWEZNQCLSA-N 0 0 429.306 2.614 50 0 IFAARN C[C@H]1CCc2c(sc(NC(=O)c3c(I)cnn3C)c2C(N)=O)C1 ZINC000002780882 556141562 /nfs/dbraw/zinc/14/15/62/556141562.db2.gz DSDAXOYCNDQJFV-ZETCQYMHSA-N 0 0 444.298 2.562 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)CC1 ZINC000002805132 556143337 /nfs/dbraw/zinc/14/33/37/556143337.db2.gz QNQARJZLZUJISK-UHFFFAOYSA-N 0 0 431.345 2.848 50 0 IFAARN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000097379371 556143932 /nfs/dbraw/zinc/14/39/32/556143932.db2.gz YSYCZKXMHKCAJO-QWHCGFSZSA-N 0 0 442.891 2.532 50 0 IFAARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)C1 ZINC000002807973 556146341 /nfs/dbraw/zinc/14/63/41/556146341.db2.gz MZVPNCGSOXWIKR-LBPRGKRZSA-N 0 0 431.345 2.848 50 0 IFAARN COC(=O)c1ccc2nc(NC(=O)COC(=O)CSc3nc(C)cc(C)n3)sc2c1 ZINC000002969908 556151929 /nfs/dbraw/zinc/15/19/29/556151929.db2.gz NOQOTXRVLIXJDX-UHFFFAOYSA-N 0 0 446.510 2.764 50 0 IFAARN CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 ZINC000008218164 556153263 /nfs/dbraw/zinc/15/32/63/556153263.db2.gz PMOGPVPJWXUHJI-HNNXBMFYSA-N 0 0 425.485 2.835 50 0 IFAARN Cc1cc(C)n2cc(CN(CCn3cccn3)Cc3cn4c(n3)nc(C)cc4C)nc2n1 ZINC000071921865 556157728 /nfs/dbraw/zinc/15/77/28/556157728.db2.gz KTSGUTFMOQWETN-UHFFFAOYSA-N 0 0 429.532 2.905 50 0 IFAARN COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 ZINC000008430461 556170436 /nfs/dbraw/zinc/17/04/36/556170436.db2.gz VEOGOJLRPOFSCL-UHFFFAOYSA-N 0 0 432.498 2.712 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000008432640 556171746 /nfs/dbraw/zinc/17/17/46/556171746.db2.gz LSQBWNAZHMKJMI-OXRZLYTFSA-N 0 0 426.469 2.839 50 0 IFAARN CCOc1cc([C@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)ccc1O ZINC000008438640 556174580 /nfs/dbraw/zinc/17/45/80/556174580.db2.gz XECKZJRXQSHIAF-IHFIDZABSA-N 0 0 436.501 2.734 50 0 IFAARN CCNC(=O)C[C@H]1C(=O)N(c2cccc(OC)c2)C(=O)N1Cc1ccc(OC)c(OC)c1 ZINC000008599586 556190627 /nfs/dbraw/zinc/19/06/27/556190627.db2.gz PDBBHSXUEFMBLD-SFHVURJKSA-N 0 0 441.484 2.576 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)Cn1c2ccc(S(=O)(=O)N3CCCCC3)cc2oc1=O ZINC000008604787 556191661 /nfs/dbraw/zinc/19/16/61/556191661.db2.gz PKUHPZHSOSYMSO-MRXNPFEDSA-N 0 0 435.546 2.560 50 0 IFAARN CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1 ZINC000010601623 556198545 /nfs/dbraw/zinc/19/85/45/556198545.db2.gz UPCLFANFRVMQSF-UHFFFAOYSA-N 0 0 447.538 2.889 50 0 IFAARN CCNC(=O)C[C@@H]1C(=O)N(c2ccc(C)cc2)C(=O)N1CCc1ccc(OC)c(OC)c1 ZINC000008680392 556198892 /nfs/dbraw/zinc/19/88/92/556198892.db2.gz ANUWZZRTJLBHJH-LJQANCHMSA-N 0 0 439.512 2.918 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000008680755 556199312 /nfs/dbraw/zinc/19/93/12/556199312.db2.gz KEAREMSBHLHVHU-UHFFFAOYSA-N 0 0 445.541 2.567 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3Cc4cc(OC)c(OC)cc4CN3C2=S)cc1 ZINC000008770480 556213376 /nfs/dbraw/zinc/21/33/76/556213376.db2.gz LKSJZPRTSYDNJA-QGZVFWFLSA-N 0 0 426.494 2.939 50 0 IFAARN O=C1C=C(NC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccccc1 ZINC000008771784 556213727 /nfs/dbraw/zinc/21/37/27/556213727.db2.gz SMAWCODUAOENFO-UHFFFAOYSA-N 0 0 445.928 2.540 50 0 IFAARN CCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000008816154 556217424 /nfs/dbraw/zinc/21/74/24/556217424.db2.gz YFOAXAVXLUFTNG-MRXNPFEDSA-N 0 0 445.541 2.765 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008816420 556217762 /nfs/dbraw/zinc/21/77/62/556217762.db2.gz PKEUQUHRXPPKDP-OAHLLOKOSA-N 0 0 431.489 2.602 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008816423 556217780 /nfs/dbraw/zinc/21/77/80/556217780.db2.gz HGCKCNTVZSKLCE-INIZCTEOSA-N 0 0 445.516 2.992 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(CCOc1cccc(C)c1)C2=O ZINC000008843686 556226489 /nfs/dbraw/zinc/22/64/89/556226489.db2.gz HKPWLTTWWYTOIB-QFIPXVFZSA-N 0 0 438.509 2.576 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1cc(C)ccc1N(CCOc1ccccc1)C2=O ZINC000008843702 556226678 /nfs/dbraw/zinc/22/66/78/556226678.db2.gz VARTTYDZMCEQKN-QFIPXVFZSA-N 0 0 438.509 2.576 50 0 IFAARN CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1=O ZINC000008844350 556226700 /nfs/dbraw/zinc/22/67/00/556226700.db2.gz AEDMQEZOVGYYPV-SFHVURJKSA-N 0 0 437.521 2.514 50 0 IFAARN COCCNC(=O)c1cnn2c1N[C@@H](c1ccc(OC)c(OC)c1)C[C@H]2C(F)(F)F ZINC000008926505 556234523 /nfs/dbraw/zinc/23/45/23/556234523.db2.gz HEYBVVWRKFIYPB-CJNGLKHVSA-N 0 0 428.411 2.937 50 0 IFAARN Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1C ZINC000008927524 556234713 /nfs/dbraw/zinc/23/47/13/556234713.db2.gz AIVVVFYTYVBZBV-KRWDZBQOSA-N 0 0 428.872 2.876 50 0 IFAARN O=C(NCCc1cccc(F)c1)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009059476 556243523 /nfs/dbraw/zinc/24/35/23/556243523.db2.gz WIGNBVAGFMPULN-UHFFFAOYSA-N 0 0 448.545 2.590 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)cc1 ZINC000009095634 556246784 /nfs/dbraw/zinc/24/67/84/556246784.db2.gz KMAURBKBNOCNGY-KRWDZBQOSA-N 0 0 447.557 2.760 50 0 IFAARN O=C(NCCCN1CCCC1=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000009134105 556248869 /nfs/dbraw/zinc/24/88/69/556248869.db2.gz GWAUVKRNXHFPRY-WFASDCNBSA-N 0 0 425.411 2.879 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000009190992 556253140 /nfs/dbraw/zinc/25/31/40/556253140.db2.gz AOGGMSFCWJXGDB-UHFFFAOYSA-N 0 0 433.530 2.801 50 0 IFAARN Cc1c2c(nn1-c1ccccc1)c(SCC(=O)N1CCC3(CC1)OCCO3)nnc2C ZINC000009224496 556258072 /nfs/dbraw/zinc/25/80/72/556258072.db2.gz PCDDQZMLIUJEEM-UHFFFAOYSA-N 0 0 439.541 2.890 50 0 IFAARN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000009288715 556273452 /nfs/dbraw/zinc/27/34/52/556273452.db2.gz ISLQNCGHQVXTFC-LSDHHAIUSA-N 0 0 433.505 2.894 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000009304325 556276127 /nfs/dbraw/zinc/27/61/27/556276127.db2.gz RCZKHSSCZFZJHL-CYBMUJFWSA-N 0 0 432.527 2.739 50 0 IFAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N[C@@H]1C=CS(=O)(=O)C1 ZINC000009302909 556276230 /nfs/dbraw/zinc/27/62/30/556276230.db2.gz LEZJLKDPMQACMM-CQSZACIVSA-N 0 0 445.880 2.919 50 0 IFAARN COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N=c3[nH]c4ccccc4[nH]3)CC2)cc1 ZINC000013686117 556276427 /nfs/dbraw/zinc/27/64/27/556276427.db2.gz GJBGNWGYZHUTCN-UHFFFAOYSA-N 0 0 442.541 2.717 50 0 IFAARN COc1ccc(CCn2ccc3c(cnc4nc(-c5cccnc5)nn43)c2=O)cc1OC ZINC000013686202 556276455 /nfs/dbraw/zinc/27/64/55/556276455.db2.gz ZUVVQVPPJCJFPT-UHFFFAOYSA-N 0 0 428.452 2.761 50 0 IFAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccccc4)nn2c1=O)CCCC3)N1CCOCC1 ZINC000013690602 556279987 /nfs/dbraw/zinc/27/99/87/556279987.db2.gz VZBVCXWWGUWKON-UHFFFAOYSA-N 0 0 449.536 2.510 50 0 IFAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)N1CCN(Cc2ccccc2)CC1 ZINC000013691173 556280701 /nfs/dbraw/zinc/28/07/01/556280701.db2.gz CLWNDWNQJPQXRJ-UHFFFAOYSA-N 0 0 446.551 2.846 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(OC)c(OC)c4)ccn3n2)cc1 ZINC000009321153 556281093 /nfs/dbraw/zinc/28/10/93/556281093.db2.gz IPNNJKVWPJEEMY-UHFFFAOYSA-N 0 0 448.479 2.505 50 0 IFAARN COc1cc(C(=S)N2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1OCC(N)=O ZINC000013692297 556281996 /nfs/dbraw/zinc/28/19/96/556281996.db2.gz LYJMWDCOCPHVHJ-UHFFFAOYSA-N 0 0 434.945 2.872 50 0 IFAARN COc1cccc(CNC(=O)Cn2ccn3nc(-c4ccc(OC)c(OC)c4)cc3c2=O)c1 ZINC000009327543 556282091 /nfs/dbraw/zinc/28/20/91/556282091.db2.gz UZMCPHIYPUDBFY-UHFFFAOYSA-N 0 0 448.479 2.505 50 0 IFAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 ZINC000013692575 556282240 /nfs/dbraw/zinc/28/22/40/556282240.db2.gz HONHMLFQBHZDMO-ICSRJNTNSA-N 0 0 446.551 2.884 50 0 IFAARN COc1ccc(-c2cc3ccc(OCC(=O)N4CCC(O)CC4)cc3oc2=O)cc1OC ZINC000013692996 556282607 /nfs/dbraw/zinc/28/26/07/556282607.db2.gz YNGZRJSYXBSUNZ-UHFFFAOYSA-N 0 0 439.464 2.839 50 0 IFAARN COc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000097637765 556283988 /nfs/dbraw/zinc/28/39/88/556283988.db2.gz OGILSLWVJZSOHK-RTWAWAEBSA-N 0 0 442.487 2.558 50 0 IFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(F)c3)C2)c1 ZINC000009381016 556287153 /nfs/dbraw/zinc/28/71/53/556287153.db2.gz ZZFHNSDSCNPPRD-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN O=C(NCc1ccccn1)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000013722992 556291229 /nfs/dbraw/zinc/29/12/29/556291229.db2.gz FGOPKTRZNOELEO-UHFFFAOYSA-N 0 0 441.491 2.790 50 0 IFAARN COc1cc2cc(C(=O)NCCC(=O)Nc3ccc4c(c3)OCO4)[nH]c2c(OC)c1OC ZINC000013722800 556291280 /nfs/dbraw/zinc/29/12/80/556291280.db2.gz GFDFFXAJAQLNKO-UHFFFAOYSA-N 0 0 441.440 2.681 50 0 IFAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NCCc3cccs3)cc1O2 ZINC000013723705 556291918 /nfs/dbraw/zinc/29/19/18/556291918.db2.gz BDEFSACRIGKUIQ-UHFFFAOYSA-N 0 0 442.537 2.832 50 0 IFAARN COc1cc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)ccc1O ZINC000013728449 556294165 /nfs/dbraw/zinc/29/41/65/556294165.db2.gz ALHQOFJOQVBCSN-PGRDOPGGSA-N 0 0 426.494 2.645 50 0 IFAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3ncc(C)s3)cc1O2 ZINC000013728058 556294182 /nfs/dbraw/zinc/29/41/82/556294182.db2.gz DCUXOJBVIIDIAD-UHFFFAOYSA-N 0 0 429.498 2.815 50 0 IFAARN CCn1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(=O)c2cc3c(cc21)OCO3 ZINC000013732417 556296022 /nfs/dbraw/zinc/29/60/22/556296022.db2.gz SPHMPZKJNUGKAV-UHFFFAOYSA-N 0 0 435.480 2.835 50 0 IFAARN O=S1(=O)C[C@@H]2N=C(SCCOc3ccccc3)N(c3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000013731874 556296110 /nfs/dbraw/zinc/29/61/10/556296110.db2.gz MINDMHTZAPEIRD-DLBZAZTESA-N 0 0 432.523 2.569 50 0 IFAARN NS(=O)(=O)c1ccc(CNC(=O)CCn2ccc3cc(Br)ccc32)cc1 ZINC000013732300 556296155 /nfs/dbraw/zinc/29/61/55/556296155.db2.gz JYZSHZSOWNZLMW-UHFFFAOYSA-N 0 0 436.331 2.758 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000009525877 556296372 /nfs/dbraw/zinc/29/63/72/556296372.db2.gz GMXNJWHAPVDEFJ-OAHLLOKOSA-N 0 0 428.416 2.537 50 0 IFAARN COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 ZINC000009525956 556296698 /nfs/dbraw/zinc/29/66/98/556296698.db2.gz RKDKJZMXDZLZLQ-HNNXBMFYSA-N 0 0 444.871 2.970 50 0 IFAARN COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 ZINC000009525955 556296699 /nfs/dbraw/zinc/29/66/99/556296699.db2.gz RKDKJZMXDZLZLQ-OAHLLOKOSA-N 0 0 444.871 2.970 50 0 IFAARN COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 ZINC000009525954 556296721 /nfs/dbraw/zinc/29/67/21/556296721.db2.gz IEUYCBWIGPVDOK-AWEZNQCLSA-N 0 0 430.844 2.661 50 0 IFAARN Cc1cccc(C)c1N1C(=O)C[C@@H](N(O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)C1=O ZINC000013751297 556298998 /nfs/dbraw/zinc/29/89/98/556298998.db2.gz ITTDHQNVGAWNQU-QZTJIDSGSA-N 0 0 435.480 2.575 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)NCCC(C)C)CC2)cc1 ZINC000013751797 556299375 /nfs/dbraw/zinc/29/93/75/556299375.db2.gz MKXALFWQGIMWPE-NRFANRHFSA-N 0 0 449.617 2.549 50 0 IFAARN O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000032741723 556303406 /nfs/dbraw/zinc/30/34/06/556303406.db2.gz UXXMBZLZJQNYRE-NFBKMPQASA-N 0 0 438.505 2.759 50 0 IFAARN O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000032741724 556303429 /nfs/dbraw/zinc/30/34/29/556303429.db2.gz UXXMBZLZJQNYRE-REWPJTCUSA-N 0 0 438.505 2.759 50 0 IFAARN COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)NCc2ccccc2OC)c1 ZINC000009661571 556304568 /nfs/dbraw/zinc/30/45/68/556304568.db2.gz HDFAHRSVCQBDEA-UHFFFAOYSA-N 0 0 432.480 2.724 50 0 IFAARN COc1ccc(-c2nc(COC(=O)c3ccc(S(N)(=O)=O)cc3)cs2)c(OC)c1 ZINC000032738760 556308858 /nfs/dbraw/zinc/30/88/58/556308858.db2.gz ZYUBCEWUHXHBEH-UHFFFAOYSA-N 0 0 434.495 2.832 50 0 IFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccc(S(=O)(=O)N3CCCCC3)cc2oc1=O ZINC000009830603 556311392 /nfs/dbraw/zinc/31/13/92/556311392.db2.gz ODSGEODXBPVPEL-HZPDHXFCSA-N 0 0 435.546 2.559 50 0 IFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)NC2CCCCC2)C1 ZINC000009830721 556311680 /nfs/dbraw/zinc/31/16/80/556311680.db2.gz ORYQUAXNGXDOMN-HOTGVXAUSA-N 0 0 449.573 2.710 50 0 IFAARN COc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3ccccc3C)c2=O)cc1 ZINC000009830952 556311947 /nfs/dbraw/zinc/31/19/47/556311947.db2.gz ZDYDFICQTLKKPA-UHFFFAOYSA-N 0 0 430.464 2.562 50 0 IFAARN COc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3ccc(C)cc3C)c2=O)cc1 ZINC000009830958 556312022 /nfs/dbraw/zinc/31/20/22/556312022.db2.gz KZDDNJRULLHJFH-UHFFFAOYSA-N 0 0 444.491 2.871 50 0 IFAARN COc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CCN(S(C)(=O)=O)CC1 ZINC000013810675 556312299 /nfs/dbraw/zinc/31/22/99/556312299.db2.gz SGCRJODAJONNRS-LJQANCHMSA-N 0 0 427.526 2.990 50 0 IFAARN COC(=O)Cn1c(=O)c2ccccc2nc1SCc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000032752679 556313354 /nfs/dbraw/zinc/31/33/54/556313354.db2.gz PMHYPSGMMAOSCV-UHFFFAOYSA-N 0 0 442.884 2.752 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccccc2)cc1OC ZINC000009846975 556313598 /nfs/dbraw/zinc/31/35/98/556313598.db2.gz KOVNAHCBXTXVGO-UHFFFAOYSA-N 0 0 432.542 2.907 50 0 IFAARN CC(=O)N1CCc2cc(NC(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)ccc21 ZINC000032753087 556314414 /nfs/dbraw/zinc/31/44/14/556314414.db2.gz ILFSMOWDPDHBDD-ICSRJNTNSA-N 0 0 427.501 2.516 50 0 IFAARN CC(C)(C)c1cccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000032745210 556314810 /nfs/dbraw/zinc/31/48/10/556314810.db2.gz WLRARMQDWFKIOQ-UHFFFAOYSA-N 0 0 446.569 2.700 50 0 IFAARN C[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1cc2ccccc2o1 ZINC000032745387 556315262 /nfs/dbraw/zinc/31/52/62/556315262.db2.gz COUALHFXXJZSOR-LBPRGKRZSA-N 0 0 444.538 2.936 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccccc2SC[C@H]2CCCO2)NC(=O)N[C@H]1C ZINC000032747095 556315710 /nfs/dbraw/zinc/31/57/10/556315710.db2.gz HCUCHQZEOIBPPC-UONOGXRCSA-N 0 0 434.514 2.633 50 0 IFAARN CCOC(=O)c1cc(C)n(CC(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)c1C ZINC000032747530 556316210 /nfs/dbraw/zinc/31/62/10/556316210.db2.gz OJEYZFXXIOOMKN-UHFFFAOYSA-N 0 0 443.500 2.540 50 0 IFAARN CCOc1ccc(/C=c2\sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3c2=O)cc1 ZINC000013838468 556317278 /nfs/dbraw/zinc/31/72/78/556317278.db2.gz GYNDXGPXMPRYST-ZDLGFXPLSA-N 0 0 439.493 2.790 50 0 IFAARN C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000032759348 556319104 /nfs/dbraw/zinc/31/91/04/556319104.db2.gz GPZYNFKEXAJXFN-OAHLLOKOSA-N 0 0 439.940 2.663 50 0 IFAARN O=C(c1ccccc1)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000032760754 556321445 /nfs/dbraw/zinc/32/14/45/556321445.db2.gz GJGDQKPNTRZCLF-HXUWFJFHSA-N 0 0 425.916 2.929 50 0 IFAARN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC000013856713 556321449 /nfs/dbraw/zinc/32/14/49/556321449.db2.gz QNUSAGNLXDJSIA-CQSZACIVSA-N 0 0 435.263 2.913 50 0 IFAARN COc1cc2c(cc1OC)CN(CC(=O)NC(=O)Nc1ccc3c(c1)OCCCO3)CC2 ZINC000032753345 556322587 /nfs/dbraw/zinc/32/25/87/556322587.db2.gz XXCKWOXOZGEEJH-UHFFFAOYSA-N 0 0 441.484 2.572 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(I)cc2)cc1 ZINC000010039259 556323376 /nfs/dbraw/zinc/32/33/76/556323376.db2.gz DDBVCNCENWYZJU-GFCCVEGCSA-N 0 0 444.294 2.905 50 0 IFAARN COc1ccc(Cc2nnc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)s2)cc1OC ZINC000010060217 556324677 /nfs/dbraw/zinc/32/46/77/556324677.db2.gz FTZIFMZGPWOXGK-UHFFFAOYSA-N 0 0 447.538 2.867 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@H]2Cc3cc(Cl)ccc3O2)NC(=O)N[C@H]1c1ccco1 ZINC000032776522 556326863 /nfs/dbraw/zinc/32/68/63/556326863.db2.gz INWAIPXFPOTPSH-AEFFLSMTSA-N 0 0 446.843 2.651 50 0 IFAARN Cn1c(SCCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1cccnc1 ZINC000032777099 556327843 /nfs/dbraw/zinc/32/78/43/556327843.db2.gz LTQKKGZWAGCODQ-UHFFFAOYSA-N 0 0 426.521 2.847 50 0 IFAARN COC(=O)c1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010232714 556327948 /nfs/dbraw/zinc/32/79/48/556327948.db2.gz GOSIQNLKQREXQH-KRWDZBQOSA-N 0 0 435.831 2.970 50 0 IFAARN COc1cccc([C@H]2c3c(-c4ccc(OC)c(OC)c4)n[nH]c(=O)c3Nc3nnnn32)c1 ZINC000010297110 556330090 /nfs/dbraw/zinc/33/00/90/556330090.db2.gz WZKIVBSPRABQEO-IBGZPJMESA-N 0 0 433.428 2.556 50 0 IFAARN C[C@@H](Nc1nc2ccccc2s1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000032768638 556333561 /nfs/dbraw/zinc/33/35/61/556333561.db2.gz FVMCVZDMEXQTNK-MRXNPFEDSA-N 0 0 444.582 2.771 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)c(OC)c1 ZINC000032768811 556333565 /nfs/dbraw/zinc/33/35/65/556333565.db2.gz JKFHDGATIYMHHI-LJQANCHMSA-N 0 0 433.530 2.794 50 0 IFAARN CCOc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000010382379 556333774 /nfs/dbraw/zinc/33/37/74/556333774.db2.gz RJSWXUXIBNWNMA-SFHVURJKSA-N 0 0 442.493 2.876 50 0 IFAARN O=C(Nc1cccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1)[C@H]1CCCO1 ZINC000032769417 556334158 /nfs/dbraw/zinc/33/41/58/556334158.db2.gz HGZNVPSTZSCTOE-HXUWFJFHSA-N 0 0 425.460 2.541 50 0 IFAARN C[C@@]1(C2CC2)NC(=O)N(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)C1=O ZINC000032771175 556334742 /nfs/dbraw/zinc/33/47/42/556334742.db2.gz XQXRZRQTCFHBCF-QFIPXVFZSA-N 0 0 425.558 2.606 50 0 IFAARN CCOC(=O)C1=C(CSc2nnc(N)s2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000011151730 556339492 /nfs/dbraw/zinc/33/94/92/556339492.db2.gz LWCFKQVCWKKRNF-GFCCVEGCSA-N 0 0 425.923 2.737 50 0 IFAARN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1Cl ZINC000013943490 556340635 /nfs/dbraw/zinc/34/06/35/556340635.db2.gz UATNFYWCUVHEEM-NSHDSACASA-N 0 0 426.878 2.773 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCCCC3)CC2=O)cc1 ZINC000013944111 556341333 /nfs/dbraw/zinc/34/13/33/556341333.db2.gz OMVDLESNGASDBL-SFHVURJKSA-N 0 0 435.590 2.863 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCCCC3)CC2=O)cc1 ZINC000013944112 556341380 /nfs/dbraw/zinc/34/13/80/556341380.db2.gz OMVDLESNGASDBL-GOSISDBHSA-N 0 0 435.590 2.863 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nncs2)n1C ZINC000013945031 556342620 /nfs/dbraw/zinc/34/26/20/556342620.db2.gz XFLHYKKCPMAGCJ-AWEZNQCLSA-N 0 0 431.547 2.525 50 0 IFAARN COc1ccc(C(=O)N(C)C[C@@H](O)c2ccccc2)cc1OC1CCN(C(C)=O)CC1 ZINC000011754174 556348758 /nfs/dbraw/zinc/34/87/58/556348758.db2.gz BDMPTTGXGYAQDR-OAQYLSRUSA-N 0 0 426.513 2.891 50 0 IFAARN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000032781566 556349558 /nfs/dbraw/zinc/34/95/58/556349558.db2.gz KLURMLCPJAFJSZ-QHCPKHFHSA-N 0 0 446.551 2.926 50 0 IFAARN COc1ccc(F)c(C[C@]2(CCC(=O)N(C)C[C@@H](O)c3ccccc3)CCC(=O)N2)c1 ZINC000011783482 556351740 /nfs/dbraw/zinc/35/17/40/556351740.db2.gz AXCLSLQJVVPSEI-ZJSXRUAMSA-N 0 0 428.504 2.998 50 0 IFAARN COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000013992326 556353126 /nfs/dbraw/zinc/35/31/26/556353126.db2.gz AAQZOZFKDRINQY-UHFFFAOYSA-N 0 0 433.439 2.998 50 0 IFAARN COc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000013992332 556353160 /nfs/dbraw/zinc/35/31/60/556353160.db2.gz IBZBJEQNRVFTBS-UHFFFAOYSA-N 0 0 433.439 2.998 50 0 IFAARN Cc1ccc2c(CC(=O)NC[C@@H]3CCC4(CCN(C(=O)C5CC5)CC4)O3)cc(=O)oc2c1 ZINC000011786776 556353915 /nfs/dbraw/zinc/35/39/15/556353915.db2.gz IVQONFQHEPAPFX-IBGZPJMESA-N 0 0 438.524 2.710 50 0 IFAARN Cc1c(C(=O)NCCc2cccnc2)cnn1-c1nccc(-c2ccc3c(c2)OCO3)n1 ZINC000011790674 556355793 /nfs/dbraw/zinc/35/57/93/556355793.db2.gz VEZMZHDKWWAOHC-UHFFFAOYSA-N 0 0 428.452 2.734 50 0 IFAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCN(C(=O)C3CC3)CC2)cc1 ZINC000014019123 556356253 /nfs/dbraw/zinc/35/62/53/556356253.db2.gz SVTHOBBHQNHIDH-XMMPIXPASA-N 0 0 446.551 2.927 50 0 IFAARN CCCN(CC1CC1)C(=O)C[C@]1(c2ccccc2OC)CC(=O)N(CCCOC)C1=O ZINC000011814359 556357603 /nfs/dbraw/zinc/35/76/03/556357603.db2.gz CHEUQHFNWPUPBZ-XMMPIXPASA-N 0 0 430.545 2.767 50 0 IFAARN Cn1ncc2c1ncn(CC(=O)NC[C@@H](c1cccs1)c1c[nH]c3ccccc31)c2=O ZINC000014050829 556358534 /nfs/dbraw/zinc/35/85/34/556358534.db2.gz NQHBGTXLGKFZFS-MRXNPFEDSA-N 0 0 432.509 2.621 50 0 IFAARN COC(=O)c1c(NC(=O)CN(C)CC(=O)Nc2cccc(OC)c2)sc2c1CCC2 ZINC000014066281 556359216 /nfs/dbraw/zinc/35/92/16/556359216.db2.gz FXIQZAJXFBWVCK-UHFFFAOYSA-N 0 0 431.514 2.541 50 0 IFAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000014076876 556362156 /nfs/dbraw/zinc/36/21/56/556362156.db2.gz ISGSYKYPVMTBFQ-CQSZACIVSA-N 0 0 438.889 2.778 50 0 IFAARN Cn1c(SCCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1ccncc1 ZINC000032801600 556364788 /nfs/dbraw/zinc/36/47/88/556364788.db2.gz ZBMHKNMYNYYXAP-UHFFFAOYSA-N 0 0 426.521 2.847 50 0 IFAARN C[C@H](NC(=O)[C@H](C)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000032805987 556368235 /nfs/dbraw/zinc/36/82/35/556368235.db2.gz SEEIOXKGHDVQFJ-YRPNKDGESA-N 0 0 432.584 2.514 50 0 IFAARN O=C([C@H]1COc2ccccc2O1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000032808567 556368770 /nfs/dbraw/zinc/36/87/70/556368770.db2.gz CZOORTRYKOWXOS-OAQYLSRUSA-N 0 0 428.510 2.590 50 0 IFAARN O=C(COc1ccc(N2CCN(c3ccccn3)CC2)nn1)N[C@@H]1CCCc2ccccc21 ZINC000011872029 556368921 /nfs/dbraw/zinc/36/89/21/556368921.db2.gz UJXHNXHPVXAMGX-OAQYLSRUSA-N 0 0 444.539 2.771 50 0 IFAARN CCN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000014122908 556372487 /nfs/dbraw/zinc/37/24/87/556372487.db2.gz JHMZTYPDXVJCMH-UHFFFAOYSA-N 0 0 433.512 2.901 50 0 IFAARN Cc1nc(N2CCC[C@H](C(=O)N3CCCCCC3)C2)nc2cc(S(C)(=O)=O)ccc12 ZINC000011880963 556372753 /nfs/dbraw/zinc/37/27/53/556372753.db2.gz YBDZBCCWFWGCBF-KRWDZBQOSA-N 0 0 430.574 2.961 50 0 IFAARN Cc1nc(N2CCC[C@@H](C(=O)N3CCCCCC3)C2)nc2cc(S(C)(=O)=O)ccc12 ZINC000011880962 556372864 /nfs/dbraw/zinc/37/28/64/556372864.db2.gz YBDZBCCWFWGCBF-QGZVFWFLSA-N 0 0 430.574 2.961 50 0 IFAARN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN(Cc1ccccc1)C(C)C ZINC000014129414 556374550 /nfs/dbraw/zinc/37/45/50/556374550.db2.gz MTRYYOABXWHNIV-UHFFFAOYSA-N 0 0 447.557 2.808 50 0 IFAARN O=C(COC(=O)CCC1=NC(=O)C2=C3CCCC3S[C@@H]2N1)NCc1ccc(Cl)cc1 ZINC000014136193 556375203 /nfs/dbraw/zinc/37/52/03/556375203.db2.gz SIOMVONNCLDFPR-FPOVZHCZSA-N 0 0 447.944 2.935 50 0 IFAARN COc1ccc2oc(C(=O)OCC(=O)NCC(=O)Nc3cc(C)ccc3OC)c(C)c2c1 ZINC000014141281 556376506 /nfs/dbraw/zinc/37/65/06/556376506.db2.gz JVZSXAIBWUTRPA-UHFFFAOYSA-N 0 0 440.452 2.979 50 0 IFAARN C[C@H]1C(=O)N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000014159493 556378273 /nfs/dbraw/zinc/37/82/73/556378273.db2.gz ZWMJNOPMJLRWAJ-ZDUSSCGKSA-N 0 0 428.876 2.838 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000014162260 556378694 /nfs/dbraw/zinc/37/86/94/556378694.db2.gz VUFKBQQNFVJRIP-DEOSSOPVSA-N 0 0 436.512 2.749 50 0 IFAARN Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)COc3ccc(Br)cc3)C2=O)cc1 ZINC000014167098 556380113 /nfs/dbraw/zinc/38/01/13/556380113.db2.gz QOJUCBGVWNIPGE-JXFKEZNVSA-N 0 0 433.302 2.964 50 0 IFAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)C(=O)N(C3CC3)C1=O)CC2 ZINC000014169523 556380941 /nfs/dbraw/zinc/38/09/41/556380941.db2.gz ANRWEYBWOAMUHG-NRFANRHFSA-N 0 0 435.480 2.562 50 0 IFAARN CCOC(=O)c1cnn(-c2cc(C)ccc2C)c1CNCc1ccc(S(N)(=O)=O)cc1 ZINC000011967427 556382124 /nfs/dbraw/zinc/38/21/24/556382124.db2.gz WCAADFBHVVULAC-UHFFFAOYSA-N 0 0 442.541 2.603 50 0 IFAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000014181805 556382580 /nfs/dbraw/zinc/38/25/80/556382580.db2.gz KJXWYTAVAURERF-XMMPIXPASA-N 0 0 439.512 2.885 50 0 IFAARN COC(=O)[C@H]1CCCCN1Cc1nc2c(C)cccc2c(N2CCCN(C(C)=O)CC2)n1 ZINC000011998256 556384908 /nfs/dbraw/zinc/38/49/08/556384908.db2.gz WTTKFZQKQFUIQV-HXUWFJFHSA-N 0 0 439.560 2.524 50 0 IFAARN COC(=O)c1cc(CNC(=O)c2cccc(OC)c2)cc(NC(=O)c2cc(C)nn2C)c1 ZINC000012021070 556386802 /nfs/dbraw/zinc/38/68/02/556386802.db2.gz FPBLRCPAFGCYKF-UHFFFAOYSA-N 0 0 436.468 2.706 50 0 IFAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014188596 556386988 /nfs/dbraw/zinc/38/69/88/556386988.db2.gz IUKLYFYYOXRSCV-UHFFFAOYSA-N 0 0 429.904 2.533 50 0 IFAARN O=C(c1cc(F)ccc1Br)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000014188975 556387359 /nfs/dbraw/zinc/38/73/59/556387359.db2.gz UXMOPBYXZLYHEX-UHFFFAOYSA-N 0 0 445.285 2.874 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccnn1Cc1ccccc1 ZINC000014190192 556387662 /nfs/dbraw/zinc/38/76/62/556387662.db2.gz USFNNHBDWQLJJV-UHFFFAOYSA-N 0 0 440.525 2.513 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCO2 ZINC000014196508 556387962 /nfs/dbraw/zinc/38/79/62/556387962.db2.gz IGLGGJFFMDGDDU-HXUWFJFHSA-N 0 0 448.497 2.518 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(C(=O)NC(=O)CSc2nc3ccccc3s2)c1 ZINC000032815409 556387973 /nfs/dbraw/zinc/38/79/73/556387973.db2.gz YPKZBIAURFTOTQ-UHFFFAOYSA-N 0 0 435.552 2.595 50 0 IFAARN COc1ccc(CN2CCN(C(=O)[C@H]3CCCN3C(=O)c3cccs3)CC2)cc1OC ZINC000014196734 556388434 /nfs/dbraw/zinc/38/84/34/556388434.db2.gz PUYBFVLYMUNEAZ-GOSISDBHSA-N 0 0 443.569 2.714 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O ZINC000014197345 556388841 /nfs/dbraw/zinc/38/88/41/556388841.db2.gz MJDCBEFWUWPXAO-VWLOTQADSA-N 0 0 447.491 2.541 50 0 IFAARN Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@H](C(=O)N2CCCN(C)CC2)C3)c1C ZINC000012035111 556389574 /nfs/dbraw/zinc/38/95/74/556389574.db2.gz SVCMWQNBVZTMQD-MRXNPFEDSA-N 0 0 440.569 2.921 50 0 IFAARN COc1cccc([C@]2(CC(=O)N3CCC[C@@H](C(C)=O)C3)CC(=O)N(C3CCCC3)C2=O)c1 ZINC000012036708 556390209 /nfs/dbraw/zinc/39/02/09/556390209.db2.gz QLSIPIGBGHBEMF-CJAUYULYSA-N 0 0 440.540 2.852 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)C[C@H](C)O1 ZINC000014201985 556392303 /nfs/dbraw/zinc/39/23/03/556392303.db2.gz MWGSFESCWRAPKO-BETUJISGSA-N 0 0 426.926 2.708 50 0 IFAARN O=c1c2ccccc2nc(CN2CCOCC2)n1C[C@H](O)c1cccc(Br)c1 ZINC000032810176 556395440 /nfs/dbraw/zinc/39/54/40/556395440.db2.gz REHJHZWUZJCBEF-IBGZPJMESA-N 0 0 444.329 2.725 50 0 IFAARN C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000014227931 556395675 /nfs/dbraw/zinc/39/56/75/556395675.db2.gz MZWXRLJTZMSWMI-AWEZNQCLSA-N 0 0 425.435 2.920 50 0 IFAARN O=C(CCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000014228643 556396058 /nfs/dbraw/zinc/39/60/58/556396058.db2.gz GPUCWSKDDHWJFB-QFIPXVFZSA-N 0 0 440.565 2.648 50 0 IFAARN O=C(c1ccccc1SCc1cccs1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014229900 556396692 /nfs/dbraw/zinc/39/66/92/556396692.db2.gz LLCFOCYTISFZCD-MRXNPFEDSA-N 0 0 436.624 2.985 50 0 IFAARN O=C(CNC(=O)C1CCCCC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000014229622 556396714 /nfs/dbraw/zinc/39/67/14/556396714.db2.gz FVDNRKVQXKJSHM-UHFFFAOYSA-N 0 0 428.396 2.851 50 0 IFAARN C[C@H](OC(=O)c1csc(-c2ccccc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000014236959 556399681 /nfs/dbraw/zinc/39/96/81/556399681.db2.gz XMCCSAVAELEPCK-LBPRGKRZSA-N 0 0 431.495 2.642 50 0 IFAARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000014241332 556401761 /nfs/dbraw/zinc/40/17/61/556401761.db2.gz ILDSVHKPTBZSJZ-IBGZPJMESA-N 0 0 441.553 2.962 50 0 IFAARN CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)NC2CCCC2)n(C)c(=O)n3C)CC1 ZINC000064591034 556402698 /nfs/dbraw/zinc/40/26/98/556402698.db2.gz KWMGPTCCUILTAA-UHFFFAOYSA-N 0 0 443.548 2.721 50 0 IFAARN Cn1ncc2c1ncnc2N1CCN(Cn2nc(-c3ccc(Cl)cc3)oc2=S)CC1 ZINC000014242297 556402873 /nfs/dbraw/zinc/40/28/73/556402873.db2.gz HEICFAPWEBSQAK-UHFFFAOYSA-N 0 0 442.936 2.982 50 0 IFAARN O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000014242838 556403484 /nfs/dbraw/zinc/40/34/84/556403484.db2.gz UCNPYFGLLLNOFJ-FQEVSTJZSA-N 0 0 428.510 2.648 50 0 IFAARN C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000014244178 556403927 /nfs/dbraw/zinc/40/39/27/556403927.db2.gz UDMDFYGBPUTXQD-INIZCTEOSA-N 0 0 439.537 2.776 50 0 IFAARN CNC(=O)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000014246694 556406557 /nfs/dbraw/zinc/40/65/57/556406557.db2.gz UEZJHLZRIANZDY-UHFFFAOYSA-N 0 0 443.569 2.883 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)NC(=O)N[C@H]1c1ccccc1 ZINC000014247143 556407190 /nfs/dbraw/zinc/40/71/90/556407190.db2.gz ZMGYXCBJYTWOPB-FQEVSTJZSA-N 0 0 439.468 2.862 50 0 IFAARN COc1ccc(CC[C@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000014254383 556410380 /nfs/dbraw/zinc/41/03/80/556410380.db2.gz UDGFTCCKHILLQE-FATZIPQQSA-N 0 0 439.468 2.694 50 0 IFAARN CON(C)S(=O)(=O)c1ccc(Br)c(C(=O)N2CCc3ccccc3C2)c1 ZINC000014254610 556410423 /nfs/dbraw/zinc/41/04/23/556410423.db2.gz HGXCEWYNPVUURI-UHFFFAOYSA-N 0 0 439.331 2.830 50 0 IFAARN CNC(=O)Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000032832489 556417536 /nfs/dbraw/zinc/41/75/36/556417536.db2.gz YVDPRJIUHPARFS-UHFFFAOYSA-N 0 0 429.542 2.792 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CSC[C@H]2C(=O)NCC(F)(F)F)s1)c1ccco1 ZINC000032833940 556417922 /nfs/dbraw/zinc/41/79/22/556417922.db2.gz YTDXBXIGVXYSSY-VIFPVBQESA-N 0 0 433.433 2.787 50 0 IFAARN COc1cc(CN(C(=O)CCn2nnc3ccccc3c2=O)C2CC2)ccc1OC(F)F ZINC000032836894 556418433 /nfs/dbraw/zinc/41/84/33/556418433.db2.gz PHEHWQVKSNBSHP-UHFFFAOYSA-N 0 0 444.438 2.983 50 0 IFAARN CCCn1c2ccccc2n(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1=O ZINC000032836881 556418465 /nfs/dbraw/zinc/41/84/65/556418465.db2.gz ZSCWEWJNSLUMQH-UHFFFAOYSA-N 0 0 436.560 2.784 50 0 IFAARN O=C(CCc1ccncc1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 ZINC000014531584 556420698 /nfs/dbraw/zinc/42/06/98/556420698.db2.gz RFQAWWRPADHZAN-HSZRJFAPSA-N 0 0 436.556 2.998 50 0 IFAARN CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)CCc2nc3ccccc3[nH]2)CC1=O ZINC000014532799 556421253 /nfs/dbraw/zinc/42/12/53/556421253.db2.gz WEGHFQZDGLMORT-HXUWFJFHSA-N 0 0 449.555 2.803 50 0 IFAARN COCc1ccc(C(=O)N2CC(=O)N(Cc3cccnc3)C[C@H](OCc3ccccc3)C2)o1 ZINC000014532610 556421259 /nfs/dbraw/zinc/42/12/59/556421259.db2.gz OMRXAXDPYFNBET-QFIPXVFZSA-N 0 0 449.507 2.891 50 0 IFAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(Br)cc1F ZINC000012981680 556424486 /nfs/dbraw/zinc/42/44/86/556424486.db2.gz KMGYUBKTQUFAOM-UHFFFAOYSA-N 0 0 432.249 2.599 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)NCc1cccs1 ZINC000012982406 556425056 /nfs/dbraw/zinc/42/50/56/556425056.db2.gz ZBCIASKTRTVZSO-UHFFFAOYSA-N 0 0 429.567 2.524 50 0 IFAARN O=C(Nc1cccc(I)c1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000012983003 556425494 /nfs/dbraw/zinc/42/54/94/556425494.db2.gz YEYHHRBBYRSEOE-UHFFFAOYSA-N 0 0 442.278 2.984 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000032841529 556427085 /nfs/dbraw/zinc/42/70/85/556427085.db2.gz YEFOSSJGUNDBRX-UHFFFAOYSA-N 0 0 431.539 2.769 50 0 IFAARN CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2c(CC)cccc2CC)c1=O ZINC000032682431 556427175 /nfs/dbraw/zinc/42/71/75/556427175.db2.gz IDGDNCDMPNLCRE-UHFFFAOYSA-N 0 0 441.576 2.756 50 0 IFAARN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)C[C@@H](C)O1 ZINC000012989280 556428222 /nfs/dbraw/zinc/42/82/22/556428222.db2.gz NKJIZXGPCKTTOV-HZPDHXFCSA-N 0 0 446.507 2.844 50 0 IFAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000012995026 556430228 /nfs/dbraw/zinc/43/02/28/556430228.db2.gz JMRAEVFSGWFEKB-MRXNPFEDSA-N 0 0 430.526 2.736 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)cc1 ZINC000012995631 556430726 /nfs/dbraw/zinc/43/07/26/556430726.db2.gz UXHVLWUVDGWHPR-UHFFFAOYSA-N 0 0 432.929 2.957 50 0 IFAARN Cn1c(SCC(=O)NCC2(N3CCOCC3)CCCCC2)nnc1-c1ccc(F)cc1 ZINC000014639178 556430770 /nfs/dbraw/zinc/43/07/70/556430770.db2.gz OHUHFZDVYKHHPJ-UHFFFAOYSA-N 0 0 447.580 2.865 50 0 IFAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccnn1Cc1ccccc1Cl ZINC000014643751 556431110 /nfs/dbraw/zinc/43/11/10/556431110.db2.gz VFNGDOHFFJJCKG-UHFFFAOYSA-N 0 0 449.898 2.595 50 0 IFAARN CCS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)CC1 ZINC000012997234 556431616 /nfs/dbraw/zinc/43/16/16/556431616.db2.gz YIAAOHOPQJNUJI-UHFFFAOYSA-N 0 0 439.559 2.828 50 0 IFAARN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012998081 556432156 /nfs/dbraw/zinc/43/21/56/556432156.db2.gz UEYFZXZFIYGLFD-DNBYOKIBSA-N 0 0 449.592 2.606 50 0 IFAARN CCOc1ccc(NC(=O)COc2cccc(CC)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000012998549 556432349 /nfs/dbraw/zinc/43/23/49/556432349.db2.gz LSYYEQNKCYWYNG-UHFFFAOYSA-N 0 0 448.541 2.686 50 0 IFAARN NS(=O)(=O)c1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c(Cl)cc1Cl ZINC000012998587 556432366 /nfs/dbraw/zinc/43/23/66/556432366.db2.gz LNXXVLAYASSVFM-UHFFFAOYSA-N 0 0 442.324 2.919 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c1 ZINC000032856018 556433363 /nfs/dbraw/zinc/43/33/63/556433363.db2.gz QWXKFDCCKWQPQB-QGZVFWFLSA-N 0 0 439.555 2.852 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000032856054 556433678 /nfs/dbraw/zinc/43/36/78/556433678.db2.gz IECLJYXZLMTDLE-VWLOTQADSA-N 0 0 446.507 2.691 50 0 IFAARN O=C(CCSc1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000013002431 556433823 /nfs/dbraw/zinc/43/38/23/556433823.db2.gz PFQDHUMTDDJXNT-UHFFFAOYSA-N 0 0 426.510 2.980 50 0 IFAARN Cc1cc(NC(=O)CN2C(=O)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)n(-c2ccc(F)cc2)n1 ZINC000032858179 556434481 /nfs/dbraw/zinc/43/44/81/556434481.db2.gz UVIOWGKRUULCFO-CXAGYDPISA-N 0 0 441.463 2.628 50 0 IFAARN COc1ccc2c(c1)CCCN2C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000032858306 556434791 /nfs/dbraw/zinc/43/47/91/556434791.db2.gz NBRCXLJOUMZYKA-VWLOTQADSA-N 0 0 433.508 2.930 50 0 IFAARN COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(Cc2cccnc2)C3)cc1 ZINC000014732315 556437152 /nfs/dbraw/zinc/43/71/52/556437152.db2.gz PCAPKNHOCPVMQB-UHFFFAOYSA-N 0 0 431.540 2.980 50 0 IFAARN CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)[C@@H]1CC(=O)OC13CCCCC3)CC2 ZINC000014741849 556439116 /nfs/dbraw/zinc/43/91/16/556439116.db2.gz WVYLQJIVUZBSLM-KRWDZBQOSA-N 0 0 429.517 2.621 50 0 IFAARN Cc1ccc(-n2cc(CN3CCN4C(=O)[C@H](CC5CCCCC5)NC(=O)[C@H]4C3)cn2)cc1 ZINC000014744743 556440366 /nfs/dbraw/zinc/44/03/66/556440366.db2.gz XZZZVFUVWRKDID-XZOQPEGZSA-N 0 0 435.572 2.662 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O ZINC000013027074 556441070 /nfs/dbraw/zinc/44/10/70/556441070.db2.gz ZNYCNXHQWXWVDM-XMMPIXPASA-N 0 0 435.480 2.742 50 0 IFAARN Cc1ccc(CN2CC(=O)N(CCCN3CCCC3=O)C[C@H](OCc3ccccc3)C2)o1 ZINC000014746906 556441477 /nfs/dbraw/zinc/44/14/77/556441477.db2.gz XAUANTOKXIKWPJ-HSZRJFAPSA-N 0 0 439.556 2.830 50 0 IFAARN COc1cc(CN2CC(=O)N(CC(C)C)C[C@@H](OCc3cccnc3)C2)cc2c1OCO2 ZINC000014747008 556441608 /nfs/dbraw/zinc/44/16/08/556441608.db2.gz HSDKCNHRMOOHEI-FQEVSTJZSA-N 0 0 441.528 2.705 50 0 IFAARN COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000028058291 556443293 /nfs/dbraw/zinc/44/32/93/556443293.db2.gz LRSLGQOADWXHNC-QGZVFWFLSA-N 0 0 427.519 2.521 50 0 IFAARN O=C(COc1ccc2c(c1)CCC2)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000013037756 556443278 /nfs/dbraw/zinc/44/32/78/556443278.db2.gz ZPSYNXQBNZLXGY-FQEVSTJZSA-N 0 0 433.508 2.998 50 0 IFAARN C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccccc1 ZINC000013038239 556443808 /nfs/dbraw/zinc/44/38/08/556443808.db2.gz KQZYZZXGUMGHMG-IBGZPJMESA-N 0 0 441.597 2.749 50 0 IFAARN COc1cc(NC(=O)c2ccco2)c(C(=O)OCc2cc(=O)n3ccccc3n2)cc1OC ZINC000014756224 556445149 /nfs/dbraw/zinc/44/51/49/556445149.db2.gz URBWKDACLSFZDA-UHFFFAOYSA-N 0 0 449.419 2.914 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004547079 556445169 /nfs/dbraw/zinc/44/51/69/556445169.db2.gz QZHIYGGERXDICJ-PYZOSGAUSA-N 0 0 426.557 3.000 50 0 IFAARN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)COc1ccc(F)cc1Cl ZINC000011028235 556445640 /nfs/dbraw/zinc/44/56/40/556445640.db2.gz CDTQTNFWZBEGHD-UHFFFAOYSA-N 0 0 444.868 2.769 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2)C1 ZINC000013040009 556445709 /nfs/dbraw/zinc/44/57/09/556445709.db2.gz DSMRSTVBBVSWGB-MRXNPFEDSA-N 0 0 447.532 2.957 50 0 IFAARN CC1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000013040253 556445974 /nfs/dbraw/zinc/44/59/74/556445974.db2.gz QLZGKYZMKXFUSF-UHFFFAOYSA-N 0 0 429.586 2.841 50 0 IFAARN Cc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000013040681 556446199 /nfs/dbraw/zinc/44/61/99/556446199.db2.gz PDWKLCYFETYZDH-NRFANRHFSA-N 0 0 432.542 2.776 50 0 IFAARN O=C(COC(=O)c1cc(Cl)ccc1O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000032859673 556446257 /nfs/dbraw/zinc/44/62/57/556446257.db2.gz HLFRGSUHYLPAPQ-HNNXBMFYSA-N 0 0 429.922 2.551 50 0 IFAARN O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000032859885 556446564 /nfs/dbraw/zinc/44/65/64/556446564.db2.gz KZMIGGKCHZBZPF-UHFFFAOYSA-N 0 0 447.520 2.995 50 0 IFAARN COc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1 ZINC000013041594 556447826 /nfs/dbraw/zinc/44/78/26/556447826.db2.gz BVQSPPXDHDZVJB-UHFFFAOYSA-N 0 0 445.541 2.569 50 0 IFAARN COCCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000032868729 556449178 /nfs/dbraw/zinc/44/91/78/556449178.db2.gz YNRRCJWYHPGHHX-AWEZNQCLSA-N 0 0 431.470 2.579 50 0 IFAARN O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000013057363 556449196 /nfs/dbraw/zinc/44/91/96/556449196.db2.gz XEEDYGJABFFMCR-UHFFFAOYSA-N 0 0 433.505 2.699 50 0 IFAARN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N1CCc2ccccc21 ZINC000013058894 556449746 /nfs/dbraw/zinc/44/97/46/556449746.db2.gz CFIMOTAWJAORCM-UHFFFAOYSA-N 0 0 442.585 2.928 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2cc(-c3ccccc3)no2)cc1 ZINC000032865400 556450517 /nfs/dbraw/zinc/45/05/17/556450517.db2.gz NGRPVDGJEIMSBK-CQSZACIVSA-N 0 0 443.481 2.710 50 0 IFAARN COc1cc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1 ZINC000028301690 556451764 /nfs/dbraw/zinc/45/17/64/556451764.db2.gz KDQIURUJRQBRSU-VOTSOKGWSA-N 0 0 431.441 2.925 50 0 IFAARN Cc1ncsc1CCCNC(=O)CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 ZINC000014879086 556452474 /nfs/dbraw/zinc/45/24/74/556452474.db2.gz XYZSWNBRCSOAPK-QFIPXVFZSA-N 0 0 429.542 2.901 50 0 IFAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SC[C@@]2(C)NC(=O)NC2=O)cc1 ZINC000013068691 556452562 /nfs/dbraw/zinc/45/25/62/556452562.db2.gz DJXLZGCZQZYGHL-RCDICMHDSA-N 0 0 441.509 2.869 50 0 IFAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000013071452 556453449 /nfs/dbraw/zinc/45/34/49/556453449.db2.gz UTVLRWQIVXRYOA-HNNXBMFYSA-N 0 0 435.933 2.503 50 0 IFAARN CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CNCCn1nc(C)cc1C ZINC000014882041 556454024 /nfs/dbraw/zinc/45/40/24/556454024.db2.gz IPSFFIZHTJOIGW-UHFFFAOYSA-N 0 0 448.527 2.504 50 0 IFAARN Cc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000072274811 556454677 /nfs/dbraw/zinc/45/46/77/556454677.db2.gz YSQACWOOFWLPEA-UHFFFAOYSA-N 0 0 437.606 2.808 50 0 IFAARN CCn1nnc2cc(C(=O)N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)ccc21 ZINC000013075541 556455662 /nfs/dbraw/zinc/45/56/62/556455662.db2.gz IUOQDQUSJPATIJ-UHFFFAOYSA-N 0 0 441.557 2.523 50 0 IFAARN CCN1C(=O)C[C@](CC(=O)N2CCC(OC)CC2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000014887737 556455859 /nfs/dbraw/zinc/45/58/59/556455859.db2.gz CGQGLEGAHMRKSR-HXUWFJFHSA-N 0 0 426.435 2.750 50 0 IFAARN Cc1cc2[nH]c(C(=O)OCC(=O)NCc3ccccc3S(=O)(=O)N(C)C)cc2c(C)c1 ZINC000028499824 556456019 /nfs/dbraw/zinc/45/60/19/556456019.db2.gz QKAATSGGTCTMQC-UHFFFAOYSA-N 0 0 443.525 2.508 50 0 IFAARN CC[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1 ZINC000032958551 556456718 /nfs/dbraw/zinc/45/67/18/556456718.db2.gz VSJCWANTVXRCOZ-KRWDZBQOSA-N 0 0 449.573 2.518 50 0 IFAARN CC[C@]1(c2cccc(Cl)c2)NC(=O)N(Cc2cccc(S(=O)(=O)N(C)C)c2)C1=O ZINC000013096620 556457234 /nfs/dbraw/zinc/45/72/34/556457234.db2.gz CEFZGDSLFUBQKJ-HXUWFJFHSA-N 0 0 435.933 2.948 50 0 IFAARN COc1cccc(CN(C)CC(=O)Nc2c(Cl)cc(S(N)(=O)=O)cc2Cl)c1 ZINC000014921797 556458623 /nfs/dbraw/zinc/45/86/23/556458623.db2.gz XOZHHASBAYRDJZ-UHFFFAOYSA-N 0 0 432.329 2.720 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1 ZINC000028694703 556459087 /nfs/dbraw/zinc/45/90/87/556459087.db2.gz HHIYSFANADXIPI-UHFFFAOYSA-N 0 0 432.933 2.765 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1cccc(F)c1 ZINC000013098825 556459366 /nfs/dbraw/zinc/45/93/66/556459366.db2.gz WVFOERGMDDKMND-UHFFFAOYSA-N 0 0 433.505 2.699 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)N1c2ccccc2C[C@H]1C ZINC000028721447 556459513 /nfs/dbraw/zinc/45/95/13/556459513.db2.gz CPQOUQXNDVHRHR-NSYGIPOTSA-N 0 0 443.551 2.940 50 0 IFAARN CCOc1ccccc1N1C[C@H](C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)CC1=O ZINC000028719491 556459521 /nfs/dbraw/zinc/45/95/21/556459521.db2.gz XTNGUBWEJLHNCJ-CYBMUJFWSA-N 0 0 447.417 2.816 50 0 IFAARN CCn1c2ccc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)cc2[nH]c(=O)c1=O ZINC000013101781 556460664 /nfs/dbraw/zinc/46/06/64/556460664.db2.gz LWZKZLGDGRYILQ-SFHVURJKSA-N 0 0 435.480 2.848 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1csc(-c2nc[nH]n2)n1 ZINC000072280539 556461770 /nfs/dbraw/zinc/46/17/70/556461770.db2.gz UAQHNWRUFCZZQB-UHFFFAOYSA-N 0 0 435.307 2.710 50 0 IFAARN COc1cccc(C(=O)NCCNC(=O)Nc2cccc(I)c2)c1 ZINC000072280707 556461997 /nfs/dbraw/zinc/46/19/97/556461997.db2.gz AAJUPNFCGLGKKC-UHFFFAOYSA-N 0 0 439.253 2.851 50 0 IFAARN O=C(CSc1nncn1CCc1cccs1)NCC1(N2CCOCC2)CCCCC1 ZINC000028842244 556462405 /nfs/dbraw/zinc/46/24/05/556462405.db2.gz UOOJIQJCHURGAF-UHFFFAOYSA-N 0 0 449.646 2.826 50 0 IFAARN Cc1cc(N2CCN(CC(=O)N[C@@H](c3nccn3C)c3ccccc3)CC2)nc(C(C)C)n1 ZINC000028936229 556464436 /nfs/dbraw/zinc/46/44/36/556464436.db2.gz FAGFXYIDMSAGCU-HSZRJFAPSA-N 0 0 447.587 2.670 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)c(C)s1 ZINC000014964912 556465316 /nfs/dbraw/zinc/46/53/16/556465316.db2.gz FCAFQXPCCTXPBV-HNNXBMFYSA-N 0 0 436.555 2.924 50 0 IFAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@@]2(CCCc3sccc32)C1=O ZINC000013113111 556466166 /nfs/dbraw/zinc/46/61/66/556466166.db2.gz LUVWFUYTJOUCGW-LAJNKCICSA-N 0 0 427.482 2.630 50 0 IFAARN Cn1nc(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)ccc1=O ZINC000014969506 556466561 /nfs/dbraw/zinc/46/65/61/556466561.db2.gz IDIVOSZVPJHKFM-SFHVURJKSA-N 0 0 430.508 2.730 50 0 IFAARN COc1cc(CN2C[C@H](Sc3ccccn3)C[C@H]2C(=O)NC2CC2)cc2c1OCO2 ZINC000014971441 556467124 /nfs/dbraw/zinc/46/71/24/556467124.db2.gz NQAMHPNHUWNFED-SJORKVTESA-N 0 0 427.526 2.833 50 0 IFAARN CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000013114709 556467329 /nfs/dbraw/zinc/46/73/29/556467329.db2.gz YTNBXFPQNYSKDD-UHFFFAOYSA-N 0 0 445.545 2.703 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(Br)cc1F ZINC000013114875 556467650 /nfs/dbraw/zinc/46/76/50/556467650.db2.gz KAVBHTYXNDGJHW-LJQANCHMSA-N 0 0 432.249 2.920 50 0 IFAARN CCn1c2ccc(C(=O)N[C@H](c3nccn3C)c3ccc(OC)cc3)cc2nc(C)c1=O ZINC000029132731 556468263 /nfs/dbraw/zinc/46/82/63/556468263.db2.gz YZECMQLFXUINGQ-NRFANRHFSA-N 0 0 431.496 2.986 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000029151328 556468485 /nfs/dbraw/zinc/46/84/85/556468485.db2.gz JBZINPJXWPODLS-AWEZNQCLSA-N 0 0 440.928 2.598 50 0 IFAARN Cc1cc2[nH]c(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2c(C)c1 ZINC000029149909 556468495 /nfs/dbraw/zinc/46/84/95/556468495.db2.gz GEPYYXPZLGQDLF-UHFFFAOYSA-N 0 0 433.555 2.797 50 0 IFAARN CN(Cc1nccn1C(F)F)C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000029183302 556469640 /nfs/dbraw/zinc/46/96/40/556469640.db2.gz MOKWDXZKOQUNRV-UHFFFAOYSA-N 0 0 440.248 2.799 50 0 IFAARN Cn1nnnc1SCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000013117378 556469797 /nfs/dbraw/zinc/46/97/97/556469797.db2.gz XAUXVLZTEIOUEV-UHFFFAOYSA-N 0 0 442.570 2.811 50 0 IFAARN CN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000029243526 556470824 /nfs/dbraw/zinc/47/08/24/556470824.db2.gz DOGMXQNQDXZMSE-IBGZPJMESA-N 0 0 430.526 2.662 50 0 IFAARN Cc1ccccc1-n1cnnc1SCCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000032870969 556471608 /nfs/dbraw/zinc/47/16/08/556471608.db2.gz SMCSOLRYSWAHFW-UHFFFAOYSA-N 0 0 445.570 2.947 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccncc3)C2)cc1Cl ZINC000013119421 556471824 /nfs/dbraw/zinc/47/18/24/556471824.db2.gz YQVFLWRJWGDNCM-INIZCTEOSA-N 0 0 437.949 2.851 50 0 IFAARN O=C(c1ccc(N2CCCC2=O)cc1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2cccnc2)C1 ZINC000014985236 556472354 /nfs/dbraw/zinc/47/23/54/556472354.db2.gz XYIFIXUWFSRLLV-IRLDBZIGSA-N 0 0 432.524 2.862 50 0 IFAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000013120707 556472643 /nfs/dbraw/zinc/47/26/43/556472643.db2.gz HWXGFCHNSFKRNC-QFIPXVFZSA-N 0 0 443.459 2.605 50 0 IFAARN CCN(CC)c1nc(O)c(CC(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)s1 ZINC000013120771 556472982 /nfs/dbraw/zinc/47/29/82/556472982.db2.gz RTDROMJXMZDLKY-CYBMUJFWSA-N 0 0 430.452 2.647 50 0 IFAARN Cc1sc2nc(CN3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)[nH]c(=O)c2c1C ZINC000013121572 556474400 /nfs/dbraw/zinc/47/44/00/556474400.db2.gz XWYYAKZYFPMXLF-UHFFFAOYSA-N 0 0 435.553 2.970 50 0 IFAARN Cc1nc(-c2ccc(CCNC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)s2)cs1 ZINC000029439767 556475526 /nfs/dbraw/zinc/47/55/26/556475526.db2.gz NPDIBSMYYLSHME-GOSISDBHSA-N 0 0 439.566 2.959 50 0 IFAARN O=C(CCn1c(=O)oc2ccccc21)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000013127204 556475695 /nfs/dbraw/zinc/47/56/95/556475695.db2.gz HQCCXVNYFSZQFR-UHFFFAOYSA-N 0 0 437.452 2.591 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000013127196 556475784 /nfs/dbraw/zinc/47/57/84/556475784.db2.gz LSWIWYBLZFPMBE-QGZVFWFLSA-N 0 0 426.542 2.689 50 0 IFAARN O=C([C@@H]1CC12CCN(C(=O)[C@@H]1CCCO1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000014993695 556476336 /nfs/dbraw/zinc/47/63/36/556476336.db2.gz KRCUNLWBPDWBSI-SSYIADELSA-N 0 0 437.584 2.652 50 0 IFAARN COc1cc(OC)c(CN2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)c(OC)c1 ZINC000014993638 556476472 /nfs/dbraw/zinc/47/64/72/556476472.db2.gz LNGRAYYPEVEJJD-IBGZPJMESA-N 0 0 445.564 2.586 50 0 IFAARN CCOC(=O)C1=C(CN2CCO[C@@H](c3ccc(F)cc3)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000029539257 556477592 /nfs/dbraw/zinc/47/75/92/556477592.db2.gz NJFLXUQZVZHYAB-UYAOXDASSA-N 0 0 429.448 2.663 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000013128797 556478488 /nfs/dbraw/zinc/47/84/88/556478488.db2.gz VMXAYIZXAPVNAE-FQEVSTJZSA-N 0 0 441.484 2.640 50 0 IFAARN COc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2nc3ccccc3s2)cc1OC ZINC000029604302 556478697 /nfs/dbraw/zinc/47/86/97/556478697.db2.gz IHITUWSOQPPIIE-UHFFFAOYSA-N 0 0 449.554 2.641 50 0 IFAARN COc1ccc([C@@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccccc2OC)c(OC)c1 ZINC000029598308 556478726 /nfs/dbraw/zinc/47/87/26/556478726.db2.gz DLKKXHIMUVXBBX-IBGZPJMESA-N 0 0 441.528 2.758 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)CCNc2nc(-c3ccncc3)nc3ccccc32)C[C@H](C)O1 ZINC000029625491 556479077 /nfs/dbraw/zinc/47/90/77/556479077.db2.gz CKVSNJVNDXVNSE-IYBDPMFKSA-N 0 0 427.530 2.543 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2)cc1 ZINC000013129862 556479535 /nfs/dbraw/zinc/47/95/35/556479535.db2.gz BQIPVQGOVHYDFN-HDICACEKSA-N 0 0 444.553 2.716 50 0 IFAARN O=C(NCCc1cccnc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000029652497 556479863 /nfs/dbraw/zinc/47/98/63/556479863.db2.gz XYJYWGQKMUTEON-UHFFFAOYSA-N 0 0 438.347 2.601 50 0 IFAARN COC(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)OC ZINC000013131487 556480389 /nfs/dbraw/zinc/48/03/89/556480389.db2.gz MUPDZOMHVVBOJC-LJQANCHMSA-N 0 0 429.904 2.898 50 0 IFAARN O=C([C@H]1CCCN(c2cnccn2)C1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000029756703 556481407 /nfs/dbraw/zinc/48/14/07/556481407.db2.gz JJWKQZZKNDWQLQ-SFHVURJKSA-N 0 0 429.952 2.570 50 0 IFAARN Cc1ccccc1-c1noc(CN2CCN(C(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)CC2)n1 ZINC000029835569 556483858 /nfs/dbraw/zinc/48/38/58/556483858.db2.gz RAEVRCBKDSLVSM-IBGZPJMESA-N 0 0 449.486 2.954 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)cc1 ZINC000013137928 556484690 /nfs/dbraw/zinc/48/46/90/556484690.db2.gz PCEQDBQRDQNZRI-UHFFFAOYSA-N 0 0 446.525 2.911 50 0 IFAARN O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000029882922 556485630 /nfs/dbraw/zinc/48/56/30/556485630.db2.gz CFGSVOODOHRPCV-UHFFFAOYSA-N 0 0 443.466 2.546 50 0 IFAARN CNc1snc(C)c1C(=O)OCC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000029899209 556485775 /nfs/dbraw/zinc/48/57/75/556485775.db2.gz GRHPDKLRMSMIKO-UHFFFAOYSA-N 0 0 442.497 2.836 50 0 IFAARN CCCn1c(CCC(=O)NCCCOC)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000029899978 556485876 /nfs/dbraw/zinc/48/58/76/556485876.db2.gz LVLQPFLXWOBQBW-UHFFFAOYSA-N 0 0 438.594 2.562 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000013141484 556486616 /nfs/dbraw/zinc/48/66/16/556486616.db2.gz WPWVKRXNRXHFQK-UHFFFAOYSA-N 0 0 442.440 2.570 50 0 IFAARN CCOc1ccc(NCC(=O)NCCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000029936896 556487049 /nfs/dbraw/zinc/48/70/49/556487049.db2.gz HWINXNJFXGEGIE-UHFFFAOYSA-N 0 0 449.548 2.780 50 0 IFAARN CCNC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000015023936 556488775 /nfs/dbraw/zinc/48/87/75/556488775.db2.gz UZWNMAZSQGJHHC-UHFFFAOYSA-N 0 0 429.542 2.622 50 0 IFAARN COc1ccccc1CCNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000015026240 556488850 /nfs/dbraw/zinc/48/88/50/556488850.db2.gz NNEUWSHGAANVEA-UHFFFAOYSA-N 0 0 438.496 2.733 50 0 IFAARN CCn1c(=O)[nH]c(=O)c2cc(C(=O)Oc3ccc(NC(=O)c4cccc(C)c4)cc3)cnc21 ZINC000030027914 556489467 /nfs/dbraw/zinc/48/94/67/556489467.db2.gz BLCAAUQRIAILCS-UHFFFAOYSA-N 0 0 444.447 2.885 50 0 IFAARN COc1cccc(-n2ccnc2SCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1 ZINC000030031890 556489966 /nfs/dbraw/zinc/48/99/66/556489966.db2.gz OBELOEJJEZZDCK-UHFFFAOYSA-N 0 0 441.538 2.930 50 0 IFAARN CCn1c(SCC(=O)OCC(=O)NC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 ZINC000013149570 556491329 /nfs/dbraw/zinc/49/13/29/556491329.db2.gz POUGDLLVOPHSSQ-UHFFFAOYSA-N 0 0 448.888 2.803 50 0 IFAARN CCOC(=O)c1[nH]c(CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C(=O)OCC)c1C ZINC000013149505 556491341 /nfs/dbraw/zinc/49/13/41/556491341.db2.gz YGXWLWZEOHMXGA-UHFFFAOYSA-N 0 0 426.473 2.545 50 0 IFAARN O=C(COc1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000030256583 556492000 /nfs/dbraw/zinc/49/20/00/556492000.db2.gz IBVLGEHATODJJP-UHFFFAOYSA-N 0 0 440.475 2.708 50 0 IFAARN O=C(CC[C@@H]1CCCN(C(=O)c2cn3ccccc3n2)C1)N1CCN(c2ccccn2)CC1 ZINC000015066188 556492735 /nfs/dbraw/zinc/49/27/35/556492735.db2.gz ICOXOUKIAIWBCU-FQEVSTJZSA-N 0 0 446.555 2.711 50 0 IFAARN CCC(=O)[C@H]1CCCN(Cc2cnc(S(=O)(=O)CCOC)n2Cc2ccccc2)C1 ZINC000015073574 556497786 /nfs/dbraw/zinc/49/77/86/556497786.db2.gz DKOSAOSGOWRZLU-IBGZPJMESA-N 0 0 433.574 2.543 50 0 IFAARN CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)OC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013165086 556498023 /nfs/dbraw/zinc/49/80/23/556498023.db2.gz ODQZMZVBJJPIJC-UHFFFAOYSA-N 0 0 428.514 2.849 50 0 IFAARN COC(=O)c1occc1CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000030593065 556498974 /nfs/dbraw/zinc/49/89/74/556498974.db2.gz JORKEIIEUYQRKX-UHFFFAOYSA-N 0 0 432.420 2.592 50 0 IFAARN Cc1nc(Cc2ccccc2)sc1C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000030597191 556499371 /nfs/dbraw/zinc/49/93/71/556499371.db2.gz MHJFTDGUASYNTC-UHFFFAOYSA-N 0 0 436.585 2.774 50 0 IFAARN CCn1c(=O)[nH]c(=O)c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cnc21 ZINC000030630998 556500293 /nfs/dbraw/zinc/50/02/93/556500293.db2.gz QOYBDUNIIAURFZ-UHFFFAOYSA-N 0 0 428.492 2.990 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3cccnc3N3CCOCC3)cc2)c1C ZINC000030634493 556500705 /nfs/dbraw/zinc/50/07/05/556500705.db2.gz OOKDRGZGJAPRFV-UHFFFAOYSA-N 0 0 449.511 2.519 50 0 IFAARN C[C@@H](CNS(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1)OC12CC3CC(CC(C3)C1)C2 ZINC000015081319 556500990 /nfs/dbraw/zinc/50/09/90/556500990.db2.gz LENCUNYTTMYRJV-WOBADCFVSA-N 0 0 432.586 2.942 50 0 IFAARN O=C(COc1ccccc1F)NCCN(CC(F)(F)F)C(=O)COc1ccccc1F ZINC000072292807 556501127 /nfs/dbraw/zinc/50/11/27/556501127.db2.gz SYRQVDDGBBVGLQ-UHFFFAOYSA-N 0 0 446.372 2.930 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CSCCOC(=O)c2cc3ccccc3o2)cc1 ZINC000013401466 556504630 /nfs/dbraw/zinc/50/46/30/556504630.db2.gz FCRFPTRCIBDMAW-UHFFFAOYSA-N 0 0 434.495 2.609 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000013483733 556508232 /nfs/dbraw/zinc/50/82/32/556508232.db2.gz RQTICJLLMIKRQW-LJQANCHMSA-N 0 0 436.505 2.715 50 0 IFAARN CCn1nnc2cc(C(=O)N3CCN([C@H](C(=O)OC)c4ccccc4Cl)CC3)ccc21 ZINC000032882065 556508464 /nfs/dbraw/zinc/50/84/64/556508464.db2.gz YUFVRKKRMBOQFM-FQEVSTJZSA-N 0 0 441.919 2.777 50 0 IFAARN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccccn1 ZINC000013494704 556508845 /nfs/dbraw/zinc/50/88/45/556508845.db2.gz AHUGSRSMOUCUGP-UHFFFAOYSA-N 0 0 425.510 2.564 50 0 IFAARN COc1ccc(CN2CCc3cc(S(N)(=O)=O)ccc32)c(Br)c1OC ZINC000059808846 556509044 /nfs/dbraw/zinc/50/90/44/556509044.db2.gz OTJKJYPXZDIHEY-UHFFFAOYSA-N 0 0 427.320 2.676 50 0 IFAARN COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000015227893 556512654 /nfs/dbraw/zinc/51/26/54/556512654.db2.gz JLWMTNHSPTZWBE-UHFFFAOYSA-N 0 0 438.571 2.687 50 0 IFAARN COc1ccc(/C=C2\SC(=N)NC2=O)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000015277334 556514860 /nfs/dbraw/zinc/51/48/60/556514860.db2.gz CFVTUIUBHDHEKD-YVLHZVERSA-N 0 0 447.494 2.560 50 0 IFAARN CCc1ccc(N2C[C@H](C(=O)N3CCN(CCCOCC(F)(F)F)CC3)CC2=O)cc1 ZINC000060100849 556515896 /nfs/dbraw/zinc/51/58/96/556515896.db2.gz JYJQSFBWZNAHTN-GOSISDBHSA-N 0 0 441.494 2.715 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 ZINC000013554774 556515883 /nfs/dbraw/zinc/51/58/83/556515883.db2.gz JFPWEJKDXXSSSY-DMPWYTOCSA-N 0 0 443.544 2.748 50 0 IFAARN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 ZINC000030939124 556515967 /nfs/dbraw/zinc/51/59/67/556515967.db2.gz SIVIEVNSQWVKPD-KRWDZBQOSA-N 0 0 438.889 2.682 50 0 IFAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000015314433 556518513 /nfs/dbraw/zinc/51/85/13/556518513.db2.gz OYXOEWHWYKRPBZ-OQOKOFKUSA-N 0 0 445.629 2.957 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2nc3ccccc3s2)C(C)C)cc1 ZINC000030972761 556518544 /nfs/dbraw/zinc/51/85/44/556518544.db2.gz BYVRYJSNPKPMRE-IBGZPJMESA-N 0 0 433.555 2.924 50 0 IFAARN CCOC(=O)C1=C(CSc2nnc(N)s2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000013566259 556519143 /nfs/dbraw/zinc/51/91/43/556519143.db2.gz SFASTPMVWDRHJS-LBPRGKRZSA-N 0 0 425.923 2.737 50 0 IFAARN COCCn1c(=O)c2cccnc2nc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000032891518 556519229 /nfs/dbraw/zinc/51/92/29/556519229.db2.gz JSWVMZRCNDJPIO-UHFFFAOYSA-N 0 0 434.905 2.831 50 0 IFAARN COc1cc(NC(=O)[C@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)cc(OC)c1OC ZINC000032891660 556519570 /nfs/dbraw/zinc/51/95/70/556519570.db2.gz OCQQFPDLCXUBSB-CRAIPNDOSA-N 0 0 434.489 2.633 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccccc1Cn1ccnc1 ZINC000032893100 556520762 /nfs/dbraw/zinc/52/07/62/556520762.db2.gz UEUYZAGEKSYVDQ-UHFFFAOYSA-N 0 0 443.433 2.864 50 0 IFAARN CCOc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1OCC ZINC000015326755 556521548 /nfs/dbraw/zinc/52/15/48/556521548.db2.gz WLOWKVWLJHWUFX-UHFFFAOYSA-N 0 0 432.542 2.914 50 0 IFAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)c1 ZINC000015359985 556522883 /nfs/dbraw/zinc/52/28/83/556522883.db2.gz JZRDKLZVIJMHAA-INIZCTEOSA-N 0 0 439.486 2.914 50 0 IFAARN Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)CCCn2cncn2)c2ccccc2)c(C)c1 ZINC000072297595 556522951 /nfs/dbraw/zinc/52/29/51/556522951.db2.gz CWKMOADSNOSSTL-HXUWFJFHSA-N 0 0 441.557 2.511 50 0 IFAARN Cc1ccc(-c2c3c(c4n2CCO[C@@H]4c2ccc(O)cc2O)n(C)c(=O)n(C)c3=O)cc1 ZINC000013573694 556524104 /nfs/dbraw/zinc/52/41/04/556524104.db2.gz YZAHDKDVTSFXDB-JOCHJYFZSA-N 0 0 433.464 2.545 50 0 IFAARN CCC(CC)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC ZINC000072300933 556524183 /nfs/dbraw/zinc/52/41/83/556524183.db2.gz PFGPCJULANCBDK-YKSBVNFPSA-N 0 0 439.512 2.701 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@@H]4c2ccccc2O)n(C)c(=O)n(C)c3=O)cc1 ZINC000013575667 556525653 /nfs/dbraw/zinc/52/56/53/556525653.db2.gz VRISDNOVBZZIIK-JOCHJYFZSA-N 0 0 433.464 2.540 50 0 IFAARN O=C1CN(c2ccc3c(c2)OCCO3)C(=O)[C@H](c2ccco2)N1c1ccc2c(c1)OCCO2 ZINC000015413488 556526386 /nfs/dbraw/zinc/52/63/86/556526386.db2.gz PQSFFRRFHYCBOC-QHCPKHFHSA-N 0 0 448.431 2.943 50 0 IFAARN COc1ccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)cc1 ZINC000015475284 556529713 /nfs/dbraw/zinc/52/97/13/556529713.db2.gz CYXBYSSMUZIIGH-UHFFFAOYSA-N 0 0 438.553 2.830 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)C2)cc1 ZINC000032104891 556529798 /nfs/dbraw/zinc/52/97/98/556529798.db2.gz USTKYVMXYFKFID-OAHLLOKOSA-N 0 0 448.449 2.727 50 0 IFAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCC(=O)N1CCCC1 ZINC000032721358 556531999 /nfs/dbraw/zinc/53/19/99/556531999.db2.gz CRFABGANSYWRGD-UHFFFAOYSA-N 0 0 449.507 2.624 50 0 IFAARN O=C(NCCc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015525436 556533193 /nfs/dbraw/zinc/53/31/93/556533193.db2.gz LQYWYXNCZFUDRJ-UHFFFAOYSA-N 0 0 441.475 2.964 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2cc(F)ccc2s1 ZINC000015537364 556533540 /nfs/dbraw/zinc/53/35/40/556533540.db2.gz IEJCRKZTYVRZLI-UHFFFAOYSA-N 0 0 434.514 2.991 50 0 IFAARN CCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000013608727 556533852 /nfs/dbraw/zinc/53/38/52/556533852.db2.gz BSRIXMREXABMOF-IBGZPJMESA-N 0 0 449.507 2.616 50 0 IFAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)CN1C[C@@H](C(=O)NC)Oc2ccccc21 ZINC000015546655 556534417 /nfs/dbraw/zinc/53/44/17/556534417.db2.gz MWDVEBOGMCNPMT-KRWDZBQOSA-N 0 0 443.525 2.754 50 0 IFAARN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000059811860 556535287 /nfs/dbraw/zinc/53/52/87/556535287.db2.gz FLZOBBBEFHTFEB-CYBMUJFWSA-N 0 0 446.356 2.507 50 0 IFAARN CS(=O)(=O)CC[C@H](C(=O)Nc1cccc2c1CCCC2)N1C(=O)c2ccccc2C1=O ZINC000015582639 556535950 /nfs/dbraw/zinc/53/59/50/556535950.db2.gz USYJUKQPYUWSPT-HXUWFJFHSA-N 0 0 440.521 2.603 50 0 IFAARN Cc1ccc(NC(=O)CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000013624268 556536548 /nfs/dbraw/zinc/53/65/48/556536548.db2.gz BMMPFCXNJUZBPB-UHFFFAOYSA-N 0 0 429.542 2.541 50 0 IFAARN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000032901579 556536714 /nfs/dbraw/zinc/53/67/14/556536714.db2.gz ZHMUBEXSESNLJU-UHFFFAOYSA-N 0 0 440.525 2.893 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCCOc3ccccc3)cc2)C[C@H](C)O1 ZINC000011085926 556537448 /nfs/dbraw/zinc/53/74/48/556537448.db2.gz CXLJJRZYIWRXOT-HDICACEKSA-N 0 0 432.542 2.683 50 0 IFAARN CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@H]1NC(=O)NC1=O)c1ccc(C)cc1 ZINC000004571495 556537394 /nfs/dbraw/zinc/53/73/94/556537394.db2.gz YDFBUWZDJQSEFH-JPYJTQIMSA-N 0 0 428.533 2.544 50 0 IFAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(C)cc1 ZINC000004571503 556537447 /nfs/dbraw/zinc/53/74/47/556537447.db2.gz YDFBUWZDJQSEFH-FDDCHVKYSA-N 0 0 428.533 2.544 50 0 IFAARN CCOCCCNC(=O)[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(OC)cc1 ZINC000004571780 556538002 /nfs/dbraw/zinc/53/80/02/556538002.db2.gz WBBIZZIQWORWJY-OAQYLSRUSA-N 0 0 427.501 2.668 50 0 IFAARN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000032719775 556538531 /nfs/dbraw/zinc/53/85/31/556538531.db2.gz OUWXFOTWDNVJJX-SFHVURJKSA-N 0 0 447.557 2.813 50 0 IFAARN COc1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1 ZINC000015616967 556538647 /nfs/dbraw/zinc/53/86/47/556538647.db2.gz QFALQOAUTFFGSY-HNNXBMFYSA-N 0 0 447.941 2.921 50 0 IFAARN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000032902069 556538891 /nfs/dbraw/zinc/53/88/91/556538891.db2.gz YRHKTBXGKHEABA-UHFFFAOYSA-N 0 0 445.570 2.993 50 0 IFAARN O=C(CSc1nccc(C(F)(F)F)n1)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000032903206 556539332 /nfs/dbraw/zinc/53/93/32/556539332.db2.gz IKIMVKLBVJCKCC-OAHLLOKOSA-N 0 0 426.464 2.605 50 0 IFAARN CCCNC(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000071184904 556540847 /nfs/dbraw/zinc/54/08/47/556540847.db2.gz MWZNUUAPJNFBKI-GOSISDBHSA-N 0 0 435.952 2.718 50 0 IFAARN C[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1Br ZINC000015686652 556543270 /nfs/dbraw/zinc/54/32/70/556543270.db2.gz PYEANKCHPQFRQE-GFCCVEGCSA-N 0 0 436.331 2.755 50 0 IFAARN O=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000015692932 556543763 /nfs/dbraw/zinc/54/37/63/556543763.db2.gz DABUYQAMPJNSNS-UHFFFAOYSA-N 0 0 442.946 2.710 50 0 IFAARN COc1ccc(S(=O)(=O)NCCN(C)c2ccccc2)cc1C(=O)N1CCCCC1 ZINC000013646291 556543878 /nfs/dbraw/zinc/54/38/78/556543878.db2.gz VKIGMALJKUEZDV-UHFFFAOYSA-N 0 0 431.558 2.736 50 0 IFAARN COCCOC[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000072303085 556546855 /nfs/dbraw/zinc/54/68/55/556546855.db2.gz SCCKHZATETZCKF-CQSZACIVSA-N 0 0 432.970 2.542 50 0 IFAARN COc1cc(OC)cc(-c2nnc(SCC(=O)NC[C@@H](C)c3ccccc3)n2N)c1 ZINC000032721602 556547249 /nfs/dbraw/zinc/54/72/49/556547249.db2.gz XBMWWRMIZXBXKG-CQSZACIVSA-N 0 0 427.530 2.688 50 0 IFAARN Cc1nc(C)n(C[C@H]2CN(C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)CCO2)n1 ZINC000072303621 556547426 /nfs/dbraw/zinc/54/74/26/556547426.db2.gz XYEPZAKYOHVJSO-GOSISDBHSA-N 0 0 449.540 2.745 50 0 IFAARN Cc1c2cccc(F)c2oc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000032722515 556547989 /nfs/dbraw/zinc/54/79/89/556547989.db2.gz OLPVNONEBLZELP-UHFFFAOYSA-N 0 0 432.473 2.831 50 0 IFAARN CCOc1ccc(-c2nc(COC(=O)[C@@H]3CCCN3S(C)(=O)=O)cs2)cc1OC ZINC000032724149 556548441 /nfs/dbraw/zinc/54/84/41/556548441.db2.gz QGHKTSCOAWGRTO-HNNXBMFYSA-N 0 0 440.543 2.685 50 0 IFAARN COc1ccc(S(=O)(=O)NCCCN2CCc3ccccc32)cc1C(=O)N1CCCC1 ZINC000013676143 556554219 /nfs/dbraw/zinc/55/42/19/556554219.db2.gz MWQJHPFMENJYQH-UHFFFAOYSA-N 0 0 443.569 2.662 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc43)CC2)cc1OC ZINC000015832699 556554974 /nfs/dbraw/zinc/55/49/74/556554974.db2.gz UQNOJGDGTBBUJU-UHFFFAOYSA-N 0 0 443.525 2.640 50 0 IFAARN COC(=O)C1=C(CSc2nc3ncccn3n2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 ZINC000032906028 556557280 /nfs/dbraw/zinc/55/72/80/556557280.db2.gz SGHMAQVSZPEENN-KRWDZBQOSA-N 0 0 436.497 2.572 50 0 IFAARN COc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccc(C)cc3)[nH]c2=O)cc1 ZINC000015882077 556561231 /nfs/dbraw/zinc/56/12/31/556561231.db2.gz UUYOIIKLJQNGGX-UHFFFAOYSA-N 0 0 436.497 2.864 50 0 IFAARN Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCO)c2C)c(Br)c1 ZINC000072307281 556562197 /nfs/dbraw/zinc/56/21/97/556562197.db2.gz SUZLCAWLPZDYIT-UHFFFAOYSA-N 0 0 427.320 2.589 50 0 IFAARN COC(=O)CCOc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000072307368 556562330 /nfs/dbraw/zinc/56/23/30/556562330.db2.gz PJJWWMJWGQWAKD-UHFFFAOYSA-N 0 0 432.498 2.639 50 0 IFAARN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000015919208 556563633 /nfs/dbraw/zinc/56/36/33/556563633.db2.gz RKNJENQBPATLNV-UHFFFAOYSA-N 0 0 437.949 2.684 50 0 IFAARN C[C@@H](NC(=O)CSCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 ZINC000032907778 556563639 /nfs/dbraw/zinc/56/36/39/556563639.db2.gz GNLUTECKODFHEL-CQSZACIVSA-N 0 0 426.494 2.664 50 0 IFAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCC(NC(N)=O)CC2)sc2c1CC[C@@H](C)C2 ZINC000072308777 556567384 /nfs/dbraw/zinc/56/73/84/556567384.db2.gz SFOXTIYZTBPENW-CHWSQXEVSA-N 0 0 436.578 2.509 50 0 IFAARN CCOc1ccccc1C(=O)Nc1nnc(CNS(=O)(=O)c2ccc(C)cc2)s1 ZINC000001154295 556574241 /nfs/dbraw/zinc/57/42/41/556574241.db2.gz ZJEPYIGDQREEIN-UHFFFAOYSA-N 0 0 432.527 2.976 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCCCN1CCCC1=O ZINC000032910354 556574785 /nfs/dbraw/zinc/57/47/85/556574785.db2.gz OLVCVIISCVPXJM-UHFFFAOYSA-N 0 0 436.537 2.607 50 0 IFAARN CCOC(=O)C1=C(CSc2nc3nc(C)cc(C)n3n2)NC(=O)N[C@H]1c1ccccc1 ZINC000032910396 556575001 /nfs/dbraw/zinc/57/50/01/556575001.db2.gz FPEYFVQUFAMUDB-KRWDZBQOSA-N 0 0 438.513 2.705 50 0 IFAARN COc1ccc(NC(=O)C2(NC(=O)CN3CCCCCCC3=O)CCCC2)cc1OC ZINC000072310331 556575724 /nfs/dbraw/zinc/57/57/24/556575724.db2.gz UOGDWCZLBJAGKV-UHFFFAOYSA-N 0 0 431.533 2.864 50 0 IFAARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NC(=O)NC1CCCCC1 ZINC000032910446 556575981 /nfs/dbraw/zinc/57/59/81/556575981.db2.gz AJQSNCXZLHSPER-ZDUSSCGKSA-N 0 0 440.529 2.748 50 0 IFAARN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000016047175 556580628 /nfs/dbraw/zinc/58/06/28/556580628.db2.gz BCQWUYCSUSKCOC-SJKOYZFVSA-N 0 0 436.434 2.820 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)n1 ZINC000016047016 556580633 /nfs/dbraw/zinc/58/06/33/556580633.db2.gz OPWRJCUFWLOHBF-HSZRJFAPSA-N 0 0 429.484 2.789 50 0 IFAARN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000016047173 556580667 /nfs/dbraw/zinc/58/06/67/556580667.db2.gz BCQWUYCSUSKCOC-PXAZEXFGSA-N 0 0 436.434 2.820 50 0 IFAARN COc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc(OC)c1 ZINC000032910897 556581734 /nfs/dbraw/zinc/58/17/34/556581734.db2.gz CMHLOKQWHWKIKI-ZDUSSCGKSA-N 0 0 426.425 2.541 50 0 IFAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccccc2Br)c1 ZINC000016100020 556583011 /nfs/dbraw/zinc/58/30/11/556583011.db2.gz DFYATADBGMQRIE-UHFFFAOYSA-N 0 0 428.260 2.823 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)NCC1CCCCC1 ZINC000034857697 556584018 /nfs/dbraw/zinc/58/40/18/556584018.db2.gz OPIWNBIBISNEJM-UHFFFAOYSA-N 0 0 433.618 2.568 50 0 IFAARN CCCCN1c2ccccc2/C(=c2/sc3nc(-c4ccc(OC)cc4)nn3c2=O)C1=O ZINC000016115972 556584086 /nfs/dbraw/zinc/58/40/86/556584086.db2.gz CZKARDOWEVPKEQ-HNENSFHCSA-N 0 0 432.505 2.891 50 0 IFAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN1CCN(c2ncccn2)CC1 ZINC000034878624 556585355 /nfs/dbraw/zinc/58/53/55/556585355.db2.gz XGCLJHUZSDYYQI-UHFFFAOYSA-N 0 0 431.562 2.674 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)c4c(c3)OCCO4)CC2)s1 ZINC000016146563 556585469 /nfs/dbraw/zinc/58/54/69/556585469.db2.gz WWLNTYRJVLQYJH-UHFFFAOYSA-N 0 0 442.946 2.628 50 0 IFAARN COc1ccc([C@H](CC(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)NC(C)=O)cc1 ZINC000034889327 556585798 /nfs/dbraw/zinc/58/57/98/556585798.db2.gz IXGMUYSZOBZELX-SXGZJXTBSA-N 0 0 446.573 2.967 50 0 IFAARN CCOc1ccc(OCCSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 ZINC000034892408 556586060 /nfs/dbraw/zinc/58/60/60/556586060.db2.gz IKZVVXBNEJJCJM-UHFFFAOYSA-N 0 0 437.587 2.588 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCCC[C@@H]3C)c2)CC1 ZINC000032969003 556588041 /nfs/dbraw/zinc/58/80/41/556588041.db2.gz VFTPXGHEOWSUJS-KXBFYZLASA-N 0 0 427.998 2.975 50 0 IFAARN CC(C)N(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)C1CC1 ZINC000036072616 556592226 /nfs/dbraw/zinc/59/22/26/556592226.db2.gz SBZVBAGQJZSTTN-UHFFFAOYSA-N 0 0 425.508 2.578 50 0 IFAARN O=C(Nc1cccc(F)c1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085941 556592779 /nfs/dbraw/zinc/59/27/79/556592779.db2.gz OOYYHGSOZNAWEX-UHFFFAOYSA-N 0 0 434.402 2.973 50 0 IFAARN O=C(Nc1ccccc1)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036085318 556592867 /nfs/dbraw/zinc/59/28/67/556592867.db2.gz VCTWPTNBQBZGEJ-UHFFFAOYSA-N 0 0 434.402 2.973 50 0 IFAARN CCNC(=S)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)N[C@H](C)CC)CC1 ZINC000036214447 556594830 /nfs/dbraw/zinc/59/48/30/556594830.db2.gz ZEIJIDKLOGEYOY-KDOFPFPSSA-N 0 0 439.025 2.960 50 0 IFAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCc1ccc(F)c2cccnc12 ZINC000032913748 556594907 /nfs/dbraw/zinc/59/49/07/556594907.db2.gz AFKLNGWHIFORNI-UHFFFAOYSA-N 0 0 427.457 2.936 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)ccc1F ZINC000036636303 556599359 /nfs/dbraw/zinc/59/93/59/556599359.db2.gz NLRLOLSYOSWACO-UHFFFAOYSA-N 0 0 444.525 2.667 50 0 IFAARN C[C@@H]1C[C@@]2(C[C@@](C)(C(=O)CSc3n[nH]c(-c4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000016319861 556600141 /nfs/dbraw/zinc/60/01/41/556600141.db2.gz FTZRUURQZZDBSC-IRKUAANASA-N 0 0 435.889 2.814 50 0 IFAARN CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000071769051 556600852 /nfs/dbraw/zinc/60/08/52/556600852.db2.gz KWWZGLHPEYKIPR-UHFFFAOYSA-N 0 0 426.467 2.681 50 0 IFAARN O=C(CN1CCC(C(=O)N2CCOCC2)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000016340119 556601019 /nfs/dbraw/zinc/60/10/19/556601019.db2.gz FXUBFOWFPUNOGS-UHFFFAOYSA-N 0 0 433.858 2.868 50 0 IFAARN COc1ccc(CCNC(=S)Nc2ccc(N3CCOCC3)c3nonc32)cc1OC ZINC000016345429 556601104 /nfs/dbraw/zinc/60/11/04/556601104.db2.gz MLVVKQMXDIJNDL-UHFFFAOYSA-N 0 0 443.529 2.606 50 0 IFAARN COC(=O)c1sc(NC(=S)N2CCN(c3ccccn3)CC2)c(C(=O)OC)c1C ZINC000016361003 556602302 /nfs/dbraw/zinc/60/23/02/556602302.db2.gz PVADLRDAANLSBN-UHFFFAOYSA-N 0 0 434.543 2.544 50 0 IFAARN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OCC)c(OCC(N)=O)cc2Cl)NC(=O)N1 ZINC000016362018 556602851 /nfs/dbraw/zinc/60/28/51/556602851.db2.gz GOZZTSWBHFWXJD-GOSISDBHSA-N 0 0 439.896 2.574 50 0 IFAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983591 556603462 /nfs/dbraw/zinc/60/34/62/556603462.db2.gz RZUAMJCAIJFHPZ-QJVAEYLJSA-N 0 0 432.885 2.629 50 0 IFAARN CC[C@H](C)N(C(=O)CN(C)Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000016388254 556604504 /nfs/dbraw/zinc/60/45/04/556604504.db2.gz BBYKZNXUBXIRBA-HOCLYGCPSA-N 0 0 431.396 2.695 50 0 IFAARN CC[C@H](C)N(C(=O)CN(C)Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000016388250 556604546 /nfs/dbraw/zinc/60/45/46/556604546.db2.gz BBYKZNXUBXIRBA-GOEBONIOSA-N 0 0 431.396 2.695 50 0 IFAARN CCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000016400487 556605478 /nfs/dbraw/zinc/60/54/78/556605478.db2.gz KTXVHCQPPRNLDL-UHFFFAOYSA-N 0 0 433.530 2.805 50 0 IFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)NCc3cccc(C)c3)s2)cc1 ZINC000032987374 556607499 /nfs/dbraw/zinc/60/74/99/556607499.db2.gz YFPPSIJFYVLBPU-UHFFFAOYSA-N 0 0 426.498 2.940 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000016448217 556608443 /nfs/dbraw/zinc/60/84/43/556608443.db2.gz BGTUNBPFIRGVSW-UHFFFAOYSA-N 0 0 430.526 2.663 50 0 IFAARN COC(=O)COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1OC ZINC000016448185 556608447 /nfs/dbraw/zinc/60/84/47/556608447.db2.gz RVSYMWZYRUKDNL-FQEVSTJZSA-N 0 0 425.441 2.514 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCN1CCCCCC1=O ZINC000032988752 556609003 /nfs/dbraw/zinc/60/90/03/556609003.db2.gz SCCMXFUBFZCMEC-IBGZPJMESA-N 0 0 443.997 2.552 50 0 IFAARN CC(=O)c1ccc(N2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)c(F)c1 ZINC000022977228 556611363 /nfs/dbraw/zinc/61/13/63/556611363.db2.gz YFZDYBRAJBQAER-UHFFFAOYSA-N 0 0 439.539 2.740 50 0 IFAARN NC(=O)N[C@@H](CC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(Br)c1 ZINC000032995819 556611402 /nfs/dbraw/zinc/61/14/02/556611402.db2.gz WBRNOGURXGFMRV-CABCVRRESA-N 0 0 434.290 2.505 50 0 IFAARN CCC(CC)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 ZINC000032915567 556612754 /nfs/dbraw/zinc/61/27/54/556612754.db2.gz CVMOWRBXDNNUKH-QFIPXVFZSA-N 0 0 443.569 2.714 50 0 IFAARN C[C@@H](C(=O)NCc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000016517768 556613549 /nfs/dbraw/zinc/61/35/49/556613549.db2.gz SCOFZRCHUIVTEL-IBGZPJMESA-N 0 0 437.565 2.851 50 0 IFAARN O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCN(c2ccccn2)CC1 ZINC000016638677 556619413 /nfs/dbraw/zinc/61/94/13/556619413.db2.gz COWOGMNDGMGPQB-UHFFFAOYSA-N 0 0 440.500 2.984 50 0 IFAARN CC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1 ZINC000033663355 556620046 /nfs/dbraw/zinc/62/00/46/556620046.db2.gz QVABKRUSUQOXJK-UHFFFAOYSA-N 0 0 447.576 2.905 50 0 IFAARN CSc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1C(=O)N1CCOCC1 ZINC000016652384 556620925 /nfs/dbraw/zinc/62/09/25/556620925.db2.gz MAAJLKVQACXEQI-UHFFFAOYSA-N 0 0 428.482 2.960 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O ZINC000016680354 556623819 /nfs/dbraw/zinc/62/38/19/556623819.db2.gz LTOZCZIKKDAIMX-WHEQGISXSA-N 0 0 438.509 2.595 50 0 IFAARN Cc1c(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000016702832 556629792 /nfs/dbraw/zinc/62/97/92/556629792.db2.gz FLCHZMSPHZQWKG-KRWDZBQOSA-N 0 0 441.505 2.793 50 0 IFAARN CCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)C2=O)cc1 ZINC000100594434 556630072 /nfs/dbraw/zinc/63/00/72/556630072.db2.gz YBUROUGFUOVFDR-ISKFKSNPSA-N 0 0 433.552 2.892 50 0 IFAARN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCC(C)(C)N3CCOCC3)cc2)cc1 ZINC000016729266 556631283 /nfs/dbraw/zinc/63/12/83/556631283.db2.gz LJAHNOSAMGKTHJ-UHFFFAOYSA-N 0 0 431.558 2.701 50 0 IFAARN CCOc1ccc(/C=c2/sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1OC ZINC000016733081 556632297 /nfs/dbraw/zinc/63/22/97/556632297.db2.gz OHQPFVSNZFVSEC-XDHOZWIPSA-N 0 0 437.477 2.698 50 0 IFAARN O=C(CCN1CCSC1=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000071818930 556634104 /nfs/dbraw/zinc/63/41/04/556634104.db2.gz DRZJVFFQLWXARF-LBPRGKRZSA-N 0 0 441.351 2.580 50 0 IFAARN C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4ncnn4c3=O)ccc2O1 ZINC000016741758 556635484 /nfs/dbraw/zinc/63/54/84/556635484.db2.gz WAFVIPDMKBZXBT-GNKPEBMXSA-N 0 0 427.489 2.875 50 0 IFAARN COc1cccc(OCC(=O)c2ccc3c(c2)N([C@@H](C)C(=O)N2CCCC2)C(=O)CO3)c1 ZINC000037512243 556638634 /nfs/dbraw/zinc/63/86/34/556638634.db2.gz MGBXGDKBSVFGSR-INIZCTEOSA-N 0 0 438.480 2.693 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc21 ZINC000033834488 556639124 /nfs/dbraw/zinc/63/91/24/556639124.db2.gz JRYKPEPSCYIGDP-XGHQBKJUSA-N 0 0 449.617 2.793 50 0 IFAARN Cc1nc(-c2ccc(CNC(=O)CCNC3=NS(=O)(=O)c4ccccc43)s2)cs1 ZINC000016775450 556640372 /nfs/dbraw/zinc/64/03/72/556640372.db2.gz GNYSWOCSQPJAKK-UHFFFAOYSA-N 0 0 446.579 2.925 50 0 IFAARN Cn1c2ccc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)cc2nc1C(F)(F)F ZINC000409413984 556641315 /nfs/dbraw/zinc/64/13/15/556641315.db2.gz MHUAFCJFLUDWII-CQSZACIVSA-N 0 0 431.374 2.671 50 0 IFAARN CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 ZINC000409415249 556641650 /nfs/dbraw/zinc/64/16/50/556641650.db2.gz YAHFNFQPAGKEMR-RTBURBONSA-N 0 0 437.496 2.971 50 0 IFAARN CCN(CCC(=O)NC(C)C)C(=O)c1cc2n(n1)CCCN(Cc1ccc(C)cc1)C2=O ZINC000037579445 556644323 /nfs/dbraw/zinc/64/43/23/556644323.db2.gz HWBSTBLCOWVVMM-UHFFFAOYSA-N 0 0 439.560 2.614 50 0 IFAARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000016829224 556645277 /nfs/dbraw/zinc/64/52/77/556645277.db2.gz UBVAQVXZGGMFFM-FQEVSTJZSA-N 0 0 449.473 2.933 50 0 IFAARN CC(C)[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1nc(-c2cccnc2)no1 ZINC000100685006 556648794 /nfs/dbraw/zinc/64/87/94/556648794.db2.gz UASLOHAFSWCJBV-JZXOWHBKSA-N 0 0 425.489 2.510 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C[C@H](C)NC(=O)c2ccccc2)c1 ZINC000011748728 556650289 /nfs/dbraw/zinc/65/02/89/556650289.db2.gz VINNWAPULDCPSE-HNNXBMFYSA-N 0 0 433.530 2.570 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 ZINC000016977713 556651965 /nfs/dbraw/zinc/65/19/65/556651965.db2.gz PUADGDJMWTUKTN-HXUWFJFHSA-N 0 0 442.516 2.863 50 0 IFAARN CCCc1nc(SCC(=O)Nc2ccc(C)c(Cl)c2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000011758090 556652264 /nfs/dbraw/zinc/65/22/64/556652264.db2.gz TYLFNXWVBZATAI-UHFFFAOYSA-N 0 0 447.948 2.672 50 0 IFAARN O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000011758486 556653023 /nfs/dbraw/zinc/65/30/23/556653023.db2.gz TWMTZFRLVBZCGI-UHFFFAOYSA-N 0 0 438.444 2.868 50 0 IFAARN COc1ccccc1OCCNC(=O)[C@H](CCSC)NC(=O)COc1ccccc1 ZINC000032999720 556653167 /nfs/dbraw/zinc/65/31/67/556653167.db2.gz XMEVCMXGQSCNPJ-SFHVURJKSA-N 0 0 432.542 2.507 50 0 IFAARN Cc1cc(C)n(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000032999740 556653275 /nfs/dbraw/zinc/65/32/75/556653275.db2.gz PKHYSVHEMAEXPI-CYBMUJFWSA-N 0 0 433.361 2.680 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)C1 ZINC000033005309 556655075 /nfs/dbraw/zinc/65/50/75/556655075.db2.gz HDELAIDSIBPCEG-KRWDZBQOSA-N 0 0 430.526 2.927 50 0 IFAARN CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H](O)COC ZINC000248012900 556655791 /nfs/dbraw/zinc/65/57/91/556655791.db2.gz JQDYTOHLOJDEGP-AZUAARDMSA-N 0 0 432.586 2.891 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N(C)C3CCCCC3)CC2=O)c(OC)c1 ZINC000011834823 556659124 /nfs/dbraw/zinc/65/91/24/556659124.db2.gz TZBPECAYRZJJPF-HZPDHXFCSA-N 0 0 432.517 2.780 50 0 IFAARN COCCn1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc2c1n(C)c(=O)n(C)c2=O ZINC000011835640 556659673 /nfs/dbraw/zinc/65/96/73/556659673.db2.gz GCBMEESYPXXPAK-UHFFFAOYSA-N 0 0 448.479 2.730 50 0 IFAARN CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)s1 ZINC000033011288 556659830 /nfs/dbraw/zinc/65/98/30/556659830.db2.gz XSMPVIDKNUJIRJ-UHFFFAOYSA-N 0 0 430.530 2.968 50 0 IFAARN C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(c4ccccc4F)CC3)c2C(N)=O)C1 ZINC000017097048 556661009 /nfs/dbraw/zinc/66/10/09/556661009.db2.gz DPOQLFRWIPDREJ-CQSZACIVSA-N 0 0 430.549 2.872 50 0 IFAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000011858151 556663213 /nfs/dbraw/zinc/66/32/13/556663213.db2.gz YAMFQOUUBIPIKC-UHFFFAOYSA-N 0 0 434.417 2.573 50 0 IFAARN COc1cccc(F)c1-c1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)s1 ZINC000011866063 556665727 /nfs/dbraw/zinc/66/57/27/556665727.db2.gz ODUNMMPANVURCE-UHFFFAOYSA-N 0 0 449.529 2.886 50 0 IFAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011904650 556670357 /nfs/dbraw/zinc/67/03/57/556670357.db2.gz WCRWZFSVVCFLHA-UHFFFAOYSA-N 0 0 428.919 2.824 50 0 IFAARN C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)C1=O ZINC000011904999 556670994 /nfs/dbraw/zinc/67/09/94/556670994.db2.gz VJRDCLTVFHZXHC-SNVBAGLBSA-N 0 0 432.882 2.592 50 0 IFAARN O=C(CN1C(=O)N[C@@H](c2ccccc2OC(F)(F)F)C1=O)Nc1ccc2c(c1)OCO2 ZINC000032932701 556675809 /nfs/dbraw/zinc/67/58/09/556675809.db2.gz JCOLBMTYORXIQK-INIZCTEOSA-N 0 0 437.330 2.546 50 0 IFAARN Cc1cc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n(C)c2c(C)c1 ZINC000100819129 556677085 /nfs/dbraw/zinc/67/70/85/556677085.db2.gz ZMPIHUNCMZTQHI-QURGRASLSA-N 0 0 445.566 2.619 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1NC(C)=O ZINC000032933528 556677619 /nfs/dbraw/zinc/67/76/19/556677619.db2.gz MTODUBSGESPURJ-UHFFFAOYSA-N 0 0 428.470 2.513 50 0 IFAARN COc1ccc(Cl)cc1CC(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 ZINC000032937024 556679059 /nfs/dbraw/zinc/67/90/59/556679059.db2.gz KNJKESURRLVACL-LJQANCHMSA-N 0 0 446.931 2.882 50 0 IFAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000011997540 556679362 /nfs/dbraw/zinc/67/93/62/556679362.db2.gz AUBZOCPIHSQJJU-UHFFFAOYSA-N 0 0 435.310 2.861 50 0 IFAARN COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCCC1=CCCCC1 ZINC000012004549 556680231 /nfs/dbraw/zinc/68/02/31/556680231.db2.gz LUZARDSPXLYMMP-UHFFFAOYSA-N 0 0 428.576 2.794 50 0 IFAARN COC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 ZINC000012006070 556680506 /nfs/dbraw/zinc/68/05/06/556680506.db2.gz NSLRHZCWGQUOQG-NSHDSACASA-N 0 0 436.873 2.691 50 0 IFAARN CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc4c(c3)NC(=O)CS4)nc(N)c21 ZINC000010621109 556682421 /nfs/dbraw/zinc/68/24/21/556682421.db2.gz HVRIDYPSMUUKRT-UHFFFAOYSA-N 0 0 442.453 2.691 50 0 IFAARN CC(=O)Nc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccccc2)cc1 ZINC000033019591 556683230 /nfs/dbraw/zinc/68/32/30/556683230.db2.gz KLSWXGZSJVGGQZ-UHFFFAOYSA-N 0 0 437.525 2.844 50 0 IFAARN COc1cccc(-c2nnc3ccc(OCCNC(=O)c4c(OC)cccc4OC)nn32)c1 ZINC000013526259 556684579 /nfs/dbraw/zinc/68/45/79/556684579.db2.gz IIZBSWICBIAOTB-UHFFFAOYSA-N 0 0 449.467 2.626 50 0 IFAARN COCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCCCC2)SC1=S ZINC000002247314 556687286 /nfs/dbraw/zinc/68/72/86/556687286.db2.gz IQLKJERUDJEKDL-SFQUDFHCSA-N 0 0 446.598 2.793 50 0 IFAARN Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000145814743 556689696 /nfs/dbraw/zinc/68/96/96/556689696.db2.gz VCGRFBXVSFAGGA-UHFFFAOYSA-N 0 0 445.472 2.634 50 0 investigational IFAARN O=c1oc(-c2cccs2)nn1CCc1n[nH]c(=S)n1Cc1ccc2c(c1)OCO2 ZINC000032937836 556690739 /nfs/dbraw/zinc/69/07/39/556690739.db2.gz BTGFFNBSRPNSQO-UHFFFAOYSA-N 0 0 429.483 2.839 50 0 IFAARN Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)nnn4C(C)C)C2)o1 ZINC000033023490 556693541 /nfs/dbraw/zinc/69/35/41/556693541.db2.gz QKZWPAULYCKTKN-INIZCTEOSA-N 0 0 445.545 2.631 50 0 IFAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000024228081 556694803 /nfs/dbraw/zinc/69/48/03/556694803.db2.gz XNWYZHARVORPLP-UHFFFAOYSA-N 0 0 446.960 2.912 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000048523219 556700239 /nfs/dbraw/zinc/70/02/39/556700239.db2.gz XYCPRHWDUCLQFN-VQTJNVASSA-N 0 0 444.553 2.935 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3CCc4cc(OC)c(OC)cc4C3)n2)cc1 ZINC000049549482 556706398 /nfs/dbraw/zinc/70/63/98/556706398.db2.gz MSKLMLRPOZYDJO-UHFFFAOYSA-N 0 0 435.480 2.521 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000019200191 556707876 /nfs/dbraw/zinc/70/78/76/556707876.db2.gz IBRFFNDHJRMRTK-UHFFFAOYSA-N 0 0 427.570 2.738 50 0 IFAARN CCNC(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036089356 556715898 /nfs/dbraw/zinc/71/58/98/556715898.db2.gz HWMRDFRGXOMKOL-UHFFFAOYSA-N 0 0 433.295 2.807 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1 ZINC000033037698 556722971 /nfs/dbraw/zinc/72/29/71/556722971.db2.gz IIDIHPSRBDQIGE-UHFFFAOYSA-N 0 0 438.553 2.696 50 0 IFAARN COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)c1 ZINC000033037849 556723365 /nfs/dbraw/zinc/72/33/65/556723365.db2.gz RVXVMZYUANDPHX-UHFFFAOYSA-N 0 0 435.484 2.604 50 0 IFAARN O=C(Nc1cc(F)c(F)c(F)c1)[C@H]1CC(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000061718273 556724535 /nfs/dbraw/zinc/72/45/35/556724535.db2.gz DJLOAKQZFJRAHW-LBPRGKRZSA-N 0 0 444.369 2.716 50 0 IFAARN C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000061718813 556725228 /nfs/dbraw/zinc/72/52/28/556725228.db2.gz BDULLGRGDPJOLM-HNNXBMFYSA-N 0 0 443.577 2.840 50 0 IFAARN CCOc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000005203901 556731175 /nfs/dbraw/zinc/73/11/75/556731175.db2.gz SBEYBASCBZDENP-JKSUJKDBSA-N 0 0 425.485 2.590 50 0 IFAARN O=C(c1csnn1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055042106 556732356 /nfs/dbraw/zinc/73/23/56/556732356.db2.gz CSNQLPRZLQONKP-INIZCTEOSA-N 0 0 425.480 2.984 50 0 IFAARN O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000019293453 556732814 /nfs/dbraw/zinc/73/28/14/556732814.db2.gz OQLBDPLUSVHSOV-SFHVURJKSA-N 0 0 427.888 2.518 50 0 IFAARN CCCCn1nnnc1COC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl ZINC000019297279 556734574 /nfs/dbraw/zinc/73/45/74/556734574.db2.gz PVFPCZDKIYDGOV-OAHLLOKOSA-N 0 0 425.942 2.722 50 0 IFAARN CCCCn1nnnc1COC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000019298070 556734735 /nfs/dbraw/zinc/73/47/35/556734735.db2.gz GQJXNNTUXJXTCJ-IRXDYDNUSA-N 0 0 429.521 2.999 50 0 IFAARN CCCCn1nnnc1COC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl ZINC000019297280 556734747 /nfs/dbraw/zinc/73/47/47/556734747.db2.gz PVFPCZDKIYDGOV-HNNXBMFYSA-N 0 0 425.942 2.722 50 0 IFAARN COc1ccc2nc(NC3=NCN(CCc4ccc(OC)c(OC)c4)CN3)nc(C)c2c1 ZINC000019330404 556736814 /nfs/dbraw/zinc/73/68/14/556736814.db2.gz VAWMUYGEAURFSR-UHFFFAOYSA-N 0 0 436.516 2.795 50 0 IFAARN Cn1ccnc1C[C@@H](NC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1)c1ccccc1 ZINC000079102786 556737185 /nfs/dbraw/zinc/73/71/85/556737185.db2.gz OLMIYIYCWAALAZ-HXUWFJFHSA-N 0 0 428.496 2.704 50 0 IFAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)cc1 ZINC000078985032 556737338 /nfs/dbraw/zinc/73/73/38/556737338.db2.gz BPIDWRKLBUXXAI-JOCHJYFZSA-N 0 0 440.519 2.700 50 0 IFAARN Cn1nc2c(c1C(=O)N1CCC[C@H](N3CCN(c4ccccc4F)CC3)C1)CCCC2 ZINC000055183135 556737362 /nfs/dbraw/zinc/73/73/62/556737362.db2.gz HGXBWXSXMKHFQN-SFHVURJKSA-N 0 0 425.552 2.865 50 0 IFAARN COc1cccc2c1ccn2CCNC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000080336601 556738974 /nfs/dbraw/zinc/73/89/74/556738974.db2.gz PHJDEHGYXQJJAK-UHFFFAOYSA-N 0 0 441.289 2.818 50 0 IFAARN CN(CCOc1ccccc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 ZINC000055254805 556738928 /nfs/dbraw/zinc/73/89/28/556738928.db2.gz YRZZKAHHNXNDTI-FQEVSTJZSA-N 0 0 433.911 2.707 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCCNC(=O)c3cc4ccccc4oc3=O)n2)cc1 ZINC000013796130 556739779 /nfs/dbraw/zinc/73/97/79/556739779.db2.gz AYZHIVFMDUUXNG-UHFFFAOYSA-N 0 0 431.448 2.845 50 0 IFAARN O=C(NCCCN1CCOCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000019342309 556740291 /nfs/dbraw/zinc/74/02/91/556740291.db2.gz YWRWOUPZQLBPPN-JOCHJYFZSA-N 0 0 429.542 2.506 50 0 IFAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCN4CCOCC4)c3N2)cc1 ZINC000013801515 556742220 /nfs/dbraw/zinc/74/22/20/556742220.db2.gz VASYITXAUZGJNA-ROUUACIJSA-N 0 0 437.466 2.914 50 0 IFAARN COc1ccc(C(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)cc1F ZINC000019355220 556745157 /nfs/dbraw/zinc/74/51/57/556745157.db2.gz AIDINCMPUVOVLF-UHFFFAOYSA-N 0 0 439.237 2.509 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SC[C@H]1CCCCO1 ZINC000005254495 556747653 /nfs/dbraw/zinc/74/76/53/556747653.db2.gz SNNUFABNGQPDPN-OAHLLOKOSA-N 0 0 425.576 2.738 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cccc4ncccc43)C2=O)cc1OC ZINC000206247823 556749209 /nfs/dbraw/zinc/74/92/09/556749209.db2.gz YBMLEWOGNWSUGW-GOSISDBHSA-N 0 0 434.452 2.701 50 0 IFAARN Cc1oc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000057997430 556751882 /nfs/dbraw/zinc/75/18/82/556751882.db2.gz QCVPBEGRGUBFLK-QGZVFWFLSA-N 0 0 447.513 2.742 50 0 IFAARN CCOC(=O)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)Cc1ccccc1 ZINC000058003367 556752111 /nfs/dbraw/zinc/75/21/11/556752111.db2.gz WYBYWCOUWUDEJE-LJQANCHMSA-N 0 0 432.542 2.525 50 0 IFAARN COc1cccc(C[C@H](C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)n2nnnc2C)c1 ZINC000058014121 556753473 /nfs/dbraw/zinc/75/34/73/556753473.db2.gz ADYOACDIOTUKFS-DENIHFKCSA-N 0 0 448.527 2.651 50 0 IFAARN O=C(NCc1ccc(Cn2cncn2)cc1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000058016973 556754014 /nfs/dbraw/zinc/75/40/14/556754014.db2.gz MVDVIDLVGFGFER-NRFANRHFSA-N 0 0 446.536 2.639 50 0 IFAARN CCOc1ccccc1-c1nnc(SCC(=O)N2CCN(c3ccccn3)CC2)o1 ZINC000019417512 556755376 /nfs/dbraw/zinc/75/53/76/556755376.db2.gz NMUGBAWZYFXDBV-UHFFFAOYSA-N 0 0 425.514 2.971 50 0 IFAARN O=C1CSC(=O)N1Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000058141537 556760959 /nfs/dbraw/zinc/76/09/59/556760959.db2.gz GMUCIPLBFFIMIJ-UHFFFAOYSA-N 0 0 434.495 2.844 50 0 IFAARN COC(=O)C[C@H](NC(=O)Nc1cnc2c(c1)c(C)nn2C)c1ccc(OC)c(OC)c1 ZINC000058157744 556763201 /nfs/dbraw/zinc/76/32/01/556763201.db2.gz RQILQJRDSLNBNP-INIZCTEOSA-N 0 0 427.461 2.720 50 0 IFAARN O=C(NCCN1CCCS1(=O)=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000058159349 556763819 /nfs/dbraw/zinc/76/38/19/556763819.db2.gz MBUOWKTXUYROSY-UHFFFAOYSA-N 0 0 434.905 2.551 50 0 IFAARN COC(=O)[C@H](C)NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2 ZINC000062001686 556764594 /nfs/dbraw/zinc/76/45/94/556764594.db2.gz LXCVYDMTGZUZFO-ZDUSSCGKSA-N 0 0 443.496 2.832 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3nc(N4CCC(C)CC4)ncc3c2=O)cc1Cl ZINC000062006731 556764891 /nfs/dbraw/zinc/76/48/91/556764891.db2.gz KNCKUFFADJCKKC-UHFFFAOYSA-N 0 0 442.907 2.724 50 0 IFAARN COc1ccc(-c2cc3ncnc(N4CCN([C@H]5CCS(=O)(=O)C5)CC4)c3s2)cc1 ZINC000058160791 556764947 /nfs/dbraw/zinc/76/49/47/556764947.db2.gz RDMUGHYLNVNCFW-INIZCTEOSA-N 0 0 444.582 2.676 50 0 IFAARN COc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000058161237 556765150 /nfs/dbraw/zinc/76/51/50/556765150.db2.gz IMHOUFHUBGSIME-SFHVURJKSA-N 0 0 431.558 2.646 50 0 IFAARN CCOc1ccc(C[C@H](CNC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)C(N)=O)cc1 ZINC000058162192 556765716 /nfs/dbraw/zinc/76/57/16/556765716.db2.gz WARKHFYYSYJOGQ-CYBMUJFWSA-N 0 0 446.891 2.535 50 0 IFAARN O=S(=O)(NCc1cccc(F)c1)c1cccc(CNc2cncc(-n3cccn3)n2)c1 ZINC000058162038 556765786 /nfs/dbraw/zinc/76/57/86/556765786.db2.gz ZLDUSAGXJYCEQE-UHFFFAOYSA-N 0 0 438.488 2.892 50 0 IFAARN CCOC(=O)c1ccc(N(CC2CC2)C(=O)CN(C)S(=O)(=O)c2cccs2)cc1 ZINC000058166783 556766808 /nfs/dbraw/zinc/76/68/08/556766808.db2.gz HKHYZRSUSNHNJY-UHFFFAOYSA-N 0 0 436.555 2.989 50 0 IFAARN Cn1c2ccccc2n(CC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1=O ZINC000058168567 556767440 /nfs/dbraw/zinc/76/74/40/556767440.db2.gz HSMINLJUFOSAPZ-MRXNPFEDSA-N 0 0 435.459 2.935 50 0 IFAARN COc1ccc(NC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1OC1CCCC1 ZINC000058175636 556769483 /nfs/dbraw/zinc/76/94/83/556769483.db2.gz KWRUZXOAEZMJFA-YLJYHZDGSA-N 0 0 433.549 2.875 50 0 IFAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C[C@@H](C)O)c(OC)c1 ZINC000206596717 556770234 /nfs/dbraw/zinc/77/02/34/556770234.db2.gz YSZXBIRFSGYVAM-LLVKDONJSA-N 0 0 435.527 2.587 50 0 IFAARN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CSc2nncn2-c2ccc(OC)cc2)C1 ZINC000058195389 556770543 /nfs/dbraw/zinc/77/05/43/556770543.db2.gz PKOZUROUEBNCHX-SJORKVTESA-N 0 0 445.589 2.911 50 0 IFAARN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1nc(-c2ccccc2)ns1 ZINC000058208646 556771718 /nfs/dbraw/zinc/77/17/18/556771718.db2.gz LHCVZRMLQMHVJC-UHFFFAOYSA-N 0 0 432.552 2.534 50 0 IFAARN CCC(CC)CN(CC(=O)OC)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC000058209049 556771728 /nfs/dbraw/zinc/77/17/28/556771728.db2.gz MCCYYAFPHBMJOC-DEOSSOPVSA-N 0 0 443.544 2.813 50 0 IFAARN COC(=O)c1cc(Cl)c(NC(=O)NCc2cccnc2N2CCOCC2)cc1OC ZINC000058214599 556772308 /nfs/dbraw/zinc/77/23/08/556772308.db2.gz YLLXZGHBCSYIOV-UHFFFAOYSA-N 0 0 434.880 2.689 50 0 IFAARN CC[C@](C)(CNC(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)N1CCOCC1 ZINC000058216494 556772535 /nfs/dbraw/zinc/77/25/35/556772535.db2.gz CRXQQJGFRSIMTE-HTAPYJJXSA-N 0 0 428.537 2.705 50 0 IFAARN Cc1ccc(Oc2ccc(NC(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cn2)cc1 ZINC000058247421 556775537 /nfs/dbraw/zinc/77/55/37/556775537.db2.gz HXZLCOWYIKSGCB-IRXDYDNUSA-N 0 0 448.545 2.743 50 0 IFAARN CC(C)c1ccc(OCc2nnc(SCC(=O)NCC(=O)c3ccccc3)n2N)cc1 ZINC000058264066 556776059 /nfs/dbraw/zinc/77/60/59/556776059.db2.gz LJKBTRPFHVTHAS-UHFFFAOYSA-N 0 0 439.541 2.786 50 0 IFAARN O=C(CCS(=O)(=O)Cc1cc2c(c(Cl)c1)OCO2)Nc1ccc2c(c1)OCO2 ZINC000058268354 556776945 /nfs/dbraw/zinc/77/69/45/556776945.db2.gz LRJQXGPIEKWYNU-UHFFFAOYSA-N 0 0 425.846 2.741 50 0 IFAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCCC(=O)N1CCCC1 ZINC000058372153 556783773 /nfs/dbraw/zinc/78/37/73/556783773.db2.gz BUFAEOXFFPMICG-UHFFFAOYSA-N 0 0 436.434 2.819 50 0 IFAARN Cc1nc2ccccc2nc1CS(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000058379654 556784301 /nfs/dbraw/zinc/78/43/01/556784301.db2.gz AENUCVWCEXPYEQ-NVXWUHKLSA-N 0 0 425.510 2.882 50 0 IFAARN Cc1nc2ccccc2nc1CS(=O)(=O)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000058379652 556784351 /nfs/dbraw/zinc/78/43/51/556784351.db2.gz AENUCVWCEXPYEQ-DOTOQJQBSA-N 0 0 425.510 2.882 50 0 IFAARN C[C@@H]1CN(C(=O)C2CCN(C(=O)/C=C/c3cc4c(c(Cl)c3)OCO4)CC2)C[C@H](C)O1 ZINC000058391691 556784901 /nfs/dbraw/zinc/78/49/01/556784901.db2.gz YUPDJHXWGXEDOX-MRINAFOASA-N 0 0 434.920 2.956 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCCO2)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000058416624 556786986 /nfs/dbraw/zinc/78/69/86/556786986.db2.gz LYEIROZPNSPLCS-UHFFFAOYSA-N 0 0 437.543 2.884 50 0 IFAARN CS(=O)(=O)N1CCC[C@@H](NC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000058418795 556787008 /nfs/dbraw/zinc/78/70/08/556787008.db2.gz GLQBBEWGNKFQPO-MRXNPFEDSA-N 0 0 441.347 2.521 50 0 IFAARN C[C@H]1CN(c2ccc(NC(=O)C3(NS(C)(=O)=O)CCCCC3)cc2F)C[C@H](C)O1 ZINC000058416139 556787055 /nfs/dbraw/zinc/78/70/55/556787055.db2.gz RJSRFNXBYRYRMM-GJZGRUSLSA-N 0 0 427.542 2.630 50 0 IFAARN O=C(Nc1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1)c1cccc(Br)c1 ZINC000058426218 556787874 /nfs/dbraw/zinc/78/78/74/556787874.db2.gz UOELQMREVFQCES-INIZCTEOSA-N 0 0 437.315 2.618 50 0 IFAARN O=C(CCn1nnc2ccccc2c1=O)NCCn1ccc2cc(Br)ccc21 ZINC000072401917 556801829 /nfs/dbraw/zinc/80/18/29/556801829.db2.gz KBRXASRGGDKUEC-UHFFFAOYSA-N 0 0 440.301 2.715 50 0 IFAARN CC(=O)NC1(c2noc(CCC(=O)N3CC(=O)Nc4ccccc43)n2)CCCCCC1 ZINC000060059804 556806133 /nfs/dbraw/zinc/80/61/33/556806133.db2.gz IDTPYBRHTGUDBP-UHFFFAOYSA-N 0 0 425.489 2.673 50 0 IFAARN COc1ccccc1N1C[C@H](C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)CC1=O ZINC000060064696 556806393 /nfs/dbraw/zinc/80/63/93/556806393.db2.gz QHQQLPBEIDVEQD-WIYYLYMNSA-N 0 0 437.540 2.585 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccc(Cl)cc3)n2N)cc1OC ZINC000003280121 556808060 /nfs/dbraw/zinc/80/80/60/556808060.db2.gz RYCOEMFNEHOPEG-UHFFFAOYSA-N 0 0 433.921 2.738 50 0 IFAARN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)NCc1ccc(F)cc1 ZINC000097940865 556811592 /nfs/dbraw/zinc/81/15/92/556811592.db2.gz QFOWUZCUIVIWMN-UHFFFAOYSA-N 0 0 432.477 2.832 50 0 IFAARN Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)cc1F ZINC000097943474 556813202 /nfs/dbraw/zinc/81/32/02/556813202.db2.gz HNXBISKNAPMJQH-NRFANRHFSA-N 0 0 449.486 2.595 50 0 IFAARN C[C@@H](C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1)N1C(=O)c2ccccc2C1=O ZINC000003479959 556816518 /nfs/dbraw/zinc/81/65/18/556816518.db2.gz ABBWKBNPWNGZBH-NSHDSACASA-N 0 0 436.342 2.752 50 0 IFAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000003511383 556817185 /nfs/dbraw/zinc/81/71/85/556817185.db2.gz PKIHJQFVUYJVQK-OAHLLOKOSA-N 0 0 432.498 2.664 50 0 IFAARN COc1cccc(CNC(=O)CCc2nc(CS(=O)(=O)c3ccc(C)cc3)no2)c1 ZINC000033062856 556819174 /nfs/dbraw/zinc/81/91/74/556819174.db2.gz VMHWUMIOZGRKGB-UHFFFAOYSA-N 0 0 429.498 2.610 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(CN3C(=O)CC4(CCCCC4)C3=O)CC2)c1C ZINC000096492139 556821455 /nfs/dbraw/zinc/82/14/55/556821455.db2.gz DZRRNCRXXZQOOE-UHFFFAOYSA-N 0 0 426.561 2.526 50 0 IFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NCc1ccccn1 ZINC000033068529 556823470 /nfs/dbraw/zinc/82/34/70/556823470.db2.gz VEZJSGPQQCWNCZ-UHFFFAOYSA-N 0 0 434.883 2.576 50 0 IFAARN COc1cc([C@H](c2nnnn2C2CCCCC2)N2CCN(C)CC2)cc(OC)c1OC ZINC000019589813 556824555 /nfs/dbraw/zinc/82/45/55/556824555.db2.gz OFOWWZVVCXWPFT-HXUWFJFHSA-N 0 0 430.553 2.541 50 0 IFAARN CCOc1ccc(-n2ccn3c(CCCC(=O)NCc4ccccc4)nnc3c2=O)cc1 ZINC000064591627 556825400 /nfs/dbraw/zinc/82/54/00/556825400.db2.gz VBEDPZPGGQCNGW-UHFFFAOYSA-N 0 0 431.496 2.918 50 0 IFAARN Cc1ccccc1C(=O)N1CCc2c(c(C(=O)NCc3ccc4c(c3)OCO4)nn2C)C1 ZINC000064893086 556828245 /nfs/dbraw/zinc/82/82/45/556828245.db2.gz MRXPFGKFRFAVOL-UHFFFAOYSA-N 0 0 432.480 2.586 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(C(=O)NCc4ccc(F)cc4)nn3C)C2)cc1 ZINC000064893255 556828512 /nfs/dbraw/zinc/82/85/12/556828512.db2.gz XNUZEGJCZYNYHI-UHFFFAOYSA-N 0 0 442.516 2.545 50 0 IFAARN O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000019633416 556833531 /nfs/dbraw/zinc/83/35/31/556833531.db2.gz XNEBQNGQTWOCPB-UHFFFAOYSA-N 0 0 441.383 2.750 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N[C@H]2COc3ccc(Br)cc3C2)c1 ZINC000065330381 556833516 /nfs/dbraw/zinc/83/35/16/556833516.db2.gz NYKYKNOMEUKYMN-CYBMUJFWSA-N 0 0 428.304 2.748 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N[C@@H]2COc3ccc(Br)cc3C2)c1 ZINC000065330382 556833607 /nfs/dbraw/zinc/83/36/07/556833607.db2.gz NYKYKNOMEUKYMN-ZDUSSCGKSA-N 0 0 428.304 2.748 50 0 IFAARN COCCCN1C(=O)/C(=C/c2cnn(C)c2)N=C1SCC(=O)Nc1cc(C)ccc1C ZINC000019634605 556834390 /nfs/dbraw/zinc/83/43/90/556834390.db2.gz IOBUDLKJLSXXAR-ODLFYWEKSA-N 0 0 441.557 2.984 50 0 IFAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCOCC2)nn1 ZINC000065362582 556834664 /nfs/dbraw/zinc/83/46/64/556834664.db2.gz FJEFZWLWRFZELA-QGZVFWFLSA-N 0 0 434.500 2.680 50 0 IFAARN COc1ccc(CNC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)cc1OC ZINC000072404436 556836166 /nfs/dbraw/zinc/83/61/66/556836166.db2.gz BISRDEHESTUDIW-UHFFFAOYSA-N 0 0 430.464 2.787 50 0 IFAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3cn(C)nc3C)C1[C@H](c1cn(C)nc1C)O2 ZINC000019640705 556837121 /nfs/dbraw/zinc/83/71/21/556837121.db2.gz ZOIDONDNZFLRHI-YADHBBJMSA-N 0 0 444.499 2.930 50 0 IFAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3cn(C)nc3C)C1[C@H](c1cn(C)nc1C)O2 ZINC000019640718 556837190 /nfs/dbraw/zinc/83/71/90/556837190.db2.gz ZOIDONDNZFLRHI-VXKWHMMOSA-N 0 0 444.499 2.930 50 0 IFAARN O=C(C[C@@H]([NH2+]CCCN1CCOCC1)C(=O)[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000022996957 556839074 /nfs/dbraw/zinc/83/90/74/556839074.db2.gz AEPVRCAWZMRVNT-OAQYLSRUSA-N 0 0 427.501 2.573 50 0 IFAARN CCc1cc2c(nc(SCC(N)=O)n(NC(=O)CSCc3ccccc3)c2=O)s1 ZINC000019647998 556841158 /nfs/dbraw/zinc/84/11/58/556841158.db2.gz OMMRGQISXLWYBQ-UHFFFAOYSA-N 0 0 448.595 2.601 50 0 IFAARN Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000067614225 556844227 /nfs/dbraw/zinc/84/42/27/556844227.db2.gz CCKVWARVTICCEJ-UHFFFAOYSA-N 0 0 428.493 2.574 50 0 IFAARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000067772877 556846534 /nfs/dbraw/zinc/84/65/34/556846534.db2.gz LNXNBRJEYGOPPC-CQSZACIVSA-N 0 0 426.496 2.967 50 0 IFAARN O=C(CSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)NCCN1CCOCC1 ZINC000019690906 556846920 /nfs/dbraw/zinc/84/69/20/556846920.db2.gz MAOUUJLQFFVFHM-UHFFFAOYSA-N 0 0 443.447 2.523 50 0 IFAARN O=C(CN1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000096888432 556848302 /nfs/dbraw/zinc/84/83/02/556848302.db2.gz DIQMJSQQXIMTLH-IBGZPJMESA-N 0 0 449.429 2.672 50 0 IFAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)OC(C)(C)C)C(N)=O ZINC000068605643 556849043 /nfs/dbraw/zinc/84/90/43/556849043.db2.gz LLTBESZDWJXUAR-HKUYNNGSSA-N 0 0 428.533 2.846 50 0 IFAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NC1CCCCC1 ZINC000008849837 556850013 /nfs/dbraw/zinc/85/00/13/556850013.db2.gz GQDMOCNFPPWURR-HNNXBMFYSA-N 0 0 440.537 2.607 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c1 ZINC000008880324 556850404 /nfs/dbraw/zinc/85/04/04/556850404.db2.gz APUHWSNGWKEISR-INIZCTEOSA-N 0 0 437.345 2.783 50 0 IFAARN COc1cc(N2C[C@@H](CNC(=O)Nc3ccc4c(c3)OCO4)OC2=O)cc(OC)c1OC ZINC000008867619 556851450 /nfs/dbraw/zinc/85/14/50/556851450.db2.gz UOGBLNLCAUGTBG-CQSZACIVSA-N 0 0 445.428 2.588 50 0 IFAARN Cc1c(C(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)sc2nc[nH]c(=O)c12 ZINC000033073537 556852703 /nfs/dbraw/zinc/85/27/03/556852703.db2.gz BELHOFOBYMNBBZ-UHFFFAOYSA-N 0 0 438.553 2.894 50 0 IFAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCCCN3CC[NH+](CC)CC3)C2)s1 ZINC000033078333 556853252 /nfs/dbraw/zinc/85/32/52/556853252.db2.gz UOPTYBZNGOQLML-GOSISDBHSA-N 0 0 444.649 2.614 50 0 IFAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)N3CCN(c4ncccn4)CC3)C2)s1 ZINC000033078335 556853262 /nfs/dbraw/zinc/85/32/62/556853262.db2.gz WZENVUHJKZDVIS-MRXNPFEDSA-N 0 0 437.573 2.609 50 0 IFAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000033086749 556857192 /nfs/dbraw/zinc/85/71/92/556857192.db2.gz UUTQIDRRSKMGLR-UHFFFAOYSA-N 0 0 444.557 2.946 50 0 IFAARN COc1ccc(OC)c(NC(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000033122450 556863351 /nfs/dbraw/zinc/86/33/51/556863351.db2.gz DKBITFYCOZWMFE-UHFFFAOYSA-N 0 0 433.530 2.987 50 0 IFAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccc(OC)cc1OC ZINC000033124802 556864206 /nfs/dbraw/zinc/86/42/06/556864206.db2.gz PYOIPUMESSPISB-IBGZPJMESA-N 0 0 441.459 2.863 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1ccccc1 ZINC000033129149 556866016 /nfs/dbraw/zinc/86/60/16/556866016.db2.gz SGORUTNUALQKSQ-MRXNPFEDSA-N 0 0 442.541 2.570 50 0 IFAARN CN(C)C(=O)c1ccc2oc(CN3CCN(C(=O)NCCc4ccccc4)CC3)nc2c1 ZINC000033127432 556867801 /nfs/dbraw/zinc/86/78/01/556867801.db2.gz ZEHODNCEUSCQNK-UHFFFAOYSA-N 0 0 435.528 2.600 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCCCCC4)C3)c2)no1 ZINC000033129660 556868977 /nfs/dbraw/zinc/86/89/77/556868977.db2.gz NCAIFXBDTNMUHX-OAHLLOKOSA-N 0 0 438.575 2.910 50 0 IFAARN CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)NCCc3ccccc3)cc21 ZINC000033129756 556869020 /nfs/dbraw/zinc/86/90/20/556869020.db2.gz XRGBMTUCHJWVSY-UHFFFAOYSA-N 0 0 441.597 2.928 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)NCc1cscn1 ZINC000033138999 556872742 /nfs/dbraw/zinc/87/27/42/556872742.db2.gz QFSMYNMHOCEDFY-KRWDZBQOSA-N 0 0 427.617 2.983 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NCc1cscn1 ZINC000033138997 556872813 /nfs/dbraw/zinc/87/28/13/556872813.db2.gz RZMCGFOCAGEEKS-AWEZNQCLSA-N 0 0 437.971 2.652 50 0 IFAARN Cc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cs1 ZINC000033140251 556876038 /nfs/dbraw/zinc/87/60/38/556876038.db2.gz FXAWPOLPXWGIPE-UHFFFAOYSA-N 0 0 434.008 2.926 50 0 IFAARN CCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccccc2Cl)c1=O ZINC000033140906 556876528 /nfs/dbraw/zinc/87/65/28/556876528.db2.gz GSQHRMXJVBXRLA-UHFFFAOYSA-N 0 0 433.921 2.532 50 0 IFAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 ZINC000033141922 556877436 /nfs/dbraw/zinc/87/74/36/556877436.db2.gz NBHODEUUZZOUJR-UHFFFAOYSA-N 0 0 439.560 2.632 50 0 IFAARN O=C([C@@H]1CC12CCN(C(=O)[C@H]1CCOC1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019739929 556879327 /nfs/dbraw/zinc/87/93/27/556879327.db2.gz IDEUQARRUFRYKP-TUQZLUKZSA-N 0 0 437.584 2.509 50 0 IFAARN O=C([C@H]1CC12CCN(C(=O)[C@@H]1CCOC1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019739923 556879410 /nfs/dbraw/zinc/87/94/10/556879410.db2.gz IDEUQARRUFRYKP-AHMTUAPDSA-N 0 0 437.584 2.509 50 0 IFAARN Cc1ccccc1[C@@]1(CC(=O)N2CCN(Cc3ccccc3)CC2)CC(=O)N(C2CC2)C1=O ZINC000019740292 556880391 /nfs/dbraw/zinc/88/03/91/556880391.db2.gz WZWBQWYZHKFJQC-HHHXNRCGSA-N 0 0 445.563 2.889 50 0 IFAARN CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc([C@H]4CCCO4)s3)n2)cc1 ZINC000071283596 556880422 /nfs/dbraw/zinc/88/04/22/556880422.db2.gz MUUSLZVWHUSCKU-OAHLLOKOSA-N 0 0 429.527 2.974 50 0 IFAARN Cc1noc(/C=C\c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1NC(=O)C1CC1 ZINC000033171121 556882096 /nfs/dbraw/zinc/88/20/96/556882096.db2.gz YXFULCIBTRFQNR-ACAQERRYSA-N 0 0 431.514 2.959 50 0 IFAARN CCn1c2ccccc2nc(N2CCC(NC(=O)NCc3cccc(OC)c3)CC2)c1=O ZINC000033169617 556884682 /nfs/dbraw/zinc/88/46/82/556884682.db2.gz YYVRDRMOZVGKGT-UHFFFAOYSA-N 0 0 435.528 2.893 50 0 IFAARN COc1cc(NC(=O)NC2CCN(c3nc4ccccc4n(C)c3=O)CC2)cc(OC)c1 ZINC000033169719 556884901 /nfs/dbraw/zinc/88/49/01/556884901.db2.gz SXLYANIDANWBLJ-UHFFFAOYSA-N 0 0 437.500 2.741 50 0 IFAARN COC(=O)c1sccc1NC(=O)NC1CCN(c2nc3ccccc3n(C)c2=O)CC1 ZINC000033169727 556885051 /nfs/dbraw/zinc/88/50/51/556885051.db2.gz WVRZBPKAMBUEKF-UHFFFAOYSA-N 0 0 441.513 2.572 50 0 IFAARN COCc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)o1 ZINC000019742759 556886855 /nfs/dbraw/zinc/88/68/55/556886855.db2.gz NFVAJLAGMCLZKN-OAQYLSRUSA-N 0 0 438.532 2.598 50 0 IFAARN COc1cccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(F)cc32)c1 ZINC000033249423 556889322 /nfs/dbraw/zinc/88/93/22/556889322.db2.gz DLKKOEPBRTZNHH-UHFFFAOYSA-N 0 0 430.457 2.688 50 0 IFAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC000033250754 556891650 /nfs/dbraw/zinc/89/16/50/556891650.db2.gz JQZHHPFFQYWJAE-KXKDPZRNSA-N 0 0 433.505 2.972 50 0 IFAARN NC(=O)COc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1 ZINC000010661352 556892946 /nfs/dbraw/zinc/89/29/46/556892946.db2.gz XYHIJPNYUQHQBO-UHFFFAOYSA-N 0 0 438.509 2.763 50 0 IFAARN [NH3+]C[C@H]1Cc2cc(-c3cc(C(=O)[O-])cc(S(=O)(=O)N4CCCCCC4)c3)ccc2O1 ZINC000072143925 556899617 /nfs/dbraw/zinc/89/96/17/556899617.db2.gz CBIRQTZFFXAHNZ-LJQANCHMSA-N 0 0 430.526 2.879 50 0 IFAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1)c1ccccc1 ZINC000033262217 556900420 /nfs/dbraw/zinc/90/04/20/556900420.db2.gz QWSSDBBJXMBPJP-NVXWUHKLSA-N 0 0 428.514 2.948 50 0 IFAARN COc1cc(C(=O)OCC(=O)Nc2cc3c(cc2Cl)OCCO3)cc2c1OCCO2 ZINC000010668141 556913994 /nfs/dbraw/zinc/91/39/94/556913994.db2.gz SWGGSUPRVRCJEL-UHFFFAOYSA-N 0 0 435.816 2.687 50 0 IFAARN COc1ccc(Br)cc1CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019789399 556914636 /nfs/dbraw/zinc/91/46/36/556914636.db2.gz CVTOXLSHMJVWEY-UHFFFAOYSA-N 0 0 425.348 2.964 50 0 IFAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)N1CCc2ccccc21 ZINC000019798745 556916746 /nfs/dbraw/zinc/91/67/46/556916746.db2.gz STLCFGOHXFHUPI-UHFFFAOYSA-N 0 0 435.553 2.781 50 0 IFAARN CCOc1cc(C2C(C(=O)OC)=CNC=C2C(=O)OC)cc(Br)c1OC ZINC000019799664 556917260 /nfs/dbraw/zinc/91/72/60/556917260.db2.gz NGXJZSWXTLTXAW-UHFFFAOYSA-N 0 0 426.263 2.657 50 0 IFAARN O=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019817561 556920140 /nfs/dbraw/zinc/92/01/40/556920140.db2.gz LGMMLZHDHGLVGR-YJBOKZPZSA-N 0 0 434.452 2.861 50 0 IFAARN CCOC(=O)CNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 ZINC000019823697 556925159 /nfs/dbraw/zinc/92/51/59/556925159.db2.gz DJOZEHVNJWHQNV-UHFFFAOYSA-N 0 0 431.905 2.754 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000019831600 556926833 /nfs/dbraw/zinc/92/68/33/556926833.db2.gz YANOOLOLMCHGCC-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1OC ZINC000019850868 556930543 /nfs/dbraw/zinc/93/05/43/556930543.db2.gz SSLWGDKUWZMHJB-UHFFFAOYSA-N 0 0 447.557 2.559 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cccc(Br)c3)CC2)cc1 ZINC000019853725 556931112 /nfs/dbraw/zinc/93/11/12/556931112.db2.gz VOYGBWRUBBWPRQ-UHFFFAOYSA-N 0 0 425.348 2.964 50 0 IFAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2C)C1 ZINC000019857818 556931408 /nfs/dbraw/zinc/93/14/08/556931408.db2.gz DXSUDLIXNAYHLU-QGZVFWFLSA-N 0 0 430.526 2.962 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 ZINC000019862521 556933897 /nfs/dbraw/zinc/93/38/97/556933897.db2.gz UIOASPAJODQJFQ-QGZVFWFLSA-N 0 0 434.489 2.793 50 0 IFAARN COc1cccc(C(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)c1OC ZINC000019889278 556938608 /nfs/dbraw/zinc/93/86/08/556938608.db2.gz LPTXRTJPWFIAQL-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN O=C(COc1ccccc1)N1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000019902875 556942331 /nfs/dbraw/zinc/94/23/31/556942331.db2.gz JQCSGLIJHGDDJY-UHFFFAOYSA-N 0 0 443.503 2.659 50 0 IFAARN O=c1oc2cc(OC[C@@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc2c2c1CCC2 ZINC000019909144 556942836 /nfs/dbraw/zinc/94/28/36/556942836.db2.gz RFPWAMWRGZQAEG-IBGZPJMESA-N 0 0 438.499 2.983 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2cc(Cl)ccc2C)cc1 ZINC000019913216 556943715 /nfs/dbraw/zinc/94/37/15/556943715.db2.gz LWZJANHFZIUVKR-UHFFFAOYSA-N 0 0 435.977 2.926 50 0 IFAARN CCOc1cc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)ccc1OC ZINC000019921052 556943885 /nfs/dbraw/zinc/94/38/85/556943885.db2.gz RIYYFFIZODBNPJ-UHFFFAOYSA-N 0 0 447.557 2.559 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1Cl ZINC000019938206 556952060 /nfs/dbraw/zinc/95/20/60/556952060.db2.gz KOYIUYKLDAJMRR-JXMROGBWSA-N 0 0 447.988 2.964 50 0 IFAARN COc1ncccc1C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000019939767 556953263 /nfs/dbraw/zinc/95/32/63/556953263.db2.gz JOKUPHDENREBJP-QFIPXVFZSA-N 0 0 448.567 2.677 50 0 IFAARN O=C(NCCN1CCOCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000019990937 556956729 /nfs/dbraw/zinc/95/67/29/556956729.db2.gz RGFIAZUOKREUTG-QHCPKHFHSA-N 0 0 425.554 2.523 50 0 IFAARN O=C(NCCN1CCOCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000019990941 556956733 /nfs/dbraw/zinc/95/67/33/556956733.db2.gz RGFIAZUOKREUTG-HSZRJFAPSA-N 0 0 425.554 2.523 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(c1ccc(C)cc1)[C@](C)(C(=O)NCc1ccccc1)C2 ZINC000033265940 556976601 /nfs/dbraw/zinc/97/66/01/556976601.db2.gz HEHJHJZKXXXNBI-DEOSSOPVSA-N 0 0 432.480 2.714 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1)[C@](C)(C(=O)NCc1ccc(C)cc1)C2 ZINC000033266030 556976634 /nfs/dbraw/zinc/97/66/34/556976634.db2.gz GQIYVRASVCUYLS-VWLOTQADSA-N 0 0 446.507 2.709 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1cccc(OC/C=C\c2ccccc2)c1 ZINC000096817290 556978005 /nfs/dbraw/zinc/97/80/05/556978005.db2.gz XWKBBVIGXZRLQW-YFHOEESVSA-N 0 0 429.480 2.678 50 0 IFAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3c(c2)OCCO3)n2c3ccccc3nc21 ZINC000020103444 556980977 /nfs/dbraw/zinc/98/09/77/556980977.db2.gz KZWPWEAOTUJPNU-GOSISDBHSA-N 0 0 436.468 2.761 50 0 IFAARN COCCCN1C(=O)[C@H](CC(=O)Nc2ccc3c(c2)OCCO3)n2c3ccccc3nc21 ZINC000020103446 556981121 /nfs/dbraw/zinc/98/11/21/556981121.db2.gz KZWPWEAOTUJPNU-SFHVURJKSA-N 0 0 436.468 2.761 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)cc1 ZINC000033267537 556981560 /nfs/dbraw/zinc/98/15/60/556981560.db2.gz GNJQLXRWXKLQBD-UHFFFAOYSA-N 0 0 438.459 2.946 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000096875448 556985293 /nfs/dbraw/zinc/98/52/93/556985293.db2.gz LXMKFXZBNHTEDG-GOSISDBHSA-N 0 0 444.963 2.737 50 0 IFAARN CCC(=O)c1ccc(OC[C@@H](O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 ZINC000023043241 556986145 /nfs/dbraw/zinc/98/61/45/556986145.db2.gz BUAHSZUAQUYPEJ-SFHVURJKSA-N 0 0 436.443 2.754 50 0 IFAARN Cc1cc(C)c(C(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)cc1N ZINC000097109105 556989995 /nfs/dbraw/zinc/98/99/95/556989995.db2.gz FACDVGLTBCGQEJ-UHFFFAOYSA-N 0 0 434.290 2.560 50 0 IFAARN COc1cc(C)c(-c2nc(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)c(C)o2)cc1C ZINC000020149575 556990775 /nfs/dbraw/zinc/99/07/75/556990775.db2.gz NZDZLUPCDHIENO-SFHVURJKSA-N 0 0 433.574 2.580 50 0 IFAARN O=C(c1cc2c(nc3ccccn3c2=O)s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020151772 556991724 /nfs/dbraw/zinc/99/17/24/556991724.db2.gz ILROLKAWTJALIA-UHFFFAOYSA-N 0 0 448.504 2.596 50 0 IFAARN COc1ccc(CC(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NS(=O)(=O)c2cccs2)cc1Cl ZINC000097151655 556992803 /nfs/dbraw/zinc/99/28/03/556992803.db2.gz UZNJJWVJNCEYFX-DZKIICNBSA-N 0 0 440.974 2.921 50 0 IFAARN O=C(Nc1cccc(-n2cn[nH]c2=O)c1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000097141311 556992808 /nfs/dbraw/zinc/99/28/08/556992808.db2.gz OYAJFUYAOAUABE-UHFFFAOYSA-N 0 0 434.477 2.787 50 0 IFAARN CCNC(=O)COc1ccc(CN2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)cc1 ZINC000097164435 556994433 /nfs/dbraw/zinc/99/44/33/556994433.db2.gz BXQAPAJRMDASEQ-UHFFFAOYSA-N 0 0 445.585 2.795 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CCOC)cc1 ZINC000020168881 556994669 /nfs/dbraw/zinc/99/46/69/556994669.db2.gz LRGKLWNZUICIFX-LJQANCHMSA-N 0 0 439.468 2.676 50 0 IFAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CS2 ZINC000023078583 556995903 /nfs/dbraw/zinc/99/59/03/556995903.db2.gz BQPONQOFTKTVRG-CRAIPNDOSA-N 0 0 429.464 2.935 50 0 IFAARN COc1ccc([C@H]([C@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC ZINC000020191919 556996161 /nfs/dbraw/zinc/99/61/61/556996161.db2.gz AUNVLATUOFSGJT-FGZHOGPDSA-N 0 0 446.569 2.722 50 0 IFAARN COC(=O)c1c(OCc2cccnc2)cc(=O)n2c1CCN(Cc1ccccc1OC)CC2 ZINC000020210493 556998579 /nfs/dbraw/zinc/99/85/79/556998579.db2.gz QTARPHABZSJXTL-UHFFFAOYSA-N 0 0 449.507 2.676 50 0 IFAARN COc1ccccc1CNC(=O)C(=O)NC[C@H](c1cccc2ccccc21)N1CCOCC1 ZINC000023107703 557002399 /nfs/dbraw/zinc/00/23/99/557002399.db2.gz MAJBJOBDRPJDAF-HSZRJFAPSA-N 0 0 447.535 2.654 50 0 IFAARN O=C(Cn1nc(-c2ccco2)c2sc(N3CCCC3)nc2c1=O)NCc1ccco1 ZINC000023108995 557003684 /nfs/dbraw/zinc/00/36/84/557003684.db2.gz QRLUASBGPMLGIQ-UHFFFAOYSA-N 0 0 425.470 2.623 50 0 IFAARN CC(C)c1c(C(=O)NCCCN2CCOCC2)cnn1-c1nccc(-c2cccs2)n1 ZINC000020271615 557004812 /nfs/dbraw/zinc/00/48/12/557004812.db2.gz OMWHRHXWSLQYBD-UHFFFAOYSA-N 0 0 440.573 2.966 50 0 IFAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(F)c2)N1CCN1CCOCC1 ZINC000020308074 557006585 /nfs/dbraw/zinc/00/65/85/557006585.db2.gz XXPVEFJOZPRZCS-FQEVSTJZSA-N 0 0 426.419 2.949 50 0 IFAARN O=c1c2nnn(Cc3ccccc3Cl)c2ncn1Cc1nc(-c2ccc(F)cc2)no1 ZINC000023126551 557008223 /nfs/dbraw/zinc/00/82/23/557008223.db2.gz CAGIQRLWWHWMAJ-UHFFFAOYSA-N 0 0 437.822 2.927 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2-c1ccccc1OC ZINC000020345213 557008698 /nfs/dbraw/zinc/00/86/98/557008698.db2.gz SXGIZKCLOSYOEM-UHFFFAOYSA-N 0 0 449.438 2.838 50 0 IFAARN C[C@@H]1CCCN(C(=O)Cn2c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3oc2=O)C1 ZINC000020356775 557010818 /nfs/dbraw/zinc/01/08/18/557010818.db2.gz BSCSGUDMEFQRHM-BRWVUGGUSA-N 0 0 449.573 2.520 50 0 IFAARN Cc1ccc(OCC(=O)NCCNC(=O)c2nc(-c3ccc(Cl)cc3)no2)c(C)c1 ZINC000020357051 557011061 /nfs/dbraw/zinc/01/10/61/557011061.db2.gz MWCLGNDQHUIZTI-UHFFFAOYSA-N 0 0 428.876 2.932 50 0 IFAARN CCCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)s1 ZINC000020358355 557011785 /nfs/dbraw/zinc/01/17/85/557011785.db2.gz GQNWDVZRPYCEDP-UHFFFAOYSA-N 0 0 449.552 2.701 50 0 IFAARN CCOc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3ccn(C)n3)sc2c1 ZINC000023128154 557012162 /nfs/dbraw/zinc/01/21/62/557012162.db2.gz KWMXNIRRMRXVTM-UHFFFAOYSA-N 0 0 429.546 2.798 50 0 IFAARN C[C@@H](O)CNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020390156 557012382 /nfs/dbraw/zinc/01/23/82/557012382.db2.gz NJGJEQJSTGBLSY-GFCCVEGCSA-N 0 0 429.546 2.720 50 0 IFAARN COc1ccccc1-n1c(O)c2c(C(C)=O)nn(-c3ccc(Br)cc3)c2c1O ZINC000097020869 557015472 /nfs/dbraw/zinc/01/54/72/557015472.db2.gz SJBCFKTVGHHJJO-AEFFLSMTSA-N 0 0 442.269 2.781 50 0 IFAARN Cc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000023134632 557017405 /nfs/dbraw/zinc/01/74/05/557017405.db2.gz PQJRRJZELQTDSW-UHFFFAOYSA-N 0 0 430.434 2.948 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 ZINC000010692571 557018834 /nfs/dbraw/zinc/01/88/34/557018834.db2.gz WQMOEXHREZHMPC-AWEZNQCLSA-N 0 0 439.921 2.591 50 0 IFAARN CC(C)c1cc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)c2cnn(C(C)C)c2n1 ZINC000010706893 557019044 /nfs/dbraw/zinc/01/90/44/557019044.db2.gz SUDJPIBRMPUTST-UHFFFAOYSA-N 0 0 429.546 2.854 50 0 IFAARN Cc1nn(CCC(=O)NCc2cccc(C)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000046004556 557019406 /nfs/dbraw/zinc/01/94/06/557019406.db2.gz MFMCFBAMIDTGPK-UHFFFAOYSA-N 0 0 432.590 2.935 50 0 IFAARN COc1cccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000010715542 557020262 /nfs/dbraw/zinc/02/02/62/557020262.db2.gz VPKQUUHJRPJCBM-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN Cc1cc(C(=O)CSc2nc(N)n[nH]2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000010715888 557020601 /nfs/dbraw/zinc/02/06/01/557020601.db2.gz GGDUIQFIHQAIPQ-UHFFFAOYSA-N 0 0 437.529 2.567 50 0 IFAARN NC(=O)c1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3cccc(Cl)c3)n2)cc1 ZINC000023138328 557021352 /nfs/dbraw/zinc/02/13/52/557021352.db2.gz DJKABYXDHMJSGL-UHFFFAOYSA-N 0 0 428.901 2.996 50 0 IFAARN COCCNC(=O)Cn1nc2c(c1NC(=O)c1cccc(C(F)(F)F)c1)CSC2 ZINC000023138909 557022403 /nfs/dbraw/zinc/02/24/03/557022403.db2.gz UKIZGRCYJDKHHU-UHFFFAOYSA-N 0 0 428.436 2.664 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(OC)nc1)n2C ZINC000010741163 557023288 /nfs/dbraw/zinc/02/32/88/557023288.db2.gz ASFNXHSOSPFUFJ-UHFFFAOYSA-N 0 0 445.545 2.579 50 0 IFAARN Cc1c(NC(=O)CCCn2cnc3c(C)cccc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000010744452 557023346 /nfs/dbraw/zinc/02/33/46/557023346.db2.gz ORALQIGWBNRQIT-UHFFFAOYSA-N 0 0 431.496 2.922 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCc3ccco3)n2Cc2ccncc2)c1 ZINC000046031385 557024075 /nfs/dbraw/zinc/02/40/75/557024075.db2.gz SPNPSMKLPZXNEK-UHFFFAOYSA-N 0 0 438.509 2.858 50 0 IFAARN O=C(Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1)c1ccc2c(c1)OCO2 ZINC000046031514 557024431 /nfs/dbraw/zinc/02/44/31/557024431.db2.gz IPCIMLZCSHOOJL-UHFFFAOYSA-N 0 0 439.478 2.819 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)cc2-c2cccs2)c1 ZINC000023142199 557024657 /nfs/dbraw/zinc/02/46/57/557024657.db2.gz PBMDQRRGXNLAKC-UHFFFAOYSA-N 0 0 438.509 2.925 50 0 IFAARN Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3cc(C)c(C)cc3C)nc(C)n2)n1 ZINC000023144541 557026334 /nfs/dbraw/zinc/02/63/34/557026334.db2.gz CYCIVOWUOWLDKH-UHFFFAOYSA-N 0 0 428.562 2.903 50 0 IFAARN O=C(CS(=O)(=O)C1CCCC1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000072070799 557026590 /nfs/dbraw/zinc/02/65/90/557026590.db2.gz MJUNIUHRTLQHMN-UHFFFAOYSA-N 0 0 444.391 2.971 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3C)cc1OC ZINC000046053879 557027047 /nfs/dbraw/zinc/02/70/47/557027047.db2.gz MNLXBDUMWGMURX-UHFFFAOYSA-N 0 0 430.526 2.995 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3C)CC1 ZINC000046053888 557027108 /nfs/dbraw/zinc/02/71/08/557027108.db2.gz DAQKNOIYDSXPAE-UHFFFAOYSA-N 0 0 441.553 2.976 50 0 IFAARN CC(=O)c1ccc(NC(=O)CSc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000046046924 557028031 /nfs/dbraw/zinc/02/80/31/557028031.db2.gz DFDGEKCGEGVGCT-UHFFFAOYSA-N 0 0 437.456 2.953 50 0 IFAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)NCCCN3CCCC3=O)c2cc1C ZINC000032945016 557028276 /nfs/dbraw/zinc/02/82/76/557028276.db2.gz YELPTSHDUXWPNE-CQSZACIVSA-N 0 0 438.450 2.722 50 0 IFAARN CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000072097064 557029472 /nfs/dbraw/zinc/02/94/72/557029472.db2.gz LFSRABJINVNXCD-JOCHJYFZSA-N 0 0 439.531 2.600 50 0 IFAARN O=C(NCc1ccccc1F)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000017177679 557030861 /nfs/dbraw/zinc/03/08/61/557030861.db2.gz AXBMJKBZGLQEJO-IBGZPJMESA-N 0 0 448.447 2.505 50 0 IFAARN Cn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000032946773 557034252 /nfs/dbraw/zinc/03/42/52/557034252.db2.gz AGAIQODHCHOOCF-UHFFFAOYSA-N 0 0 428.898 2.744 50 0 IFAARN O=C(NCCN1CCOCC1)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000046079753 557034978 /nfs/dbraw/zinc/03/49/78/557034978.db2.gz DQWJSDJPRRKHMS-UHFFFAOYSA-N 0 0 440.519 2.720 50 0 IFAARN Cc1cccc(CN2CCCN(c3cccc(C(=O)NCCN4CCOCC4)c3)C2=O)c1 ZINC000046079921 557035346 /nfs/dbraw/zinc/03/53/46/557035346.db2.gz AXAGLHWOBIYPHZ-UHFFFAOYSA-N 0 0 436.556 2.889 50 0 IFAARN O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1 ZINC000017191051 557035899 /nfs/dbraw/zinc/03/58/99/557035899.db2.gz WFFFUTBKWFTOEN-IBGZPJMESA-N 0 0 446.525 2.835 50 0 IFAARN O=C(c1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O ZINC000017190867 557035915 /nfs/dbraw/zinc/03/59/15/557035915.db2.gz SRZKORXIEBJNJS-UHFFFAOYSA-N 0 0 427.888 2.946 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000046124795 557037470 /nfs/dbraw/zinc/03/74/70/557037470.db2.gz PSAPIAQTCSINLI-AWEZNQCLSA-N 0 0 447.542 2.964 50 0 IFAARN O=C(CCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1nnc(C(F)(F)F)s1 ZINC000017208524 557038878 /nfs/dbraw/zinc/03/88/78/557038878.db2.gz RCNFIYOGLNVEOL-UHFFFAOYSA-N 0 0 427.452 2.620 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)N1CCC(c2ccccc2)=N1 ZINC000017226883 557039090 /nfs/dbraw/zinc/03/90/90/557039090.db2.gz HLBKIBLBHRUXMM-UHFFFAOYSA-N 0 0 430.555 2.595 50 0 IFAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)NC[C@@H]3CCCO3)c3ccccc32)C[C@H](C)O1 ZINC000017246622 557041675 /nfs/dbraw/zinc/04/16/75/557041675.db2.gz ABJGAKLODRWTJG-KSZLIROESA-N 0 0 445.585 2.664 50 0 IFAARN CC(=O)Nc1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000046145255 557043242 /nfs/dbraw/zinc/04/32/42/557043242.db2.gz GGJGRIJWHMVGKJ-UHFFFAOYSA-N 0 0 435.933 2.882 50 0 IFAARN O=C(CSC1=NCCS1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000010863317 557043383 /nfs/dbraw/zinc/04/33/83/557043383.db2.gz GJBYPYGNHATEKX-UHFFFAOYSA-N 0 0 435.596 2.509 50 0 IFAARN COc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)CC(C)C)n(C)c(=O)n3C)cc1 ZINC000046146219 557044594 /nfs/dbraw/zinc/04/45/94/557044594.db2.gz MIWCNVFAYZZGDZ-UHFFFAOYSA-N 0 0 431.514 2.703 50 0 IFAARN NS(=O)(=O)c1ccc(N[C@@H]2SC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000006148152 557046993 /nfs/dbraw/zinc/04/69/93/557046993.db2.gz CNCCJBLOTMXAHN-CYBMUJFWSA-N 0 0 431.417 2.991 50 0 IFAARN Cc1oc(-c2cccs2)nc1CC(=O)NCCS(=O)(=O)N1CCc2ccccc21 ZINC000048248414 557048158 /nfs/dbraw/zinc/04/81/58/557048158.db2.gz PGKGMGQKIKFYOR-UHFFFAOYSA-N 0 0 431.539 2.763 50 0 IFAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000048249144 557048636 /nfs/dbraw/zinc/04/86/36/557048636.db2.gz ZTJMUDXYRNBCGF-OXQOHEQNSA-N 0 0 449.598 2.933 50 0 IFAARN O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000048262349 557049980 /nfs/dbraw/zinc/04/99/80/557049980.db2.gz GCRHJXVBPGBRRX-UHFFFAOYSA-N 0 0 436.489 2.693 50 0 IFAARN Cc1ccc(NC(=O)CN2CCN(Cc3ccco3)CC2)cc1I ZINC000022932007 557050601 /nfs/dbraw/zinc/05/06/01/557050601.db2.gz BKFORAAYPOQMPC-UHFFFAOYSA-N 0 0 439.297 2.949 50 0 IFAARN CCOc1cc(C(=O)NCc2nnnn2-c2ccc(F)cc2)cc(OCC)c1OCC ZINC000017307097 557051000 /nfs/dbraw/zinc/05/10/00/557051000.db2.gz NGHLFGCSEYCDOW-UHFFFAOYSA-N 0 0 429.452 2.928 50 0 IFAARN COc1ccc(OC)c(NC(=O)N(C)CCc2noc(C(=O)NCc3ccccc3)n2)c1 ZINC000033273452 557051779 /nfs/dbraw/zinc/05/17/79/557051779.db2.gz XDQDQKLLMADEOJ-UHFFFAOYSA-N 0 0 439.472 2.723 50 0 IFAARN C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000048253987 557052467 /nfs/dbraw/zinc/05/24/67/557052467.db2.gz VXNYAGBIISIDFL-XJKSGUPXSA-N 0 0 437.418 2.897 50 0 IFAARN CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000017299367 557052751 /nfs/dbraw/zinc/05/27/51/557052751.db2.gz HMKAAYVRSBSKNZ-UHFFFAOYSA-N 0 0 439.545 2.535 50 0 IFAARN Cc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)N2CCN(C)CC2)o1 ZINC000022938369 557053408 /nfs/dbraw/zinc/05/34/08/557053408.db2.gz HJMCLFSENYHGPU-SFHVURJKSA-N 0 0 436.350 2.834 50 0 IFAARN CCc1ccc(OC[C@H](O)CN2CCN(C[C@@H](O)COc3ccc(CC)cc3)CC2)cc1 ZINC000022942667 557053813 /nfs/dbraw/zinc/05/38/13/557053813.db2.gz BOLVXGMIEUNXPG-DNQXCXABSA-N 0 0 442.600 2.609 50 0 IFAARN Cc1ccc(C)c(OC[C@H](O)CN2CCN(C[C@H](O)COc3cc(C)ccc3C)CC2)c1 ZINC000022942635 557053897 /nfs/dbraw/zinc/05/38/97/557053897.db2.gz JBTLCKCVJHHEIW-PSWAGMNNSA-N 0 0 442.600 2.717 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)c3cccc(Cl)c3)CC1)n2C ZINC000033275531 557054675 /nfs/dbraw/zinc/05/46/75/557054675.db2.gz MQUYVGJZBQECSD-UHFFFAOYSA-N 0 0 439.947 2.887 50 0 IFAARN O=S(=O)(c1ccc(S(=O)(=O)N2CCN(CC3CCCCC3)CC2)cc1)C(F)F ZINC000048289454 557054863 /nfs/dbraw/zinc/05/48/63/557054863.db2.gz IGMOYFYLZSYQQC-UHFFFAOYSA-N 0 0 436.546 2.570 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 ZINC000048290603 557055039 /nfs/dbraw/zinc/05/50/39/557055039.db2.gz XKIFVXQUHHLNHJ-UHFFFAOYSA-N 0 0 443.997 2.762 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(C)Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)cc1 ZINC000033275934 557055716 /nfs/dbraw/zinc/05/57/16/557055716.db2.gz JEEXQIQESVKCMK-UHFFFAOYSA-N 0 0 444.557 2.931 50 0 IFAARN Cc1c(Cl)cccc1-n1ccnc1SCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000022988289 557055993 /nfs/dbraw/zinc/05/59/93/557055993.db2.gz MTJBUDMLAKGQLU-UHFFFAOYSA-N 0 0 444.948 2.764 50 0 IFAARN CS(=O)(=O)Nc1ccc(-c2noc(CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 ZINC000033276317 557056283 /nfs/dbraw/zinc/05/62/83/557056283.db2.gz UQKXKKOYHZAYFZ-UHFFFAOYSA-N 0 0 434.861 2.687 50 0 IFAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccn1 ZINC000033276257 557056426 /nfs/dbraw/zinc/05/64/26/557056426.db2.gz SVZMSQYLBLZJHB-CYBMUJFWSA-N 0 0 427.486 2.623 50 0 IFAARN CCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(OC)c(OC)c3OC)cc2C1 ZINC000017316656 557057218 /nfs/dbraw/zinc/05/72/18/557057218.db2.gz VZCSBOLKFWGZRD-UHFFFAOYSA-N 0 0 434.514 2.673 50 0 IFAARN O=C(Nc1cccc(N2CCNC2=O)c1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000048280308 557057759 /nfs/dbraw/zinc/05/77/59/557057759.db2.gz WKIBUKXYPSYBNN-UHFFFAOYSA-N 0 0 434.543 2.705 50 0 IFAARN Cc1oc(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1S(=O)(=O)N1CCCC1 ZINC000048285844 557058178 /nfs/dbraw/zinc/05/81/78/557058178.db2.gz TYQIPCVYQZZHQP-CYBMUJFWSA-N 0 0 431.514 2.748 50 0 IFAARN CCOC(=O)c1sc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1C ZINC000023038990 557058642 /nfs/dbraw/zinc/05/86/42/557058642.db2.gz DVRCNAZIWWDTBB-NRFANRHFSA-N 0 0 445.497 2.648 50 0 IFAARN CCn1c(=O)c2ccccc2nc1SCCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000023053501 557060172 /nfs/dbraw/zinc/06/01/72/557060172.db2.gz XVQPFNUZMJTFOY-UHFFFAOYSA-N 0 0 433.555 2.838 50 0 IFAARN Cc1cc(C)n(-c2cccc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)c2)n1 ZINC000048299773 557061687 /nfs/dbraw/zinc/06/16/87/557061687.db2.gz YYJICHKRLQLCIF-UHFFFAOYSA-N 0 0 439.541 2.924 50 0 IFAARN O=C(Nc1cccc(-c2nnco2)c1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000023075386 557061745 /nfs/dbraw/zinc/06/17/45/557061745.db2.gz WCKMJSDNGQYAJC-HNNXBMFYSA-N 0 0 437.481 2.536 50 0 IFAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCC4)C3)c2)no1 ZINC000033279357 557062327 /nfs/dbraw/zinc/06/23/27/557062327.db2.gz PKONLXBSNYNBRT-CYBMUJFWSA-N 0 0 438.575 2.820 50 0 IFAARN COc1cc(C(=O)NCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc(OC)c1OC ZINC000023100949 557063149 /nfs/dbraw/zinc/06/31/49/557063149.db2.gz AAUWWQSTKUZIRB-GOSISDBHSA-N 0 0 444.484 2.639 50 0 IFAARN Cc1ccc(Cn2c3nn(Cc4ccccc4Cl)c(=O)n3c3cn(C)nc3c2=O)cc1 ZINC000033280870 557063229 /nfs/dbraw/zinc/06/32/29/557063229.db2.gz NXIRJHUJOMZAAJ-UHFFFAOYSA-N 0 0 434.887 2.603 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000017357990 557063775 /nfs/dbraw/zinc/06/37/75/557063775.db2.gz WZTRSNCKIUEUQK-UHFFFAOYSA-N 0 0 443.613 2.994 50 0 IFAARN CCCOc1ncccc1CNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000048302632 557063974 /nfs/dbraw/zinc/06/39/74/557063974.db2.gz JQRUHHHJIAXMHV-CALCHBBNSA-N 0 0 447.557 2.598 50 0 IFAARN COc1cccc(N2CCN(C(=O)Cn3cnc4c5cc(C)ccc5[nH]c4c3=O)CC2)c1 ZINC000023125585 557065180 /nfs/dbraw/zinc/06/51/80/557065180.db2.gz PMPGFFHGRQWOFK-UHFFFAOYSA-N 0 0 431.496 2.544 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2cnc3c4cc(C)ccc4[nH]c3c2=O)CC1 ZINC000023125578 557065190 /nfs/dbraw/zinc/06/51/90/557065190.db2.gz MAKXQCIDFYOQEZ-UHFFFAOYSA-N 0 0 431.496 2.544 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)Cn3cnc4c5cc(C)ccc5[nH]c4c3=O)CC2)cc1 ZINC000023125494 557065223 /nfs/dbraw/zinc/06/52/23/557065223.db2.gz WFUHTZQFHFLCIS-UHFFFAOYSA-N 0 0 443.507 2.738 50 0 IFAARN Cc1noc(Cn2cnc3c4ccccc4n(CC(=O)Nc4cccc(F)c4)c3c2=O)n1 ZINC000033280926 557066804 /nfs/dbraw/zinc/06/68/04/557066804.db2.gz XEXTVEPMMLVXFZ-UHFFFAOYSA-N 0 0 432.415 2.869 50 0 IFAARN CCc1noc(Cn2cnc3c4ccccc4n(CC(=O)NCc4ccccc4)c3c2=O)n1 ZINC000033280934 557066848 /nfs/dbraw/zinc/06/68/48/557066848.db2.gz ZTGPVFJZDIOJJM-UHFFFAOYSA-N 0 0 442.479 2.661 50 0 IFAARN CCc1noc(Cn2cnc3c4cc(C)ccc4n(CC(=O)N4CCC[C@@H](C)C4)c3c2=O)n1 ZINC000033281251 557067193 /nfs/dbraw/zinc/06/71/93/557067193.db2.gz LODOASHIGFFHSP-MRXNPFEDSA-N 0 0 448.527 2.912 50 0 IFAARN O=S(=O)(c1cn(Cc2noc(COc3ccc(Cl)cc3)n2)cn1)N1CCCCC1 ZINC000033281629 557067477 /nfs/dbraw/zinc/06/74/77/557067477.db2.gz ADPUXFSYGAFPHZ-UHFFFAOYSA-N 0 0 437.909 2.721 50 0 IFAARN CCc1nc(CN2CCN(C(=O)[C@@H](NC(=O)c3ccc(OC)cc3)C(C)C)CC2)cs1 ZINC000048313965 557067505 /nfs/dbraw/zinc/06/75/05/557067505.db2.gz RCQVMSAGZKIBPC-NRFANRHFSA-N 0 0 444.601 2.813 50 0 IFAARN O=C(NCc1coc(-c2cccs2)n1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000010883562 557067951 /nfs/dbraw/zinc/06/79/51/557067951.db2.gz ULFWCBZXECFNHU-MRXNPFEDSA-N 0 0 447.538 2.790 50 0 IFAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000048332312 557069863 /nfs/dbraw/zinc/06/98/63/557069863.db2.gz PRWRFLBUESKUDM-UHFFFAOYSA-N 0 0 428.432 2.577 50 0 IFAARN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)N2CCOCC2)cc1 ZINC000023156038 557070127 /nfs/dbraw/zinc/07/01/27/557070127.db2.gz KBWIFHBECUTUFB-FOIQADDNSA-N 0 0 441.553 2.931 50 0 IFAARN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)N2CCOCC2)cc1 ZINC000023156037 557070180 /nfs/dbraw/zinc/07/01/80/557070180.db2.gz KBWIFHBECUTUFB-YWZLYKJASA-N 0 0 441.553 2.931 50 0 IFAARN CCN1C[C@H](CN(C)C(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)Oc2ccccc21 ZINC000048355724 557073952 /nfs/dbraw/zinc/07/39/52/557073952.db2.gz QYPPQAAZABUNQX-PZJWPPBQSA-N 0 0 438.507 2.650 50 0 IFAARN COCCNS(=O)(=O)c1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 ZINC000010894203 557075700 /nfs/dbraw/zinc/07/57/00/557075700.db2.gz LGCZETMFLHQDTN-UHFFFAOYSA-N 0 0 431.539 2.665 50 0 IFAARN COc1ccc(CNC(=O)c2nc(Cn3nc(-c4ccc(C)cc4)ccc3=O)no2)cc1 ZINC000033292411 557075747 /nfs/dbraw/zinc/07/57/47/557075747.db2.gz UPHUNQCYOFWBPY-UHFFFAOYSA-N 0 0 431.452 2.589 50 0 IFAARN Cc1cc(C)n(CCCNC(=O)[C@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000023246084 557078015 /nfs/dbraw/zinc/07/80/15/557078015.db2.gz PKHYSVHEMAEXPI-ZDUSSCGKSA-N 0 0 433.361 2.680 50 0 IFAARN Cc1ccc(C(=O)NCC(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)s1 ZINC000072280437 557081046 /nfs/dbraw/zinc/08/10/46/557081046.db2.gz RZCJCTMTGCQQQY-UHFFFAOYSA-N 0 0 445.976 2.822 50 0 IFAARN O=C(C[C@H]1Oc2ccccc2NC1=O)OCc1nnc(-c2ccc(Br)o2)o1 ZINC000023267882 557081201 /nfs/dbraw/zinc/08/12/01/557081201.db2.gz NNSRHVCFNCJPJL-GFCCVEGCSA-N 0 0 434.202 2.925 50 0 IFAARN CN(CC(=O)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)S(C)(=O)=O ZINC000048984860 557081630 /nfs/dbraw/zinc/08/16/30/557081630.db2.gz SEXBZXIDLIMWII-UHFFFAOYSA-N 0 0 440.494 2.679 50 0 IFAARN COc1ccc(Nc2nnc(SCC(=O)Nc3nc(OC)cc(OC)n3)s2)cc1 ZINC000011308861 557082168 /nfs/dbraw/zinc/08/21/68/557082168.db2.gz OLQNPEHDOLWYOP-UHFFFAOYSA-N 0 0 434.503 2.828 50 0 IFAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000011310986 557082450 /nfs/dbraw/zinc/08/24/50/557082450.db2.gz MZZYLOXFHXLLTD-UHFFFAOYSA-N 0 0 447.799 2.861 50 0 IFAARN COc1cccc(N2CCN(c3cc(SCC(=O)NCc4ccco4)ncn3)CC2)c1 ZINC000033301506 557083292 /nfs/dbraw/zinc/08/32/92/557083292.db2.gz RQRHBJWAGDLDMZ-UHFFFAOYSA-N 0 0 439.541 2.813 50 0 IFAARN Cc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccccc4F)CC3)nc2N)cc1C ZINC000033301942 557083583 /nfs/dbraw/zinc/08/35/83/557083583.db2.gz BCWWIIGVDSQNOK-UHFFFAOYSA-N 0 0 441.532 2.974 50 0 IFAARN COc1ccccc1NC(=O)Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O ZINC000049006636 557085472 /nfs/dbraw/zinc/08/54/72/557085472.db2.gz ICLVLWPEHFJOGJ-UHFFFAOYSA-N 0 0 442.435 2.860 50 0 IFAARN COc1ccccc1NC(=O)Cn1nc2c(Oc3ccc(Cl)cc3)nccn2c1=O ZINC000049008722 557086638 /nfs/dbraw/zinc/08/66/38/557086638.db2.gz AUBQYLYDVXQYCE-UHFFFAOYSA-N 0 0 425.832 2.984 50 0 IFAARN O=C(c1ccc(F)cc1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023359271 557087337 /nfs/dbraw/zinc/08/73/37/557087337.db2.gz GTJHWDBIRDXEQZ-NRFANRHFSA-N 0 0 425.504 2.977 50 0 IFAARN NC(=O)CCc1nnc(SCc2ccccc2Br)n1C[C@H]1CCCO1 ZINC000023369013 557088364 /nfs/dbraw/zinc/08/83/64/557088364.db2.gz ZOVAVCSXGDMCLS-CYBMUJFWSA-N 0 0 425.352 2.930 50 0 IFAARN O=C(NCC1(N2CCOCC2)CCCCC1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000023367012 557088375 /nfs/dbraw/zinc/08/83/75/557088375.db2.gz IBIQKFRBLUUYCY-NRFANRHFSA-N 0 0 445.579 2.758 50 0 IFAARN O=C(Cn1cnc(-c2cccs2)cc1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000049028358 557088638 /nfs/dbraw/zinc/08/86/38/557088638.db2.gz ZJBUQHDVURSGNJ-UHFFFAOYSA-N 0 0 449.458 2.734 50 0 IFAARN CCN(CC)c1nc2ccsc2c(=O)n1CC(=O)NCc1cc(OC)ccc1OC ZINC000033308758 557089795 /nfs/dbraw/zinc/08/97/95/557089795.db2.gz ZGQXDQCQJVVWBD-UHFFFAOYSA-N 0 0 430.530 2.638 50 0 IFAARN CCOc1ccc(NC(=O)Cn2cc(C(=O)N3CCCC3)c(=O)c3ccc(C)nc32)cc1 ZINC000049002226 557089868 /nfs/dbraw/zinc/08/98/68/557089868.db2.gz KLRNPRPVBWPKOC-UHFFFAOYSA-N 0 0 434.496 2.978 50 0 IFAARN O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccccc1OC(F)(F)F ZINC000023402344 557090620 /nfs/dbraw/zinc/09/06/20/557090620.db2.gz PBBMGXFZVGYVCW-UHFFFAOYSA-N 0 0 430.448 2.896 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(CSCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1 ZINC000023414702 557091810 /nfs/dbraw/zinc/09/18/10/557091810.db2.gz HGIMBZNQESJQSV-UHFFFAOYSA-N 0 0 447.582 2.934 50 0 IFAARN O=C(Cn1nc2c3sc(N4CCCCC4)nc3ncn2c1=O)Nc1cccc(Cl)c1 ZINC000033309275 557092670 /nfs/dbraw/zinc/09/26/70/557092670.db2.gz XZCFMMGJTKFFLD-UHFFFAOYSA-N 0 0 443.920 2.783 50 0 IFAARN O=C(Cn1nc2c3sc(N4CCCCC4)nc3ncn2c1=O)Nc1ccc2c(c1)CCC2 ZINC000033309318 557093022 /nfs/dbraw/zinc/09/30/22/557093022.db2.gz HPPWZABVWYKXTN-UHFFFAOYSA-N 0 0 449.540 2.618 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)n1nc(-c2ccc(F)cc2)ccc1=O ZINC000049059905 557093522 /nfs/dbraw/zinc/09/35/22/557093522.db2.gz BPXITFHARMUTFZ-ZDUSSCGKSA-N 0 0 430.461 2.621 50 0 IFAARN COc1cc(CN(C)C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)ccc1OC(F)F ZINC000023498358 557094949 /nfs/dbraw/zinc/09/49/49/557094949.db2.gz HSQCXXVYKMBZCX-UHFFFAOYSA-N 0 0 439.459 2.900 50 0 IFAARN Cc1ccc(CNC(=O)CSc2cc(N3CCC(C(=O)NC4CC4)CC3)ncn2)cc1 ZINC000033312125 557095735 /nfs/dbraw/zinc/09/57/35/557095735.db2.gz GFUADSPWZCXKAC-UHFFFAOYSA-N 0 0 439.585 2.689 50 0 IFAARN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C ZINC000023524769 557095822 /nfs/dbraw/zinc/09/58/22/557095822.db2.gz JCPQDYRVEPHEEA-IERDGZPVSA-N 0 0 432.542 2.947 50 0 IFAARN O=C(CSc1cc(N2CCC(C(=O)NC3CC3)CC2)ncn1)NCc1ccc(F)cc1 ZINC000033312129 557096022 /nfs/dbraw/zinc/09/60/22/557096022.db2.gz WYEUBCWRXFDUAY-UHFFFAOYSA-N 0 0 443.548 2.519 50 0 IFAARN COc1ccc(-c2cn(C)c3c2ncn(CC(=O)Nc2ccc4c(c2)OCCO4)c3=O)cc1 ZINC000049401430 557097030 /nfs/dbraw/zinc/09/70/30/557097030.db2.gz GCVIQMUFSVAKNP-UHFFFAOYSA-N 0 0 446.463 2.821 50 0 IFAARN Cc1ccccc1N1CCN(C(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCCC2)CC1 ZINC000033312760 557097119 /nfs/dbraw/zinc/09/71/19/557097119.db2.gz JBRSCYNJUCJYMA-SANMLTNESA-N 0 0 446.595 2.865 50 0 IFAARN C=Cc1ccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(C)cc32)cc1 ZINC000049402748 557098260 /nfs/dbraw/zinc/09/82/60/557098260.db2.gz HCCUJACHAFXTIL-UHFFFAOYSA-N 0 0 425.510 2.604 50 0 IFAARN COc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3cccc(Cl)c3)NC2=O)cc1 ZINC000049403003 557098533 /nfs/dbraw/zinc/09/85/33/557098533.db2.gz ALBLFTCBSAQWCI-LJQANCHMSA-N 0 0 427.844 2.865 50 0 IFAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)nn2)cc1C ZINC000049406300 557099758 /nfs/dbraw/zinc/09/97/58/557099758.db2.gz GFAJQVJXWOKOAO-UHFFFAOYSA-N 0 0 435.503 2.987 50 0 IFAARN COc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)c1 ZINC000049406352 557101581 /nfs/dbraw/zinc/10/15/81/557101581.db2.gz JRRLFRJAEULMOW-UHFFFAOYSA-N 0 0 433.512 2.927 50 0 IFAARN COc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)CC2)c1 ZINC000049406181 557101613 /nfs/dbraw/zinc/10/16/13/557101613.db2.gz XGFHOOXCEUECCC-UHFFFAOYSA-N 0 0 439.903 2.964 50 0 IFAARN COc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)c(C)c4)nn3)CC2)c1 ZINC000049406505 557101918 /nfs/dbraw/zinc/10/19/18/557101918.db2.gz GWKKQLICYLNQME-UHFFFAOYSA-N 0 0 437.475 2.758 50 0 IFAARN CSc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3nccs3)n2C)c1 ZINC000072191888 557102097 /nfs/dbraw/zinc/10/20/97/557102097.db2.gz JKVJAPRHNBTQMO-UHFFFAOYSA-N 0 0 434.572 2.906 50 0 IFAARN COc1ccccc1[C@@H](Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1nccn1C ZINC000017591297 557102301 /nfs/dbraw/zinc/10/23/01/557102301.db2.gz VUQZFFTZIATHDI-HXUWFJFHSA-N 0 0 427.530 2.810 50 0 IFAARN Cc1nc(-c2ccccc2)cc2nn(CC(=O)NCc3ccc(F)c(Cl)c3)c(=O)n21 ZINC000049407197 557102599 /nfs/dbraw/zinc/10/25/99/557102599.db2.gz LDTMRCXTOUZQHX-UHFFFAOYSA-N 0 0 425.851 2.975 50 0 IFAARN CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1=O ZINC000049409850 557105329 /nfs/dbraw/zinc/10/53/29/557105329.db2.gz PZBFDWLFLOQGQI-UHFFFAOYSA-N 0 0 447.948 2.562 50 0 IFAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)c3cccs3)CC1)C2=O ZINC000023674244 557105401 /nfs/dbraw/zinc/10/54/01/557105401.db2.gz YTIYBGYEENGKTK-UHFFFAOYSA-N 0 0 432.590 2.990 50 0 IFAARN COCCn1c(=O)c2ccccc2nc1S[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000017660754 557105543 /nfs/dbraw/zinc/10/55/43/557105543.db2.gz IWEYEVQHFILSIB-HXUWFJFHSA-N 0 0 439.537 2.735 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O ZINC000049410499 557105808 /nfs/dbraw/zinc/10/58/08/557105808.db2.gz UXXHVCFTKIQSDO-UHFFFAOYSA-N 0 0 431.558 2.923 50 0 IFAARN CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)ccc1=O ZINC000023681269 557105952 /nfs/dbraw/zinc/10/59/52/557105952.db2.gz UIHFWHVBJAGRCG-HZPDHXFCSA-N 0 0 432.546 2.857 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3nc(Nc4ccc(F)cc4)ccn3c2=O)cc1F ZINC000049410793 557106125 /nfs/dbraw/zinc/10/61/25/557106125.db2.gz PSXABOQVQXUTDZ-UHFFFAOYSA-N 0 0 426.383 2.560 50 0 IFAARN Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)n2)n1 ZINC000049411627 557106875 /nfs/dbraw/zinc/10/68/75/557106875.db2.gz RRBNEBFVKWIUAL-UHFFFAOYSA-N 0 0 445.571 2.844 50 0 IFAARN COc1ccccc1NC(=O)CN1CN(c2ccc(F)cc2)c2ncccc2S1(=O)=O ZINC000049411556 557106912 /nfs/dbraw/zinc/10/69/12/557106912.db2.gz LCEFYNYYJUBWMW-UHFFFAOYSA-N 0 0 442.472 2.968 50 0 IFAARN COc1ccc(-c2nc3n(c2C(=O)NCc2cccc(Cl)c2)CCS3(=O)=O)cc1 ZINC000086069262 557107764 /nfs/dbraw/zinc/10/77/64/557107764.db2.gz CSSKGONUUAHISM-UHFFFAOYSA-N 0 0 431.901 2.929 50 0 IFAARN COc1ccc(-c2nc3n(c2C(=O)Nc2cc(OC)cc(OC)c2)CCS3(=O)=O)cc1 ZINC000086069312 557107847 /nfs/dbraw/zinc/10/78/47/557107847.db2.gz LXTMEMRYFBKAMD-UHFFFAOYSA-N 0 0 443.481 2.616 50 0 IFAARN O=C(c1cc(-c2cccs2)on1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000585148524 557109353 /nfs/dbraw/zinc/10/93/53/557109353.db2.gz RMNMDKKZBMBMGZ-UHFFFAOYSA-N 0 0 442.419 2.834 50 0 IFAARN O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2)NCc1ccccc1Cl ZINC000049544678 557111200 /nfs/dbraw/zinc/11/12/00/557111200.db2.gz VRJFXMBTGUZJGO-UHFFFAOYSA-N 0 0 432.267 2.656 50 0 IFAARN Cc1sc2ncnc(SCCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c2c1C ZINC000049545755 557111457 /nfs/dbraw/zinc/11/14/57/557111457.db2.gz QEVCXNRZRJDCHM-UHFFFAOYSA-N 0 0 436.584 2.754 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)N3CCN(Cc4cccs4)CC3)c(C)n2n1 ZINC000023736580 557111986 /nfs/dbraw/zinc/11/19/86/557111986.db2.gz VWENTIDCCMJFLC-UHFFFAOYSA-N 0 0 430.603 2.802 50 0 IFAARN COc1ccccc1[C@@H](CNC(=O)CCc1c(C)nc2nc(SC)nn2c1C)N(C)C ZINC000023737051 557112042 /nfs/dbraw/zinc/11/20/42/557112042.db2.gz XJXUJMXRHAIUOJ-GOSISDBHSA-N 0 0 442.589 2.823 50 0 IFAARN O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2)NCc1ccc(Cl)cc1 ZINC000049550219 557112882 /nfs/dbraw/zinc/11/28/82/557112882.db2.gz HRHZKUBVCARRIJ-UHFFFAOYSA-N 0 0 432.267 2.656 50 0 IFAARN Cc1cc2c(nc(CSCC(=O)Nc3ccc(Cn4cncn4)cc3)[nH]c2=O)s1 ZINC000049550299 557113341 /nfs/dbraw/zinc/11/33/41/557113341.db2.gz HUAOFHYTDJXAOL-UHFFFAOYSA-N 0 0 426.527 2.805 50 0 IFAARN COc1ccc(Cl)c(NC(=O)[C@H]2CC(=O)Nc3c2c(=O)[nH]c(=O)n3CCC(C)C)c1 ZINC000049551754 557113483 /nfs/dbraw/zinc/11/34/83/557113483.db2.gz GTGTWCVOPBDLPY-LBPRGKRZSA-N 0 0 434.880 2.959 50 0 IFAARN Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 ZINC000011365316 557114030 /nfs/dbraw/zinc/11/40/30/557114030.db2.gz DROUPXXPDNUSLZ-SJORKVTESA-N 0 0 431.562 2.721 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c(=O)ccn(Cc2ccccc2Cl)c1=O ZINC000033331163 557114909 /nfs/dbraw/zinc/11/49/09/557114909.db2.gz ZYQDKTDMMCIVOF-KRWDZBQOSA-N 0 0 425.916 2.849 50 0 IFAARN COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1Br ZINC000000813075 557116374 /nfs/dbraw/zinc/11/63/74/557116374.db2.gz JJCUYJPHGXFENK-UHFFFAOYSA-N 0 0 430.320 2.996 50 0 IFAARN NC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c2ccccc2O1 ZINC000049643468 557117000 /nfs/dbraw/zinc/11/70/00/557117000.db2.gz PNUCJYASGYPKPM-WZONZLPQSA-N 0 0 443.503 2.972 50 0 IFAARN O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000023805402 557117052 /nfs/dbraw/zinc/11/70/52/557117052.db2.gz ZUIKTLDDXTUKRN-NRFANRHFSA-N 0 0 441.959 2.837 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc32)C1 ZINC000049693980 557117856 /nfs/dbraw/zinc/11/78/56/557117856.db2.gz NAYWQDLADIKUBN-YLZCUGDYSA-N 0 0 444.557 2.505 50 0 IFAARN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000023817777 557118099 /nfs/dbraw/zinc/11/80/99/557118099.db2.gz AWRFXYZYMYLURF-DEOSSOPVSA-N 0 0 437.496 2.509 50 0 IFAARN COc1ccc([C@@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)N2CCOCC2)cc1 ZINC000023818472 557118399 /nfs/dbraw/zinc/11/83/99/557118399.db2.gz CZXTWSJAXQSLDH-CTNGQTDRSA-N 0 0 441.553 2.688 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000023820004 557119325 /nfs/dbraw/zinc/11/93/25/557119325.db2.gz ZHYQVCDSKTUYBG-UHFFFAOYSA-N 0 0 442.585 2.604 50 0 IFAARN O=C(Cc1cccc2ccccc21)NCC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000023846200 557120183 /nfs/dbraw/zinc/12/01/83/557120183.db2.gz NVTYCBITMQKUMR-UHFFFAOYSA-N 0 0 431.536 2.722 50 0 IFAARN Cc1ccccc1-n1cnnc1SCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000023873206 557122022 /nfs/dbraw/zinc/12/20/22/557122022.db2.gz VKWIXHOUUWPTRA-HXUWFJFHSA-N 0 0 437.569 2.685 50 0 IFAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000023882702 557123362 /nfs/dbraw/zinc/12/33/62/557123362.db2.gz KIAGYOPZIBUDKW-UHFFFAOYSA-N 0 0 428.587 2.777 50 0 IFAARN COc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n(Cc2ccc(OC)cc2)c3=O)cc1 ZINC000004791447 557125047 /nfs/dbraw/zinc/12/50/47/557125047.db2.gz WMMKJBKXDJXOPX-UHFFFAOYSA-N 0 0 445.475 2.685 50 0 IFAARN COc1cc2[nH]c(=O)n(CCCC(=O)N[C@H](C)CCc3ccccc3)c(=O)c2cc1OC ZINC000004792549 557125759 /nfs/dbraw/zinc/12/57/59/557125759.db2.gz SAKLPOAGKHFNHQ-MRXNPFEDSA-N 0 0 439.512 2.625 50 0 IFAARN O=C(COc1ccccc1)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2 ZINC000008951542 557127735 /nfs/dbraw/zinc/12/77/35/557127735.db2.gz NOMIMWNSISPWEH-CQSZACIVSA-N 0 0 448.566 2.561 50 0 IFAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1F ZINC000011375671 557129588 /nfs/dbraw/zinc/12/95/88/557129588.db2.gz MUODTSRFRQKODY-RDJZCZTQSA-N 0 0 449.552 2.861 50 0 IFAARN CCn1c(=O)c2c(nc1SCC(=O)N1CCN(c3ccccc3)CC1)C[C@H](C)S2 ZINC000004800824 557130172 /nfs/dbraw/zinc/13/01/72/557130172.db2.gz IJMGEDNQQFHRSA-HNNXBMFYSA-N 0 0 430.599 2.741 50 0 IFAARN Cn1c2ncn(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000000664889 557131896 /nfs/dbraw/zinc/13/18/96/557131896.db2.gz PQKXQHCFOSEKHB-UHFFFAOYSA-N 0 0 426.423 2.518 50 0 IFAARN Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000024085741 557135797 /nfs/dbraw/zinc/13/57/97/557135797.db2.gz KSRFRZRDADKCRH-UUOWRZLLSA-N 0 0 440.496 2.672 50 0 IFAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000010932110 557136769 /nfs/dbraw/zinc/13/67/69/557136769.db2.gz VBNZBIZZVCVGFX-HNNXBMFYSA-N 0 0 435.473 2.583 50 0 IFAARN CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(I)cc1 ZINC000000705218 557139638 /nfs/dbraw/zinc/13/96/38/557139638.db2.gz UNYRCQYKEAODQZ-QWHCGFSZSA-N 0 0 432.258 2.600 50 0 IFAARN Cc1cc(N2CCN(C(=O)C3CCN(C(=O)c4ccco4)CC3)CC2)nc(C(C)C)n1 ZINC000024219436 557141458 /nfs/dbraw/zinc/14/14/58/557141458.db2.gz YEAFNZMFKFFACY-UHFFFAOYSA-N 0 0 425.533 2.702 50 0 IFAARN COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 ZINC000011416661 557143211 /nfs/dbraw/zinc/14/32/11/557143211.db2.gz PNJODCYLYFJFKL-UHFFFAOYSA-N 0 0 431.876 2.853 50 0 IFAARN COc1ccc([C@H]2CCCCCN2C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1 ZINC000024393508 557146348 /nfs/dbraw/zinc/14/63/48/557146348.db2.gz HZHCPJWTGOZXJT-OAQYLSRUSA-N 0 0 447.557 2.802 50 0 IFAARN CN(Cc1cnn(C)c1)C(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000024480689 557147974 /nfs/dbraw/zinc/14/79/74/557147974.db2.gz PLTFCFZYUISHRL-UHFFFAOYSA-N 0 0 430.555 2.501 50 0 IFAARN COc1cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1OC(F)F ZINC000011449613 557148063 /nfs/dbraw/zinc/14/80/63/557148063.db2.gz HYNCJCLKPLMVHK-UHFFFAOYSA-N 0 0 446.497 2.941 50 0 IFAARN Nc1ncccc1C(=O)OCC(=O)Nc1ccc(Br)cc1Br ZINC000024601458 557152526 /nfs/dbraw/zinc/15/25/26/557152526.db2.gz OKHMTRXSIUXPFL-UHFFFAOYSA-N 0 0 429.068 2.984 50 0 IFAARN O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000024601368 557152538 /nfs/dbraw/zinc/15/25/38/557152538.db2.gz KDZBDZGIFAPBOQ-UHFFFAOYSA-N 0 0 439.990 2.800 50 0 IFAARN CN(Cc1ccccc1F)C(=O)CSc1nnc(N2CCOCC2)n1Cc1ccco1 ZINC000011485737 557152831 /nfs/dbraw/zinc/15/28/31/557152831.db2.gz HCUNXKJMPBTMGS-UHFFFAOYSA-N 0 0 445.520 2.646 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000000724079 557153267 /nfs/dbraw/zinc/15/32/67/557153267.db2.gz WAAMUJQNJOUNNF-BXBHGGAKSA-N 0 0 428.897 2.963 50 0 IFAARN COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 ZINC000024609082 557154368 /nfs/dbraw/zinc/15/43/68/557154368.db2.gz GEWAODRLPVSJMK-UHFFFAOYSA-N 0 0 430.526 2.962 50 0 IFAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1 ZINC000024611971 557155131 /nfs/dbraw/zinc/15/51/31/557155131.db2.gz HXTSXMLGURVUKK-UHFFFAOYSA-N 0 0 441.597 2.886 50 0 IFAARN COc1cc(OC)c(OC)cc1CNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023297392 557155304 /nfs/dbraw/zinc/15/53/04/557155304.db2.gz PGFBBFNAHRAXSQ-UHFFFAOYSA-N 0 0 447.963 2.800 50 0 IFAARN O=C(NCc1ccccn1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613398 557155692 /nfs/dbraw/zinc/15/56/92/557155692.db2.gz YGEGITPYPHTBBC-UHFFFAOYSA-N 0 0 425.913 2.732 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 ZINC000024613076 557155782 /nfs/dbraw/zinc/15/57/82/557155782.db2.gz ACHQHGNOHXNMMH-UHFFFAOYSA-N 0 0 433.505 2.965 50 0 IFAARN CSCC[C@@H](C(=O)N(C)CC(=O)Nc1cccc(F)c1)N1C(=O)c2ccccc2C1=O ZINC000018006925 557155926 /nfs/dbraw/zinc/15/59/26/557155926.db2.gz MKDZEYCQQYGHCS-SFHVURJKSA-N 0 0 443.500 2.641 50 0 IFAARN Cc1ccnc(S[C@H]2CC(=O)N(c3ccccc3I)C2=O)n1 ZINC000095396969 557156854 /nfs/dbraw/zinc/15/68/54/557156854.db2.gz AKAYZUTZQRYVPT-LBPRGKRZSA-N 0 0 425.251 2.814 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000011515825 557156818 /nfs/dbraw/zinc/15/68/18/557156818.db2.gz IXGQICMOCGHYNY-HNNXBMFYSA-N 0 0 443.472 2.610 50 0 IFAARN O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000095483236 557157458 /nfs/dbraw/zinc/15/74/58/557157458.db2.gz OWPLGTCMPHVOQU-LJQANCHMSA-N 0 0 441.915 2.514 50 0 IFAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000024681470 557158281 /nfs/dbraw/zinc/15/82/81/557158281.db2.gz SOBNMUUQFXUNJF-IBGZPJMESA-N 0 0 430.530 2.875 50 0 IFAARN COC(=O)c1csc(N2N=C3c4ccc(OC)cc4CC[C@@H]3[C@]2(O)C(F)(F)F)n1 ZINC000016957624 557159161 /nfs/dbraw/zinc/15/91/61/557159161.db2.gz GUGKDIFGPJWWEK-SJCJKPOMSA-N 0 0 427.404 2.976 50 0 IFAARN O=S(=O)(c1ccc(SC[C@@H]2CCCO2)nc1)N1CCN(Cc2ccccc2)CC1 ZINC000024715697 557160365 /nfs/dbraw/zinc/16/03/65/557160365.db2.gz MUXVLHRBRJYKAK-IBGZPJMESA-N 0 0 433.599 2.859 50 0 IFAARN C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000024746797 557161313 /nfs/dbraw/zinc/16/13/13/557161313.db2.gz DBVLTJXOHYJYEA-OAQYLSRUSA-N 0 0 442.648 2.779 50 0 IFAARN O=C(CNS(=O)(=O)c1cccc(Cl)c1)NC[C@H]1CCCN1c1nc2ccccc2o1 ZINC000206772159 557162143 /nfs/dbraw/zinc/16/21/43/557162143.db2.gz QAKFVTFRFDRRAA-OAHLLOKOSA-N 0 0 448.932 2.545 50 0 IFAARN CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN2c2nccs2)cc1 ZINC000206778727 557162158 /nfs/dbraw/zinc/16/21/58/557162158.db2.gz QEEPURONLRPRDJ-MRXNPFEDSA-N 0 0 436.603 2.504 50 0 IFAARN Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095938933 557162365 /nfs/dbraw/zinc/16/23/65/557162365.db2.gz FLJARLFRPUHVQQ-HOTGVXAUSA-N 0 0 439.578 2.716 50 0 IFAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc2c(c1)nn(C)c2OC ZINC000206799264 557164056 /nfs/dbraw/zinc/16/40/56/557164056.db2.gz UWIJVAFDRWHBEB-KDOFPFPSSA-N 0 0 427.432 2.556 50 0 IFAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N3CCCC3)c1)CS2 ZINC000024761177 557164258 /nfs/dbraw/zinc/16/42/58/557164258.db2.gz CHDDOQBFQAKASW-KSSFIOAISA-N 0 0 443.978 2.517 50 0 IFAARN O=C(Cc1csc(N2CCCC2=O)n1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024764146 557164529 /nfs/dbraw/zinc/16/45/29/557164529.db2.gz IYYXLPFFESELGR-UHFFFAOYSA-N 0 0 440.506 2.778 50 0 IFAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000024765574 557164924 /nfs/dbraw/zinc/16/49/24/557164924.db2.gz RPSCPTZAPGFYPH-UHFFFAOYSA-N 0 0 437.496 2.949 50 0 IFAARN O=C(COC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000069923942 557167400 /nfs/dbraw/zinc/16/74/00/557167400.db2.gz CDNOYJGXNOSCNY-GOSISDBHSA-N 0 0 438.455 2.989 50 0 IFAARN CCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nnc1-c1ccc(Cl)cc1 ZINC000024866447 557172489 /nfs/dbraw/zinc/17/24/89/557172489.db2.gz QFOSZNLSBPNNIK-UHFFFAOYSA-N 0 0 437.997 2.938 50 0 IFAARN C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CC(=O)NCc1ccccc1OC(F)(F)F)C2=O ZINC000024840804 557173271 /nfs/dbraw/zinc/17/32/71/557173271.db2.gz LLZRUWOKOIVOSK-CHWSQXEVSA-N 0 0 427.423 2.948 50 0 IFAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCC1 ZINC000000778642 557173998 /nfs/dbraw/zinc/17/39/98/557173998.db2.gz FSVBEPVVCTVGKG-UHFFFAOYSA-N 0 0 434.489 2.805 50 0 IFAARN CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OCCC ZINC000024849365 557174208 /nfs/dbraw/zinc/17/42/08/557174208.db2.gz AMFDLQXUAPIOQZ-UHFFFAOYSA-N 0 0 431.489 2.572 50 0 IFAARN O=C(CN1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1)NCc1ccccc1 ZINC000024865205 557175232 /nfs/dbraw/zinc/17/52/32/557175232.db2.gz SOULHQUXAHEDPP-UHFFFAOYSA-N 0 0 432.524 2.735 50 0 IFAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)cc1 ZINC000024873690 557175946 /nfs/dbraw/zinc/17/59/46/557175946.db2.gz NFLJOWOAJQRPOZ-NRFANRHFSA-N 0 0 432.542 2.987 50 0 IFAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1cccc(Nc2ncccn2)c1 ZINC000024871144 557176020 /nfs/dbraw/zinc/17/60/20/557176020.db2.gz GCIFZBSZHHKIAZ-UHFFFAOYSA-N 0 0 432.484 2.810 50 0 IFAARN C[C@@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)c1nc(N)nc(N(C)C)n1 ZINC000024904229 557177982 /nfs/dbraw/zinc/17/79/82/557177982.db2.gz YLRZTAFTXRJSFF-NWDGAFQWSA-N 0 0 431.545 2.716 50 0 IFAARN C[C@H](c1nnc(S[C@@H](C)c2nc(N)nc(N(C)C)n2)n1-c1ccc(F)cc1)N(C)C ZINC000024904220 557178064 /nfs/dbraw/zinc/17/80/64/557178064.db2.gz YLRZTAFTXRJSFF-NEPJUHHUSA-N 0 0 431.545 2.716 50 0 IFAARN CCS(=O)(=O)N1CCC(NC(=O)c2cccnc2SCc2c(C)noc2C)CC1 ZINC000024924951 557179572 /nfs/dbraw/zinc/17/95/72/557179572.db2.gz NTFYKCRUNGWEBJ-UHFFFAOYSA-N 0 0 438.575 2.523 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000010969336 557179770 /nfs/dbraw/zinc/17/97/70/557179770.db2.gz XLSJUCWXENYNAU-CQSZACIVSA-N 0 0 425.510 2.953 50 0 IFAARN CNC(=O)c1ccc(CN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000024925331 557179776 /nfs/dbraw/zinc/17/97/76/557179776.db2.gz KFPIYLFKAHDEBG-UHFFFAOYSA-N 0 0 438.553 2.814 50 0 IFAARN O=C(COc1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000024926464 557180193 /nfs/dbraw/zinc/18/01/93/557180193.db2.gz XXKATNSCKHACFR-UHFFFAOYSA-N 0 0 446.422 2.756 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000024885397 557180703 /nfs/dbraw/zinc/18/07/03/557180703.db2.gz OSZJNZTWPZJSFZ-AWEZNQCLSA-N 0 0 442.497 2.544 50 0 IFAARN C[C@H](NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000024958382 557182426 /nfs/dbraw/zinc/18/24/26/557182426.db2.gz TZIMGOWUJFXDHJ-ZDUSSCGKSA-N 0 0 427.482 2.742 50 0 IFAARN COc1cccc(-c2cc(C(=O)N(CCC(=O)N3CCN(C)CC3)CC(C)C)no2)c1 ZINC000096210473 557183298 /nfs/dbraw/zinc/18/32/98/557183298.db2.gz ZOFQXQUNIFMQSC-UHFFFAOYSA-N 0 0 428.533 2.613 50 0 IFAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3ccc[nH]c3=O)cc2Cl)c1 ZINC000024969683 557183787 /nfs/dbraw/zinc/18/37/87/557183787.db2.gz WLFGGJQKOIDYSR-UHFFFAOYSA-N 0 0 445.884 2.936 50 0 IFAARN C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000009263257 557184678 /nfs/dbraw/zinc/18/46/78/557184678.db2.gz XYYQAFOEZWSDSY-ZDUSSCGKSA-N 0 0 439.497 2.766 50 0 IFAARN Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCc2ccccc21 ZINC000009263360 557184904 /nfs/dbraw/zinc/18/49/04/557184904.db2.gz ZJGUEVXBPKCFGU-UHFFFAOYSA-N 0 0 439.516 2.608 50 0 IFAARN O=C(CN1CCN(CCO)CC1)N[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000096235385 557185329 /nfs/dbraw/zinc/18/53/29/557185329.db2.gz NNBUVIDQCALOBO-LJQANCHMSA-N 0 0 431.989 2.815 50 0 IFAARN CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000024985561 557186211 /nfs/dbraw/zinc/18/62/11/557186211.db2.gz RMSJMHFEHJYAIL-MLGOLLRUSA-N 0 0 446.447 2.796 50 0 IFAARN COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1c(Cl)cccc1Cl ZINC000024985635 557186491 /nfs/dbraw/zinc/18/64/91/557186491.db2.gz DMDPKWGVWFHMSZ-BONVTDFDSA-N 0 0 433.313 2.694 50 0 IFAARN Cc1ccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n(C)c2c1C ZINC000100821312 557187864 /nfs/dbraw/zinc/18/78/64/557187864.db2.gz GVERWGFNUSTBEU-QURGRASLSA-N 0 0 445.566 2.619 50 0 IFAARN COc1ccc(CN2CCN(C(=O)CCn3cnc4c(C)cccc4c3=O)CC2)cc1F ZINC000025005593 557189016 /nfs/dbraw/zinc/18/90/16/557189016.db2.gz LQNDWLICYWGIKF-UHFFFAOYSA-N 0 0 438.503 2.587 50 0 IFAARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)CC(F)(F)F)C2=O)cc(OC)c1OC ZINC000098004376 557189510 /nfs/dbraw/zinc/18/95/10/557189510.db2.gz QEERGXKGLJMKIK-MDWZMJQESA-N 0 0 448.419 2.817 50 0 IFAARN CCn1c(CC(=O)Nc2nccs2)nnc1SCC(=O)Nc1cccc(C(C)=O)c1 ZINC000009615138 557192185 /nfs/dbraw/zinc/19/21/85/557192185.db2.gz FCMBMBKQBHFNFP-UHFFFAOYSA-N 0 0 444.542 2.869 50 0 IFAARN COCCn1c2ccc(Cl)cc2s/c1=N\C(=O)CN1C(=O)c2ccccc2C1=O ZINC000100872495 557193834 /nfs/dbraw/zinc/19/38/34/557193834.db2.gz UYRBAMANWLANAC-XDOYNYLZSA-N 0 0 429.885 2.726 50 0 IFAARN CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc(Nc3ncccn3)c2)c1 ZINC000025087722 557195267 /nfs/dbraw/zinc/19/52/67/557195267.db2.gz RASVMDUNKXNTFD-UHFFFAOYSA-N 0 0 425.514 2.837 50 0 IFAARN COC(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C ZINC000025179874 557199186 /nfs/dbraw/zinc/19/91/86/557199186.db2.gz RRWBIQMHBLCTDO-NRFANRHFSA-N 0 0 440.496 2.834 50 0 IFAARN COC(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O ZINC000025179402 557199195 /nfs/dbraw/zinc/19/91/95/557199195.db2.gz XCMPUSZJOUILBW-LJQANCHMSA-N 0 0 438.505 2.780 50 0 IFAARN Cc1nn(-c2ccc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2)c(C)c1Cl ZINC000025194881 557199800 /nfs/dbraw/zinc/19/98/00/557199800.db2.gz WPNYWPVYRYHBPB-UHFFFAOYSA-N 0 0 429.952 2.523 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCO4)cc1 ZINC000100911622 557200009 /nfs/dbraw/zinc/20/00/09/557200009.db2.gz KGKLWPWQHSXRRR-QZQOTICOSA-N 0 0 447.538 2.740 50 0 IFAARN CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 ZINC000096562000 557203100 /nfs/dbraw/zinc/20/31/00/557203100.db2.gz YTYHDXDBAXMQJE-OAQYLSRUSA-N 0 0 437.544 2.890 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2Cl)c2c(O)n(-c3ccccc3OC)c(O)c12 ZINC000100941877 557203098 /nfs/dbraw/zinc/20/30/98/557203098.db2.gz AUGSMCADSQQDSH-AEFFLSMTSA-N 0 0 427.844 2.646 50 0 IFAARN CC(C)(C)NC(=O)NC(=O)CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000025381479 557206688 /nfs/dbraw/zinc/20/66/88/557206688.db2.gz MLTICEPMCSIFHM-UHFFFAOYSA-N 0 0 436.556 2.587 50 0 IFAARN C[C@@H]1CN([C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C[C@H](C)O1 ZINC000169616620 557208136 /nfs/dbraw/zinc/20/81/36/557208136.db2.gz XUFWPLOWDHKXCA-RBZYPMLTSA-N 0 0 446.139 2.953 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1csc2c1CCCC2 ZINC000025436509 557209625 /nfs/dbraw/zinc/20/96/25/557209625.db2.gz MQDZPACEJQIOMH-UHFFFAOYSA-N 0 0 426.585 2.639 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 ZINC000025456574 557210760 /nfs/dbraw/zinc/21/07/60/557210760.db2.gz MOQQUOLWRHYHQC-CVDCTZTESA-N 0 0 425.460 2.965 50 0 IFAARN COc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1OC ZINC000025461234 557211113 /nfs/dbraw/zinc/21/11/13/557211113.db2.gz VNYKHALUBMTFPA-GOSISDBHSA-N 0 0 429.904 2.811 50 0 IFAARN CCc1ccc(C(=O)N2CCN(C(=O)CCn3c4ccccc4n(CC)c3=O)CC2)cc1 ZINC000025468701 557211917 /nfs/dbraw/zinc/21/19/17/557211917.db2.gz OAPIGVRBFRJTKY-UHFFFAOYSA-N 0 0 434.540 2.760 50 0 IFAARN CCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000101035591 557215064 /nfs/dbraw/zinc/21/50/64/557215064.db2.gz UHXUEPMZYXJMGI-MRCUWXFGSA-N 0 0 449.554 2.731 50 0 IFAARN CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NCCc2ccccn2)c1 ZINC000025580168 557216020 /nfs/dbraw/zinc/21/60/20/557216020.db2.gz ZDJJAAOJWYMBDJ-UHFFFAOYSA-N 0 0 440.363 2.751 50 0 IFAARN COc1cc(CNC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc(OC)c1OC ZINC000025595240 557218026 /nfs/dbraw/zinc/21/80/26/557218026.db2.gz OQCWITQIZPBUMN-UHFFFAOYSA-N 0 0 434.411 2.740 50 0 IFAARN CN(CC(=O)Nc1ccccc1Br)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000018019602 557222213 /nfs/dbraw/zinc/22/22/13/557222213.db2.gz VHKBGFKELMRIJC-UHFFFAOYSA-N 0 0 425.304 2.563 50 0 IFAARN Cc1cc(C)cc(OCC(=O)O[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000010589366 557223417 /nfs/dbraw/zinc/22/34/17/557223417.db2.gz PNEULGLPZKRKSK-CYBMUJFWSA-N 0 0 438.402 2.786 50 0 IFAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCCC2)cc1OC ZINC000000804389 557224306 /nfs/dbraw/zinc/22/43/06/557224306.db2.gz IJNXUVHSHMCSJV-HXUWFJFHSA-N 0 0 444.553 2.832 50 0 IFAARN O=c1c2ccccc2ncn1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000025765267 557224786 /nfs/dbraw/zinc/22/47/86/557224786.db2.gz VJOPZYOQSRUMOB-UHFFFAOYSA-N 0 0 434.521 2.514 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Br)ccc2Cl)c1 ZINC000011481430 557229439 /nfs/dbraw/zinc/22/94/39/557229439.db2.gz ZYRJRCCKZKAZFV-UHFFFAOYSA-N 0 0 447.694 2.545 50 0 IFAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 ZINC000011612857 557230314 /nfs/dbraw/zinc/23/03/14/557230314.db2.gz LPNQXGABJIGUHI-QGZVFWFLSA-N 0 0 434.489 2.804 50 0 IFAARN COc1ccc(CC(=O)OCCCOC(=O)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000018032247 557230546 /nfs/dbraw/zinc/23/05/46/557230546.db2.gz YJBSEERDJFSTBS-UHFFFAOYSA-N 0 0 432.469 2.983 50 0 IFAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2cnn(C(C)C)c2n1 ZINC000025954468 557230986 /nfs/dbraw/zinc/23/09/86/557230986.db2.gz VAGXQMPUIVMGDG-UHFFFAOYSA-N 0 0 445.520 2.606 50 0 IFAARN O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000025984176 557231242 /nfs/dbraw/zinc/23/12/42/557231242.db2.gz RCICOUPVIWHSOA-MRXNPFEDSA-N 0 0 441.509 2.738 50 0 IFAARN CCOC(=O)C(NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2)C(=O)OCC ZINC000025991669 557231961 /nfs/dbraw/zinc/23/19/61/557231961.db2.gz GAYLCTLJWPCICO-UHFFFAOYSA-N 0 0 431.464 2.505 50 0 IFAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)c4cccs4)nn32)cc1OC ZINC000011693940 557232939 /nfs/dbraw/zinc/23/29/39/557232939.db2.gz CHFMNXXWSXRLEW-UHFFFAOYSA-N 0 0 425.470 2.679 50 0 IFAARN O=C(c1cc2ccccc2oc1=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O ZINC000011694061 557232947 /nfs/dbraw/zinc/23/29/47/557232947.db2.gz IWYZFCFXASADEO-UHFFFAOYSA-N 0 0 449.438 2.659 50 0 IFAARN COc1ccc2c(C)c(CCC(=O)OCc3cc(=O)n4ccsc4n3)c(=O)oc2c1 ZINC000026088349 557233732 /nfs/dbraw/zinc/23/37/32/557233732.db2.gz ZQVMPGRLMANCMF-UHFFFAOYSA-N 0 0 426.450 2.855 50 0 IFAARN C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O ZINC000026163565 557236751 /nfs/dbraw/zinc/23/67/51/557236751.db2.gz NWTPRWPZZSZLIS-NRFANRHFSA-N 0 0 430.844 2.893 50 0 IFAARN COCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000032950461 557236770 /nfs/dbraw/zinc/23/67/70/557236770.db2.gz NZEZAWRGTYBBBJ-UHFFFAOYSA-N 0 0 446.529 2.621 50 0 IFAARN O=C(NCCc1nnc2ccccn21)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000026304017 557239016 /nfs/dbraw/zinc/23/90/16/557239016.db2.gz MBLSIJHGGGQZDL-UHFFFAOYSA-N 0 0 428.448 2.704 50 0 IFAARN C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 ZINC000026308579 557239056 /nfs/dbraw/zinc/23/90/56/557239056.db2.gz CAHFSNLFECDYLX-KBXCAEBGSA-N 0 0 428.480 2.593 50 0 IFAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O ZINC000013988508 557239253 /nfs/dbraw/zinc/23/92/53/557239253.db2.gz CVTSRKZFPHPRQX-KRWDZBQOSA-N 0 0 441.296 2.560 50 0 IFAARN CCOc1cc2c(cc1CNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)O[C@@H](C)C2 ZINC000026357253 557239697 /nfs/dbraw/zinc/23/96/97/557239697.db2.gz KVGYLLZCZPUYPL-ZDUSSCGKSA-N 0 0 434.514 2.854 50 0 IFAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)N3CCN(c4ccccc4Cl)CC3)n2)cc1 ZINC000583649145 557240403 /nfs/dbraw/zinc/24/04/03/557240403.db2.gz HSTLKCVSBOOKJH-FQEVSTJZSA-N 0 0 441.919 2.636 50 0 IFAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000583649661 557240581 /nfs/dbraw/zinc/24/05/81/557240581.db2.gz SGROPZQWUQRGDP-FQEVSTJZSA-N 0 0 441.919 2.636 50 0 IFAARN COc1ccc([C@H](O)Cn2cnc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000583649662 557240659 /nfs/dbraw/zinc/24/06/59/557240659.db2.gz SGROPZQWUQRGDP-HXUWFJFHSA-N 0 0 441.919 2.636 50 0 IFAARN COc1cccc([C@]2(C)NC(=O)N(NC(=S)NCCSc3ccccc3)C2=O)c1 ZINC000018144179 557243259 /nfs/dbraw/zinc/24/32/59/557243259.db2.gz CWAQCGAYPOLEIX-FQEVSTJZSA-N 0 0 430.555 2.634 50 0 IFAARN NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)CC1 ZINC000026536683 557243789 /nfs/dbraw/zinc/24/37/89/557243789.db2.gz PSMVQNJISWMHJK-QFIPXVFZSA-N 0 0 448.523 2.729 50 0 IFAARN COc1ccccc1-n1c(=O)c2c[nH]nc2nc1SCC(=O)Nc1ccccc1F ZINC000018152971 557243874 /nfs/dbraw/zinc/24/38/74/557243874.db2.gz ZCDDCVMXLSJSTF-UHFFFAOYSA-N 0 0 425.445 2.987 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CN2CCC[C@H]2c2ccccc2)c1=O ZINC000026554237 557244540 /nfs/dbraw/zinc/24/45/40/557244540.db2.gz BXCQHMRWULCAAB-IBGZPJMESA-N 0 0 428.558 2.868 50 0 IFAARN COc1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H]2c2nnc3ccccn32)cc1 ZINC000026555989 557244828 /nfs/dbraw/zinc/24/48/28/557244828.db2.gz HNLFJCCDFALGMI-QGZVFWFLSA-N 0 0 435.513 2.774 50 0 IFAARN COc1cc(-c2c3c(N)c(C(N)=O)sc3nc3c2CN(C)CC3)cc(OC)c1OC ZINC000026600034 557245589 /nfs/dbraw/zinc/24/55/89/557245589.db2.gz HNRUAQCIUBFGCO-UHFFFAOYSA-N 0 0 428.514 2.658 50 0 IFAARN CCCCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1OC ZINC000026687304 557246484 /nfs/dbraw/zinc/24/64/84/557246484.db2.gz NJCMUJJXHAGTSB-RCCKNPSSSA-N 0 0 449.532 2.837 50 0 IFAARN COc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC ZINC000026686112 557246510 /nfs/dbraw/zinc/24/65/10/557246510.db2.gz FSCMNTXFWPGWJH-UHFFFAOYSA-N 0 0 442.921 2.981 50 0 IFAARN COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604418721 557250818 /nfs/dbraw/zinc/25/08/18/557250818.db2.gz PWMKSBZXEYPWHQ-CQSZACIVSA-N 0 0 435.402 2.940 50 0 IFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCc1nc(-c2ccccc2)no1 ZINC000604419015 557251231 /nfs/dbraw/zinc/25/12/31/557251231.db2.gz KAYLYBNYRZLKCL-REIDKSKDSA-N 0 0 432.480 2.895 50 0 IFAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000604419647 557251790 /nfs/dbraw/zinc/25/17/90/557251790.db2.gz OFFFOCNZAWTYHK-VPWGAPMNSA-N 0 0 445.519 2.955 50 0 IFAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000604419642 557251801 /nfs/dbraw/zinc/25/18/01/557251801.db2.gz OFFFOCNZAWTYHK-BPKZHXITSA-N 0 0 445.519 2.955 50 0 IFAARN Cc1cccc2c(=O)n(CCCC(=O)O[C@H](C)C(=O)NCc3ccc(F)cc3)cnc12 ZINC000026951792 557252149 /nfs/dbraw/zinc/25/21/49/557252149.db2.gz NUYBBOWEKSFWON-MRXNPFEDSA-N 0 0 425.460 2.872 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4cc3O)CC2)cc1 ZINC000026940096 557252207 /nfs/dbraw/zinc/25/22/07/557252207.db2.gz CLDCNXPLIBMIIS-UHFFFAOYSA-N 0 0 426.494 2.701 50 0 IFAARN O=C(Cn1c(=O)cnc2ccccc21)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000018215785 557252578 /nfs/dbraw/zinc/25/25/78/557252578.db2.gz DSOPUCNPQXXEIF-UHFFFAOYSA-N 0 0 425.798 2.692 50 0 IFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2)C1 ZINC000018223763 557252964 /nfs/dbraw/zinc/25/29/64/557252964.db2.gz GRWQKIOWEFHIFY-HOTGVXAUSA-N 0 0 435.571 2.717 50 0 IFAARN CN1c2ccccc2[C@](O)(CC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)C1=O ZINC000100283393 557256568 /nfs/dbraw/zinc/25/65/68/557256568.db2.gz OTFKXOZYJSBULY-FUMQJTLXSA-N 0 0 432.476 2.803 50 0 IFAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000027124113 557257184 /nfs/dbraw/zinc/25/71/84/557257184.db2.gz YIRHRTSLEGDRKK-UHFFFAOYSA-N 0 0 435.933 2.647 50 0 IFAARN Cc1nc(C)n([C@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000027194443 557258562 /nfs/dbraw/zinc/25/85/62/557258562.db2.gz BCDMEMDALKVFIB-MRXNPFEDSA-N 0 0 441.557 2.532 50 0 IFAARN COc1ccc(O[C@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)cc1 ZINC000027295319 557259724 /nfs/dbraw/zinc/25/97/24/557259724.db2.gz NXJXIXCAELTSQG-VQIMIIECSA-N 0 0 437.496 2.907 50 0 IFAARN Nc1c(N(Cc2nc(C3CC3)no2)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000027308961 557260088 /nfs/dbraw/zinc/26/00/88/557260088.db2.gz VWIIKTRALRTJIG-UHFFFAOYSA-N 0 0 444.495 2.634 50 0 IFAARN CCNC(=S)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000100578639 557265273 /nfs/dbraw/zinc/26/52/73/557265273.db2.gz CGLMCDUCNVKHEK-INIZCTEOSA-N 0 0 429.473 2.583 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000012973306 557265311 /nfs/dbraw/zinc/26/53/11/557265311.db2.gz AXHPTNKDERCFER-RMKNXTFCSA-N 0 0 441.597 2.829 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@@](C)(CC)[C@H]3C2=O)cc1 ZINC000101261815 557265422 /nfs/dbraw/zinc/26/54/22/557265422.db2.gz XWCNBSANBFCENW-IZDJOXEWSA-N 0 0 432.523 2.945 50 0 IFAARN NS(=O)(=O)c1ccc(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 ZINC000000824913 557270368 /nfs/dbraw/zinc/27/03/68/557270368.db2.gz UFXBPIGNDBMZFE-LBPRGKRZSA-N 0 0 428.750 2.934 50 0 IFAARN CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)N1CCCC1=O ZINC000032954648 557271287 /nfs/dbraw/zinc/27/12/87/557271287.db2.gz QCIVFTQDICKFKW-KRWDZBQOSA-N 0 0 434.558 2.528 50 0 IFAARN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 ZINC000032954709 557271593 /nfs/dbraw/zinc/27/15/93/557271593.db2.gz SUDOENBQJKDUGH-NSHDSACASA-N 0 0 437.345 2.652 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CCn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000027746922 557272856 /nfs/dbraw/zinc/27/28/56/557272856.db2.gz USIXFBYHEBQAHZ-UHFFFAOYSA-N 0 0 426.542 2.822 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000100914961 557278377 /nfs/dbraw/zinc/27/83/77/557278377.db2.gz YSXRGUIBWUOMJG-WBVHZDCISA-N 0 0 442.269 2.746 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccc(F)cc2F)ccc1C ZINC000023323111 557283833 /nfs/dbraw/zinc/28/38/33/557283833.db2.gz XIWDDKADVXKXCS-UHFFFAOYSA-N 0 0 439.484 2.672 50 0 IFAARN CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)C[C@H]1c1ccc(C)s1 ZINC000101456029 557286380 /nfs/dbraw/zinc/28/63/80/557286380.db2.gz GWTJHUMLYMSWAE-KRWDZBQOSA-N 0 0 438.509 2.916 50 0 IFAARN COc1ccc(CNC(=O)C(=O)N[C@H]2c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000101485121 557287965 /nfs/dbraw/zinc/28/79/65/557287965.db2.gz PZQBPVXHRHKMEU-QFIPXVFZSA-N 0 0 429.476 2.716 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 ZINC000101513806 557293441 /nfs/dbraw/zinc/29/34/41/557293441.db2.gz WFPYHBYBIXXFGM-WOJBJXKFSA-N 0 0 440.477 2.868 50 0 IFAARN CN(C)[C@H](CNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000101703659 557294266 /nfs/dbraw/zinc/29/42/66/557294266.db2.gz TVSMCRVHIJCDOC-HXUWFJFHSA-N 0 0 438.959 2.977 50 0 IFAARN O=C(C[C@H]1N[C@@H]2CCCC[C@H]2NC1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000101961982 557297356 /nfs/dbraw/zinc/29/73/56/557297356.db2.gz CXEOPBGOOGVGNI-WXFUMESZSA-N 0 0 446.595 2.710 50 0 IFAARN Cc1ccc(CNc2nn3c(nc(CN4CCN(c5ccccc5)CC4)cc3=O)[nH]2)cc1 ZINC000101795992 557298670 /nfs/dbraw/zinc/29/86/70/557298670.db2.gz NHLYPJVRBHCDBV-UHFFFAOYSA-N 0 0 429.528 2.660 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1ncn2nc(-c3ccc(C)c(C)c3)cc2c1=O ZINC000011666416 557299351 /nfs/dbraw/zinc/29/93/51/557299351.db2.gz NINHMVOYQKFMMA-UHFFFAOYSA-N 0 0 431.452 2.600 50 0 IFAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)ncn3n2)cc1C ZINC000011666422 557299661 /nfs/dbraw/zinc/29/96/61/557299661.db2.gz MGBCLUNZRYNCSO-UHFFFAOYSA-N 0 0 431.452 2.585 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(OC)ccc4OC)ncn3n2)cc1 ZINC000011666430 557299967 /nfs/dbraw/zinc/29/99/67/557299967.db2.gz RSBXMNZBMQWESB-UHFFFAOYSA-N 0 0 449.467 2.613 50 0 IFAARN Cc1nn(C[C@H](C)C(=O)Nn2c(=O)c3ccccc3[nH]c2=S)c(C)c1Br ZINC000102004242 557311936 /nfs/dbraw/zinc/31/19/36/557311936.db2.gz MWXPKEYOSCSCGP-VIFPVBQESA-N 0 0 436.335 2.667 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2c(Cl)nc3ccccn32)NC(=O)N[C@H]1c1ccco1 ZINC000032936184 557318838 /nfs/dbraw/zinc/31/88/38/557318838.db2.gz DAGGBMSUFPMMKL-HNNXBMFYSA-N 0 0 444.831 2.609 50 0 IFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)NCCc3ccc(C)cc3)s2)cc1 ZINC000032987378 557321905 /nfs/dbraw/zinc/32/19/05/557321905.db2.gz ALTKIIFTDADACJ-UHFFFAOYSA-N 0 0 440.525 2.983 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1OC ZINC000033037844 557322805 /nfs/dbraw/zinc/32/28/05/557322805.db2.gz ISNIBMSJFGHURC-UHFFFAOYSA-N 0 0 435.484 2.604 50 0 IFAARN COc1ccccc1CNC(=O)CCc1nc(CS(=O)(=O)c2ccc(C)cc2)no1 ZINC000033062854 557323303 /nfs/dbraw/zinc/32/33/03/557323303.db2.gz GGHYYNRNBBCGQE-UHFFFAOYSA-N 0 0 429.498 2.610 50 0 IFAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N ZINC000014241408 557328693 /nfs/dbraw/zinc/32/86/93/557328693.db2.gz RBYQXOFEOGCXKL-QGZVFWFLSA-N 0 0 429.933 2.721 50 0 IFAARN COc1cc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@H]2C)OCO4)cc(OC)c1O ZINC000105524109 557331776 /nfs/dbraw/zinc/33/17/76/557331776.db2.gz HMMFKXIBIIUASW-VKCVVMHYSA-N 0 0 429.469 2.957 50 0 IFAARN O=C(Nc1nccs1)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000222043615 557332837 /nfs/dbraw/zinc/33/28/37/557332837.db2.gz PGUJAMLMEJPJMF-KBMXLJTQSA-N 0 0 449.554 2.875 50 0 IFAARN O=C(Nc1nccs1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000222043505 557332921 /nfs/dbraw/zinc/33/29/21/557332921.db2.gz PGUJAMLMEJPJMF-BPUTZDHNSA-N 0 0 449.554 2.875 50 0 IFAARN CCOC(=O)c1nc2ccccc2nc1N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000023330380 557340846 /nfs/dbraw/zinc/34/08/46/557340846.db2.gz HIUYHUCTJSQXGG-UHFFFAOYSA-N 0 0 434.496 2.924 50 0 IFAARN CCn1nc(C)cc1C(=O)N1CCN(c2ncccc2C(=O)NCc2cccs2)CC1 ZINC000023332112 557344196 /nfs/dbraw/zinc/34/41/96/557344196.db2.gz LSEBPYCCFVOUHK-UHFFFAOYSA-N 0 0 438.557 2.560 50 0 IFAARN COc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C\N[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000102588006 557356450 /nfs/dbraw/zinc/35/64/50/557356450.db2.gz ZEOGUKMKGRHJSY-SWEABUAFSA-N 0 0 446.912 2.653 50 0 IFAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2snnc2C)CC1 ZINC000023440310 557357740 /nfs/dbraw/zinc/35/77/40/557357740.db2.gz KUBGHVHLHUQADM-UHFFFAOYSA-N 0 0 440.529 2.546 50 0 IFAARN COc1ccc(-c2cc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n3ncnc3n2)cc1 ZINC000023460312 557360253 /nfs/dbraw/zinc/36/02/53/557360253.db2.gz WRLPGHDGPWHLGL-UHFFFAOYSA-N 0 0 444.495 2.851 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000023685125 557371498 /nfs/dbraw/zinc/37/14/98/557371498.db2.gz VEPVWMPUJNXJST-RDTXWAMCSA-N 0 0 440.363 2.608 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000023685112 557371503 /nfs/dbraw/zinc/37/15/03/557371503.db2.gz VEPVWMPUJNXJST-KSSFIOAISA-N 0 0 440.363 2.608 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1S(C)(=O)=O ZINC000023689454 557371528 /nfs/dbraw/zinc/37/15/28/557371528.db2.gz BEMRQWYMYKYSOO-UHFFFAOYSA-N 0 0 425.304 2.530 50 0 IFAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(CC)CCC(=O)OC)c2)cc1 ZINC000078698399 557372281 /nfs/dbraw/zinc/37/22/81/557372281.db2.gz HXTVAORYYDWXPU-UHFFFAOYSA-N 0 0 434.514 2.911 50 0 IFAARN O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(Cc2cccs2)CC1 ZINC000023737190 557372639 /nfs/dbraw/zinc/37/26/39/557372639.db2.gz PGDNAOZSHUULBH-UHFFFAOYSA-N 0 0 445.566 2.778 50 0 IFAARN Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1CC(F)(F)F ZINC000102777567 557382364 /nfs/dbraw/zinc/38/23/64/557382364.db2.gz FANJOBLIHUQNIK-RRFJBIMHSA-N 0 0 440.418 2.733 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000011692415 557388813 /nfs/dbraw/zinc/38/88/13/557388813.db2.gz FNZXLVQUCLWGRK-UHFFFAOYSA-N 0 0 437.887 2.818 50 0 IFAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1OC ZINC000011694047 557391906 /nfs/dbraw/zinc/39/19/06/557391906.db2.gz UDBCQKOTPMWGGI-UHFFFAOYSA-N 0 0 441.459 2.570 50 0 IFAARN O=S(=O)(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(F)c(Cl)c1 ZINC000011694543 557392673 /nfs/dbraw/zinc/39/26/73/557392673.db2.gz BFVGAUAQZBPJSQ-UHFFFAOYSA-N 0 0 447.879 2.941 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000024048306 557394159 /nfs/dbraw/zinc/39/41/59/557394159.db2.gz FPAZOAPZRHDKEQ-CQSZACIVSA-N 0 0 440.468 2.700 50 0 IFAARN O=C(Cn1ncc2c(c1=O)CCCC2)NCCn1ccc2ccc(Br)cc21 ZINC000072400853 557394195 /nfs/dbraw/zinc/39/41/95/557394195.db2.gz NFJVNAADASFSPK-UHFFFAOYSA-N 0 0 429.318 2.656 50 0 IFAARN COc1ccc(N(CC(=O)NCCc2ccccc2)S(=O)(=O)c2cccnc2)cc1 ZINC000011696080 557394287 /nfs/dbraw/zinc/39/42/87/557394287.db2.gz GWLIWQNYSUPSIL-UHFFFAOYSA-N 0 0 425.510 2.644 50 0 IFAARN COC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000011696198 557394372 /nfs/dbraw/zinc/39/43/72/557394372.db2.gz USVRSDFONNVJCS-GXTWGEPZSA-N 0 0 448.570 2.593 50 0 IFAARN COc1ccc(-c2cc(C(=O)NC3CC3)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1 ZINC000011696173 557394373 /nfs/dbraw/zinc/39/43/73/557394373.db2.gz DDEGOQSBFXOGKT-MRXNPFEDSA-N 0 0 440.525 2.667 50 0 IFAARN COc1cc(S(=O)(=O)NCCNc2ccc(Nc3ccccn3)nn2)c(C)cc1C ZINC000011697442 557394786 /nfs/dbraw/zinc/39/47/86/557394786.db2.gz MSBHNYXZOGORAT-UHFFFAOYSA-N 0 0 428.518 2.631 50 0 IFAARN Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(F)cc1F ZINC000013955884 557397725 /nfs/dbraw/zinc/39/77/25/557397725.db2.gz WTBKUBVOWOTQQA-UHFFFAOYSA-N 0 0 449.458 2.936 50 0 IFAARN Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1c(F)cccc1F ZINC000013956683 557398783 /nfs/dbraw/zinc/39/87/83/557398783.db2.gz XKPXAOKLENIKRO-UHFFFAOYSA-N 0 0 435.431 2.893 50 0 IFAARN COc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)cc(=O)oc2c1 ZINC000033452061 557399222 /nfs/dbraw/zinc/39/92/22/557399222.db2.gz GGKMILVMVLGTAP-UHFFFAOYSA-N 0 0 442.537 2.925 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCCCCNC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000033456298 557399248 /nfs/dbraw/zinc/39/92/48/557399248.db2.gz XOJDPDUKYKQGLY-VTBWALSUSA-N 0 0 436.464 2.883 50 0 IFAARN CCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000060999174 557401533 /nfs/dbraw/zinc/40/15/33/557401533.db2.gz NLPMHIVIYRKUEX-IBGZPJMESA-N 0 0 446.910 2.824 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000033487597 557401759 /nfs/dbraw/zinc/40/17/59/557401759.db2.gz BAXNPHCJDDZYGS-QHCPKHFHSA-N 0 0 441.597 2.883 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000033527652 557404367 /nfs/dbraw/zinc/40/43/67/557404367.db2.gz MNUBQOOLSPNZGB-IUZFBFHQSA-N 0 0 439.581 2.799 50 0 IFAARN CC(C)C[C@H](C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N1C(=O)c2ccccc2C1=O ZINC000135658892 557410005 /nfs/dbraw/zinc/41/00/05/557410005.db2.gz HPTBZTZXWZMVHL-CSODHUTKSA-N 0 0 433.508 2.505 50 0 IFAARN Cc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC(c4ncc[nH]4)CC3)cc2)o1 ZINC000408521400 557413539 /nfs/dbraw/zinc/41/35/39/557413539.db2.gz SGROKDKFHXHCKO-UHFFFAOYSA-N 0 0 429.502 2.835 50 0 IFAARN O=C(CN(Cc1ccccc1)C(=O)Cn1nnc2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000033612374 557422460 /nfs/dbraw/zinc/42/24/60/557422460.db2.gz WZKRISLESUINMZ-UHFFFAOYSA-N 0 0 443.463 2.828 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 ZINC000103319560 557433743 /nfs/dbraw/zinc/43/37/43/557433743.db2.gz KCKFTXMFDLVSBW-CBGDNZLLSA-N 0 0 444.557 2.605 50 0 IFAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)N3CCN(C)CC3)=CSC2=N1 ZINC000103297000 557433778 /nfs/dbraw/zinc/43/37/78/557433778.db2.gz VGOBPUPRQQPPBR-OAQYLSRUSA-N 0 0 440.569 2.989 50 0 IFAARN Cc1nc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(Cl)cc1Cl ZINC000103333755 557434033 /nfs/dbraw/zinc/43/40/33/557434033.db2.gz QUEFMKBLBYENJA-QJPTWQEYSA-N 0 0 442.299 2.742 50 0 IFAARN Cc1nc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c(Cl)cc1Cl ZINC000103333753 557434051 /nfs/dbraw/zinc/43/40/51/557434051.db2.gz QUEFMKBLBYENJA-SDDRHHMPSA-N 0 0 442.299 2.742 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCC(C)CC4)C3)cc2C[C@H]1C ZINC000103712571 557440607 /nfs/dbraw/zinc/44/06/07/557440607.db2.gz KLFUZVYRCOFPAB-IEBWSBKVSA-N 0 0 447.601 2.643 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[C@H]1C ZINC000103966934 557443506 /nfs/dbraw/zinc/44/35/06/557443506.db2.gz BTAPIGPJDGLGEM-GJYPPUQNSA-N 0 0 427.998 2.587 50 0 IFAARN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000104098044 557450145 /nfs/dbraw/zinc/45/01/45/557450145.db2.gz XMMLNGJTNAUWCH-ZQDZILKHSA-N 0 0 430.954 2.728 50 0 IFAARN Cc1cc([C@@H]2C[C@H](C(=O)NN3CCOCC3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000096281565 557451176 /nfs/dbraw/zinc/45/11/76/557451176.db2.gz YYXFZSMJDCVHNL-RTWAWAEBSA-N 0 0 425.504 2.743 50 0 IFAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(CN2CCOCC2)cc1 ZINC000024572541 557459537 /nfs/dbraw/zinc/45/95/37/557459537.db2.gz SNVGSJUJHJHYCI-UHFFFAOYSA-N 0 0 442.604 2.572 50 0 IFAARN CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000024574588 557459547 /nfs/dbraw/zinc/45/95/47/557459547.db2.gz JWUDIHVFZJRIKT-UHFFFAOYSA-N 0 0 441.597 2.530 50 0 IFAARN COC(=O)c1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)cc1 ZINC000051316698 557464717 /nfs/dbraw/zinc/46/47/17/557464717.db2.gz BXMJPXWXGOYLOQ-UHFFFAOYSA-N 0 0 435.465 2.626 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000104938642 557466174 /nfs/dbraw/zinc/46/61/74/557466174.db2.gz YDBZETRABPAECM-WIYYLYMNSA-N 0 0 443.544 2.783 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C)CC1 ZINC000051318030 557469491 /nfs/dbraw/zinc/46/94/91/557469491.db2.gz ZYMYPDYLXQYDDJ-UHFFFAOYSA-N 0 0 436.310 2.689 50 0 IFAARN COC(=O)C1C(CN2CCN(c3ccc(F)cc3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318396 557469853 /nfs/dbraw/zinc/46/98/53/557469853.db2.gz YIDCPKPRIKJPKS-QFIPXVFZSA-N 0 0 438.503 2.737 50 0 IFAARN COC(=O)C1C(CN2CCN(c3ccccc3F)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318392 557469916 /nfs/dbraw/zinc/46/99/16/557469916.db2.gz USRGQTMHQFPJDN-QFIPXVFZSA-N 0 0 438.503 2.737 50 0 IFAARN C[C@@H](OC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)C(=O)NC1CCCCCC1 ZINC000105126334 557476025 /nfs/dbraw/zinc/47/60/25/557476025.db2.gz GCVOYEFPLIJPDS-CKNGIIGNSA-N 0 0 435.565 2.894 50 0 IFAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000062885321 557492280 /nfs/dbraw/zinc/49/22/80/557492280.db2.gz NJMYVOVTUHOBAE-AWEZNQCLSA-N 0 0 432.318 2.797 50 0 IFAARN Cc1sc2ncn(CC(=O)NCC(=O)Nc3ccccc3Br)c(=O)c2c1C ZINC000018353584 557497443 /nfs/dbraw/zinc/49/74/43/557497443.db2.gz QAEWPXWDTDVKCE-UHFFFAOYSA-N 0 0 449.330 2.592 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C)C[C@H]3c3ccccc3)C2)s1 ZINC000105667670 557509720 /nfs/dbraw/zinc/50/97/20/557509720.db2.gz XDVVXMGOSHQEGQ-UXHICEINSA-N 0 0 447.626 2.973 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc3ccccc3)C1)O[C@@H](C)C(=O)N2 ZINC000105845793 557511695 /nfs/dbraw/zinc/51/16/95/557511695.db2.gz ALXATKYVVOZKMK-JKSUJKDBSA-N 0 0 443.525 2.754 50 0 IFAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@H]4C2=O)no1 ZINC000106022117 557512461 /nfs/dbraw/zinc/51/24/61/557512461.db2.gz DIWBIBLNZXIFIW-HSSOGYSNSA-N 0 0 434.279 2.893 50 0 IFAARN O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000046873279 557512980 /nfs/dbraw/zinc/51/29/80/557512980.db2.gz YMDYVQHNELSSGJ-UHFFFAOYSA-N 0 0 437.466 2.790 50 0 IFAARN CCn1c(COC(=O)c2cccc(Cl)c2N)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000018404941 557515064 /nfs/dbraw/zinc/51/50/64/557515064.db2.gz CUINAVFMTTUHOY-UHFFFAOYSA-N 0 0 436.921 2.899 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1=O ZINC000018415569 557519776 /nfs/dbraw/zinc/51/97/76/557519776.db2.gz ZLRNPXZNEKXRPI-JOCHJYFZSA-N 0 0 442.903 2.594 50 0 IFAARN CC(C)Oc1ccccc1NC(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012030623 557524026 /nfs/dbraw/zinc/52/40/26/557524026.db2.gz HCYRFKIYXFKNMS-KRWDZBQOSA-N 0 0 437.539 2.687 50 0 IFAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031356 557524467 /nfs/dbraw/zinc/52/44/67/557524467.db2.gz MKPVHGGRRVTCKQ-LBPRGKRZSA-N 0 0 449.884 2.831 50 0 IFAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012029728 557524918 /nfs/dbraw/zinc/52/49/18/557524918.db2.gz ICPANZQJNLVBOC-AWEZNQCLSA-N 0 0 431.894 2.692 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)cn2C)CC1 ZINC000012069856 557526200 /nfs/dbraw/zinc/52/62/00/557526200.db2.gz CKYRUBDSGDCBKU-UHFFFAOYSA-N 0 0 433.508 2.935 50 0 IFAARN COc1ccc(CCC(=O)NCCn2ncc3c2ncn(Cc2ccc(F)cc2)c3=O)cc1 ZINC000012071792 557526790 /nfs/dbraw/zinc/52/67/90/557526790.db2.gz JYZKCBUINRMWKZ-UHFFFAOYSA-N 0 0 449.486 2.538 50 0 IFAARN CCOc1ccc(CC(=O)NCCn2ncc3c2ncn(Cc2ccccc2C)c3=O)cc1 ZINC000012072165 557526839 /nfs/dbraw/zinc/52/68/39/557526839.db2.gz JIQMJRIGPFSHJV-UHFFFAOYSA-N 0 0 445.523 2.707 50 0 IFAARN O=C1C[C@@H](N2CCC(n3nnc(-c4cccs4)n3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000025174444 557528828 /nfs/dbraw/zinc/52/88/28/557528828.db2.gz OOZLTEIVRDKUQV-MRXNPFEDSA-N 0 0 426.477 2.510 50 0 IFAARN CCOC(=O)C1C(CN2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000106615528 557530754 /nfs/dbraw/zinc/53/07/54/557530754.db2.gz JCUVHQHLUVKOBM-WIYYLYMNSA-N 0 0 443.544 2.695 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@@](C)(CC)[C@@H]3C2=O)cc1 ZINC000106758211 557532186 /nfs/dbraw/zinc/53/21/86/557532186.db2.gz XWCNBSANBFCENW-RDXCRGQUSA-N 0 0 432.523 2.945 50 0 IFAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@](O)(Cc2ccccc2)c2ccccc2)C1 ZINC000107064029 557534334 /nfs/dbraw/zinc/53/43/34/557534334.db2.gz HHVPGPGIUXPQEO-ZJSXRUAMSA-N 0 0 444.597 2.685 50 0 IFAARN CCN(CC)C(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000044915235 557540689 /nfs/dbraw/zinc/54/06/89/557540689.db2.gz JAZFEDMNWSEBPD-HXUWFJFHSA-N 0 0 445.541 2.724 50 0 IFAARN NC(=O)C1CCN(C(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2-n2cccc2)CC1 ZINC000044920743 557540915 /nfs/dbraw/zinc/54/09/15/557540915.db2.gz JQIWXLRCXJDTOB-UHFFFAOYSA-N 0 0 447.417 2.899 50 0 IFAARN CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OC)cc1 ZINC000044974256 557542257 /nfs/dbraw/zinc/54/22/57/557542257.db2.gz PXXWJSUXPLRWAM-SFHVURJKSA-N 0 0 447.491 2.624 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccco4)nn32)c1 ZINC000045938960 557548215 /nfs/dbraw/zinc/54/82/15/557548215.db2.gz JQHWKLLWDRCWKP-UHFFFAOYSA-N 0 0 439.453 2.585 50 0 IFAARN COc1cccc(CNC(=O)CSc2n[nH]c(=O)c3cc(-c4cccs4)nn32)c1 ZINC000045938860 557548216 /nfs/dbraw/zinc/54/82/16/557548216.db2.gz FEYANZBINYJBNN-UHFFFAOYSA-N 0 0 427.511 2.563 50 0 IFAARN COc1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4cccs4)nn32)cc1OC ZINC000045925876 557550385 /nfs/dbraw/zinc/55/03/85/557550385.db2.gz DDUYKEMPNJPZSH-UHFFFAOYSA-N 0 0 443.510 2.894 50 0 IFAARN Cc1[nH]c(C(=O)N2CCC(CC(=O)NC[C@H]3CCCO3)CC2)c(C)c1C(=O)OC(C)C ZINC000045974026 557556085 /nfs/dbraw/zinc/55/60/85/557556085.db2.gz KBDHFELUXMIXMJ-GOSISDBHSA-N 0 0 433.549 2.734 50 0 IFAARN O=C(Cn1cnc2nc(N3CCCC3)sc2c1=O)Nc1ccc(Br)cc1 ZINC000045970559 557558085 /nfs/dbraw/zinc/55/80/85/557558085.db2.gz DSHGVDPWFPALTR-UHFFFAOYSA-N 0 0 434.319 2.854 50 0 IFAARN Cc1nc(C)c(CCC(=O)OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(=O)[nH]1 ZINC000040013470 557678467 /nfs/dbraw/zinc/67/84/67/557678467.db2.gz DLYRDOIBFZCSJH-UHFFFAOYSA-N 0 0 448.454 2.901 50 0 IFAARN O=C(CN1CCN(CCCS(=O)(=O)c2ccccc2)CC1)Nc1ccccc1Cl ZINC000040152882 557704565 /nfs/dbraw/zinc/70/45/65/557704565.db2.gz CACYOIHCTKXLCN-UHFFFAOYSA-N 0 0 435.977 2.760 50 0 IFAARN CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H](C[S@@](C)=O)c1ccccc1)c1cnn(C)c1 ZINC000225330004 557711638 /nfs/dbraw/zinc/71/16/38/557711638.db2.gz FCAVROKCEVKNSG-FGRKSUEESA-N 0 0 434.562 2.564 50 0 IFAARN COCCn1cc([C@@H]2[C@@H](C(=O)Nc3cnc(C4CC4)nc3)CC(=O)N2C(C)(C)C)cn1 ZINC000225455575 557724839 /nfs/dbraw/zinc/72/48/39/557724839.db2.gz GOHXDNLGRBIDMB-PKOBYXMFSA-N 0 0 426.521 2.524 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)NC2(CCC3(CC2)OCCO3)C1=O)c1ccc2ccccc2c1 ZINC000225486007 557728457 /nfs/dbraw/zinc/72/84/57/557728457.db2.gz RYGPIHLKNPFMML-INIZCTEOSA-N 0 0 437.496 2.625 50 0 IFAARN CN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000225505101 557731527 /nfs/dbraw/zinc/73/15/27/557731527.db2.gz BCXUQAXXBJWNGF-NSHDSACASA-N 0 0 443.285 2.871 50 0 IFAARN O=S1(=O)CC[C@@H](c2noc(C3(c4ccc(Br)cc4)CCOCC3)n2)C1 ZINC000225551229 557740868 /nfs/dbraw/zinc/74/08/68/557740868.db2.gz JCAPFOCIAUZUBO-GFCCVEGCSA-N 0 0 427.320 2.831 50 0 IFAARN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H](CO)c1cccc(Cl)c1F ZINC000225610565 557751349 /nfs/dbraw/zinc/75/13/49/557751349.db2.gz PXRQFZGFLDGYIV-OAHLLOKOSA-N 0 0 435.304 2.651 50 0 IFAARN COc1cc(CCO)ccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000225656212 557757709 /nfs/dbraw/zinc/75/77/09/557757709.db2.gz BECVYDURLCLTBM-UHFFFAOYSA-N 0 0 435.406 2.880 50 0 IFAARN CCc1nc2ccccc2c(N2CCN(S(=O)(=O)c3ccsc3C(=O)OC)CC2)n1 ZINC000096292788 557767403 /nfs/dbraw/zinc/76/74/03/557767403.db2.gz SQZKRPZXRWINDN-UHFFFAOYSA-N 0 0 446.554 2.551 50 0 IFAARN Cc1ccc(C2=NO[C@@H](CNC(=O)c3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)C2)cc1 ZINC000225744100 557772020 /nfs/dbraw/zinc/77/20/20/557772020.db2.gz HUDDPHCGUJMMKR-RBUKOAKNSA-N 0 0 447.491 2.693 50 0 IFAARN O=C(Cc1sc(N2CCOCC2)nc1-c1ccccc1)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000225806583 557779331 /nfs/dbraw/zinc/77/93/31/557779331.db2.gz XTUFEMKUGKHOSB-UHFFFAOYSA-N 0 0 449.536 2.675 50 0 IFAARN Cn1c2ccc(CNS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)cc2nc1C1CC1 ZINC000225830902 557782429 /nfs/dbraw/zinc/78/24/29/557782429.db2.gz LPKXIJOZDBLERQ-UHFFFAOYSA-N 0 0 428.489 2.953 50 0 IFAARN CCC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000000842664 557796105 /nfs/dbraw/zinc/79/61/05/557796105.db2.gz VEYCKQZMUKJGTH-IBGZPJMESA-N 0 0 440.496 2.826 50 0 IFAARN COc1cc(Br)c(CC(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cc1OC ZINC000018522226 557828846 /nfs/dbraw/zinc/82/88/46/557828846.db2.gz TWFWXFAUXOJOEX-JTQLQIEISA-N 0 0 427.251 2.876 50 0 IFAARN Cn1ncc2c1ncnc2SCC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000025000629 557830987 /nfs/dbraw/zinc/83/09/87/557830987.db2.gz PRGDCWAFRBIZGU-UHFFFAOYSA-N 0 0 432.553 2.953 50 0 IFAARN C[C@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)N1CCN(c2ccccc2)CC1 ZINC000229666995 557832771 /nfs/dbraw/zinc/83/27/71/557832771.db2.gz RQNDTFPYQVUUIS-MSYCTHLASA-N 0 0 433.618 2.512 50 0 IFAARN C[C@@H]1C[C@]2(C[C@](C)(C(=O)CSc3n[nH]c(-c4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000229978999 557834454 /nfs/dbraw/zinc/83/44/54/557834454.db2.gz FTZRUURQZZDBSC-APTHUUICSA-N 0 0 435.889 2.814 50 0 IFAARN O=C(NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1)Nc1cccc(F)c1 ZINC000439100700 557840133 /nfs/dbraw/zinc/84/01/33/557840133.db2.gz OYBXJQSVVSFHKG-CQSZACIVSA-N 0 0 438.463 2.701 50 0 IFAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12 ZINC000239347143 557844323 /nfs/dbraw/zinc/84/43/23/557844323.db2.gz MEQUQAJVQWRJRK-VWEIPLKFSA-N 0 0 447.443 2.619 50 0 IFAARN COCCC(=O)Nc1cc(I)cc(I)c1 ZINC000239882345 557845350 /nfs/dbraw/zinc/84/53/50/557845350.db2.gz DBGZFHZBQOBWPH-UHFFFAOYSA-N 0 0 431.011 2.871 50 0 IFAARN CC(C)Cc1ncn(CC(=O)N(C)C2CCCCC2)c(=O)c1I ZINC000241277658 557846232 /nfs/dbraw/zinc/84/62/32/557846232.db2.gz LHZMILXRGZESRA-UHFFFAOYSA-N 0 0 431.318 2.838 50 0 IFAARN O=C(Nc1ccc(-c2cccc(F)c2)c(F)c1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000241383133 557846383 /nfs/dbraw/zinc/84/63/83/557846383.db2.gz MSTOHNZXJUQISD-UHFFFAOYSA-N 0 0 447.467 2.893 50 0 IFAARN CNS(=O)(=O)CCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1Cl ZINC000242339258 557847697 /nfs/dbraw/zinc/84/76/97/557847697.db2.gz ZGHDRHMYPWPQDD-KRWDZBQOSA-N 0 0 431.986 2.873 50 0 IFAARN C[C@@H](OC(=O)c1ccc(F)cc1N)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000018750444 557855795 /nfs/dbraw/zinc/85/57/95/557855795.db2.gz FBSGEFOXHKMQPN-SECBINFHSA-N 0 0 425.338 2.957 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nncn1C1CC1 ZINC000025060411 557862207 /nfs/dbraw/zinc/86/22/07/557862207.db2.gz GWVLQJZJJZDDMO-UHFFFAOYSA-N 0 0 447.561 2.978 50 0 IFAARN Cn1c2nc(SCc3ccccn3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000001080523 560180354 /nfs/dbraw/zinc/18/03/54/560180354.db2.gz CPJZOLJMYKSBPF-UHFFFAOYSA-N 0 0 445.907 2.962 50 0 biogenic,in-vitro IFAARN Cn1c2nc3n(cc(C45CC6CC(CC(C6)C4)C5)n3Cc3ccccn3)c2c(=O)n(C)c1=O ZINC000008662367 560210666 /nfs/dbraw/zinc/21/06/66/560210666.db2.gz RFURXZCEEFOOKK-UHFFFAOYSA-N 0 0 444.539 2.598 50 0 biogenic,in-vitro IFAARN O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000000980810 562919881 /nfs/dbraw/zinc/91/98/81/562919881.db2.gz VFNPGGZQYMOODS-UHFFFAOYSA-N 0 0 438.347 2.561 50 0 IFAARN CCOC(=O)c1oc2cc(OCC(N)=O)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 ZINC000001132747 562920677 /nfs/dbraw/zinc/92/06/77/562920677.db2.gz CTJBWZADKOUDOA-UHFFFAOYSA-N 0 0 427.409 2.518 50 0 IFAARN Cc1ccc(OCCN2CCN(C(=O)CCC(=O)Nc3nnc(C(C)C)s3)CC2)cc1 ZINC000001278822 562921078 /nfs/dbraw/zinc/92/10/78/562921078.db2.gz CHSGYPQNQFHYNY-UHFFFAOYSA-N 0 0 445.589 2.912 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 ZINC000001363356 562921374 /nfs/dbraw/zinc/92/13/74/562921374.db2.gz RDWYDDJRSNTVCH-OAHLLOKOSA-N 0 0 432.498 2.506 50 0 IFAARN Cc1cccc(C)c1OC[C@@H](O)CNS(=O)(=O)c1ccccc1C(=O)N1CCCCC1 ZINC000002204322 562926344 /nfs/dbraw/zinc/92/63/44/562926344.db2.gz VDRAXOJTWGVSPU-IBGZPJMESA-N 0 0 446.569 2.648 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002225517 562926415 /nfs/dbraw/zinc/92/64/15/562926415.db2.gz UJHXXLFVTXHFBH-RDJZCZTQSA-N 0 0 430.888 2.857 50 0 IFAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(C(=O)OC)cc3)N2C1=O ZINC000002247692 562926621 /nfs/dbraw/zinc/92/66/21/562926621.db2.gz GJVSZPHCDCMKTK-WBVHZDCISA-N 0 0 432.498 2.702 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000002384487 562927334 /nfs/dbraw/zinc/92/73/34/562927334.db2.gz COEJPLOFJHFKOC-INIZCTEOSA-N 0 0 447.532 2.678 50 0 IFAARN CC[C@@H](C)NC(=O)c1oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1C ZINC000002459765 562927997 /nfs/dbraw/zinc/92/79/97/562927997.db2.gz DDVFIDDURAVDJZ-CQSZACIVSA-N 0 0 436.530 2.797 50 0 IFAARN O=C1N[C@@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1c1ccccc1 ZINC000002492469 562928185 /nfs/dbraw/zinc/92/81/85/562928185.db2.gz IHZVONMKXZMFKW-HNNXBMFYSA-N 0 0 433.795 2.838 50 0 IFAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N ZINC000002522915 562928352 /nfs/dbraw/zinc/92/83/52/562928352.db2.gz HZHWTHQVDLDEPF-UHFFFAOYSA-N 0 0 429.502 2.724 50 0 IFAARN CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)NC3=NCCS3)c2)CC1 ZINC000002626261 562928627 /nfs/dbraw/zinc/92/86/27/562928627.db2.gz UBJJJWQSZYGHAV-UHFFFAOYSA-N 0 0 446.392 2.702 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000002627365 562928745 /nfs/dbraw/zinc/92/87/45/562928745.db2.gz NPTYLJSWPLOIEZ-KRWDZBQOSA-N 0 0 433.555 2.776 50 0 IFAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)NCc1ccco1 ZINC000002643172 562929046 /nfs/dbraw/zinc/92/90/46/562929046.db2.gz KWVPOWFJYGCUFB-UHFFFAOYSA-N 0 0 440.905 2.581 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1C ZINC000002662593 562929723 /nfs/dbraw/zinc/92/97/23/562929723.db2.gz IHWWOQQCDWZFAK-UHFFFAOYSA-N 0 0 443.452 2.968 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)[C@H](C)Oc2ccccc2)CS(=O)(=O)C3)cc1 ZINC000003009437 562931578 /nfs/dbraw/zinc/93/15/78/562931578.db2.gz ZGRFVVJFGSJELB-AWEZNQCLSA-N 0 0 427.482 2.715 50 0 IFAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2F)cc1 ZINC000003031403 562931906 /nfs/dbraw/zinc/93/19/06/562931906.db2.gz ZPPMUHBUDAWUSI-UHFFFAOYSA-N 0 0 434.489 2.914 50 0 IFAARN COc1cc(C(=O)NCCC(=O)NCc2c(F)cc(F)cc2F)cc(OC)c1OC ZINC000003041157 562932134 /nfs/dbraw/zinc/93/21/34/562932134.db2.gz YMZKQCVXIZDXPM-UHFFFAOYSA-N 0 0 426.391 2.566 50 0 IFAARN O=C(Cc1c(Cl)cccc1Cl)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000003217116 562932889 /nfs/dbraw/zinc/93/28/89/562932889.db2.gz DBPKYLQESQLWKV-UHFFFAOYSA-N 0 0 425.268 2.657 50 0 IFAARN O=C(Cc1ccc(Cl)cc1Cl)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000003219606 562932985 /nfs/dbraw/zinc/93/29/85/562932985.db2.gz PBEHCJAJPAEXEE-UHFFFAOYSA-N 0 0 425.268 2.657 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C ZINC000003253649 562933427 /nfs/dbraw/zinc/93/34/27/562933427.db2.gz OSELJWQZVGMSAN-YBHKSSGVSA-N 0 0 449.463 2.797 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1Br ZINC000003299413 562933917 /nfs/dbraw/zinc/93/39/17/562933917.db2.gz JBKYKUBGIIPHML-UHFFFAOYSA-N 0 0 445.360 2.713 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)onc3-c3ccccc3)CC2)cc1 ZINC000003337333 562934386 /nfs/dbraw/zinc/93/43/86/562934386.db2.gz RBGRSUNJQXYHIQ-UHFFFAOYSA-N 0 0 441.509 2.805 50 0 IFAARN Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c3ccccc3n2)o1 ZINC000003362566 562934828 /nfs/dbraw/zinc/93/48/28/562934828.db2.gz FPTQQAUGYOFOLF-OAHLLOKOSA-N 0 0 442.493 2.606 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1 ZINC000003411207 562935331 /nfs/dbraw/zinc/93/53/31/562935331.db2.gz DLOAQYTUCXVVAC-FQEVSTJZSA-N 0 0 442.541 2.711 50 0 aggregator IFAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000003421086 562935587 /nfs/dbraw/zinc/93/55/87/562935587.db2.gz QPRWREIEEVVVOX-UHFFFAOYSA-N 0 0 430.468 2.726 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000003430639 562935792 /nfs/dbraw/zinc/93/57/92/562935792.db2.gz XBQXGLSPEDIIRE-UHFFFAOYSA-N 0 0 428.466 2.862 50 0 IFAARN O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000004034407 562940862 /nfs/dbraw/zinc/94/08/62/562940862.db2.gz XWBUNWXAJLTLBK-UHFFFAOYSA-N 0 0 449.515 2.791 50 0 IFAARN COc1ccc(N(C(=O)c2cccc(OC)c2OC)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000004101753 562941914 /nfs/dbraw/zinc/94/19/14/562941914.db2.gz ACYCKOAVPTZTAZ-CQSZACIVSA-N 0 0 433.482 2.679 50 0 IFAARN O=C(NCc1ccco1)[C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000004102112 562941935 /nfs/dbraw/zinc/94/19/35/562941935.db2.gz RPLVDMDVQKJNKG-KRWDZBQOSA-N 0 0 428.495 2.620 50 0 IFAARN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000004111046 562942069 /nfs/dbraw/zinc/94/20/69/562942069.db2.gz OENMLNWKWWEYIZ-CQSZACIVSA-N 0 0 430.486 2.579 50 0 IFAARN C[C@@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(Cc3ccccc3)c(=O)c2S1 ZINC000004142632 562942224 /nfs/dbraw/zinc/94/22/24/562942224.db2.gz XVDYAKZWFRVEBQ-GDBMZVCRSA-N 0 0 431.583 2.716 50 0 IFAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCN1C(=O)c2ccccc2C1=O ZINC000006467677 562946798 /nfs/dbraw/zinc/94/67/98/562946798.db2.gz AFDYPIPHTVUMJL-UHFFFAOYSA-N 0 0 444.538 2.830 50 0 IFAARN O=c1[nH]c(=O)n(Cc2ccco2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccco1)N2 ZINC000006499048 562946924 /nfs/dbraw/zinc/94/69/24/562946924.db2.gz ZLMFUIKHFUEXJC-UHFFFAOYSA-N 0 0 448.279 2.963 50 0 IFAARN C[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl ZINC000006530724 562947100 /nfs/dbraw/zinc/94/71/00/562947100.db2.gz CYJYOLWIHVNJIC-ZDUSSCGKSA-N 0 0 433.915 2.649 50 0 IFAARN C[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl ZINC000006530723 562947103 /nfs/dbraw/zinc/94/71/03/562947103.db2.gz CYJYOLWIHVNJIC-CYBMUJFWSA-N 0 0 433.915 2.649 50 0 IFAARN C[C@@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 ZINC000006531078 562947168 /nfs/dbraw/zinc/94/71/68/562947168.db2.gz YGWLDMTVPHQFIX-CYBMUJFWSA-N 0 0 433.915 2.506 50 0 IFAARN C[C@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C1 ZINC000006531074 562947190 /nfs/dbraw/zinc/94/71/90/562947190.db2.gz JBFWJJPWKGSFID-GJZGRUSLSA-N 0 0 429.952 2.613 50 0 IFAARN Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)N1CCc2ccccc21 ZINC000006578145 562948051 /nfs/dbraw/zinc/94/80/51/562948051.db2.gz ZRFOJDLEAADXLA-UHFFFAOYSA-N 0 0 437.550 2.921 50 0 aggregator IFAARN Cc1c(O[C@@H](C)C(=O)NCCCN2CCCC2=O)ccc2c3c(c(=O)oc12)CCCC3 ZINC000006658883 562948150 /nfs/dbraw/zinc/94/81/50/562948150.db2.gz POPVKXDJWZUBJI-INIZCTEOSA-N 0 0 426.513 2.876 50 0 IFAARN O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1ccccc1Br ZINC000008588154 562950602 /nfs/dbraw/zinc/95/06/02/562950602.db2.gz VHUGKYNTCHCKIS-UHFFFAOYSA-N 0 0 431.337 2.728 50 0 IFAARN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc32)cc1 ZINC000008587992 562950528 /nfs/dbraw/zinc/95/05/28/562950528.db2.gz PEWPOSZMTGDTFJ-QFIPXVFZSA-N 0 0 444.491 2.727 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)COc2ccc(OC)cc2)s1 ZINC000008587923 562950532 /nfs/dbraw/zinc/95/05/32/562950532.db2.gz IWAQIFUSCRSYRI-UHFFFAOYSA-N 0 0 448.526 2.779 50 0 IFAARN COc1ccc(CCNC(=O)CCCn2c(=O)c3cccn3c3cccnc32)cc1OC ZINC000008588972 562950943 /nfs/dbraw/zinc/95/09/43/562950943.db2.gz ODYKGDZZCJNLIY-UHFFFAOYSA-N 0 0 434.496 2.806 50 0 IFAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1CC(=O)N1CCCC1)n2C ZINC000008591554 562952079 /nfs/dbraw/zinc/95/20/79/562952079.db2.gz UUGAYVSXXNWOGJ-UHFFFAOYSA-N 0 0 430.508 2.883 50 0 IFAARN COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3OC)c2=O)cc1 ZINC000008593412 562952687 /nfs/dbraw/zinc/95/26/87/562952687.db2.gz AEDLOGOMKMLTNG-UHFFFAOYSA-N 0 0 431.448 2.808 50 0 IFAARN Cc1noc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(Cl)c3C)c2=O)n1 ZINC000008593620 562952762 /nfs/dbraw/zinc/95/27/62/562952762.db2.gz BIDIMZGCBDVOEF-UHFFFAOYSA-N 0 0 439.859 2.503 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3cccc(C)c3C)ccc21 ZINC000008596119 562953687 /nfs/dbraw/zinc/95/36/87/562953687.db2.gz CNPMMHZAQGMUDM-UHFFFAOYSA-N 0 0 429.542 2.910 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(CC)cc3)ccc21 ZINC000008596123 562953713 /nfs/dbraw/zinc/95/37/13/562953713.db2.gz VKPLRGWWBUMMNK-UHFFFAOYSA-N 0 0 429.542 2.855 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(C)cc3C)ccc21 ZINC000008596131 562953798 /nfs/dbraw/zinc/95/37/98/562953798.db2.gz LLAPSTOHXAOGAU-UHFFFAOYSA-N 0 0 429.542 2.910 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCc1ccccc1)cn2C ZINC000008597170 562953885 /nfs/dbraw/zinc/95/38/85/562953885.db2.gz UEMZPIFMHOOEPF-UHFFFAOYSA-N 0 0 441.553 2.542 50 0 IFAARN COc1cccc(NC(=O)c2nnn(Cc3ccc(OC)c(Br)c3)c2N)c1 ZINC000008597967 562954087 /nfs/dbraw/zinc/95/40/87/562954087.db2.gz RJGZUIUSXWGZLK-UHFFFAOYSA-N 0 0 432.278 2.941 50 0 IFAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc2c(c1)OCCO2 ZINC000008598861 562954423 /nfs/dbraw/zinc/95/44/23/562954423.db2.gz XAXLWFBCWOMDRI-LNVKXUELSA-N 0 0 427.482 2.820 50 0 IFAARN CCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000008598856 562954434 /nfs/dbraw/zinc/95/44/34/562954434.db2.gz SSHGLKZRMGXAEL-UHFFFAOYSA-N 0 0 431.514 2.667 50 0 IFAARN CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1 ZINC000008598997 562954585 /nfs/dbraw/zinc/95/45/85/562954585.db2.gz VTTKTTMRMZDZQC-UHFFFAOYSA-N 0 0 425.514 2.967 50 0 IFAARN Cc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000008601400 562955284 /nfs/dbraw/zinc/95/52/84/562955284.db2.gz COORFHNBXZUYMW-HXUWFJFHSA-N 0 0 444.484 2.675 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000008602724 562955866 /nfs/dbraw/zinc/95/58/66/562955866.db2.gz YHCZHEZDLWPMRF-MRXNPFEDSA-N 0 0 448.545 2.551 50 0 IFAARN O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cccs1 ZINC000008627052 562960057 /nfs/dbraw/zinc/96/00/57/562960057.db2.gz VXISMRXAPRWJRY-MRXNPFEDSA-N 0 0 434.564 2.757 50 0 IFAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O ZINC000008634760 562960083 /nfs/dbraw/zinc/96/00/83/562960083.db2.gz WTOHZUGCYVUDBQ-QGZVFWFLSA-N 0 0 437.681 2.903 50 0 IFAARN Cc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c1 ZINC000008654524 562960239 /nfs/dbraw/zinc/96/02/39/562960239.db2.gz VFAVGCSBXBJOQD-UHFFFAOYSA-N 0 0 443.525 2.788 50 0 IFAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)cc1 ZINC000008673246 562961156 /nfs/dbraw/zinc/96/11/56/562961156.db2.gz LQYPSRHVTFYRDR-UHFFFAOYSA-N 0 0 428.510 2.723 50 0 IFAARN Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NC3CCCC3)c2=O)c1 ZINC000008680362 562961514 /nfs/dbraw/zinc/96/15/14/562961514.db2.gz PMGPQNUQTBPABR-UHFFFAOYSA-N 0 0 448.523 2.559 50 0 aggregator IFAARN CCOc1ccccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000008691186 562963381 /nfs/dbraw/zinc/96/33/81/562963381.db2.gz BDXWZQDDAWXFHA-SCTDSRPQSA-N 0 0 442.512 2.933 50 0 IFAARN CCC[C@H](C)NC(=O)Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O ZINC000008826067 562964466 /nfs/dbraw/zinc/96/44/66/562964466.db2.gz SVUJLOGOSIZVQI-SFHVURJKSA-N 0 0 439.560 2.759 50 0 IFAARN COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000008831097 562964953 /nfs/dbraw/zinc/96/49/53/562964953.db2.gz CPDLWGSXKJDIDH-UHFFFAOYSA-N 0 0 428.510 2.641 50 0 IFAARN C[C@@]1(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)CCS(=O)(=O)C1 ZINC000008862530 562965498 /nfs/dbraw/zinc/96/54/98/562965498.db2.gz AQFDSRQBWQQCAF-HXUWFJFHSA-N 0 0 445.570 2.547 50 0 IFAARN COc1ccc(CCNC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1OC ZINC000008877888 562965651 /nfs/dbraw/zinc/96/56/51/562965651.db2.gz GINXNJAUPLDVAU-UHFFFAOYSA-N 0 0 429.469 2.891 50 0 IFAARN O=C(Nc1nnc(SCCC2OCCO2)s1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008908532 562965918 /nfs/dbraw/zinc/96/59/18/562965918.db2.gz OYEJNLGOVODWBN-NSHDSACASA-N 0 0 438.506 2.524 50 0 IFAARN CCCn1nc(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c2ccccc2c1=O ZINC000009130860 562967665 /nfs/dbraw/zinc/96/76/65/562967665.db2.gz KUZONVHECZHKEA-UHFFFAOYSA-N 0 0 445.483 2.983 50 0 IFAARN COc1cc(CN(C(=O)c2cccs2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000009195108 562968124 /nfs/dbraw/zinc/96/81/24/562968124.db2.gz DFKZIACOASAKCB-AWEZNQCLSA-N 0 0 425.528 2.603 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000009211685 562968227 /nfs/dbraw/zinc/96/82/27/562968227.db2.gz REKNAIVQVVOZRI-UHFFFAOYSA-N 0 0 433.443 2.993 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)cc1 ZINC000009263748 562968585 /nfs/dbraw/zinc/96/85/85/562968585.db2.gz NQECPDKAQSYCHA-PBHICJAKSA-N 0 0 431.562 2.792 50 0 IFAARN Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)o1 ZINC000009273806 562968772 /nfs/dbraw/zinc/96/87/72/562968772.db2.gz PICIDSBJNRYOBS-AWEZNQCLSA-N 0 0 430.526 2.756 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)ccc1C ZINC000009283152 562968834 /nfs/dbraw/zinc/96/88/34/562968834.db2.gz GTDVORMDEDMSEB-UHFFFAOYSA-N 0 0 447.344 2.528 50 0 IFAARN C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C ZINC000009302537 562969128 /nfs/dbraw/zinc/96/91/28/562969128.db2.gz FZHQYMTYSZDTBX-LLVKDONJSA-N 0 0 443.558 2.766 50 0 IFAARN CCCCC[C@H](C)NC(=S)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000009373391 562969688 /nfs/dbraw/zinc/96/96/88/562969688.db2.gz YYFPOZSPRNNRKJ-INIZCTEOSA-N 0 0 441.619 2.589 50 0 IFAARN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000009391628 562969835 /nfs/dbraw/zinc/96/98/35/562969835.db2.gz HQENWIUWTDWAGA-CVEARBPZSA-N 0 0 429.542 2.641 50 0 IFAARN COc1cccc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c2cccc(C)c2)c1 ZINC000009408196 562970260 /nfs/dbraw/zinc/97/02/60/562970260.db2.gz CSVSJVBJCLUMOY-RTBURBONSA-N 0 0 445.566 2.717 50 0 IFAARN COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000009430849 562970716 /nfs/dbraw/zinc/97/07/16/562970716.db2.gz DDSWDXKQMLCQDF-MRXNPFEDSA-N 0 0 441.509 2.576 50 0 IFAARN COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)c1 ZINC000009439033 562971095 /nfs/dbraw/zinc/97/10/95/562971095.db2.gz IWJVIOXOTJOTQN-UHFFFAOYSA-N 0 0 441.509 2.576 50 0 IFAARN CSCC[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCC1 ZINC000009448307 562971283 /nfs/dbraw/zinc/97/12/83/562971283.db2.gz BQOVBGBYOWXBEH-XGHQBKJUSA-N 0 0 433.599 2.553 50 0 IFAARN CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 ZINC000009448129 562971292 /nfs/dbraw/zinc/97/12/92/562971292.db2.gz RWHQZHUKGXGWCR-LPHOPBHVSA-N 0 0 443.544 2.748 50 0 IFAARN COc1ccccc1CCNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000009518855 562972809 /nfs/dbraw/zinc/97/28/09/562972809.db2.gz WRURVBDMDGHCSJ-UHFFFAOYSA-N 0 0 433.508 2.814 50 0 IFAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000009632267 562974465 /nfs/dbraw/zinc/97/44/65/562974465.db2.gz PGWUCBBTVCNQLA-UHFFFAOYSA-N 0 0 431.510 2.672 50 0 IFAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 ZINC000009660382 562974821 /nfs/dbraw/zinc/97/48/21/562974821.db2.gz VLQWUJBXPFAUME-QGZVFWFLSA-N 0 0 448.527 2.825 50 0 IFAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C(C)C)c1 ZINC000009662348 562974832 /nfs/dbraw/zinc/97/48/32/562974832.db2.gz NXIGUCUEKWUOQX-QFIPXVFZSA-N 0 0 441.528 2.934 50 0 IFAARN COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000009669392 562975090 /nfs/dbraw/zinc/97/50/90/562975090.db2.gz OXUKLILHWSVQPD-UHFFFAOYSA-N 0 0 428.510 2.653 50 0 IFAARN O=C(CNc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000009670955 562975142 /nfs/dbraw/zinc/97/51/42/562975142.db2.gz KJZWYISCVDDIGM-UHFFFAOYSA-N 0 0 443.447 2.777 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C(C)=O)cc3)ccc21 ZINC000009677229 562975420 /nfs/dbraw/zinc/97/54/20/562975420.db2.gz WEYCQDZBTSOQOH-UHFFFAOYSA-N 0 0 428.510 2.991 50 0 IFAARN CCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1=O ZINC000009725501 562976096 /nfs/dbraw/zinc/97/60/96/562976096.db2.gz OJILLOYRFBDUDR-HOTGVXAUSA-N 0 0 433.574 2.735 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc3c(c2)OCO3)c(C)c1 ZINC000009806443 562977027 /nfs/dbraw/zinc/97/70/27/562977027.db2.gz DZDBJHSXIZPJFY-SFHVURJKSA-N 0 0 430.526 2.924 50 0 IFAARN CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 ZINC000009867378 562977653 /nfs/dbraw/zinc/97/76/53/562977653.db2.gz QXJWVNOYHBIIGV-KOSHJBKYSA-N 0 0 437.496 2.533 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000009892516 562977682 /nfs/dbraw/zinc/97/76/82/562977682.db2.gz GQHXQCRPIKDASM-JXFKEZNVSA-N 0 0 442.512 2.959 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000009892517 562977685 /nfs/dbraw/zinc/97/76/85/562977685.db2.gz GQHXQCRPIKDASM-UZLBHIALSA-N 0 0 442.512 2.959 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)cc1 ZINC000010186732 562978538 /nfs/dbraw/zinc/97/85/38/562978538.db2.gz ZRGKXAHWLJGZAL-UHFFFAOYSA-N 0 0 449.536 2.865 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(O)c1 ZINC000012853731 562983243 /nfs/dbraw/zinc/98/32/43/562983243.db2.gz NAQRKLCMZPUFKG-UHFFFAOYSA-N 0 0 432.498 2.511 50 0 IFAARN CNC(=O)CN(c1cc(OCCOC)c(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000012950094 562983570 /nfs/dbraw/zinc/98/35/70/562983570.db2.gz ZEMYPZYLYFMSHV-UHFFFAOYSA-N 0 0 447.340 2.960 50 0 IFAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000012999955 562983859 /nfs/dbraw/zinc/98/38/59/562983859.db2.gz XHAUSIZVEZVUNW-UHFFFAOYSA-N 0 0 438.267 2.549 50 0 IFAARN CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccco1 ZINC000013011286 562984094 /nfs/dbraw/zinc/98/40/94/562984094.db2.gz QEHUFKSOFSGAJV-HXUWFJFHSA-N 0 0 427.526 2.791 50 0 IFAARN COC(CNC(=O)C[C@@H]1C(=O)N(Cc2ccccc2)[C@@H](C)c2nc3ccccc3n21)OC ZINC000013118708 562984564 /nfs/dbraw/zinc/98/45/64/562984564.db2.gz HFPLPEXBLXLDHB-OXJNMPFZSA-N 0 0 436.512 2.806 50 0 IFAARN CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000013130875 562984931 /nfs/dbraw/zinc/98/49/31/562984931.db2.gz ORJDSGHJPLMMAS-CQSZACIVSA-N 0 0 428.367 2.698 50 0 IFAARN NS(=O)(=O)c1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1 ZINC000015936545 563018865 /nfs/dbraw/zinc/01/88/65/563018865.db2.gz MGLJBPQZUWVOLL-UHFFFAOYSA-N 0 0 446.554 2.800 50 0 IFAARN C[C@H]1c2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc3c2N(CCC3)C1=O ZINC000015941380 563019399 /nfs/dbraw/zinc/01/93/99/563019399.db2.gz YXAQJXPKTAZXIH-HNNXBMFYSA-N 0 0 429.517 2.733 50 0 IFAARN Cn1cnc(S(=O)(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000015942563 563019683 /nfs/dbraw/zinc/01/96/83/563019683.db2.gz PLSXVDZXDWQQEQ-UHFFFAOYSA-N 0 0 432.496 2.794 50 0 IFAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCCc3ccccc3)c(C)o2)cc1 ZINC000015944282 563020266 /nfs/dbraw/zinc/02/02/66/563020266.db2.gz UIWCIUJGMRIVMS-UHFFFAOYSA-N 0 0 428.510 2.932 50 0 IFAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000016063414 563020883 /nfs/dbraw/zinc/02/08/83/563020883.db2.gz FDWITEWQEXIPMY-UHFFFAOYSA-N 0 0 436.946 2.938 50 0 IFAARN CCOc1ccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1OCC ZINC000028420574 563054728 /nfs/dbraw/zinc/05/47/28/563054728.db2.gz DGGUBFFSESVDDX-INIZCTEOSA-N 0 0 443.500 2.523 50 0 IFAARN O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000034888211 563088442 /nfs/dbraw/zinc/08/84/42/563088442.db2.gz GMUNILHLTBEHKF-XAJRUKRBSA-N 0 0 449.532 2.888 50 0 IFAARN CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(OC)cc1OC)CCO2 ZINC000055052723 563142323 /nfs/dbraw/zinc/14/23/23/563142323.db2.gz SWSISSHEQPNNTE-QFIPXVFZSA-N 0 0 439.556 2.809 50 0 IFAARN COc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)Nc3ccccc3)co2)CC1 ZINC000056949801 563143021 /nfs/dbraw/zinc/14/30/21/563143021.db2.gz MWEFGIPKESJPKD-UHFFFAOYSA-N 0 0 449.507 2.988 50 0 IFAARN Cc1ccc(C2(c3noc(CN4CCN([C@@H]5CCS(=O)(=O)C5)CC4)n3)CCCC2)cc1 ZINC000023373680 568613912 /nfs/dbraw/zinc/61/39/12/568613912.db2.gz QTTGJBFGYYZGFT-HXUWFJFHSA-N 0 0 444.601 2.543 50 0 IFAARN CCn1c2ccccc2n(CC(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)c1=O ZINC000012054383 568625240 /nfs/dbraw/zinc/62/52/40/568625240.db2.gz UFXUINIGFWFEAW-UHFFFAOYSA-N 0 0 439.497 2.814 50 0 IFAARN Nc1nonc1C(=O)NCC[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000247659269 568631906 /nfs/dbraw/zinc/63/19/06/568631906.db2.gz RGLHOODSWBYCAV-UHFFFAOYSA-N 0 0 442.882 2.967 50 0 IFAARN Cn1c(CN2CCC(C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2)nc2ccccc21 ZINC000247721613 568632058 /nfs/dbraw/zinc/63/20/58/568632058.db2.gz BBHUWXJLXOIGNR-UHFFFAOYSA-N 0 0 445.567 2.770 50 0 IFAARN CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000015073271 568635656 /nfs/dbraw/zinc/63/56/56/568635656.db2.gz FZJGVPFSYNXQTA-IBGZPJMESA-N 0 0 444.963 2.920 50 0 IFAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)c(OC)c2)c(OC)c1 ZINC000000909853 568636458 /nfs/dbraw/zinc/63/64/58/568636458.db2.gz FHMBWJSBPNTWNK-LJQANCHMSA-N 0 0 429.498 2.850 50 0 IFAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000025106472 568636601 /nfs/dbraw/zinc/63/66/01/568636601.db2.gz GITRDNKLEITCFL-QGZVFWFLSA-N 0 0 432.542 2.858 50 0 IFAARN COc1ccccc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(C)cc1 ZINC000000912563 568636780 /nfs/dbraw/zinc/63/67/80/568636780.db2.gz NOQRJQBUORKUKK-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)NCc1cccc(Cl)c1 ZINC000019077322 568637319 /nfs/dbraw/zinc/63/73/19/568637319.db2.gz PFNMSCVPZJBAOF-MRXNPFEDSA-N 0 0 438.962 2.964 50 0 IFAARN Cc1ccc(C)c(N2N=C(C(=O)OCC(=O)Nc3cccc4nsnc43)CCC2=O)c1 ZINC000019077697 568638482 /nfs/dbraw/zinc/63/84/82/568638482.db2.gz RMEYPZUNKXBGNV-UHFFFAOYSA-N 0 0 437.481 2.973 50 0 IFAARN O=c1c(Cl)c(N2CCN(C[C@H]3CCCO3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000015115646 568644835 /nfs/dbraw/zinc/64/48/35/568644835.db2.gz KGRAXBBYAKANIB-CQSZACIVSA-N 0 0 443.857 2.601 50 0 IFAARN COc1ccccc1NC(=O)c1sc2ncn(CC(=O)N3CCCC3)c(=O)c2c1C ZINC000000957775 568646066 /nfs/dbraw/zinc/64/60/66/568646066.db2.gz GDZXOBSTZCQXAK-UHFFFAOYSA-N 0 0 426.498 2.650 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000000958832 568646271 /nfs/dbraw/zinc/64/62/71/568646271.db2.gz XFFKPTNETOYKDG-GFCCVEGCSA-N 0 0 426.498 2.793 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(OC)c3)C2)cc1 ZINC000000953231 568647067 /nfs/dbraw/zinc/64/70/67/568647067.db2.gz HXVUDQULBWXRKD-HNNXBMFYSA-N 0 0 447.513 2.913 50 0 IFAARN CCc1c(-c2ccccc2)n(C[C@@H](O)c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000000974286 568647834 /nfs/dbraw/zinc/64/78/34/568647834.db2.gz VHCWXFVSNVGSEN-LJQANCHMSA-N 0 0 443.507 2.649 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@]2(c2ccc(C)cc2)NN1 ZINC000001014094 568652051 /nfs/dbraw/zinc/65/20/51/568652051.db2.gz XAZAPOIETXHKIA-HTAPYJJXSA-N 0 0 425.872 2.864 50 0 IFAARN COc1ccc(C(=O)N2CCN(CCC(=O)NCc3ccccc3Cl)CC2)cc1OC ZINC000025338663 568653909 /nfs/dbraw/zinc/65/39/09/568653909.db2.gz NZKRFOCDTOEXJO-UHFFFAOYSA-N 0 0 445.947 2.822 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1cccs1 ZINC000001090790 568658450 /nfs/dbraw/zinc/65/84/50/568658450.db2.gz PIDTVBMVDNBPOI-QMJOVRGKSA-N 0 0 426.519 2.565 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000025614359 568739760 /nfs/dbraw/zinc/73/97/60/568739760.db2.gz SNDDOGKVZKUGSE-NRFANRHFSA-N 0 0 426.542 2.551 50 0 IFAARN CC(C)(C)c1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n(-c2ccccc2)n1 ZINC000031681739 568741624 /nfs/dbraw/zinc/74/16/24/568741624.db2.gz HQGSHMZUNKQHOP-UHFFFAOYSA-N 0 0 438.509 2.953 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000001220295 568741808 /nfs/dbraw/zinc/74/18/08/568741808.db2.gz XGTPEQXASUFGBB-SQWSFHKJSA-N 0 0 438.505 2.708 50 0 IFAARN CN(Cc1ccsc1)C(=O)COC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000019131168 568742726 /nfs/dbraw/zinc/74/27/26/568742726.db2.gz OJBBTPYKVUGLET-UHFFFAOYSA-N 0 0 430.507 2.612 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCCCC1 ZINC000003237592 568743377 /nfs/dbraw/zinc/74/33/77/568743377.db2.gz PZXXJLZAAQXYQF-UHFFFAOYSA-N 0 0 428.510 2.607 50 0 IFAARN O=C(CN1CCOCC1)Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000012541718 568744115 /nfs/dbraw/zinc/74/41/15/568744115.db2.gz HAGWWWOCLMSYDS-UHFFFAOYSA-N 0 0 443.447 2.777 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1N ZINC000003406333 568748742 /nfs/dbraw/zinc/74/87/42/568748742.db2.gz NPMYGJLZTOMUDP-UHFFFAOYSA-N 0 0 427.486 2.575 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncn(Cc2nc(-c4ccccc4C)no2)c3=O)cc1 ZINC000044166614 568749206 /nfs/dbraw/zinc/74/92/06/568749206.db2.gz UZTVHVSCYQLKJU-UHFFFAOYSA-N 0 0 429.440 2.783 50 0 IFAARN COc1cc(OC)cc(C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000334158006 568750906 /nfs/dbraw/zinc/75/09/06/568750906.db2.gz HRZYHCIBDCVRAD-QGZVFWFLSA-N 0 0 441.509 2.601 50 0 IFAARN COc1ccc(-c2cc(=NC(=O)c3cc(C)oc3C)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158294 568750937 /nfs/dbraw/zinc/75/09/37/568750937.db2.gz DYRDREQEDUHWGH-INIZCTEOSA-N 0 0 429.498 2.802 50 0 IFAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(OC(C)=O)cc3)N2C1=O ZINC000003636779 568752257 /nfs/dbraw/zinc/75/22/57/568752257.db2.gz NQOHBBOMKJQTJR-AEFFLSMTSA-N 0 0 432.498 2.840 50 0 IFAARN Nc1nc(COC(=O)CCn2c(=O)oc3cc(Cl)ccc32)nc(Nc2ccccc2)n1 ZINC000019162079 568753937 /nfs/dbraw/zinc/75/39/37/568753937.db2.gz VIBLFTWSQZDYBY-UHFFFAOYSA-N 0 0 440.847 2.892 50 0 IFAARN Cc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000015314939 568754986 /nfs/dbraw/zinc/75/49/86/568754986.db2.gz HDEVLVMCXAZMQQ-UHFFFAOYSA-N 0 0 430.526 2.522 50 0 IFAARN O=C(Cn1c(=O)oc2ccccc21)N1CCC2(C[C@H]2C(=O)NCc2cccs2)CC1 ZINC000299769450 568756673 /nfs/dbraw/zinc/75/66/73/568756673.db2.gz NHXWGGSOEXIBAI-INIZCTEOSA-N 0 0 425.510 2.601 50 0 IFAARN COCCCN1C(=O)C[C@@](CC(=O)N[C@@H](C)c2nccs2)(c2ccccc2C)C1=O ZINC000299794408 568757704 /nfs/dbraw/zinc/75/77/04/568757704.db2.gz KQRAMXMFCYDLTQ-AOMKIAJQSA-N 0 0 429.542 2.752 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CC(=O)Nc3cc(C)ccc3C)ccc21 ZINC000015325874 568758356 /nfs/dbraw/zinc/75/83/56/568758356.db2.gz IYPRGYZDZVZOEJ-UHFFFAOYSA-N 0 0 429.542 2.862 50 0 IFAARN O=C(CNc1ccccc1N1CCCC1=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000015361519 568760259 /nfs/dbraw/zinc/76/02/59/568760259.db2.gz KVGIRHYIIGWGFL-SFHVURJKSA-N 0 0 433.574 2.574 50 0 IFAARN COC(=O)c1cn(Cc2nc(COc3ccc4ccccc4c3)no2)cc2c(=O)[nH]nc1-2 ZINC000263587176 568760440 /nfs/dbraw/zinc/76/04/40/568760440.db2.gz CZQOKUDFNYTESC-UHFFFAOYSA-N 0 0 431.408 2.626 50 0 IFAARN Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccccc3OCCN3CCOCC3)C2)n1 ZINC000263587879 568760824 /nfs/dbraw/zinc/76/08/24/568760824.db2.gz MHCZQXFSLYEGAE-HXUWFJFHSA-N 0 0 439.560 2.660 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000015391513 568761709 /nfs/dbraw/zinc/76/17/09/568761709.db2.gz NSCBUZIOOXQHKP-UHFFFAOYSA-N 0 0 442.515 2.641 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000015391564 568761759 /nfs/dbraw/zinc/76/17/59/568761759.db2.gz YQBOOBMFHHBWEY-QGZVFWFLSA-N 0 0 449.960 2.906 50 0 IFAARN COC(=O)c1sccc1NC(=O)CN(C)CC(=O)Nc1ccccc1Br ZINC000025679085 568775201 /nfs/dbraw/zinc/77/52/01/568775201.db2.gz XFURDBXNRYPCAD-UHFFFAOYSA-N 0 0 440.319 2.806 50 0 IFAARN Cn1c2nc(OCc3cccnc3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000001260686 568775419 /nfs/dbraw/zinc/77/54/19/568775419.db2.gz MWDWUWZXSHZUTM-UHFFFAOYSA-N 0 0 446.294 2.763 50 0 IFAARN COc1cccc(Cn2c(NCc3ccccc3Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000001275039 568775812 /nfs/dbraw/zinc/77/58/12/568775812.db2.gz ZEANSBNCMTZKPG-UHFFFAOYSA-N 0 0 439.903 2.756 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O ZINC000263618429 568777612 /nfs/dbraw/zinc/77/76/12/568777612.db2.gz SYAHEHSIQQNHMM-QGZVFWFLSA-N 0 0 448.498 2.932 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCc4nn(Cc5ccccc5)c(=O)cc4C3)[nH]n2)cc1 ZINC000263618112 568778032 /nfs/dbraw/zinc/77/80/32/568778032.db2.gz RHFPTWRNZYYLBT-UHFFFAOYSA-N 0 0 441.491 2.889 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(F)ccc3-n3cccc3)CC2)cc1 ZINC000032104350 568781056 /nfs/dbraw/zinc/78/10/56/568781056.db2.gz CWPGARBQXNYRNE-UHFFFAOYSA-N 0 0 443.500 2.772 50 0 IFAARN CCOc1ccc(OCC)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c1 ZINC000025808028 568782157 /nfs/dbraw/zinc/78/21/57/568782157.db2.gz YICWEQAQCALBFD-QHCPKHFHSA-N 0 0 441.484 2.898 50 0 IFAARN CCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1cc(Br)ccc1OC(F)F ZINC000004148392 568782186 /nfs/dbraw/zinc/78/21/86/568782186.db2.gz NIHNMBYKQMMPLV-LBPRGKRZSA-N 0 0 430.209 2.889 50 0 IFAARN NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(I)c2)cc1 ZINC000019173923 568782807 /nfs/dbraw/zinc/78/28/07/568782807.db2.gz DIWFFKDEBCVBBX-UHFFFAOYSA-N 0 0 430.267 2.510 50 0 IFAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019172559 568782833 /nfs/dbraw/zinc/78/28/33/568782833.db2.gz YDAZWDQJHIXODA-QRVBRYPASA-N 0 0 442.313 2.993 50 0 IFAARN CN(CCCC(=O)N(C[C@@H](O)c1ccccc1)C1CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000083859407 568783768 /nfs/dbraw/zinc/78/37/68/568783768.db2.gz VSTVBAKGFQKNPV-OAQYLSRUSA-N 0 0 434.533 2.951 50 0 IFAARN COc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)c(OC)c1 ZINC000015470148 568784437 /nfs/dbraw/zinc/78/44/37/568784437.db2.gz SZZUVMDPQDIVEI-HXUWFJFHSA-N 0 0 437.496 2.686 50 0 IFAARN COc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1OC ZINC000015470114 568784489 /nfs/dbraw/zinc/78/44/89/568784489.db2.gz DCFRMWMLSMFAJU-LJQANCHMSA-N 0 0 437.496 2.686 50 0 IFAARN COc1ccc(OC)c(CN2CCN(c3nc4ccccc4nc3N3CCOCC3)CC2)c1 ZINC000083925569 568785924 /nfs/dbraw/zinc/78/59/24/568785924.db2.gz TUXXFWCEBDGGIZ-UHFFFAOYSA-N 0 0 449.555 2.806 50 0 IFAARN Cc1ccccc1CN1CCN(C(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000015479983 568787138 /nfs/dbraw/zinc/78/71/38/568787138.db2.gz FUSYPKKLHBJMFJ-UHFFFAOYSA-N 0 0 448.489 2.627 50 0 IFAARN Cc1oc(C)c(C(=O)O[C@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)c1Br ZINC000084008222 568789769 /nfs/dbraw/zinc/78/97/69/568789769.db2.gz FCRJTNWWCKGJAU-WFASDCNBSA-N 0 0 429.311 2.564 50 0 IFAARN Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@@H](C(N)=O)c3cccc(Br)c3)C2=O)c1 ZINC000084083711 568791865 /nfs/dbraw/zinc/79/18/65/568791865.db2.gz GNTGEOFEWKOEMP-QZTJIDSGSA-N 0 0 444.329 2.762 50 0 IFAARN Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@H](C(N)=O)c3cccc(Br)c3)C2=O)c1 ZINC000084083707 568791961 /nfs/dbraw/zinc/79/19/61/568791961.db2.gz GNTGEOFEWKOEMP-MSOLQXFVSA-N 0 0 444.329 2.762 50 0 IFAARN CCOC(=O)c1ccc(NC(=S)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000001427822 568794193 /nfs/dbraw/zinc/79/41/93/568794193.db2.gz XYLWXRCAZOXORE-UHFFFAOYSA-N 0 0 438.553 2.989 50 0 IFAARN O=C(COc1cccc(F)c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015506423 568795081 /nfs/dbraw/zinc/79/50/81/568795081.db2.gz DKWYOCPHNKUWLW-UHFFFAOYSA-N 0 0 428.869 2.518 50 0 IFAARN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)C2)cc1 ZINC000084155156 568795216 /nfs/dbraw/zinc/79/52/16/568795216.db2.gz UQNFOLXNWUIOPG-RBUKOAKNSA-N 0 0 438.528 2.997 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(OC(F)(F)F)cc1 ZINC000015511687 568796324 /nfs/dbraw/zinc/79/63/24/568796324.db2.gz DKRHJPWCSWKDQH-UHFFFAOYSA-N 0 0 446.403 2.664 50 0 IFAARN Cn1ccnc1C[C@@H](NC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1 ZINC000084331592 568797131 /nfs/dbraw/zinc/79/71/31/568797131.db2.gz IBPYUSMTJVRHOF-LEWJYISDSA-N 0 0 434.496 2.627 50 0 IFAARN O=C(NC1(c2ccc(Br)cc2)CC1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000084398226 568797663 /nfs/dbraw/zinc/79/76/63/568797663.db2.gz PCLRVZMKPXWFOL-UHFFFAOYSA-N 0 0 428.286 2.920 50 0 IFAARN NC(=O)c1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)n[nH]1 ZINC000084560017 568798821 /nfs/dbraw/zinc/79/88/21/568798821.db2.gz CVMNBZSMYQYJSO-UHFFFAOYSA-N 0 0 427.424 2.814 50 0 IFAARN C[C@H](CCN1CCN(C(=O)c2cccs2)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000084637247 568799392 /nfs/dbraw/zinc/79/93/92/568799392.db2.gz PPRQEODLOQWFPL-GOSISDBHSA-N 0 0 446.642 2.804 50 0 IFAARN C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(C[C@@H](O)c2cccc(Br)c2)C1=O ZINC000084668126 568799750 /nfs/dbraw/zinc/79/97/50/568799750.db2.gz SVCFVQZJIOWQJF-QRWLVFNGSA-N 0 0 447.285 2.764 50 0 IFAARN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000084692180 568799999 /nfs/dbraw/zinc/79/99/99/568799999.db2.gz IDRLNYZFMULJKG-ZDUSSCGKSA-N 0 0 432.874 2.913 50 0 IFAARN CC[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1noc(-c2cccc(Br)c2)n1 ZINC000084734887 568800369 /nfs/dbraw/zinc/80/03/69/568800369.db2.gz NSNPMGRPIOILCV-BXUZGUMPSA-N 0 0 442.335 2.891 50 0 IFAARN CCCn1nc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)ccc1=O ZINC000084759116 568801155 /nfs/dbraw/zinc/80/11/55/568801155.db2.gz XTBPNJYUDMAANC-UHFFFAOYSA-N 0 0 434.334 2.894 50 0 IFAARN CCO[C@H](C)c1noc(CN2CCCN(CC(=O)N3CCCc4ccccc43)CC2)n1 ZINC000084800620 568801474 /nfs/dbraw/zinc/80/14/74/568801474.db2.gz JUGCJWOXIWCFPL-GOSISDBHSA-N 0 0 427.549 2.654 50 0 IFAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000015672267 568803204 /nfs/dbraw/zinc/80/32/04/568803204.db2.gz GTBZMCMGYWAYBL-INIZCTEOSA-N 0 0 429.546 2.596 50 0 IFAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCCC2)c(C)c1 ZINC000015680163 568805831 /nfs/dbraw/zinc/80/58/31/568805831.db2.gz BLJLQRWRFCHBBQ-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1 ZINC000015720714 568811631 /nfs/dbraw/zinc/81/16/31/568811631.db2.gz KMTSTCOJAYAUIX-UHFFFAOYSA-N 0 0 427.507 2.760 50 0 IFAARN CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032510701 568812069 /nfs/dbraw/zinc/81/20/69/568812069.db2.gz UVMDRICRANCMNW-SFHVURJKSA-N 0 0 431.452 2.919 50 0 IFAARN C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(=O)NCc1ccc(F)cc1 ZINC000015726700 568812536 /nfs/dbraw/zinc/81/25/36/568812536.db2.gz QHMSMAWZCKAYED-STQMWFEESA-N 0 0 436.530 2.985 50 0 IFAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc4c(c3)C(=O)N(C)C3=NCCN34)n[nH]c1-2 ZINC000015729795 568813612 /nfs/dbraw/zinc/81/36/12/568813612.db2.gz LAZNXMCAGINEOM-UHFFFAOYSA-N 0 0 442.479 2.698 50 0 IFAARN COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2c(c(OC)c1OC)OCO2 ZINC000085413055 568818663 /nfs/dbraw/zinc/81/86/63/568818663.db2.gz UUFLUGRCQIXCBE-IFXJQAMLSA-N 0 0 426.377 2.605 50 0 IFAARN O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000001460008 568819480 /nfs/dbraw/zinc/81/94/80/568819480.db2.gz NMHMEKYZJDVBGP-CYBMUJFWSA-N 0 0 427.737 2.659 50 0 IFAARN Cn1ccnc1C(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000261361176 568820541 /nfs/dbraw/zinc/82/05/41/568820541.db2.gz XNXPFPGYTGDSCF-KRWDZBQOSA-N 0 0 428.489 2.861 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NCc1ccc(F)cc1 ZINC000015768704 568822098 /nfs/dbraw/zinc/82/20/98/568822098.db2.gz NJRHYZWIZCKLEB-UHFFFAOYSA-N 0 0 430.501 2.605 50 0 IFAARN O=C(CN1CCCN(Cc2cccc(Cl)c2)S1(=O)=O)NCc1ccc(F)cc1 ZINC000015770646 568822336 /nfs/dbraw/zinc/82/23/36/568822336.db2.gz ZVDSEONGNDFCHG-UHFFFAOYSA-N 0 0 425.913 2.548 50 0 IFAARN Cc1ccc(NC(=O)N2CCN(Cc3nc4cc(C(=O)N(C)C)ccc4n3C)CC2)cc1 ZINC000015774945 568823324 /nfs/dbraw/zinc/82/33/24/568823324.db2.gz GNRPUVZKUDPKIX-UHFFFAOYSA-N 0 0 434.544 2.933 50 0 IFAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)ccc21 ZINC000015784398 568827471 /nfs/dbraw/zinc/82/74/71/568827471.db2.gz AONBFEMFZYEHHG-HXUWFJFHSA-N 0 0 425.554 2.938 50 0 IFAARN CN(Cc1ccccc1)C(=O)CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000085644756 568829625 /nfs/dbraw/zinc/82/96/25/568829625.db2.gz MNTAQUNVIRQQAC-UHFFFAOYSA-N 0 0 441.557 2.655 50 0 IFAARN O=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(F)cc1 ZINC000085651902 568831690 /nfs/dbraw/zinc/83/16/90/568831690.db2.gz UUDDQQGVDYGBFB-UHFFFAOYSA-N 0 0 435.502 2.625 50 0 IFAARN CC(=O)Nc1ccc(C(=O)N2CCCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000085654084 568832417 /nfs/dbraw/zinc/83/24/17/568832417.db2.gz LJUSAPSBYOKOFA-UHFFFAOYSA-N 0 0 445.523 2.852 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)cc1OC ZINC000085654696 568833837 /nfs/dbraw/zinc/83/38/37/568833837.db2.gz HVXBVHNHRDGEKW-UHFFFAOYSA-N 0 0 434.496 2.521 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3nc(CS(=O)(=O)c4ccccc4)no3)CC2)c1C ZINC000015786754 568836272 /nfs/dbraw/zinc/83/62/72/568836272.db2.gz NIKWJXIMRGDPKT-UHFFFAOYSA-N 0 0 440.525 2.623 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3nc(CS(=O)(=O)c4ccccc4)no3)C[C@@H]2C)c1 ZINC000015786752 568836314 /nfs/dbraw/zinc/83/63/14/568836314.db2.gz DJLZQSXWCCVBOJ-KRWDZBQOSA-N 0 0 440.525 2.703 50 0 IFAARN O=C(c1cccc(Cl)c1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000015824920 568840522 /nfs/dbraw/zinc/84/05/22/568840522.db2.gz KZFRFDCYXCPXHR-UHFFFAOYSA-N 0 0 437.866 2.965 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)[C@@H](C)CS4(=O)=O)cc3)CC2)c1C ZINC000015842780 568844664 /nfs/dbraw/zinc/84/46/64/568844664.db2.gz XUIDZWHKIZFFTF-KRWDZBQOSA-N 0 0 441.553 2.578 50 0 IFAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1cc(=O)n2ccsc2n1 ZINC000006153593 568847566 /nfs/dbraw/zinc/84/75/66/568847566.db2.gz FPDKVEUNICQHHO-UHFFFAOYSA-N 0 0 449.583 2.846 50 0 IFAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCn4c5ccccc5nc43)n2)cc1 ZINC000015862870 568849121 /nfs/dbraw/zinc/84/91/21/568849121.db2.gz AZFDYRGHOOXNFE-UHFFFAOYSA-N 0 0 442.479 2.591 50 0 IFAARN CCn1c(=O)c(N2CCN(C(=O)CC3CCCCC3)CC2)c(C)n(-c2ccccc2)c1=O ZINC000015863308 568849275 /nfs/dbraw/zinc/84/92/75/568849275.db2.gz LRHPBFCQVGEWHT-UHFFFAOYSA-N 0 0 438.572 2.947 50 0 IFAARN NC(=O)c1nc(-c2ccccc2Br)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 ZINC000015865170 568849880 /nfs/dbraw/zinc/84/98/80/568849880.db2.gz CHHSKIXCEKERFF-UHFFFAOYSA-N 0 0 428.221 2.776 50 0 IFAARN COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)c(OC)c1OC ZINC000015865757 568850533 /nfs/dbraw/zinc/85/05/33/568850533.db2.gz ZVIGCLCAFUNJLR-LJQANCHMSA-N 0 0 436.258 2.888 50 0 IFAARN Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)C[C@H]2C)c1 ZINC000015866082 568850680 /nfs/dbraw/zinc/85/06/80/568850680.db2.gz LCIYLQRYMFWIIA-LJQANCHMSA-N 0 0 442.585 2.528 50 0 IFAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)N2CCC3(CC2)OCCO3)cs1 ZINC000015880735 568854280 /nfs/dbraw/zinc/85/42/80/568854280.db2.gz WGWQJNRFCNMHKI-UHFFFAOYSA-N 0 0 432.502 2.704 50 0 IFAARN COc1cccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)c1 ZINC000015882589 568856957 /nfs/dbraw/zinc/85/69/57/568856957.db2.gz DTTHDJLGSRZOLS-HSZRJFAPSA-N 0 0 430.508 2.945 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000015884073 568857990 /nfs/dbraw/zinc/85/79/90/568857990.db2.gz MDMJHVUEGLVYNQ-UHFFFAOYSA-N 0 0 429.484 2.572 50 0 IFAARN CSc1ncc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)n1-c1ccc(F)cc1 ZINC000029348504 568865246 /nfs/dbraw/zinc/86/52/46/568865246.db2.gz NZJNWPDGPBPZAC-FQEVSTJZSA-N 0 0 436.578 2.671 50 0 IFAARN CCCCNC(=O)c1cnc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2c1O ZINC000006180946 568867579 /nfs/dbraw/zinc/86/75/79/568867579.db2.gz MVZOHTYNSFXJDR-UHFFFAOYSA-N 0 0 439.537 2.805 50 0 IFAARN COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4cc(F)ccc4F)C3=O)n2)cc1OC ZINC000012938681 568867779 /nfs/dbraw/zinc/86/77/79/568867779.db2.gz UEOMLGMOYGMRJV-NRFANRHFSA-N 0 0 444.394 2.999 50 0 IFAARN CC(C)NC(=O)NC(=O)CSc1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccco1 ZINC000012941598 568869914 /nfs/dbraw/zinc/86/99/14/568869914.db2.gz OQPXRPMGFKRGOH-GASCZTMLSA-N 0 0 434.566 2.728 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NCCOc2ccccc2OC)ccc1OC ZINC000012942064 568870135 /nfs/dbraw/zinc/87/01/35/568870135.db2.gz WMRUHZMXAASIFM-UHFFFAOYSA-N 0 0 436.530 2.543 50 0 IFAARN CC[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000012944280 568870427 /nfs/dbraw/zinc/87/04/27/568870427.db2.gz ABNYUXPCNJFJPF-UHFFFAOYSA-N 0 0 447.523 2.707 50 0 IFAARN O=S(=O)(NCc1ccccc1CN1CCOCC1)c1cccc(Br)c1 ZINC000012946275 568871155 /nfs/dbraw/zinc/87/11/55/568871155.db2.gz DPCUMKHUCXOOHY-UHFFFAOYSA-N 0 0 425.348 2.760 50 0 IFAARN Cc1ccc(OCc2nc(CC(=O)OCC(=O)Nc3sccc3C(N)=O)cs2)cc1 ZINC000016167268 568872083 /nfs/dbraw/zinc/87/20/83/568872083.db2.gz KZLDHPGGPLWCAZ-UHFFFAOYSA-N 0 0 445.522 2.915 50 0 IFAARN COc1cc2c3c(c1)C(CN1CCN(C(=O)c4ccccc4)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000575473009 568873279 /nfs/dbraw/zinc/87/32/79/568873279.db2.gz VEIZVBMJVYUBKR-UHFFFAOYSA-N 0 0 445.519 2.858 50 0 IFAARN CCOc1ccc(/C=c2\sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1OC ZINC000016265033 568875041 /nfs/dbraw/zinc/87/50/41/568875041.db2.gz OHQPFVSNZFVSEC-UNOMPAQXSA-N 0 0 437.477 2.698 50 0 IFAARN O=C(CCn1nnc2ccccc2c1=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000575606639 568878091 /nfs/dbraw/zinc/87/80/91/568878091.db2.gz OGEHANQLBNLLQH-UHFFFAOYSA-N 0 0 446.429 2.711 50 0 IFAARN Cc1cc(O[C@H]2CCCN(C(=O)CN3CCN(c4ccccc4F)C3=O)C2)nc(C)n1 ZINC000575608994 568878701 /nfs/dbraw/zinc/87/87/01/568878701.db2.gz IARADBOWWCPPKH-KRWDZBQOSA-N 0 0 427.480 2.545 50 0 IFAARN O=C(CSc1nccc(C(F)(F)F)n1)NCc1ccccc1CN1CCOCC1 ZINC000026481423 568878916 /nfs/dbraw/zinc/87/89/16/568878916.db2.gz VLOVTQBDUKFLOI-UHFFFAOYSA-N 0 0 426.464 2.736 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H](Oc3ncc(Br)cn3)C2)cc1C ZINC000575612040 568879327 /nfs/dbraw/zinc/87/93/27/568879327.db2.gz IITVVKPZHWQILA-AWEZNQCLSA-N 0 0 442.335 2.788 50 0 IFAARN O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 ZINC000575611949 568879356 /nfs/dbraw/zinc/87/93/56/568879356.db2.gz HDFOJOGOGNEAQK-OAHLLOKOSA-N 0 0 430.299 2.751 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)cc1C ZINC000575612045 568879473 /nfs/dbraw/zinc/87/94/73/568879473.db2.gz IITVVKPZHWQILA-CQSZACIVSA-N 0 0 442.335 2.788 50 0 IFAARN O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 ZINC000575612253 568879476 /nfs/dbraw/zinc/87/94/76/568879476.db2.gz KKLONEJGBDCQJD-LLVKDONJSA-N 0 0 434.262 2.749 50 0 IFAARN Cc1cc(C)n([C@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccsc2)n1 ZINC000575613894 568879800 /nfs/dbraw/zinc/87/98/00/568879800.db2.gz LFXMGELBRZHAGC-LJQANCHMSA-N 0 0 432.571 2.831 50 0 IFAARN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1cc(OC)ccc1OC ZINC000575617057 568881750 /nfs/dbraw/zinc/88/17/50/568881750.db2.gz WOBVMJMVBONGCN-BSLALVQMSA-N 0 0 447.509 2.609 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCCOC)c(O)c2c1 ZINC000006296481 568882333 /nfs/dbraw/zinc/88/23/33/568882333.db2.gz MPDIBDIVRJHDFA-UHFFFAOYSA-N 0 0 443.525 2.510 50 0 IFAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575620489 568882916 /nfs/dbraw/zinc/88/29/16/568882916.db2.gz RKZZJWNTHXSOOT-UHFFFAOYSA-N 0 0 428.436 2.764 50 0 IFAARN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)C1 ZINC000222215255 568885020 /nfs/dbraw/zinc/88/50/20/568885020.db2.gz AFJRDKZSKWDLSA-JSNMRZPZSA-N 0 0 428.485 2.951 50 0 IFAARN CCOC(=O)[C@H]1[C@@H]2c3ccccc3C=NN2[C@H](C(=O)OCC)[C@@H]2c3ccccc3C=NN12 ZINC000226814966 568885362 /nfs/dbraw/zinc/88/53/62/568885362.db2.gz UEGOQIIYBYDIQE-MYGLTJDJSA-N 0 0 432.480 2.645 50 0 IFAARN O=C(c1ccc(Oc2ncccn2)cc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 ZINC000090607782 568890164 /nfs/dbraw/zinc/89/01/64/568890164.db2.gz XXBNINKHIVLKQB-UHFFFAOYSA-N 0 0 427.468 2.812 50 0 IFAARN COc1ccc(SCC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1 ZINC000090608273 568891024 /nfs/dbraw/zinc/89/10/24/568891024.db2.gz HCJMVALYKHCLRN-UHFFFAOYSA-N 0 0 426.604 2.698 50 0 IFAARN C[C@@H](NC(=O)CSc1ncc(S(=O)(=O)c2ccccc2)c(N)n1)c1ccccc1 ZINC000090610062 568891567 /nfs/dbraw/zinc/89/15/67/568891567.db2.gz DKMHJSUQUOXYNV-CQSZACIVSA-N 0 0 428.539 2.861 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccccc1)n2C ZINC000006346206 568893079 /nfs/dbraw/zinc/89/30/79/568893079.db2.gz CNQQRIMBUOIPEY-UHFFFAOYSA-N 0 0 428.558 2.853 50 0 IFAARN C[C@H](Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012989489 568895352 /nfs/dbraw/zinc/89/53/52/568895352.db2.gz HSCQKJKMPDAPAZ-GOEBONIOSA-N 0 0 445.545 2.905 50 0 IFAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCC(C)(C)N1CCOCC1 ZINC000013003200 568898577 /nfs/dbraw/zinc/89/85/77/568898577.db2.gz OWEIYHFJNQWHFA-UHFFFAOYSA-N 0 0 426.439 2.740 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)CC2 ZINC000013007579 568899480 /nfs/dbraw/zinc/89/94/80/568899480.db2.gz WUMQGSGMAWSWAT-UHFFFAOYSA-N 0 0 430.423 2.999 50 0 IFAARN COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)c(C(=O)OC)c1C ZINC000013008190 568899506 /nfs/dbraw/zinc/89/95/06/568899506.db2.gz CVZUAWXGWYEIRX-UHFFFAOYSA-N 0 0 449.453 2.710 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000215760440 568901337 /nfs/dbraw/zinc/90/13/37/568901337.db2.gz JCIWCKWDLLVMQJ-IYBDPMFKSA-N 0 0 435.615 2.665 50 0 IFAARN COc1cccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)CC2=O)c1 ZINC000013022913 568902452 /nfs/dbraw/zinc/90/24/52/568902452.db2.gz JXESYUACPIHRAZ-KRWDZBQOSA-N 0 0 441.915 2.686 50 0 IFAARN CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 ZINC000253414633 568903340 /nfs/dbraw/zinc/90/33/40/568903340.db2.gz YAHFNFQPAGKEMR-MOPGFXCFSA-N 0 0 437.496 2.971 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000032889187 568905608 /nfs/dbraw/zinc/90/56/08/568905608.db2.gz XNCTWAUSUWSCOR-JLTOFOAXSA-N 0 0 434.514 2.604 50 0 IFAARN O=C(c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1)N1CCOCC1 ZINC000001785746 568907625 /nfs/dbraw/zinc/90/76/25/568907625.db2.gz WGSDCKNFJBOMHO-UHFFFAOYSA-N 0 0 439.899 2.633 50 0 IFAARN CCCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1OC ZINC000001808646 568908903 /nfs/dbraw/zinc/90/89/03/568908903.db2.gz NJCMUJJXHAGTSB-QNGOZBTKSA-N 0 0 449.532 2.837 50 0 IFAARN Cc1c(C([O-])=CC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)[n+](=O)c2ccccc2n1O ZINC000138311888 568909257 /nfs/dbraw/zinc/90/92/57/568909257.db2.gz RVAKHMVWDNXTGI-UHFFFAOYSA-O 0 0 434.350 2.901 50 0 IFAARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1cccc(I)c1 ZINC000016481560 568909769 /nfs/dbraw/zinc/90/97/69/568909769.db2.gz VOHMVGGOELMYFK-UHFFFAOYSA-N 0 0 437.281 2.758 50 0 IFAARN CCN(CC)C(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000239164807 568910619 /nfs/dbraw/zinc/91/06/19/568910619.db2.gz MYIJCHMIRGSJHK-PBHICJAKSA-N 0 0 436.350 2.661 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCCc3ccccc32)o1 ZINC000239351897 568911339 /nfs/dbraw/zinc/91/13/39/568911339.db2.gz AAKJHFCIDJEPLO-ZWKOTPCHSA-N 0 0 446.525 2.803 50 0 IFAARN CCOC(=O)[C@@H]1[C@@H]2c3ccccc3C=NN2[C@H](C(=O)OCC)[C@@H]2c3ccccc3C=NN12 ZINC000239415326 568911474 /nfs/dbraw/zinc/91/14/74/568911474.db2.gz UEGOQIIYBYDIQE-CMOCDZPBSA-N 0 0 432.480 2.645 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C[C@H](c3cccc(Br)c3)C(C(=O)[C@H]3CO3)=N2)cc1 ZINC000239433601 568911695 /nfs/dbraw/zinc/91/16/95/568911695.db2.gz YCFBQVVNYQQKNC-IAGOWNOFSA-N 0 0 449.326 2.870 50 0 IFAARN COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)NC4CCCC4)[C@H]5C3=O)nc2c1 ZINC000245246119 568913264 /nfs/dbraw/zinc/91/32/64/568913264.db2.gz IYFIFVRJEYGKAR-VIRVFLBCSA-N 0 0 425.510 2.650 50 0 IFAARN C[C@H](CNC(=O)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)c1ccccc1 ZINC000245247227 568913478 /nfs/dbraw/zinc/91/34/78/568913478.db2.gz SEYSCQWHGIRTND-MDASCCDHSA-N 0 0 429.567 2.900 50 0 IFAARN COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000245246503 568913492 /nfs/dbraw/zinc/91/34/92/568913492.db2.gz NBEZVFUWBMAGIP-JFNLIGNMSA-N 0 0 437.883 2.780 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NC[C@H](O)c3ccccc3)CC2)cc1 ZINC000245255299 568913604 /nfs/dbraw/zinc/91/36/04/568913604.db2.gz HEUPQPBHWIIXPE-JLMWRMLUSA-N 0 0 446.569 2.630 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3nccs3)CC2)cc1 ZINC000245257067 568914175 /nfs/dbraw/zinc/91/41/75/568914175.db2.gz WDPWLCFRBXRGFT-SHTZXODSSA-N 0 0 436.559 2.825 50 0 IFAARN O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N21 ZINC000247961782 568918877 /nfs/dbraw/zinc/91/88/77/568918877.db2.gz XVFQESNBXYQSTJ-VTSJOCERSA-N 0 0 428.488 2.934 50 0 IFAARN O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000026900679 568924225 /nfs/dbraw/zinc/92/42/25/568924225.db2.gz KIATYPRIJHYIEG-GOSISDBHSA-N 0 0 443.338 2.628 50 0 IFAARN CCCCNC(=O)Nc1cccc([C@H]2NC(=S)N(C)C(C)=C2C(=O)OCCOC)c1 ZINC000016610852 568925806 /nfs/dbraw/zinc/92/58/06/568925806.db2.gz FHSONXRRNATCLT-GOSISDBHSA-N 0 0 434.562 2.933 50 0 IFAARN COc1cccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3cccc(OC)c3OC)C2)c1 ZINC000089469739 568926586 /nfs/dbraw/zinc/92/65/86/568926586.db2.gz HVFSBEMFSSPVCD-OAQYLSRUSA-N 0 0 439.512 2.722 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)N(Cc1noc(C)n1)C(=O)CO2 ZINC000064450571 568928607 /nfs/dbraw/zinc/92/86/07/568928607.db2.gz YRTVASMOLLYPOF-UHFFFAOYSA-N 0 0 428.470 2.519 50 0 IFAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc32)no1 ZINC000064450594 568928635 /nfs/dbraw/zinc/92/86/35/568928635.db2.gz LJXFLBUTFCYWAY-UHFFFAOYSA-N 0 0 428.470 2.721 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc32)no1 ZINC000064450667 568928872 /nfs/dbraw/zinc/92/88/72/568928872.db2.gz GEBVTJRVWQZFJY-UHFFFAOYSA-N 0 0 442.497 2.975 50 0 IFAARN NC(=O)CN1CCN(c2nn3c(nc(-c4cccc(F)c4)c3NC3CCCC3)s2)CC1 ZINC000064451957 568929290 /nfs/dbraw/zinc/92/92/90/568929290.db2.gz NEPPROWADFLXFX-UHFFFAOYSA-N 0 0 443.552 2.559 50 0 IFAARN COc1cccc(C(=O)Nc2cc3c(cc2N2CCC(C)CC2)n(C)c(=O)c(=O)n3C)c1 ZINC000064526210 568931352 /nfs/dbraw/zinc/93/13/52/568931352.db2.gz PWBGAAMQKWQYHA-UHFFFAOYSA-N 0 0 436.512 2.734 50 0 IFAARN Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)N1CCCCCC1)C2 ZINC000064565617 568932519 /nfs/dbraw/zinc/93/25/19/568932519.db2.gz KUQQQWFEQJWOTM-UHFFFAOYSA-N 0 0 437.544 2.740 50 0 IFAARN CSc1nnc(-c2nn(C)c3c2CN(C(=O)c2ccc(Br)cc2)CC3)n1C ZINC000064567090 568933438 /nfs/dbraw/zinc/93/34/38/568933438.db2.gz PIWOFVLTXQWVID-UHFFFAOYSA-N 0 0 447.362 2.899 50 0 IFAARN Cn1nc(CN(C(=O)c2ccc(F)cc2)c2ccccc2)c2c1CCN(S(C)(=O)=O)C2 ZINC000064566788 568933694 /nfs/dbraw/zinc/93/36/94/568933694.db2.gz VQTAFFYHYDNSEV-UHFFFAOYSA-N 0 0 442.516 2.724 50 0 IFAARN O=C(c1ccccc1F)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064578975 568934056 /nfs/dbraw/zinc/93/40/56/568934056.db2.gz XMYAHVBZFISHHP-UHFFFAOYSA-N 0 0 443.482 2.941 50 0 IFAARN COc1ccc(-n2ccn3c(SCC(=O)Nc4ccccc4OC)nnc3c2=O)cc1 ZINC000064593129 568935811 /nfs/dbraw/zinc/93/58/11/568935811.db2.gz UDGNAICOSCUQNV-UHFFFAOYSA-N 0 0 437.481 2.628 50 0 IFAARN COc1cccc(-n2ccn3c(SCC(=O)Nc4ccc(F)cc4F)nnc3c2=O)c1 ZINC000064593695 568935996 /nfs/dbraw/zinc/93/59/96/568935996.db2.gz POCKLDJMRKBXBN-UHFFFAOYSA-N 0 0 443.435 2.898 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccc4c(c2)OCCO4)C1=O)C3 ZINC000100792388 568936579 /nfs/dbraw/zinc/93/65/79/568936579.db2.gz NKHOBZSGIXRIAJ-FQEVSTJZSA-N 0 0 433.464 2.638 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccc4c(c2)OCCO4)C1=O)C3 ZINC000030903989 568937455 /nfs/dbraw/zinc/93/74/55/568937455.db2.gz NKHOBZSGIXRIAJ-HXUWFJFHSA-N 0 0 433.464 2.638 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O)C3 ZINC000030903975 568937461 /nfs/dbraw/zinc/93/74/61/568937461.db2.gz GFHFWGFKMHTSCF-JOCHJYFZSA-N 0 0 432.480 2.825 50 0 IFAARN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000089573852 568938010 /nfs/dbraw/zinc/93/80/10/568938010.db2.gz QSSFXWZATCRVHB-CQSZACIVSA-N 0 0 425.913 2.813 50 0 IFAARN Cc1cc(C(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)c(C)n1C1CC1 ZINC000016695215 568938942 /nfs/dbraw/zinc/93/89/42/568938942.db2.gz YDFYKHQZSSTIKR-LJQANCHMSA-N 0 0 436.574 2.945 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccccc1F ZINC000035991088 568941787 /nfs/dbraw/zinc/94/17/87/568941787.db2.gz MRZIBNOJDAVASX-QRWLVFNGSA-N 0 0 447.507 2.614 50 0 IFAARN CCCCNC(=O)[C@H]1CN(C(=S)NC(C)C)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044711 568943948 /nfs/dbraw/zinc/94/39/48/568943948.db2.gz VXVDGSPJZDCPTA-SJORKVTESA-N 0 0 437.606 2.927 50 0 IFAARN COc1cccc([C@@H]2CN(C(=O)NC(C)C)C[C@@H]2C(=O)NCc2ccccn2)c1OC ZINC000036055256 568944271 /nfs/dbraw/zinc/94/42/71/568944271.db2.gz ULHPPGFYEZAJLT-OALUTQOASA-N 0 0 426.517 2.549 50 0 IFAARN CCOc1ccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)[C@@H](C)CC)cc1 ZINC000036063821 568945039 /nfs/dbraw/zinc/94/50/39/568945039.db2.gz ISUMQIQAHCWEBW-IBGZPJMESA-N 0 0 444.576 2.936 50 0 IFAARN COc1ccccc1CN(Cc1nc(C(=O)NCCN2CCOCC2)co1)[C@@H](C)C(C)C ZINC000036069085 568945552 /nfs/dbraw/zinc/94/55/52/568945552.db2.gz TUHVNBLIFQTHOR-IBGZPJMESA-N 0 0 444.576 2.792 50 0 IFAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)C4CC4)C4CC4)CC3)nn2)cc1 ZINC000036071410 568945918 /nfs/dbraw/zinc/94/59/18/568945918.db2.gz ZQARVOIPCGKHNE-UHFFFAOYSA-N 0 0 449.555 2.592 50 0 IFAARN CCCNC(=O)N(CC)CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000036083327 568947054 /nfs/dbraw/zinc/94/70/54/568947054.db2.gz IMYHCGRJMZTPRN-UHFFFAOYSA-N 0 0 442.539 2.763 50 0 IFAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccc(F)cc3)nn(-c3ccccc3)c2=O)cc1 ZINC000036085992 568948276 /nfs/dbraw/zinc/94/82/76/568948276.db2.gz QFTJFEKJRZEELG-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN CCN(CC)C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036085799 568948279 /nfs/dbraw/zinc/94/82/79/568948279.db2.gz YWASQJIUIYQEIT-UHFFFAOYSA-N 0 0 442.903 2.587 50 0 IFAARN CN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O ZINC000036085907 568948292 /nfs/dbraw/zinc/94/82/92/568948292.db2.gz ZINPZHVDPYUFCM-UHFFFAOYSA-N 0 0 426.476 2.715 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2=O)cc1C ZINC000036086244 568948387 /nfs/dbraw/zinc/94/83/87/568948387.db2.gz COQUZRZTLYEGCV-UHFFFAOYSA-N 0 0 440.503 2.989 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036086662 568949014 /nfs/dbraw/zinc/94/90/14/568949014.db2.gz NKQSNJYWLABFHP-OAHLLOKOSA-N 0 0 426.904 2.933 50 0 IFAARN Cc1cccc(-n2nc(C(=O)NCc3ccco3)c(=O)n(Cc3ccccc3C)c2=O)c1 ZINC000036086999 568949335 /nfs/dbraw/zinc/94/93/35/568949335.db2.gz YHTWJRQGJQCHNS-UHFFFAOYSA-N 0 0 430.464 2.582 50 0 IFAARN CC(C)c1ccc(-n2nc(C(=O)N3CCCC3)c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000036087835 568949597 /nfs/dbraw/zinc/94/95/97/568949597.db2.gz ZKQGVBBTTLBQFB-UHFFFAOYSA-N 0 0 436.487 2.941 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NC(C)C)c(=O)n(Cc3cccc(Cl)c3)c2=O)cc1F ZINC000036088906 568950118 /nfs/dbraw/zinc/95/01/18/568950118.db2.gz MAYKFQKAXSIHBW-UHFFFAOYSA-N 0 0 430.867 2.682 50 0 IFAARN COc1ccc(-c2ncc3c(ncn(CC(=O)Nc4cc(OC)cc(OC)c4)c3=O)n2)cc1 ZINC000064747818 568950461 /nfs/dbraw/zinc/95/04/61/568950461.db2.gz UYVZPMTVUBYUAU-UHFFFAOYSA-N 0 0 447.451 2.518 50 0 IFAARN CCCNC(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036089321 568950489 /nfs/dbraw/zinc/95/04/89/568950489.db2.gz LKKWMDJAYDTVCY-UHFFFAOYSA-N 0 0 442.903 2.553 50 0 IFAARN Cc1cc(C)cc(-n2nc(C(=O)NCc3ccco3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036093940 568950850 /nfs/dbraw/zinc/95/08/50/568950850.db2.gz MCDBTLDDRJQXHG-UHFFFAOYSA-N 0 0 430.464 2.582 50 0 IFAARN COc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CCC2(CC1)OCCO2 ZINC000064759234 568951781 /nfs/dbraw/zinc/95/17/81/568951781.db2.gz LSMMBJJVTNSIRJ-UHFFFAOYSA-N 0 0 437.500 2.572 50 0 IFAARN COc1ccc(-c2nc3cnccn3c2NCCC(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000064759108 568951877 /nfs/dbraw/zinc/95/18/77/568951877.db2.gz QDEUDTDLRIJNRK-UHFFFAOYSA-N 0 0 437.500 2.572 50 0 IFAARN C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775965 568954917 /nfs/dbraw/zinc/95/49/17/568954917.db2.gz PLKCRDVLLYZKTF-GOSISDBHSA-N 0 0 429.524 2.794 50 0 IFAARN COCCNC(=O)[C@]1(C)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1cccc(F)c1 ZINC000064816349 568965245 /nfs/dbraw/zinc/96/52/45/568965245.db2.gz NHSYBPUHEIPNRN-QFIPXVFZSA-N 0 0 442.516 2.928 50 0 IFAARN CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc21 ZINC000064818833 568965399 /nfs/dbraw/zinc/96/53/99/568965399.db2.gz RJMHNIHGWQARIM-UHFFFAOYSA-N 0 0 438.889 2.680 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCCCCCC2)cn1C ZINC000064819000 568965879 /nfs/dbraw/zinc/96/58/79/568965879.db2.gz MAGDRSSSUUBKCE-SFHVURJKSA-N 0 0 439.578 2.584 50 0 IFAARN COc1ccc(CN2C[C@H](C(=O)N(C)CCc3noc(-c4ccccc4)n3)CC2=O)cc1 ZINC000064840745 568969901 /nfs/dbraw/zinc/96/99/01/568969901.db2.gz PHBJGTVQRQKWGB-LJQANCHMSA-N 0 0 434.496 2.795 50 0 IFAARN COc1ccccc1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2)c1=O ZINC000064838494 568970067 /nfs/dbraw/zinc/97/00/67/568970067.db2.gz RIXUDRPETXQKHK-UHFFFAOYSA-N 0 0 426.494 2.945 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N(C)CCc2noc(COc3ccccc3)n2)c1 ZINC000064841572 568970426 /nfs/dbraw/zinc/97/04/26/568970426.db2.gz MYCNUMURYCUSET-UHFFFAOYSA-N 0 0 433.486 2.529 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccccc3F)n2)cc1 ZINC000064841915 568970648 /nfs/dbraw/zinc/97/06/48/568970648.db2.gz NCPKMPSKXZWRLB-UHFFFAOYSA-N 0 0 448.476 2.609 50 0 IFAARN CCCN(Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)C[C@@H](O)COC(C)(C)C ZINC000036206690 568972837 /nfs/dbraw/zinc/97/28/37/568972837.db2.gz DGOHFRKDDOKUIM-CQSZACIVSA-N 0 0 439.578 2.858 50 0 IFAARN CCOC(=O)c1sc2[nH]c(CN(C[C@@H](O)COC(C)(C)C)C(C)C)nc(=O)c2c1C ZINC000036206661 568972862 /nfs/dbraw/zinc/97/28/62/568972862.db2.gz OQMYONNGURYETO-CQSZACIVSA-N 0 0 439.578 2.856 50 0 IFAARN COCCCNC(=O)[C@@H](NC(=O)c1ccccc1F)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036208509 568973395 /nfs/dbraw/zinc/97/33/95/568973395.db2.gz RJKHHEOPJQEJPR-NRFANRHFSA-N 0 0 449.567 2.752 50 0 IFAARN O=C(N[C@@H](C(=O)NC1CC1)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1 ZINC000036209487 568973717 /nfs/dbraw/zinc/97/37/17/568973717.db2.gz LJGPWSLYANVBAD-LJQANCHMSA-N 0 0 429.517 2.817 50 0 IFAARN COc1cccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)C(C)C)CC2)c1 ZINC000036210876 568974428 /nfs/dbraw/zinc/97/44/28/568974428.db2.gz LOLGNVFCAMFPPF-NRFANRHFSA-N 0 0 429.561 2.701 50 0 IFAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210331 568974672 /nfs/dbraw/zinc/97/46/72/568974672.db2.gz ZGGSFRCJNMPPNS-JTSKRJEESA-N 0 0 431.577 2.993 50 0 IFAARN CC(C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036211464 568975408 /nfs/dbraw/zinc/97/54/08/568975408.db2.gz UAKBWOPFTLWIIP-NRFANRHFSA-N 0 0 445.560 2.713 50 0 IFAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccco2)CC1 ZINC000036211080 568976984 /nfs/dbraw/zinc/97/69/84/568976984.db2.gz QCJLHFRUMMZGGX-KKSFZXQISA-N 0 0 441.528 2.854 50 0 IFAARN CCNC(=S)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)N2CCCC[C@H]2C)CC1 ZINC000036214601 568977440 /nfs/dbraw/zinc/97/74/40/568977440.db2.gz PNHXICKXOULLOE-YLJYHZDGSA-N 0 0 430.618 2.792 50 0 IFAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)NC(C)C)cc1OS(=O)(=O)C(C)C ZINC000006765382 568978822 /nfs/dbraw/zinc/97/88/22/568978822.db2.gz KOHDUHVGEQTNTD-QGZVFWFLSA-N 0 0 428.551 2.911 50 0 IFAARN Cc1ccc(CNC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000064888873 568979707 /nfs/dbraw/zinc/97/97/07/568979707.db2.gz HXWPPIGYUSQUNV-UHFFFAOYSA-N 0 0 426.542 2.836 50 0 IFAARN O=C(CCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1ccccc1F ZINC000064889247 568979883 /nfs/dbraw/zinc/97/98/83/568979883.db2.gz YRHALRHRSJRVHA-UHFFFAOYSA-N 0 0 431.493 2.774 50 0 IFAARN Cc1nc2cc(-c3noc(CN4C(=O)COc5ccc(Cl)cc54)n3)ccc2n(C)c1=O ZINC000064890292 568981154 /nfs/dbraw/zinc/98/11/54/568981154.db2.gz SPFJIXLJLBODAH-UHFFFAOYSA-N 0 0 437.843 2.871 50 0 IFAARN CCCn1c2ccc(-c3noc(CNS(=O)(=O)c4ccccc4)n3)cc2nc(C)c1=O ZINC000064890410 568981271 /nfs/dbraw/zinc/98/12/71/568981271.db2.gz ZTMGLHKOXUAOCK-UHFFFAOYSA-N 0 0 439.497 2.643 50 0 IFAARN O=C(CCn1nc(C(=O)N2CCc3ccccc32)ccc1=O)NCc1ccc(Cl)cc1 ZINC000064891624 568982574 /nfs/dbraw/zinc/98/25/74/568982574.db2.gz YYNGOQQJUJHOBR-UHFFFAOYSA-N 0 0 436.899 2.806 50 0 IFAARN O=C(/C=C/c1ccccc1)N1CCN([C@@H](C(=O)N2CCSCC2)C2CCCC2)CC1 ZINC000036251182 568984462 /nfs/dbraw/zinc/98/44/62/568984462.db2.gz OJVBPAFNMNWFTP-BREAQWACSA-N 0 0 427.614 2.978 50 0 IFAARN O=C(NC[C@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036253823 568984543 /nfs/dbraw/zinc/98/45/43/568984543.db2.gz ZLSWCIKJHSEKMZ-NQIIRXRSSA-N 0 0 433.980 2.952 50 0 IFAARN O=C(NC[C@@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036253948 568984580 /nfs/dbraw/zinc/98/45/80/568984580.db2.gz UDELOTFNDCZLTK-LEWJYISDSA-N 0 0 433.980 2.952 50 0 IFAARN O=C(NC[C@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036253826 568984606 /nfs/dbraw/zinc/98/46/06/568984606.db2.gz ZLSWCIKJHSEKMZ-WIYYLYMNSA-N 0 0 433.980 2.952 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1)O[C@H](C)C(=O)N2 ZINC000064921124 568985628 /nfs/dbraw/zinc/98/56/28/568985628.db2.gz URAFHPXQOLAEIU-PBHICJAKSA-N 0 0 429.498 2.506 50 0 IFAARN Cc1c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc(C(=O)N2CCC(C)CC2)n1C ZINC000064922376 568986039 /nfs/dbraw/zinc/98/60/39/568986039.db2.gz GJWGIHJPGSBQII-UHFFFAOYSA-N 0 0 433.530 2.778 50 0 IFAARN COc1ccc(-n2nc(N3CCC[C@@H](C(=O)NCc4cccc(OC)c4)C3)ccc2=O)cc1 ZINC000064928282 568987510 /nfs/dbraw/zinc/98/75/10/568987510.db2.gz SOOVFPVCUFPTBH-LJQANCHMSA-N 0 0 448.523 2.783 50 0 IFAARN COc1cccc(-c2cc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)ncn2)c1 ZINC000064929293 568988156 /nfs/dbraw/zinc/98/81/56/568988156.db2.gz PJZJOONMMODNAP-UHFFFAOYSA-N 0 0 446.479 2.941 50 0 IFAARN CCOC(=O)CNC(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000064930718 568989041 /nfs/dbraw/zinc/98/90/41/568989041.db2.gz LILBLWBRIDBSSH-CYBMUJFWSA-N 0 0 437.909 2.853 50 0 IFAARN COc1ccccc1NC(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccccc2)c1=O ZINC000169681072 568991516 /nfs/dbraw/zinc/99/15/16/568991516.db2.gz GCUNLXHCKRETOL-UHFFFAOYSA-N 0 0 427.482 2.605 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(C)cc2)ccc1=O ZINC000064943428 568992524 /nfs/dbraw/zinc/99/25/24/568992524.db2.gz STXWBIRZYCYFMG-UHFFFAOYSA-N 0 0 447.900 2.685 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)Nc4ccc(F)cc4F)cc3oc2=O)no1 ZINC000064946877 568993732 /nfs/dbraw/zinc/99/37/32/568993732.db2.gz RRXIYSGGWJIQDJ-UHFFFAOYSA-N 0 0 436.396 2.667 50 0 IFAARN C[C@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)N5CCc6ccccc6C5)nc4c23)C1 ZINC000064945955 568994098 /nfs/dbraw/zinc/99/40/98/568994098.db2.gz CFDFFQPOCINGPH-AWEZNQCLSA-N 0 0 433.537 2.815 50 0 IFAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)N(C)C[C@H]3COc4ccccc4O3)cc21 ZINC000064952324 568998396 /nfs/dbraw/zinc/99/83/96/568998396.db2.gz CPNOVHJMJUYJPP-INIZCTEOSA-N 0 0 448.566 2.996 50 0 IFAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc1OC ZINC000064957567 568999077 /nfs/dbraw/zinc/99/90/77/568999077.db2.gz KLSQCSGIFSNAJS-UHFFFAOYSA-N 0 0 436.534 2.521 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4ccc(C)cc4s3)C2)c1 ZINC000064957994 568999080 /nfs/dbraw/zinc/99/90/80/568999080.db2.gz PLQRBNXKWDFQOR-AWEZNQCLSA-N 0 0 433.559 2.861 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4ccno4)c3)C2)c1 ZINC000064958043 568999089 /nfs/dbraw/zinc/99/90/89/568999089.db2.gz NRHZTBWWQCGYHU-MRXNPFEDSA-N 0 0 429.502 2.597 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4ccno4)c3)CC2)c1 ZINC000064957539 568999123 /nfs/dbraw/zinc/99/91/23/568999123.db2.gz NHRIWFBGYCNGQC-UHFFFAOYSA-N 0 0 429.502 2.597 50 0 IFAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)c(OC)c1 ZINC000064957568 568999133 /nfs/dbraw/zinc/99/91/33/568999133.db2.gz XNTBRWCTBKVKQZ-UHFFFAOYSA-N 0 0 436.534 2.521 50 0 IFAARN COc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)cc(OC)c1 ZINC000064958131 568999251 /nfs/dbraw/zinc/99/92/51/568999251.db2.gz VTEYSRBETCIYKE-HNNXBMFYSA-N 0 0 436.534 2.521 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCCCCC3)C1)O[C@@H](C)C(=O)N2 ZINC000169683573 568999875 /nfs/dbraw/zinc/99/98/75/568999875.db2.gz MMUQZZLQQOIEGJ-DLBZAZTESA-N 0 0 449.573 2.518 50 0 IFAARN Cc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000169684187 568999998 /nfs/dbraw/zinc/99/99/98/568999998.db2.gz FJAAMOFTFHLQBF-KDOFPFPSSA-N 0 0 429.498 2.506 50 0 IFAARN Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C ZINC000169684184 569000032 /nfs/dbraw/zinc/00/00/32/569000032.db2.gz ANGFUSWJVIJSIV-BEFAXECRSA-N 0 0 443.525 2.815 50 0 IFAARN Cc1ccc2c(=O)c(C(=O)N3CCCC3)cn(CC(=O)Nc3cc(F)ccc3F)c2n1 ZINC000064963765 569000887 /nfs/dbraw/zinc/00/08/87/569000887.db2.gz RATJJOAAQJMQQT-UHFFFAOYSA-N 0 0 426.423 2.858 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000064963937 569000898 /nfs/dbraw/zinc/00/08/98/569000898.db2.gz UPYJELWFNNBMOG-LJQANCHMSA-N 0 0 444.509 2.799 50 0 IFAARN CCn1c2c(nc(-c3cc(OC)ccc3OC)nc2C(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000064965903 569000948 /nfs/dbraw/zinc/00/09/48/569000948.db2.gz MVCVNZFPBXIBEM-UHFFFAOYSA-N 0 0 437.431 2.524 50 0 IFAARN CCn1c2c(nc(-c3ccc(OC)c(OC)c3)nc2C(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000064965953 569000957 /nfs/dbraw/zinc/00/09/57/569000957.db2.gz JKUZLTZHLFHSCU-UHFFFAOYSA-N 0 0 437.431 2.524 50 0 IFAARN COc1cc(OC)cc(-c2nc3c(c(C(N)=O)n2)n(C)c(=O)n3-c2ccc(C)c(C)c2)c1 ZINC000064966102 569001262 /nfs/dbraw/zinc/00/12/62/569001262.db2.gz GTZSVIALGFBVBZ-UHFFFAOYSA-N 0 0 433.468 2.519 50 0 IFAARN CCOc1ccccc1CNC(=O)CCc1c(C)nn(-c2ccc3nnc(C)n3n2)c1C ZINC000064977660 569077469 /nfs/dbraw/zinc/07/74/69/569077469.db2.gz FYAVYWRYDLCPJL-UHFFFAOYSA-N 0 0 433.516 2.883 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)cc1 ZINC000064977588 569077519 /nfs/dbraw/zinc/07/75/19/569077519.db2.gz GFTXSFKIXWAWED-UHFFFAOYSA-N 0 0 433.472 2.675 50 0 IFAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCOCC2)c1 ZINC000036341718 569079020 /nfs/dbraw/zinc/07/90/20/569079020.db2.gz SCTMGXABMFUTEH-NRFANRHFSA-N 0 0 427.476 2.853 50 0 IFAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCN(C(C)=O)CC2)cc1 ZINC000036341166 569079137 /nfs/dbraw/zinc/07/91/37/569079137.db2.gz OWJRAWULCLSSPB-QHCPKHFHSA-N 0 0 438.503 2.676 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000036341323 569079362 /nfs/dbraw/zinc/07/93/62/569079362.db2.gz OJMMJDVFEGSDPV-NRFANRHFSA-N 0 0 427.476 2.853 50 0 IFAARN O=C(CN1CCC2(CC1)OCCO2)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036342640 569079489 /nfs/dbraw/zinc/07/94/89/569079489.db2.gz HOMAKEKWZQNOIW-NRFANRHFSA-N 0 0 449.507 2.932 50 0 IFAARN Cc1ccc(C2=NN(C(=O)CN3CCC(C(N)=O)CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036342644 569079518 /nfs/dbraw/zinc/07/95/18/569079518.db2.gz BSTRGAWOOJDNGY-NRFANRHFSA-N 0 0 448.523 2.599 50 0 IFAARN COCCNC(=O)[C@H](NC(=O)C1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036342210 569079836 /nfs/dbraw/zinc/07/98/36/569079836.db2.gz KIVQPHKLJUYGPA-HXUWFJFHSA-N 0 0 449.979 2.630 50 0 IFAARN CCN1CCN(c2cc3c(cc2S(=O)(=O)N(C)C)C(=O)Nc2cc(C)ccc2O3)CC1 ZINC000064986704 569082182 /nfs/dbraw/zinc/08/21/82/569082182.db2.gz VLMQVZKDIJAKKN-UHFFFAOYSA-N 0 0 444.557 2.745 50 0 IFAARN COc1cc(-c2nnc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)o2)cc(OC)c1OC ZINC000064987856 569082685 /nfs/dbraw/zinc/08/26/85/569082685.db2.gz NUDRVIOOOOISRJ-UHFFFAOYSA-N 0 0 433.486 2.988 50 0 IFAARN COc1ccc(NC(=O)c2nnc(CNC(=O)NCc3cccc(OC)c3)s2)cc1 ZINC000064991376 569083556 /nfs/dbraw/zinc/08/35/56/569083556.db2.gz KNJXZXXXYRGPMI-UHFFFAOYSA-N 0 0 427.486 2.807 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCCCC3)N2C(=O)c2ccccc2)CC1 ZINC000006833420 569084327 /nfs/dbraw/zinc/08/43/27/569084327.db2.gz JKTVYVXBYSSWEM-HXUWFJFHSA-N 0 0 428.529 2.990 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064991573 569084554 /nfs/dbraw/zinc/08/45/54/569084554.db2.gz RSFPTLZFSQOSRC-UHFFFAOYSA-N 0 0 436.490 2.807 50 0 IFAARN COc1ccc(NC(=O)c2nnc(CNS(=O)(=O)c3cccc(Cl)c3)s2)cc1 ZINC000064991643 569084676 /nfs/dbraw/zinc/08/46/76/569084676.db2.gz XTCKSQDGWVEDDX-UHFFFAOYSA-N 0 0 438.918 2.931 50 0 IFAARN COc1ccc(NC(=O)c2nnc(CNS(=O)(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000064991619 569084747 /nfs/dbraw/zinc/08/47/47/569084747.db2.gz GKVYRAJJWVFCOW-UHFFFAOYSA-N 0 0 438.918 2.931 50 0 IFAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1cccc(OCc3cccnc3)c1)CC(=O)N2 ZINC000036360320 569086309 /nfs/dbraw/zinc/08/63/09/569086309.db2.gz MWYUEJSJSPIAOV-GOSISDBHSA-N 0 0 428.452 2.712 50 0 IFAARN COc1ccc(-c2ccc(Nc3ccccc3)nn2)cc1S(=O)(=O)N1CCOCC1 ZINC000065009748 569087972 /nfs/dbraw/zinc/08/79/72/569087972.db2.gz GGYKABFSKSSUHE-UHFFFAOYSA-N 0 0 426.498 2.917 50 0 IFAARN Cc1c2cc(C)c(C)c(S(=O)(=O)N3CCN(C)CC3)c2oc1C(=O)N1CCCCC1 ZINC000065010649 569088269 /nfs/dbraw/zinc/08/82/69/569088269.db2.gz JPQYFDBHGCAWGC-UHFFFAOYSA-N 0 0 433.574 2.920 50 0 IFAARN CN1C=C(C(=O)N2CCCC2)C(=O)C1c1nc2cc(NC(=O)[C@H]3CCCO3)ccc2n1C ZINC000036370030 569088523 /nfs/dbraw/zinc/08/85/23/569088523.db2.gz PODXBBBNXUYWCY-GOSISDBHSA-N 0 0 437.500 2.638 50 0 IFAARN COCCN1CCn2c(nc3cc(N[C@@H]4OC(=O)c5c4ccc(OC)c5OC)ccc32)C1 ZINC000036370002 569088563 /nfs/dbraw/zinc/08/85/63/569088563.db2.gz IOXLDYNITFYDHD-JOCHJYFZSA-N 0 0 438.484 2.797 50 0 IFAARN COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3ccc(OC)cc3)ccc2n1C ZINC000036369956 569088566 /nfs/dbraw/zinc/08/85/66/569088566.db2.gz KJXCKEHEFOROTE-UHFFFAOYSA-N 0 0 433.468 2.947 50 0 IFAARN CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc21 ZINC000065020917 569088721 /nfs/dbraw/zinc/08/87/21/569088721.db2.gz UWDKPNXYDIXJPD-UHFFFAOYSA-N 0 0 431.533 2.981 50 0 IFAARN CCc1ccc(NS(=O)(=O)c2cc3c(cc2C)N(Cc2noc(C)n2)C(=O)CO3)cc1 ZINC000065022580 569088976 /nfs/dbraw/zinc/08/89/76/569088976.db2.gz MNDNEMLRQQVOGE-UHFFFAOYSA-N 0 0 442.497 2.975 50 0 IFAARN CCC(C)(C)NS(=O)(=O)c1cc2c(cc1C)N(Cc1noc(C3CC3)n1)C(=O)CO2 ZINC000065022817 569089874 /nfs/dbraw/zinc/08/98/74/569089874.db2.gz LOQBZLMJIPXAJJ-UHFFFAOYSA-N 0 0 434.518 2.648 50 0 IFAARN O=C(CSc1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1)NCc1ccco1 ZINC000065025933 569090818 /nfs/dbraw/zinc/09/08/18/569090818.db2.gz NVDIMLBZSNHGFH-UHFFFAOYSA-N 0 0 427.505 2.944 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccc(C)cc1C ZINC000065029956 569091245 /nfs/dbraw/zinc/09/12/45/569091245.db2.gz QOWKNVWWACQVAS-UHFFFAOYSA-N 0 0 444.561 2.900 50 0 IFAARN CSc1cccc(NC(=O)NCCn2nnc3cc(S(=O)(=O)NC(C)C)ccc32)c1 ZINC000065030008 569091255 /nfs/dbraw/zinc/09/12/55/569091255.db2.gz SGWKRNSAMIFYLB-UHFFFAOYSA-N 0 0 448.574 2.662 50 0 IFAARN O=C(Cn1cccc1-c1nnc(-c2ccccc2)o1)N1CCN(C(=O)c2ccco2)CC1 ZINC000065035666 569092280 /nfs/dbraw/zinc/09/22/80/569092280.db2.gz BZBMDZROAUSWDU-UHFFFAOYSA-N 0 0 431.452 2.783 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)cc1 ZINC000036385520 569093000 /nfs/dbraw/zinc/09/30/00/569093000.db2.gz POEIMCLDEIOCDM-IBGZPJMESA-N 0 0 429.586 2.997 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)NCCCc1ccccc1 ZINC000169752346 569093089 /nfs/dbraw/zinc/09/30/89/569093089.db2.gz ABENRWSQTNCKLG-UHFFFAOYSA-N 0 0 434.471 2.543 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O ZINC000169752361 569093131 /nfs/dbraw/zinc/09/31/31/569093131.db2.gz UHMWPKMRHFXXNY-UHFFFAOYSA-N 0 0 436.443 2.750 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1cc(F)ccc1F ZINC000169752341 569093134 /nfs/dbraw/zinc/09/31/34/569093134.db2.gz YLSGSMTZKPSTSW-UHFFFAOYSA-N 0 0 428.370 2.711 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O ZINC000169752554 569093292 /nfs/dbraw/zinc/09/32/92/569093292.db2.gz BCZCQIWFASCEET-UHFFFAOYSA-N 0 0 438.871 2.956 50 0 IFAARN CC(C)CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000169759034 569093997 /nfs/dbraw/zinc/09/39/97/569093997.db2.gz SJMNJXUPXSGOGP-FQEVSTJZSA-N 0 0 428.508 2.918 50 0 IFAARN CN(C(=O)CN1CCCn2nc(C(=O)Nc3ccc(F)cc3)cc2C1=O)c1ccccc1 ZINC000169759568 569094000 /nfs/dbraw/zinc/09/40/00/569094000.db2.gz MAPCRDNQLGDFLE-UHFFFAOYSA-N 0 0 435.459 2.783 50 0 IFAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)N2CCc3ccccc32)C2=C1C(=O)OC2 ZINC000169758184 569094344 /nfs/dbraw/zinc/09/43/44/569094344.db2.gz KPFATAXMCFEVDL-JOCHJYFZSA-N 0 0 433.464 2.552 50 0 IFAARN CCn1c(=O)n(CC(=O)NCc2ccccc2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065057025 569095017 /nfs/dbraw/zinc/09/50/17/569095017.db2.gz PLMCTBDDTYHWKE-UHFFFAOYSA-N 0 0 449.898 2.610 50 0 IFAARN CCn1c(=O)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)c2cnc(-c3ccccc3)nc21 ZINC000065057304 569095164 /nfs/dbraw/zinc/09/51/64/569095164.db2.gz LVLMTLXIKUWVNG-UHFFFAOYSA-N 0 0 435.871 2.932 50 0 IFAARN O=C1c2c(-c3nc(-c4ccsc4)no3)nnn2CCN1CCOc1ccc(F)cc1 ZINC000169764963 569096659 /nfs/dbraw/zinc/09/66/59/569096659.db2.gz PVCUOTTXVUYZRI-UHFFFAOYSA-N 0 0 426.433 2.731 50 0 IFAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2OC)C2=C1C(=O)OC2 ZINC000169764797 569096752 /nfs/dbraw/zinc/09/67/52/569096752.db2.gz PUVUUPCSPYGNKH-NRFANRHFSA-N 0 0 437.452 2.610 50 0 IFAARN Cc1ccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccccc3Cl)NC2=O)cc1 ZINC000169764809 569096807 /nfs/dbraw/zinc/09/68/07/569096807.db2.gz JAQVTJRQRDNYKZ-FQEVSTJZSA-N 0 0 425.872 2.842 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)ccc4ncccc43)CC2)cc1 ZINC000036391044 569097674 /nfs/dbraw/zinc/09/76/74/569097674.db2.gz MSNMFLBKWSUWFP-UHFFFAOYSA-N 0 0 445.566 2.547 50 0 IFAARN CN(CCc1ccccn1)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000036391607 569098107 /nfs/dbraw/zinc/09/81/07/569098107.db2.gz RWECFEMTYKPRHO-UHFFFAOYSA-N 0 0 439.324 2.798 50 0 IFAARN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000036393021 569098398 /nfs/dbraw/zinc/09/83/98/569098398.db2.gz NYUNVHRCBMKYRO-FRIJYXMCSA-N 0 0 427.545 2.846 50 0 IFAARN COc1ccc(NC(=O)c2ccc(COC(=O)c3ccc(S(N)(=O)=O)o3)cc2)cc1 ZINC000036393286 569098413 /nfs/dbraw/zinc/09/84/13/569098413.db2.gz AGWQGIYZTOJCDE-UHFFFAOYSA-N 0 0 430.438 2.545 50 0 IFAARN O=C(CCn1nnc2cc(-c3noc(-c4ccc(F)c(F)c4)n3)ccc21)N1CCOCC1 ZINC000065076041 569099187 /nfs/dbraw/zinc/09/91/87/569099187.db2.gz SKHSUTBVVVMKTJ-UHFFFAOYSA-N 0 0 440.410 2.675 50 0 IFAARN Cc1cccc2c(=O)n(CCCC(=O)N3CCC(n4c5ccccc5[nH]c4=O)CC3)cnc12 ZINC000036397381 569100018 /nfs/dbraw/zinc/10/00/18/569100018.db2.gz KXSIMEFUUZDJDY-UHFFFAOYSA-N 0 0 445.523 2.992 50 0 IFAARN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000036397096 569100141 /nfs/dbraw/zinc/10/01/41/569100141.db2.gz GUNLEEONGGEUCV-JOCHJYFZSA-N 0 0 448.502 2.727 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000036397947 569100996 /nfs/dbraw/zinc/10/09/96/569100996.db2.gz STDRRONKXVDPJR-VQTJNVASSA-N 0 0 441.528 2.843 50 0 IFAARN O=C(Cc1ccc(Br)cc1)Nc1ccc(F)c(NC(=O)Cn2cncn2)c1 ZINC000036397621 569101090 /nfs/dbraw/zinc/10/10/90/569101090.db2.gz YYRVANGMQANQGM-UHFFFAOYSA-N 0 0 432.253 3.000 50 0 IFAARN CCN(CC)C(=O)CN1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000036398653 569101420 /nfs/dbraw/zinc/10/14/20/569101420.db2.gz NBUYPUDKLMHZGN-UHFFFAOYSA-N 0 0 431.540 2.923 50 0 IFAARN COC(=O)CNC(=O)[C@@H]1COc2ccc(NC(=O)c3ccc(Br)cc3)cc2C1 ZINC000065082576 569102393 /nfs/dbraw/zinc/10/23/93/569102393.db2.gz DNAUJBFVYQPEAE-AWEZNQCLSA-N 0 0 447.285 2.542 50 0 IFAARN CCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3OC)CC2)c(-c2ccccc2)n1 ZINC000169779514 569103213 /nfs/dbraw/zinc/10/32/13/569103213.db2.gz QACRLCFMQSKSPQ-UHFFFAOYSA-N 0 0 432.524 2.830 50 0 IFAARN COc1ccccc1CNS(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)cs1 ZINC000065097425 569103865 /nfs/dbraw/zinc/10/38/65/569103865.db2.gz HJQRZMAMUDALLA-UHFFFAOYSA-N 0 0 448.526 2.521 50 0 IFAARN C[C@H](C(=O)Nc1c(F)cccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000036422091 569105788 /nfs/dbraw/zinc/10/57/88/569105788.db2.gz YVDWXQRHZMPDLV-UONOGXRCSA-N 0 0 430.455 2.988 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2c(=O)nc3c4c5c(sc4ncn32)CCCC5)c1 ZINC000065111252 569106355 /nfs/dbraw/zinc/10/63/55/569106355.db2.gz IVRSVHNKVCMATL-UHFFFAOYSA-N 0 0 439.497 2.640 50 0 IFAARN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)N(C)Cc1ccco1 ZINC000065116645 569107409 /nfs/dbraw/zinc/10/74/09/569107409.db2.gz QYMQRWGQQKNEFE-UHFFFAOYSA-N 0 0 436.515 2.756 50 0 IFAARN O=C(Cc1cccs1)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000065113315 569108413 /nfs/dbraw/zinc/10/84/13/569108413.db2.gz LJEKPOFSMKFQPW-UHFFFAOYSA-N 0 0 445.548 2.793 50 0 IFAARN CSc1ccc(CNC(=O)c2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1 ZINC000065114016 569108635 /nfs/dbraw/zinc/10/86/35/569108635.db2.gz HAOVWPUCECPIPZ-UHFFFAOYSA-N 0 0 432.527 2.639 50 0 IFAARN Cc1ccccc1Cn1nc2c(S(=O)(=O)N3CCc4ccccc4C3)cccn2c1=O ZINC000065129279 569108811 /nfs/dbraw/zinc/10/88/11/569108811.db2.gz CIROZOTVPHGEOB-UHFFFAOYSA-N 0 0 434.521 2.600 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(-n2cnc(C(=O)NCc3ccc(OC)cc3)c2)cc1 ZINC000065131231 569109423 /nfs/dbraw/zinc/10/94/23/569109423.db2.gz REDHCNRGWBPTBB-UHFFFAOYSA-N 0 0 442.541 2.841 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)nn1)Nc1cccc(F)c1 ZINC000065131764 569109540 /nfs/dbraw/zinc/10/95/40/569109540.db2.gz UOASJVZEHVUZIJ-CQSZACIVSA-N 0 0 429.521 2.842 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)Nc3ccc(OC)cc3)nn2)C1 ZINC000065132002 569109652 /nfs/dbraw/zinc/10/96/52/569109652.db2.gz GYCUIDGVAGLUJC-MRXNPFEDSA-N 0 0 443.573 2.959 50 0 IFAARN O=C(Cn1ncc2c(c1=O)N(CC1CC1)C(=O)CS2)Nc1ccccc1C(F)(F)F ZINC000065132780 569109862 /nfs/dbraw/zinc/10/98/62/569109862.db2.gz KCTVXGAMQGNQLE-UHFFFAOYSA-N 0 0 438.431 2.750 50 0 IFAARN Cc1ccc(NC(=O)Cn2ncc3c(c2=O)N(C2CC2)C(=O)CS3)c(Br)c1 ZINC000065132743 569109869 /nfs/dbraw/zinc/10/98/69/569109869.db2.gz XQDOUBWJDRTYSM-UHFFFAOYSA-N 0 0 449.330 2.554 50 0 IFAARN CC(C)CN1C(=O)CSc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c21 ZINC000065132829 569109901 /nfs/dbraw/zinc/10/99/01/569109901.db2.gz ABQKXHOUOICYFC-UHFFFAOYSA-N 0 0 440.447 2.996 50 0 IFAARN CC(C)CN1C(=O)CSc2cnn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c21 ZINC000065132840 569109928 /nfs/dbraw/zinc/10/99/28/569109928.db2.gz AKCKJBARGLILKU-UHFFFAOYSA-N 0 0 440.447 2.996 50 0 IFAARN Cc1nn(Cc2ccc(C(=O)NCC3CC3)cc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000065138476 569110705 /nfs/dbraw/zinc/11/07/05/569110705.db2.gz OSBRDTXCHNTMGJ-UHFFFAOYSA-N 0 0 430.574 2.863 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)NC(=O)c1cccn1C)CC2 ZINC000036447674 569110856 /nfs/dbraw/zinc/11/08/56/569110856.db2.gz VYBUBQNXOUMRLJ-XMMPIXPASA-N 0 0 433.508 2.946 50 0 IFAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)NC(=O)c1cccn1C)CC2 ZINC000036447673 569110886 /nfs/dbraw/zinc/11/08/86/569110886.db2.gz VYBUBQNXOUMRLJ-DEOSSOPVSA-N 0 0 433.508 2.946 50 0 IFAARN CCN(C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1CCCCC1 ZINC000036447062 569111164 /nfs/dbraw/zinc/11/11/64/569111164.db2.gz RSSNFCBGXOXPBS-UHFFFAOYSA-N 0 0 427.998 2.828 50 0 IFAARN O=C(CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1)NC1CC1 ZINC000036446865 569111230 /nfs/dbraw/zinc/11/12/30/569111230.db2.gz LLJQSMRXIKTUCL-UHFFFAOYSA-N 0 0 435.553 2.637 50 0 IFAARN CCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C1CCCCC1 ZINC000036447064 569111232 /nfs/dbraw/zinc/11/12/32/569111232.db2.gz KVFAYNZSTLIJFI-UHFFFAOYSA-N 0 0 427.998 2.828 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c(N4CCc5ccccc5C4)nccn3c2=O)c(F)c1 ZINC000065151579 569111367 /nfs/dbraw/zinc/11/13/67/569111367.db2.gz GTBDQVDDWAMHTG-UHFFFAOYSA-N 0 0 432.459 2.540 50 0 IFAARN Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)c(C)n1Cc1ccco1 ZINC000036451014 569111396 /nfs/dbraw/zinc/11/13/96/569111396.db2.gz UGATWYGQIGBGQM-UHFFFAOYSA-N 0 0 447.582 2.997 50 0 IFAARN Cn1cc(CCN2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c2cccnc21 ZINC000065164771 569112784 /nfs/dbraw/zinc/11/27/84/569112784.db2.gz WCZNZLJQTQFVJY-UHFFFAOYSA-N 0 0 432.977 2.917 50 0 IFAARN O=C(c1csc(-c2ccc(N3CCSCC3)nc2)n1)N1CCC2(CC1)OCCO2 ZINC000065165649 569112954 /nfs/dbraw/zinc/11/29/54/569112954.db2.gz SSUMUPXJTAXZJA-UHFFFAOYSA-N 0 0 432.571 2.737 50 0 IFAARN CCc1nc2sc(C)nn2c1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000065183876 569113936 /nfs/dbraw/zinc/11/39/36/569113936.db2.gz UYGKMHQRBYZUND-UHFFFAOYSA-N 0 0 425.967 2.826 50 0 IFAARN COc1ccccc1NC(=O)Cn1c2csnc2c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000065184889 569114061 /nfs/dbraw/zinc/11/40/61/569114061.db2.gz UVPRWWNYDXQJJE-UHFFFAOYSA-N 0 0 436.493 2.624 50 0 IFAARN COc1cccc(-c2noc(Cn3ccn(-c4ccc(Cl)cc4)c(=O)c3=O)n2)c1OC ZINC000065198513 569114911 /nfs/dbraw/zinc/11/49/11/569114911.db2.gz ATYNPZPDDOEOPZ-UHFFFAOYSA-N 0 0 440.843 2.768 50 0 IFAARN CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)cc2C1 ZINC000065196109 569115552 /nfs/dbraw/zinc/11/55/52/569115552.db2.gz XZFOZAIQSHRTQY-UHFFFAOYSA-N 0 0 433.599 2.780 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1nc2cc(-c3ccc(OC)cc3)nc(C)n2c1=O ZINC000065196651 569115815 /nfs/dbraw/zinc/11/58/15/569115815.db2.gz KSSVYSGLQOPTJF-UHFFFAOYSA-N 0 0 433.468 2.912 50 0 IFAARN Cc1ccccc1N1CCN(C(=O)c2cn(-c3ccc(NC(=O)C4CC4)cn3)cn2)CC1 ZINC000065197063 569115920 /nfs/dbraw/zinc/11/59/20/569115920.db2.gz KDVPAQRCUUWDCU-UHFFFAOYSA-N 0 0 430.512 2.887 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)Nc4cc(C)ccc4F)cc3c(=O)n(C)c2=O)cc1 ZINC000065197124 569115922 /nfs/dbraw/zinc/11/59/22/569115922.db2.gz VHOVLGHKDQXUBA-UHFFFAOYSA-N 0 0 434.427 2.793 50 0 IFAARN CCOc1ccccc1NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2-c1ccc(OC)cc1 ZINC000065197109 569115935 /nfs/dbraw/zinc/11/59/35/569115935.db2.gz VIKPCXMMKWLIPS-UHFFFAOYSA-N 0 0 446.463 2.744 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000065212493 569116789 /nfs/dbraw/zinc/11/67/89/569116789.db2.gz TUAFBBTVRPYNIB-INIZCTEOSA-N 0 0 443.500 2.974 50 0 IFAARN Cc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCOCC5)nc4)no3)CC2)c1C ZINC000065216328 569116984 /nfs/dbraw/zinc/11/69/84/569116984.db2.gz RZBGETUCVDHWHK-UHFFFAOYSA-N 0 0 434.544 2.907 50 0 IFAARN CCN1CCCn2nc(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)cc2C1=O ZINC000065225914 569117844 /nfs/dbraw/zinc/11/78/44/569117844.db2.gz BSIMQYPKRMABJA-UHFFFAOYSA-N 0 0 430.574 2.934 50 0 IFAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)c1cccnc1 ZINC000036569661 569118380 /nfs/dbraw/zinc/11/83/80/569118380.db2.gz LQWZQZUEIUZBRK-JOCHJYFZSA-N 0 0 432.499 2.911 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(c2nc(C(=O)N(C)C)c(C)o2)CC1 ZINC000065232361 569119012 /nfs/dbraw/zinc/11/90/12/569119012.db2.gz NOXNZYGLRKKGAF-UHFFFAOYSA-N 0 0 441.937 2.915 50 0 IFAARN COc1cc2cc(C(=O)N[C@@H](C(=O)Nc3ccccn3)C(C)C)n(C)c2c(OC)c1OC ZINC000036585114 569119907 /nfs/dbraw/zinc/11/99/07/569119907.db2.gz CGPDBGKQFTXULN-GOSISDBHSA-N 0 0 440.500 2.992 50 0 IFAARN C=C1C(N2CCC(NC(=O)[C@H]3CCCO3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239101 569119909 /nfs/dbraw/zinc/11/99/09/569119909.db2.gz SRTPCZUFBLIFRR-QGZVFWFLSA-N 0 0 437.949 2.573 50 0 IFAARN C=C1C(N2CCC(NC(=O)c3cccnc3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239174 569120062 /nfs/dbraw/zinc/12/00/62/569120062.db2.gz IUQKLGWIXBBMEV-UHFFFAOYSA-N 0 0 428.489 2.588 50 0 IFAARN O=C(CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)NCc1cccs1 ZINC000065240188 569120697 /nfs/dbraw/zinc/12/06/97/569120697.db2.gz KZOKSMNAUGQJRI-UHFFFAOYSA-N 0 0 432.502 2.699 50 0 IFAARN CC(C)N1c2ccc(C(=O)NCCN3CCOCC3)cc2Sc2ncccc2C1=O ZINC000065241417 569120962 /nfs/dbraw/zinc/12/09/62/569120962.db2.gz AOFVOLDATLDOBK-UHFFFAOYSA-N 0 0 426.542 2.663 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)CC[C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)C1 ZINC000065245373 569121530 /nfs/dbraw/zinc/12/15/30/569121530.db2.gz GNOCACOJUDAECK-MSOLQXFVSA-N 0 0 429.565 2.849 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)ncn3)C2)C1 ZINC000065245371 569121666 /nfs/dbraw/zinc/12/16/66/569121666.db2.gz GNOCACOJUDAECK-ROUUACIJSA-N 0 0 429.565 2.849 50 0 IFAARN CCc1nnc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)o2)o1 ZINC000065246243 569121805 /nfs/dbraw/zinc/12/18/05/569121805.db2.gz IBWYPWLOYAGAGK-UHFFFAOYSA-N 0 0 430.486 2.606 50 0 IFAARN CC1CCN(c2cc(-c3noc(C(=O)N4CCN(c5ccccn5)CC4)n3)ccn2)CC1 ZINC000065245998 569121820 /nfs/dbraw/zinc/12/18/20/569121820.db2.gz LLYWHJZZGNKVDH-UHFFFAOYSA-N 0 0 433.516 2.725 50 0 IFAARN COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3ccc(Br)cc3)C1)C(=O)N2 ZINC000065248971 569121892 /nfs/dbraw/zinc/12/18/92/569121892.db2.gz AOZFDZVVCWVADD-GOSISDBHSA-N 0 0 437.315 2.742 50 0 IFAARN Cc1nc(-c2noc(-c3cccnc3)n2)cn1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000065250293 569122129 /nfs/dbraw/zinc/12/21/29/569122129.db2.gz SKMAOFBIJKCYGV-UHFFFAOYSA-N 0 0 429.484 2.652 50 0 IFAARN C[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)Cn1ccc(C(F)(F)F)n1 ZINC000036614556 569122286 /nfs/dbraw/zinc/12/22/86/569122286.db2.gz BGHGEOSCFCNLOH-ZDUSSCGKSA-N 0 0 430.452 2.643 50 0 IFAARN O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1c(F)c(F)cc(F)c1F ZINC000036614708 569122337 /nfs/dbraw/zinc/12/23/37/569122337.db2.gz OALZXDDXOTTZRP-UHFFFAOYSA-N 0 0 435.312 2.916 50 0 IFAARN O=C(NCc1ccccc1Cl)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1 ZINC000065254295 569122508 /nfs/dbraw/zinc/12/25/08/569122508.db2.gz TWNMODPRXWIVIT-UHFFFAOYSA-N 0 0 445.932 2.635 50 0 IFAARN COc1cccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)c1 ZINC000065259812 569124833 /nfs/dbraw/zinc/12/48/33/569124833.db2.gz YYIDUWBUQJFGPJ-NRFANRHFSA-N 0 0 443.569 2.978 50 0 IFAARN CN(C[C@H]1COc2ccccc2O1)C(=O)COC(=O)c1ccc(Br)s1 ZINC000013156194 569125755 /nfs/dbraw/zinc/12/57/55/569125755.db2.gz KHDFSXJMWLQZRL-NSHDSACASA-N 0 0 426.288 2.966 50 0 IFAARN Cc1occc1-c1nnc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000013163955 569125786 /nfs/dbraw/zinc/12/57/86/569125786.db2.gz SYGGWHNEDQRZAW-CQSZACIVSA-N 0 0 425.532 2.688 50 0 IFAARN Cc1cc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)no1 ZINC000013164730 569125802 /nfs/dbraw/zinc/12/58/02/569125802.db2.gz BSDCVQMFAKFXCH-UHFFFAOYSA-N 0 0 443.481 2.897 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)n2)cc1 ZINC000524733432 569127150 /nfs/dbraw/zinc/12/71/50/569127150.db2.gz RFIFEWSAFWBPFS-FQEVSTJZSA-N 0 0 435.480 2.740 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000524734110 569127458 /nfs/dbraw/zinc/12/74/58/569127458.db2.gz XOZYRKNRVQLIGM-SFHVURJKSA-N 0 0 428.876 2.974 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CCC2CCN(c3cc(NC4CC4)ncn3)CC2)CC1 ZINC000065274289 569128387 /nfs/dbraw/zinc/12/83/87/569128387.db2.gz KACGTPJYTWDWPF-UHFFFAOYSA-N 0 0 444.580 2.785 50 0 IFAARN C=C1C(N2CCC(NC(=O)NCc3ccco3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271815 569128602 /nfs/dbraw/zinc/12/86/02/569128602.db2.gz DHUFAXCOTMOVMR-UHFFFAOYSA-N 0 0 428.514 2.716 50 0 IFAARN C=C1C(N2CCC(NC(=O)NCCCOC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065271805 569128624 /nfs/dbraw/zinc/12/86/24/569128624.db2.gz HNVOODYAVLRBOZ-UHFFFAOYSA-N 0 0 448.589 2.522 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c(OC)c1 ZINC000065272821 569129254 /nfs/dbraw/zinc/12/92/54/569129254.db2.gz VRQOZPBEQRXFMZ-AWEZNQCLSA-N 0 0 430.526 2.981 50 0 IFAARN O=C(NCCCN1CCOCC1)[C@@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273125 569129276 /nfs/dbraw/zinc/12/92/76/569129276.db2.gz NZZCJDIDSFPFNW-GOSISDBHSA-N 0 0 433.618 2.708 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccc(C)c(C)c2)CC3)CC1 ZINC000065273387 569129475 /nfs/dbraw/zinc/12/94/75/569129475.db2.gz IUKCNJJANVONSS-IBGZPJMESA-N 0 0 426.586 2.850 50 0 IFAARN CCc1ccc(CNC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc1 ZINC000065273437 569129488 /nfs/dbraw/zinc/12/94/88/569129488.db2.gz QRIBNWBAMQYQBP-IBGZPJMESA-N 0 0 426.586 2.795 50 0 IFAARN CCCOc1ccc(CNC(=O)c2nc3nn(C)cc3c(N3CCSCC3)n2)cc1 ZINC000065284447 569130126 /nfs/dbraw/zinc/13/01/26/569130126.db2.gz XOCYMCRNRZYIEP-UHFFFAOYSA-N 0 0 426.546 2.635 50 0 IFAARN CC[C@]1(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C)CC2)CCN(C(=O)C(C)C)C1 ZINC000065292027 569130613 /nfs/dbraw/zinc/13/06/13/569130613.db2.gz CYPAFXZVDKDBFX-NRFANRHFSA-N 0 0 442.025 2.992 50 0 IFAARN COc1ccc(CCC(=O)N2CCN(c3nc4ccncc4n(CC(C)C)c3=O)CC2)cc1 ZINC000065292802 569130854 /nfs/dbraw/zinc/13/08/54/569130854.db2.gz PLOYOPUBXDPRDP-UHFFFAOYSA-N 0 0 449.555 2.738 50 0 IFAARN COc1cccc(CC(=O)N2CCCN([C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000065293281 569130898 /nfs/dbraw/zinc/13/08/98/569130898.db2.gz ZEWFTESVIHIOGT-HSZRJFAPSA-N 0 0 439.531 2.712 50 0 IFAARN O=C(NCc1cccc(F)c1)N1CCCN([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293350 569131053 /nfs/dbraw/zinc/13/10/53/569131053.db2.gz ZELUYHRFKUYAMB-QFIPXVFZSA-N 0 0 442.510 2.983 50 0 IFAARN O=C(Cn1ncc2c1ncnc2N1CCCCC1)NCc1cccc(Br)c1 ZINC000065295072 569131270 /nfs/dbraw/zinc/13/12/70/569131270.db2.gz HYPVLEHREJYUPK-UHFFFAOYSA-N 0 0 429.322 2.896 50 0 IFAARN Cc1ccc(NC(=O)Cn2ncc3c2ncnc3N2CCN(c3ccccn3)CC2)c(C)c1 ZINC000065295713 569131510 /nfs/dbraw/zinc/13/15/10/569131510.db2.gz USCNWFVVFYBRRT-UHFFFAOYSA-N 0 0 442.527 2.803 50 0 IFAARN CC(=O)c1cccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1 ZINC000065302086 569132839 /nfs/dbraw/zinc/13/28/39/569132839.db2.gz LOOWHPGXKYLVOG-UHFFFAOYSA-N 0 0 435.933 2.934 50 0 IFAARN O=C(CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21)NCc1ccccn1 ZINC000065304938 569132945 /nfs/dbraw/zinc/13/29/45/569132945.db2.gz XQDNWUMGRXBVCB-UHFFFAOYSA-N 0 0 433.443 2.922 50 0 IFAARN CCCCn1c2nc(CO)n(CCC)c2c(=O)n(Cc2coc(-c3cccs3)n2)c1=O ZINC000036689521 569132949 /nfs/dbraw/zinc/13/29/49/569132949.db2.gz VCBGQSJNALXCIM-UHFFFAOYSA-N 0 0 443.529 2.827 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccc(OCC)cc3)c(=O)n2c2ccsc2c1=O ZINC000065305298 569133104 /nfs/dbraw/zinc/13/31/04/569133104.db2.gz KZUHCUSGYPKXEQ-UHFFFAOYSA-N 0 0 441.513 2.710 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3c(C)cccc3C)c(=O)n2c2ccsc2c1=O ZINC000065305341 569133171 /nfs/dbraw/zinc/13/31/71/569133171.db2.gz JXNGZFHXKGVMBG-UHFFFAOYSA-N 0 0 425.514 2.928 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccc(C)c(C)c3)c(=O)n2c2ccsc2c1=O ZINC000065305308 569133199 /nfs/dbraw/zinc/13/31/99/569133199.db2.gz HEZHXOJFWFJTDN-UHFFFAOYSA-N 0 0 425.514 2.928 50 0 IFAARN Cc1cc(C)cc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3Cc3ccco3)c2=O)c1 ZINC000065305527 569133306 /nfs/dbraw/zinc/13/33/06/569133306.db2.gz VIAFVFMQZUIEOP-UHFFFAOYSA-N 0 0 449.492 2.769 50 0 IFAARN COc1ccccc1CNC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311439 569133741 /nfs/dbraw/zinc/13/37/41/569133741.db2.gz GMMJFKJLBQCRLG-UHFFFAOYSA-N 0 0 432.524 2.833 50 0 IFAARN Cc1nn(C)c(C)c1CNC(=O)[C@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000065312384 569133750 /nfs/dbraw/zinc/13/37/50/569133750.db2.gz HZPMKGDFUWOROP-AWEZNQCLSA-N 0 0 435.454 2.631 50 0 IFAARN COC(=O)C1CCN(C(=O)Cc2c(C)nc(S[C@@H](C)c3ccccc3)[nH]c2=O)CC1 ZINC000036705187 569134358 /nfs/dbraw/zinc/13/43/58/569134358.db2.gz HUMGOGOHKUSQIH-HNNXBMFYSA-N 0 0 429.542 2.886 50 0 IFAARN C[C@@H](Cc1ccco1)NC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000065319167 569134681 /nfs/dbraw/zinc/13/46/81/569134681.db2.gz QXNFCJMJMXJPOL-HNNXBMFYSA-N 0 0 444.513 2.865 50 0 IFAARN O=C(Cc1noc2ccccc12)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 ZINC000036700484 569135349 /nfs/dbraw/zinc/13/53/49/569135349.db2.gz COPBLROUSWBYEK-UHFFFAOYSA-N 0 0 432.415 2.809 50 0 IFAARN CN(CCc1ccncc1)C(=O)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314022 569135436 /nfs/dbraw/zinc/13/54/36/569135436.db2.gz IZUHRKMPIUQURJ-QFIPXVFZSA-N 0 0 431.540 2.604 50 0 IFAARN COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1ccccc1Br ZINC000238818649 569136434 /nfs/dbraw/zinc/13/64/34/569136434.db2.gz CBTROXUSANWWMR-SFHVURJKSA-N 0 0 426.332 2.960 50 0 IFAARN COc1ccc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1OC ZINC000036714344 569136590 /nfs/dbraw/zinc/13/65/90/569136590.db2.gz YRMZRGZWBHWCTB-UHFFFAOYSA-N 0 0 431.533 2.847 50 0 IFAARN Cc1nc(SCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)[nH]c(=O)c1CCO ZINC000065331000 569137031 /nfs/dbraw/zinc/13/70/31/569137031.db2.gz WGEKXMGEWUBUAY-UHFFFAOYSA-N 0 0 428.392 2.854 50 0 IFAARN O=C(CN1CCN(c2ccccc2)C1=O)N1CC[C@@H](Oc2ncccc2Br)C1 ZINC000238821015 569137185 /nfs/dbraw/zinc/13/71/85/569137185.db2.gz CQRPUWTUSDEQSL-MRXNPFEDSA-N 0 0 445.317 2.766 50 0 IFAARN O=S(=O)(Cc1noc2ccccc12)NCc1nnc2ccc(-c3cccs3)nn21 ZINC000238849477 569137431 /nfs/dbraw/zinc/13/74/31/569137431.db2.gz JCUXPRQICFNTPI-UHFFFAOYSA-N 0 0 426.483 2.614 50 0 IFAARN NC(=O)[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)CCO1 ZINC000065380943 569137645 /nfs/dbraw/zinc/13/76/45/569137645.db2.gz USPCLRNPSGESII-IRXDYDNUSA-N 0 0 436.281 2.573 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2cnccn2)cc1C1CC1 ZINC000238926727 569137927 /nfs/dbraw/zinc/13/79/27/569137927.db2.gz USCICJNYRLMWOS-UHFFFAOYSA-N 0 0 433.921 2.858 50 0 IFAARN Cn1cnc(S(=O)(=O)N2CCCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000238961725 569138115 /nfs/dbraw/zinc/13/81/15/569138115.db2.gz YNQIZFJCPZBFAR-UHFFFAOYSA-N 0 0 438.553 2.553 50 0 IFAARN CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000065515290 569139045 /nfs/dbraw/zinc/13/90/45/569139045.db2.gz QGINXHIIZXALIW-CYBMUJFWSA-N 0 0 428.304 2.880 50 0 IFAARN Cc1nn(C)c(Cl)c1COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000065553804 569139676 /nfs/dbraw/zinc/13/96/76/569139676.db2.gz AUXCFSTYURAUSZ-ZDUSSCGKSA-N 0 0 429.901 2.665 50 0 IFAARN NC(=O)COc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC000065591039 569139977 /nfs/dbraw/zinc/13/99/77/569139977.db2.gz YPECTCLBWHBQJP-UHFFFAOYSA-N 0 0 432.432 2.577 50 0 IFAARN NC(=O)[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c2ccccc2O1 ZINC000037201839 569140790 /nfs/dbraw/zinc/14/07/90/569140790.db2.gz BDDQVYNHTWZPRI-NFBKMPQASA-N 0 0 433.533 2.975 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)OCCOC)sc1NC(=O)CN1CCCC[C@@H]1C ZINC000007486480 569141015 /nfs/dbraw/zinc/14/10/15/569141015.db2.gz GOHAIGRQRCKSGY-ZDUSSCGKSA-N 0 0 426.535 2.849 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)OCCOC)sc1NC(=O)CN1CCCC[C@H]1C ZINC000007486481 569141030 /nfs/dbraw/zinc/14/10/30/569141030.db2.gz GOHAIGRQRCKSGY-CYBMUJFWSA-N 0 0 426.535 2.849 50 0 IFAARN Cc1cccn2cc(CC(=O)N3CCN([C@H]4CCCN(Cc5ccccc5)C4=O)CC3)nc12 ZINC000170593336 569141118 /nfs/dbraw/zinc/14/11/18/569141118.db2.gz ZSKLCLWCXHEQRS-QHCPKHFHSA-N 0 0 445.567 2.521 50 0 IFAARN CCCC(=O)N1CCCC[C@H]1C(=O)N1CC(n2cc(-c3ccc(OCC)cc3)nn2)C1 ZINC000170593244 569141130 /nfs/dbraw/zinc/14/11/30/569141130.db2.gz MFQQOJHHUODMLN-NRFANRHFSA-N 0 0 425.533 2.908 50 0 IFAARN Cc1nc2cc(C(=O)N3CCN([C@@H]4CCCN(Cc5ccccc5)C4=O)CC3)ccc2n1C ZINC000170593341 569141131 /nfs/dbraw/zinc/14/11/31/569141131.db2.gz BOLMVVLOOFYHJF-XMMPIXPASA-N 0 0 445.567 2.831 50 0 IFAARN CC(=O)NCCCOC(=O)c1cc(I)ccc1Br ZINC000170593409 569141197 /nfs/dbraw/zinc/14/11/97/569141197.db2.gz YZFLJXNDVSFQPH-UHFFFAOYSA-N 0 0 426.048 2.737 50 0 IFAARN COc1cc(CCC(=O)N2CCOC[C@H]2c2nc(C)no2)ccc1OCC(F)(F)F ZINC000170594336 569141433 /nfs/dbraw/zinc/14/14/33/569141433.db2.gz BYOCEWGCONFUKI-AWEZNQCLSA-N 0 0 429.395 2.860 50 0 IFAARN CCOC(=O)c1sc2nc(-c3cc(Br)c(C)n(C)c3=O)[nH]c(=O)c2c1C ZINC000170596406 569141871 /nfs/dbraw/zinc/14/18/71/569141871.db2.gz QXXMXKCYDMDSTR-UHFFFAOYSA-N 0 0 438.303 2.906 50 0 IFAARN CCC1(CC)CN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)c(C)c2)C(C)C)CC[S@]1=O ZINC000170597531 569142062 /nfs/dbraw/zinc/14/20/62/569142062.db2.gz QDGLQFZEMFPFIU-WHLCRQNOSA-N 0 0 442.647 2.756 50 0 IFAARN CCOC(COc1ccccc1CN1CCN(c2cc(C)nc3ncnn32)CC1)OCC ZINC000170601661 569143111 /nfs/dbraw/zinc/14/31/11/569143111.db2.gz FZXYBCSPLLEEOH-UHFFFAOYSA-N 0 0 440.548 2.533 50 0 IFAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(C3CC3)o2)cc1 ZINC000170601793 569143132 /nfs/dbraw/zinc/14/31/32/569143132.db2.gz JROXSZXZUHAZQN-UHFFFAOYSA-N 0 0 442.497 2.711 50 0 IFAARN CCOC(=O)c1cc(N2CCC(NS(=O)(=O)c3cccs3)CC2)ncc1Cl ZINC000170601981 569143167 /nfs/dbraw/zinc/14/31/67/569143167.db2.gz YIJIVFFZGJIBFP-UHFFFAOYSA-N 0 0 429.951 2.921 50 0 IFAARN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000170602472 569143277 /nfs/dbraw/zinc/14/32/77/569143277.db2.gz UWILMXMAWSKSSP-OALUTQOASA-N 0 0 446.527 2.810 50 0 IFAARN C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CCS1(=O)=O ZINC000170613670 569146168 /nfs/dbraw/zinc/14/61/68/569146168.db2.gz NJOMUQDFNVPSNP-AWEZNQCLSA-N 0 0 446.491 2.593 50 0 IFAARN CC(C)(C)c1ccccc1S(=O)(=O)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000170619825 569147502 /nfs/dbraw/zinc/14/75/02/569147502.db2.gz VSZWRJSIPKXVCJ-QGZVFWFLSA-N 0 0 427.526 2.857 50 0 IFAARN Cc1ccc(C(=O)CSc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)cc1 ZINC000170624399 569147970 /nfs/dbraw/zinc/14/79/70/569147970.db2.gz ZIOQOOXZSSZYLC-UHFFFAOYSA-N 0 0 434.521 2.765 50 0 IFAARN COc1ccc(-n2nc(C)c([C@]3(O)c4cc(Br)ccc4NC3=O)c2N)cc1 ZINC000170625891 569148438 /nfs/dbraw/zinc/14/84/38/569148438.db2.gz JXRWCLAFVRMWOA-LJQANCHMSA-N 0 0 429.274 2.722 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc4[nH]ccc43)C2=O)cc1OC ZINC000170625576 569148461 /nfs/dbraw/zinc/14/84/61/569148461.db2.gz QHGLXDHQPHFLRC-SFHVURJKSA-N 0 0 436.468 2.677 50 0 IFAARN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000170626746 569148746 /nfs/dbraw/zinc/14/87/46/569148746.db2.gz YHRRBSVHAGAKDG-SJORKVTESA-N 0 0 434.370 2.588 50 0 IFAARN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000170626747 569148777 /nfs/dbraw/zinc/14/87/77/569148777.db2.gz YHRRBSVHAGAKDG-DLBZAZTESA-N 0 0 434.370 2.588 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1cccc(Cl)c1 ZINC000009761703 569148971 /nfs/dbraw/zinc/14/89/71/569148971.db2.gz UNZBSSFHGBDBGW-UHFFFAOYSA-N 0 0 434.857 2.830 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(C)c(C)c1 ZINC000009761592 569149087 /nfs/dbraw/zinc/14/90/87/569149087.db2.gz OHTHVYXFZSAKGE-UHFFFAOYSA-N 0 0 428.466 2.794 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(OCC)cc1 ZINC000009761656 569149130 /nfs/dbraw/zinc/14/91/30/569149130.db2.gz KAVODOQVLFGATQ-UHFFFAOYSA-N 0 0 444.465 2.576 50 0 IFAARN NC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000009910071 569150455 /nfs/dbraw/zinc/15/04/55/569150455.db2.gz XMFBIDDJJYNOAA-SFHVURJKSA-N 0 0 447.582 2.611 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000009910192 569150466 /nfs/dbraw/zinc/15/04/66/569150466.db2.gz ZFCZDKYKKDGPHC-KRWDZBQOSA-N 0 0 433.574 2.899 50 0 IFAARN COc1ccc2nnc(CCCC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)n2n1 ZINC000071284380 569150820 /nfs/dbraw/zinc/15/08/20/569150820.db2.gz SUPOJYXSQCHHSS-UHFFFAOYSA-N 0 0 429.908 2.619 50 0 IFAARN COc1cccc(NC(=O)C[C@@H](C[NH+]2CCN(c3ccccc3OC)CC2)C(=O)[O-])c1 ZINC000071285534 569150887 /nfs/dbraw/zinc/15/08/87/569150887.db2.gz DXJOSQKFPPDYEF-KRWDZBQOSA-N 0 0 427.501 2.555 50 0 IFAARN O=C(CCC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000010220126 569152839 /nfs/dbraw/zinc/15/28/39/569152839.db2.gz HCJZIGMKYNRECL-UHFFFAOYSA-N 0 0 436.480 2.851 50 0 IFAARN COc1ccccc1CNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O ZINC000010220817 569153040 /nfs/dbraw/zinc/15/30/40/569153040.db2.gz ZZXLLSZKSNPYNA-UHFFFAOYSA-N 0 0 428.286 2.998 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 ZINC000010220899 569153053 /nfs/dbraw/zinc/15/30/53/569153053.db2.gz ADIRUBFTGICYLB-UHFFFAOYSA-N 0 0 440.456 2.742 50 0 IFAARN CN1CCN(n2c3c(c(SCc4ccc(Br)cc4)nc2=O)CCC3)CC1 ZINC000010255152 569153952 /nfs/dbraw/zinc/15/39/52/569153952.db2.gz BSOVSLZFTOYWIM-UHFFFAOYSA-N 0 0 435.391 2.670 50 0 IFAARN CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(C[C@@H]3CCCO3)c3c2CCC3)cc1 ZINC000010255284 569154125 /nfs/dbraw/zinc/15/41/25/569154125.db2.gz RPFGXTAAWKNOET-KRWDZBQOSA-N 0 0 427.526 2.844 50 0 IFAARN O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC000071818928 569154670 /nfs/dbraw/zinc/15/46/70/569154670.db2.gz ZECMAEYDBVAUCA-UHFFFAOYSA-N 0 0 427.508 2.940 50 0 IFAARN O=C(Nc1nnc(Cc2cccs2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000013653606 569156454 /nfs/dbraw/zinc/15/64/54/569156454.db2.gz HDWMYLHHMKHURQ-OAHLLOKOSA-N 0 0 436.490 2.653 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@H]2CCCO2)CC3)cc1OC ZINC000013696666 569156718 /nfs/dbraw/zinc/15/67/18/569156718.db2.gz IRLLEDPSLROUNG-LJQANCHMSA-N 0 0 432.498 2.573 50 0 IFAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)COc4ccc(C)c(C)c4)nn32)cc1 ZINC000013706115 569156819 /nfs/dbraw/zinc/15/68/19/569156819.db2.gz ZHVYXPSEIIKTIE-UHFFFAOYSA-N 0 0 447.495 2.991 50 0 IFAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2c(cccc2F)s1 ZINC000013793612 569157074 /nfs/dbraw/zinc/15/70/74/569157074.db2.gz AHWLSUFRFUYNMD-DZGCQCFKSA-N 0 0 441.550 2.762 50 0 IFAARN Cc1ccc(-c2ccc(=O)n(CCCNC(=O)[C@H](C)Oc3ccc4c(c3)OCO4)n2)cc1 ZINC000013801209 569157182 /nfs/dbraw/zinc/15/71/82/569157182.db2.gz NGZRMEBXENMDQS-KRWDZBQOSA-N 0 0 435.480 2.921 50 0 IFAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000014049030 569157719 /nfs/dbraw/zinc/15/77/19/569157719.db2.gz ODKOMJYLCYSZDJ-UHFFFAOYSA-N 0 0 435.933 2.969 50 0 IFAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O ZINC000014171351 569157929 /nfs/dbraw/zinc/15/79/29/569157929.db2.gz HQCBMQJCWVRIGK-MRXNPFEDSA-N 0 0 425.485 2.910 50 0 IFAARN O=S(=O)(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc2c(c1)CCC2 ZINC000014208220 569158019 /nfs/dbraw/zinc/15/80/19/569158019.db2.gz UEWUPGUXQRYHDB-UHFFFAOYSA-N 0 0 434.583 2.828 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000014264537 569158335 /nfs/dbraw/zinc/15/83/35/569158335.db2.gz NUNDICPKNMKUCO-UHFFFAOYSA-N 0 0 433.917 2.934 50 0 IFAARN Cc1ccc(CCC(=O)NCC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000089632222 569160238 /nfs/dbraw/zinc/16/02/38/569160238.db2.gz QCGQZDCVJJQQNU-FQEVSTJZSA-N 0 0 429.586 2.637 50 0 IFAARN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000089669148 569161078 /nfs/dbraw/zinc/16/10/78/569161078.db2.gz HYLUSFAUFBQDJC-BWKNWUBXSA-N 0 0 435.524 2.778 50 0 IFAARN Cc1nnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)n1-c1cccc(C)c1 ZINC000089686107 569161286 /nfs/dbraw/zinc/16/12/86/569161286.db2.gz IBAAISBBDLFSRM-UHFFFAOYSA-N 0 0 425.514 2.554 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)Cc3cccs3)CC2)cc1 ZINC000016838925 569162923 /nfs/dbraw/zinc/16/29/23/569162923.db2.gz PKJFJCSOCVVZRY-UHFFFAOYSA-N 0 0 449.540 2.562 50 0 IFAARN CC(C)CCNC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)s2)c(N)n1 ZINC000016842515 569163436 /nfs/dbraw/zinc/16/34/36/569163436.db2.gz BZERTXNIMHWDQU-UHFFFAOYSA-N 0 0 434.996 2.861 50 0 IFAARN CC(C)(C)S(=O)(=O)c1ccc(NCCN2CCN(c3cccc(Cl)c3)CC2)nn1 ZINC000016844624 569163783 /nfs/dbraw/zinc/16/37/83/569163783.db2.gz VEUKGNDHOIWUQE-UHFFFAOYSA-N 0 0 437.997 2.936 50 0 IFAARN O=C(COC(=O)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1)NC1CCCCC1 ZINC000016845353 569163818 /nfs/dbraw/zinc/16/38/18/569163818.db2.gz UUXWVSWLLXYQED-NRFANRHFSA-N 0 0 443.525 2.695 50 0 IFAARN CC(C)Sc1ccc2nn(CC(=O)Nc3ccc(Br)cc3F)c(=O)n2n1 ZINC000016844543 569163834 /nfs/dbraw/zinc/16/38/34/569163834.db2.gz CJLHUORPCMEMCM-UHFFFAOYSA-N 0 0 440.298 2.932 50 0 IFAARN COc1cc2c(cc1OC)CN(S(=O)(=O)CCCNC(=O)CC1CCCCC1)CC2 ZINC000016849464 569164568 /nfs/dbraw/zinc/16/45/68/569164568.db2.gz JPEJUKFCXWSCFB-UHFFFAOYSA-N 0 0 438.590 2.868 50 0 IFAARN COc1cc(OC)c(NC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)cc1Cl ZINC000016850910 569164875 /nfs/dbraw/zinc/16/48/75/569164875.db2.gz KZUQXNXSPRWSPM-LLVKDONJSA-N 0 0 439.921 2.654 50 0 IFAARN O=C(c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2)N1CCC(Cc2ccccc2)CC1 ZINC000016850968 569164894 /nfs/dbraw/zinc/16/48/94/569164894.db2.gz LYINAPKVGCJVAM-IBGZPJMESA-N 0 0 427.570 2.826 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1 ZINC000016851251 569164981 /nfs/dbraw/zinc/16/49/81/569164981.db2.gz NKQOSUAALJHCGB-UHFFFAOYSA-N 0 0 425.470 2.613 50 0 IFAARN O=C(COC(=O)c1ccc2n[nH]c(=O)n2c1)NCCC(c1ccccc1)c1ccccc1 ZINC000089826227 569165223 /nfs/dbraw/zinc/16/52/23/569165223.db2.gz USBXLBCWXQRWDU-UHFFFAOYSA-N 0 0 430.464 2.518 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000016890761 569165546 /nfs/dbraw/zinc/16/55/46/569165546.db2.gz SPJNKBCWXFUQGO-UHFFFAOYSA-N 0 0 446.438 2.587 50 0 IFAARN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000089840142 569165627 /nfs/dbraw/zinc/16/56/27/569165627.db2.gz VWOIMEQOADRASI-LJQANCHMSA-N 0 0 443.562 2.829 50 0 IFAARN NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CSc1nc2ccccc2s1 ZINC000089878631 569166479 /nfs/dbraw/zinc/16/64/79/569166479.db2.gz RQJSCUYITMMZER-UHFFFAOYSA-N 0 0 428.539 2.963 50 0 IFAARN C[C@@H](O)C[C@@H]1CCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000089895228 569166669 /nfs/dbraw/zinc/16/66/69/569166669.db2.gz VJQLMTWIDHYBCW-WBVHZDCISA-N 0 0 438.571 2.714 50 0 IFAARN CC(C)c1cc(Br)ccc1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000089893291 569166696 /nfs/dbraw/zinc/16/66/96/569166696.db2.gz PQOWICHXEBVKGA-UHFFFAOYSA-N 0 0 445.111 2.824 50 0 IFAARN COc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccs4)nn23)c1 ZINC000016960383 569168113 /nfs/dbraw/zinc/16/81/13/569168113.db2.gz YSDRXQWCUJXMEI-UHFFFAOYSA-N 0 0 427.511 2.825 50 0 IFAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000014706468 569168503 /nfs/dbraw/zinc/16/85/03/569168503.db2.gz NNAYRNZGVFFLQJ-UHFFFAOYSA-N 0 0 443.617 2.649 50 0 IFAARN CCCCn1c(CCC(=O)N2CCc3ccccc3C2)nc2c1c(=O)[nH]c(=O)n2CCC ZINC000089955412 569168767 /nfs/dbraw/zinc/16/87/67/569168767.db2.gz JKUWQFJXETWFIO-UHFFFAOYSA-N 0 0 437.544 2.614 50 0 IFAARN CCOc1ccc(-c2nc(CC(=O)N[C@@H]3CCN(c4cc(C)nn4C)C3=O)cs2)cc1 ZINC000089991207 569170118 /nfs/dbraw/zinc/17/01/18/569170118.db2.gz CWYBOWNMGMQWBH-GOSISDBHSA-N 0 0 439.541 2.715 50 0 IFAARN Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)c2ccccc2)c1 ZINC000017026679 569171124 /nfs/dbraw/zinc/17/11/24/569171124.db2.gz ROTXWVCGBGQGBB-UHFFFAOYSA-N 0 0 447.520 2.827 50 0 IFAARN COc1cccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)c1 ZINC000017050881 569171744 /nfs/dbraw/zinc/17/17/44/569171744.db2.gz SVMDQWAEWMAWDU-UHFFFAOYSA-N 0 0 430.526 2.657 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1cccc(OC/C=C/c2ccccc2)c1 ZINC000017148756 569174711 /nfs/dbraw/zinc/17/47/11/569174711.db2.gz XWKBBVIGXZRLQW-JXMROGBWSA-N 0 0 429.480 2.678 50 0 IFAARN Cn1c2nc(NCc3ccco3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000008984766 569174761 /nfs/dbraw/zinc/17/47/61/569174761.db2.gz ZMGMBBZDZXLSMR-UHFFFAOYSA-N 0 0 434.283 2.994 50 0 IFAARN O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)c1ccc(Cl)cc1 ZINC000017170303 569175399 /nfs/dbraw/zinc/17/53/99/569175399.db2.gz SVVWBBVDKYDSKB-UHFFFAOYSA-N 0 0 449.850 2.872 50 0 IFAARN O=C(CSc1nccn1Cc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 ZINC000017170391 569175509 /nfs/dbraw/zinc/17/55/09/569175509.db2.gz JFONCQLLSRPOJH-UHFFFAOYSA-N 0 0 425.466 2.797 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NC[C@@H]1CCCO1 ZINC000002875526 569177563 /nfs/dbraw/zinc/17/75/63/569177563.db2.gz AMCPVUKZKCWNCH-IBGZPJMESA-N 0 0 430.526 2.502 50 0 IFAARN CCO[C@@H]1C[C@H](N(C)C(=O)CN2C(=O)COc3cc(Br)ccc32)C1(C)C ZINC000170636648 569178105 /nfs/dbraw/zinc/17/81/05/569178105.db2.gz IDUXWCYYBVWUEC-JKSUJKDBSA-N 0 0 425.323 2.837 50 0 IFAARN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000170637030 569178342 /nfs/dbraw/zinc/17/83/42/569178342.db2.gz JLQSSKAGTRDQKL-JKSUJKDBSA-N 0 0 425.963 2.692 50 0 IFAARN COc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)cc1 ZINC000006924802 569178529 /nfs/dbraw/zinc/17/85/29/569178529.db2.gz GPFDSPMUBJMLOV-CQSZACIVSA-N 0 0 448.566 2.805 50 0 IFAARN COC(=O)c1cc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)oc1C ZINC000027142056 569181217 /nfs/dbraw/zinc/18/12/17/569181217.db2.gz BYQIMGTZGCOHFY-GQCTYLIASA-N 0 0 440.452 2.994 50 0 IFAARN CC(C)c1ccc(-c2nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc3nn(C)c(N)c32)cc1 ZINC000037360875 569181562 /nfs/dbraw/zinc/18/15/62/569181562.db2.gz NPRBAOXAGPSWOT-SFHVURJKSA-N 0 0 449.559 2.564 50 0 IFAARN CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000008888320 569182973 /nfs/dbraw/zinc/18/29/73/569182973.db2.gz QPLWJVFJFYAMHG-AWEZNQCLSA-N 0 0 438.436 2.681 50 0 IFAARN CC(=O)O[C@@H]1[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H](OCc2ccccc2)[C@H]1OC(C)=O ZINC000252427015 569183269 /nfs/dbraw/zinc/18/32/69/569183269.db2.gz RBWWJLZVOQGLQV-WVYLNQBTSA-N 0 0 442.464 2.906 50 0 IFAARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000207999678 569183782 /nfs/dbraw/zinc/18/37/82/569183782.db2.gz BQAODTVBUJGQHU-KXBFYZLASA-N 0 0 436.443 2.854 50 0 IFAARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000207999639 569183829 /nfs/dbraw/zinc/18/38/29/569183829.db2.gz BQAODTVBUJGQHU-DNVCBOLYSA-N 0 0 436.443 2.854 50 0 IFAARN CC[C@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000252484647 569186558 /nfs/dbraw/zinc/18/65/58/569186558.db2.gz GCNJGALYGGLTRY-QANKJYHBSA-N 0 0 439.965 2.700 50 0 IFAARN COc1ccc(C2(NC(=O)C(=O)NC[C@@H]3COc4ccccc4O3)CCCC2)cc1OC ZINC000027240939 569187180 /nfs/dbraw/zinc/18/71/80/569187180.db2.gz UXQKRMKFVVEFMP-QGZVFWFLSA-N 0 0 440.496 2.546 50 0 IFAARN COc1ccc(C2(NC(=O)C(=O)NC[C@H]3COc4ccccc4O3)CCCC2)cc1OC ZINC000027240946 569187211 /nfs/dbraw/zinc/18/72/11/569187211.db2.gz UXQKRMKFVVEFMP-KRWDZBQOSA-N 0 0 440.496 2.546 50 0 IFAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCn1cc(-c2nc(-c3cccnc3)no2)nn1 ZINC000252498982 569188114 /nfs/dbraw/zinc/18/81/14/569188114.db2.gz RSIAUNZATFBDLG-CYBMUJFWSA-N 0 0 439.863 2.627 50 0 IFAARN CC(C)n1c(CCNC(=O)C[C@H]2NC(=O)N(Cc3ccccc3)C2=O)nc2ccccc21 ZINC000252528079 569189806 /nfs/dbraw/zinc/18/98/06/569189806.db2.gz DZVWXAMPLJRZIP-LJQANCHMSA-N 0 0 433.512 2.991 50 0 IFAARN COc1cc(-c2noc(-c3ccccc3C(=O)N3CCOCC3)n2)cc(OC)c1OC ZINC000002194241 569190838 /nfs/dbraw/zinc/19/08/38/569190838.db2.gz HTXGELJVZHWENQ-UHFFFAOYSA-N 0 0 425.441 2.902 50 0 IFAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2N)c1 ZINC000002193601 569190945 /nfs/dbraw/zinc/19/09/45/569190945.db2.gz AXLCCRGMDHLUGU-UHFFFAOYSA-N 0 0 426.502 2.747 50 0 IFAARN Cn1c2cc(S(=O)(=O)N3CC[C@@H](Oc4cccc5cccnc54)C3)ccc2oc1=O ZINC000252572032 569191139 /nfs/dbraw/zinc/19/11/39/569191139.db2.gz YVAMXIHRBUHMRD-OAHLLOKOSA-N 0 0 425.466 2.522 50 0 IFAARN O=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CO[C@H]2C=CC=C[C@H]2O1 ZINC000252585023 569191183 /nfs/dbraw/zinc/19/11/83/569191183.db2.gz FPKARSCPTNRBHY-KSZLIROESA-N 0 0 437.323 2.993 50 0 IFAARN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 ZINC000252584932 569191200 /nfs/dbraw/zinc/19/12/00/569191200.db2.gz DWKSDJRENMWCDE-IOMROCGXSA-N 0 0 427.545 2.729 50 0 IFAARN CCOCCOc1nc(-c2cccc(OC)c2)n(-c2ccc(NC(=O)COC)cc2)n1 ZINC000037385190 569192360 /nfs/dbraw/zinc/19/23/60/569192360.db2.gz BYVHRVBTWPWFHV-UHFFFAOYSA-N 0 0 426.473 2.943 50 0 IFAARN COc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@@H]2C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)cc1 ZINC000252599168 569193537 /nfs/dbraw/zinc/19/35/37/569193537.db2.gz DGPJSNOMOSRXLR-ISJRUSPKSA-N 0 0 438.867 2.592 50 0 IFAARN CC(C)c1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccccn3)c2=O)cc1 ZINC000037399047 569194313 /nfs/dbraw/zinc/19/43/13/569194313.db2.gz BHVJKMQZDBNVGH-UHFFFAOYSA-N 0 0 428.492 2.987 50 0 IFAARN COCC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C[C@H]1CCCO1 ZINC000037400638 569194949 /nfs/dbraw/zinc/19/49/49/569194949.db2.gz DEMYADTYFASDGC-HXUWFJFHSA-N 0 0 449.525 2.617 50 0 IFAARN COc1cccc(C(=O)/N=c2\sccn2Cc2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000037428542 569196028 /nfs/dbraw/zinc/19/60/28/569196028.db2.gz CSRQXFIDUMCQMP-VHXPQNKSSA-N 0 0 437.521 2.820 50 0 IFAARN COc1cccc(C(=O)/N=c2\scc(C)n2Cc2ccc(C(=O)N3CCOCC3)o2)c1 ZINC000037435433 569196168 /nfs/dbraw/zinc/19/61/68/569196168.db2.gz ZNWLFCLKNJEJIM-FCQUAONHSA-N 0 0 441.509 2.721 50 0 IFAARN C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCCOc1ccccc1 ZINC000037503513 569197871 /nfs/dbraw/zinc/19/78/71/569197871.db2.gz WEFOLVTZWYTPIB-SJCJKPOMSA-N 0 0 448.324 2.643 50 0 IFAARN COc1ccccc1OCC(=O)c1ccc2c(c1)N([C@@H](C)C(=O)N1CCCC1)C(=O)CO2 ZINC000037512273 569198053 /nfs/dbraw/zinc/19/80/53/569198053.db2.gz FHPVTYHINQVTFG-INIZCTEOSA-N 0 0 438.480 2.693 50 0 IFAARN CN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccc(F)cc3F)CC2)CC1 ZINC000037524326 569198544 /nfs/dbraw/zinc/19/85/44/569198544.db2.gz BFNSVMLCPDVQRL-UHFFFAOYSA-N 0 0 442.510 2.751 50 0 IFAARN CCCCNC(=O)N1C[C@@H](C(=O)N2CCN(C(C)=O)CC2)CC[C@@H]1c1ccc(F)cc1 ZINC000037546181 569200101 /nfs/dbraw/zinc/20/01/01/569200101.db2.gz HQABTSSRMNNXSF-PZJWPPBQSA-N 0 0 432.540 2.779 50 0 IFAARN CCn1c(=O)c2c(ncn2Cc2ccc(C(=O)OC)cc2)n(-c2ccccc2Cl)c1=O ZINC000037558495 569200812 /nfs/dbraw/zinc/20/08/12/569200812.db2.gz SUMXGDCFRXNAKL-UHFFFAOYSA-N 0 0 438.871 2.857 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Br)cc3F)C2=O)C1 ZINC000037572697 569201229 /nfs/dbraw/zinc/20/12/29/569201229.db2.gz SPXQQEJCXTYCLU-GXTWGEPZSA-N 0 0 441.297 2.743 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@@H]1c1ccccc1Cl ZINC000002218010 569204006 /nfs/dbraw/zinc/20/40/06/569204006.db2.gz KADHZCPRMDDKGI-GUYCJALGSA-N 0 0 430.888 2.857 50 0 IFAARN CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000252668981 569209848 /nfs/dbraw/zinc/20/98/48/569209848.db2.gz GCHTWIYCYACSIH-RBUKOAKNSA-N 0 0 438.613 2.521 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccsc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252672349 569210135 /nfs/dbraw/zinc/21/01/35/569210135.db2.gz PYOYTJDSQGNANU-LJQANCHMSA-N 0 0 440.546 2.868 50 0 IFAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccccc3F)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252676424 569210349 /nfs/dbraw/zinc/21/03/49/569210349.db2.gz XATLBWUBRVJJAV-FQEVSTJZSA-N 0 0 438.480 2.556 50 0 IFAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000252676112 569210368 /nfs/dbraw/zinc/21/03/68/569210368.db2.gz WAAMUJQNJOUNNF-SFHVURJKSA-N 0 0 428.897 2.963 50 0 IFAARN O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002952360 569212835 /nfs/dbraw/zinc/21/28/35/569212835.db2.gz UENHYRFAEGPFOX-UHFFFAOYSA-N 0 0 440.931 2.862 50 0 IFAARN CCOC(=O)CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000002273191 569217700 /nfs/dbraw/zinc/21/77/00/569217700.db2.gz HKPARWIHRZGWAV-ATVHPVEESA-N 0 0 431.286 2.899 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2-[n+]2ccc(C)cc2)cc1 ZINC000002274431 569217774 /nfs/dbraw/zinc/21/77/74/569217774.db2.gz FYKLPRKNJSPGON-UHFFFAOYSA-O 0 0 434.501 2.974 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2N=NC(=S)N2c2ccccc2)cc1 ZINC000027521286 569218440 /nfs/dbraw/zinc/21/84/40/569218440.db2.gz QWJXJJCJYWULMM-UHFFFAOYSA-N 0 0 445.570 2.517 50 0 IFAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12 ZINC000001146417 569256516 /nfs/dbraw/zinc/25/65/16/569256516.db2.gz MEQUQAJVQWRJRK-HSGJQSDISA-N 0 0 447.443 2.619 50 0 IFAARN O=C(c1ccc(Cl)cc1)N1CCN(C2=C([N+](=O)[O-])CN(C3CCCCC3)C2=O)CC1 ZINC000032106088 569257527 /nfs/dbraw/zinc/25/75/27/569257527.db2.gz NSQKZCRLXQOHSH-UHFFFAOYSA-N 0 0 432.908 2.761 50 0 IFAARN CC(=O)O[C@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OC(C)=O ZINC000048546802 569258187 /nfs/dbraw/zinc/25/81/87/569258187.db2.gz RBWWJLZVOQGLQV-UNBXWCMQSA-N 0 0 442.464 2.906 50 0 IFAARN O=C(CC1=N[C@@H]2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccccn1)c1ccccn1 ZINC000048552670 569258333 /nfs/dbraw/zinc/25/83/33/569258333.db2.gz XEXHAVKGLAJORH-XMMPIXPASA-N 0 0 437.459 2.951 50 0 IFAARN CC(C)[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](C)O)C(=O)OCc1ccccc1 ZINC000100816645 569258698 /nfs/dbraw/zinc/25/86/98/569258698.db2.gz HJNYSZOPKBPHFX-DZFGPLHGSA-N 0 0 442.512 2.546 50 0 IFAARN O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000253403941 569265094 /nfs/dbraw/zinc/26/50/94/569265094.db2.gz QRHIWZHFLVYVJD-FQEVSTJZSA-N 0 0 449.598 2.584 50 0 IFAARN Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1 ZINC000253406553 569265344 /nfs/dbraw/zinc/26/53/44/569265344.db2.gz USCBTZLYXPNBII-UHFFFAOYSA-N 0 0 430.482 2.919 50 0 IFAARN CCC1(C(=O)OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)CCC(O)CC1 ZINC000253428700 569267670 /nfs/dbraw/zinc/26/76/70/569267670.db2.gz KQIPOTKNLVZJRQ-ZGGTZUKQSA-N 0 0 425.547 2.522 50 0 IFAARN Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccc2c(c1)OCO2 ZINC000002291637 569268017 /nfs/dbraw/zinc/26/80/17/569268017.db2.gz ZHBLQLBTDUIMSC-HNNXBMFYSA-N 0 0 445.479 2.853 50 0 IFAARN COCCNC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002306881 569271859 /nfs/dbraw/zinc/27/18/59/569271859.db2.gz MBVHPKPVSRYGTI-UHFFFAOYSA-N 0 0 449.511 2.803 50 0 IFAARN C[C@@H](CNC(=O)c1cncc(Br)c1)NC(=O)c1cncc(Br)c1 ZINC000002311524 569272901 /nfs/dbraw/zinc/27/29/01/569272901.db2.gz GMFQVRMRQWUSHB-VIFPVBQESA-N 0 0 442.111 2.550 50 0 IFAARN CCc1ncnc(O[C@H]2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n[nH]3)C2)c1F ZINC000253471024 569282510 /nfs/dbraw/zinc/28/25/10/569282510.db2.gz AMBOXMPCNHXQIN-ZDUSSCGKSA-N 0 0 425.420 2.590 50 0 IFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)ccc1OC)C(=O)OC ZINC000253483640 569282892 /nfs/dbraw/zinc/28/28/92/569282892.db2.gz YQDYWYLIQHDLLL-CYFNAFFESA-N 0 0 430.505 2.672 50 0 IFAARN COc1ccc(NC(=O)C[C@H]2CS(=O)(=O)C[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000008781399 569290634 /nfs/dbraw/zinc/29/06/34/569290634.db2.gz PJRAYPJPBFRIPC-HOTGVXAUSA-N 0 0 446.525 2.722 50 0 IFAARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000009463641 569296532 /nfs/dbraw/zinc/29/65/32/569296532.db2.gz RODNHFUIRXROIK-VAWYXSNFSA-N 0 0 428.510 2.556 50 0 IFAARN COc1ccccc1/C=C/C(=O)OCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000009634658 569297451 /nfs/dbraw/zinc/29/74/51/569297451.db2.gz ZDBRJUZGKSCQNP-VOTSOKGWSA-N 0 0 446.257 2.822 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCCc3ccccc32)cc1OC ZINC000011859859 569303106 /nfs/dbraw/zinc/30/31/06/569303106.db2.gz UJGFMRZVYYPYIA-IBGZPJMESA-N 0 0 430.526 2.836 50 0 IFAARN CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012658148 569304705 /nfs/dbraw/zinc/30/47/05/569304705.db2.gz OTLJDTMBQKLRPK-BQMVGXAQSA-N 0 0 448.556 2.715 50 0 IFAARN CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F ZINC000055341214 569305120 /nfs/dbraw/zinc/30/51/20/569305120.db2.gz BVEZTHXNZSSIEE-HXUWFJFHSA-N 0 0 444.457 2.934 50 0 IFAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012986164 569305835 /nfs/dbraw/zinc/30/58/35/569305835.db2.gz SUBBRYZUKZIVBM-UHFFFAOYSA-N 0 0 449.920 2.668 50 0 IFAARN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)COC(=O)COc1cccc(C)c1 ZINC000013028856 569307333 /nfs/dbraw/zinc/30/73/33/569307333.db2.gz GYGUTFXEUZLAQS-UHFFFAOYSA-N 0 0 437.452 2.918 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000013030356 569307483 /nfs/dbraw/zinc/30/74/83/569307483.db2.gz BZMXZMMZMIROLI-UHFFFAOYSA-N 0 0 443.903 2.872 50 0 IFAARN C[C@H](N[C@@H](C)c1ccccc1Br)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013037956 569307581 /nfs/dbraw/zinc/30/75/81/569307581.db2.gz FGYPYMKTRLRAIB-RYUDHWBXSA-N 0 0 426.336 2.774 50 0 IFAARN O=C(Cn1nc(-c2ccccc2)c2sc(N3CCOCC3)nc2c1=O)Nc1ccccc1 ZINC000013037118 569307635 /nfs/dbraw/zinc/30/76/35/569307635.db2.gz OKJXGGHKLIECJE-UHFFFAOYSA-N 0 0 447.520 2.995 50 0 IFAARN CCc1ccc([C@H](C)NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000013038342 569307692 /nfs/dbraw/zinc/30/76/92/569307692.db2.gz SMYXQWFSCSUDFY-KRWDZBQOSA-N 0 0 433.549 2.572 50 0 IFAARN CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C ZINC000013038753 569307852 /nfs/dbraw/zinc/30/78/52/569307852.db2.gz GUHAMDHOSREEMO-UHFFFAOYSA-N 0 0 432.546 2.973 50 0 IFAARN CCN(C(=O)Cc1cccc(C(F)(F)F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013040426 569308054 /nfs/dbraw/zinc/30/80/54/569308054.db2.gz YPKLELPILRESQX-UHFFFAOYSA-N 0 0 446.429 2.782 50 0 IFAARN COc1cc(C(=O)OCC(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000013063300 569308642 /nfs/dbraw/zinc/30/86/42/569308642.db2.gz IMJLJKYZXGQPAW-UHFFFAOYSA-N 0 0 432.448 2.781 50 0 IFAARN Cc1ccccc1-n1cnn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1=S ZINC000013063580 569308767 /nfs/dbraw/zinc/30/87/67/569308767.db2.gz UKVRRRNSGMJLNC-UHFFFAOYSA-N 0 0 429.571 2.676 50 0 IFAARN Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000013070891 569309004 /nfs/dbraw/zinc/30/90/04/569309004.db2.gz DUZVMDRKRPGOIG-UHFFFAOYSA-N 0 0 442.459 2.926 50 0 IFAARN COc1ccc(CCNC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000013100638 569310007 /nfs/dbraw/zinc/31/00/07/569310007.db2.gz RWFMAUIQOVSISW-UHFFFAOYSA-N 0 0 439.295 2.634 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000013149540 569312274 /nfs/dbraw/zinc/31/22/74/569312274.db2.gz AOAPFLKGROGWCW-UHFFFAOYSA-N 0 0 448.516 2.782 50 0 IFAARN Cc1cccc(N(Cc2ccccc2)C(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c1 ZINC000013163915 569312397 /nfs/dbraw/zinc/31/23/97/569312397.db2.gz BCWVMSQSLUHBNK-UHFFFAOYSA-N 0 0 426.480 2.981 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)OC(C)(C)C)ccc2Cl)C[C@@H](C)O1 ZINC000013287705 569312730 /nfs/dbraw/zinc/31/27/30/569312730.db2.gz FVPCFEVTAHXZMH-CHWSQXEVSA-N 0 0 447.937 2.636 50 0 IFAARN O=C(NCc1cscn1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000013354183 569313447 /nfs/dbraw/zinc/31/34/47/569313447.db2.gz HHXQUZXXPYQPLH-UHFFFAOYSA-N 0 0 444.376 2.623 50 0 IFAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)Nc4cc(C)on4)C3)n2)cc1OC ZINC000013367162 569314389 /nfs/dbraw/zinc/31/43/89/569314389.db2.gz VFTBRCDWOSYCBL-HNNXBMFYSA-N 0 0 427.461 2.901 50 0 IFAARN Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(Cl)cc2)ccc1F ZINC000013371833 569315026 /nfs/dbraw/zinc/31/50/26/569315026.db2.gz FGRZWUYTMLCDIO-ROUUACIJSA-N 0 0 431.938 2.517 50 0 IFAARN CC(C)NC(=O)c1ccc(NC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000078648341 569316680 /nfs/dbraw/zinc/31/66/80/569316680.db2.gz WVAZKBJHLSVROF-UHFFFAOYSA-N 0 0 447.580 2.889 50 0 IFAARN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000328593659 569317415 /nfs/dbraw/zinc/31/74/15/569317415.db2.gz UMMMWLOSNDEGNI-UHFFFAOYSA-N 0 0 431.537 2.999 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000019314764 569318131 /nfs/dbraw/zinc/31/81/31/569318131.db2.gz WQQAMRLLVDKJCR-UHFFFAOYSA-N 0 0 434.481 2.612 50 0 IFAARN CCCC12CN3CC(C)(CN(C1)C31c3cc(Br)ccc3N(CC)C1=O)C2=O ZINC000019320064 569318283 /nfs/dbraw/zinc/31/82/83/569318283.db2.gz WDNOMYWMAVWHET-UHFFFAOYSA-N 0 0 432.362 2.975 50 0 IFAARN O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cn2cc(Br)cn2)o1 ZINC000078820790 569319286 /nfs/dbraw/zinc/31/92/86/569319286.db2.gz GMFNQKTXYFVWIC-AWEZNQCLSA-N 0 0 436.287 2.545 50 0 IFAARN COC(=O)c1ccsc1N1CC[C@@H](N2CCC(NC(=O)c3ccccc3C)CC2)C1=O ZINC000078953921 569320449 /nfs/dbraw/zinc/32/04/49/569320449.db2.gz WUVPQEBRXBSXGW-LJQANCHMSA-N 0 0 441.553 2.843 50 0 IFAARN COc1ccc(CN(CC(=O)NCCc2ccc(F)cc2)c2cnn(C)c2)c(OC)c1 ZINC000078970074 569320984 /nfs/dbraw/zinc/32/09/84/569320984.db2.gz HNPSIDRGRDBZCR-UHFFFAOYSA-N 0 0 426.492 2.942 50 0 IFAARN CCC(CC)[C@@H](CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCOCC1 ZINC000079051536 569323339 /nfs/dbraw/zinc/32/33/39/569323339.db2.gz ISYUKOAQSKVSSN-GOSISDBHSA-N 0 0 432.533 2.691 50 0 IFAARN CCCNC(=O)CN(CCC)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000079069796 569324557 /nfs/dbraw/zinc/32/45/57/569324557.db2.gz SBQPZINXZICEES-AWEZNQCLSA-N 0 0 447.395 2.624 50 0 IFAARN COc1ccc(C[C@H](CO)CNC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1O ZINC000079076275 569324676 /nfs/dbraw/zinc/32/46/76/569324676.db2.gz WTHCCQFLARPOFU-AEFFLSMTSA-N 0 0 442.556 2.784 50 0 IFAARN CN1CCN(C(=O)CSc2ccc(C(F)(F)F)cn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000079074169 569324721 /nfs/dbraw/zinc/32/47/21/569324721.db2.gz DMJRPWDKBCNFOF-AWEZNQCLSA-N 0 0 448.511 2.860 50 0 IFAARN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000079096932 569325386 /nfs/dbraw/zinc/32/53/86/569325386.db2.gz QVHADFREIULRHE-MSOLQXFVSA-N 0 0 433.553 2.964 50 0 IFAARN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000079096908 569325421 /nfs/dbraw/zinc/32/54/21/569325421.db2.gz QVHADFREIULRHE-ZWKOTPCHSA-N 0 0 433.553 2.964 50 0 IFAARN COC(=O)[C@@H](NC(=O)CC[C@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)(C)C)C(C)(C)C ZINC000079104598 569325720 /nfs/dbraw/zinc/32/57/20/569325720.db2.gz LWHBZPRVAZXJPG-KBAYOESNSA-N 0 0 442.597 2.837 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2sc3nc4c(cc3c2N)CN(CC)CC4)CC1 ZINC000019853410 569330449 /nfs/dbraw/zinc/33/04/49/569330449.db2.gz SDXRCFVFDWICLX-UHFFFAOYSA-N 0 0 431.562 2.607 50 0 IFAARN COc1ccc(C2(CNC(=O)CCNc3nc(Cl)nc4nc[nH]c43)CCOCC2)cc1 ZINC000079481179 569330857 /nfs/dbraw/zinc/33/08/57/569330857.db2.gz RUKBNYWKVMNOBJ-UHFFFAOYSA-N 0 0 444.923 2.682 50 0 IFAARN Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)Nc2cccc(-c3nnn(C)n3)c2)n1 ZINC000079501783 569331551 /nfs/dbraw/zinc/33/15/51/569331551.db2.gz GGGALOKAGXHHEP-HXUWFJFHSA-N 0 0 428.500 2.946 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C)cc1 ZINC000020033365 569332585 /nfs/dbraw/zinc/33/25/85/569332585.db2.gz ZMPRNGMTHUGQEM-CQSZACIVSA-N 0 0 426.469 2.965 50 0 IFAARN CCCCN1c2ccc(Br)cc2[C@]2(SC(NC(C)=O)=NN2C(C)=O)C1=O ZINC000020069258 569333074 /nfs/dbraw/zinc/33/30/74/569333074.db2.gz PXUIMFULHWQMDS-KRWDZBQOSA-N 0 0 439.335 2.751 50 0 IFAARN CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)NCCOC)cc1 ZINC000020069154 569333092 /nfs/dbraw/zinc/33/30/92/569333092.db2.gz QQOHRMSEXPYEHP-MOPGFXCFSA-N 0 0 439.541 2.866 50 0 IFAARN O=C(CSc1nc2ccccc2nc1N1CCOCC1)NCc1ccc2c(c1)OCO2 ZINC000020069416 569333309 /nfs/dbraw/zinc/33/33/09/569333309.db2.gz IQDXZZFTLLBOPK-UHFFFAOYSA-N 0 0 438.509 2.604 50 0 IFAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(C)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104396 569334072 /nfs/dbraw/zinc/33/40/72/569334072.db2.gz LGYXRJGYTPHVFD-UPVQGACJSA-N 0 0 437.540 2.962 50 0 IFAARN CN(Cc1ccccc1)C(=O)CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000020103524 569334180 /nfs/dbraw/zinc/33/41/80/569334180.db2.gz JUUIVLZLKVHDLA-UHFFFAOYSA-N 0 0 438.553 2.502 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(C)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000020114229 569334847 /nfs/dbraw/zinc/33/48/47/569334847.db2.gz BIUZVXGBENPFAA-FGZHOGPDSA-N 0 0 441.503 2.527 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@@](O)(c3ccoc3)c3ccco3)n(C)n2)c1 ZINC000390827023 569353830 /nfs/dbraw/zinc/35/38/30/569353830.db2.gz SIBPIOXXWLIWCU-HSZRJFAPSA-N 0 0 437.452 2.956 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4nc(-c5ccccn5)cs4)C3)ncn2)n1 ZINC000390827276 569353952 /nfs/dbraw/zinc/35/39/52/569353952.db2.gz VTHFIDNFAIEPDZ-UHFFFAOYSA-N 0 0 432.513 2.873 50 0 IFAARN Cc1nnc2c(N3CCC(NC(=O)Cc4ccccc4Br)CC3)nccn12 ZINC000390828653 569354042 /nfs/dbraw/zinc/35/40/42/569354042.db2.gz BNEOFDYVBZYZDA-UHFFFAOYSA-N 0 0 429.322 2.523 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)C1 ZINC000390831627 569354412 /nfs/dbraw/zinc/35/44/12/569354412.db2.gz SYLXAAXEVZEXFY-CQSZACIVSA-N 0 0 447.561 2.664 50 0 IFAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(C(C)C)cc1 ZINC000020322925 569360377 /nfs/dbraw/zinc/36/03/77/569360377.db2.gz ZGKAFQKWGAOGIQ-FQEVSTJZSA-N 0 0 448.589 2.651 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 ZINC000020328293 569360600 /nfs/dbraw/zinc/36/06/00/569360600.db2.gz OXONHZFZETWDDX-GOSISDBHSA-N 0 0 436.436 2.610 50 0 IFAARN CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)N=C1SCC(=O)NCc1ccco1 ZINC000020352828 569361039 /nfs/dbraw/zinc/36/10/39/569361039.db2.gz UOZDIZUOHWKNJW-MHWRWJLKSA-N 0 0 429.498 2.905 50 0 IFAARN Cc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000095348546 569361450 /nfs/dbraw/zinc/36/14/50/569361450.db2.gz YBALNJWGUVRBOI-UHFFFAOYSA-N 0 0 435.524 2.922 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000095348805 569361678 /nfs/dbraw/zinc/36/16/78/569361678.db2.gz YMNUHJAJMNGMCO-SFHVURJKSA-N 0 0 438.546 2.814 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000095348806 569361683 /nfs/dbraw/zinc/36/16/83/569361683.db2.gz YMNUHJAJMNGMCO-GOSISDBHSA-N 0 0 438.546 2.814 50 0 IFAARN C[C@H](C(=O)N1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000095350727 569361998 /nfs/dbraw/zinc/36/19/98/569361998.db2.gz LFLSYUKXQBIIMB-CQSZACIVSA-N 0 0 439.990 2.686 50 0 IFAARN NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1 ZINC000095373567 569362886 /nfs/dbraw/zinc/36/28/86/569362886.db2.gz XZNCJTBBUSIQRW-FQEVSTJZSA-N 0 0 441.894 2.649 50 0 IFAARN CCc1nn(CC(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2cc3sccc3n21 ZINC000020384107 569362898 /nfs/dbraw/zinc/36/28/98/569362898.db2.gz FVIFHHYOZFTYII-UHFFFAOYSA-N 0 0 435.553 2.618 50 0 IFAARN O=C(C1CCC(Cn2nnc3ccccc3c2=O)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000020412050 569364177 /nfs/dbraw/zinc/36/41/77/569364177.db2.gz ZZICPWHSWMHUCI-UHFFFAOYSA-N 0 0 445.567 2.942 50 0 IFAARN COc1ccc(-c2noc(N(C)CC(=O)Nc3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000020414509 569364307 /nfs/dbraw/zinc/36/43/07/569364307.db2.gz ZRYITTRDQYYHCB-UHFFFAOYSA-N 0 0 428.445 2.846 50 0 IFAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC1(O)CCS(=O)(=O)CC1)CC2 ZINC000095427128 569366024 /nfs/dbraw/zinc/36/60/24/569366024.db2.gz HHCRFNOZYLBUHQ-HXUWFJFHSA-N 0 0 437.583 2.653 50 0 IFAARN CC(C)C(=O)NC[C@H]1CCCN(C(=O)C[S@@](=O)Cc2ccc(Br)cc2)C1 ZINC000095435219 569366511 /nfs/dbraw/zinc/36/65/11/569366511.db2.gz UOTIAQRGCTWGER-AKJBCIBTSA-N 0 0 443.407 2.709 50 0 IFAARN Cc1cnc2c(c1)N(C(=O)CN1C(=O)N[C@@](C)(c3ccc4ccccc4c3)C1=O)CCO2 ZINC000095445554 569367274 /nfs/dbraw/zinc/36/72/74/569367274.db2.gz MRWJTVXIOWYHME-DEOSSOPVSA-N 0 0 430.464 2.736 50 0 IFAARN COC(=O)CC[C@H](Cc1ccccc1)NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000095450701 569367769 /nfs/dbraw/zinc/36/77/69/569367769.db2.gz XFFZFBNBVQFRML-LJQANCHMSA-N 0 0 447.553 2.930 50 0 IFAARN CC(C)(C)S(=O)(=O)CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000095453235 569368057 /nfs/dbraw/zinc/36/80/57/569368057.db2.gz XHZMHSCRLFQPRG-UHFFFAOYSA-N 0 0 427.876 2.616 50 0 IFAARN O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000095456440 569368861 /nfs/dbraw/zinc/36/88/61/569368861.db2.gz WATFFVFYPJIFJR-RUZDIDTESA-N 0 0 430.552 2.912 50 0 IFAARN O=C(CN1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1)Nc1nncs1 ZINC000095456939 569368962 /nfs/dbraw/zinc/36/89/62/569368962.db2.gz WZTVZFITMBXQCN-UHFFFAOYSA-N 0 0 431.525 2.909 50 0 IFAARN O=C([C@@H]1CC12CCN(C(=O)[C@@H]1CC(=O)N(c3ccccc3F)C1)CC2)N1CCCCC1 ZINC000095457946 569369053 /nfs/dbraw/zinc/36/90/53/569369053.db2.gz HWSGFJILDTUHAT-MSOLQXFVSA-N 0 0 427.520 2.820 50 0 IFAARN COc1cc2ncn(CCCC(=O)OCc3ncn(-c4ccccc4)n3)c(=O)c2cc1OC ZINC000095457960 569369055 /nfs/dbraw/zinc/36/90/55/569369055.db2.gz YJYNFBBTGABWJQ-UHFFFAOYSA-N 0 0 449.467 2.518 50 0 IFAARN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000095461124 569369703 /nfs/dbraw/zinc/36/97/03/569369703.db2.gz INZOQPAVQZAMHW-UHFFFAOYSA-N 0 0 439.497 2.765 50 0 IFAARN CC(C)(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000095461969 569369981 /nfs/dbraw/zinc/36/99/81/569369981.db2.gz OKCQQZQQPMZHRY-IBGZPJMESA-N 0 0 425.572 2.861 50 0 IFAARN CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000095469685 569371542 /nfs/dbraw/zinc/37/15/42/569371542.db2.gz GFWWQCCDGSGJFO-NSHDSACASA-N 0 0 437.260 2.515 50 0 IFAARN Cc1ccc(Cl)c(NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c1Cl ZINC000095469787 569371706 /nfs/dbraw/zinc/37/17/06/569371706.db2.gz SCXGGKONEYKQLS-UHFFFAOYSA-N 0 0 427.376 2.870 50 0 IFAARN CCN(CCNC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)cc1 ZINC000095471654 569372050 /nfs/dbraw/zinc/37/20/50/569372050.db2.gz UJHQYOREPWWGBF-OAQYLSRUSA-N 0 0 431.558 2.555 50 0 IFAARN CSCC[C@H](NC(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1)c1nnc2ccccn21 ZINC000095474041 569372506 /nfs/dbraw/zinc/37/25/06/569372506.db2.gz FIROJLYMDIRMDX-ROUUACIJSA-N 0 0 439.589 2.963 50 0 IFAARN COc1cc(OC)c([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)cc1OC ZINC000095474291 569372600 /nfs/dbraw/zinc/37/26/00/569372600.db2.gz GGVFJOIPBZWNQC-GOSISDBHSA-N 0 0 435.502 2.978 50 0 IFAARN COc1ccc(CNC(=O)Cn2cc(OC)c(=O)cc2CN2CCc3ccccc3C2)cc1 ZINC000095476248 569372845 /nfs/dbraw/zinc/37/28/45/569372845.db2.gz DILVBSMXLPVHGM-UHFFFAOYSA-N 0 0 447.535 2.740 50 0 IFAARN C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1ccncc1 ZINC000095482703 569374450 /nfs/dbraw/zinc/37/44/50/569374450.db2.gz KDHYIVMGJNTFGQ-CQSZACIVSA-N 0 0 436.343 2.925 50 0 IFAARN Cn1c(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)nnc1-c1ccccc1 ZINC000095943985 569375663 /nfs/dbraw/zinc/37/56/63/569375663.db2.gz SSSUCGLSLCKQFV-LJQANCHMSA-N 0 0 435.503 2.832 50 0 IFAARN O=C(CN1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1)NCc1ccccc1 ZINC000095947111 569376200 /nfs/dbraw/zinc/37/62/00/569376200.db2.gz NOURRZYPDGMCSE-UHFFFAOYSA-N 0 0 435.355 2.866 50 0 IFAARN C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000095958135 569376955 /nfs/dbraw/zinc/37/69/55/569376955.db2.gz IBHGKFRHVYRGRT-LLVKDONJSA-N 0 0 449.385 2.783 50 0 IFAARN CCOC(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)C1 ZINC000095966975 569377329 /nfs/dbraw/zinc/37/73/29/569377329.db2.gz DAQFZFVIPLOPEJ-HUUCEWRRSA-N 0 0 435.498 2.724 50 0 IFAARN CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000095976773 569377606 /nfs/dbraw/zinc/37/76/06/569377606.db2.gz QOMGLHGUYZOJMY-MSOLQXFVSA-N 0 0 426.560 2.533 50 0 IFAARN CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000095976774 569377665 /nfs/dbraw/zinc/37/76/65/569377665.db2.gz QOMGLHGUYZOJMY-ROUUACIJSA-N 0 0 426.560 2.533 50 0 IFAARN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000095986331 569378010 /nfs/dbraw/zinc/37/80/10/569378010.db2.gz RGYJPYRSICOOBP-UHFFFAOYSA-N 0 0 426.860 2.885 50 0 IFAARN CC(=O)NCCN(C(=O)c1ccn(-c2cccc(Cl)c2)n1)[C@@H](C)C(=O)OC(C)(C)C ZINC000096004667 569379374 /nfs/dbraw/zinc/37/93/74/569379374.db2.gz KQWDFFDOAKYWFO-AWEZNQCLSA-N 0 0 434.924 2.834 50 0 IFAARN COc1ccc(NC(=O)N2C[C@H]3C[C@@H]2[C@@H](NS(=O)(=O)c2cccs2)C3)c(OC)c1 ZINC000096095762 569381123 /nfs/dbraw/zinc/38/11/23/569381123.db2.gz YFWMTDJJZMICBO-UHOFOFEASA-N 0 0 437.543 2.739 50 0 IFAARN O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)C1(c2ccccc2)CCOCC1 ZINC000096096650 569381144 /nfs/dbraw/zinc/38/11/44/569381144.db2.gz FBHFUBKQECXTHS-UHFFFAOYSA-N 0 0 438.553 2.973 50 0 IFAARN COc1cc(C(=O)NCCn2nc(-c3cccs3)n(C3CC3)c2=O)cc(OC)c1OC ZINC000096096627 569381178 /nfs/dbraw/zinc/38/11/78/569381178.db2.gz SAGZIZDKUYGGSI-UHFFFAOYSA-N 0 0 444.513 2.564 50 0 IFAARN Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000096098366 569381573 /nfs/dbraw/zinc/38/15/73/569381573.db2.gz DLVRMGDDERHUET-YWZLYKJASA-N 0 0 440.587 2.672 50 0 IFAARN COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000096099635 569381632 /nfs/dbraw/zinc/38/16/32/569381632.db2.gz CHVUHOYIWOOMIY-UHFFFAOYSA-N 0 0 429.947 2.976 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 ZINC000096103634 569382008 /nfs/dbraw/zinc/38/20/08/569382008.db2.gz CQTAAUFMSPKNFZ-UHFFFAOYSA-N 0 0 429.498 2.960 50 0 IFAARN O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 ZINC000096105274 569382209 /nfs/dbraw/zinc/38/22/09/569382209.db2.gz JBNSHQZYZHHHQQ-GFCCVEGCSA-N 0 0 446.284 2.814 50 0 IFAARN COc1ccccc1CC(=O)N1CCC2(CC1)NC(=O)N(Cc1cc(C)ccc1C)C2=O ZINC000096105370 569382325 /nfs/dbraw/zinc/38/23/25/569382325.db2.gz BWPVPFDTVIPJEB-UHFFFAOYSA-N 0 0 435.524 2.968 50 0 IFAARN O=C(COc1ccc(F)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000096105505 569382395 /nfs/dbraw/zinc/38/23/95/569382395.db2.gz RJDAICHBKFWTLN-UHFFFAOYSA-N 0 0 445.878 2.971 50 0 IFAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1F ZINC000096105394 569382450 /nfs/dbraw/zinc/38/24/50/569382450.db2.gz QQISHLBKJYAUOJ-UHFFFAOYSA-N 0 0 429.423 2.700 50 0 IFAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)c4nn(C)c5ccccc54)CC3)C2=O)c1 ZINC000096105589 569382626 /nfs/dbraw/zinc/38/26/26/569382626.db2.gz ZKANGIXQNMJFLJ-UHFFFAOYSA-N 0 0 445.523 2.917 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3cccc4c3ccn4C)C2=O)cc1OC ZINC000096114667 569382872 /nfs/dbraw/zinc/38/28/72/569382872.db2.gz ZUWJEYUMBUGFCT-KRWDZBQOSA-N 0 0 436.468 2.645 50 0 IFAARN CC(C)c1nc2ccccc2n1CCNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000096116469 569383784 /nfs/dbraw/zinc/38/37/84/569383784.db2.gz VHQYZBCEFIKJEI-IBGZPJMESA-N 0 0 433.512 2.807 50 0 IFAARN O=C(/C=C\c1cc(Br)ccc1F)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000096117689 569384306 /nfs/dbraw/zinc/38/43/06/569384306.db2.gz ZODJDBGZSFWDOU-RJRFIUFISA-N 0 0 425.298 2.699 50 0 IFAARN CSCC[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1nnc2ccccn21 ZINC000096118353 569384412 /nfs/dbraw/zinc/38/44/12/569384412.db2.gz KLVHARQYJQNEIV-KRWDZBQOSA-N 0 0 436.541 2.899 50 0 IFAARN COc1ccc2[nH]c(=O)c([C@@H]3SCC(=O)Nc4c3c(=O)[nH]n4C3CCOCC3)cc2c1 ZINC000096118094 569384487 /nfs/dbraw/zinc/38/44/87/569384487.db2.gz GVGHGSHMCIZLLA-SFHVURJKSA-N 0 0 442.497 2.565 50 0 IFAARN C/C=C\c1ccc(OC[C@H](O)Cn2cnc3cc(OC)c(OC)cc3c2=O)c(OC)c1 ZINC000096129836 569385738 /nfs/dbraw/zinc/38/57/38/569385738.db2.gz HRCWOYBVCDNWJV-OGZRUICASA-N 0 0 426.469 2.895 50 0 IFAARN COc1cc([C@@H]2CN(C(=O)C(C)C)C[C@@H]2C(=O)NCc2ccccn2)cc(OC)c1OC ZINC000096211402 569386795 /nfs/dbraw/zinc/38/67/95/569386795.db2.gz AOKDKYOGEIXDDQ-OALUTQOASA-N 0 0 441.528 2.622 50 0 IFAARN O=C(CN1c2cccnc2Sc2ccccc2C1=O)N1CCN(Cc2cccnc2)CC1 ZINC000096223350 569387369 /nfs/dbraw/zinc/38/73/69/569387369.db2.gz SDQIMWANQHPGGR-UHFFFAOYSA-N 0 0 445.548 2.932 50 0 IFAARN COc1ccc(N2CCC[C@H](C(=O)N3CCN(Cc4ccccc4Cl)CC3)C2)nn1 ZINC000096231318 569387472 /nfs/dbraw/zinc/38/74/72/569387472.db2.gz HETYNULRGYRKJF-SFHVURJKSA-N 0 0 429.952 2.699 50 0 IFAARN O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)[C@@H]1CC(=O)N(Cc2ccccc2F)C1 ZINC000096232261 569387746 /nfs/dbraw/zinc/38/77/46/569387746.db2.gz FFDDQGNEFJOWNN-QGZVFWFLSA-N 0 0 445.516 2.743 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(CCNC(=O)C[C@H]2Oc3ccccc3NC2=O)CC1 ZINC000096286631 569390184 /nfs/dbraw/zinc/39/01/84/569390184.db2.gz ZJRRSOQWFGKNFW-OAQYLSRUSA-N 0 0 442.947 2.676 50 0 IFAARN CCN1C2=C(C(=O)N(C(C)(C)C(=O)NCc3cccnc3)C2)[C@@H](c2ccc(C)cc2)NC1=O ZINC000096291293 569391093 /nfs/dbraw/zinc/39/10/93/569391093.db2.gz LQXZMVYGVRLXBG-OAQYLSRUSA-N 0 0 447.539 2.668 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1c2sc(=O)[nH]c2SC[C@@]1(C)C(N)=O ZINC000096306077 569392170 /nfs/dbraw/zinc/39/21/70/569392170.db2.gz JBIZMGMZXRGJME-ZUOKHONESA-N 0 0 444.538 2.528 50 0 IFAARN COC(=O)COc1ccc(NC(=O)[C@@H](C)NC(=O)/C=C\c2ccc(OC)cc2)c(C)c1 ZINC000096309053 569392296 /nfs/dbraw/zinc/39/22/96/569392296.db2.gz YQHXDAFYTBWXNT-JQPKSGMCSA-N 0 0 426.469 2.712 50 0 IFAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2CC(=O)NCc1cccnc1 ZINC000096318103 569393724 /nfs/dbraw/zinc/39/37/24/569393724.db2.gz GEJXKYUDDDVXRJ-UHFFFAOYSA-N 0 0 428.492 2.789 50 0 IFAARN CCOc1ccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)NCc3ccccn3)c2=O)cc1 ZINC000096318209 569393798 /nfs/dbraw/zinc/39/37/98/569393798.db2.gz OHBPDXZAMJQONS-UHFFFAOYSA-N 0 0 444.491 2.571 50 0 IFAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)N=c2[nH]c3ccccc3[nH]2)c1C ZINC000096319665 569393916 /nfs/dbraw/zinc/39/39/16/569393916.db2.gz JPRAXMAKIDQQIQ-UHFFFAOYSA-N 0 0 441.495 2.756 50 0 IFAARN CCCn1c2ccc(-c3noc([C@H]4CC(=O)N(c5ccccc5)C4)n3)cc2[nH]c(=O)c1=O ZINC000096321518 569394093 /nfs/dbraw/zinc/39/40/93/569394093.db2.gz CJVNAPNTMSLNBL-HNNXBMFYSA-N 0 0 431.452 2.670 50 0 IFAARN CCn1c2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)cc2[nH]c(=O)c1=O ZINC000096320609 569394098 /nfs/dbraw/zinc/39/40/98/569394098.db2.gz PIHOSNGAIKTTJI-INIZCTEOSA-N 0 0 445.479 2.897 50 0 IFAARN Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)o2)n[nH]1 ZINC000096322184 569394473 /nfs/dbraw/zinc/39/44/73/569394473.db2.gz AHFMXGJVZAGDAT-UHFFFAOYSA-N 0 0 428.514 2.695 50 0 IFAARN O=C(Cn1nc2c3cc(-c4ccccc4)nn3ccn2c1=O)NCc1ccc(Cl)cc1 ZINC000096322479 569394689 /nfs/dbraw/zinc/39/46/89/569394689.db2.gz IXCGKJNJWRYMPD-UHFFFAOYSA-N 0 0 432.871 2.781 50 0 IFAARN O=C(Cn1nc2c3cc(-c4ccc(Cl)cc4)nn3ccn2c1=O)NCCc1ccccc1 ZINC000096322527 569394724 /nfs/dbraw/zinc/39/47/24/569394724.db2.gz CMTVPWGDIJROCD-UHFFFAOYSA-N 0 0 446.898 2.823 50 0 IFAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1C ZINC000096323359 569395233 /nfs/dbraw/zinc/39/52/33/569395233.db2.gz XMQAFXQWURUAKJ-UHFFFAOYSA-N 0 0 444.479 2.685 50 0 IFAARN COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)NCCC(C)C ZINC000096324016 569395607 /nfs/dbraw/zinc/39/56/07/569395607.db2.gz KFBOKFSWODFZLY-UHFFFAOYSA-N 0 0 446.529 2.837 50 0 IFAARN Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)ccc1=O ZINC000096324007 569395628 /nfs/dbraw/zinc/39/56/28/569395628.db2.gz QRACSPZZGOIGAZ-UHFFFAOYSA-N 0 0 428.514 2.987 50 0 IFAARN O=C(c1cccc(Br)c1)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000096324218 569395729 /nfs/dbraw/zinc/39/57/29/569395729.db2.gz ZDZASIZLQUNWTI-UHFFFAOYSA-N 0 0 439.313 2.957 50 0 IFAARN O=C(c1cc(-c2ccncc2)n[nH]1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000096324847 569396199 /nfs/dbraw/zinc/39/61/99/569396199.db2.gz QBRVJHXKIHJWMX-UHFFFAOYSA-N 0 0 440.301 2.832 50 0 IFAARN COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)ccc(F)c4c(=O)c3C2)cc1OC ZINC000096326927 569396280 /nfs/dbraw/zinc/39/62/80/569396280.db2.gz ROXCJPIGJMSJLC-UHFFFAOYSA-N 0 0 425.460 2.990 50 0 IFAARN CCn1c(=O)c(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nc2cccnc21 ZINC000096332976 569396542 /nfs/dbraw/zinc/39/65/42/569396542.db2.gz AHHKOFAKDWOYNX-UHFFFAOYSA-N 0 0 442.317 2.536 50 0 IFAARN O=C(Cn1nc2c(cc1=O)CCCCC2)NCCn1c2ccccc2nc1C(F)(F)F ZINC000096345158 569397027 /nfs/dbraw/zinc/39/70/27/569397027.db2.gz LSLXXYGJKPGSBP-UHFFFAOYSA-N 0 0 433.434 2.697 50 0 IFAARN COc1cc(NC(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc(OC)c1OC ZINC000096375068 569398213 /nfs/dbraw/zinc/39/82/13/569398213.db2.gz HZDOMQGAHCXSIG-UHFFFAOYSA-N 0 0 438.502 2.917 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1OC ZINC000096385785 569398281 /nfs/dbraw/zinc/39/82/81/569398281.db2.gz VXJRAEMUFPUCQG-UHFFFAOYSA-N 0 0 436.443 2.660 50 0 IFAARN O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)c1cccnc1Cl ZINC000096386075 569398305 /nfs/dbraw/zinc/39/83/05/569398305.db2.gz FLOVPOQHEKKKKN-UHFFFAOYSA-N 0 0 425.851 2.864 50 0 IFAARN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(c4cnc5nccnc5c4)C3)CC2)c1 ZINC000096387224 569398854 /nfs/dbraw/zinc/39/88/54/569398854.db2.gz PJDQKWNZTCGWSP-GOSISDBHSA-N 0 0 432.528 2.599 50 0 IFAARN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000096396182 569399020 /nfs/dbraw/zinc/39/90/20/569399020.db2.gz YTIZTRPPRAXCBV-INIZCTEOSA-N 0 0 425.304 2.542 50 0 IFAARN COc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)cc1 ZINC000096397091 569399331 /nfs/dbraw/zinc/39/93/31/569399331.db2.gz RDUIFUXAAVULLD-UHFFFAOYSA-N 0 0 428.489 2.876 50 0 IFAARN Cc1ccc(N2CCN(C(=O)Cc3n[nH]c(=O)c4cc(-c5ccc(F)cc5)nn43)CC2)cc1 ZINC000096397990 569399536 /nfs/dbraw/zinc/39/95/36/569399536.db2.gz XWLQPRQPYAKRIJ-UHFFFAOYSA-N 0 0 446.486 2.836 50 0 IFAARN CCOC(=O)C1CCN(C(=O)Cn2nc(C)c3sc(-c4ccccc4)nc3c2=O)CC1 ZINC000096400162 569400389 /nfs/dbraw/zinc/40/03/89/569400389.db2.gz ASRXEZIKGLIGGL-UHFFFAOYSA-N 0 0 440.525 2.630 50 0 IFAARN COc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)cc1 ZINC000096564802 569401315 /nfs/dbraw/zinc/40/13/15/569401315.db2.gz DGPJSNOMOSRXLR-FZONSQQESA-N 0 0 438.867 2.592 50 0 IFAARN COc1cc([C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc(OC)c1OC ZINC000670416172 569403116 /nfs/dbraw/zinc/40/31/16/569403116.db2.gz VJYACQPNCKGJQP-CQSZACIVSA-N 0 0 428.489 2.918 50 0 IFAARN COc1ccccc1CCC(=O)N1CCCN([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097161349 569403282 /nfs/dbraw/zinc/40/32/82/569403282.db2.gz VVOATMITRPXKNN-QHCPKHFHSA-N 0 0 435.568 2.963 50 0 IFAARN O=C(c1cc(-c2cccnc2)on1)N1CCC(Cc2n[nH]c(=O)n2-c2cccs2)CC1 ZINC000225546261 569404203 /nfs/dbraw/zinc/40/42/03/569404203.db2.gz BXMDSSFDCZSVAD-UHFFFAOYSA-N 0 0 436.497 2.767 50 0 IFAARN O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3ccc4nsnc4c3)CC2)n[nH]1 ZINC000225564260 569404522 /nfs/dbraw/zinc/40/45/22/569404522.db2.gz BHGNOIMYDOXABH-UHFFFAOYSA-N 0 0 438.435 2.726 50 0 IFAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC000225601418 569405507 /nfs/dbraw/zinc/40/55/07/569405507.db2.gz ZDBMDHIJRLVYKO-UHFFFAOYSA-N 0 0 437.327 2.890 50 0 IFAARN Cc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)s1 ZINC000002496874 569405721 /nfs/dbraw/zinc/40/57/21/569405721.db2.gz DGEZDBQGXUIYQZ-UHFFFAOYSA-N 0 0 435.531 2.911 50 0 IFAARN CS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)cc1 ZINC000225619997 569405853 /nfs/dbraw/zinc/40/58/53/569405853.db2.gz ZPWRWYCSBMLQKH-UHFFFAOYSA-N 0 0 442.459 2.882 50 0 IFAARN O=C(Cc1c(F)cccc1Cl)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000225620731 569405963 /nfs/dbraw/zinc/40/59/63/569405963.db2.gz XSEUQFITKRHAGH-UHFFFAOYSA-N 0 0 425.913 2.634 50 0 IFAARN O=C(N1CC(n2cc(CN3CCCC3=O)nn2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000225631173 569406253 /nfs/dbraw/zinc/40/62/53/569406253.db2.gz RTPOYEHJUUPOTP-UHFFFAOYSA-N 0 0 427.936 2.949 50 0 IFAARN COc1ccc(S(=O)(=O)NCC2(c3ccc([C@H](C)O)s3)CCCC2)cc1C(N)=O ZINC000225684741 569406941 /nfs/dbraw/zinc/40/69/41/569406941.db2.gz UYQLLOJCLFOKKY-ZDUSSCGKSA-N 0 0 438.571 2.699 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225730317 569407524 /nfs/dbraw/zinc/40/75/24/569407524.db2.gz NDVZHFKRSYBXNK-UHFFFAOYSA-N 0 0 436.843 2.668 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 ZINC000225731440 569407661 /nfs/dbraw/zinc/40/76/61/569407661.db2.gz JYOLSKSAJGIIDM-OAHLLOKOSA-N 0 0 443.447 2.644 50 0 IFAARN O=S(=O)(Cc1cc(F)ccc1F)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000225743699 569407896 /nfs/dbraw/zinc/40/78/96/569407896.db2.gz QCRMHJZJVQPGRE-UHFFFAOYSA-N 0 0 447.511 2.538 50 0 IFAARN Cc1c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)cnn1-c1ccccc1 ZINC000225758621 569408217 /nfs/dbraw/zinc/40/82/17/569408217.db2.gz RYTOTIQBCNFBCR-UHFFFAOYSA-N 0 0 429.480 2.661 50 0 IFAARN O=C(NCc1cccnc1-c1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225760000 569408234 /nfs/dbraw/zinc/40/82/34/569408234.db2.gz FYDRHXCOSFIHJS-UHFFFAOYSA-N 0 0 443.550 2.761 50 0 IFAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2cccnc2-c2cccs2)cc1 ZINC000225763559 569408447 /nfs/dbraw/zinc/40/84/47/569408447.db2.gz XVKOXRTXEKKLFO-UHFFFAOYSA-N 0 0 427.507 2.942 50 0 IFAARN O=C(Cc1ccc(OC(F)(F)F)cc1)NCCN1Cc2cc(F)ccc2OCC1=O ZINC000225771562 569408450 /nfs/dbraw/zinc/40/84/50/569408450.db2.gz IOAVAEYYYCAAGZ-UHFFFAOYSA-N 0 0 426.366 2.804 50 0 IFAARN Cc1c(NC(=O)[C@H](C)OC(=O)COc2ccc3c(c2)CCC3)c(=O)n(-c2ccccc2)n1C ZINC000002619934 569410780 /nfs/dbraw/zinc/41/07/80/569410780.db2.gz ZVKZEVIMYWJEAV-KRWDZBQOSA-N 0 0 449.507 2.922 50 0 IFAARN CCn1c(=O)c2cc3c(cc2nc1N1CCN(C(=O)Nc2ccccc2C)CC1)OCCO3 ZINC000028555729 569412254 /nfs/dbraw/zinc/41/22/54/569412254.db2.gz FIFMMRKJYSPMJZ-UHFFFAOYSA-N 0 0 449.511 2.850 50 0 IFAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)OCC(=O)N1CCc2ccccc21 ZINC000002631852 569412490 /nfs/dbraw/zinc/41/24/90/569412490.db2.gz IOOGIPBHDLSRQG-UHFFFAOYSA-N 0 0 437.521 2.929 50 0 IFAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NCCc4ccccc4)C3=O)ccc2c1 ZINC000002635715 569412943 /nfs/dbraw/zinc/41/29/43/569412943.db2.gz DZEOPVFFTGMQJH-RUZDIDTESA-N 0 0 431.492 2.974 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(C(C)=O)cc4)CC3)C2=O)cc1 ZINC000215726919 569414219 /nfs/dbraw/zinc/41/42/19/569414219.db2.gz JMKRFBBLBJZNBX-JOCHJYFZSA-N 0 0 449.507 2.520 50 0 IFAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)N1CCCC1 ZINC000002646606 569414305 /nfs/dbraw/zinc/41/43/05/569414305.db2.gz RDLRADMLIZECGB-UHFFFAOYSA-N 0 0 436.917 2.598 50 0 IFAARN CCOc1ccccc1NC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002646995 569414322 /nfs/dbraw/zinc/41/43/22/569414322.db2.gz QCHYBDVPFQUPII-UHFFFAOYSA-N 0 0 440.905 2.541 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(CSc1nnc(-c3ccccc3OC)n1C)[nH]c2=O ZINC000002651191 569414850 /nfs/dbraw/zinc/41/48/50/569414850.db2.gz NBCCAYGEQNTWFB-UHFFFAOYSA-N 0 0 437.481 2.806 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2N)c1C ZINC000002651340 569414922 /nfs/dbraw/zinc/41/49/22/569414922.db2.gz ZQSVRNNUVSMBSU-UHFFFAOYSA-N 0 0 429.502 2.764 50 0 IFAARN CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000002656883 569415513 /nfs/dbraw/zinc/41/55/13/569415513.db2.gz JPBVBPYIVKVWAA-JOCHJYFZSA-N 0 0 441.509 2.819 50 0 IFAARN CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000002656884 569415551 /nfs/dbraw/zinc/41/55/51/569415551.db2.gz JPBVBPYIVKVWAA-QFIPXVFZSA-N 0 0 441.509 2.819 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)ccc2OC)c1 ZINC000002657394 569415694 /nfs/dbraw/zinc/41/56/94/569415694.db2.gz QAFHXRQCKMPDLG-UHFFFAOYSA-N 0 0 434.514 2.696 50 0 IFAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000002658797 569415756 /nfs/dbraw/zinc/41/57/56/569415756.db2.gz WNSBQUZJEKRGKI-FQEVSTJZSA-N 0 0 446.459 2.938 50 0 IFAARN COc1cc(-c2nnc(SCn3nnc4ccccc4c3=O)o2)cc(OC)c1OC ZINC000002662874 569416212 /nfs/dbraw/zinc/41/62/12/569416212.db2.gz KPUDSOZSNRLAOO-UHFFFAOYSA-N 0 0 427.442 2.617 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000002664145 569416387 /nfs/dbraw/zinc/41/63/87/569416387.db2.gz QXEDOFKNJHMJFO-CYBMUJFWSA-N 0 0 439.921 2.950 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCCCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000028668531 569416875 /nfs/dbraw/zinc/41/68/75/569416875.db2.gz GUDDALKIVWRFRE-GOSISDBHSA-N 0 0 441.557 2.820 50 0 IFAARN COCCn1c(Cc2cccn2C)nnc1SCC(=O)NCc1ccccc1Cl ZINC000002713861 569417929 /nfs/dbraw/zinc/41/79/29/569417929.db2.gz WYKMWSLXHKVJIO-UHFFFAOYSA-N 0 0 433.965 2.916 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)c1c(I)cnn1C)CCC2 ZINC000002778211 569421117 /nfs/dbraw/zinc/42/11/17/569421117.db2.gz OLKZAGYZZVJSDH-UHFFFAOYSA-N 0 0 431.255 2.614 50 0 IFAARN Cn1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ncc(Br)cn4n3)cc2)n1 ZINC000002808893 569422758 /nfs/dbraw/zinc/42/27/58/569422758.db2.gz BZKMUGDFCYZEPF-UHFFFAOYSA-N 0 0 440.261 2.730 50 0 IFAARN CC[C@@H](C)NC(=O)c1sc2ncn(CC(=O)Nc3ccccc3OC)c(=O)c2c1C ZINC000002922806 569425488 /nfs/dbraw/zinc/42/54/88/569425488.db2.gz QZHOZCLESWNLBH-GFCCVEGCSA-N 0 0 428.514 2.942 50 0 IFAARN CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl)C(=O)N1CCOCC1 ZINC000002927498 569425934 /nfs/dbraw/zinc/42/59/34/569425934.db2.gz USRXFZUOQWCZRX-OAHLLOKOSA-N 0 0 446.964 2.919 50 0 IFAARN COc1cc(CCC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc(OC)c1OC ZINC000029085295 569426108 /nfs/dbraw/zinc/42/61/08/569426108.db2.gz MRJYGMNEDNHLKN-FQEVSTJZSA-N 0 0 428.529 2.835 50 0 IFAARN CCCNC(=O)Cn1cnc2sc(C(=O)Nc3ccc(OC)c(OC)c3)c(C)c2c1=O ZINC000002937396 569426293 /nfs/dbraw/zinc/42/62/93/569426293.db2.gz DGZCUKMDHFXDKY-UHFFFAOYSA-N 0 0 444.513 2.562 50 0 IFAARN CSc1ccccc1C(=O)N1CCN(c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1 ZINC000056936736 569427764 /nfs/dbraw/zinc/42/77/64/569427764.db2.gz WMDSKVAWIZLRJG-KRWDZBQOSA-N 0 0 448.614 2.544 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000057296754 569430509 /nfs/dbraw/zinc/43/05/09/569430509.db2.gz GQYZONXJNPBGPM-UHFFFAOYSA-N 0 0 449.515 2.738 50 0 IFAARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)N1CCN(C(=O)c2cccs2)CC1 ZINC000057347711 569431263 /nfs/dbraw/zinc/43/12/63/569431263.db2.gz WAFGNKAFZVIYSL-KRWDZBQOSA-N 0 0 433.599 2.775 50 0 IFAARN CCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NC(C)C)cc3)c(=O)c2cc1OCC ZINC000002952408 569432304 /nfs/dbraw/zinc/43/23/04/569432304.db2.gz GTEJIFJCDHPFTK-UHFFFAOYSA-N 0 0 425.485 2.674 50 0 IFAARN C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000057380612 569432563 /nfs/dbraw/zinc/43/25/63/569432563.db2.gz VYTWOTXPHGVOGK-LBPRGKRZSA-N 0 0 434.331 2.819 50 0 IFAARN CC(=O)NCCn1c(SCC(=O)Nc2ccccc2Cl)nc2ccccc2c1=O ZINC000002971759 569433479 /nfs/dbraw/zinc/43/34/79/569433479.db2.gz ZBSLKVJZSOBBCW-UHFFFAOYSA-N 0 0 430.917 2.917 50 0 IFAARN COC(=O)C1C(CN2CCN(c3cccc(Cl)c3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057414290 569433903 /nfs/dbraw/zinc/43/39/03/569433903.db2.gz KSCNIVMWRFIDNT-NRFANRHFSA-N 0 0 440.931 2.943 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3ccccc3C)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414403 569433974 /nfs/dbraw/zinc/43/39/74/569433974.db2.gz FWPSTFFICYRFMH-HSZRJFAPSA-N 0 0 434.540 2.988 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000057416049 569434247 /nfs/dbraw/zinc/43/42/47/569434247.db2.gz KXIKZIFWRAEEPK-FQEVSTJZSA-N 0 0 426.542 2.660 50 0 IFAARN COCCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2ccsc2c1=O ZINC000057425794 569434478 /nfs/dbraw/zinc/43/44/78/569434478.db2.gz WKNYBXNRMYRFLF-UHFFFAOYSA-N 0 0 435.527 2.852 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCC(C)C)c2=O)cc1 ZINC000057426677 569434654 /nfs/dbraw/zinc/43/46/54/569434654.db2.gz HLKNSHDREXSBQC-UHFFFAOYSA-N 0 0 429.498 2.696 50 0 IFAARN COc1cccc(CNC(=O)Cn2c3ccsc3c(=O)n(CCC(C)C)c2=O)c1OC ZINC000057426674 569434662 /nfs/dbraw/zinc/43/46/62/569434662.db2.gz DFTOIVRQZDMQKZ-UHFFFAOYSA-N 0 0 445.541 2.604 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCCC[C@@H]3C)c2=O)c1 ZINC000057426833 569434697 /nfs/dbraw/zinc/43/46/97/569434697.db2.gz MGKYAYSLVUSKNP-HNNXBMFYSA-N 0 0 427.526 2.683 50 0 IFAARN COC(=O)c1sc2nc(SCC(=O)Nc3c(C)cccc3C)n(N)c(=O)c2c1C ZINC000003018512 569435521 /nfs/dbraw/zinc/43/55/21/569435521.db2.gz VAFSVGIRALIKLS-UHFFFAOYSA-N 0 0 432.527 2.614 50 0 IFAARN CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O ZINC000057477535 569435775 /nfs/dbraw/zinc/43/57/75/569435775.db2.gz OAPMZZGYXNRDGI-UHFFFAOYSA-N 0 0 431.876 2.883 50 0 IFAARN O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000003024357 569436159 /nfs/dbraw/zinc/43/61/59/569436159.db2.gz GRIQKYDMVWTFGX-UHFFFAOYSA-N 0 0 443.294 2.861 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CC(C)C)c1=O ZINC000057486054 569436399 /nfs/dbraw/zinc/43/63/99/569436399.db2.gz OFHDVANQLUTVQW-UHFFFAOYSA-N 0 0 429.498 2.696 50 0 IFAARN Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O ZINC000057489837 569437116 /nfs/dbraw/zinc/43/71/16/569437116.db2.gz JRQASDWCCPCBRV-UHFFFAOYSA-N 0 0 449.488 2.932 50 0 IFAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N2CCc3ccccc32)c1=O ZINC000057490905 569437262 /nfs/dbraw/zinc/43/72/62/569437262.db2.gz RQKURJHMCOOUJM-UHFFFAOYSA-N 0 0 433.489 2.812 50 0 IFAARN Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NC5CCCCC5)nc34)n2)c1 ZINC000057494702 569437697 /nfs/dbraw/zinc/43/76/97/569437697.db2.gz GVTVRDPMPZVHEH-UHFFFAOYSA-N 0 0 432.484 2.970 50 0 IFAARN Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NCc5ccccc5)nc34)n2)c1 ZINC000057494698 569437716 /nfs/dbraw/zinc/43/77/16/569437716.db2.gz QWHBKNZMUIEPRE-UHFFFAOYSA-N 0 0 440.463 2.838 50 0 IFAARN CCCCNC(=O)Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O ZINC000057503234 569438081 /nfs/dbraw/zinc/43/80/81/569438081.db2.gz UDXNMJXIOXSRSL-UHFFFAOYSA-N 0 0 426.864 2.783 50 0 IFAARN O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1cccc(F)c1 ZINC000057504025 569438168 /nfs/dbraw/zinc/43/81/68/569438168.db2.gz FCKGJLUOVUEZOR-UHFFFAOYSA-N 0 0 430.399 2.991 50 0 IFAARN Cc1cc2nn(CC(=O)Nc3ccc(C)c(F)c3)c(=O)n2c(N2CCc3ccccc3C2)n1 ZINC000057505884 569438195 /nfs/dbraw/zinc/43/81/95/569438195.db2.gz WGVJAOZIQCFEAQ-UHFFFAOYSA-N 0 0 446.486 2.848 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(C)nc1N1CCc2ccccc2C1 ZINC000057506507 569438261 /nfs/dbraw/zinc/43/82/61/569438261.db2.gz AQCMGCYHKBAQSB-UHFFFAOYSA-N 0 0 446.507 2.930 50 0 IFAARN COc1ccc(OC)c(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc32)c1 ZINC000057506833 569438265 /nfs/dbraw/zinc/43/82/65/569438265.db2.gz IHYYTWXYYFZJJQ-UHFFFAOYSA-N 0 0 447.542 2.671 50 0 IFAARN Cc1ccc(-c2csc3ncnc(N4CCN([C@H]5CCS(=O)(=O)C5)CC4)c23)cc1 ZINC000057509225 569438370 /nfs/dbraw/zinc/43/83/70/569438370.db2.gz ARJQUUBLYFLEOL-KRWDZBQOSA-N 0 0 428.583 2.976 50 0 IFAARN CCCc1nnc2c(=O)n(CC(=O)Nc3ccccc3C(=O)OCC)c3ccccc3n12 ZINC000057522670 569438984 /nfs/dbraw/zinc/43/89/84/569438984.db2.gz GYRXTDAABPHUPH-UHFFFAOYSA-N 0 0 433.468 2.812 50 0 IFAARN CCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000057522006 569438995 /nfs/dbraw/zinc/43/89/95/569438995.db2.gz IANOXRXSQXNKEZ-UHFFFAOYSA-N 0 0 429.521 2.633 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@H]1[C@@H](C(=O)NCc1ccccc1F)C2 ZINC000230130045 569439131 /nfs/dbraw/zinc/43/91/31/569439131.db2.gz AEFQDVDWNHRLHS-REWPJTCUSA-N 0 0 447.514 2.808 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@@H]1CC ZINC000057585936 569439991 /nfs/dbraw/zinc/43/99/91/569439991.db2.gz AYRZSPSDYXEGOS-SJLPKXTDSA-N 0 0 429.517 2.893 50 0 IFAARN CCOC(=O)c1sc(NC(=O)CCn2nnc3ccccc3c2=O)nc1-c1ccccc1 ZINC000057658352 569440661 /nfs/dbraw/zinc/44/06/61/569440661.db2.gz BVKPLHCGDPFGFI-UHFFFAOYSA-N 0 0 449.492 3.121 50 0 IFAARN COc1ccc(OC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000003207408 569441660 /nfs/dbraw/zinc/44/16/60/569441660.db2.gz SIHOKEFOTSMRHX-UHFFFAOYSA-N 0 0 433.511 2.706 50 0 IFAARN CCCCN(C(=O)NC(=O)Nc1ccccc1I)S(C)(=O)=O ZINC000003214892 569441804 /nfs/dbraw/zinc/44/18/04/569441804.db2.gz VHFFUOWCJHXEIT-UHFFFAOYSA-N 0 0 439.275 2.594 50 0 IFAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)s2)cc1 ZINC000003247407 569442787 /nfs/dbraw/zinc/44/27/87/569442787.db2.gz ZHSKDOFJBLZFJV-UHFFFAOYSA-N 0 0 435.556 2.968 50 0 IFAARN O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003255709 569443062 /nfs/dbraw/zinc/44/30/62/569443062.db2.gz XBETZKLXCKQZCW-UHFFFAOYSA-N 0 0 433.745 2.805 50 0 IFAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCCN1C(=O)c2ccccc2C1=O ZINC000003268882 569443471 /nfs/dbraw/zinc/44/34/71/569443471.db2.gz LJFAIIFCIPFPRW-UHFFFAOYSA-N 0 0 428.444 2.923 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](CC)(c3ccc(F)cc3)C2=O)c1C ZINC000003280679 569443924 /nfs/dbraw/zinc/44/39/24/569443924.db2.gz CNSDVESLNFIRSR-JOCHJYFZSA-N 0 0 429.448 2.987 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC3(c4ccccc4)CCC3)CC2)cc1 ZINC000030573659 569443996 /nfs/dbraw/zinc/44/39/96/569443996.db2.gz DYNZPCRWNPVXCB-UHFFFAOYSA-N 0 0 441.597 2.539 50 0 IFAARN O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000003289052 569444262 /nfs/dbraw/zinc/44/42/62/569444262.db2.gz CPZISAFOVKCGOS-UHFFFAOYSA-N 0 0 443.415 2.910 50 0 IFAARN CCOC(=O)[C@H](CNS(=O)(=O)c1ccc(OCCOC)c(C)c1)Cc1ccccc1 ZINC000057991051 569444288 /nfs/dbraw/zinc/44/42/88/569444288.db2.gz HPVXZABVOQBUGD-IBGZPJMESA-N 0 0 435.542 2.721 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@@H]3CCCN3[C@@]13c1ccccc1NC3=O)OCO2 ZINC000057992195 569444312 /nfs/dbraw/zinc/44/43/12/569444312.db2.gz LXBLBBMTEWXEOZ-NPALWHDTSA-N 0 0 433.464 2.888 50 0 IFAARN CCOC(=O)[C@@H](CNS(=O)(=O)c1ccc(OCCOC)c(C)c1)Cc1ccccc1 ZINC000057991052 569444330 /nfs/dbraw/zinc/44/43/30/569444330.db2.gz HPVXZABVOQBUGD-LJQANCHMSA-N 0 0 435.542 2.721 50 0 IFAARN COc1ccccc1NC(=O)COC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O ZINC000003290507 569444362 /nfs/dbraw/zinc/44/43/62/569444362.db2.gz OTAKXXJRPHPSGT-KRWDZBQOSA-N 0 0 442.493 2.595 50 0 IFAARN C[C@@H](OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000003299772 569444919 /nfs/dbraw/zinc/44/49/19/569444919.db2.gz VPZQBOVFMRBWOM-SNVBAGLBSA-N 0 0 436.251 2.979 50 0 IFAARN O=C(CCS(=O)(=O)CCCc1nc(-c2cccc(C(F)(F)F)c2)no1)NC1CC1 ZINC000058016242 569444942 /nfs/dbraw/zinc/44/49/42/569444942.db2.gz VTFXUPNJFOJTJV-UHFFFAOYSA-N 0 0 431.436 2.772 50 0 IFAARN Cc1ccc(C)c(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000003301531 569445020 /nfs/dbraw/zinc/44/50/20/569445020.db2.gz DQCQPKHPLPXZKF-UHFFFAOYSA-N 0 0 436.555 2.948 50 0 IFAARN Cc1cc2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n2c2ccccc12 ZINC000003302208 569445078 /nfs/dbraw/zinc/44/50/78/569445078.db2.gz AAQVXGVXNOAPCD-UHFFFAOYSA-N 0 0 435.509 2.861 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1OCC ZINC000003301640 569445098 /nfs/dbraw/zinc/44/50/98/569445098.db2.gz XTOSXICPWIDIQI-MRXNPFEDSA-N 0 0 440.496 2.735 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccccc2I)cc1 ZINC000003304218 569445209 /nfs/dbraw/zinc/44/52/09/569445209.db2.gz UGWCCMITIGANLB-UHFFFAOYSA-N 0 0 437.237 2.618 50 0 IFAARN O=C(CCCNC(=O)C1CC1)N1CCCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000058023268 569445442 /nfs/dbraw/zinc/44/54/42/569445442.db2.gz MKCURMIEBBLFRE-UHFFFAOYSA-N 0 0 425.451 2.686 50 0 IFAARN COCCn1c(SCC(=O)NCC(F)(F)F)nc2sc3c(c2c1=O)CCCC3 ZINC000003328597 569446332 /nfs/dbraw/zinc/44/63/32/569446332.db2.gz XTQBNSLCQRJPLP-UHFFFAOYSA-N 0 0 435.493 2.754 50 0 IFAARN O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NC(c1ccccc1)c1ccccc1 ZINC000003338251 569446743 /nfs/dbraw/zinc/44/67/43/569446743.db2.gz WSQDWFDRQGWFGI-UHFFFAOYSA-N 0 0 428.444 2.732 50 0 IFAARN Cc1nc2sc3c(c2c(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1)CCCC3 ZINC000003358239 569447724 /nfs/dbraw/zinc/44/77/24/569447724.db2.gz JJYJREPXSCPVEI-GFCCVEGCSA-N 0 0 425.601 2.616 50 0 IFAARN COC(=O)C[C@H](NC(=O)Cn1c2ccccc2n(C)c1=O)c1cccc(Br)c1 ZINC000058113328 569447863 /nfs/dbraw/zinc/44/78/63/569447863.db2.gz NBEMLWLZENFCCD-HNNXBMFYSA-N 0 0 446.301 2.523 50 0 IFAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccc(I)c1)C2=O ZINC000003362659 569448001 /nfs/dbraw/zinc/44/80/01/569448001.db2.gz XHPQTFLDSQYFNS-DIFFPNOSSA-N 0 0 441.269 2.730 50 0 IFAARN O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)N[C@@H]1CCS(=O)(=O)C1 ZINC000003363867 569448019 /nfs/dbraw/zinc/44/80/19/569448019.db2.gz OJNCVSIINDPEOE-MRXNPFEDSA-N 0 0 434.587 2.710 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)CCCN2C(=O)c3ccccc3C2=O)n1 ZINC000003368855 569448239 /nfs/dbraw/zinc/44/82/39/569448239.db2.gz RXZVKUJQHSHZFZ-UHFFFAOYSA-N 0 0 446.467 2.625 50 0 IFAARN O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccccc1 ZINC000058136831 569448434 /nfs/dbraw/zinc/44/84/34/569448434.db2.gz HWAFGRSETZCYCQ-QHCPKHFHSA-N 0 0 447.514 2.839 50 0 IFAARN COc1ccc([C@@H](NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1 ZINC000058157543 569449028 /nfs/dbraw/zinc/44/90/28/569449028.db2.gz PDWIFBGPAZIJLM-QFIPXVFZSA-N 0 0 425.510 2.660 50 0 IFAARN C[C@@H]1Oc2ccccc2N(CCC(=O)N(CCO)Cc2ccccc2Br)C1=O ZINC000058159905 569449179 /nfs/dbraw/zinc/44/91/79/569449179.db2.gz HVXBXLFHAXPDDD-HNNXBMFYSA-N 0 0 447.329 2.974 50 0 IFAARN CCOc1ccc(C[C@@H](CNC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C(N)=O)cc1 ZINC000058162149 569449316 /nfs/dbraw/zinc/44/93/16/569449316.db2.gz FIEUNYOHAMEORQ-KRWDZBQOSA-N 0 0 449.515 2.539 50 0 IFAARN CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000058169349 569449570 /nfs/dbraw/zinc/44/95/70/569449570.db2.gz WYUILEBKTSVEIH-UHFFFAOYSA-N 0 0 437.562 2.504 50 0 IFAARN O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000003421636 569450441 /nfs/dbraw/zinc/45/04/41/569450441.db2.gz PNQHFGKFYJSJHU-UHFFFAOYSA-N 0 0 446.920 2.743 50 0 IFAARN O=C(CSc1n[nH]c(-c2ccccc2F)n1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003431827 569450907 /nfs/dbraw/zinc/45/09/07/569450907.db2.gz SVAFDUBWKOOZCT-UHFFFAOYSA-N 0 0 429.433 2.822 50 0 IFAARN CC(C)CCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000003433744 569450937 /nfs/dbraw/zinc/45/09/37/569450937.db2.gz ZSHCIMBQCRBERU-UHFFFAOYSA-N 0 0 444.553 2.753 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003433548 569450962 /nfs/dbraw/zinc/45/09/62/569450962.db2.gz GZVZGKQVCUOGFR-UHFFFAOYSA-N 0 0 443.352 2.987 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CSc2nnc(Cc3ccccc3F)n2N)n1 ZINC000003445325 569451326 /nfs/dbraw/zinc/45/13/26/569451326.db2.gz NHPWBLXODFUTQZ-UHFFFAOYSA-N 0 0 437.508 2.833 50 0 IFAARN C[C@@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)C(=O)NCc1ccco1 ZINC000003456561 569451839 /nfs/dbraw/zinc/45/18/39/569451839.db2.gz JWNPOKLTBRBDBL-QAPCUYQASA-N 0 0 426.494 2.930 50 0 IFAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000003464087 569451946 /nfs/dbraw/zinc/45/19/46/569451946.db2.gz RWBTWOIHEYQZDF-NRFANRHFSA-N 0 0 429.860 2.907 50 0 IFAARN Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1 ZINC000003469868 569452052 /nfs/dbraw/zinc/45/20/52/569452052.db2.gz AMKOXKUAVCOXFE-UHFFFAOYSA-N 0 0 429.454 2.826 50 0 IFAARN COc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl ZINC000003472224 569452082 /nfs/dbraw/zinc/45/20/82/569452082.db2.gz AWCIIRRZYMQTPF-UHFFFAOYSA-N 0 0 428.869 2.761 50 0 IFAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)NC[C@H]4CCCO4)cc3C2=O)c1 ZINC000003471876 569452097 /nfs/dbraw/zinc/45/20/97/569452097.db2.gz QYTPQYMNEHHQDP-QGZVFWFLSA-N 0 0 436.464 2.556 50 0 IFAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000031025478 569452483 /nfs/dbraw/zinc/45/24/83/569452483.db2.gz OHBIEAIMXNJMBI-UHFFFAOYSA-N 0 0 445.466 2.831 50 0 IFAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCn1nnc2ccccc2c1=O ZINC000003490282 569452530 /nfs/dbraw/zinc/45/25/30/569452530.db2.gz CMTDBJKJQYPOHG-NRFANRHFSA-N 0 0 428.448 2.854 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1OC ZINC000003494224 569452630 /nfs/dbraw/zinc/45/26/30/569452630.db2.gz MMOCEVYRMNTPTO-UHFFFAOYSA-N 0 0 443.481 2.934 50 0 IFAARN CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1 ZINC000003517934 569453160 /nfs/dbraw/zinc/45/31/60/569453160.db2.gz QZQWZECQTLWQSY-FQEVSTJZSA-N 0 0 447.557 2.729 50 0 IFAARN C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003521852 569453186 /nfs/dbraw/zinc/45/31/86/569453186.db2.gz DHRARJBYTLUTEL-SNVBAGLBSA-N 0 0 433.540 2.711 50 0 IFAARN CC(C)[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003530245 569453333 /nfs/dbraw/zinc/45/33/33/569453333.db2.gz XBTMUZYJFBGSNY-MRXNPFEDSA-N 0 0 430.526 2.756 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC[C@H](C)c1ccccc1 ZINC000031084294 569453354 /nfs/dbraw/zinc/45/33/54/569453354.db2.gz JRVCQVIDQHRILS-SFHVURJKSA-N 0 0 429.586 3.000 50 0 IFAARN Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(OC(F)F)cc1 ZINC000003533892 569453515 /nfs/dbraw/zinc/45/35/15/569453515.db2.gz LPFZRKGSEKDMJW-UHFFFAOYSA-N 0 0 435.412 2.720 50 0 IFAARN COc1cc(OC)cc(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000003545110 569453677 /nfs/dbraw/zinc/45/36/77/569453677.db2.gz YUAMTCNFAGGPTH-UHFFFAOYSA-N 0 0 427.862 2.556 50 0 IFAARN COc1ccc(OCc2nnc(SCC(=O)N3CCOCC3)n2-c2ccccc2)cc1 ZINC000003556193 569453921 /nfs/dbraw/zinc/45/39/21/569453921.db2.gz QRRRVABAEBLXPL-UHFFFAOYSA-N 0 0 440.525 2.806 50 0 IFAARN COc1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc(OC)c1Br ZINC000031194018 569454698 /nfs/dbraw/zinc/45/46/98/569454698.db2.gz HKZOBTXFHFYPAH-UHFFFAOYSA-N 0 0 425.323 2.941 50 0 IFAARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000031246110 569455102 /nfs/dbraw/zinc/45/51/02/569455102.db2.gz NDFSRBWUQGZDBK-UHFFFAOYSA-N 0 0 425.451 2.586 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CSCc1cc(=O)n3ccsc3n1)CC2 ZINC000031240194 569455121 /nfs/dbraw/zinc/45/51/21/569455121.db2.gz GFLHRMMWFIYDBC-UHFFFAOYSA-N 0 0 431.539 2.591 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCCC4)nc3)C2)s1 ZINC000031316470 569455748 /nfs/dbraw/zinc/45/57/48/569455748.db2.gz PACDJMYCNPHZBU-GOSISDBHSA-N 0 0 448.614 2.769 50 0 IFAARN C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1nnc(-c2ccccc2)o1 ZINC000031311968 569455771 /nfs/dbraw/zinc/45/57/71/569455771.db2.gz UZVPUTRZVPZWSE-CQSZACIVSA-N 0 0 430.486 2.778 50 0 IFAARN C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1nnc(-c2ccccc2)o1 ZINC000031311971 569455775 /nfs/dbraw/zinc/45/57/75/569455775.db2.gz UZVPUTRZVPZWSE-AWEZNQCLSA-N 0 0 430.486 2.778 50 0 IFAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2C)cc1 ZINC000003657887 569455779 /nfs/dbraw/zinc/45/57/79/569455779.db2.gz RDPFKHQWRGXTBD-VXKWHMMOSA-N 0 0 436.508 2.971 50 0 IFAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2C)cc1 ZINC000003657890 569455785 /nfs/dbraw/zinc/45/57/85/569455785.db2.gz RDPFKHQWRGXTBD-FGZHOGPDSA-N 0 0 436.508 2.971 50 0 IFAARN COc1ccc(-n2nc(C(=O)NCC(=O)NC3CCCCCC3)c3ccccc3c2=O)cc1 ZINC000003660357 569455856 /nfs/dbraw/zinc/45/58/56/569455856.db2.gz RMEASKCHYGWKCP-UHFFFAOYSA-N 0 0 448.523 2.963 50 0 IFAARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000031353072 569456148 /nfs/dbraw/zinc/45/61/48/569456148.db2.gz YHWYHYYMBMPHOU-INIZCTEOSA-N 0 0 433.551 2.710 50 0 IFAARN CCOc1ccccc1C(=O)NCC(=O)NCC[C@@](O)(c1ccc(C)o1)C(F)(F)F ZINC000031570550 569456769 /nfs/dbraw/zinc/45/67/69/569456769.db2.gz XVNLGPVNCHEGTM-LJQANCHMSA-N 0 0 428.407 2.673 50 0 IFAARN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000031600545 569456879 /nfs/dbraw/zinc/45/68/79/569456879.db2.gz XXAYFCLRJZYXIS-GOSISDBHSA-N 0 0 438.553 2.709 50 0 IFAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(C)nn3-c3ccccc3)C2=O)cc1 ZINC000031634468 569456917 /nfs/dbraw/zinc/45/69/17/569456917.db2.gz NZJFWXVOYRMFKC-HSZRJFAPSA-N 0 0 433.468 2.595 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000031786347 569457424 /nfs/dbraw/zinc/45/74/24/569457424.db2.gz GNOMEMFETPRTBM-UHFFFAOYSA-N 0 0 436.537 2.694 50 0 IFAARN COc1c(C)cnc(CN2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4ccc(CO)cc43)CC2)c1C ZINC000031808535 569457556 /nfs/dbraw/zinc/45/75/56/569457556.db2.gz ZUTKFESAYLGWIX-QFIPXVFZSA-N 0 0 438.528 2.624 50 0 IFAARN CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nc(C)c(C)s1 ZINC000032094549 569459771 /nfs/dbraw/zinc/45/97/71/569459771.db2.gz RSVNRMFMUVXOQN-WBVHZDCISA-N 0 0 446.598 2.989 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000032102849 569460187 /nfs/dbraw/zinc/46/01/87/569460187.db2.gz VKPCLUNWJSOALE-UHFFFAOYSA-N 0 0 439.537 2.994 50 0 IFAARN Cc1nc2ccccc2nc1N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(CO)cc32)CC1 ZINC000032102799 569460217 /nfs/dbraw/zinc/46/02/17/569460217.db2.gz DWLQQRGFWSLTMX-JOCHJYFZSA-N 0 0 431.496 2.860 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)ncn(-c2cccc(Cl)c2)c3=O)CC1 ZINC000032105549 569460250 /nfs/dbraw/zinc/46/02/50/569460250.db2.gz MMZKATZLTFRFNS-UHFFFAOYSA-N 0 0 440.887 2.953 50 0 IFAARN Cc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1NC(=O)c1ccccc1F ZINC000032164952 569460592 /nfs/dbraw/zinc/46/05/92/569460592.db2.gz SXKIUMFKDMWZTN-KRWDZBQOSA-N 0 0 447.532 2.930 50 0 IFAARN COc1cccc(-c2nc3c([nH]c(=O)n3-c3ccc(Cl)cc3)c(C(N)=O)n2)c1OC ZINC000004175939 569460640 /nfs/dbraw/zinc/46/06/40/569460640.db2.gz HJPNXJBLZOHFEA-UHFFFAOYSA-N 0 0 425.832 2.545 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NCCc3nnc4ccccn43)CCCC2)c1 ZINC000032425492 569461668 /nfs/dbraw/zinc/46/16/68/569461668.db2.gz QUCFUEGORRZQKO-UHFFFAOYSA-N 0 0 426.542 2.792 50 0 IFAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000008025703 569462099 /nfs/dbraw/zinc/46/20/99/569462099.db2.gz YANIVSKPLRBUGX-QGZVFWFLSA-N 0 0 427.570 2.566 50 0 IFAARN CCOc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4)c3=O)n2)cc1 ZINC000038486635 569462770 /nfs/dbraw/zinc/46/27/70/569462770.db2.gz VGBMCTHTDJDQIM-UHFFFAOYSA-N 0 0 429.440 2.533 50 0 IFAARN COc1ccc(NC(=O)CN2CCC(C(=O)NCc3ccc(F)cc3F)CC2)c(OC)c1 ZINC000038488577 569463079 /nfs/dbraw/zinc/46/30/79/569463079.db2.gz VMMSTPQPHOGOLH-UHFFFAOYSA-N 0 0 447.482 2.949 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2c(C)oc(C)c2S(=O)(=O)N2CCCC2)CC1 ZINC000038489397 569463102 /nfs/dbraw/zinc/46/31/02/569463102.db2.gz SRQIESKYBJTCLI-UHFFFAOYSA-N 0 0 447.557 2.652 50 0 IFAARN Cn1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1NC(=O)C[C@H]2c1ccco1 ZINC000038519860 569463123 /nfs/dbraw/zinc/46/31/23/569463123.db2.gz LCCCCFRGRIYFIN-DOMZBBRYSA-N 0 0 437.431 2.618 50 0 IFAARN Cn1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1NC(=O)C[C@H]2c1ccco1 ZINC000038519862 569463166 /nfs/dbraw/zinc/46/31/66/569463166.db2.gz LCCCCFRGRIYFIN-WFASDCNBSA-N 0 0 437.431 2.618 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2ncn3nc(-c4ccc(CC)cc4)cc3c2=O)cc1 ZINC000067208729 569464781 /nfs/dbraw/zinc/46/47/81/569464781.db2.gz CSSGMVUHXCPYDA-UHFFFAOYSA-N 0 0 445.479 2.936 50 0 IFAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1cnccn1 ZINC000038620174 569464868 /nfs/dbraw/zinc/46/48/68/569464868.db2.gz WDPLNCPQBJKJKL-OAQYLSRUSA-N 0 0 449.486 2.638 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1cnc2nc(N3CCC[C@@H](C)C3)sc2c1=O ZINC000067226110 569465229 /nfs/dbraw/zinc/46/52/29/569465229.db2.gz FWAMZOGVCZSXPM-CYBMUJFWSA-N 0 0 441.513 2.515 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)CC1 ZINC000067239383 569465688 /nfs/dbraw/zinc/46/56/88/569465688.db2.gz NKBDJDIJMVQNST-UHFFFAOYSA-N 0 0 449.577 2.518 50 0 IFAARN COc1cccc(CNC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1 ZINC000067255246 569466017 /nfs/dbraw/zinc/46/60/17/569466017.db2.gz ZUHLYMINFZWDNM-UHFFFAOYSA-N 0 0 440.521 2.623 50 0 IFAARN O=c1nc2nc(NCc3cc(F)cc(F)c3)[nH]cc-2c(=O)n1-c1ccc2c(c1)OCO2 ZINC000067261565 569466530 /nfs/dbraw/zinc/46/65/30/569466530.db2.gz WMUUTGQBWPTQDQ-UHFFFAOYSA-N 0 0 425.351 2.500 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3N3C(=O)CSC3=O)[nH]n2)c1 ZINC000038679692 569466626 /nfs/dbraw/zinc/46/66/26/569466626.db2.gz ZLLWAYISKRMZOW-RHSMWYFYSA-N 0 0 444.513 2.830 50 0 IFAARN O=C(CSc1nc2ccccc2o1)N1CCN(CCNC(=O)c2cccs2)CC1 ZINC000038680579 569466739 /nfs/dbraw/zinc/46/67/39/569466739.db2.gz IPMJVUDCEKFAKW-UHFFFAOYSA-N 0 0 430.555 2.556 50 0 IFAARN CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000067286192 569466854 /nfs/dbraw/zinc/46/68/54/569466854.db2.gz FATRTIHZBNQUKD-MRXNPFEDSA-N 0 0 440.363 2.669 50 0 IFAARN Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2ccc(Br)cc2)c(=O)c1=O ZINC000067320321 569468642 /nfs/dbraw/zinc/46/86/42/569468642.db2.gz NLQMQWLUSIJONC-UHFFFAOYSA-N 0 0 432.249 2.848 50 0 IFAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1CCO ZINC000067301664 569468302 /nfs/dbraw/zinc/46/83/02/569468302.db2.gz SCIBRQARZOYNFZ-UHFFFAOYSA-N 0 0 429.879 2.862 50 0 IFAARN COc1cccc2cc(C(=O)N3CCN(C(=O)[C@@H]4C[C@@H]4c4cccs4)CC3)c(=O)oc21 ZINC000038730702 569468356 /nfs/dbraw/zinc/46/83/56/569468356.db2.gz QINHOPIEUKLPGW-JKSUJKDBSA-N 0 0 438.505 2.951 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)NCc4cccc(Cl)c4)c(=O)n3c(C)n2)cc1 ZINC000067319397 569468548 /nfs/dbraw/zinc/46/85/48/569468548.db2.gz QHDXDJSFOYOJGX-UHFFFAOYSA-N 0 0 437.887 2.845 50 0 IFAARN Cc1cc(C)n(CC(=O)NCc2ccccc2F)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000067319646 569468555 /nfs/dbraw/zinc/46/85/55/569468555.db2.gz WJSHRKANVKNIHW-UHFFFAOYSA-N 0 0 428.485 2.753 50 0 IFAARN Cc1nc(-c2ccc(F)cc2)n(CC(=O)NCc2cccc(Cl)c2)c(=O)c1CCO ZINC000067321141 569468625 /nfs/dbraw/zinc/46/86/25/569468625.db2.gz BXZWLKHMAWKTRD-UHFFFAOYSA-N 0 0 429.879 2.862 50 0 IFAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C(=O)OC)cc2)c1C ZINC000067322766 569468732 /nfs/dbraw/zinc/46/87/32/569468732.db2.gz XEJJIUMYXWHFIY-UHFFFAOYSA-N 0 0 437.456 2.663 50 0 IFAARN Cc1cnc2n(c1=O)[C@H](CC(=O)NCc1cc(-c3ccc4c(c3)O[C@@H](C)C4)on1)CS2 ZINC000038755199 569468834 /nfs/dbraw/zinc/46/88/34/569468834.db2.gz RUAZTLGRLPVARR-SUMWQHHRSA-N 0 0 438.509 2.883 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(OC)c1 ZINC000038834681 569469220 /nfs/dbraw/zinc/46/92/20/569469220.db2.gz BRKQKBLFORARTD-KRWDZBQOSA-N 0 0 440.905 2.913 50 0 IFAARN CCOc1ccccc1CNC(=O)c1cnc2sc(N3CCC(C)CC3)nn2c1=O ZINC000008603020 569469354 /nfs/dbraw/zinc/46/93/54/569469354.db2.gz DEYQSRGWRGKMDH-UHFFFAOYSA-N 0 0 427.530 2.716 50 0 IFAARN CN(CC(=O)OCC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008632090 569469544 /nfs/dbraw/zinc/46/95/44/569469544.db2.gz HHLDUHYVEQFFOA-UHFFFAOYSA-N 0 0 431.297 2.796 50 0 IFAARN COC(=O)CNC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000008642249 569469576 /nfs/dbraw/zinc/46/95/76/569469576.db2.gz JMNWERPYFXGTQI-HXUWFJFHSA-N 0 0 442.512 2.991 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 ZINC000008650149 569469693 /nfs/dbraw/zinc/46/96/93/569469693.db2.gz MZVVCLQSZTYCIV-UHFFFAOYSA-N 0 0 443.525 2.841 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000008661242 569469813 /nfs/dbraw/zinc/46/98/13/569469813.db2.gz XKPRXESUAWCUDY-QGZVFWFLSA-N 0 0 444.534 2.683 50 0 IFAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@@H]1c1ccc(O)cc1 ZINC000008667647 569469956 /nfs/dbraw/zinc/46/99/56/569469956.db2.gz YNNOFDLJUSZSFF-OAQYLSRUSA-N 0 0 435.484 2.845 50 0 IFAARN CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@@H]1C ZINC000008718569 569471300 /nfs/dbraw/zinc/47/13/00/569471300.db2.gz YRKKQKUSBSUXPP-LLVKDONJSA-N 0 0 442.476 2.565 50 0 IFAARN O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000008718573 569471323 /nfs/dbraw/zinc/47/13/23/569471323.db2.gz MQVBCAFTOMIWTN-UHFFFAOYSA-N 0 0 447.919 2.981 50 0 IFAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000008720653 569471631 /nfs/dbraw/zinc/47/16/31/569471631.db2.gz UXTSLPCJNUYOII-CYBMUJFWSA-N 0 0 435.527 2.714 50 0 IFAARN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCNC2=O)cc1 ZINC000008720801 569471650 /nfs/dbraw/zinc/47/16/50/569471650.db2.gz TUMAMNRVHQGXPF-UHFFFAOYSA-N 0 0 437.525 2.901 50 0 IFAARN Cc1ccc(-c2nnc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)o2)cc1C ZINC000008723707 569471896 /nfs/dbraw/zinc/47/18/96/569471896.db2.gz ZNIKCNVTRHTXPK-UHFFFAOYSA-N 0 0 428.514 2.633 50 0 IFAARN O=C(NCc1cn2ccccc2n1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000008724472 569472018 /nfs/dbraw/zinc/47/20/18/569472018.db2.gz JWCNZAALOQJXIP-UHFFFAOYSA-N 0 0 426.523 2.804 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 ZINC000008724510 569472037 /nfs/dbraw/zinc/47/20/37/569472037.db2.gz LRLXPRDKLZVGOU-ZIAGYGMSSA-N 0 0 447.942 2.752 50 0 IFAARN CN(Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000008724956 569472050 /nfs/dbraw/zinc/47/20/50/569472050.db2.gz RFACFKVXOKYZFL-UHFFFAOYSA-N 0 0 437.931 2.767 50 0 IFAARN CCCCn1c2nc(CSc3nnc(-c4cccc(C)c4)n3C)n(C)c2c(=O)[nH]c1=O ZINC000008725189 569472086 /nfs/dbraw/zinc/47/20/86/569472086.db2.gz CKKSQIMFMQHXBV-UHFFFAOYSA-N 0 0 439.545 2.620 50 0 IFAARN O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccccc1-n1cnnn1 ZINC000008728499 569472398 /nfs/dbraw/zinc/47/23/98/569472398.db2.gz QDLHVBOEGDNWHD-UHFFFAOYSA-N 0 0 430.449 2.984 50 0 IFAARN CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000008749697 569473277 /nfs/dbraw/zinc/47/32/77/569473277.db2.gz LRWFBKKMDUFHEA-MRXNPFEDSA-N 0 0 440.550 2.868 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000008764215 569474572 /nfs/dbraw/zinc/47/45/72/569474572.db2.gz JLGRAVVWNHTBJG-ZDUSSCGKSA-N 0 0 427.457 2.527 50 0 IFAARN C[C@]1(CSc2ccccc2C(=O)Nc2ccc3c(c2)OCCCO3)NC(=O)NC1=O ZINC000008778399 569475425 /nfs/dbraw/zinc/47/54/25/569475425.db2.gz VEAOUOMSCGHJAS-OAQYLSRUSA-N 0 0 427.482 2.790 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1C ZINC000008824375 569477179 /nfs/dbraw/zinc/47/71/79/569477179.db2.gz LMWRDWIXCZKOPE-GFCCVEGCSA-N 0 0 442.390 2.803 50 0 IFAARN COc1ccc(CN2c3ccc(C)cc3[C@]3(SC(NC(C)=O)=NN3C(C)=O)C2=O)cc1 ZINC000008843700 569478454 /nfs/dbraw/zinc/47/84/54/569478454.db2.gz UZVVHZJQBVHWMY-QFIPXVFZSA-N 0 0 438.509 2.706 50 0 IFAARN CCOc1ccccc1CN1c2ccccc2[C@]2(SC(NC(C)=O)=NN2C(C)=O)C1=O ZINC000008843720 569478544 /nfs/dbraw/zinc/47/85/44/569478544.db2.gz OBLPHFXFPBSWCN-QFIPXVFZSA-N 0 0 438.509 2.787 50 0 IFAARN CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@]12c1ccccc1N(C)C2=O ZINC000008845621 569478826 /nfs/dbraw/zinc/47/88/26/569478826.db2.gz RPDPIPLXCLHSSR-XMMPIXPASA-N 0 0 432.480 2.885 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)cc1 ZINC000008848419 569479170 /nfs/dbraw/zinc/47/91/70/569479170.db2.gz KEAOSBYUYYAFED-XMMPIXPASA-N 0 0 448.479 2.605 50 0 IFAARN O=C(CCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc2c(c1)OCCCO2 ZINC000008849538 569479259 /nfs/dbraw/zinc/47/92/59/569479259.db2.gz WARYALOKBDJLCH-UHFFFAOYSA-N 0 0 428.510 2.857 50 0 IFAARN CSc1ncc(Cl)c(C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000008868132 569480315 /nfs/dbraw/zinc/48/03/15/569480315.db2.gz WOGCLNGOVQLFGQ-ZDUSSCGKSA-N 0 0 429.926 2.821 50 0 IFAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccc(-n4cnnn4)cc3)n2)cc1 ZINC000008878770 569481324 /nfs/dbraw/zinc/48/13/24/569481324.db2.gz QLPPMYIIEPWMTF-UHFFFAOYSA-N 0 0 433.497 2.717 50 0 IFAARN O=c1c2cnc(N3CCN(c4ccccc4)CC3)nc2ccn1Cc1ccc2c(c1)OCO2 ZINC000039383801 569481584 /nfs/dbraw/zinc/48/15/84/569481584.db2.gz NFSCWGHRWGFVFW-UHFFFAOYSA-N 0 0 441.491 2.895 50 0 IFAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000039477071 569481673 /nfs/dbraw/zinc/48/16/73/569481673.db2.gz CTFNHEJCTVHXBD-UHFFFAOYSA-N 0 0 446.406 2.757 50 0 IFAARN COc1cc2c(cc1OC)[C@]1(Nn3c(nc4ccccc4c3=O)C2)c2ccccc2NC1=O ZINC000039930101 569481978 /nfs/dbraw/zinc/48/19/78/569481978.db2.gz OQGWPEPOKCNVFX-RUZDIDTESA-N 0 0 440.459 2.757 50 0 IFAARN CN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)S(=O)(=O)c1cccs1 ZINC000039975748 569482119 /nfs/dbraw/zinc/48/21/19/569482119.db2.gz KIFFLYZFZQBESG-INIZCTEOSA-N 0 0 436.555 2.894 50 0 IFAARN COc1cc(-c2nnc(COC(=O)c3ccccc3S(C)(=O)=O)o2)cc(OC)c1OC ZINC000039964472 569482131 /nfs/dbraw/zinc/48/21/31/569482131.db2.gz YDYCXQSYIWCCSJ-UHFFFAOYSA-N 0 0 448.453 2.523 50 0 IFAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N(Cc2ccco2)CC(F)(F)F)c1 ZINC000039972288 569482151 /nfs/dbraw/zinc/48/21/51/569482151.db2.gz YIFIDFCJWHIUOO-UHFFFAOYSA-N 0 0 435.376 2.606 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000039983778 569482349 /nfs/dbraw/zinc/48/23/49/569482349.db2.gz JNHVUDDTVNNTMX-ZIAGYGMSSA-N 0 0 448.472 2.659 50 0 IFAARN O=S(=O)(c1ccccc1CNC(=S)Nc1ccccc1Cl)N1CCOCC1 ZINC000040024714 569482836 /nfs/dbraw/zinc/48/28/36/569482836.db2.gz MGTTVXQMGZYITD-UHFFFAOYSA-N 0 0 425.963 2.848 50 0 IFAARN Cc1c(=O)c2cccc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c2oc1-c1ccccc1 ZINC000040030589 569483051 /nfs/dbraw/zinc/48/30/51/569483051.db2.gz AOBNZYFVYJHZFW-UHFFFAOYSA-N 0 0 440.521 2.922 50 0 IFAARN O=C(COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)NC(=O)NC1CCCCC1 ZINC000008883520 569483071 /nfs/dbraw/zinc/48/30/71/569483071.db2.gz BUTMDDQFNMXNMD-UHFFFAOYSA-N 0 0 437.496 2.785 50 0 IFAARN Cc1ccccc1-c1nnn(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)n1 ZINC000040032242 569483093 /nfs/dbraw/zinc/48/30/93/569483093.db2.gz BSDSLYNCMPIONA-INIZCTEOSA-N 0 0 430.390 2.955 50 0 IFAARN Cc1ccccc1-c1nnn(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)n1 ZINC000040032240 569483119 /nfs/dbraw/zinc/48/31/19/569483119.db2.gz BSDSLYNCMPIONA-MRXNPFEDSA-N 0 0 430.390 2.955 50 0 IFAARN O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1C[C@H](O)c1ccccc1 ZINC000040034344 569483227 /nfs/dbraw/zinc/48/32/27/569483227.db2.gz ZQAIGZSIAVRORW-NRFANRHFSA-N 0 0 442.475 2.783 50 0 IFAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2n1CCC2)c1ccc(F)cc1 ZINC000040037547 569483270 /nfs/dbraw/zinc/48/32/70/569483270.db2.gz UYNVKGWNIDFWLK-HXUWFJFHSA-N 0 0 446.486 2.502 50 0 IFAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccc(-n2cccn2)nc1 ZINC000040040741 569483520 /nfs/dbraw/zinc/48/35/20/569483520.db2.gz ZOVZKKMJQZVGCG-UHFFFAOYSA-N 0 0 434.525 2.624 50 0 IFAARN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 ZINC000008898099 569483970 /nfs/dbraw/zinc/48/39/70/569483970.db2.gz DUHGFCNQSWNZPN-MRXNPFEDSA-N 0 0 426.502 2.757 50 0 IFAARN Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000008898392 569483993 /nfs/dbraw/zinc/48/39/93/569483993.db2.gz QAVKTSMWIPODSW-UHFFFAOYSA-N 0 0 433.584 2.847 50 0 IFAARN Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1C1CC1 ZINC000008900400 569484079 /nfs/dbraw/zinc/48/40/79/569484079.db2.gz ALMBIQIVMGVEPI-ZDUSSCGKSA-N 0 0 435.575 2.825 50 0 IFAARN CC(=O)c1cccc(OC[C@H](O)Cn2c(C[C@@H]3CCS(=O)(=O)C3)nc3ccccc32)c1 ZINC000040050650 569484239 /nfs/dbraw/zinc/48/42/39/569484239.db2.gz VCNFEASNCDQVJS-PKOBYXMFSA-N 0 0 442.537 2.656 50 0 IFAARN O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000040052206 569484552 /nfs/dbraw/zinc/48/45/52/569484552.db2.gz FOIMAVGVVQREIB-RBUKOAKNSA-N 0 0 427.501 2.734 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)CN2C(=O)c4ccccc4C2=O)CSC3)cc1 ZINC000008909766 569484717 /nfs/dbraw/zinc/48/47/17/569484717.db2.gz GTOCDRIYTRWRMN-UHFFFAOYSA-N 0 0 434.477 2.862 50 0 IFAARN COc1ccccc1CNC(=O)c1ccc(CNc2c(=O)c(=O)c2N2CCCCC2)cc1 ZINC000008912319 569484991 /nfs/dbraw/zinc/48/49/91/569484991.db2.gz UDLRWKGRWHMMPQ-UHFFFAOYSA-N 0 0 433.508 2.824 50 0 IFAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)c(OC)c1 ZINC000008912553 569484999 /nfs/dbraw/zinc/48/49/99/569484999.db2.gz AZTBGURDHUCCPH-UHFFFAOYSA-N 0 0 435.527 2.881 50 0 IFAARN Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2NCCCOC(C)C)cc1 ZINC000008912340 569485030 /nfs/dbraw/zinc/48/50/30/569485030.db2.gz YYQGZFQRSCMUDH-UHFFFAOYSA-N 0 0 432.589 2.915 50 0 IFAARN COc1ccc(CCNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)cc1OC ZINC000008912624 569485070 /nfs/dbraw/zinc/48/50/70/569485070.db2.gz NIVIOEBSLHEOFK-KRWDZBQOSA-N 0 0 441.557 2.921 50 0 IFAARN CCCCCN(Cc1ccc(F)cc1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000040072303 569485827 /nfs/dbraw/zinc/48/58/27/569485827.db2.gz MAOKSGLQOIUPKI-UHFFFAOYSA-N 0 0 426.286 2.657 50 0 IFAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000040071957 569485867 /nfs/dbraw/zinc/48/58/67/569485867.db2.gz NBHFAMUGCIIAKD-RUZDIDTESA-N 0 0 449.507 2.805 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1 ZINC000040072314 569485872 /nfs/dbraw/zinc/48/58/72/569485872.db2.gz IRKMHCJRUXAYNH-UHFFFAOYSA-N 0 0 433.618 2.761 50 0 IFAARN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000040071664 569485875 /nfs/dbraw/zinc/48/58/75/569485875.db2.gz RETFYMYXFXCULV-GFCCVEGCSA-N 0 0 449.433 2.607 50 0 IFAARN CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000008917062 569485923 /nfs/dbraw/zinc/48/59/23/569485923.db2.gz OWQGUVWYYAEYSY-QRWLVFNGSA-N 0 0 439.489 2.924 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCc2sccc2[C@@H]1C1CC1 ZINC000008918752 569486328 /nfs/dbraw/zinc/48/63/28/569486328.db2.gz KTPXUXSKFCJRIH-NRFANRHFSA-N 0 0 449.598 2.955 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(-n4cccc4)cc3)CC2)cc1 ZINC000040074808 569486347 /nfs/dbraw/zinc/48/63/47/569486347.db2.gz OAIXWXVVTOKISG-UHFFFAOYSA-N 0 0 439.537 2.562 50 0 IFAARN CCN(CC(=O)NC(C)C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000040087372 569486750 /nfs/dbraw/zinc/48/67/50/569486750.db2.gz BRQAOHPTEZYQRZ-OAHLLOKOSA-N 0 0 425.476 2.513 50 0 IFAARN Cn1c2nc(OCc3ccco3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000008926169 569487235 /nfs/dbraw/zinc/48/72/35/569487235.db2.gz YBIDBWIKZOVJKG-UHFFFAOYSA-N 0 0 435.267 2.961 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc(N3C(=O)CCCC3=O)cc2)c1 ZINC000040092776 569487473 /nfs/dbraw/zinc/48/74/73/569487473.db2.gz WDKUAVDXBULPCD-UHFFFAOYSA-N 0 0 446.554 2.789 50 0 IFAARN CN(C)S(=O)(=O)c1cc(NC(=O)N2CCN(Cc3ccco3)CC2)ccc1Cl ZINC000040097278 569487571 /nfs/dbraw/zinc/48/75/71/569487571.db2.gz RVPZLIQPANODOY-UHFFFAOYSA-N 0 0 426.926 2.533 50 0 IFAARN O=C(CN1CCN(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1)N1CCCC1 ZINC000040104330 569488186 /nfs/dbraw/zinc/48/81/86/569488186.db2.gz TVELURMGDCEFEL-UHFFFAOYSA-N 0 0 428.533 2.890 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1CCCO)NC(=O)NCCC1=CCCCC1 ZINC000008942845 569488726 /nfs/dbraw/zinc/48/87/26/569488726.db2.gz AGAIUOYOPBLDFJ-UHFFFAOYSA-N 0 0 444.557 2.587 50 0 IFAARN O=S(=O)(c1ccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1)N1CCCC1 ZINC000040119926 569489420 /nfs/dbraw/zinc/48/94/20/569489420.db2.gz KFFKMNICQBPMHP-UHFFFAOYSA-N 0 0 444.479 2.800 50 0 IFAARN O=C(NCc1ccc(N2CCCCC2)nc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000040121461 569489578 /nfs/dbraw/zinc/48/95/78/569489578.db2.gz LREUPOPXFFIVRH-OAQYLSRUSA-N 0 0 442.585 2.932 50 0 IFAARN CN(C)C(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC000040128714 569489744 /nfs/dbraw/zinc/48/97/44/569489744.db2.gz VRXGULJANMXPBJ-UHFFFAOYSA-N 0 0 428.455 2.874 50 0 IFAARN Cc1c2cccc(F)c2oc1C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000040135093 569490623 /nfs/dbraw/zinc/49/06/23/569490623.db2.gz SKMOZVGADVUOLA-UHFFFAOYSA-N 0 0 427.457 2.787 50 0 IFAARN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000040135676 569490736 /nfs/dbraw/zinc/49/07/36/569490736.db2.gz MURZPZTYTNPTLQ-HIFRSBDPSA-N 0 0 435.933 2.867 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)C1 ZINC000008965153 569491337 /nfs/dbraw/zinc/49/13/37/569491337.db2.gz IXAQCWPXSWJUDU-GOSISDBHSA-N 0 0 436.512 2.606 50 0 IFAARN C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 ZINC000008966087 569491643 /nfs/dbraw/zinc/49/16/43/569491643.db2.gz YQCDHCCZEURKEF-INIZCTEOSA-N 0 0 434.496 2.981 50 0 IFAARN Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000008966260 569491729 /nfs/dbraw/zinc/49/17/29/569491729.db2.gz QKNBKQUCZPMWLR-UHFFFAOYSA-N 0 0 432.509 2.776 50 0 IFAARN COc1ccc(-c2nc(CN3CCN(C(=O)CCCn4cncn4)CC3)cs2)cc1 ZINC000040145220 569492064 /nfs/dbraw/zinc/49/20/64/569492064.db2.gz GRYPTDSOLLMWSK-UHFFFAOYSA-N 0 0 426.546 2.535 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4nccnc4c3)CC2)cc1 ZINC000040146237 569492239 /nfs/dbraw/zinc/49/22/39/569492239.db2.gz IHPSOQILPOAJJM-UHFFFAOYSA-N 0 0 438.509 2.872 50 0 IFAARN Cn1c(=O)n(C)n(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc2)c1=O ZINC000040146616 569492268 /nfs/dbraw/zinc/49/22/68/569492268.db2.gz SZISXYMDIIONQK-QFIPXVFZSA-N 0 0 428.492 2.589 50 0 IFAARN CN(CC(=O)NCc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000008972115 569492833 /nfs/dbraw/zinc/49/28/33/569492833.db2.gz GXEWUXZKGYFVCB-UHFFFAOYSA-N 0 0 436.493 2.827 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCC(C)C)CC2)c1 ZINC000040151665 569493260 /nfs/dbraw/zinc/49/32/60/569493260.db2.gz MNUPETZIZHSNPF-UHFFFAOYSA-N 0 0 437.606 2.732 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2csc(Cc3ccccc3)n2)CC1 ZINC000040153368 569493591 /nfs/dbraw/zinc/49/35/91/569493591.db2.gz MSYNYPATQJOREJ-UHFFFAOYSA-N 0 0 432.571 2.845 50 0 IFAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1 ZINC000040153504 569493620 /nfs/dbraw/zinc/49/36/20/569493620.db2.gz CWIUWPDTHBISLB-UHFFFAOYSA-N 0 0 429.546 2.730 50 0 IFAARN Cc1noc([C@H]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)C2)n1 ZINC000040156235 569494087 /nfs/dbraw/zinc/49/40/87/569494087.db2.gz VTQVEILARUYBTG-IBGZPJMESA-N 0 0 446.573 2.802 50 0 IFAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000040161510 569495188 /nfs/dbraw/zinc/49/51/88/569495188.db2.gz DGRKSDUNONBGIQ-INIZCTEOSA-N 0 0 442.459 2.852 50 0 IFAARN C=C1c2cc3c(cc2CCN1C(=O)c1cccc(S(=O)(=O)N(C)C)c1)OCCCO3 ZINC000008994696 569495553 /nfs/dbraw/zinc/49/55/53/569495553.db2.gz FBKAADIITKFZSV-UHFFFAOYSA-N 0 0 428.510 2.767 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2cccnc2c(=O)n(Cc2ccccn2)c1=O ZINC000009000977 569495946 /nfs/dbraw/zinc/49/59/46/569495946.db2.gz CULQIJDEIDRDPX-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN Cc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)cc1Cl ZINC000009001053 569495960 /nfs/dbraw/zinc/49/59/60/569495960.db2.gz HMTBIOUZFKEHAF-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccncc2)c1=O)c1ccc2c(c1)CCCC2 ZINC000009001500 569496002 /nfs/dbraw/zinc/49/60/02/569496002.db2.gz IZQFFDHGSVQEBR-UHFFFAOYSA-N 0 0 426.476 2.763 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)cc1 ZINC000009005285 569496097 /nfs/dbraw/zinc/49/60/97/569496097.db2.gz HEGPVUKPHYLKFC-FQEVSTJZSA-N 0 0 432.523 2.584 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1 ZINC000009005358 569496118 /nfs/dbraw/zinc/49/61/18/569496118.db2.gz PFRDRMPZDPFLTG-OAQYLSRUSA-N 0 0 446.550 2.892 50 0 IFAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccccc2)c2cccnc2)cc1 ZINC000009006549 569496132 /nfs/dbraw/zinc/49/61/32/569496132.db2.gz LAQRAPRIEHSZAP-NRFANRHFSA-N 0 0 426.494 2.800 50 0 IFAARN O=C(NCCn1ncc2c1ncn(Cc1cccc(F)c1)c2=O)c1ccc(Cl)cc1 ZINC000009016660 569496825 /nfs/dbraw/zinc/49/68/25/569496825.db2.gz XRALQYZGBSMFFT-UHFFFAOYSA-N 0 0 425.851 2.864 50 0 IFAARN COCc1nnc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC(C)C)s1 ZINC000040267422 569497386 /nfs/dbraw/zinc/49/73/86/569497386.db2.gz YDIQKDXORNALFF-NRFANRHFSA-N 0 0 443.529 2.648 50 0 IFAARN O=C1C[C@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc2c(c1)OCO2 ZINC000009037508 569497412 /nfs/dbraw/zinc/49/74/12/569497412.db2.gz NGBSVAMPOFQUDT-GFCCVEGCSA-N 0 0 442.415 2.766 50 0 IFAARN COc1ccc(CCNC(=O)Cn2cnc3c4cc(C)c(C)nc4oc3c2=O)cc1OC ZINC000040287736 569498288 /nfs/dbraw/zinc/49/82/88/569498288.db2.gz VYNWIJXJDWJCHP-UHFFFAOYSA-N 0 0 436.468 2.531 50 0 IFAARN O=C(CSc1nc[nH]n1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000009056370 569499060 /nfs/dbraw/zinc/49/90/60/569499060.db2.gz UCPMJYRCIDMDLU-UHFFFAOYSA-N 0 0 429.955 2.754 50 0 IFAARN CC1=NN(Cc2ccccc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1 ZINC000009060195 569499405 /nfs/dbraw/zinc/49/94/05/569499405.db2.gz CCUQGCCOXIQHSM-UHFFFAOYSA-N 0 0 428.496 2.536 50 0 IFAARN COCCN1C(=S)N(c2cc(C(F)(F)F)ccc2Cl)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000009061180 569499624 /nfs/dbraw/zinc/49/96/24/569499624.db2.gz HQBOKXDQAJGRPX-QWHCGFSZSA-N 0 0 428.885 2.578 50 0 IFAARN COc1cccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(CCc3ccc(F)cc3)C2=O)c1 ZINC000009088615 569500918 /nfs/dbraw/zinc/50/09/18/569500918.db2.gz HWWDHIKLRMCRPX-IBGZPJMESA-N 0 0 439.365 2.822 50 0 IFAARN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000069328002 569501016 /nfs/dbraw/zinc/50/10/16/569501016.db2.gz KZQHEQYHSAGSSY-GFCCVEGCSA-N 0 0 438.297 2.781 50 0 IFAARN C[C@@H]1CCC[C@H](N(C)C(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)[C@H]1C ZINC000245257634 569501604 /nfs/dbraw/zinc/50/16/04/569501604.db2.gz AUBWPDKSHPEXHX-RYRKJORJSA-N 0 0 449.573 2.662 50 0 IFAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000009103896 569501769 /nfs/dbraw/zinc/50/17/69/569501769.db2.gz CJQLINDQZHBEMD-KGLIPLIRSA-N 0 0 429.498 2.839 50 0 IFAARN C[C@H]1Cn2c3c(nc2N(Cc2ccccc2)C1)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000009110978 569502260 /nfs/dbraw/zinc/50/22/60/569502260.db2.gz YKOKKAPTWNMNSN-GOSISDBHSA-N 0 0 429.524 2.796 50 0 IFAARN CCOc1ccc(CCNC(=O)Cn2c(=O)c3cccn3c3cccnc32)cc1OCC ZINC000009114967 569502651 /nfs/dbraw/zinc/50/26/51/569502651.db2.gz ZKBRVYDLKTXRMH-UHFFFAOYSA-N 0 0 434.496 2.806 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000009115774 569502834 /nfs/dbraw/zinc/50/28/34/569502834.db2.gz CRYZKTCUHJBQSC-UHFFFAOYSA-N 0 0 437.547 2.720 50 0 IFAARN CC(C)N(C(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1 ZINC000009117639 569503164 /nfs/dbraw/zinc/50/31/64/569503164.db2.gz NJUVXGFNMMEVAY-UHFFFAOYSA-N 0 0 435.571 2.636 50 0 IFAARN CCOC(=O)c1sc2ncn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)c2c1C ZINC000009124852 569504408 /nfs/dbraw/zinc/50/44/08/569504408.db2.gz PVGALRNBPBROKI-UHFFFAOYSA-N 0 0 433.917 2.955 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000009126444 569504918 /nfs/dbraw/zinc/50/49/18/569504918.db2.gz PBQWMFXDZLLWIW-KRWDZBQOSA-N 0 0 445.585 2.635 50 0 IFAARN COc1cccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2CCc2ccccc2)c1 ZINC000009126723 569505011 /nfs/dbraw/zinc/50/50/11/569505011.db2.gz DQGBNFXMSLPMAL-UHFFFAOYSA-N 0 0 429.480 2.605 50 0 IFAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000009127504 569505197 /nfs/dbraw/zinc/50/51/97/569505197.db2.gz FBHHPRSFNZBVMK-UHFFFAOYSA-N 0 0 437.949 3.000 50 0 IFAARN CCc1ccc2c(COC(=O)CCNC3=NS(=O)(=O)c4ccccc43)cc(=O)oc2c1 ZINC000009128306 569505372 /nfs/dbraw/zinc/50/53/72/569505372.db2.gz OYNPIEKBBXOARC-UHFFFAOYSA-N 0 0 440.477 2.527 50 0 IFAARN CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1C ZINC000009128601 569505460 /nfs/dbraw/zinc/50/54/60/569505460.db2.gz NPPSJTYVTMYMRZ-ZDUSSCGKSA-N 0 0 430.482 2.996 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009128898 569505553 /nfs/dbraw/zinc/50/55/53/569505553.db2.gz SLIDLXQIQRCBRI-KRWDZBQOSA-N 0 0 442.537 2.996 50 0 IFAARN COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4cccc(F)c4N4CCC[C@@H]43)C2=O)cc1 ZINC000009128986 569505624 /nfs/dbraw/zinc/50/56/24/569505624.db2.gz SAIOMVGMCIZMNJ-NTKDMRAZSA-N 0 0 437.471 2.667 50 0 IFAARN O=C(CCNC(=O)c1ccccc1)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 ZINC000009129323 569505686 /nfs/dbraw/zinc/50/56/86/569505686.db2.gz UWNSVPHHPMQWMH-UHFFFAOYSA-N 0 0 425.798 2.838 50 0 IFAARN CCOC(=O)C1=C(COC(=O)CSc2cc(C)c3ccccc3n2)NC(=O)N[C@H]1C ZINC000009130810 569506163 /nfs/dbraw/zinc/50/61/63/569506163.db2.gz FLFRHAYYGUZHQB-ZDUSSCGKSA-N 0 0 429.498 2.697 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000009151648 569507553 /nfs/dbraw/zinc/50/75/53/569507553.db2.gz KLBRNTHQJIAXOS-NSHDSACASA-N 0 0 438.889 2.871 50 0 IFAARN C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1c(F)cccc1Cl ZINC000009154450 569508190 /nfs/dbraw/zinc/50/81/90/569508190.db2.gz TXONSEISCRLNRH-HWPZZCPQSA-N 0 0 436.288 2.904 50 0 IFAARN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Cc1ccsc1 ZINC000009156200 569508336 /nfs/dbraw/zinc/50/83/36/569508336.db2.gz PKRQJPMCBGDGEC-UHFFFAOYSA-N 0 0 443.594 2.866 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C ZINC000009156205 569508378 /nfs/dbraw/zinc/50/83/78/569508378.db2.gz KMZJDGOYMQWGMJ-CYBMUJFWSA-N 0 0 438.553 2.955 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CNc1cc(OC)c(OC)cc1C ZINC000009157241 569508435 /nfs/dbraw/zinc/50/84/35/569508435.db2.gz XENAIKZDQSJMAU-UHFFFAOYSA-N 0 0 449.529 2.969 50 0 IFAARN O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009184537 569509914 /nfs/dbraw/zinc/50/99/14/569509914.db2.gz STKUEEGDUXCSPB-MRXNPFEDSA-N 0 0 445.516 2.992 50 0 IFAARN COC(=O)[C@@H](C)Oc1ccc(Oc2nc(Nc3ccc(C)cc3)nc(N(C)C)n2)nn1 ZINC000009185257 569510072 /nfs/dbraw/zinc/51/00/72/569510072.db2.gz ZJUIWDHHHOGGGZ-CYBMUJFWSA-N 0 0 425.449 2.512 50 0 IFAARN COC(=O)[C@H](C)Oc1ccc(Oc2nc(Nc3ccc(C)cc3)nc(N(C)C)n2)nn1 ZINC000009185256 569510085 /nfs/dbraw/zinc/51/00/85/569510085.db2.gz ZJUIWDHHHOGGGZ-ZDUSSCGKSA-N 0 0 425.449 2.512 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)C2CCCCC2)cc1Cl ZINC000009191323 569510623 /nfs/dbraw/zinc/51/06/23/569510623.db2.gz SWTMUNWUTGVAPK-INIZCTEOSA-N 0 0 444.981 2.967 50 0 IFAARN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 ZINC000009192607 569510775 /nfs/dbraw/zinc/51/07/75/569510775.db2.gz XVDOASVOZWTBDT-UHFFFAOYSA-N 0 0 449.548 2.550 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(F)cc1 ZINC000009198862 569511107 /nfs/dbraw/zinc/51/11/07/569511107.db2.gz FQNDKDGHYPPWOP-HXUWFJFHSA-N 0 0 442.516 2.863 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 ZINC000009206853 569511379 /nfs/dbraw/zinc/51/13/79/569511379.db2.gz UWBXLNCGDWTCME-GFCCVEGCSA-N 0 0 426.498 2.793 50 0 IFAARN COc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(OC)c(C)c2)cc1 ZINC000009210778 569511726 /nfs/dbraw/zinc/51/17/26/569511726.db2.gz GZCOLQSHPLAWEP-UHFFFAOYSA-N 0 0 445.479 2.668 50 0 IFAARN O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000009211488 569511760 /nfs/dbraw/zinc/51/17/60/569511760.db2.gz JOZAOOLXRVKQDF-UHFFFAOYSA-N 0 0 425.441 2.860 50 0 IFAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)cc1OC ZINC000009216105 569512112 /nfs/dbraw/zinc/51/21/12/569512112.db2.gz UEWMNFOWKUJGHP-PWDRBQJJSA-N 0 0 434.514 2.504 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)n1 ZINC000009216786 569512188 /nfs/dbraw/zinc/51/21/88/569512188.db2.gz LWZWPWBYTDLLHM-QHCPKHFHSA-N 0 0 431.500 2.949 50 0 IFAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NC4CC4)c3)cc2NC1=O ZINC000009217160 569512285 /nfs/dbraw/zinc/51/22/85/569512285.db2.gz AHNBOUTXCYABJP-SNVBAGLBSA-N 0 0 435.889 2.752 50 0 IFAARN CCOc1cc(N[C@@H](C)C(=O)NC(=O)NC)c(OCC)cc1NC(=O)c1ccccc1 ZINC000009220412 569512545 /nfs/dbraw/zinc/51/25/45/569512545.db2.gz WTRDIBWIILOISE-AWEZNQCLSA-N 0 0 428.489 2.992 50 0 IFAARN CCc1ccccc1N1C[C@@H](C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000009222671 569512772 /nfs/dbraw/zinc/51/27/72/569512772.db2.gz FPLXZQINUWOZHA-SFTDATJTSA-N 0 0 440.565 2.818 50 0 IFAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)Nc1ccccc1F ZINC000009226135 569513210 /nfs/dbraw/zinc/51/32/10/569513210.db2.gz CTVDDRSOBLNWMZ-UHFFFAOYSA-N 0 0 441.440 2.826 50 0 IFAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N1CCc2ccccc21 ZINC000009226140 569513271 /nfs/dbraw/zinc/51/32/71/569513271.db2.gz IEAPUPDMPDQXJR-UHFFFAOYSA-N 0 0 449.488 2.638 50 0 IFAARN O=C([C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1)N1CCOCC1 ZINC000009238525 569514369 /nfs/dbraw/zinc/51/43/69/569514369.db2.gz ACZXBTYKWZKKES-QZTJIDSGSA-N 0 0 425.489 2.702 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000009244397 569515064 /nfs/dbraw/zinc/51/50/64/569515064.db2.gz GNQYJRYTCXNLQN-UHFFFAOYSA-N 0 0 437.901 2.709 50 0 IFAARN COc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2cccc(C)c2)cc1OC ZINC000009252573 569516019 /nfs/dbraw/zinc/51/60/19/569516019.db2.gz HTYYGUWZFWKJNA-RTWAWAEBSA-N 0 0 434.496 2.937 50 0 IFAARN CC(CNC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)(c1ccccc1)c1ccccc1 ZINC000009252744 569516095 /nfs/dbraw/zinc/51/60/95/569516095.db2.gz XLXVKVPGTQWRSM-UHFFFAOYSA-N 0 0 440.503 2.618 50 0 IFAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000009253163 569516123 /nfs/dbraw/zinc/51/61/23/569516123.db2.gz MVVLAHKMMLXRDI-NSHDSACASA-N 0 0 426.325 2.779 50 0 IFAARN O=C(COc1ccccc1C(=O)NCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000009253120 569516132 /nfs/dbraw/zinc/51/61/32/569516132.db2.gz OGYRBPMZDIHULP-UHFFFAOYSA-N 0 0 447.491 2.573 50 0 IFAARN COc1ccc(C(=O)Nn2cc3c(c2-c2ccc(Cl)cc2)c(=O)n(C)c(=O)n3C)cc1 ZINC000009253885 569516278 /nfs/dbraw/zinc/51/62/78/569516278.db2.gz CZPJNXMLCPGSIT-UHFFFAOYSA-N 0 0 438.871 2.752 50 0 IFAARN Cc1ccc(-c2csc(NC(=O)COC(=O)CCCCCNS(C)(=O)=O)n2)cc1 ZINC000009255534 569516565 /nfs/dbraw/zinc/51/65/65/569516565.db2.gz AWQBBYUZHVABQR-UHFFFAOYSA-N 0 0 439.559 2.710 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O ZINC000009255448 569516571 /nfs/dbraw/zinc/51/65/71/569516571.db2.gz ZNYCNXHQWXWVDM-DEOSSOPVSA-N 0 0 435.480 2.742 50 0 IFAARN COC(=O)c1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)cc1 ZINC000009260781 569516933 /nfs/dbraw/zinc/51/69/33/569516933.db2.gz LPYKVIVAACALSU-UHFFFAOYSA-N 0 0 439.497 2.514 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C)c2nnc(S[C@H](C)C(=O)Nc3nccs3)n2C)cc1 ZINC000009263349 569517169 /nfs/dbraw/zinc/51/71/69/569517169.db2.gz SJAQQUNFTXYADC-NWDGAFQWSA-N 0 0 446.558 2.891 50 0 IFAARN COc1ccc(C(=O)N[C@H](C)c2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)cc1 ZINC000009263348 569517172 /nfs/dbraw/zinc/51/71/72/569517172.db2.gz SJAQQUNFTXYADC-NEPJUHHUSA-N 0 0 446.558 2.891 50 0 IFAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)cc1 ZINC000009263699 569517188 /nfs/dbraw/zinc/51/71/88/569517188.db2.gz LSGARLFAKDENDV-UHFFFAOYSA-N 0 0 439.497 2.764 50 0 IFAARN COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1C ZINC000009263815 569517232 /nfs/dbraw/zinc/51/72/32/569517232.db2.gz LZIMQHMARZRZIG-UHFFFAOYSA-N 0 0 447.467 2.763 50 0 IFAARN Cn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000009263954 569517253 /nfs/dbraw/zinc/51/72/53/569517253.db2.gz XBGLTDQYGJDVFF-UHFFFAOYSA-N 0 0 440.916 2.927 50 0 IFAARN Cc1csc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccccc3F)n2C)n1 ZINC000009264007 569517273 /nfs/dbraw/zinc/51/72/73/569517273.db2.gz DDUJMNHFONGFFP-NSHDSACASA-N 0 0 434.522 2.768 50 0 IFAARN Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009263925 569517278 /nfs/dbraw/zinc/51/72/78/569517278.db2.gz AUFXSGDAABIWNS-UHFFFAOYSA-N 0 0 429.546 2.515 50 0 IFAARN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NCc1ccccn1 ZINC000009276472 569518468 /nfs/dbraw/zinc/51/84/68/569518468.db2.gz KACHMMLRMCNJQF-UHFFFAOYSA-N 0 0 426.542 2.917 50 0 IFAARN CCOc1ccc(-n2c(-c3ccc(F)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000009281273 569518532 /nfs/dbraw/zinc/51/85/32/569518532.db2.gz PMRNNBNZDBGXFV-UHFFFAOYSA-N 0 0 433.443 2.880 50 0 IFAARN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1ccc2c(c1)NC(=O)CS2 ZINC000009284073 569519004 /nfs/dbraw/zinc/51/90/04/569519004.db2.gz XQVLZJUUGMADHU-UHFFFAOYSA-N 0 0 446.282 2.858 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(OC(C)C)cc4)ncn3n2)cc1 ZINC000009287301 569519262 /nfs/dbraw/zinc/51/92/62/569519262.db2.gz GYEVFNCBVRGHNK-UHFFFAOYSA-N 0 0 447.495 2.670 50 0 IFAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nnc(C4CC4)s3)n2C)cc1 ZINC000009289750 569519568 /nfs/dbraw/zinc/51/95/68/569519568.db2.gz SQHGAWSFEPXINV-UHFFFAOYSA-N 0 0 443.558 2.764 50 0 IFAARN C[C@@H]1Cn2c3c(nc2N(CCc2ccccc2)C1)n(C)c(=O)n(Cc1ccccc1)c3=O ZINC000009290565 569519763 /nfs/dbraw/zinc/51/97/63/569519763.db2.gz WISJVHHINPPZAV-SFHVURJKSA-N 0 0 429.524 2.644 50 0 IFAARN COCCCn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C ZINC000009297211 569520514 /nfs/dbraw/zinc/52/05/14/569520514.db2.gz CCXSCAZAITUPFZ-UHFFFAOYSA-N 0 0 429.908 2.504 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000009300765 569520663 /nfs/dbraw/zinc/52/06/63/569520663.db2.gz KWUCVLDDOWZLJW-MRXNPFEDSA-N 0 0 439.578 2.658 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)Nc1ccc(Cl)cc1 ZINC000009305980 569521299 /nfs/dbraw/zinc/52/12/99/569521299.db2.gz RKLLNHCABUBPMS-JKSUJKDBSA-N 0 0 449.960 2.884 50 0 IFAARN COc1cccc(N2C(SCC(=O)OCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009306272 569521323 /nfs/dbraw/zinc/52/13/23/569521323.db2.gz AETJOYCYSYABOQ-MOPGFXCFSA-N 0 0 446.550 2.513 50 0 IFAARN CCOc1ccc(NC(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1OC ZINC000009314533 569522055 /nfs/dbraw/zinc/52/20/55/569522055.db2.gz DZUKRRLYMZGSEB-LJQANCHMSA-N 0 0 431.514 2.796 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1F ZINC000009318270 569522403 /nfs/dbraw/zinc/52/24/03/569522403.db2.gz ALFBIFRHSYDHIT-UHFFFAOYSA-N 0 0 447.488 2.684 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000009329624 569522941 /nfs/dbraw/zinc/52/29/41/569522941.db2.gz ZAPZGWLDIUSHIH-IBGZPJMESA-N 0 0 438.871 2.610 50 0 IFAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(C[C@H]2c2nc(-c3cccnc3)no2)CC1 ZINC000069895176 569522961 /nfs/dbraw/zinc/52/29/61/569522961.db2.gz MTOGUPWGPFOHEP-AWEZNQCLSA-N 0 0 448.936 2.785 50 0 IFAARN C[C@@H](OC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)NC(N)=O ZINC000009334415 569523218 /nfs/dbraw/zinc/52/32/18/569523218.db2.gz OFMDLKYWPBNSAJ-GFCCVEGCSA-N 0 0 446.916 2.957 50 0 IFAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc(OC)c1OC ZINC000009344517 569524043 /nfs/dbraw/zinc/52/40/43/569524043.db2.gz IBUPZQHUPXPKFW-LJQANCHMSA-N 0 0 425.437 2.746 50 0 IFAARN O=C(Nc1ccccc1F)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009349146 569524689 /nfs/dbraw/zinc/52/46/89/569524689.db2.gz LYNPOMSGTRTEJV-UHFFFAOYSA-N 0 0 433.505 2.699 50 0 IFAARN O=C(CSc1nnc(Cc2ccccc2)o1)N1CCN(C(=O)c2cccs2)CC1 ZINC000009349535 569524726 /nfs/dbraw/zinc/52/47/26/569524726.db2.gz YPTQPNVYMPRXPS-UHFFFAOYSA-N 0 0 428.539 2.799 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C)c(=O)n(-c2ccccc2)n1C ZINC000009349389 569524770 /nfs/dbraw/zinc/52/47/70/569524770.db2.gz LNVWTDLHWQPNHU-OAHLLOKOSA-N 0 0 449.540 2.794 50 0 IFAARN CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 ZINC000009351771 569524896 /nfs/dbraw/zinc/52/48/96/569524896.db2.gz KQFSVUSHXCLNGP-CQSZACIVSA-N 0 0 435.546 2.571 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1CC[C@H](Nc2ccccc2)C1 ZINC000069946663 569524986 /nfs/dbraw/zinc/52/49/86/569524986.db2.gz ZAGLKDNOQJHNQG-INIZCTEOSA-N 0 0 444.557 2.718 50 0 IFAARN C[C@@H](OC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000009361834 569525846 /nfs/dbraw/zinc/52/58/46/569525846.db2.gz YVEFVFFQIDZSDK-GFCCVEGCSA-N 0 0 435.889 2.549 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)cc1 ZINC000009366848 569526299 /nfs/dbraw/zinc/52/62/99/569526299.db2.gz PANKGJOMQHUALQ-UHFFFAOYSA-N 0 0 442.516 2.857 50 0 IFAARN O=C(CN1C(=O)Cc2ccccc2C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009376307 569527323 /nfs/dbraw/zinc/52/73/23/569527323.db2.gz IJPOAXWEWWLKLK-UHFFFAOYSA-N 0 0 429.480 2.835 50 0 IFAARN O=S(=O)(c1cccc(CSc2nnc(Cc3ccccc3)o2)c1)N1CCOCC1 ZINC000009376554 569527332 /nfs/dbraw/zinc/52/73/32/569527332.db2.gz LUVACEDLVFIDCR-UHFFFAOYSA-N 0 0 431.539 2.974 50 0 IFAARN CCOCC(=O)Nc1scc2c1c(=O)n(-c1ccc(OC)cc1)nc2C(=O)OCC ZINC000009381653 569528189 /nfs/dbraw/zinc/52/81/89/569528189.db2.gz KSBCPIXPSYSQEB-UHFFFAOYSA-N 0 0 431.470 2.608 50 0 IFAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2C)no1 ZINC000009390325 569528623 /nfs/dbraw/zinc/52/86/23/569528623.db2.gz XMLXYPADEUZFLF-UHFFFAOYSA-N 0 0 434.452 2.986 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000009393099 569529069 /nfs/dbraw/zinc/52/90/69/569529069.db2.gz VWBZBTZSFAOCQI-UHFFFAOYSA-N 0 0 431.297 2.762 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3cccc(C)c3C)cc2C[C@@H]1C ZINC000009396847 569529182 /nfs/dbraw/zinc/52/91/82/569529182.db2.gz XIHGPGFLDBGPMW-HNNXBMFYSA-N 0 0 429.542 2.860 50 0 IFAARN O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000009396756 569529200 /nfs/dbraw/zinc/52/92/00/569529200.db2.gz PBZCPARHETWLIX-HNNXBMFYSA-N 0 0 441.427 2.833 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)N3c4ccccc4C[C@H]3C)cc2C[C@@H]1C ZINC000009396924 569529247 /nfs/dbraw/zinc/52/92/47/569529247.db2.gz QTCUIUBPDZTCEV-JKSUJKDBSA-N 0 0 441.553 2.582 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C)c(F)c3)cc2C[C@H]1C ZINC000009396915 569529254 /nfs/dbraw/zinc/52/92/54/569529254.db2.gz HVPURYPUBIMKOT-CQSZACIVSA-N 0 0 433.505 2.691 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCCCC4)C3)cc2C[C@@H]1C ZINC000009397221 569529321 /nfs/dbraw/zinc/52/93/21/569529321.db2.gz MUUXPLVQQZLZBC-HKUYNNGSSA-N 0 0 447.601 2.787 50 0 IFAARN Cc1noc2nc(C)cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c12 ZINC000070038991 569529361 /nfs/dbraw/zinc/52/93/61/569529361.db2.gz STTJNVSBJFCBDV-UHFFFAOYSA-N 0 0 428.514 2.944 50 0 IFAARN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2nc(S(C)(=O)=O)n3ccccc23)c1 ZINC000070040685 569529404 /nfs/dbraw/zinc/52/94/04/569529404.db2.gz VHNSWJIGDOKKCD-SFHVURJKSA-N 0 0 443.525 2.568 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2nn(C)c(=O)c3ccccc32)ccc1C ZINC000009403404 569529486 /nfs/dbraw/zinc/52/94/86/569529486.db2.gz JFSGXXBLKOJIOD-UHFFFAOYSA-N 0 0 428.514 2.525 50 0 IFAARN Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccco3)s2)cc1C ZINC000009405085 569529760 /nfs/dbraw/zinc/52/97/60/569529760.db2.gz JXICWPZYHUJVGA-UHFFFAOYSA-N 0 0 436.515 2.586 50 0 IFAARN COc1ccccc1NC(=O)CSc1nc2nccnc2c(=O)n1Cc1ccccc1 ZINC000009405103 569529813 /nfs/dbraw/zinc/52/98/13/569529813.db2.gz UYFUHETYVBXYKK-UHFFFAOYSA-N 0 0 433.493 2.974 50 0 IFAARN COC(=O)c1sccc1NC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000009407490 569530238 /nfs/dbraw/zinc/53/02/38/569530238.db2.gz VUJXWRJWEPNOTG-UHFFFAOYSA-N 0 0 440.481 2.548 50 0 IFAARN Cc1cccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)c1C ZINC000009408071 569530439 /nfs/dbraw/zinc/53/04/39/569530439.db2.gz YEMWNIZSMNSYIC-UHFFFAOYSA-N 0 0 429.498 2.635 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccc(C)cc2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009408246 569530500 /nfs/dbraw/zinc/53/05/00/569530500.db2.gz DBIBABURPDLQRO-OALUTQOASA-N 0 0 445.566 2.717 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccc(F)cc2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009408266 569530571 /nfs/dbraw/zinc/53/05/71/569530571.db2.gz NNKPEPIBGIMVPN-MSOLQXFVSA-N 0 0 449.529 2.548 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)Nc1ccccc1C(F)(F)F ZINC000009412688 569531626 /nfs/dbraw/zinc/53/16/26/569531626.db2.gz FIDWTNGYBYHVLL-UHFFFAOYSA-N 0 0 446.364 2.833 50 0 IFAARN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000009413278 569531686 /nfs/dbraw/zinc/53/16/86/569531686.db2.gz DSOBRNIRHWZIEV-QGZVFWFLSA-N 0 0 447.582 2.592 50 0 IFAARN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000009413273 569531705 /nfs/dbraw/zinc/53/17/05/569531705.db2.gz DSOBRNIRHWZIEV-KRWDZBQOSA-N 0 0 447.582 2.592 50 0 IFAARN O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009414269 569531972 /nfs/dbraw/zinc/53/19/72/569531972.db2.gz FPBNGDGCPIBNQR-UHFFFAOYSA-N 0 0 440.525 2.600 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1 ZINC000009418433 569532410 /nfs/dbraw/zinc/53/24/10/569532410.db2.gz RPUDAMLERHQJSW-QFBILLFUSA-N 0 0 429.542 2.923 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000009421460 569532806 /nfs/dbraw/zinc/53/28/06/569532806.db2.gz NHKBGPUDIDHPSP-FQEVSTJZSA-N 0 0 440.525 2.561 50 0 IFAARN CC(C)c1nc2sc3c(ncn(CC(=O)N4CCOCC4)c3=O)c2c2c1CCCC2 ZINC000009423014 569532971 /nfs/dbraw/zinc/53/29/71/569532971.db2.gz RRQQIKOTVHRFLQ-UHFFFAOYSA-N 0 0 426.542 2.867 50 0 IFAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCc2cccnc2)cn3C2CC2)CC1 ZINC000009423679 569532985 /nfs/dbraw/zinc/53/29/85/569532985.db2.gz QWSRAQBYPHSTJL-UHFFFAOYSA-N 0 0 449.530 2.942 50 0 IFAARN COc1cc(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000009424105 569533064 /nfs/dbraw/zinc/53/30/64/569533064.db2.gz JXZQIGXJDRXDNU-CQSZACIVSA-N 0 0 425.528 2.603 50 0 IFAARN CCN(C(=O)CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009429428 569533693 /nfs/dbraw/zinc/53/36/93/569533693.db2.gz CGXMJYICEXVMJR-BROBNYNCSA-N 0 0 448.566 2.705 50 0 IFAARN COc1cccc(/C=C2\SC(=O)N(CC(=O)NCCc3ccc(O)cc3)C2=O)c1OC ZINC000009429783 569533785 /nfs/dbraw/zinc/53/37/85/569533785.db2.gz AZWIMQFYFQKYHN-PDGQHHTCSA-N 0 0 442.493 2.805 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)cc1OC ZINC000009430701 569533938 /nfs/dbraw/zinc/53/39/38/569533938.db2.gz WXDSVJLYHSTHEJ-CYBMUJFWSA-N 0 0 448.566 2.608 50 0 IFAARN O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000009430716 569533953 /nfs/dbraw/zinc/53/39/53/569533953.db2.gz NOGVGZKIVLDPNS-IBGZPJMESA-N 0 0 443.569 2.936 50 0 IFAARN CCCN1c2ccccc2[C@@]2(C1=O)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCO ZINC000009431994 569534309 /nfs/dbraw/zinc/53/43/09/569534309.db2.gz DPGIYMXDQPFYBI-VWLOTQADSA-N 0 0 432.476 2.858 50 0 IFAARN CC(C)n1c2sc3c(c2c(=O)n(CC(=O)NCc2ccccc2)c1=O)CC(C)(C)OC3 ZINC000009435518 569534824 /nfs/dbraw/zinc/53/48/24/569534824.db2.gz XGAUGBSMFZBVKQ-UHFFFAOYSA-N 0 0 441.553 2.973 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1C ZINC000009438558 569534988 /nfs/dbraw/zinc/53/49/88/569534988.db2.gz IENXUKKITSQZFI-HLIPFELVSA-N 0 0 436.574 2.959 50 0 IFAARN O=S(=O)(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc2c(c1)OCCO2 ZINC000009439539 569535074 /nfs/dbraw/zinc/53/50/74/569535074.db2.gz ASWVRANROMAMAI-UHFFFAOYSA-N 0 0 433.511 2.705 50 0 IFAARN CCCCn1c2ncn(C3CCCC3)c2c(=O)n(CC(=O)NCc2ccc(F)cc2)c1=O ZINC000009439810 569535165 /nfs/dbraw/zinc/53/51/65/569535165.db2.gz WDIVSCFYOOLFCP-UHFFFAOYSA-N 0 0 441.507 2.730 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N(C)Cc2cccs2)c1 ZINC000009441440 569535386 /nfs/dbraw/zinc/53/53/86/569535386.db2.gz IYNAHWOAHPFABL-UHFFFAOYSA-N 0 0 442.534 2.733 50 0 IFAARN Cc1nc2ccc(NC(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2s1 ZINC000009447098 569536003 /nfs/dbraw/zinc/53/60/03/569536003.db2.gz MYHFDUFNLUTCPF-UHFFFAOYSA-N 0 0 433.511 2.683 50 0 IFAARN CC[C@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)n1cnc2ccccc2c1=O ZINC000009448539 569536112 /nfs/dbraw/zinc/53/61/12/569536112.db2.gz WVSOBYZAVVIGBC-QGZVFWFLSA-N 0 0 425.441 2.790 50 0 IFAARN Cc1ccc(-c2nn3c(nnc3C(C)C)c3ccccc32)cc1S(=O)(=O)NCCO ZINC000009449158 569536151 /nfs/dbraw/zinc/53/61/51/569536151.db2.gz RRLVNXIRZYMAPZ-UHFFFAOYSA-N 0 0 425.514 2.647 50 0 IFAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)COc1ccc2c(c1)CCC2 ZINC000009450837 569536324 /nfs/dbraw/zinc/53/63/24/569536324.db2.gz ZKEZHKJXUVHNJY-UHFFFAOYSA-N 0 0 430.888 2.848 50 0 IFAARN Nn1c(SCC(=O)Nc2nccs2)nnc1-c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000009452058 569536439 /nfs/dbraw/zinc/53/64/39/569536439.db2.gz HNBFGKSCBGAINQ-UHFFFAOYSA-N 0 0 432.922 2.890 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000009455117 569536709 /nfs/dbraw/zinc/53/67/09/569536709.db2.gz AQFABIXUAPXUBH-UHFFFAOYSA-N 0 0 429.542 2.774 50 0 IFAARN CCn1c2ccc(C(=O)N3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2nc(C)c1=O ZINC000009457014 569536763 /nfs/dbraw/zinc/53/67/63/569536763.db2.gz UHSZIYBSUALEGC-UHFFFAOYSA-N 0 0 431.496 2.845 50 0 IFAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000009465057 569537855 /nfs/dbraw/zinc/53/78/55/569537855.db2.gz IPLZNXRIUDALMI-HSZRJFAPSA-N 0 0 438.487 2.747 50 0 IFAARN C[C@@H](NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccc2c(c1)OCCO2 ZINC000009466325 569538139 /nfs/dbraw/zinc/53/81/39/569538139.db2.gz GVMNGDBYJDQWLU-GFCCVEGCSA-N 0 0 437.418 2.623 50 0 IFAARN C[C@H](NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccc2c(c1)OCCO2 ZINC000009466323 569538163 /nfs/dbraw/zinc/53/81/63/569538163.db2.gz GVMNGDBYJDQWLU-LBPRGKRZSA-N 0 0 437.418 2.623 50 0 IFAARN CCOc1ccc(CCNC(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1OCC ZINC000009467056 569538320 /nfs/dbraw/zinc/53/83/20/569538320.db2.gz LBBYXVAYNCJNLW-NRFANRHFSA-N 0 0 429.469 2.526 50 0 IFAARN Cc1ccc(C)c(Sc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)c1 ZINC000009468554 569538704 /nfs/dbraw/zinc/53/87/04/569538704.db2.gz RLSLXCFLZHHHLD-UHFFFAOYSA-N 0 0 449.536 2.840 50 0 IFAARN O=C(CN1CCCSc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000009470556 569538846 /nfs/dbraw/zinc/53/88/46/569538846.db2.gz PBEPNJZXSSPRCI-UHFFFAOYSA-N 0 0 449.573 2.661 50 0 IFAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1cccs1 ZINC000009477440 569539222 /nfs/dbraw/zinc/53/92/22/569539222.db2.gz YBLGSRPLBMOTJO-UHFFFAOYSA-N 0 0 432.567 2.733 50 0 IFAARN COc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N)c1 ZINC000009487740 569539779 /nfs/dbraw/zinc/53/97/79/569539779.db2.gz VOBZSDLOSPUFQD-UHFFFAOYSA-N 0 0 439.476 2.928 50 0 IFAARN COc1ccc(C2=NO[C@@H]3[C@@H]4C[C@H]([C@H]23)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]42)c(OC)c1 ZINC000009488461 569539904 /nfs/dbraw/zinc/53/99/04/569539904.db2.gz DJQFBGBNMUPCTC-VDKRJKRFSA-N 0 0 432.476 2.874 50 0 IFAARN COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000009491598 569540396 /nfs/dbraw/zinc/54/03/96/569540396.db2.gz RMWKUVANUZHDGX-RTBURBONSA-N 0 0 446.569 2.773 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(N=C2NN=C(c3ccc4c(c3)OCCO4)CS2)c1 ZINC000009493520 569540779 /nfs/dbraw/zinc/54/07/79/569540779.db2.gz QLZIHJIDVLPXGO-UHFFFAOYSA-N 0 0 432.527 2.627 50 0 IFAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3S[C@@H]3CCS(=O)(=O)C3)cc2NC1=O ZINC000009496979 569541274 /nfs/dbraw/zinc/54/12/74/569541274.db2.gz FVTIFIZABXLVIS-GXTWGEPZSA-N 0 0 432.523 2.938 50 0 IFAARN Cc1c(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000009498881 569541410 /nfs/dbraw/zinc/54/14/10/569541410.db2.gz HEHRCGCBLXTBHE-AWEZNQCLSA-N 0 0 435.509 2.840 50 0 IFAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2nncn2C)cc1 ZINC000009499933 569541485 /nfs/dbraw/zinc/54/14/85/569541485.db2.gz AKDSTJQXWXWUOX-UHFFFAOYSA-N 0 0 425.514 2.527 50 0 IFAARN COCCn1c(=O)c2ccccc2nc1SCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009500117 569541518 /nfs/dbraw/zinc/54/15/18/569541518.db2.gz BBPGLHDVCLVISH-UHFFFAOYSA-N 0 0 433.555 2.586 50 0 IFAARN NC(=O)Cn1c(CSc2nnc(-c3cccs3)n2C2CC2)nc2ccccc2c1=O ZINC000009499653 569541519 /nfs/dbraw/zinc/54/15/19/569541519.db2.gz CFXMCBJTRIARBG-UHFFFAOYSA-N 0 0 438.538 2.829 50 0 IFAARN O=C(CNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1cnc2ccccc2c1 ZINC000009499899 569541529 /nfs/dbraw/zinc/54/15/29/569541529.db2.gz BPILPABOEPWCDG-UHFFFAOYSA-N 0 0 447.520 2.640 50 0 IFAARN CC(C)n1nccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009502948 569541719 /nfs/dbraw/zinc/54/17/19/569541719.db2.gz JPNYCGVARGGHKX-UHFFFAOYSA-N 0 0 448.545 2.665 50 0 IFAARN CC(=O)Nc1ccc(SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000009507113 569541936 /nfs/dbraw/zinc/54/19/36/569541936.db2.gz BIBVUOTVNVWUGP-UHFFFAOYSA-N 0 0 434.539 2.641 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccc(Cl)cc3o2)cc1 ZINC000009507437 569541997 /nfs/dbraw/zinc/54/19/97/569541997.db2.gz GNUNYUUDLXHPQK-UHFFFAOYSA-N 0 0 425.919 2.580 50 0 IFAARN Nn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000009510843 569542789 /nfs/dbraw/zinc/54/27/89/569542789.db2.gz LOYPOCWHJRAOCM-UHFFFAOYSA-N 0 0 444.883 2.967 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009512181 569542932 /nfs/dbraw/zinc/54/29/32/569542932.db2.gz FPFFSYZSBKWQPG-ZDUSSCGKSA-N 0 0 435.274 2.907 50 0 IFAARN Cc1cc(C)c(NC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(C)c1 ZINC000009513122 569543077 /nfs/dbraw/zinc/54/30/77/569543077.db2.gz XBXMGBDQSKWIBJ-UHFFFAOYSA-N 0 0 435.571 2.759 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NC[C@@H]2CCCO2)s1 ZINC000009514711 569543241 /nfs/dbraw/zinc/54/32/41/569543241.db2.gz JAUPHXOFFPEHPI-OLZOCXBDSA-N 0 0 433.559 2.985 50 0 IFAARN Cc1c2ccccc2sc1C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000009515779 569543379 /nfs/dbraw/zinc/54/33/79/569543379.db2.gz HBDWCJGVEBNSSL-QFIPXVFZSA-N 0 0 446.492 2.835 50 0 IFAARN O=C(c1cccs1)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC000009516313 569543442 /nfs/dbraw/zinc/54/34/42/569543442.db2.gz KABRWZZWTFDTBW-MRXNPFEDSA-N 0 0 431.945 2.735 50 0 IFAARN Cc1cccc(-c2nc(SCC(=O)c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000009517503 569543616 /nfs/dbraw/zinc/54/36/16/569543616.db2.gz ZQEZOPGNATVAMG-UHFFFAOYSA-N 0 0 432.505 2.978 50 0 IFAARN Cc1ccc(-c2nc(SCC(=O)c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000009517513 569543645 /nfs/dbraw/zinc/54/36/45/569543645.db2.gz UUAURVAYASKKFT-UHFFFAOYSA-N 0 0 432.505 2.978 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)o2)cc1 ZINC000009518562 569544138 /nfs/dbraw/zinc/54/41/38/569544138.db2.gz QKCUJJAPLCKZHZ-UHFFFAOYSA-N 0 0 425.470 2.689 50 0 IFAARN Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3CCc2ccccc2)n(C)c1=O ZINC000009519130 569544236 /nfs/dbraw/zinc/54/42/36/569544236.db2.gz WGVGTXWVGBMSCT-SFHVURJKSA-N 0 0 443.551 2.952 50 0 IFAARN COc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)c1 ZINC000009526879 569544550 /nfs/dbraw/zinc/54/45/50/569544550.db2.gz JHZSXELXQPNEJY-UHFFFAOYSA-N 0 0 426.904 2.698 50 0 IFAARN C[C@@H](Cc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1 ZINC000009528622 569544739 /nfs/dbraw/zinc/54/47/39/569544739.db2.gz MRJCRILDOOYURS-INIZCTEOSA-N 0 0 429.542 2.919 50 0 IFAARN Cc1ccsc1CCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009530046 569544979 /nfs/dbraw/zinc/54/49/79/569544979.db2.gz FRUXCILCLTZLRG-SJLPKXTDSA-N 0 0 449.623 2.638 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc(=O)oc3cc4c(cc23)CCC4)c1 ZINC000009538853 569545628 /nfs/dbraw/zinc/54/56/28/569545628.db2.gz HJMIZMHVWZFEGZ-UHFFFAOYSA-N 0 0 428.510 2.522 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)NN1C(=O)c2cccc3cccc(c32)C1=O ZINC000009540110 569545700 /nfs/dbraw/zinc/54/57/00/569545700.db2.gz BKJHGRJOJNWCFS-UHFFFAOYSA-N 0 0 427.416 2.543 50 0 IFAARN COc1ccc(OCc2nnc(SCC(=O)NC(=O)Nc3ccccc3F)n2C)cc1 ZINC000009545029 569546076 /nfs/dbraw/zinc/54/60/76/569546076.db2.gz WRJJBWUWFMEGMN-UHFFFAOYSA-N 0 0 445.476 2.982 50 0 IFAARN O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000009549228 569546647 /nfs/dbraw/zinc/54/66/47/569546647.db2.gz GJSNLQRMARRXJS-LJQANCHMSA-N 0 0 431.489 2.510 50 0 IFAARN NC(=O)c1cnn(-c2ccccc2)c1NC(=S)NC(=O)c1ccccc1Br ZINC000009562298 569547272 /nfs/dbraw/zinc/54/72/72/569547272.db2.gz RQWWPUXBYIHXKZ-UHFFFAOYSA-N 0 0 444.314 2.861 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 ZINC000009562872 569547392 /nfs/dbraw/zinc/54/73/92/569547392.db2.gz MAIWBBUNWVYOAF-UHFFFAOYSA-N 0 0 431.514 2.710 50 0 IFAARN COc1ccc(-c2coc3cc(OCC(=O)N4CCC(C(N)=O)CC4)ccc3c2=O)cc1 ZINC000009575667 569548033 /nfs/dbraw/zinc/54/80/33/569548033.db2.gz ZKWDZQIJBLFGEO-UHFFFAOYSA-N 0 0 436.464 2.571 50 0 IFAARN COc1ccc(CNC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000009579765 569548579 /nfs/dbraw/zinc/54/85/79/569548579.db2.gz YVASOUQSQPOMCH-HSZRJFAPSA-N 0 0 446.503 2.896 50 0 IFAARN O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009580480 569548796 /nfs/dbraw/zinc/54/87/96/569548796.db2.gz CKHDWJCQYAHNAX-HNNXBMFYSA-N 0 0 433.559 2.987 50 0 IFAARN O=C(c1cnn(-c2ccccc2)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009580915 569548881 /nfs/dbraw/zinc/54/88/81/569548881.db2.gz PAWSRJVISPSJQK-UHFFFAOYSA-N 0 0 428.489 2.548 50 0 IFAARN C[C@@H]1CCCN(C(=O)COC(=O)c2cccnc2SCC(=O)N2CCC[C@@H](C)C2)C1 ZINC000009583675 569549264 /nfs/dbraw/zinc/54/92/64/569549264.db2.gz CXKZLXSRDCMLMA-IAGOWNOFSA-N 0 0 433.574 2.848 50 0 IFAARN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCn1nnc2ccccc2c1=O ZINC000009583289 569549281 /nfs/dbraw/zinc/54/92/81/569549281.db2.gz CKMPASXHCPOCPC-UHFFFAOYSA-N 0 0 430.420 2.515 50 0 IFAARN O=C(COc1ccc2c(c1)CCC2)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009583730 569549347 /nfs/dbraw/zinc/54/93/47/569549347.db2.gz NPGUMYUTPLEEQO-UHFFFAOYSA-N 0 0 432.517 2.616 50 0 IFAARN CCOc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1cccnc1 ZINC000009584930 569549431 /nfs/dbraw/zinc/54/94/31/569549431.db2.gz XQSNGQQGXRDEEY-UHFFFAOYSA-N 0 0 425.514 2.679 50 0 IFAARN COc1ccc(OC(C)=O)c(C2=NN(C(C)=O)[C@H](CN(C(C)=O)c3ccc(C)cc3)O2)c1 ZINC000009587226 569549783 /nfs/dbraw/zinc/54/97/83/569549783.db2.gz IEOYWCSQHGBTLN-QFIPXVFZSA-N 0 0 439.468 2.848 50 0 IFAARN Cc1ccc(-c2cc(NC(=O)COC(=O)C3=NNC(=O)CC3)n(-c3ccccc3)n2)cc1 ZINC000009589101 569549959 /nfs/dbraw/zinc/54/99/59/569549959.db2.gz UGPZSRSQZFMDJY-UHFFFAOYSA-N 0 0 431.452 2.595 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)NCCSCc3cccs3)n2N)cc1 ZINC000009589353 569549979 /nfs/dbraw/zinc/54/99/79/569549979.db2.gz LHHWCZIMVJCYDJ-UHFFFAOYSA-N 0 0 435.600 2.871 50 0 IFAARN CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)N4CCCC4)CC3)c(=O)c2cc1OCC ZINC000009589873 569549990 /nfs/dbraw/zinc/54/99/90/569549990.db2.gz VCHQGMXJFSXUBB-UHFFFAOYSA-N 0 0 443.544 2.916 50 0 IFAARN CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000009593954 569550546 /nfs/dbraw/zinc/55/05/46/569550546.db2.gz YUUTZSKWCNGSDC-OAHLLOKOSA-N 0 0 434.514 2.956 50 0 IFAARN Cc1noc(C)c1COc1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 ZINC000009594155 569550602 /nfs/dbraw/zinc/55/06/02/569550602.db2.gz CUJMYILZJKCRNR-QHCPKHFHSA-N 0 0 434.452 2.982 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nc3c(cnn3-c3cccc(C)c3)c(=O)[nH]2)cc1 ZINC000009595023 569550663 /nfs/dbraw/zinc/55/06/63/569550663.db2.gz DMHDUBGCAUXCSV-UHFFFAOYSA-N 0 0 449.536 2.877 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1 ZINC000009597045 569550811 /nfs/dbraw/zinc/55/08/11/569550811.db2.gz SOXMUBVCEXIRFY-UHFFFAOYSA-N 0 0 443.930 2.771 50 0 IFAARN Cc1cc(C)cc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c(c2=O)SCC3)c1 ZINC000009602800 569551705 /nfs/dbraw/zinc/55/17/05/569551705.db2.gz IXAKEORFVDVIAW-INIZCTEOSA-N 0 0 431.583 2.885 50 0 IFAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009605418 569551911 /nfs/dbraw/zinc/55/19/11/569551911.db2.gz XCRSCEFHNNUALQ-AWEZNQCLSA-N 0 0 440.525 2.736 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)c1 ZINC000009608573 569552170 /nfs/dbraw/zinc/55/21/70/569552170.db2.gz KAUKKPZERGIQCJ-UHFFFAOYSA-N 0 0 432.278 2.941 50 0 IFAARN COc1ccc(CCNC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)cc1OC ZINC000009608585 569552197 /nfs/dbraw/zinc/55/21/97/569552197.db2.gz AMWRLRZFXBSYDY-UHFFFAOYSA-N 0 0 427.530 2.620 50 0 IFAARN COc1ccc(CNC(=O)c2nnn(Cc3ccc(OC)c(Br)c3)c2N)cc1 ZINC000009608661 569552217 /nfs/dbraw/zinc/55/22/17/569552217.db2.gz ZCMAVIMEQYEPJS-UHFFFAOYSA-N 0 0 446.305 2.618 50 0 IFAARN CN(C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000009612466 569552866 /nfs/dbraw/zinc/55/28/66/569552866.db2.gz NLCYPUZVHJSPCE-AWEZNQCLSA-N 0 0 444.534 2.766 50 0 IFAARN Cc1cc(NC(=O)CSCC(=O)OCC(=O)c2ccc(Br)s2)no1 ZINC000009634771 569554487 /nfs/dbraw/zinc/55/44/87/569554487.db2.gz IMSFSVGWAJPRLJ-UHFFFAOYSA-N 0 0 433.305 2.905 50 0 IFAARN C[C@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)c1cccs1 ZINC000009619783 569553434 /nfs/dbraw/zinc/55/34/34/569553434.db2.gz PVOJWPSZMUSBHN-AWEZNQCLSA-N 0 0 449.554 2.708 50 0 IFAARN COc1ccc(CC(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1OC ZINC000009626738 569553548 /nfs/dbraw/zinc/55/35/48/569553548.db2.gz NUHUVTXZHDVXTH-UHFFFAOYSA-N 0 0 427.482 2.746 50 0 IFAARN CSCC[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1C(=O)c2ccccc2C1=O ZINC000009632571 569554037 /nfs/dbraw/zinc/55/40/37/569554037.db2.gz HHCHDBBFSHOCPU-CQSZACIVSA-N 0 0 443.550 2.692 50 0 IFAARN C[C@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1 ZINC000009633416 569554245 /nfs/dbraw/zinc/55/42/45/569554245.db2.gz RYJOCVLESLERKE-AWEZNQCLSA-N 0 0 430.457 2.828 50 0 IFAARN Cc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000009635046 569554572 /nfs/dbraw/zinc/55/45/72/569554572.db2.gz IEZLOGYZXZHEPV-UHFFFAOYSA-N 0 0 429.782 2.974 50 0 IFAARN O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009637357 569554806 /nfs/dbraw/zinc/55/48/06/569554806.db2.gz GDNGKJGGHNUPEN-IBGZPJMESA-N 0 0 431.489 2.744 50 0 IFAARN CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccc3c(c2)CCCC3)NC(=O)N[C@H]1C ZINC000009637082 569554823 /nfs/dbraw/zinc/55/48/23/569554823.db2.gz KHMRJFWEWFXQRU-AWEZNQCLSA-N 0 0 428.485 2.590 50 0 IFAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000009638747 569555050 /nfs/dbraw/zinc/55/50/50/569555050.db2.gz PFTGWKCRZFKZBE-HNNXBMFYSA-N 0 0 428.543 2.980 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)OCc3cc(=O)oc4cc(O)ccc34)CC2=O)c(OC)c1 ZINC000009639771 569555257 /nfs/dbraw/zinc/55/52/57/569555257.db2.gz NYQAVKHKHRJXJU-ZDUSSCGKSA-N 0 0 439.420 2.612 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)c(C)c1 ZINC000009640353 569555429 /nfs/dbraw/zinc/55/54/29/569555429.db2.gz CSWJSCNCJUEUTH-UHFFFAOYSA-N 0 0 438.553 2.944 50 0 IFAARN COc1cccc(CNC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[nH]n32)c1 ZINC000009641597 569555716 /nfs/dbraw/zinc/55/57/16/569555716.db2.gz CYTIUKNRSKSREP-UHFFFAOYSA-N 0 0 435.509 2.810 50 0 IFAARN C[C@@H]1Cc2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc2N1S(C)(=O)=O ZINC000009642277 569555777 /nfs/dbraw/zinc/55/57/77/569555777.db2.gz MCPPREDRQSQFHK-QGZVFWFLSA-N 0 0 447.601 2.652 50 0 IFAARN CCCN(C(=O)Cc1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009643230 569555910 /nfs/dbraw/zinc/55/59/10/569555910.db2.gz OBZREHYMNKQIJE-UHFFFAOYSA-N 0 0 426.904 2.806 50 0 IFAARN COc1ccccc1NC(=O)Cn1c2cccnc2c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000009660648 569556897 /nfs/dbraw/zinc/55/68/97/569556897.db2.gz ZIEFSDVDWVQTEN-UHFFFAOYSA-N 0 0 430.464 2.562 50 0 IFAARN COc1ccc(CC(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1OC ZINC000009660955 569556947 /nfs/dbraw/zinc/55/69/47/569556947.db2.gz ODYWJAQMWVGWIA-UHFFFAOYSA-N 0 0 427.888 2.940 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 ZINC000009661056 569556980 /nfs/dbraw/zinc/55/69/80/569556980.db2.gz PEJVVYVCUZUCDC-UHFFFAOYSA-N 0 0 449.916 2.559 50 0 IFAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009662585 569557133 /nfs/dbraw/zinc/55/71/33/569557133.db2.gz YVRFMBRMTIWPAI-INIZCTEOSA-N 0 0 445.566 2.772 50 0 IFAARN O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NCCc1ccccc1F ZINC000009665120 569557543 /nfs/dbraw/zinc/55/75/43/569557543.db2.gz OLMOYDOEGLIEDF-UHFFFAOYSA-N 0 0 427.476 2.564 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000009666310 569557700 /nfs/dbraw/zinc/55/77/00/569557700.db2.gz YHVHFCRSBCNDMS-UHFFFAOYSA-N 0 0 433.482 2.843 50 0 IFAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000009671004 569558434 /nfs/dbraw/zinc/55/84/34/569558434.db2.gz UQXULVBDGABJNE-AWEZNQCLSA-N 0 0 426.498 2.713 50 0 IFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009671652 569558608 /nfs/dbraw/zinc/55/86/08/569558608.db2.gz QKAYYEICUHWGIM-AWEZNQCLSA-N 0 0 441.534 2.847 50 0 IFAARN O=C(COc1ccc(F)cc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000009853696 569571498 /nfs/dbraw/zinc/57/14/98/569571498.db2.gz TVIFRHZNHJRDEF-UHFFFAOYSA-N 0 0 432.926 2.889 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3cccc(C)c3C)CC2)cc1 ZINC000009675989 569559401 /nfs/dbraw/zinc/55/94/01/569559401.db2.gz GSQKDJDOIDTZTN-UHFFFAOYSA-N 0 0 432.542 2.660 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc4c(c3)OCO4)cc2C[C@H]1C ZINC000009677063 569559535 /nfs/dbraw/zinc/55/95/35/569559535.db2.gz PRACCKCOZMFGIK-CQSZACIVSA-N 0 0 444.509 2.905 50 0 IFAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)c1ccccc1 ZINC000009677407 569559556 /nfs/dbraw/zinc/55/95/56/569559556.db2.gz VTYAQQCZJVLWBM-AWEZNQCLSA-N 0 0 430.555 2.969 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc3nc4sc5c(c4c(=O)n3c2)CCCC5)CC1 ZINC000009677843 569559606 /nfs/dbraw/zinc/55/96/06/569559606.db2.gz CISJLJFUPBOGDU-UHFFFAOYSA-N 0 0 440.525 2.702 50 0 IFAARN CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(Cl)ccc2OC)c1N ZINC000009677962 569559612 /nfs/dbraw/zinc/55/96/12/569559612.db2.gz DGBRCLCTWSCFIO-UHFFFAOYSA-N 0 0 428.880 2.976 50 0 IFAARN Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCCC2)O3)cc1 ZINC000009683531 569560332 /nfs/dbraw/zinc/56/03/32/569560332.db2.gz XNQMNXALCIOSNB-NRFANRHFSA-N 0 0 430.526 2.626 50 0 IFAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCCC2)O3)cc1 ZINC000009683466 569560377 /nfs/dbraw/zinc/56/03/77/569560377.db2.gz NCXSGYMBDCKDLK-OAQYLSRUSA-N 0 0 446.525 2.673 50 0 IFAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)NCc3ccccc3)c2n1 ZINC000009689109 569560917 /nfs/dbraw/zinc/56/09/17/569560917.db2.gz JRDLMDLQPQTYSF-UHFFFAOYSA-N 0 0 447.516 2.854 50 0 IFAARN C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c1)c1ccccc1 ZINC000009690620 569560971 /nfs/dbraw/zinc/56/09/71/569560971.db2.gz JUQCAGUZUFNESL-MRXNPFEDSA-N 0 0 448.508 2.954 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc3ccco3)ccc21 ZINC000009692228 569561050 /nfs/dbraw/zinc/56/10/50/569561050.db2.gz GPIGTEFAQHPBBH-IBGZPJMESA-N 0 0 447.557 2.588 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)NC3CCCCC3)C(C)C)ccc21 ZINC000009692112 569561089 /nfs/dbraw/zinc/56/10/89/569561089.db2.gz GEUUVSCNASLQCY-NRFANRHFSA-N 0 0 435.590 2.738 50 0 IFAARN CC[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000009693181 569561119 /nfs/dbraw/zinc/56/11/19/569561119.db2.gz FCIYPIXHLMWPSM-KRWDZBQOSA-N 0 0 429.952 2.900 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000009701610 569561245 /nfs/dbraw/zinc/56/12/45/569561245.db2.gz GLFSFCVEKHCFJO-UHFFFAOYSA-N 0 0 435.845 2.921 50 0 IFAARN COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3F)cc2C1=O ZINC000009700299 569561263 /nfs/dbraw/zinc/56/12/63/569561263.db2.gz YXXFROIDTBULDE-UHFFFAOYSA-N 0 0 448.834 2.907 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c2)cc1 ZINC000009703470 569561317 /nfs/dbraw/zinc/56/13/17/569561317.db2.gz DBZHGXORJCRWLK-UHFFFAOYSA-N 0 0 445.522 2.696 50 0 IFAARN COc1ccc(CCNC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 ZINC000009708133 569561851 /nfs/dbraw/zinc/56/18/51/569561851.db2.gz NYVKKJXKVUBGIO-JOCHJYFZSA-N 0 0 433.508 2.867 50 0 IFAARN O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009712105 569562099 /nfs/dbraw/zinc/56/20/99/569562099.db2.gz HMELTYNRKKKKMN-UHFFFAOYSA-N 0 0 434.499 2.845 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 ZINC000009712228 569562165 /nfs/dbraw/zinc/56/21/65/569562165.db2.gz AFCOXOAQGYGMIJ-UHFFFAOYSA-N 0 0 429.527 2.523 50 0 IFAARN COc1ccc(Cn2c(C)cn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1 ZINC000009712996 569562451 /nfs/dbraw/zinc/56/24/51/569562451.db2.gz ZPSOVMAJVINGEC-UHFFFAOYSA-N 0 0 443.507 2.871 50 0 IFAARN CCc1ccc(-n2c(-c3ccccc3)cn3c4c(nc32)n(C)c(=O)n(CCCO)c4=O)cc1 ZINC000009713269 569562554 /nfs/dbraw/zinc/56/25/54/569562554.db2.gz XERGDDCRUWKHGW-UHFFFAOYSA-N 0 0 443.507 2.750 50 0 IFAARN Cc1ccc(-n2c(-c3ccccc3)cn3c4c(nc32)n(C)c(=O)n(CCCO)c4=O)cc1C ZINC000009713263 569562561 /nfs/dbraw/zinc/56/25/61/569562561.db2.gz SIKHSYVXYGDXJR-UHFFFAOYSA-N 0 0 443.507 2.805 50 0 IFAARN CC(=O)Cn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2cccc(C)c2)n(C)c1=O ZINC000009713232 569562572 /nfs/dbraw/zinc/56/25/72/569562572.db2.gz JRYWGJKTHDMZGP-UHFFFAOYSA-N 0 0 427.464 2.703 50 0 IFAARN CCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2cc(OC)ccc2OC)n(C)c1=O ZINC000009713445 569562588 /nfs/dbraw/zinc/56/25/88/569562588.db2.gz OGSKQVSJGRDHFN-UHFFFAOYSA-N 0 0 445.479 2.843 50 0 IFAARN O=C(COc1coc(CN2CCc3ccccc32)cc1=O)Nc1ccc2c(c1)OCCO2 ZINC000009716498 569563217 /nfs/dbraw/zinc/56/32/17/569563217.db2.gz SBYGUVSSYPHHEC-UHFFFAOYSA-N 0 0 434.448 2.991 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1C[C@H](C)C[C@@H](C)C1)cn2C ZINC000009724174 569563639 /nfs/dbraw/zinc/56/36/39/569563639.db2.gz KICFOINUQHMTMD-HZPDHXFCSA-N 0 0 433.574 2.687 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1C[C@@H](C)C[C@H](C)C1)cn2C ZINC000009724168 569563677 /nfs/dbraw/zinc/56/36/77/569563677.db2.gz KICFOINUQHMTMD-HOTGVXAUSA-N 0 0 433.574 2.687 50 0 IFAARN CC(C)Cn1c(N)c(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(=O)n(C)c1=O ZINC000009724248 569563680 /nfs/dbraw/zinc/56/36/80/569563680.db2.gz ILSAKKIEPPBUGY-UHFFFAOYSA-N 0 0 439.541 2.924 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NC[C@@H](C)c4ccccc4)nc(C)n3n2)cc1 ZINC000009727916 569564073 /nfs/dbraw/zinc/56/40/73/569564073.db2.gz ZPKPQCVEKCULGT-MRXNPFEDSA-N 0 0 431.496 2.795 50 0 IFAARN CCOc1ccccc1CNC(=O)Cn1nc(C)n2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009727993 569564086 /nfs/dbraw/zinc/56/40/86/569564086.db2.gz UABZUVNSYCAHJP-UHFFFAOYSA-N 0 0 447.495 2.590 50 0 IFAARN O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccc(Br)c1 ZINC000070933504 569564187 /nfs/dbraw/zinc/56/41/87/569564187.db2.gz OCCUJKDAQJOXGL-UHFFFAOYSA-N 0 0 438.347 2.675 50 0 IFAARN CCOC(=O)C1=C(COC(=O)CCc2c(C)noc2C)NC(=O)N[C@H]1c1ccccc1 ZINC000009730194 569564392 /nfs/dbraw/zinc/56/43/92/569564392.db2.gz RXWKAAUBQSPPIX-FQEVSTJZSA-N 0 0 427.457 2.639 50 0 IFAARN CC[C@H](C)NC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000009730881 569564517 /nfs/dbraw/zinc/56/45/17/569564517.db2.gz LWOMMUHQCCCBNP-INIZCTEOSA-N 0 0 433.574 2.970 50 0 IFAARN COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000009731495 569564606 /nfs/dbraw/zinc/56/46/06/569564606.db2.gz OVVFCLRYGWLYHK-ZDUSSCGKSA-N 0 0 432.527 2.648 50 0 IFAARN CCOc1ccc(-n2c3nc(-c4ccc(OCC)c(OC)c4)nc(C(N)=O)c3[nH]c2=O)cc1 ZINC000009739098 569564976 /nfs/dbraw/zinc/56/49/76/569564976.db2.gz WMKHOQOAGGJZAF-UHFFFAOYSA-N 0 0 449.467 2.681 50 0 IFAARN COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009740166 569565124 /nfs/dbraw/zinc/56/51/24/569565124.db2.gz VCILJBNTHGCSAZ-FQEVSTJZSA-N 0 0 442.493 2.867 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009741005 569565168 /nfs/dbraw/zinc/56/51/68/569565168.db2.gz SKTMTDYBTYZVEK-LJQANCHMSA-N 0 0 439.486 2.921 50 0 IFAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O ZINC000009741892 569565322 /nfs/dbraw/zinc/56/53/22/569565322.db2.gz FQHRCTLGOYJXGZ-KOSHJBKYSA-N 0 0 433.464 2.516 50 0 IFAARN Cc1cccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1C ZINC000009743482 569565462 /nfs/dbraw/zinc/56/54/62/569565462.db2.gz ZYPDZYJOXGFNLP-IBGZPJMESA-N 0 0 443.569 2.992 50 0 IFAARN O=C(c1cncn1-c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009745021 569565575 /nfs/dbraw/zinc/56/55/75/569565575.db2.gz ZTUINNMOAZMMOA-UHFFFAOYSA-N 0 0 428.489 2.548 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2)cc1 ZINC000009745223 569565690 /nfs/dbraw/zinc/56/56/90/569565690.db2.gz YCOMFXXABODLDD-IBGZPJMESA-N 0 0 429.542 2.683 50 0 IFAARN COc1ccc(Br)cc1Cn1nnc(C(=O)NCc2ccc(F)cc2)c1N ZINC000009749139 569565966 /nfs/dbraw/zinc/56/59/66/569565966.db2.gz XMOOVLZVZDWTMN-UHFFFAOYSA-N 0 0 434.269 2.749 50 0 IFAARN CCOc1ccc(CC(=O)Nc2ccc(-n3nnc(C(=O)NC4CCCC4)n3)cc2)cc1 ZINC000071003063 569566550 /nfs/dbraw/zinc/56/65/50/569566550.db2.gz RKYWOVRFJWLNIY-UHFFFAOYSA-N 0 0 434.500 2.915 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000009766396 569566830 /nfs/dbraw/zinc/56/68/30/569566830.db2.gz ASISBFKKBDFAGM-CQSZACIVSA-N 0 0 447.919 2.868 50 0 IFAARN C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)N1CCNC1=O ZINC000009778603 569567252 /nfs/dbraw/zinc/56/72/52/569567252.db2.gz RGRUHFZLVMFRAK-CYBMUJFWSA-N 0 0 437.481 2.695 50 0 IFAARN Cn1c2nc(NCc3cccnc3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000009781416 569567567 /nfs/dbraw/zinc/56/75/67/569567567.db2.gz DIUKNWGNNWORDY-UHFFFAOYSA-N 0 0 426.480 2.642 50 0 IFAARN COc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1S(=O)(=O)NC1CC1 ZINC000009793619 569568340 /nfs/dbraw/zinc/56/83/40/569568340.db2.gz AQUXOHJVLFDXIE-UHFFFAOYSA-N 0 0 429.903 2.891 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C(=O)c2ccc(F)cc2)n2cc(Cl)ccc2=O)C1 ZINC000009805528 569568768 /nfs/dbraw/zinc/56/87/68/569568768.db2.gz LSQXEIAJPUYUEJ-KXBFYZLASA-N 0 0 448.878 2.867 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2)c(C)c1 ZINC000009806411 569568878 /nfs/dbraw/zinc/56/88/78/569568878.db2.gz ALLYPMBJJNHNSS-LJQANCHMSA-N 0 0 429.542 2.520 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000009806147 569568883 /nfs/dbraw/zinc/56/88/83/569568883.db2.gz UQRLAOXMUYAHNU-KRWDZBQOSA-N 0 0 435.933 2.556 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2C)c1 ZINC000009807434 569568978 /nfs/dbraw/zinc/56/89/78/569568978.db2.gz LUKGWCPDFZAQII-GOSISDBHSA-N 0 0 429.542 2.520 50 0 IFAARN COc1ccccc1-n1ccn(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1=O ZINC000009808689 569569050 /nfs/dbraw/zinc/56/90/50/569569050.db2.gz KJPVOPSVOGQSAF-UHFFFAOYSA-N 0 0 448.248 2.548 50 0 IFAARN Cn1cc(C(=O)NCc2c(F)cccc2F)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000009820090 569569366 /nfs/dbraw/zinc/56/93/66/569569366.db2.gz VQRDKKGLIUDLBV-UHFFFAOYSA-N 0 0 444.825 2.879 50 0 IFAARN CCOc1ccc(NC(=O)CS(=O)(=O)c2ncc(-c3ccc(OC)cc3)n2C)cc1 ZINC000009828776 569569919 /nfs/dbraw/zinc/56/99/19/569569919.db2.gz OMLCUJDDUVYMLF-UHFFFAOYSA-N 0 0 429.498 2.907 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(nc1-n1nc(C)cc1C)CCCC2 ZINC000009828810 569569920 /nfs/dbraw/zinc/56/99/20/569569920.db2.gz RGYRTERHQDIVFM-UHFFFAOYSA-N 0 0 449.511 2.740 50 0 IFAARN COc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)cc1 ZINC000009829481 569570109 /nfs/dbraw/zinc/57/01/09/569570109.db2.gz WNPCBTPEDUGGBW-UHFFFAOYSA-N 0 0 447.470 2.951 50 0 IFAARN CCOc1ccc(CC(=O)N(c2ccc(OC)cc2OC)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000009833895 569570407 /nfs/dbraw/zinc/57/04/07/569570407.db2.gz QHZVKTSEYPVRLG-KRWDZBQOSA-N 0 0 431.510 2.989 50 0 IFAARN CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)[C@@H]1CCC(=O)N1 ZINC000009834928 569570627 /nfs/dbraw/zinc/57/06/27/569570627.db2.gz YMQYSCLTUDYIPI-PZJWPPBQSA-N 0 0 443.569 2.639 50 0 IFAARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000009838367 569570856 /nfs/dbraw/zinc/57/08/56/569570856.db2.gz BMGBBZLWSAGTSB-UHFFFAOYSA-N 0 0 436.795 2.953 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C)c(C)cc3C)n2)cc1 ZINC000009844507 569570880 /nfs/dbraw/zinc/57/08/80/569570880.db2.gz BZFMNFHYXAGSNA-UHFFFAOYSA-N 0 0 427.526 2.823 50 0 IFAARN COc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c(OC)c1 ZINC000009844714 569570940 /nfs/dbraw/zinc/57/09/40/569570940.db2.gz PIILPHRAQPBDLX-UHFFFAOYSA-N 0 0 449.916 2.559 50 0 IFAARN CCc1nn(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(=O)c2cc3sccc3n21 ZINC000009848556 569571226 /nfs/dbraw/zinc/57/12/26/569571226.db2.gz XQGLBZXCDVTJRF-ZDUSSCGKSA-N 0 0 438.509 2.922 50 0 IFAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000009854845 569571482 /nfs/dbraw/zinc/57/14/82/569571482.db2.gz JBIIZYLFFJPCNY-CYBMUJFWSA-N 0 0 444.962 2.506 50 0 IFAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)cc2oc1=O ZINC000009856256 569571626 /nfs/dbraw/zinc/57/16/26/569571626.db2.gz TUPRJFBFIGCQFQ-KRWDZBQOSA-N 0 0 447.557 2.539 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1 ZINC000009860666 569571874 /nfs/dbraw/zinc/57/18/74/569571874.db2.gz AYJMRYLQXJQVBC-OALUTQOASA-N 0 0 429.567 2.914 50 0 IFAARN O=C([C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1)N1CCOCC1 ZINC000009861483 569572020 /nfs/dbraw/zinc/57/20/20/569572020.db2.gz AKEOOXNUQCRLBU-HXUWFJFHSA-N 0 0 447.582 2.558 50 0 IFAARN C[C@H](NC(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1cc2ccccc2o1 ZINC000009862119 569572079 /nfs/dbraw/zinc/57/20/79/569572079.db2.gz ULXVDMVWTPQFOV-KBPBESRZSA-N 0 0 448.570 2.508 50 0 IFAARN C[C@H](NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc2c(c1)OCO2 ZINC000009875378 569572641 /nfs/dbraw/zinc/57/26/41/569572641.db2.gz UWOQVQSIPSUNQO-AWEZNQCLSA-N 0 0 449.554 2.564 50 0 IFAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1nonc1NC(C)=O ZINC000009877549 569572670 /nfs/dbraw/zinc/57/26/70/569572670.db2.gz RDPKJIYGMJJMNI-UHFFFAOYSA-N 0 0 435.897 2.999 50 0 IFAARN COc1ccc(N(CC(=O)NCC(F)(F)F)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000009885319 569572834 /nfs/dbraw/zinc/57/28/34/569572834.db2.gz TXKDJIUSLFBQLE-UHFFFAOYSA-N 0 0 444.431 2.772 50 0 IFAARN NC(=O)c1ccc(N2CCCC2)c(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 ZINC000009905158 569573077 /nfs/dbraw/zinc/57/30/77/569573077.db2.gz AHXBZYFGBSPJEP-UHFFFAOYSA-N 0 0 442.825 2.858 50 0 IFAARN C[C@@H](Sc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000009915984 569573380 /nfs/dbraw/zinc/57/33/80/569573380.db2.gz KKHUXXYNFNOXKU-CQSZACIVSA-N 0 0 426.510 2.979 50 0 IFAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000071279795 569573546 /nfs/dbraw/zinc/57/35/46/569573546.db2.gz FZRIUXRLGKDXKO-UONOGXRCSA-N 0 0 435.502 2.701 50 0 IFAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000071279794 569573548 /nfs/dbraw/zinc/57/35/48/569573548.db2.gz FZRIUXRLGKDXKO-ZIAGYGMSSA-N 0 0 435.502 2.701 50 0 IFAARN Cc1noc(C)c1CN1CC[NH+](C[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])CC1 ZINC000071280397 569573619 /nfs/dbraw/zinc/57/36/19/569573619.db2.gz QUCMSCOCJWXLPF-MRXNPFEDSA-N 0 0 434.924 2.792 50 0 IFAARN COc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1 ZINC000009936244 569573821 /nfs/dbraw/zinc/57/38/21/569573821.db2.gz FKBMNQSNUXFRPD-UHFFFAOYSA-N 0 0 446.301 2.558 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O ZINC000009937850 569573850 /nfs/dbraw/zinc/57/38/50/569573850.db2.gz DXNXVSYCSLKPKJ-UHFFFAOYSA-N 0 0 435.461 2.639 50 0 IFAARN CSc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000009948864 569574124 /nfs/dbraw/zinc/57/41/24/569574124.db2.gz GIGUTJWLUNGVCX-JOCHJYFZSA-N 0 0 441.509 2.976 50 0 IFAARN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009951057 569574411 /nfs/dbraw/zinc/57/44/11/569574411.db2.gz PLNZWPXHMFTJFK-CYBMUJFWSA-N 0 0 443.554 2.911 50 0 IFAARN O=C(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)NCc1ccc2c(c1)OCO2 ZINC000009957573 569574804 /nfs/dbraw/zinc/57/48/04/569574804.db2.gz DVTSVSACFCTHIT-UHFFFAOYSA-N 0 0 439.468 2.519 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(OC)ccc2OC)c1C ZINC000071327300 569575205 /nfs/dbraw/zinc/57/52/05/569575205.db2.gz SOIPOVVAIVIILH-UHFFFAOYSA-N 0 0 439.472 2.893 50 0 IFAARN COc1cc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)cc(OC)c1 ZINC000071327281 569575245 /nfs/dbraw/zinc/57/52/45/569575245.db2.gz QLOJTXOZZBOMEK-UHFFFAOYSA-N 0 0 431.399 2.773 50 0 IFAARN CCc1cccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c1 ZINC000071328358 569575511 /nfs/dbraw/zinc/57/55/11/569575511.db2.gz BFNPTIQPDCBLSS-UHFFFAOYSA-N 0 0 447.451 2.993 50 0 IFAARN CCc1ccccc1NC(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O ZINC000071328356 569575518 /nfs/dbraw/zinc/57/55/18/569575518.db2.gz OECCMPRSNYEDOX-UHFFFAOYSA-N 0 0 447.451 2.993 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1 ZINC000071328297 569575528 /nfs/dbraw/zinc/57/55/28/569575528.db2.gz JWDGDLHOAYDKLM-UHFFFAOYSA-N 0 0 447.451 2.879 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000009963911 569575829 /nfs/dbraw/zinc/57/58/29/569575829.db2.gz CNHKGARKXQWFLY-UHFFFAOYSA-N 0 0 428.869 2.638 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1C ZINC000009974556 569576469 /nfs/dbraw/zinc/57/64/69/569576469.db2.gz MTVJNRDEMCCTTD-HNNXBMFYSA-N 0 0 432.498 2.772 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=S)NC[C@@H]2CCCO2)c1 ZINC000009981083 569576518 /nfs/dbraw/zinc/57/65/18/569576518.db2.gz GANASJZNRCDHDH-INIZCTEOSA-N 0 0 440.635 2.783 50 0 IFAARN CCOc1cc2c(cc1OCC)CN(C(=O)CCc1ccc(S(=O)(=O)NC)cc1)CC2 ZINC000009989840 569576863 /nfs/dbraw/zinc/57/68/63/569576863.db2.gz RTFUCOJRKMVQKE-UHFFFAOYSA-N 0 0 446.569 2.910 50 0 IFAARN Cc1cc(=O)c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)nn1-c1ccccc1F ZINC000009993357 569576956 /nfs/dbraw/zinc/57/69/56/569576956.db2.gz BLFQHOPMJHASAJ-UHFFFAOYSA-N 0 0 447.470 2.800 50 0 IFAARN CCOC(=O)c1sc2nc(C)n(CC(=O)Nc3ccc(OC)cc3OC)c(=O)c2c1C ZINC000010013055 569577047 /nfs/dbraw/zinc/57/70/47/569577047.db2.gz BIAAJKMNCCODSK-UHFFFAOYSA-N 0 0 445.497 2.907 50 0 IFAARN CCOc1ccc(CCNC(=O)COC(=O)c2cccc(NC(C)=O)c2)cc1OCC ZINC000010022152 569577194 /nfs/dbraw/zinc/57/71/94/569577194.db2.gz RSSXBBORQLLURJ-UHFFFAOYSA-N 0 0 428.485 2.958 50 0 IFAARN COc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc(Cl)c1OCC(N)=O ZINC000010034760 569577308 /nfs/dbraw/zinc/57/73/08/569577308.db2.gz UZHRVWWSYQJEAM-INIZCTEOSA-N 0 0 446.887 2.961 50 0 IFAARN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000010077848 569577700 /nfs/dbraw/zinc/57/77/00/569577700.db2.gz PFWSPAOIRNFQAB-UHFFFAOYSA-N 0 0 439.493 2.912 50 0 IFAARN Cc1c(C)n(-c2ccccc2OCc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000010102952 569577801 /nfs/dbraw/zinc/57/78/01/569577801.db2.gz OLIJMXBOPWMTLB-UHFFFAOYSA-N 0 0 429.480 2.871 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1-c1ccccc1OCc1ccc(C)cc1 ZINC000010102914 569577816 /nfs/dbraw/zinc/57/78/16/569577816.db2.gz CDDQRHUHECDLCH-UHFFFAOYSA-N 0 0 429.480 2.871 50 0 IFAARN COc1ccc(Cl)cc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C ZINC000010102746 569577852 /nfs/dbraw/zinc/57/78/52/569577852.db2.gz IPZSERBYMTUNRN-UHFFFAOYSA-N 0 0 437.887 2.759 50 0 IFAARN CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cccs1 ZINC000010139223 569578119 /nfs/dbraw/zinc/57/81/19/569578119.db2.gz CBMPCFOWIRPKFX-KRWDZBQOSA-N 0 0 443.525 2.921 50 0 IFAARN CCn1c(C)cc2c(c1=O)[C@H](c1cc(Cl)c(OC)c(OC)c1)C(C(=O)OC)=C(N)O2 ZINC000010166099 569578165 /nfs/dbraw/zinc/57/81/65/569578165.db2.gz AJVRBXPRPZSZRC-HNNXBMFYSA-N 0 0 434.876 2.715 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)C[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000010186419 569578376 /nfs/dbraw/zinc/57/83/76/569578376.db2.gz QCCBQSQHRDBZPI-MRXNPFEDSA-N 0 0 436.892 2.980 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000010188046 569578772 /nfs/dbraw/zinc/57/87/72/569578772.db2.gz QHIYARHUHFBWCR-UHFFFAOYSA-N 0 0 430.482 2.817 50 0 IFAARN C[C@H](NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O)c1ccc(Br)cc1 ZINC000010198552 569578946 /nfs/dbraw/zinc/57/89/46/569578946.db2.gz AZKRJSGZFOEOFV-NSHDSACASA-N 0 0 436.697 2.722 50 0 IFAARN CCc1ccccc1NC(=O)CNC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000010213150 569579023 /nfs/dbraw/zinc/57/90/23/569579023.db2.gz NSKJNHZIDMZWMI-UHFFFAOYSA-N 0 0 446.573 2.717 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cn2c(=O)cnc3ccccc32)c1C ZINC000010214488 569579166 /nfs/dbraw/zinc/57/91/66/569579166.db2.gz QDABUQFNUWALLS-IBGZPJMESA-N 0 0 448.523 2.660 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)CSc2nnc(N)s2)cc1 ZINC000010231727 569579267 /nfs/dbraw/zinc/57/92/67/569579267.db2.gz OEXCCZHRQKLIKH-UHFFFAOYSA-N 0 0 435.556 2.960 50 0 IFAARN Cc1c(C)n(-c2ccccc2N)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n12 ZINC000010233677 569579654 /nfs/dbraw/zinc/57/96/54/569579654.db2.gz SUUFILWJQKRESA-UHFFFAOYSA-N 0 0 432.459 2.525 50 0 IFAARN O=C(NCc1ccccc1Cn1cccn1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000010235054 569579701 /nfs/dbraw/zinc/57/97/01/569579701.db2.gz HWNRZAYBDQJXCF-UHFFFAOYSA-N 0 0 444.582 2.710 50 0 IFAARN CCOc1cc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc(OCC)c1OCC ZINC000010250794 569579774 /nfs/dbraw/zinc/57/97/74/569579774.db2.gz QIALECXUVPXABG-UHFFFAOYSA-N 0 0 443.504 2.928 50 0 IFAARN Cc1ccc(-n2ncc3c2ncn(NC(=O)c2cc4ccccc4oc2=O)c3=O)cc1C ZINC000010252171 569579845 /nfs/dbraw/zinc/57/98/45/569579845.db2.gz DLFKEMKAFDIVES-UHFFFAOYSA-N 0 0 427.420 2.689 50 0 IFAARN Cc1ccc(-n2ncc3c2ncn(NC(=O)/C=C/c2ccc4c(c2)OCO4)c3=O)cc1C ZINC000010252088 569579882 /nfs/dbraw/zinc/57/98/82/569579882.db2.gz NCICNOJGMIOJQY-VMPITWQZSA-N 0 0 429.436 2.711 50 0 IFAARN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)c1 ZINC000010253486 569579952 /nfs/dbraw/zinc/57/99/52/569579952.db2.gz DLMWAYQNDULZMJ-UHFFFAOYSA-N 0 0 429.454 2.942 50 0 IFAARN CC(=O)Cn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccccc2F)n(C)c1=O ZINC000010271941 569580110 /nfs/dbraw/zinc/58/01/10/569580110.db2.gz HKLIVSHYRCHECS-UHFFFAOYSA-N 0 0 431.427 2.534 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1F ZINC000010272362 569580185 /nfs/dbraw/zinc/58/01/85/569580185.db2.gz OSUHACGAIHMTAB-UHFFFAOYSA-N 0 0 433.461 2.999 50 0 IFAARN CCN(CCCNC(=O)CCc1nnc2n1c1ccsc1c(=O)n2C)c1ccccc1 ZINC000010272471 569580199 /nfs/dbraw/zinc/58/01/99/569580199.db2.gz ZOLNIJXANHBEPE-UHFFFAOYSA-N 0 0 438.557 2.608 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000010273514 569580261 /nfs/dbraw/zinc/58/02/61/569580261.db2.gz BHYBZDXRTLQOFI-SFHVURJKSA-N 0 0 434.901 2.903 50 0 IFAARN Cc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCCC1 ZINC000010275794 569580428 /nfs/dbraw/zinc/58/04/28/569580428.db2.gz KTASAYHOHOJIGZ-SFHVURJKSA-N 0 0 430.526 2.739 50 0 IFAARN COc1ccc(Cl)cc1CN(C)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000010279863 569580458 /nfs/dbraw/zinc/58/04/58/569580458.db2.gz YQSLFHIYKDJONW-UHFFFAOYSA-N 0 0 429.904 2.864 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1ncc(Cl)c(Cl)c1=O ZINC000010284786 569580496 /nfs/dbraw/zinc/58/04/96/569580496.db2.gz MALKMYRQTFAYEP-UHFFFAOYSA-N 0 0 437.205 2.666 50 0 IFAARN O=C(CNC(=O)c1ccc(OC(F)F)cc1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000010294038 569580515 /nfs/dbraw/zinc/58/05/15/569580515.db2.gz DVJRWYVJUUQWMD-UHFFFAOYSA-N 0 0 447.438 2.601 50 0 IFAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000010286672 569580531 /nfs/dbraw/zinc/58/05/31/569580531.db2.gz AOLMZXACRDXAFE-UHFFFAOYSA-N 0 0 431.539 2.589 50 0 IFAARN O=C(c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)N1CCN(c2ccccn2)CC1 ZINC000071768221 569580663 /nfs/dbraw/zinc/58/06/63/569580663.db2.gz VNWQDMLUIHMYFK-UHFFFAOYSA-N 0 0 442.483 2.552 50 0 IFAARN COc1ccc(CCNC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)cc1OC ZINC000071768376 569580700 /nfs/dbraw/zinc/58/07/00/569580700.db2.gz GUUFIZHPEXMRJP-UHFFFAOYSA-N 0 0 434.456 2.615 50 0 IFAARN CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000071769053 569580843 /nfs/dbraw/zinc/58/08/43/569580843.db2.gz ICGQLCBZMVZLSN-UHFFFAOYSA-N 0 0 426.467 2.681 50 0 IFAARN COc1cccc(C(=O)N(CCN(C)C)c2nc3ccc(S(C)(=O)=O)cc3s2)c1 ZINC000010337339 569581272 /nfs/dbraw/zinc/58/12/72/569581272.db2.gz ZWDOSDUMPJUCJT-UHFFFAOYSA-N 0 0 433.555 2.917 50 0 IFAARN O=C(Nc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1Br ZINC000071807268 569581804 /nfs/dbraw/zinc/58/18/04/569581804.db2.gz OVZXRXSEZBVVBG-LBPRGKRZSA-N 0 0 437.315 2.618 50 0 IFAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000010423058 569581983 /nfs/dbraw/zinc/58/19/83/569581983.db2.gz CSNYTJFFNCTEST-UHFFFAOYSA-N 0 0 435.433 2.688 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)N[C@@H]1c1ccccc1 ZINC000010433665 569582155 /nfs/dbraw/zinc/58/21/55/569582155.db2.gz LEPYKVADZAXJGU-HXUWFJFHSA-N 0 0 428.510 2.948 50 0 IFAARN COc1ccc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1S(=O)(=O)N(C)C ZINC000010448582 569582285 /nfs/dbraw/zinc/58/22/85/569582285.db2.gz CKQYJIDATFHLRD-UHFFFAOYSA-N 0 0 431.518 2.832 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000010454739 569582379 /nfs/dbraw/zinc/58/23/79/569582379.db2.gz PGXWMXNSVUNIBG-SNVBAGLBSA-N 0 0 446.403 2.545 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)cc1 ZINC000071848924 569582413 /nfs/dbraw/zinc/58/24/13/569582413.db2.gz SQVGUPLNPVOQBH-UHFFFAOYSA-N 0 0 429.473 2.656 50 0 IFAARN O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000071850253 569582484 /nfs/dbraw/zinc/58/24/84/569582484.db2.gz YDQKTUUAXDGORG-QGZVFWFLSA-N 0 0 434.518 2.542 50 0 IFAARN CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(Cl)cc1)c(=O)n2CC(C)C ZINC000010488678 569582495 /nfs/dbraw/zinc/58/24/95/569582495.db2.gz MTRSJCUGTIHXQK-UHFFFAOYSA-N 0 0 431.924 2.964 50 0 IFAARN Cc1ccccc1CN(C)C(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(CC(C)C)c1=O ZINC000010488874 569582534 /nfs/dbraw/zinc/58/25/34/569582534.db2.gz LXIGAUSRFDNNAH-UHFFFAOYSA-N 0 0 439.560 2.639 50 0 IFAARN CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCn1nnc(-c2ccccc2)n1 ZINC000010496368 569582596 /nfs/dbraw/zinc/58/25/96/569582596.db2.gz CXJWDKWFWUDHID-UHFFFAOYSA-N 0 0 425.436 2.821 50 0 IFAARN O=C(CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)Nc1ccc2c(c1)OCO2 ZINC000010516850 569582714 /nfs/dbraw/zinc/58/27/14/569582714.db2.gz RXTKJRFGXOSSHM-HNNXBMFYSA-N 0 0 431.518 2.517 50 0 IFAARN Cc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)ccc1Br ZINC000010518355 569582716 /nfs/dbraw/zinc/58/27/16/569582716.db2.gz KLOIELMCOPVEEO-UHFFFAOYSA-N 0 0 445.360 2.999 50 0 IFAARN O=C(Nc1cccc(C(=O)Nc2nc3ccccc3s2)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000031813413 569583869 /nfs/dbraw/zinc/58/38/69/569583869.db2.gz FPXUHFMGQJZFBI-CQSZACIVSA-N 0 0 430.511 2.857 50 0 IFAARN Cc1ccc(-c2[nH]nc(NC(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)c2C)o1 ZINC000408518837 569584044 /nfs/dbraw/zinc/58/40/44/569584044.db2.gz DQFPIOMECCCMDD-UHFFFAOYSA-N 0 0 433.465 3.510 50 0 IFAARN COc1cc(C=C2SC(=NNc3nc(C)c(C(C)=O)s3)NC2=O)cc(OC)c1OC ZINC000048553238 569584195 /nfs/dbraw/zinc/58/41/95/569584195.db2.gz ABVCRYOTNDTFHZ-RIYZIHGNSA-N 0 0 448.526 3.267 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)CCCn3cnc4ccccc4c3=O)sc2c1 ZINC000024689180 569584904 /nfs/dbraw/zinc/58/49/04/569584904.db2.gz IQQXQPUFBZANPV-UHFFFAOYSA-N 0 0 442.522 2.829 50 0 IFAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1c[nH]c(=O)n(Cc2ccco2)c1=O ZINC000077099848 569585286 /nfs/dbraw/zinc/58/52/86/569585286.db2.gz XBTFKTRWIWTTMO-UHFFFAOYSA-N 0 0 427.420 2.745 50 0 IFAARN Cn1nc(N2CCC[C@@H](C(=O)Nc3c(-c4ccccc4)nc4ccccn43)C2)ccc1=O ZINC000077100982 569585494 /nfs/dbraw/zinc/58/54/94/569585494.db2.gz HVUHVZMYBSXNII-GOSISDBHSA-N 0 0 428.496 2.950 50 0 IFAARN Cc1cc(C(F)(F)F)nc(CCNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)n1 ZINC000077101109 569585525 /nfs/dbraw/zinc/58/55/25/569585525.db2.gz DJOYSQMQLJHEMJ-UHFFFAOYSA-N 0 0 429.464 2.887 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000077101225 569585566 /nfs/dbraw/zinc/58/55/66/569585566.db2.gz JXRSUHMAHLHELM-UHFFFAOYSA-N 0 0 441.475 2.897 50 0 IFAARN COc1ccc(Br)c(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c1 ZINC000077101253 569585576 /nfs/dbraw/zinc/58/55/76/569585576.db2.gz DRYZJWFJGYUAOG-UHFFFAOYSA-N 0 0 443.301 2.704 50 0 IFAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)CN(S(C)(=O)=O)CC2 ZINC000077155206 569585694 /nfs/dbraw/zinc/58/56/94/569585694.db2.gz SYXTVAHDBTVRHN-UHFFFAOYSA-N 0 0 429.951 2.910 50 0 IFAARN Cc1c(C(=O)N2CCc3nc(NC(=O)[C@@H]4CCCO4)sc3C2)cnn1-c1ccccc1 ZINC000077192012 569586025 /nfs/dbraw/zinc/58/60/25/569586025.db2.gz VHGYGNRQMFBANG-SFHVURJKSA-N 0 0 437.525 2.953 50 0 IFAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cccc(Cl)c1)CC2)c1cnccn1 ZINC000077196323 569586057 /nfs/dbraw/zinc/58/60/57/569586057.db2.gz PLOGEOVDKMILKD-UHFFFAOYSA-N 0 0 435.918 2.586 50 0 IFAARN COc1cc(NC(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc(OC)c1 ZINC000077196670 569586065 /nfs/dbraw/zinc/58/60/65/569586065.db2.gz FYKFLGJBUSJCIE-UHFFFAOYSA-N 0 0 435.488 2.859 50 0 IFAARN Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3sc(-c4cccs4)nc3C)n2)n1 ZINC000077196928 569586129 /nfs/dbraw/zinc/58/61/29/569586129.db2.gz FXLCAEDUXLYISU-UHFFFAOYSA-N 0 0 440.554 2.969 50 0 IFAARN COc1cc(OC)c(NC(=O)c2cn(C[C@@H](O)c3ccccc3OC)nn2)cc1Cl ZINC000077197251 569586137 /nfs/dbraw/zinc/58/61/37/569586137.db2.gz XOECCOUAUUNNGW-MRXNPFEDSA-N 0 0 432.864 2.943 50 0 IFAARN Cc1ncn(CC(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)c(=O)c1C ZINC000077197918 569586235 /nfs/dbraw/zinc/58/62/35/569586235.db2.gz GCNGFPRBTDVFGH-HNNXBMFYSA-N 0 0 427.505 2.924 50 0 IFAARN O=C1CCCN1c1cccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 ZINC000077200708 569586467 /nfs/dbraw/zinc/58/64/67/569586467.db2.gz WYYCXMMMAYMVCB-UHFFFAOYSA-N 0 0 449.554 2.544 50 0 IFAARN Cc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4nc5cccnc5n(C)c4=O)C3)c2c1 ZINC000033259576 569587339 /nfs/dbraw/zinc/58/73/39/569587339.db2.gz CYMPPKZAYNBSOP-GOSISDBHSA-N 0 0 444.539 2.694 50 0 IFAARN CC(C)CC(=O)N1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000033121460 569587373 /nfs/dbraw/zinc/58/73/73/569587373.db2.gz FAAMGZHZTNFCSU-UHFFFAOYSA-N 0 0 442.607 2.645 50 0 IFAARN COC(CNC(=O)Nc1ccc(-c2ccc(NC(=O)NCC(OC)OC)cc2)cc1)OC ZINC000040546106 569588116 /nfs/dbraw/zinc/58/81/16/569588116.db2.gz OKOKYTLRKQLQAO-UHFFFAOYSA-N 0 0 446.504 2.834 50 0 IFAARN Cc1sc2nc(SCC(=O)NCCCN3CCCC3=O)n(C(C)C)c(=O)c2c1C ZINC000012928742 121368803 /nfs/dbraw/zinc/36/88/03/121368803.db2.gz ZTTNVECLIRQWBP-UHFFFAOYSA-N 0 0 436.603 2.877 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000000625838 193860947 /nfs/dbraw/zinc/86/09/47/193860947.db2.gz WUNTXRZTTOWDFR-UHFFFAOYSA-N 0 0 427.478 2.864 50 0 IFAARN COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)c1 ZINC000000642320 193868165 /nfs/dbraw/zinc/86/81/65/193868165.db2.gz KLNSPHNTSZOGCT-UHFFFAOYSA-N 0 0 429.477 2.624 50 0 IFAARN Cn1c2nc(SCC(=O)Nc3ccccc3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000000662964 193877148 /nfs/dbraw/zinc/87/71/48/193877148.db2.gz QMLWXZSDYFGNGF-UHFFFAOYSA-N 0 0 449.536 2.787 50 0 IFAARN O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000006152645 193885873 /nfs/dbraw/zinc/88/58/73/193885873.db2.gz MZFPGAXBHCHSIN-UHFFFAOYSA-N 0 0 427.448 2.818 50 0 IFAARN COc1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)c(OC)c1 ZINC000051317028 193924098 /nfs/dbraw/zinc/92/40/98/193924098.db2.gz UXVNBZULNMLJIV-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1 ZINC000051317045 193924206 /nfs/dbraw/zinc/92/42/06/193924206.db2.gz GECLOZUHXUDTHF-UHFFFAOYSA-N 0 0 431.452 2.600 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCc1c(F)cccc1F ZINC000055036020 193931838 /nfs/dbraw/zinc/93/18/38/193931838.db2.gz KCAKVMKQUFUDOA-GOSISDBHSA-N 0 0 441.400 2.991 50 0 IFAARN O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCN(c2ccccc2)CC1 ZINC000009489708 132232165 /nfs/dbraw/zinc/23/21/65/132232165.db2.gz QZVXPDOICPRAFD-UHFFFAOYSA-N 0 0 431.525 2.627 50 0 IFAARN CCOc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccccc4OC)CC3)CC2=O)cc1 ZINC000009519967 132233397 /nfs/dbraw/zinc/23/33/97/132233397.db2.gz NYKVJMIVGQGUAS-SFHVURJKSA-N 0 0 438.528 2.731 50 0 IFAARN COc1cccc(N2C[C@H](NC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)CC2=O)c1 ZINC000009519954 132233445 /nfs/dbraw/zinc/23/34/45/132233445.db2.gz CJYUQRUOUKZUHE-LJQANCHMSA-N 0 0 436.512 2.535 50 0 IFAARN CCOc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 ZINC000000916351 132233925 /nfs/dbraw/zinc/23/39/25/132233925.db2.gz PRXYCZDSDSPENN-KRWDZBQOSA-N 0 0 449.548 2.728 50 0 IFAARN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000009574126 132236281 /nfs/dbraw/zinc/23/62/81/132236281.db2.gz QRGXPFJPMRLMSC-UHFFFAOYSA-N 0 0 431.471 2.777 50 0 IFAARN Cc1ccc(/C=C/S(=O)(=O)NCCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000009847218 132241634 /nfs/dbraw/zinc/24/16/34/132241634.db2.gz RHRZPLPMNMMDAG-GZTJUZNOSA-N 0 0 429.542 2.751 50 0 IFAARN O=C(c1ccc(F)cc1)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 ZINC000009849651 132241867 /nfs/dbraw/zinc/24/18/67/132241867.db2.gz ZIYRTTJMJVTQBU-UHFFFAOYSA-N 0 0 437.866 2.965 50 0 IFAARN O=C(/C=C\c1ccccc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000010256376 132244131 /nfs/dbraw/zinc/24/41/31/132244131.db2.gz QZWBNYAUBLTRAC-KTKRTIGZSA-N 0 0 429.459 2.712 50 0 IFAARN O=C(NC[C@@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1 ZINC000001494180 132245856 /nfs/dbraw/zinc/24/58/56/132245856.db2.gz KGFYHTZWPPHNLQ-CQSZACIVSA-N 0 0 435.889 2.520 50 0 in-vitro IFAARN CCc1ccc(OCC(=O)NC(=S)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 ZINC000002240569 132249748 /nfs/dbraw/zinc/24/97/48/132249748.db2.gz QLPKCFGLFIVAKF-UHFFFAOYSA-N 0 0 440.569 2.810 50 0 IFAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000002391477 132253499 /nfs/dbraw/zinc/25/34/99/132253499.db2.gz FOZWJHMEPVDZFK-SFHVURJKSA-N 0 0 431.533 2.575 50 0 IFAARN O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000002460757 132254699 /nfs/dbraw/zinc/25/46/99/132254699.db2.gz XLWVKIXPIOBILT-UHFFFAOYSA-N 0 0 432.933 2.534 50 0 IFAARN O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000002650073 132255956 /nfs/dbraw/zinc/25/59/56/132255956.db2.gz PHHLHFDGJDXROI-UHFFFAOYSA-N 0 0 425.492 2.802 50 0 IFAARN O=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)N1CCCc2ccccc21 ZINC000002876364 132258015 /nfs/dbraw/zinc/25/80/15/132258015.db2.gz QNIYJWBJCYIWPW-UHFFFAOYSA-N 0 0 431.492 2.662 50 0 IFAARN CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC000003320145 132263674 /nfs/dbraw/zinc/26/36/74/132263674.db2.gz DZHMUUZHUBURIR-UHFFFAOYSA-N 0 0 436.917 2.774 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)cc1 ZINC000003310700 132263686 /nfs/dbraw/zinc/26/36/86/132263686.db2.gz GRQRJORISCFVFI-KRWDZBQOSA-N 0 0 430.526 2.527 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000003316937 132263764 /nfs/dbraw/zinc/26/37/64/132263764.db2.gz TWISERKDGSNUJB-UHFFFAOYSA-N 0 0 437.562 2.563 50 0 IFAARN COc1ccc2c(CN(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000003408616 132265025 /nfs/dbraw/zinc/26/50/25/132265025.db2.gz KHGJVKZJUFECJN-UHFFFAOYSA-N 0 0 437.496 2.709 50 0 IFAARN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OC)c3)cc2)CC1 ZINC000004121639 132270172 /nfs/dbraw/zinc/27/01/72/132270172.db2.gz YCFDBMQLFFWLFX-UHFFFAOYSA-N 0 0 426.542 2.881 50 0 IFAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000004326436 132271687 /nfs/dbraw/zinc/27/16/87/132271687.db2.gz ZMNOFWQZGBGQQO-UHFFFAOYSA-N 0 0 437.500 2.509 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000004763691 132273648 /nfs/dbraw/zinc/27/36/48/132273648.db2.gz WUOCTSYHBZZMNU-UHFFFAOYSA-N 0 0 446.960 2.842 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CCCn3c(=O)[nH]c4ccsc4c3=O)C[C@H]2C)c1 ZINC000004763863 132273759 /nfs/dbraw/zinc/27/37/59/132273759.db2.gz CSYCPYZOCGKHGJ-MRXNPFEDSA-N 0 0 426.542 2.577 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000004767811 132273962 /nfs/dbraw/zinc/27/39/62/132273962.db2.gz FOMQCSCCKRHSED-UHFFFAOYSA-N 0 0 431.489 2.918 50 0 IFAARN CCNC(=O)c1ccc(CSc2nc(C)c(C)c(N3CCN(C(C)=O)CC3)n2)cc1 ZINC000006694831 132278158 /nfs/dbraw/zinc/27/81/58/132278158.db2.gz WVAOSPYVIYVTCT-UHFFFAOYSA-N 0 0 427.574 2.804 50 0 IFAARN CCNC(=O)c1ccc(CSc2nc(CC)cc(N3CCN(C(C)=O)CC3)n2)cc1 ZINC000006802005 132279120 /nfs/dbraw/zinc/27/91/20/132279120.db2.gz OSROWBDWBGOMBC-UHFFFAOYSA-N 0 0 427.574 2.750 50 0 IFAARN COc1ccc(OC)c(CCNC(=O)[C@@H]2CCCN(c3ncnc4onc(C)c43)C2)c1 ZINC000007004793 132280218 /nfs/dbraw/zinc/28/02/18/132280218.db2.gz AZEQJPUYDQXNAZ-MRXNPFEDSA-N 0 0 425.489 2.519 50 0 IFAARN O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000008587404 132282859 /nfs/dbraw/zinc/28/28/59/132282859.db2.gz YMRVESHDNPXQQO-UHFFFAOYSA-N 0 0 445.560 2.716 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1c(C)cccc1C)C(=O)CO2 ZINC000008598403 132285754 /nfs/dbraw/zinc/28/57/54/132285754.db2.gz YCDZWPSHZLWVPK-UHFFFAOYSA-N 0 0 445.541 2.698 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H]1CCCCN21 ZINC000008610678 132288227 /nfs/dbraw/zinc/28/82/27/132288227.db2.gz OPXWKZVYPWYGPQ-HXUWFJFHSA-N 0 0 438.503 2.549 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)c(C)c1 ZINC000008673291 132290140 /nfs/dbraw/zinc/29/01/40/132290140.db2.gz FSEWVTDCDNGIRC-UHFFFAOYSA-N 0 0 433.555 2.631 50 0 IFAARN CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1=O ZINC000008825468 132295281 /nfs/dbraw/zinc/29/52/81/132295281.db2.gz MCSJQXBWPLBRQI-KRWDZBQOSA-N 0 0 449.507 2.909 50 0 IFAARN O=C(NCc1noc(-c2ccccc2)n1)[C@@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000008992249 132299726 /nfs/dbraw/zinc/29/97/26/132299726.db2.gz SKTJXOVKIFUGNT-CYBMUJFWSA-N 0 0 438.879 2.589 50 0 IFAARN O=C([C@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1)N1CCN(c2ccccc2)CC1 ZINC000008992906 132300060 /nfs/dbraw/zinc/30/00/60/132300060.db2.gz JTNWOZQADZMADN-HNNXBMFYSA-N 0 0 425.924 2.572 50 0 IFAARN COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)c1 ZINC000009016118 132301128 /nfs/dbraw/zinc/30/11/28/132301128.db2.gz KRGQRVSZJGZMFG-UHFFFAOYSA-N 0 0 431.496 2.804 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000009060884 132301580 /nfs/dbraw/zinc/30/15/80/132301580.db2.gz BQBFAIGILCCCLC-NRFANRHFSA-N 0 0 431.533 2.636 50 0 IFAARN COc1ccc(OC)c(N2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)c1 ZINC000009095613 132302802 /nfs/dbraw/zinc/30/28/02/132302802.db2.gz AFEQZBJJFOOLAI-INIZCTEOSA-N 0 0 427.476 2.545 50 0 IFAARN Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C[C@H]2C)c1 ZINC000009120244 132304704 /nfs/dbraw/zinc/30/47/04/132304704.db2.gz WLHMDQWVJUHDKN-RTBURBONSA-N 0 0 435.524 2.856 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009153026 132307068 /nfs/dbraw/zinc/30/70/68/132307068.db2.gz AERZSVZREAWFCD-KRWDZBQOSA-N 0 0 448.527 2.814 50 0 IFAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009159915 132307272 /nfs/dbraw/zinc/30/72/72/132307272.db2.gz VDJVFVLKVWXSSK-UHFFFAOYSA-N 0 0 433.505 2.968 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C(=O)N1CCCCCC1 ZINC000009191378 132307973 /nfs/dbraw/zinc/30/79/73/132307973.db2.gz HFFXSJWQLKQJRS-UHFFFAOYSA-N 0 0 443.525 2.859 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 ZINC000009192190 132308183 /nfs/dbraw/zinc/30/81/83/132308183.db2.gz BELKNJSXEGOTSX-UHFFFAOYSA-N 0 0 443.569 2.507 50 0 IFAARN C[C@@H](NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)c1cc2ccccc2o1 ZINC000009207621 132308503 /nfs/dbraw/zinc/30/85/03/132308503.db2.gz DGIRDFKFEIPPJX-UZUQRXQVSA-N 0 0 449.507 2.736 50 0 IFAARN O=C(Cn1nnc(-c2ccsc2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009206785 132308506 /nfs/dbraw/zinc/30/85/06/132308506.db2.gz NZJHYYNKKFOMPL-UHFFFAOYSA-N 0 0 438.435 2.896 50 0 IFAARN CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000009215808 132309405 /nfs/dbraw/zinc/30/94/05/132309405.db2.gz IIWDOUYSHMKYQW-WMZHIEFXSA-N 0 0 438.915 2.676 50 0 IFAARN O=C(CN1C(=O)COc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009222817 132309671 /nfs/dbraw/zinc/30/96/71/132309671.db2.gz UFRYSGXCBXEMHY-UHFFFAOYSA-N 0 0 435.402 2.906 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2ncc3c4cc(C)ccc4[nH]c3c2=O)CC1 ZINC000009225877 132309764 /nfs/dbraw/zinc/30/97/64/132309764.db2.gz MXIRLGDFYSHNOB-UHFFFAOYSA-N 0 0 431.496 2.544 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000009228503 132310025 /nfs/dbraw/zinc/31/00/25/132310025.db2.gz HRQNLKMMBNDUEK-UHFFFAOYSA-N 0 0 433.574 2.946 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)Cc2ccccc2)c1 ZINC000009285743 132312481 /nfs/dbraw/zinc/31/24/81/132312481.db2.gz CWTZRCPAWOERSX-UHFFFAOYSA-N 0 0 444.601 2.650 50 0 IFAARN CCCCN(C(=O)CN1c2ccccc2CC[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000009461414 132318190 /nfs/dbraw/zinc/31/81/90/132318190.db2.gz LQZJSCWYBUHZTH-QGZVFWFLSA-N 0 0 441.576 2.749 50 0 IFAARN COc1c(F)c(F)cc2c(=O)c(C(=O)N3CCN(c4ccccn4)CC3)cn(C3CC3)c21 ZINC000009482515 132319049 /nfs/dbraw/zinc/31/90/49/132319049.db2.gz JUTLSWYBYJBHQH-UHFFFAOYSA-N 0 0 440.450 2.981 50 0 IFAARN Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(CN3C(=O)c4cccnc4C3=O)cc1)CCO2 ZINC000009503458 132319663 /nfs/dbraw/zinc/31/96/63/132319663.db2.gz YCHAKCQTZLPPEG-UHFFFAOYSA-N 0 0 449.488 2.774 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)o2)cc1OC ZINC000009507637 132319841 /nfs/dbraw/zinc/31/98/41/132319841.db2.gz ASSMSLYHROQMGH-UHFFFAOYSA-N 0 0 426.454 2.831 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1-n1cnnn1 ZINC000009592865 132322521 /nfs/dbraw/zinc/32/25/21/132322521.db2.gz AQHRMEMAZNVFKY-UHFFFAOYSA-N 0 0 438.488 2.549 50 0 IFAARN O=C([C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)N1CCN(c2ccccn2)CC1 ZINC000009608971 132323299 /nfs/dbraw/zinc/32/32/99/132323299.db2.gz LILUZBGIHFXODX-QHCPKHFHSA-N 0 0 426.520 2.998 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1C(=O)N1CCCCC1 ZINC000009684436 132325852 /nfs/dbraw/zinc/32/58/52/132325852.db2.gz ZBPFSWOAHAUCNI-UHFFFAOYSA-N 0 0 430.574 2.769 50 0 IFAARN O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1N1CCOCC1 ZINC000009717078 132327376 /nfs/dbraw/zinc/32/73/76/132327376.db2.gz VSHQELFSTXFZSU-UHFFFAOYSA-N 0 0 444.495 2.517 50 0 IFAARN O=C(/C=C/c1nc2ccccc2s1)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009738998 132328109 /nfs/dbraw/zinc/32/81/09/132328109.db2.gz GFYZEOLQRTXNKF-JBVUFVISSA-N 0 0 435.505 2.963 50 0 IFAARN O=C(CSc1nc2ccccc2o1)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009755673 132328336 /nfs/dbraw/zinc/32/83/36/132328336.db2.gz YIVQWRGDQFKHAW-IBGZPJMESA-N 0 0 439.493 2.573 50 0 IFAARN CCCCN1C(=O)C[C@H](C(=O)N2CCN(c3ncccn3)CC2)[C@H]1c1ccc(OC)cc1 ZINC000009764364 132328656 /nfs/dbraw/zinc/32/86/56/132328656.db2.gz RPYHOAZVWPIQLN-RBBKRZOGSA-N 0 0 437.544 2.524 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 ZINC000009938791 132332415 /nfs/dbraw/zinc/33/24/15/132332415.db2.gz QPZQSQCFCAUBLR-CYBMUJFWSA-N 0 0 429.523 2.980 50 0 IFAARN Cn1c(SCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)nnc1C(F)(F)F ZINC000009951212 132332773 /nfs/dbraw/zinc/33/27/73/132332773.db2.gz MTTYJEHOBIYQDR-UHFFFAOYSA-N 0 0 434.465 2.521 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc21 ZINC000010220121 132335127 /nfs/dbraw/zinc/33/51/27/132335127.db2.gz QCMITXLTOLAFRG-UHFFFAOYSA-N 0 0 447.601 2.654 50 0 IFAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000011117335 132337370 /nfs/dbraw/zinc/33/73/70/132337370.db2.gz BKOABFQJEODAFF-UHFFFAOYSA-N 0 0 444.539 2.980 50 0 IFAARN O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(c2ccc(F)cc2)CC1 ZINC000011613620 132338304 /nfs/dbraw/zinc/33/83/04/132338304.db2.gz PIJBNPYPIJYQAZ-KRWDZBQOSA-N 0 0 428.533 2.647 50 0 IFAARN O=C(Cc1cccs1)NCCn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1 ZINC000011666033 132338423 /nfs/dbraw/zinc/33/84/23/132338423.db2.gz VVJFXKQHDBVJHX-UHFFFAOYSA-N 0 0 447.568 2.573 50 0 IFAARN Cc1nc(N2CCC(C(=O)N3CCC(C)CC3)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000011789015 132339870 /nfs/dbraw/zinc/33/98/70/132339870.db2.gz PZCVWCQCMNYKLJ-UHFFFAOYSA-N 0 0 430.574 2.817 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(-c3csc(CC(=O)NCc4ccco4)n3)ccc21 ZINC000012972225 132341145 /nfs/dbraw/zinc/34/11/45/132341145.db2.gz FJJADODYZDRGEW-UHFFFAOYSA-N 0 0 431.539 2.974 50 0 IFAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1 ZINC000013009129 132342209 /nfs/dbraw/zinc/34/22/09/132342209.db2.gz ORAMDQPRPUTERN-UHFFFAOYSA-N 0 0 426.908 2.904 50 0 IFAARN O=C(c1cc2ccccc2o1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000013036824 132342707 /nfs/dbraw/zinc/34/27/07/132342707.db2.gz HNKKYBVOLAUYQC-UHFFFAOYSA-N 0 0 425.452 2.919 50 0 IFAARN CSc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000013036832 132342716 /nfs/dbraw/zinc/34/27/16/132342716.db2.gz HDMZZKCIYCPJQB-UHFFFAOYSA-N 0 0 431.525 2.895 50 0 IFAARN O=C(CSCc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000013036802 132342719 /nfs/dbraw/zinc/34/27/19/132342719.db2.gz UTXALMZAUIJOFK-UHFFFAOYSA-N 0 0 445.552 2.793 50 0 IFAARN COc1ccc(C=CC(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000013039157 132343117 /nfs/dbraw/zinc/34/31/17/132343117.db2.gz VTYZNXKBJSAZCH-LGWVBRRBSA-N 0 0 435.524 2.765 50 0 IFAARN O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)C1=NN(c2ccccc2)C(=O)CC1 ZINC000013098235 132344538 /nfs/dbraw/zinc/34/45/38/132344538.db2.gz SRAZPTMOFRFRLU-UHFFFAOYSA-N 0 0 436.493 2.861 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CCCN(c3nc(Cl)nc4nc[nH]c43)C2)cc(OC)c1OC ZINC000013549226 132349487 /nfs/dbraw/zinc/34/94/87/132349487.db2.gz UOOKJROQXBLCOU-LLVKDONJSA-N 0 0 446.895 2.887 50 0 IFAARN COc1ccc(N([C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)S(C)(=O)=O)cc1 ZINC000013566754 132350374 /nfs/dbraw/zinc/35/03/74/132350374.db2.gz HYCJITWYLNYMNQ-IBGZPJMESA-N 0 0 445.585 2.815 50 0 IFAARN Cc1cc(N2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)nc2ccccc12 ZINC000013653785 132352448 /nfs/dbraw/zinc/35/24/48/132352448.db2.gz ACXONHNRGMTJEE-UHFFFAOYSA-N 0 0 428.492 2.878 50 0 IFAARN COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ncccn4)CC3)s2)cc1OC ZINC000013725145 132354204 /nfs/dbraw/zinc/35/42/04/132354204.db2.gz VHCRUVQLRSTSRU-UHFFFAOYSA-N 0 0 425.514 2.888 50 0 IFAARN COCCn1c(C)cc(O)c([C@@H](c2cccnc2)N2CCN(c3ccccc3)CC2)c1=O ZINC000016993448 132357130 /nfs/dbraw/zinc/35/71/30/132357130.db2.gz LCYOXWOPQCQHTG-XMMPIXPASA-N 0 0 434.540 2.815 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1C ZINC000012806987 518230345 /nfs/dbraw/zinc/23/03/45/518230345.db2.gz UPJKHWFYPUEWOT-JCQPUDPBSA-N 0 0 439.468 2.687 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CNc1ccccc1C(=O)NC[C@@H]1CCCO1)OCO2 ZINC000012640572 518293044 /nfs/dbraw/zinc/29/30/44/518293044.db2.gz NCCROUJPSDNMJU-HNNXBMFYSA-N 0 0 439.468 2.577 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(c3ccccc3Cl)C1=O)OCO2 ZINC000012772779 518293286 /nfs/dbraw/zinc/29/32/86/518293286.db2.gz DMBCSLRFIOLNAL-NRFANRHFSA-N 0 0 443.843 2.677 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)Cn1nnc(-c3cccc(C(F)(F)F)c3)n1)OCO2 ZINC000023531428 518295153 /nfs/dbraw/zinc/29/51/53/518295153.db2.gz MKANRQLOSUGOBZ-UHFFFAOYSA-N 0 0 433.346 2.929 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000013055879 518404059 /nfs/dbraw/zinc/40/40/59/518404059.db2.gz HNYQTJZAQYOGKN-UHFFFAOYSA-N 0 0 439.537 2.868 50 0 IFAARN CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c1 ZINC000020984696 518427302 /nfs/dbraw/zinc/42/73/02/518427302.db2.gz WBLCHAHCUXXFLF-UHFFFAOYSA-N 0 0 426.494 2.527 50 0 IFAARN CC(C)(C)NC(=O)CN1CCCN(CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000022789975 518728239 /nfs/dbraw/zinc/72/82/39/518728239.db2.gz QEZSEJXFPFGLBH-QHCPKHFHSA-N 0 0 442.629 2.876 50 0 IFAARN CC(C)(C)NC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012512071 518736189 /nfs/dbraw/zinc/73/61/89/518736189.db2.gz OJEYRLKYVUPGQV-UHFFFAOYSA-N 0 0 441.937 2.893 50 0 IFAARN CC(C)(C)c1cc(NC(=O)COC(=O)c2cccc(-n3cnnn3)c2)n(-c2ccccc2)n1 ZINC000009254129 519000604 /nfs/dbraw/zinc/00/06/04/519000604.db2.gz XUZYLKOGFLYLMF-UHFFFAOYSA-N 0 0 445.483 2.941 50 0 IFAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3sccc3C(N)=O)n2N)cc1 ZINC000013121240 519011555 /nfs/dbraw/zinc/01/15/55/519011555.db2.gz AVCLORJGRSUIFF-UHFFFAOYSA-N 0 0 430.559 2.848 50 0 IFAARN CC(=O)C[C@@H]1N(C2CCCCCC2)C(=O)[C@@H]2N(c3ccccc3C)C(=O)[C@H]3CC(=O)O[C@@]231 ZINC000035340072 519434192 /nfs/dbraw/zinc/43/41/92/519434192.db2.gz LCJFUACRXBTLBP-IHPZRLCESA-N 0 0 438.524 2.925 50 0 IFAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1(C)C ZINC000012849448 519443102 /nfs/dbraw/zinc/44/31/02/519443102.db2.gz PAUWUTPQRXWWKD-MOPGFXCFSA-N 0 0 433.574 2.750 50 0 IFAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(F)cc1F ZINC000015883668 519451177 /nfs/dbraw/zinc/45/11/77/519451177.db2.gz GNIWAFGEBQJIHZ-UHFFFAOYSA-N 0 0 448.495 2.840 50 0 IFAARN CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000020906940 519494252 /nfs/dbraw/zinc/49/42/52/519494252.db2.gz SBIQPCBSOFZWCL-UHFFFAOYSA-N 0 0 444.601 2.662 50 0 IFAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NCCCc3ccco3)cc1O2 ZINC000012296613 519521541 /nfs/dbraw/zinc/52/15/41/519521541.db2.gz ZDTYDLDJXOKMHN-UHFFFAOYSA-N 0 0 440.496 2.754 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 ZINC000012808020 519631776 /nfs/dbraw/zinc/63/17/76/519631776.db2.gz ZZGFXDAIHMZIAI-UHFFFAOYSA-N 0 0 448.932 2.718 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)[C@@H](C)CC(=O)NCCCc3ccccc3)ccc21 ZINC000021871864 519633469 /nfs/dbraw/zinc/63/34/69/519633469.db2.gz UPPOVOFOFDOODN-KRWDZBQOSA-N 0 0 428.554 2.897 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)cc2C[C@@H]1C ZINC000021867258 519639685 /nfs/dbraw/zinc/63/96/85/519639685.db2.gz OKIUCZRJNZZCSA-GJZGRUSLSA-N 0 0 425.514 2.604 50 0 IFAARN CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000016046350 519657104 /nfs/dbraw/zinc/65/71/04/519657104.db2.gz QPJKCESZTHCZNX-DEOSSOPVSA-N 0 0 437.496 2.662 50 0 IFAARN CC(=O)NCCCc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 ZINC000012762697 519660883 /nfs/dbraw/zinc/66/08/83/519660883.db2.gz XJICBTOLIVBXLQ-VWLOTQADSA-N 0 0 433.508 2.722 50 0 IFAARN CC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)NCCC3=CCCCC3)cc2C(=O)N1C ZINC000021875800 519662126 /nfs/dbraw/zinc/66/21/26/519662126.db2.gz VACLEWSGUUCQFN-QHCPKHFHSA-N 0 0 429.565 2.510 50 0 IFAARN CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1 ZINC000035267076 519682878 /nfs/dbraw/zinc/68/28/78/519682878.db2.gz OXNQACLGIKCTHW-QFIPXVFZSA-N 0 0 436.556 2.654 50 0 IFAARN CC(C)CN(C(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12)[C@H]1CCS(=O)(=O)C1 ZINC000012633929 519705581 /nfs/dbraw/zinc/70/55/81/519705581.db2.gz YCYNWJPFANYRIM-MAUKXSAKSA-N 0 0 434.587 2.825 50 0 IFAARN CC(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000021682313 519710211 /nfs/dbraw/zinc/71/02/11/519710211.db2.gz XUYKSWGODXQBFS-UHFFFAOYSA-N 0 0 430.313 2.660 50 0 IFAARN CC(C)NC(=O)c1cn(C2CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)nn1 ZINC000014993177 519718333 /nfs/dbraw/zinc/71/83/33/519718333.db2.gz GKJFYXHCRFLEAI-UHFFFAOYSA-N 0 0 438.557 2.946 50 0 IFAARN CC(C)CN1C(=O)[C@@H](C(C)C)NC12CCN(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000036014253 519719293 /nfs/dbraw/zinc/71/92/93/519719293.db2.gz UWOMINXEWKLSRM-GOSISDBHSA-N 0 0 427.998 2.933 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000012738505 519729961 /nfs/dbraw/zinc/72/99/61/519729961.db2.gz WOAWSBWDXSYLDJ-UHFFFAOYSA-N 0 0 427.526 2.891 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000012784836 519730815 /nfs/dbraw/zinc/73/08/15/519730815.db2.gz ITZFJFDXEGZPLZ-UHFFFAOYSA-N 0 0 444.340 2.889 50 0 IFAARN CC(C)OC(=O)C[C@@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1 ZINC000016140039 519748152 /nfs/dbraw/zinc/74/81/52/519748152.db2.gz HEEYMOMHYNWCQG-BISSLNBESA-N 0 0 429.517 2.686 50 0 IFAARN CC(=O)Nc1nnc(CCCCn2c3ccccc3nc2-c2nonc2NC(C)=O)s1 ZINC000012379564 519753630 /nfs/dbraw/zinc/75/36/30/519753630.db2.gz QJHUNDFWENDULX-UHFFFAOYSA-N 0 0 440.489 2.878 50 0 IFAARN CC(=O)[C@@H](C)n1c(Br)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C ZINC000012422029 519761336 /nfs/dbraw/zinc/76/13/36/519761336.db2.gz XKHZMMDFTGDNIH-SECBINFHSA-N 0 0 439.697 2.511 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000012109364 519798423 /nfs/dbraw/zinc/79/84/23/519798423.db2.gz UUKXQZFUJUWXBZ-LJQANCHMSA-N 0 0 433.505 2.660 50 0 IFAARN CC(C)[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 ZINC000012568352 519818474 /nfs/dbraw/zinc/81/84/74/519818474.db2.gz PPRRLQOQRHGKKG-DHLKQENFSA-N 0 0 449.507 2.665 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000012543768 519821242 /nfs/dbraw/zinc/82/12/42/519821242.db2.gz IOLTUNCHWCPUTH-FQEVSTJZSA-N 0 0 435.977 2.992 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NCCc1ccccc1 ZINC000021535763 519821294 /nfs/dbraw/zinc/82/12/94/519821294.db2.gz JOSWTASRVNVASR-QFIPXVFZSA-N 0 0 443.569 2.623 50 0 IFAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NC[C@@H](C)c2ccccc2)C1=O ZINC000035534752 519849207 /nfs/dbraw/zinc/84/92/07/519849207.db2.gz FGYRYJNEQHLTRE-MRXNPFEDSA-N 0 0 442.537 2.908 50 0 IFAARN CCCNC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000035559423 519881921 /nfs/dbraw/zinc/88/19/21/519881921.db2.gz XECAIOALWSGWHE-OAQYLSRUSA-N 0 0 429.542 2.849 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000021712851 519890747 /nfs/dbraw/zinc/89/07/47/519890747.db2.gz BGZQOYPCCAEWRI-IBGZPJMESA-N 0 0 433.505 2.757 50 0 IFAARN CCOCCCNC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 ZINC000033259279 519893635 /nfs/dbraw/zinc/89/36/35/519893635.db2.gz KBPZQKJCMBGHFG-FQEVSTJZSA-N 0 0 449.555 2.599 50 0 IFAARN CCOCCCNC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)cc1 ZINC000035458021 519894546 /nfs/dbraw/zinc/89/45/46/519894546.db2.gz JIMFXZMRKAHDKJ-QFIPXVFZSA-N 0 0 435.524 2.994 50 0 IFAARN CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000021712853 519896771 /nfs/dbraw/zinc/89/67/71/519896771.db2.gz BGZQOYPCCAEWRI-LJQANCHMSA-N 0 0 433.505 2.757 50 0 IFAARN CCCn1nnnc1COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccs1 ZINC000018274937 519897107 /nfs/dbraw/zinc/89/71/07/519897107.db2.gz YUNOUXOVEXPPGZ-UHFFFAOYSA-N 0 0 431.474 2.771 50 0 IFAARN CC(C)n1c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccccc5)C4)n3)cc2[nH]c(=O)c1=O ZINC000035481966 519924703 /nfs/dbraw/zinc/92/47/03/519924703.db2.gz ZTNROTVJTPVUAC-OAHLLOKOSA-N 0 0 431.452 2.841 50 0 IFAARN CCN(C(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O)C1CCCCC1 ZINC000012530454 519935230 /nfs/dbraw/zinc/93/52/30/519935230.db2.gz GCPBSTPEDAHSPU-UHFFFAOYSA-N 0 0 437.544 2.609 50 0 IFAARN CCOCCn1c2ccc(OC)cc2s/c1=N/C(=O)c1ccccc1S(C)(=O)=O ZINC000016689659 520071441 /nfs/dbraw/zinc/07/14/41/520071441.db2.gz PVGCPMHLLNNBKC-QZQOTICOSA-N 0 0 434.539 2.893 50 0 IFAARN CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000012818801 520126567 /nfs/dbraw/zinc/12/65/67/520126567.db2.gz BOKIXSYKIGDNIF-LBPRGKRZSA-N 0 0 442.925 2.552 50 0 IFAARN CCCOc1cc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nc(C)n1 ZINC000012223711 520311900 /nfs/dbraw/zinc/31/19/00/520311900.db2.gz AHLUZLPLFVYXLN-UHFFFAOYSA-N 0 0 430.505 2.562 50 0 IFAARN CCCCN(C(=O)[C@@H]1COc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012917379 520353885 /nfs/dbraw/zinc/35/38/85/520353885.db2.gz MVBRINCXOJPTFT-IBGZPJMESA-N 0 0 448.523 2.552 50 0 IFAARN CCOC(=O)C(NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)C(=O)OCC ZINC000012688562 520432981 /nfs/dbraw/zinc/43/29/81/520432981.db2.gz WDNOQIFRKQFCHK-UHFFFAOYSA-N 0 0 437.448 2.993 50 0 IFAARN CCOC(=O)C1=C(C)N(CC(=O)NCc2ccco2)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021351030 520475616 /nfs/dbraw/zinc/47/56/16/520475616.db2.gz YVGVBWFFMQRZDM-OAQYLSRUSA-N 0 0 435.484 2.742 50 0 IFAARN CCOC(=O)C1=C(C)N(CC(=O)NCc2cccnc2)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021350869 520475699 /nfs/dbraw/zinc/47/56/99/520475699.db2.gz MOLXQLAYJGPFTM-JOCHJYFZSA-N 0 0 446.511 2.544 50 0 IFAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ncc(C)s2)c2ncnn2[C@H]1c1ccccc1 ZINC000021350456 520476801 /nfs/dbraw/zinc/47/68/01/520476801.db2.gz YTKSNQVOPCCSMN-SFHVURJKSA-N 0 0 438.513 2.928 50 0 IFAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2nc(C)cs2)c2ncnn2[C@H]1c1ccccc1 ZINC000021350446 520477139 /nfs/dbraw/zinc/47/71/39/520477139.db2.gz KNIUMFJDLRVLIN-SFHVURJKSA-N 0 0 438.513 2.928 50 0 IFAARN CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000012761774 520477541 /nfs/dbraw/zinc/47/75/41/520477541.db2.gz PQATUAZIGSMRHW-GOEBONIOSA-N 0 0 446.447 2.796 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000022034108 520492628 /nfs/dbraw/zinc/49/26/28/520492628.db2.gz ZBLZOTRWAZSFLA-XGHXRCDJSA-N 0 0 439.924 2.847 50 0 IFAARN CCN(CC)C(=O)Cn1cc(C(=O)N(Cc2scnc2C)Cc2ccccc2)nn1 ZINC000012441138 520500684 /nfs/dbraw/zinc/50/06/84/520500684.db2.gz OBVJIYGUDNJWRL-UHFFFAOYSA-N 0 0 426.546 2.754 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(C)C(=O)N[C@H]1c1ccc(C)cc1 ZINC000035991466 520508361 /nfs/dbraw/zinc/50/83/61/520508361.db2.gz NZIDLSWINUBAHK-NRFANRHFSA-N 0 0 443.544 2.783 50 0 IFAARN CCOC(=O)C1=C(CN2CCO[C@@H](c3ccc(F)cc3)C2)NC(=O)N[C@H]1c1ccco1 ZINC000252463418 520518125 /nfs/dbraw/zinc/51/81/25/520518125.db2.gz NJFLXUQZVZHYAB-QUCCMNQESA-N 0 0 429.448 2.663 50 0 IFAARN CCOC(=O)C1=C(COC(=O)CSc2ccc(Br)cc2)NC(=O)N[C@@H]1C ZINC000022870349 520519859 /nfs/dbraw/zinc/51/98/59/520519859.db2.gz DIYZSSWNQSQBIM-SNVBAGLBSA-N 0 0 443.319 2.603 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@H](C)Oc2ccccc2)NC(=O)N[C@@H]1c1cccs1 ZINC000012804776 520522007 /nfs/dbraw/zinc/52/20/07/520522007.db2.gz URJAHKXTDAFIAK-SCLBCKFNSA-N 0 0 430.482 2.930 50 0 IFAARN CCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@@H](C(F)(F)F)C[C@H]2C)n(C)n1 ZINC000020606137 520542285 /nfs/dbraw/zinc/54/22/85/520542285.db2.gz ZLAIFHKHIZJRST-IUODEOHRSA-N 0 0 426.443 2.949 50 0 IFAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2nc(CC(N)=O)cs2)[C@H]1c1ccc(OC)cc1 ZINC000013006977 520560340 /nfs/dbraw/zinc/56/03/40/520560340.db2.gz JYPWELMUUQJECK-VQIMIIECSA-N 0 0 430.530 2.508 50 0 IFAARN CCOC(=O)C1CCN(C(=O)COC(=O)c2cccnc2Nc2ccccc2F)CC1 ZINC000012632198 520560255 /nfs/dbraw/zinc/56/02/55/520560255.db2.gz SEXZRKFHIIWNQA-UHFFFAOYSA-N 0 0 429.448 2.923 50 0 IFAARN CCCCN1C(=O)C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000012685434 520560934 /nfs/dbraw/zinc/56/09/34/520560934.db2.gz RPYHOAZVWPIQLN-IRLDBZIGSA-N 0 0 437.544 2.524 50 0 IFAARN CCCCN1C(=O)c2cc(C(=O)NCCC(C)C)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021531062 520564838 /nfs/dbraw/zinc/56/48/38/520564838.db2.gz JMUYDIHBBGSNDR-QHCPKHFHSA-N 0 0 431.581 2.732 50 0 IFAARN CC1(C)NC(=O)N(CCCSc2nnc(CN3CCCC3)n2-c2ccccc2)C1=O ZINC000058186100 520604111 /nfs/dbraw/zinc/60/41/11/520604111.db2.gz NXEFJQDREGNXSE-UHFFFAOYSA-N 0 0 428.562 2.676 50 0 IFAARN CCCCOCCCNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000020857368 520749332 /nfs/dbraw/zinc/74/93/32/520749332.db2.gz ABRKAESQHQUMMI-UHFFFAOYSA-N 0 0 442.578 2.620 50 0 IFAARN CCN(CC)S(=O)(=O)N1CCN(Cn2ccn(-c3ccc(C)cc3C)c2=S)CC1 ZINC000012588566 520776849 /nfs/dbraw/zinc/77/68/49/520776849.db2.gz UVFHGBQGTUGPBZ-UHFFFAOYSA-N 0 0 437.635 2.787 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1OC ZINC000012861163 520782430 /nfs/dbraw/zinc/78/24/30/520782430.db2.gz FAHXXYUPBGUDME-UHFFFAOYSA-N 0 0 445.541 2.870 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cn2cnc3ccccc3c2=O)c1 ZINC000012792651 520782877 /nfs/dbraw/zinc/78/28/77/520782877.db2.gz DKXRHCFCWMMVDM-UHFFFAOYSA-N 0 0 442.541 2.683 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000009631220 520787805 /nfs/dbraw/zinc/78/78/05/520787805.db2.gz PTCHTVANBMRPRW-PQGVJJGYSA-N 0 0 436.574 2.778 50 0 IFAARN CCOc1cc2c(cc1CNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1)O[C@H](C)C2 ZINC000012792833 520791718 /nfs/dbraw/zinc/79/17/18/520791718.db2.gz WXHYZPOYMHUOGD-CQSZACIVSA-N 0 0 432.542 2.864 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCc1ccccc1C)N2C(C)=O ZINC000015776059 520812030 /nfs/dbraw/zinc/81/20/30/520812030.db2.gz CREKNAJCQWUOJU-QFIPXVFZSA-N 0 0 443.569 2.620 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1O)n2C ZINC000012604409 520812561 /nfs/dbraw/zinc/81/25/61/520812561.db2.gz GJUQUBTUFAKGCR-UHFFFAOYSA-N 0 0 430.530 2.881 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCc3c(C)noc3C)n2C)c1 ZINC000035446545 520814682 /nfs/dbraw/zinc/81/46/82/520814682.db2.gz DWHRYXBUNNXFFA-UHFFFAOYSA-N 0 0 432.546 2.786 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000012749244 520818591 /nfs/dbraw/zinc/81/85/91/520818591.db2.gz FOXQPRNCEBVOMX-UHFFFAOYSA-N 0 0 443.569 2.883 50 0 IFAARN CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000023134989 520841265 /nfs/dbraw/zinc/84/12/65/520841265.db2.gz QUVOGXDRGHUSQO-UHFFFAOYSA-N 0 0 432.484 2.765 50 0 IFAARN CCOc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000021151300 520841337 /nfs/dbraw/zinc/84/13/37/520841337.db2.gz AHMZJXQGLVESHK-UHFFFAOYSA-N 0 0 425.468 2.550 50 0 IFAARN CCOc1ccc(C(=O)NCCNC(=O)c2nc(-c3ccc(Br)o3)no2)cc1 ZINC000012411725 520909037 /nfs/dbraw/zinc/90/90/37/520909037.db2.gz HYORFFAYHYDZTN-UHFFFAOYSA-N 0 0 449.261 2.651 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)n1 ZINC000012166191 520912017 /nfs/dbraw/zinc/91/20/17/520912017.db2.gz IJWNGZWLNQWITI-UHFFFAOYSA-N 0 0 427.482 2.779 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)CC1 ZINC000012195548 520928532 /nfs/dbraw/zinc/92/85/32/520928532.db2.gz WNAFCWVKFUODCM-UHFFFAOYSA-N 0 0 443.953 2.621 50 0 IFAARN CCOC(=O)N1CCC[C@@H](C(=O)NCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000012809516 520941315 /nfs/dbraw/zinc/94/13/15/520941315.db2.gz FXRGJBXCLOWBAW-CYBMUJFWSA-N 0 0 426.311 2.681 50 0 IFAARN CCOC(=O)N1CCN(C(=O)COC(=O)c2c3ccccc3nc3c2C[C@H](C)CC3)CC1 ZINC000021372825 520945107 /nfs/dbraw/zinc/94/51/07/520945107.db2.gz CDRWMFKOBDFDRL-MRXNPFEDSA-N 0 0 439.512 2.817 50 0 IFAARN CCOC(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000012314943 520947985 /nfs/dbraw/zinc/94/79/85/520947985.db2.gz SJOMEMYRDKXHLV-MRXNPFEDSA-N 0 0 441.450 2.745 50 0 IFAARN CCOc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1OCC ZINC000018186086 520952288 /nfs/dbraw/zinc/95/22/88/520952288.db2.gz VXVHDPLKAARJCG-UHFFFAOYSA-N 0 0 449.573 2.580 50 0 IFAARN CC1CCC(NS(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)CC1 ZINC000015720889 520954790 /nfs/dbraw/zinc/95/47/90/520954790.db2.gz YRDHNVCGTTTXIM-UHFFFAOYSA-N 0 0 431.489 2.874 50 0 IFAARN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc3[nH]c(C)cc3c2)cc1 ZINC000012474449 520976357 /nfs/dbraw/zinc/97/63/57/520976357.db2.gz XQXWUFYEKFVOAK-HSZRJFAPSA-N 0 0 434.540 2.882 50 0 IFAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000023893357 520982112 /nfs/dbraw/zinc/98/21/12/520982112.db2.gz ITWPOUILZJOXHL-UHFFFAOYSA-N 0 0 445.903 2.630 50 0 IFAARN CCOC(=O)Nc1ccc(NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)cc1OC ZINC000012413608 520996482 /nfs/dbraw/zinc/99/64/82/520996482.db2.gz ZOBJYKPPCVKEEM-UHFFFAOYSA-N 0 0 448.501 2.563 50 0 IFAARN CCOc1ccc(CNC(=O)c2cnc3sc(N4CCC[C@H](C)C4)nn3c2=O)cc1 ZINC000021537734 520999020 /nfs/dbraw/zinc/99/90/20/520999020.db2.gz YILPRWNUXBDSPD-AWEZNQCLSA-N 0 0 427.530 2.716 50 0 IFAARN CCOC(=O)[C@@H](C)NC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033113085 521015550 /nfs/dbraw/zinc/01/55/50/521015550.db2.gz GYJBLXWMOXDAGV-OLZOCXBDSA-N 0 0 449.508 2.770 50 0 IFAARN CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)cc1 ZINC000035325270 521027398 /nfs/dbraw/zinc/02/73/98/521027398.db2.gz WVXFSNXRSUGITR-IBGZPJMESA-N 0 0 446.573 2.580 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)N2CCCC[C@H]2C)CC1 ZINC000035428799 521031721 /nfs/dbraw/zinc/03/17/21/521031721.db2.gz JHPOWKYWBZRJOH-GOSISDBHSA-N 0 0 447.601 2.787 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000035428796 521032225 /nfs/dbraw/zinc/03/22/25/521032225.db2.gz JHPOWKYWBZRJOH-SFHVURJKSA-N 0 0 447.601 2.787 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCC2)CC1 ZINC000035398929 521032767 /nfs/dbraw/zinc/03/27/67/521032767.db2.gz OPGGKDXHCRQHIV-UHFFFAOYSA-N 0 0 447.601 2.789 50 0 IFAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)Nc3cccc(Br)c3)cn2)CC1 ZINC000020994620 521033600 /nfs/dbraw/zinc/03/36/00/521033600.db2.gz DMKNTHQQTROUHU-UHFFFAOYSA-N 0 0 441.351 2.705 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(ccn3CCC(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000020562764 521033951 /nfs/dbraw/zinc/03/39/51/521033951.db2.gz TZQOOXLLCZQBDY-IBGZPJMESA-N 0 0 433.574 2.747 50 0 IFAARN CCOc1ccc(N2C[C@@H](C(=O)N3CCC(n4c5ccccc5[nH]c4=O)CC3)CC2=O)cc1 ZINC000014253524 521042697 /nfs/dbraw/zinc/04/26/97/521042697.db2.gz MEAIRLJZYRKNSF-KRWDZBQOSA-N 0 0 448.523 2.945 50 0 IFAARN CC1CCN(c2ncc3c(n2)CC[C@H](C(=O)N(C)CC(=O)N2CCCCCC2)C3)CC1 ZINC000065289550 521051135 /nfs/dbraw/zinc/05/11/35/521051135.db2.gz XLJQJEKGHUZUOI-IBGZPJMESA-N 0 0 427.593 2.679 50 0 IFAARN CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000020766881 521061097 /nfs/dbraw/zinc/06/10/97/521061097.db2.gz JARYJNPUKANVTM-UHFFFAOYSA-N 0 0 432.471 2.558 50 0 IFAARN CCC(=O)N(c1nnc(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)s1)C1CC1 ZINC000012795532 521090636 /nfs/dbraw/zinc/09/06/36/521090636.db2.gz PKVWPAGEYPPLBD-UHFFFAOYSA-N 0 0 440.572 2.790 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1 ZINC000020994233 521104240 /nfs/dbraw/zinc/10/42/40/521104240.db2.gz QNGWOCLAENKMGE-CQSZACIVSA-N 0 0 445.497 2.559 50 0 IFAARN CCC(=O)N1C[C@@H](C(=O)NCc2ccc3c(c2)OCO3)[C@@H](c2ccc(OC)cc2OC)C1 ZINC000036059988 521165187 /nfs/dbraw/zinc/16/51/87/521165187.db2.gz OYRVZXYCTLOMBB-RTBURBONSA-N 0 0 440.496 2.701 50 0 IFAARN CCC(=O)N1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)[C@@H](c2ccc(OC)cc2OC)C1 ZINC000036059991 521167271 /nfs/dbraw/zinc/16/72/71/521167271.db2.gz OYRVZXYCTLOMBB-MOPGFXCFSA-N 0 0 440.496 2.701 50 0 IFAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000012701604 521181007 /nfs/dbraw/zinc/18/10/07/521181007.db2.gz FOIBUVMTMRDTRU-JOCHJYFZSA-N 0 0 445.422 2.768 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)OC)cc1 ZINC000020921075 521199712 /nfs/dbraw/zinc/19/97/12/521199712.db2.gz OKBYFGKUTCIIOI-LJQANCHMSA-N 0 0 449.525 2.954 50 0 IFAARN CCC(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000021682475 521200634 /nfs/dbraw/zinc/20/06/34/521200634.db2.gz UABGUEDKZSGJGU-UHFFFAOYSA-N 0 0 443.447 2.762 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCC(=O)NCCSCc2ccsc2)cc1 ZINC000012917206 521201646 /nfs/dbraw/zinc/20/16/46/521201646.db2.gz ZEZJCMHLILGRAL-UHFFFAOYSA-N 0 0 428.601 2.865 50 0 IFAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)COc1ccccc1)[C@H](C(=O)N1CCCC1)C2 ZINC000065166955 521219607 /nfs/dbraw/zinc/21/96/07/521219607.db2.gz FYGIHVRMMXPRTI-QFIPXVFZSA-N 0 0 435.524 2.990 50 0 IFAARN CCOc1ccc2c(c1)C=C(C(=O)N1CCc3cc(S(=O)(=O)N(C)C)ccc31)CO2 ZINC000040131927 521286740 /nfs/dbraw/zinc/28/67/40/521286740.db2.gz QSEBDBDRLIPIAV-UHFFFAOYSA-N 0 0 428.510 2.701 50 0 IFAARN CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 ZINC000015943280 521287621 /nfs/dbraw/zinc/28/76/21/521287621.db2.gz ITEDZYPBKAVXRB-MGPUTAFESA-N 0 0 434.558 2.871 50 0 IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)sc2n1 ZINC000021165889 521346752 /nfs/dbraw/zinc/34/67/52/521346752.db2.gz RDSILSNJYYSDSJ-UHFFFAOYSA-N 0 0 429.521 2.775 50 0 IFAARN CCOC(=O)[C@](NCc1ccccc1)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F ZINC000020609084 521350387 /nfs/dbraw/zinc/35/03/87/521350387.db2.gz ACWAYFMZDLIQJO-SFHVURJKSA-N 0 0 430.448 2.885 50 0 IFAARN CCN(Cc1ccccc1)C(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O ZINC000263615196 521364528 /nfs/dbraw/zinc/36/45/28/521364528.db2.gz BBYALCJWCHOLNZ-UHFFFAOYSA-N 0 0 434.471 2.843 50 0 IFAARN CCCCn1c(S[C@H](C)C(=O)Nc2ncccn2)nc2cc(C(=O)OC)ccc2c1=O ZINC000012269210 521372034 /nfs/dbraw/zinc/37/20/34/521372034.db2.gz JVROVGRESMDSQZ-CYBMUJFWSA-N 0 0 441.513 2.893 50 0 IFAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN(C)CC(=O)N(C)C ZINC000012894168 521373290 /nfs/dbraw/zinc/37/32/90/521373290.db2.gz NEUWOBSWIYHQIB-UHFFFAOYSA-N 0 0 433.530 2.559 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000021717618 521397398 /nfs/dbraw/zinc/39/73/98/521397398.db2.gz NDLSGJSQQREKCL-UHFFFAOYSA-N 0 0 445.900 2.528 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)Nc1cc(Cl)ccc1C ZINC000021116609 521398208 /nfs/dbraw/zinc/39/82/08/521398208.db2.gz QVOWEVGCOPVNFI-UHFFFAOYSA-N 0 0 441.937 2.697 50 0 IFAARN CCCN(C(=O)C=Cc1ccccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012778970 521411597 /nfs/dbraw/zinc/41/15/97/521411597.db2.gz ULIYKVSUIYUTIH-BUHFOSPRSA-N 0 0 434.496 2.632 50 0 IFAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1CCOC)C(=O)C1CC1 ZINC000036039940 521432921 /nfs/dbraw/zinc/43/29/21/521432921.db2.gz HSFINGDAXJNUSV-UHFFFAOYSA-N 0 0 439.965 2.915 50 0 IFAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)C1CC1 ZINC000036030842 521433110 /nfs/dbraw/zinc/43/31/10/521433110.db2.gz NSENUZWFPTYGRI-FQEVSTJZSA-N 0 0 449.548 2.934 50 0 IFAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)C(=O)NC(C)(C)C ZINC000036031496 521433575 /nfs/dbraw/zinc/43/35/75/521433575.db2.gz FZDYHISLMZQZMV-UHFFFAOYSA-N 0 0 436.578 2.833 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(CC)cc2)cn1C ZINC000035376124 521445235 /nfs/dbraw/zinc/44/52/35/521445235.db2.gz SWEMFALJJLMYFL-GOSISDBHSA-N 0 0 433.530 2.556 50 0 IFAARN CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OC)=C(C)N=2 ZINC000022309614 521449832 /nfs/dbraw/zinc/44/98/32/521449832.db2.gz JVLBSOGCQNTBQF-LYPXWFNGSA-N 0 0 440.546 2.868 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(c1ccc(F)cc1F)C2=O ZINC000021781327 521452578 /nfs/dbraw/zinc/45/25/78/521452578.db2.gz ANRVPWWNECRVBJ-QFIPXVFZSA-N 0 0 448.470 2.919 50 0 IFAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000023038403 521454758 /nfs/dbraw/zinc/45/47/58/521454758.db2.gz MOLGWUKNXRIOEA-UHFFFAOYSA-N 0 0 437.525 2.750 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C2=O ZINC000021879041 521455246 /nfs/dbraw/zinc/45/52/46/521455246.db2.gz CMYXOKTXZKVDGV-XMMPIXPASA-N 0 0 438.528 2.842 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(c1cccc(OC)c1)C2=O ZINC000021878985 521455657 /nfs/dbraw/zinc/45/56/57/521455657.db2.gz PDNARDUTHOIOBJ-HSZRJFAPSA-N 0 0 440.500 2.546 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(c1ccccc1C)C2=O ZINC000021781407 521457226 /nfs/dbraw/zinc/45/72/26/521457226.db2.gz NBWFYDQEPJUFAW-HSZRJFAPSA-N 0 0 426.517 2.950 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(Cc1ccc(F)cc1)C2=O ZINC000021781389 521457312 /nfs/dbraw/zinc/45/73/12/521457312.db2.gz DGZBHABAKOAKFK-HSZRJFAPSA-N 0 0 444.507 2.776 50 0 IFAARN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2F)C1 ZINC000015677807 521490975 /nfs/dbraw/zinc/49/09/75/521490975.db2.gz FDZXWWOADCGMDX-GOSISDBHSA-N 0 0 449.548 2.934 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000020510332 521492913 /nfs/dbraw/zinc/49/29/13/521492913.db2.gz ALGDERNSOLEPGE-UHFFFAOYSA-N 0 0 448.522 2.710 50 0 IFAARN CCCN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)Cc1nnc(-c2ccco2)o1 ZINC000012567864 521532804 /nfs/dbraw/zinc/53/28/04/521532804.db2.gz KBOAQGSVFKNONU-UHFFFAOYSA-N 0 0 443.529 2.588 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000020510320 521536107 /nfs/dbraw/zinc/53/61/07/521536107.db2.gz ZCUQDVLCFMHBMF-UHFFFAOYSA-N 0 0 448.522 2.710 50 0 IFAARN CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCc1ccc(C)cc1 ZINC000021919808 521537901 /nfs/dbraw/zinc/53/79/01/521537901.db2.gz VTQWGQYKNGMPTD-RUZDIDTESA-N 0 0 432.524 2.617 50 0 IFAARN CCN1C2=C(C(=O)N([C@H](C(=O)NC)C(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966562 521543208 /nfs/dbraw/zinc/54/32/08/521543208.db2.gz RTUWQRMWCMIIBJ-IRXDYDNUSA-N 0 0 438.450 2.659 50 0 IFAARN CCN1C2=C(C(=O)N(CCC(=O)NC3CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035967579 521543921 /nfs/dbraw/zinc/54/39/21/521543921.db2.gz WSEHYFOZXNFDAK-SFHVURJKSA-N 0 0 436.434 2.557 50 0 IFAARN CCCN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000021920359 521551525 /nfs/dbraw/zinc/55/15/25/521551525.db2.gz XGZOSYYOTFDJPF-UHFFFAOYSA-N 0 0 435.406 2.563 50 0 IFAARN CCCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)s1 ZINC000012878773 521565686 /nfs/dbraw/zinc/56/56/86/521565686.db2.gz OTXBOLDTJQKFTQ-GFCCVEGCSA-N 0 0 444.966 2.854 50 0 IFAARN CCC(CC)[C@@H](CNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O)N1CCOCC1 ZINC000022898974 521604635 /nfs/dbraw/zinc/60/46/35/521604635.db2.gz JFFFYUKDLOBOOP-HXUWFJFHSA-N 0 0 430.524 2.547 50 0 IFAARN CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)[C@@H]1COc3ccccc3C1)CC2 ZINC000014751314 521604587 /nfs/dbraw/zinc/60/45/87/521604587.db2.gz JUZQGLOQKBANJQ-SFHVURJKSA-N 0 0 446.507 2.639 50 0 IFAARN CCOC(=O)c1noc2ncn(Cc3nc(-c4cccc(OC)c4OC)oc3C)c(=O)c21 ZINC000033059498 521607872 /nfs/dbraw/zinc/60/78/72/521607872.db2.gz GVYAZFCYAGTWHX-UHFFFAOYSA-N 0 0 440.412 2.590 50 0 IFAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000021591925 521610701 /nfs/dbraw/zinc/61/07/01/521610701.db2.gz QHASGRKWUVRICD-UHFFFAOYSA-N 0 0 444.465 2.882 50 0 IFAARN CCC(CC)[C@H](CNC(=O)[C@@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCOCC1 ZINC000022898718 521617262 /nfs/dbraw/zinc/61/72/62/521617262.db2.gz GBUUHRBHCGVYAV-MBDNFAEBSA-N 0 0 447.620 2.606 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(C)cc(C)c2)c1=O ZINC000033140945 521617848 /nfs/dbraw/zinc/61/78/48/521617848.db2.gz IIPBCQSVPIXNBN-UHFFFAOYSA-N 0 0 441.557 2.885 50 0 IFAARN CCCn1c2c(nc1-n1nc(C)cc1C)n(C)c(=O)n(Cc1ccc(Cl)cc1)c2=O ZINC000012231480 521636210 /nfs/dbraw/zinc/63/62/10/521636210.db2.gz HEALBVRUDUKZAP-UHFFFAOYSA-N 0 0 426.908 2.811 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2cc(C)ccc2C)[C@](C)(C(=O)NC2CCCCCC2)C1 ZINC000020928371 521659917 /nfs/dbraw/zinc/65/99/17/521659917.db2.gz QUIGZGUNNZKHER-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN CCN1CCN(C(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)CC1 ZINC000020565286 521664178 /nfs/dbraw/zinc/66/41/78/521664178.db2.gz RFBSMTUBGODGGJ-UHFFFAOYSA-N 0 0 425.558 2.932 50 0 IFAARN CCN1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000035989285 521666497 /nfs/dbraw/zinc/66/64/97/521666497.db2.gz BCJQDCLICAWZFU-FQEVSTJZSA-N 0 0 426.517 2.509 50 0 IFAARN CCNC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)sc2C)CC1 ZINC000035554475 521733684 /nfs/dbraw/zinc/73/36/84/521733684.db2.gz NAJOZDGFXYZGEL-UHFFFAOYSA-N 0 0 438.575 2.911 50 0 IFAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000035948853 521739364 /nfs/dbraw/zinc/73/93/64/521739364.db2.gz DHIULDUOCIRYMK-LJQANCHMSA-N 0 0 428.489 2.644 50 0 IFAARN CCNC(=O)N1CCN(c2nc(COC)nc3c2c(C)nn3-c2ccccc2Cl)CC1 ZINC000035990404 521739942 /nfs/dbraw/zinc/73/99/42/521739942.db2.gz OFVYOWZGXUUXFW-UHFFFAOYSA-N 0 0 443.939 2.775 50 0 IFAARN CCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2C)c1 ZINC000021662553 521744866 /nfs/dbraw/zinc/74/48/66/521744866.db2.gz PQYYWWBIGPSVKR-IBGZPJMESA-N 0 0 429.542 2.845 50 0 IFAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000012854205 521754824 /nfs/dbraw/zinc/75/48/24/521754824.db2.gz JWUHDINBJVAKMJ-IRXDYDNUSA-N 0 0 436.464 2.714 50 0 IFAARN CCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c1 ZINC000020327009 521767485 /nfs/dbraw/zinc/76/74/85/521767485.db2.gz YITWFBRXMOOXFN-MRXNPFEDSA-N 0 0 443.525 2.733 50 0 IFAARN CCc1cccc(NC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(C)C3=O)c1 ZINC000021874887 521767530 /nfs/dbraw/zinc/76/75/30/521767530.db2.gz CIQJTUBFURSUDO-DEOSSOPVSA-N 0 0 437.544 2.991 50 0 IFAARN CCSc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000012819594 521771558 /nfs/dbraw/zinc/77/15/58/521771558.db2.gz LPGJQWOFQPYMBS-UHFFFAOYSA-N 0 0 447.582 2.937 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)Cn1cc(I)cn1)CCCC2 ZINC000012417729 521783442 /nfs/dbraw/zinc/78/34/42/521783442.db2.gz BMRBXNHIPWQEEM-UHFFFAOYSA-N 0 0 445.282 2.853 50 0 IFAARN COC(=O)c1cc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)n2)c[nH]1 ZINC000012892089 521796996 /nfs/dbraw/zinc/79/69/96/521796996.db2.gz RHEMOSZWUSACHX-ZDUSSCGKSA-N 0 0 440.481 2.925 50 0 IFAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c1 ZINC000012738126 521817368 /nfs/dbraw/zinc/81/73/68/521817368.db2.gz LHSRXTILKFLXDE-INIZCTEOSA-N 0 0 439.486 2.914 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2-c1ccccc1OC ZINC000012445580 521828478 /nfs/dbraw/zinc/82/84/78/521828478.db2.gz DAAVYVKITJBXIY-UHFFFAOYSA-N 0 0 449.438 2.838 50 0 IFAARN CCc1ccccc1N1C(=O)c2c(C(=O)OC)ncn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021926181 521853412 /nfs/dbraw/zinc/85/34/12/521853412.db2.gz HMFVWRFCLGPONA-VWLOTQADSA-N 0 0 446.507 2.968 50 0 IFAARN COC(=O)c1cc(CNC(C)=O)cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000012619089 521854723 /nfs/dbraw/zinc/85/47/23/521854723.db2.gz YRQMCBUJJYYJFF-UHFFFAOYSA-N 0 0 430.404 2.929 50 0 IFAARN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1=O ZINC000012814890 521855874 /nfs/dbraw/zinc/85/58/74/521855874.db2.gz OXMFRBHMELASSQ-KRWDZBQOSA-N 0 0 429.542 2.799 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@@H](C)O2 ZINC000035452555 521864948 /nfs/dbraw/zinc/86/49/48/521864948.db2.gz ROJBJJMJKRHJJN-CQSZACIVSA-N 0 0 431.514 2.536 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@H](CC)O2 ZINC000035453056 521865822 /nfs/dbraw/zinc/86/58/22/521865822.db2.gz KVCGUIUBHXUYJM-SFHVURJKSA-N 0 0 445.541 2.926 50 0 IFAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000057281384 521869706 /nfs/dbraw/zinc/86/97/06/521869706.db2.gz ADMMDJOHUAGCIV-UHFFFAOYSA-N 0 0 434.540 2.772 50 0 IFAARN COC(=O)c1cc(NC(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)cc(C(=O)OC)c1 ZINC000021889312 521874662 /nfs/dbraw/zinc/87/46/62/521874662.db2.gz YRWHELLTOLKZSA-SNAWJCMRSA-N 0 0 427.409 2.692 50 0 IFAARN COc1cc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)cc(OC)c1OC ZINC000016047584 521908755 /nfs/dbraw/zinc/90/87/55/521908755.db2.gz LGBKWYLTUGSBBM-UHFFFAOYSA-N 0 0 447.469 2.565 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(c1ccc(F)cc1)C2=O ZINC000021878255 521920252 /nfs/dbraw/zinc/92/02/52/521920252.db2.gz METYMYUZXQCYBI-QFIPXVFZSA-N 0 0 428.464 2.677 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(c1ccc(F)cc1)C2=O ZINC000021878253 521922203 /nfs/dbraw/zinc/92/22/03/521922203.db2.gz METYMYUZXQCYBI-JOCHJYFZSA-N 0 0 428.464 2.677 50 0 IFAARN COc1cc(/C=C/C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc2c1OCCO2 ZINC000012601895 521925551 /nfs/dbraw/zinc/92/55/51/521925551.db2.gz MZQPPDXUMOSMBF-VOTSOKGWSA-N 0 0 435.480 2.986 50 0 IFAARN COC(=O)c1ccc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1 ZINC000022478594 521940199 /nfs/dbraw/zinc/94/01/99/521940199.db2.gz WDCXDDJPQBQVKV-GDNBJRDFSA-N 0 0 442.294 2.915 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)C1CCN(c2nc(C)c3ccc(OC)cc3n2)CC1)C(=O)OC ZINC000012206900 521958508 /nfs/dbraw/zinc/95/85/08/521958508.db2.gz QESOHJFJUVJNQH-XOBRGWDASA-N 0 0 428.533 2.867 50 0 IFAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)c3cccnc3)C2=O)cc(OC)c1OC ZINC000012778537 521970926 /nfs/dbraw/zinc/97/09/26/521970926.db2.gz DUSXMLLJAUMNDJ-BOPFTXTBSA-N 0 0 443.481 2.574 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCCC2)c1=O)C(=O)OC ZINC000015001894 521973370 /nfs/dbraw/zinc/97/33/70/521973370.db2.gz QVMQPKZOQVUFRZ-JXFKEZNVSA-N 0 0 445.560 2.907 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCc3ccccn3)n2Cc2ccncc2)c1 ZINC000035509493 521992802 /nfs/dbraw/zinc/99/28/02/521992802.db2.gz URPKHICASRUYPE-UHFFFAOYSA-N 0 0 449.536 2.660 50 0 IFAARN COC(=O)c1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc32)cc1 ZINC000012718762 522020638 /nfs/dbraw/zinc/02/06/38/522020638.db2.gz SDTDJMVSWOUCHR-QHCPKHFHSA-N 0 0 445.519 2.633 50 0 IFAARN COc1cc(Br)c(CC(=O)OCC(=O)NCc2cccs2)cc1OC ZINC000017894124 522020759 /nfs/dbraw/zinc/02/07/59/522020759.db2.gz HUGLPCIAULTFAK-UHFFFAOYSA-N 0 0 428.304 2.930 50 0 IFAARN CC[C@@H](C)N(C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000012516844 522032240 /nfs/dbraw/zinc/03/22/40/522032240.db2.gz SJMLUKAFCKMRIZ-MJGOQNOKSA-N 0 0 442.025 2.585 50 0 IFAARN COCCn1c(CN2CCC[C@H](COC)C2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000012445402 522067525 /nfs/dbraw/zinc/06/75/25/522067525.db2.gz KEHRYWHJXRBLBQ-IBGZPJMESA-N 0 0 427.611 2.742 50 0 IFAARN COc1cc(C(=O)N2CCC[C@@H]2c2nonc2C)ccc1OC1CCN(C(C)=O)CC1 ZINC000012303623 522077884 /nfs/dbraw/zinc/07/78/84/522077884.db2.gz RHBTVXCUOBWZGO-GOSISDBHSA-N 0 0 428.489 2.754 50 0 IFAARN COc1cc(C(=O)NCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc(OC)c1OC ZINC000012407720 522104039 /nfs/dbraw/zinc/10/40/39/522104039.db2.gz VEUJHFMNONLTCT-UHFFFAOYSA-N 0 0 441.459 2.648 50 0 IFAARN COc1cc(C(=O)NCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc(OC)c1OC ZINC000012519984 522104362 /nfs/dbraw/zinc/10/43/62/522104362.db2.gz TZSGFYFBHZLCHV-OAHLLOKOSA-N 0 0 438.484 2.505 50 0 IFAARN COc1cc(C(=O)NCCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc(OC)c1OC ZINC000012297099 522105604 /nfs/dbraw/zinc/10/56/04/522105604.db2.gz KHVMFSVEKDRWJO-UHFFFAOYSA-N 0 0 437.496 2.899 50 0 IFAARN COc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000012875238 522110339 /nfs/dbraw/zinc/11/03/39/522110339.db2.gz SOZACJLVZKGICM-UHFFFAOYSA-N 0 0 432.904 2.559 50 0 IFAARN COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)NCCc2ccccc2OC)c1 ZINC000009661578 522118988 /nfs/dbraw/zinc/11/89/88/522118988.db2.gz PQCRYSIRIHVELZ-UHFFFAOYSA-N 0 0 446.507 2.766 50 0 IFAARN COc1cc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc(OC)c1OC ZINC000012857106 522123390 /nfs/dbraw/zinc/12/33/90/522123390.db2.gz LZWULTBBESFDJL-UHFFFAOYSA-N 0 0 425.470 2.809 50 0 IFAARN COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N3CCC[C@H](O)C3)c21 ZINC000012098973 522138319 /nfs/dbraw/zinc/13/83/19/522138319.db2.gz YCGDGLJHILCPCQ-SFHVURJKSA-N 0 0 428.533 2.798 50 0 IFAARN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)CC1 ZINC000035424355 522142966 /nfs/dbraw/zinc/14/29/66/522142966.db2.gz FXQISAVFNHYBOV-OAHLLOKOSA-N 0 0 441.619 2.690 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)N[C@@H](C)CC)CC3)c(C)s2)no1 ZINC000035553796 522143332 /nfs/dbraw/zinc/14/33/32/522143332.db2.gz VXPONLBUNWPQSJ-LBPRGKRZSA-N 0 0 440.591 2.984 50 0 IFAARN CCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)c2)no1 ZINC000033086554 522147823 /nfs/dbraw/zinc/14/78/23/522147823.db2.gz USZIDESCRQOKTF-UHFFFAOYSA-N 0 0 432.546 2.759 50 0 IFAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N[C@H](C)CC)CC3)c2)no1 ZINC000021707771 522149253 /nfs/dbraw/zinc/14/92/53/522149253.db2.gz ABBPLJGHZYPDTP-GFCCVEGCSA-N 0 0 426.564 2.676 50 0 IFAARN CCc1nc(C)c(CN2CCc3c(c(C(=O)N4CCOCC4)nn3Cc3ccccc3)C2)[nH]1 ZINC000020601851 522203292 /nfs/dbraw/zinc/20/32/92/522203292.db2.gz KTGPEDGDWLZGLW-UHFFFAOYSA-N 0 0 448.571 2.556 50 0 IFAARN COC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000012602979 522221856 /nfs/dbraw/zinc/22/18/56/522221856.db2.gz JKHQTOAKPJNMSG-UHFFFAOYSA-N 0 0 446.403 2.679 50 0 IFAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000021323349 522254754 /nfs/dbraw/zinc/25/47/54/522254754.db2.gz DBZUJDHCQLESNS-MRXNPFEDSA-N 0 0 426.560 2.726 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)ccc1OC ZINC000012548291 522267664 /nfs/dbraw/zinc/26/76/64/522267664.db2.gz QOMNHSCISBBPQC-INIZCTEOSA-N 0 0 448.570 2.704 50 0 IFAARN COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024610118 522270041 /nfs/dbraw/zinc/27/00/41/522270041.db2.gz ROVPNOGKKBBUHD-UHFFFAOYSA-N 0 0 434.489 2.793 50 0 IFAARN CNS(=O)(=O)c1cc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)ccc1C ZINC000022702304 522271982 /nfs/dbraw/zinc/27/19/82/522271982.db2.gz KXPSIOXXIXJRDO-UHFFFAOYSA-N 0 0 431.543 2.771 50 0 IFAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1C ZINC000021625347 522282568 /nfs/dbraw/zinc/28/25/68/522282568.db2.gz YWJJQDQKQCLVMW-UKRRQHHQSA-N 0 0 441.575 2.648 50 0 IFAARN COc1cc(CN2CCC[C@@H](n3cc(C(=O)NCC(C)C)nn3)C2)cc(OC)c1OC ZINC000012283373 522377039 /nfs/dbraw/zinc/37/70/39/522377039.db2.gz GFGDJUCWJOZIFX-QGZVFWFLSA-N 0 0 431.537 2.527 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccc(F)cc1)[C@@](C)(C(=O)NC1CCCCC1)C2 ZINC000021873043 522391772 /nfs/dbraw/zinc/39/17/72/522391772.db2.gz IWCICCPUDOWHNI-HSZRJFAPSA-N 0 0 442.491 2.672 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1)[C@](C)(C(=O)NC1CCCCCC1)C2 ZINC000021873129 522393824 /nfs/dbraw/zinc/39/38/24/522393824.db2.gz OCMBXSQCDAGQDA-DEOSSOPVSA-N 0 0 438.528 2.923 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccco1)[C@](C)(C(=O)NC1CCCCCC1)C2 ZINC000021873163 522394131 /nfs/dbraw/zinc/39/41/31/522394131.db2.gz MAHRWWVNODMPEL-QFIPXVFZSA-N 0 0 428.489 2.516 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(c1cccc(OC)c1)[C@@](C)(C(=O)NC1CCCCC1)C2 ZINC000021872955 522396606 /nfs/dbraw/zinc/39/66/06/522396606.db2.gz BOOKMVROKVMEGE-HSZRJFAPSA-N 0 0 440.500 2.546 50 0 IFAARN COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000012414326 522433270 /nfs/dbraw/zinc/43/32/70/522433270.db2.gz ZCRWTNRJEOUGNG-UHFFFAOYSA-N 0 0 435.502 2.733 50 0 IFAARN CN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)Cc1ccccc1N1CCOCC1 ZINC000012767599 522437239 /nfs/dbraw/zinc/43/72/39/522437239.db2.gz SDJGOSMZGIKFAS-UHFFFAOYSA-N 0 0 442.991 2.957 50 0 IFAARN CN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000021881069 522494587 /nfs/dbraw/zinc/49/45/87/522494587.db2.gz GEYBAECCJVZHAW-NRFANRHFSA-N 0 0 441.553 2.776 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CCN(c2ccccc2)CC1 ZINC000012553357 522517390 /nfs/dbraw/zinc/51/73/90/522517390.db2.gz QEWBZNJTIUXSIU-UHFFFAOYSA-N 0 0 434.462 2.925 50 0 IFAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CCN1C(=O)COc2ccccc21 ZINC000012806697 522518761 /nfs/dbraw/zinc/51/87/61/522518761.db2.gz MSGGOWROKQGCBK-UHFFFAOYSA-N 0 0 446.301 2.662 50 0 IFAARN CCc1nc2sc([C@@H](c3cccc(OC)c3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854127 522537145 /nfs/dbraw/zinc/53/71/45/522537145.db2.gz GAJGUKGNUWVNAB-QGZVFWFLSA-N 0 0 430.530 2.996 50 0 IFAARN CCc1nc2sc([C@H](c3ccc(OC)cc3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854132 522537788 /nfs/dbraw/zinc/53/77/88/522537788.db2.gz FLWBPKPBJWNGPN-KRWDZBQOSA-N 0 0 430.530 2.996 50 0 IFAARN CC[C@@H](CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000035334026 522538068 /nfs/dbraw/zinc/53/80/68/522538068.db2.gz PSHSNVYKFLYUOI-MOPGFXCFSA-N 0 0 447.576 2.831 50 0 IFAARN COc1cc(NC(=O)CNC(=O)N2CCc3c4ccccc4[nH]c3C2)cc(OC)c1OC ZINC000012296835 522662803 /nfs/dbraw/zinc/66/28/03/522662803.db2.gz NWFAUAPJGITSEU-UHFFFAOYSA-N 0 0 438.484 2.900 50 0 IFAARN COc1cc(NC(=O)COc2ccccc2C(=O)N2CCOCC2)c(OC)cc1Cl ZINC000012778857 522664473 /nfs/dbraw/zinc/66/44/73/522664473.db2.gz NYCIDBXWZZNIAI-UHFFFAOYSA-N 0 0 434.876 2.847 50 0 IFAARN COCC(=O)N1CCC(Oc2ccccc2C(=O)N(C)C[C@@H](O)c2ccccc2)CC1 ZINC000012373759 522739478 /nfs/dbraw/zinc/73/94/78/522739478.db2.gz XULCEBNTCWQTNG-OAQYLSRUSA-N 0 0 426.513 2.508 50 0 IFAARN COCC(=O)N1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CC1 ZINC000034700199 522748595 /nfs/dbraw/zinc/74/85/95/522748595.db2.gz HAMHQVPHTJYVAC-UHFFFAOYSA-N 0 0 442.932 2.954 50 0 IFAARN CN(CCCNC(=O)CCc1nc(CS(=O)(=O)c2ccccc2)no1)c1ccccc1 ZINC000021649408 522755919 /nfs/dbraw/zinc/75/59/19/522755919.db2.gz YQUFJHXXOQEEPL-UHFFFAOYSA-N 0 0 442.541 2.619 50 0 IFAARN COc1cc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)ccc1N1CCCC1=O ZINC000012508007 522756067 /nfs/dbraw/zinc/75/60/67/522756067.db2.gz YJFMQUVGMGGRKP-UHFFFAOYSA-N 0 0 443.525 2.922 50 0 IFAARN COCC(=O)Nc1cc2ncn(CCc3ccccc3)c2c(C(=O)N(C)Cc2cc[nH]n2)c1 ZINC000020819674 522782359 /nfs/dbraw/zinc/78/23/59/522782359.db2.gz WSQXHSBXTGBKBH-UHFFFAOYSA-N 0 0 446.511 2.859 50 0 IFAARN COc1cc(OC)c(NC(=O)CCS(=O)(=O)c2cccc3nonc32)cc1Cl ZINC000021090239 522798154 /nfs/dbraw/zinc/79/81/54/522798154.db2.gz QMUNKOUGDOTOBV-UHFFFAOYSA-N 0 0 425.850 2.696 50 0 IFAARN CN(CCOC(=O)c1cncc(Br)c1)C(=O)c1cncc(Br)c1 ZINC000012847976 522885535 /nfs/dbraw/zinc/88/55/35/522885535.db2.gz GDRRRIKDFKSZPI-UHFFFAOYSA-N 0 0 443.095 2.931 50 0 IFAARN COC(=O)C1=C(CSc2nc(C)cc(N)n2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000012822513 522890469 /nfs/dbraw/zinc/89/04/69/522890469.db2.gz HFJYQXZPTCTGMK-GOSISDBHSA-N 0 0 425.514 2.815 50 0 IFAARN COc1cc(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)c(C)cc1C ZINC000012224969 522895023 /nfs/dbraw/zinc/89/50/23/522895023.db2.gz BQOCHGPXBLZUBB-UHFFFAOYSA-N 0 0 434.562 2.709 50 0 IFAARN CN(CCOc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1cccs1 ZINC000012738604 522903529 /nfs/dbraw/zinc/90/35/29/522903529.db2.gz FFOXEQMXNOSFKO-UHFFFAOYSA-N 0 0 447.376 2.669 50 0 IFAARN CCc1noc2ncnc(N3CCC[C@H](C(=O)NCc4cc(OC)ccc4OC)C3)c12 ZINC000021881587 522926403 /nfs/dbraw/zinc/92/64/03/522926403.db2.gz RMMHDFAEELCWEO-AWEZNQCLSA-N 0 0 425.489 2.730 50 0 IFAARN COCc1cc(N2CCN(C)CC2)nc(SCc2ccc(C(=O)NCC3CC3)cc2)n1 ZINC000036058251 522927933 /nfs/dbraw/zinc/92/79/33/522927933.db2.gz MUDZZLDBAUOCTF-UHFFFAOYSA-N 0 0 441.601 2.807 50 0 IFAARN COc1cc([C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc(Cl)c1OC ZINC000012506769 522929997 /nfs/dbraw/zinc/92/99/97/522929997.db2.gz SMOPPHJSUJGHKL-GOSISDBHSA-N 0 0 429.864 2.965 50 0 IFAARN COCc1ccc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)Cc2cscn2)C3)o1 ZINC000012454209 522959009 /nfs/dbraw/zinc/95/90/09/522959009.db2.gz LWMBUORTFSSVFK-UHFFFAOYSA-N 0 0 440.525 2.643 50 0 IFAARN COc1cc([C@H]2CN(C(=S)NC(C)C)C[C@H]2C(=O)NCC(C)C)cc(OC)c1OC ZINC000036044686 522963663 /nfs/dbraw/zinc/96/36/63/522963663.db2.gz PAMMKIMCUCCHJM-IAGOWNOFSA-N 0 0 437.606 2.783 50 0 IFAARN COc1cc2c(cc(C(=O)NCCC(=O)Nc3ccc4c(c3)OCO4)n2C)c(OC)c1 ZINC000012324819 522996179 /nfs/dbraw/zinc/99/61/79/522996179.db2.gz JLBKTWHTVFKLAZ-UHFFFAOYSA-N 0 0 425.441 2.683 50 0 IFAARN CN(CCc1noc(COc2ccccc2F)n1)S(=O)(=O)c1cc(F)ccc1F ZINC000035479570 522999499 /nfs/dbraw/zinc/99/94/99/522999499.db2.gz OOJIWTFYQLFCAU-UHFFFAOYSA-N 0 0 427.404 2.929 50 0 IFAARN CN(CCc1noc(-c2ccccc2Cl)n1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000021883021 523000419 /nfs/dbraw/zinc/00/04/19/523000419.db2.gz ISVCDZZODYVMBA-UHFFFAOYSA-N 0 0 446.916 2.772 50 0 IFAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000012378223 523028421 /nfs/dbraw/zinc/02/84/21/523028421.db2.gz LOWZQHICLLYGSB-INIZCTEOSA-N 0 0 441.509 2.776 50 0 IFAARN COc1cc2nc(CSc3nncn3-c3ccccc3OC)[nH]c(=O)c2cc1OC ZINC000021253979 523066680 /nfs/dbraw/zinc/06/66/80/523066680.db2.gz MTVLNXWZDQGNKW-UHFFFAOYSA-N 0 0 425.470 2.822 50 0 IFAARN COc1ccc(-c2cc(C(=O)NCCc3ccccn3)cc(-n3cnnn3)c2)cc1OC ZINC000014975120 523095426 /nfs/dbraw/zinc/09/54/26/523095426.db2.gz OQCGLOJEQDIYSQ-UHFFFAOYSA-N 0 0 430.468 2.714 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccc(C)cc4)nc(C)n3n2)cc1 ZINC000021807930 523119302 /nfs/dbraw/zinc/11/93/02/523119302.db2.gz IBOVATZTDIIRES-UHFFFAOYSA-N 0 0 431.496 2.542 50 0 IFAARN COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(-c4ccc(=O)[nH]n4)cc3)n2)cc1 ZINC000042381025 523129028 /nfs/dbraw/zinc/12/90/28/523129028.db2.gz HUKADJHENMOPBM-OAHLLOKOSA-N 0 0 443.463 2.869 50 0 IFAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc21 ZINC000020560481 523169756 /nfs/dbraw/zinc/16/97/56/523169756.db2.gz GRGWNEKFWQMAQP-UHFFFAOYSA-N 0 0 426.903 2.753 50 0 IFAARN COc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cs2)cc1 ZINC000012870551 523187288 /nfs/dbraw/zinc/18/72/88/523187288.db2.gz HWAUKOXUVBEGKS-UHFFFAOYSA-N 0 0 443.550 2.965 50 0 IFAARN CCn1c(CNC(=O)C2CCC2)nc2c1CN(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000065284688 523193947 /nfs/dbraw/zinc/19/39/47/523193947.db2.gz DDXNOTVUQWTJNN-UHFFFAOYSA-N 0 0 436.965 2.720 50 0 IFAARN COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000012391649 523200175 /nfs/dbraw/zinc/20/01/75/523200175.db2.gz JNYSSHBMTUEGSF-INIZCTEOSA-N 0 0 428.514 2.521 50 0 IFAARN COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCCN3CCOCC3)o2)cc1 ZINC000012419760 523223628 /nfs/dbraw/zinc/22/36/28/523223628.db2.gz KCTHLHRHKDFPPT-UHFFFAOYSA-N 0 0 443.525 2.927 50 0 IFAARN COc1ccc(C2N=NC(=S)N2CC(=O)NCC(=O)Nc2c(C)cccc2C)cc1 ZINC000012805727 523258307 /nfs/dbraw/zinc/25/83/07/523258307.db2.gz XMAQAQZXUDDEEU-UHFFFAOYSA-N 0 0 425.514 2.614 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2N)c(OC)c1 ZINC000021576041 523259434 /nfs/dbraw/zinc/25/94/34/523259434.db2.gz HXRZDYNCTYPGQK-UHFFFAOYSA-N 0 0 429.502 2.724 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccccc3Cl)n2N)c(OC)c1 ZINC000021576079 523260655 /nfs/dbraw/zinc/26/06/55/523260655.db2.gz LQSCNHKGOXTDGO-UHFFFAOYSA-N 0 0 433.921 2.738 50 0 IFAARN COCCCN1C(=O)C[C@](CC(=O)N(C)C2CCCCC2)(c2ccccc2OC)C1=O ZINC000012165259 523287130 /nfs/dbraw/zinc/28/71/30/523287130.db2.gz RLSGNRYDRHMZPH-XMMPIXPASA-N 0 0 430.545 2.910 50 0 IFAARN COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(Cc4ccc5c(c4)OCO5)C3=O)n2)cc1 ZINC000012767262 523287020 /nfs/dbraw/zinc/28/70/20/523287020.db2.gz NQVPCERSUYAZCS-QFIPXVFZSA-N 0 0 436.424 2.527 50 0 IFAARN COCCCN1C(=O)C[C@@](CC(=O)N[C@@H](C)Cc2ccsc2)(c2ccccc2)C1=O ZINC000012041074 523287865 /nfs/dbraw/zinc/28/78/65/523287865.db2.gz NCAFGUAKUPOHFQ-SBUREZEXSA-N 0 0 428.554 2.919 50 0 IFAARN COc1ccc(-c2noc(NC=O)c2C(=O)NCCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000020858664 523300705 /nfs/dbraw/zinc/30/07/05/523300705.db2.gz WWTRPAMTBPERQX-OAHLLOKOSA-N 0 0 436.468 2.916 50 0 IFAARN COc1ccc(-c2noc(NC=O)c2C(=O)NCCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000020858659 523301903 /nfs/dbraw/zinc/30/19/03/523301903.db2.gz WWTRPAMTBPERQX-HNNXBMFYSA-N 0 0 436.468 2.916 50 0 IFAARN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000089736180 523314594 /nfs/dbraw/zinc/31/45/94/523314594.db2.gz KNIWBEPALVXWMI-UHFFFAOYSA-N 0 0 439.541 2.731 50 0 IFAARN COCCCNC(=O)CN1CCN([C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000022783024 523323804 /nfs/dbraw/zinc/32/38/04/523323804.db2.gz BAUIOYMDEQPERS-VWLOTQADSA-N 0 0 448.567 2.862 50 0 IFAARN CN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3ccccc3)CC2)no1 ZINC000021873799 523327124 /nfs/dbraw/zinc/32/71/24/523327124.db2.gz NXIKKONDQNCJIN-UHFFFAOYSA-N 0 0 447.539 2.619 50 0 IFAARN COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccc(OC)c(OC)c1 ZINC000022390291 523333591 /nfs/dbraw/zinc/33/35/91/523333591.db2.gz KXTLGDOIALVTTI-CVEARBPZSA-N 0 0 430.432 2.689 50 0 IFAARN COC(=O)C[C@H](NC(=O)c1cc(C)nc2c1c(C)nn2C)c1ccc(OC)c(OC)c1 ZINC000024492168 523335809 /nfs/dbraw/zinc/33/58/09/523335809.db2.gz QLZLHQKFZPWTAH-INIZCTEOSA-N 0 0 426.473 2.637 50 0 IFAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)Cc2cnc3ncnn3c2)cc1 ZINC000012707746 523351824 /nfs/dbraw/zinc/35/18/24/523351824.db2.gz RLVHVZHBPIUDKF-LJQANCHMSA-N 0 0 431.500 2.691 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000036041590 523352065 /nfs/dbraw/zinc/35/20/65/523352065.db2.gz YGJYNGRWRYQLOK-FGZHOGPDSA-N 0 0 426.513 2.712 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cc(OC)ccc1OC ZINC000036045416 523352529 /nfs/dbraw/zinc/35/25/29/523352529.db2.gz HFYDZUVCTZNBAR-NHCUHLMSSA-N 0 0 426.513 2.712 50 0 IFAARN CN(Cc1ccco1)C(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012899886 523423725 /nfs/dbraw/zinc/42/37/25/523423725.db2.gz PXDLQYZNDVOGEX-UHFFFAOYSA-N 0 0 446.356 2.551 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1cc(C)ccc1C ZINC000021359064 523486786 /nfs/dbraw/zinc/48/67/86/523486786.db2.gz AFQPFFSNLWYRDQ-UHFFFAOYSA-N 0 0 449.486 2.823 50 0 IFAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCCOC(C)C)C3)ccc21 ZINC000021938046 523495674 /nfs/dbraw/zinc/49/56/74/523495674.db2.gz WOEKIQLZOTVXNL-IBGZPJMESA-N 0 0 435.590 2.993 50 0 IFAARN COc1ccc(Br)cc1CNC(=O)Cn1nc(C)n2c3ccoc3cc2c1=O ZINC000020386167 523501080 /nfs/dbraw/zinc/50/10/80/523501080.db2.gz FFAWHIGLJKUTMU-UHFFFAOYSA-N 0 0 445.273 2.638 50 0 IFAARN CO[C@@H](CNC(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1)c1cccs1 ZINC000012281398 523516785 /nfs/dbraw/zinc/51/67/85/523516785.db2.gz OSASLDCRTCFAHE-SFHVURJKSA-N 0 0 428.514 2.856 50 0 IFAARN CCn1cnc2c1c(=O)n(CC(=O)Oc1ccc(C)cc1C)c(=O)n2Cc1ccccc1 ZINC000016013606 523569852 /nfs/dbraw/zinc/56/98/52/523569852.db2.gz XAGVHIQONDCCFP-UHFFFAOYSA-N 0 0 432.480 2.650 50 0 IFAARN COc1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1S(=O)(=O)N(C)C ZINC000012847492 523601565 /nfs/dbraw/zinc/60/15/65/523601565.db2.gz OSRBPLUUBIFCPL-UHFFFAOYSA-N 0 0 428.457 2.819 50 0 IFAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)NCc3ccccc3OC)cc2NC1=O ZINC000020923045 523609330 /nfs/dbraw/zinc/60/93/30/523609330.db2.gz NSDSKUJQVCOYCL-SFHVURJKSA-N 0 0 448.566 2.998 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1 ZINC000012584633 523649221 /nfs/dbraw/zinc/64/92/21/523649221.db2.gz ALUJFXMSUQDAEK-UHFFFAOYSA-N 0 0 434.481 2.740 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1OC)C(C)=O ZINC000035962455 523651329 /nfs/dbraw/zinc/65/13/29/523651329.db2.gz BNCPFLGXTHPNKD-JOCHJYFZSA-N 0 0 439.512 2.876 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1)C(C)=O ZINC000035948370 523652870 /nfs/dbraw/zinc/65/28/70/523652870.db2.gz UVBDBKVWJNUFIV-GOSISDBHSA-N 0 0 445.541 2.938 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)COC ZINC000035948359 523655207 /nfs/dbraw/zinc/65/52/07/523655207.db2.gz CZEKHYHNLKSNIK-SFHVURJKSA-N 0 0 433.505 2.686 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1ccc(C)c(C)c1 ZINC000035374212 523670287 /nfs/dbraw/zinc/67/02/87/523670287.db2.gz CTXZURPBFIGDRB-UHFFFAOYSA-N 0 0 435.484 2.585 50 0 IFAARN COC(=O)[C@@H]1CCCN1C(=O)C[C@]1(c2ccccc2C)CC(=O)N(Cc2ccccc2)C1=O ZINC000012205738 523691348 /nfs/dbraw/zinc/69/13/48/523691348.db2.gz KUFHBLHLOLCCCO-HFZDXXHNSA-N 0 0 448.519 2.746 50 0 IFAARN COc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1S(=O)(=O)NC(C)(C)C ZINC000022315158 523701634 /nfs/dbraw/zinc/70/16/34/523701634.db2.gz LJQVZLIIVFHFAX-UHFFFAOYSA-N 0 0 430.530 2.621 50 0 IFAARN CN1C(=O)N(C)C(=O)C2(Cc3cc4ccccc4nc3N3CCc4ccccc4[C@H]32)C1=O ZINC000020567578 523715271 /nfs/dbraw/zinc/71/52/71/523715271.db2.gz AAKBOATUFHFPIF-FQEVSTJZSA-N 0 0 426.476 2.932 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)c(OC)c1 ZINC000035586477 523764761 /nfs/dbraw/zinc/76/47/61/523764761.db2.gz IIMKLYZPCPBVJO-UHFFFAOYSA-N 0 0 434.499 2.809 50 0 IFAARN CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)Cc2ccccc2F)C3)n(C)n1 ZINC000012159467 523768943 /nfs/dbraw/zinc/76/89/43/523768943.db2.gz UHHNYEOFNJLXBO-UHFFFAOYSA-N 0 0 449.530 2.882 50 0 IFAARN COc1ccc(C(=O)OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c1 ZINC000012521476 523770170 /nfs/dbraw/zinc/77/01/70/523770170.db2.gz GWUAFZYGZRBPTE-UHFFFAOYSA-N 0 0 438.402 2.925 50 0 IFAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(C)=O ZINC000036040147 523773346 /nfs/dbraw/zinc/77/33/46/523773346.db2.gz FBGMZJNXVFNTET-UHFFFAOYSA-N 0 0 441.553 2.900 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@@H]3C=CC=NN23)cc1 ZINC000253487504 523777528 /nfs/dbraw/zinc/77/75/28/523777528.db2.gz LETHFPKVHTZPFC-HAGHYFMRSA-N 0 0 435.867 2.946 50 0 IFAARN COCCN([C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000036003872 523780550 /nfs/dbraw/zinc/78/05/50/523780550.db2.gz WJTSCDNRFGUNED-MRXNPFEDSA-N 0 0 436.530 2.635 50 0 IFAARN COCCN1C(=O)C[C@](CC(=O)N(C)Cc2ccc(F)cc2)(c2ccccc2OC)C1=O ZINC000012098965 523799608 /nfs/dbraw/zinc/79/96/08/523799608.db2.gz NIWJMWFFEYEYGP-XMMPIXPASA-N 0 0 442.487 2.526 50 0 IFAARN COC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)Nc2nnc(C(F)(F)F)n2[C@]1(C)O ZINC000239358458 523809023 /nfs/dbraw/zinc/80/90/23/523809023.db2.gz NIVZTNPERHLOPR-IMSIIYSGSA-N 0 0 435.200 2.680 50 0 IFAARN CN(C(=O)COC(=O)CSc1cccc2cccc(Cl)c21)[C@H]1CCS(=O)(=O)C1 ZINC000016050884 523829154 /nfs/dbraw/zinc/82/91/54/523829154.db2.gz RIVILGUIGMIXHN-AWEZNQCLSA-N 0 0 441.958 2.774 50 0 IFAARN COc1ccc(C)cc1NC(=O)NCCn1cnc2cc(S(=O)(=O)NC(C)C)ccc21 ZINC000033310086 523832996 /nfs/dbraw/zinc/83/29/96/523832996.db2.gz PGNIHBWAHWPBMT-UHFFFAOYSA-N 0 0 445.545 2.862 50 0 IFAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000022793420 523839432 /nfs/dbraw/zinc/83/94/32/523839432.db2.gz MWTXQDBXLXTGOX-DEOSSOPVSA-N 0 0 436.556 2.580 50 0 IFAARN COc1ccc(C2=NC3(CCN(C(=O)Nc4ccc(OC)c(OC)c4)CC3)NC2=O)cc1 ZINC000020556721 523873639 /nfs/dbraw/zinc/87/36/39/523873639.db2.gz CTHNBOGXORYITK-UHFFFAOYSA-N 0 0 438.484 2.656 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN(C)C(C)=O)[C@@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000035947780 523875738 /nfs/dbraw/zinc/87/57/38/523875738.db2.gz UUBKOJCXGJCVAQ-OAQYLSRUSA-N 0 0 425.485 2.868 50 0 IFAARN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3[C@H](C)CC(C)C[C@H]3C)=C2)cc1OC ZINC000035268941 523880939 /nfs/dbraw/zinc/88/09/39/523880939.db2.gz NQGKQBKWXLNWJL-HUUCEWRRSA-N 0 0 435.546 2.603 50 0 IFAARN COCCNC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2cc(C)ccc2C)on1 ZINC000036015492 523889702 /nfs/dbraw/zinc/88/97/02/523889702.db2.gz WMNKECJIKZQIKP-GOSISDBHSA-N 0 0 429.517 2.732 50 0 IFAARN COCCNC(=O)C1CCN(c2c(NC(=O)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000033069404 523890297 /nfs/dbraw/zinc/89/02/97/523890297.db2.gz JSHURGKVMCRVTB-UHFFFAOYSA-N 0 0 427.549 2.754 50 0 IFAARN COCCNC(=O)C1CCN(c2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)CC1 ZINC000022585670 523890398 /nfs/dbraw/zinc/89/03/98/523890398.db2.gz IOGUCSHFBPONHO-UHFFFAOYSA-N 0 0 434.540 2.732 50 0 IFAARN COCCNC(=O)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 ZINC000012821174 523903976 /nfs/dbraw/zinc/90/39/76/523903976.db2.gz ZHSSDCGENVYJEP-UHFFFAOYSA-N 0 0 438.575 2.754 50 0 IFAARN CN1CCN(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)CC1 ZINC000012844702 523912771 /nfs/dbraw/zinc/91/27/71/523912771.db2.gz CAQCBCPZUXRQBH-UHFFFAOYSA-N 0 0 437.491 2.632 50 0 IFAARN COc1ccc(CCC(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)cc1 ZINC000011841962 523916681 /nfs/dbraw/zinc/91/66/81/523916681.db2.gz ZFSMVBVEXQIRND-LJQANCHMSA-N 0 0 425.533 2.583 50 0 IFAARN COCCNC(=O)[C@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1cccc(OC)c1 ZINC000035405806 523921717 /nfs/dbraw/zinc/92/17/17/523921717.db2.gz SUCIAOYIMUDZFK-QFIPXVFZSA-N 0 0 427.526 2.889 50 0 IFAARN COCCNC(=O)c1ccc(CN2C(=O)C(C)=C(c3ccc(C)c(C)c3)S2(=O)=O)cc1 ZINC000021913453 523923239 /nfs/dbraw/zinc/92/32/39/523923239.db2.gz YJBOOPFRTZRPRD-UHFFFAOYSA-N 0 0 442.537 2.783 50 0 IFAARN COCCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)c1 ZINC000033027691 523928732 /nfs/dbraw/zinc/92/87/32/523928732.db2.gz WVPKKSNRMPRNNG-UHFFFAOYSA-N 0 0 430.461 2.885 50 0 IFAARN COc1ccc(CCN2C[C@H](C(=O)Nc3ccc(OC)c(OC)c3)CC2=O)cc1OC ZINC000020728963 523952776 /nfs/dbraw/zinc/95/27/76/523952776.db2.gz QPUIZUIZPSPLQY-MRXNPFEDSA-N 0 0 428.485 2.751 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(c3nc4ccccc4[nH]c3=O)CC2)cc1OC ZINC000022582775 523955431 /nfs/dbraw/zinc/95/54/31/523955431.db2.gz SUFVAJMYOQMNBQ-UHFFFAOYSA-N 0 0 436.512 2.516 50 0 IFAARN CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)cc1 ZINC000012768850 523964728 /nfs/dbraw/zinc/96/47/28/523964728.db2.gz KMAOIHJSCWMWNJ-KRWDZBQOSA-N 0 0 429.542 2.799 50 0 IFAARN COc1ccc(CCNC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325373 523968385 /nfs/dbraw/zinc/96/83/85/523968385.db2.gz QUPBSWKIBVGNJH-MRXNPFEDSA-N 0 0 445.566 2.952 50 0 IFAARN COCCOC(=O)c1sc2[nH]c(CN(C)Cc3cccc(OC)c3)nc(=O)c2c1C ZINC000021324255 523971167 /nfs/dbraw/zinc/97/11/67/523971167.db2.gz YPGDYDDCCJNQCP-UHFFFAOYSA-N 0 0 431.514 2.737 50 0 IFAARN COc1ccc(CN(C(=O)COC(=O)c2nn(-c3ccccc3)c(C)cc2=O)C2CC2)cc1 ZINC000024106277 523988794 /nfs/dbraw/zinc/98/87/94/523988794.db2.gz JIUHGTFTAGJGBZ-UHFFFAOYSA-N 0 0 447.491 2.898 50 0 IFAARN CCc1ccc(NC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(C)C3=O)cc1 ZINC000021874713 523991457 /nfs/dbraw/zinc/99/14/57/523991457.db2.gz SYEIGKQOPBWUFO-DEOSSOPVSA-N 0 0 437.544 2.991 50 0 IFAARN CN(C)C(=O)[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c2ccccc2O1 ZINC000021477962 524013749 /nfs/dbraw/zinc/01/37/49/524013749.db2.gz XOEILCARKKSLEE-NRFANRHFSA-N 0 0 434.471 2.996 50 0 IFAARN CN(C)C(=O)[C@H]1CN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)c2ccccc2O1 ZINC000021477940 524017423 /nfs/dbraw/zinc/01/74/23/524017423.db2.gz MERHETXLNWGKGB-OAQYLSRUSA-N 0 0 434.496 2.927 50 0 IFAARN CN(C)C(=O)[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c2ccccc2O1 ZINC000021477964 524017520 /nfs/dbraw/zinc/01/75/20/524017520.db2.gz XOEILCARKKSLEE-OAQYLSRUSA-N 0 0 434.471 2.996 50 0 IFAARN COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(Cc3cc[nH]n3)CC2=O)cc1 ZINC000014541852 524041100 /nfs/dbraw/zinc/04/11/00/524041100.db2.gz MESMFSITQHDZFD-QFIPXVFZSA-N 0 0 438.503 2.987 50 0 IFAARN Cc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000012910722 524084647 /nfs/dbraw/zinc/08/46/47/524084647.db2.gz ZSNFVCQZZJNHMT-UHFFFAOYSA-N 0 0 430.526 2.611 50 0 IFAARN Cc1cc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc(S(=O)(=O)N(C)C)c1C ZINC000012766307 524106092 /nfs/dbraw/zinc/10/60/92/524106092.db2.gz ACFSIKDZOVTBAK-UHFFFAOYSA-N 0 0 426.542 2.729 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCC1 ZINC000035449041 524118005 /nfs/dbraw/zinc/11/80/05/524118005.db2.gz BPPMSMXYPPSJDU-QGZVFWFLSA-N 0 0 433.574 2.541 50 0 IFAARN COc1cccc([C@@]2(CC(=O)N3CCC[C@@H](C(C)=O)C3)CC(=O)N(C3CCCC3)C2=O)c1 ZINC000012036704 524138214 /nfs/dbraw/zinc/13/82/14/524138214.db2.gz QLSIPIGBGHBEMF-IQGLISFBSA-N 0 0 440.540 2.852 50 0 IFAARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000024536317 524140156 /nfs/dbraw/zinc/14/01/56/524140156.db2.gz WUXVBWCVUOETJE-UHFFFAOYSA-N 0 0 444.582 2.530 50 0 IFAARN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c1 ZINC000020326831 524155169 /nfs/dbraw/zinc/15/51/69/524155169.db2.gz YVKVSZXDLIRFAI-MRXNPFEDSA-N 0 0 443.525 2.788 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000016550969 524165297 /nfs/dbraw/zinc/16/52/97/524165297.db2.gz JMYVBCOLIHMMMK-GDBMZVCRSA-N 0 0 448.416 2.995 50 0 IFAARN Cc1cccc(C(=O)NCCC(=O)N(C)CC(=O)Nc2ccccc2Br)c1 ZINC000012911459 524191429 /nfs/dbraw/zinc/19/14/29/524191429.db2.gz GIUAAIWELGMEJJ-UHFFFAOYSA-N 0 0 432.318 2.975 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000021686711 524192201 /nfs/dbraw/zinc/19/22/01/524192201.db2.gz HQMVMLMQWJHVDU-CQSZACIVSA-N 0 0 439.921 2.591 50 0 IFAARN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000012850327 524211277 /nfs/dbraw/zinc/21/12/77/524211277.db2.gz FPUZAUXKRPOZBA-HNNXBMFYSA-N 0 0 429.904 2.531 50 0 IFAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)CC1=O ZINC000020725865 524218473 /nfs/dbraw/zinc/21/84/73/524218473.db2.gz FSGJDXIASQZYRM-OAHLLOKOSA-N 0 0 425.876 2.980 50 0 IFAARN Cc1cccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(S(C)(=O)=O)cc4)C3)o2)c1 ZINC000033291417 524222805 /nfs/dbraw/zinc/22/28/05/524222805.db2.gz FGQJXOOHWVTNHC-HNNXBMFYSA-N 0 0 440.481 2.554 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccccc1N1CCOCC1 ZINC000012550773 524223045 /nfs/dbraw/zinc/22/30/45/524223045.db2.gz XZHFWCWADXWVLL-UHFFFAOYSA-N 0 0 446.935 2.694 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN1CCCN(Cc2cccc(F)c2)S1(=O)=O ZINC000035447270 524224722 /nfs/dbraw/zinc/22/47/22/524224722.db2.gz MGKIHDHJGYXAHA-UHFFFAOYSA-N 0 0 441.912 2.879 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C ZINC000032946787 524226667 /nfs/dbraw/zinc/22/66/67/524226667.db2.gz CNAXKQARJQQOSU-UHFFFAOYSA-N 0 0 440.934 2.614 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2c(nc[nH]c2=O)n1C[C@@H]1CCCO1 ZINC000012371145 524226863 /nfs/dbraw/zinc/22/68/63/524226863.db2.gz RULHWPATNPAGHT-LBPRGKRZSA-N 0 0 449.920 2.691 50 0 biogenic,in-vitro IFAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000015767116 524231263 /nfs/dbraw/zinc/23/12/63/524231263.db2.gz XOUONVLHNZNSGC-UHFFFAOYSA-N 0 0 426.926 2.604 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)c1C ZINC000012786768 524250943 /nfs/dbraw/zinc/25/09/43/524250943.db2.gz ASRSETUTLNVMTL-UHFFFAOYSA-N 0 0 447.601 2.503 50 0 IFAARN Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000020447968 524251950 /nfs/dbraw/zinc/25/19/50/524251950.db2.gz ZGJCWPWOGMHLIF-UHFFFAOYSA-N 0 0 443.388 2.895 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012906997 524254860 /nfs/dbraw/zinc/25/48/60/524254860.db2.gz UGTIMIUYMHQNIP-HNNXBMFYSA-N 0 0 449.523 2.787 50 0 IFAARN COc1ccc(Cn2c(C)cn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 ZINC000012547183 524255576 /nfs/dbraw/zinc/25/55/76/524255576.db2.gz YYLZVRIXWACFGS-UHFFFAOYSA-N 0 0 443.507 2.871 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(Cc2ccccc2F)CC1 ZINC000022019316 524257369 /nfs/dbraw/zinc/25/73/69/524257369.db2.gz KMLKOFODPFYLQP-IBGZPJMESA-N 0 0 426.536 2.807 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000035452206 524272392 /nfs/dbraw/zinc/27/23/92/524272392.db2.gz FAWMGALCYRHJIQ-UHFFFAOYSA-N 0 0 437.905 2.547 50 0 IFAARN COc1ccccc1-c1coc2c(ccc3c2CN([C@H]2CCS(=O)(=O)C2)CO3)c1=O ZINC000012442538 524277239 /nfs/dbraw/zinc/27/72/39/524277239.db2.gz DIFVSOAUUZNMME-AWEZNQCLSA-N 0 0 427.478 2.808 50 0 IFAARN COc1ccccc1-n1c2nc(C)cc(C)c2c(=O)n(CC(=O)N(C)c2ccccc2)c1=O ZINC000012446415 524302499 /nfs/dbraw/zinc/30/24/99/524302499.db2.gz XTHOZFYJULTODV-UHFFFAOYSA-N 0 0 444.491 2.836 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[C@@H]1C ZINC000035264481 524306348 /nfs/dbraw/zinc/30/63/48/524306348.db2.gz BTAPIGPJDGLGEM-GPMSIDNRSA-N 0 0 427.998 2.587 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)c(C)c1 ZINC000012928994 524317814 /nfs/dbraw/zinc/31/78/14/524317814.db2.gz UKFVDVXDXDSOON-UHFFFAOYSA-N 0 0 438.553 2.944 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)c(C)c1 ZINC000012926163 524318001 /nfs/dbraw/zinc/31/80/01/524318001.db2.gz OZAJYZRXOANJJX-UHFFFAOYSA-N 0 0 444.553 2.920 50 0 IFAARN COc1ccccc1C(=O)Nc1nnc(SCc2cc(=O)n3nc(C)sc3n2)s1 ZINC000020983484 524360305 /nfs/dbraw/zinc/36/03/05/524360305.db2.gz OBJMHMIYYUHMTN-UHFFFAOYSA-N 0 0 446.539 2.864 50 0 IFAARN COc1ccc(N(CCC(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000012691662 524365592 /nfs/dbraw/zinc/36/55/92/524365592.db2.gz IDFQPRAIIYBPTI-UHFFFAOYSA-N 0 0 432.542 2.756 50 0 IFAARN COc1ccc(N(CCN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000012919126 524366818 /nfs/dbraw/zinc/36/68/18/524366818.db2.gz CMRKSTLVCOHKBL-UHFFFAOYSA-N 0 0 445.541 2.838 50 0 IFAARN COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)NCC23CC4CC(CC(C4)C2)C3)=C1 ZINC000020220006 524373492 /nfs/dbraw/zinc/37/34/92/524373492.db2.gz XSCGKTBYLWZNEH-UHFFFAOYSA-N 0 0 443.569 2.891 50 0 IFAARN Cc1ccc(CN(C)C(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)o1 ZINC000012372868 524381807 /nfs/dbraw/zinc/38/18/07/524381807.db2.gz YMNHGEWBGXVKJQ-UHFFFAOYSA-N 0 0 435.546 2.510 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[C@@H]1C ZINC000035264478 524396644 /nfs/dbraw/zinc/39/66/44/524396644.db2.gz BTAPIGPJDGLGEM-MDZRGWNJSA-N 0 0 427.998 2.587 50 0 IFAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)NCc1cccnc1 ZINC000032975550 524432647 /nfs/dbraw/zinc/43/26/47/524432647.db2.gz OLQBTDCNZUIRBH-RTBURBONSA-N 0 0 427.526 2.544 50 0 IFAARN Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000022914060 524434690 /nfs/dbraw/zinc/43/46/90/524434690.db2.gz LRYKIFYUYKHXAA-GOTSBHOMSA-N 0 0 441.597 2.788 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4nc(C)cs4)CC3)CC2=O)cc1 ZINC000012391779 524440544 /nfs/dbraw/zinc/44/05/44/524440544.db2.gz HNGBNDXDBYCFJD-INIZCTEOSA-N 0 0 442.541 2.690 50 0 IFAARN Cc1ccc(CN2CCCN(CC(=O)N[C@@H](C)CCc3ccccc3)S2(=O)=O)cc1 ZINC000020996669 524447740 /nfs/dbraw/zinc/44/77/40/524447740.db2.gz UYLBYPQNRGZYBG-FQEVSTJZSA-N 0 0 429.586 2.885 50 0 IFAARN COc1ccccc1CN1CCN(C(=O)[C@@H]2CCc3nc(N4CCCCC4)ncc3C2)CC1 ZINC000065289462 524451441 /nfs/dbraw/zinc/45/14/41/524451441.db2.gz ARNHKGBAZDGFDD-HXUWFJFHSA-N 0 0 449.599 2.925 50 0 IFAARN COc1ccccc1CNC(=O)Cn1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563630 524467591 /nfs/dbraw/zinc/46/75/91/524467591.db2.gz WEJGKOLQLPDVCX-UHFFFAOYSA-N 0 0 431.496 2.832 50 0 IFAARN COc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)cc1OC ZINC000021940826 524472296 /nfs/dbraw/zinc/47/22/96/524472296.db2.gz VANBJZFMOKGJNM-UHFFFAOYSA-N 0 0 435.484 2.980 50 0 IFAARN COc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)c(OC)c1 ZINC000021940829 524472435 /nfs/dbraw/zinc/47/24/35/524472435.db2.gz LKOIVODYJBGWNF-UHFFFAOYSA-N 0 0 435.484 2.980 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2CCC(C)C)n1 ZINC000012231654 524500354 /nfs/dbraw/zinc/50/03/54/524500354.db2.gz GXAZXLZXDPHHGW-UHFFFAOYSA-N 0 0 434.544 2.988 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C(C)C)n1 ZINC000012231525 524500688 /nfs/dbraw/zinc/50/06/88/524500688.db2.gz DUHZHRHBJSUNCC-UHFFFAOYSA-N 0 0 426.908 2.982 50 0 IFAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n32)cc1OC ZINC000021537384 524507547 /nfs/dbraw/zinc/50/75/47/524507547.db2.gz IEBQSRJWECPLEJ-UHFFFAOYSA-N 0 0 437.481 2.833 50 0 IFAARN Cc1ccc(CNC(=O)NCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000012793927 524525113 /nfs/dbraw/zinc/52/51/13/524525113.db2.gz ONDJWFZMOGNYOZ-UHFFFAOYSA-N 0 0 447.333 2.620 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1OC ZINC000012237688 524530605 /nfs/dbraw/zinc/53/06/05/524530605.db2.gz HIBBPYZPMQKJAO-UHFFFAOYSA-N 0 0 439.859 2.892 50 0 IFAARN COc1ccccc1N(CCC(N)=O)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000012931040 524531481 /nfs/dbraw/zinc/53/14/81/524531481.db2.gz FOULMMUDKWTAEE-UHFFFAOYSA-N 0 0 434.496 2.654 50 0 IFAARN COc1ccc(NC(=O)N2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)cc1OC ZINC000020556711 524542130 /nfs/dbraw/zinc/54/21/30/524542130.db2.gz ZVMHBWWVUYZUML-UHFFFAOYSA-N 0 0 426.448 2.786 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)CC1 ZINC000020567994 524543771 /nfs/dbraw/zinc/54/37/71/524543771.db2.gz RSCMQXHRHMCPOL-UHFFFAOYSA-N 0 0 445.585 2.899 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)CC2)c1 ZINC000021965579 524546663 /nfs/dbraw/zinc/54/66/63/524546663.db2.gz GORWZXYMMZQPOG-UUOWRZLLSA-N 0 0 426.561 2.780 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)CC2)c1 ZINC000021965571 524546769 /nfs/dbraw/zinc/54/67/69/524546769.db2.gz GORWZXYMMZQPOG-MHECFPHRSA-N 0 0 426.561 2.780 50 0 IFAARN COc1ccccc1N1CCN(c2ncc(S(=O)(=O)c3ccc(C)cc3)c(N)n2)CC1 ZINC000033301856 524566333 /nfs/dbraw/zinc/56/63/33/524566333.db2.gz QRHIXWCAKJAYCL-UHFFFAOYSA-N 0 0 439.541 2.535 50 0 IFAARN C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C[C@H](C)O1 ZINC000012772714 524583153 /nfs/dbraw/zinc/58/31/53/524583153.db2.gz ORXBTZAJTMQHQH-GJZGRUSLSA-N 0 0 429.970 2.562 50 0 IFAARN COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000021113581 524590419 /nfs/dbraw/zinc/59/04/19/524590419.db2.gz BAKQNULJJYGPLL-UHFFFAOYSA-N 0 0 441.509 2.576 50 0 IFAARN Cc1cccc(NC(=O)CSCC(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 ZINC000022465201 524602124 /nfs/dbraw/zinc/60/21/24/524602124.db2.gz WOKITMGQCDMILJ-GOSISDBHSA-N 0 0 433.599 2.918 50 0 IFAARN Cc1cccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)c1C ZINC000012347941 524604537 /nfs/dbraw/zinc/60/45/37/524604537.db2.gz CSTBZNRLNIERSR-UHFFFAOYSA-N 0 0 429.933 2.944 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)cc1OC ZINC000033267419 524612978 /nfs/dbraw/zinc/61/29/78/524612978.db2.gz OCSLBNHJJASVGE-HNNXBMFYSA-N 0 0 435.484 2.980 50 0 IFAARN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)c1 ZINC000035378936 524650880 /nfs/dbraw/zinc/65/08/80/524650880.db2.gz HARJPNYODFOBMR-MRXNPFEDSA-N 0 0 443.525 2.674 50 0 IFAARN COc1ccc(NC(=O)c2nnc(C(=O)NCc3cc(OC)ccc3OC)s2)cc1 ZINC000033060192 524656291 /nfs/dbraw/zinc/65/62/91/524656291.db2.gz LERBNHDBLFTQRU-UHFFFAOYSA-N 0 0 428.470 2.746 50 0 IFAARN COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)CSc2nc(C)cs2)C1 ZINC000012299141 524662656 /nfs/dbraw/zinc/66/26/56/524662656.db2.gz PTQHRMKMPFYVLW-MRXNPFEDSA-N 0 0 449.598 2.986 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000020721726 524670457 /nfs/dbraw/zinc/67/04/57/524670457.db2.gz SZTFVKGWAVGVDP-UHFFFAOYSA-N 0 0 431.250 2.644 50 0 IFAARN Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n(N)c2=O)cc1 ZINC000012348210 524695065 /nfs/dbraw/zinc/69/50/65/524695065.db2.gz IENRKPSAWRULJP-UHFFFAOYSA-N 0 0 429.933 2.944 50 0 IFAARN C[C@@H]1CCc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012634312 524727760 /nfs/dbraw/zinc/72/77/60/524727760.db2.gz BMCHCFWZKKXJFH-MRXNPFEDSA-N 0 0 449.523 2.639 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C[C@H](O)c3ccccc3)nn2)CC1 ZINC000077100517 524733511 /nfs/dbraw/zinc/73/35/11/524733511.db2.gz NKGLUNNKVMUJNA-NRFANRHFSA-N 0 0 425.920 2.936 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C[C@@H](O)c3ccccc3)nn2)CC1 ZINC000077100518 524733656 /nfs/dbraw/zinc/73/36/56/524733656.db2.gz NKGLUNNKVMUJNA-OAQYLSRUSA-N 0 0 425.920 2.936 50 0 IFAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)c(Cl)c2)C1=O ZINC000015858346 524748653 /nfs/dbraw/zinc/74/86/53/524748653.db2.gz DLOUHOCTYFLYAU-HNNXBMFYSA-N 0 0 447.944 2.615 50 0 IFAARN Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)N[C@@H](C)c3ccccc3)c3cccnc32)cc1 ZINC000035450305 524762066 /nfs/dbraw/zinc/76/20/66/524762066.db2.gz VHYFPXILBAUHHV-SFHVURJKSA-N 0 0 428.492 2.792 50 0 IFAARN Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NCc3cccc(C)c3)c3cccnc32)cc1 ZINC000035450321 524762401 /nfs/dbraw/zinc/76/24/01/524762401.db2.gz QWLIZUOFQQGFKL-UHFFFAOYSA-N 0 0 428.492 2.540 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3nc(C)nc4onc(C)c43)C2)c1 ZINC000021881366 524832628 /nfs/dbraw/zinc/83/26/28/524832628.db2.gz NLRZMSFPYLSWEC-OAHLLOKOSA-N 0 0 425.489 2.785 50 0 IFAARN COc1ccc(OC)c(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)c1 ZINC000016980832 524847119 /nfs/dbraw/zinc/84/71/19/524847119.db2.gz RPKPWFLHHJRKCV-UHFFFAOYSA-N 0 0 425.489 2.778 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c4cc(OC)c(OC)cc4[nH]c3c2=O)c1 ZINC000035423667 524856301 /nfs/dbraw/zinc/85/63/01/524856301.db2.gz MMMFUFDCYBHVJV-UHFFFAOYSA-N 0 0 438.440 2.551 50 0 IFAARN Cc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC000020487145 524879242 /nfs/dbraw/zinc/87/92/42/524879242.db2.gz DVQVDPQVCUVDCR-UHFFFAOYSA-N 0 0 429.542 2.533 50 0 IFAARN COc1ccc(OC)c([C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C(=O)N2CCCC2)c1 ZINC000036060862 524897725 /nfs/dbraw/zinc/89/77/25/524897725.db2.gz KYNDDQBBLJLNNH-SFTDATJTSA-N 0 0 444.553 2.731 50 0 IFAARN Cc1ccc(N([C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1C ZINC000020529912 524901551 /nfs/dbraw/zinc/90/15/51/524901551.db2.gz NZWSALOLLHZZCH-HXUWFJFHSA-N 0 0 429.586 2.802 50 0 IFAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000035570580 524905146 /nfs/dbraw/zinc/90/51/46/524905146.db2.gz WXWONUZARXVLIM-UHFFFAOYSA-N 0 0 437.949 2.602 50 0 IFAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 ZINC000012875970 524913650 /nfs/dbraw/zinc/91/36/50/524913650.db2.gz BBLDOVQOISIMDX-INIZCTEOSA-N 0 0 430.526 2.736 50 0 IFAARN COc1ccc(OC)c([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C(=O)N2CCCC2)c1 ZINC000036060863 524916943 /nfs/dbraw/zinc/91/69/43/524916943.db2.gz KYNDDQBBLJLNNH-RTWAWAEBSA-N 0 0 444.553 2.731 50 0 IFAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)[C@H]2c2cccs2)cc1 ZINC000240333700 524917527 /nfs/dbraw/zinc/91/75/27/524917527.db2.gz FETRFZDGWQDFIA-KNBMTAEXSA-N 0 0 432.567 2.844 50 0 IFAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000020928171 524920896 /nfs/dbraw/zinc/92/08/96/524920896.db2.gz MSYJRWXEGYIQEK-JOCHJYFZSA-N 0 0 435.590 2.591 50 0 IFAARN C[C@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(S(C)(=O)=O)cc1 ZINC000010968374 524933794 /nfs/dbraw/zinc/93/37/94/524933794.db2.gz BSBHWRDHKLZLDJ-SCUMNGBJSA-N 0 0 432.586 2.990 50 0 IFAARN C[C@H](NC(=O)CSc1nnc(C2CC2)n1CCC(N)=O)c1ccc2c(c1)CCCC2 ZINC000022407407 524977669 /nfs/dbraw/zinc/97/76/69/524977669.db2.gz NYHOGVJJDNXZDT-AWEZNQCLSA-N 0 0 427.574 2.879 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2=O)cc1 ZINC000012760638 524979319 /nfs/dbraw/zinc/97/93/19/524979319.db2.gz SWHZKXPEPSBPAH-KRWDZBQOSA-N 0 0 427.526 2.771 50 0 IFAARN C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(-n2cncn2)cc1 ZINC000012691096 524989191 /nfs/dbraw/zinc/98/91/91/524989191.db2.gz JQRATOYRBPWXSQ-HNNXBMFYSA-N 0 0 445.570 2.533 50 0 IFAARN COc1ccc(Oc2coc3c(ccc4c3CN([C@@H]3CCS(=O)(=O)C3)CO4)c2=O)cc1 ZINC000012442558 524993959 /nfs/dbraw/zinc/99/39/59/524993959.db2.gz XSEHWSJBBLOSLQ-CQSZACIVSA-N 0 0 443.477 2.933 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1ccc(Br)cc1 ZINC000015288424 524999927 /nfs/dbraw/zinc/99/99/27/524999927.db2.gz FLFKJYREPCGQNK-UHFFFAOYSA-N 0 0 442.335 2.759 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccccc3)n2)cc1OC ZINC000021883030 525004836 /nfs/dbraw/zinc/00/48/36/525004836.db2.gz LBUOSXJZHCWUDX-UHFFFAOYSA-N 0 0 433.486 2.529 50 0 IFAARN COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1OC ZINC000012756665 525015852 /nfs/dbraw/zinc/01/58/52/525015852.db2.gz XXADTLHCIMBYPP-UHFFFAOYSA-N 0 0 430.526 2.949 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccc(F)cc4nc3C)CC2)cc1 ZINC000012792321 525035354 /nfs/dbraw/zinc/03/53/54/525035354.db2.gz MPGJVYZCSIYGMN-UHFFFAOYSA-N 0 0 443.500 2.838 50 0 IFAARN Cc1ccc(NC(=O)CCCn2cnc3c(C)cccc3c2=O)cc1S(=O)(=O)N(C)C ZINC000012682061 525035687 /nfs/dbraw/zinc/03/56/87/525035687.db2.gz FKYCSGCVZHPHFR-UHFFFAOYSA-N 0 0 442.541 2.683 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1OC ZINC000012871276 525037559 /nfs/dbraw/zinc/03/75/59/525037559.db2.gz HOWUKYZHSZCWMS-UHFFFAOYSA-N 0 0 443.525 2.865 50 0 IFAARN Cc1ccc(NC(=O)CCc2nnc3ccc(NCCCN4CCCC4=O)nn32)cc1F ZINC000015776768 525040666 /nfs/dbraw/zinc/04/06/66/525040666.db2.gz OLBXGERFMAKHLK-UHFFFAOYSA-N 0 0 439.495 2.568 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1F ZINC000021531845 525045041 /nfs/dbraw/zinc/04/50/41/525045041.db2.gz ZJJARCKTSALANT-UHFFFAOYSA-N 0 0 437.518 2.828 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N=c3[nH]c4ccccc4[nH]3)ccc2Cl)C[C@H](C)O1 ZINC000016019820 525048205 /nfs/dbraw/zinc/04/82/05/525048205.db2.gz DTUQYTKDSDCNRV-BETUJISGSA-N 0 0 448.932 2.688 50 0 IFAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCC(C)C)cc1OC ZINC000013362237 525050273 /nfs/dbraw/zinc/05/02/73/525050273.db2.gz QIYXMKSDMXNPDJ-HXUWFJFHSA-N 0 0 446.569 2.982 50 0 IFAARN Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1Cl ZINC000012536959 525057460 /nfs/dbraw/zinc/05/74/60/525057460.db2.gz KDFFFCXJQGUGSI-HXUWFJFHSA-N 0 0 429.904 2.713 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc1 ZINC000012713550 525062234 /nfs/dbraw/zinc/06/22/34/525062234.db2.gz FPGMCYQOLWIPSG-SFHVURJKSA-N 0 0 432.542 2.681 50 0 IFAARN C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000035590447 525075676 /nfs/dbraw/zinc/07/56/76/525075676.db2.gz YWVVOSOOEFJZIF-CHWSQXEVSA-N 0 0 432.887 2.662 50 0 IFAARN Cc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NCc2ccc(F)cc2)cc1 ZINC000017042180 525082027 /nfs/dbraw/zinc/08/20/27/525082027.db2.gz YJHPZRPNEDFLPU-UHFFFAOYSA-N 0 0 442.516 2.870 50 0 IFAARN COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1 ZINC000021011181 525089483 /nfs/dbraw/zinc/08/94/83/525089483.db2.gz VWVBONCWBOIGGF-UHFFFAOYSA-N 0 0 440.457 2.542 50 0 IFAARN C[C@@H](NC(=O)CSc1nnc(C2CC2)n1CCC(N)=O)c1ccc2c(c1)CCCC2 ZINC000022407404 525126445 /nfs/dbraw/zinc/12/64/45/525126445.db2.gz NYHOGVJJDNXZDT-CQSZACIVSA-N 0 0 427.574 2.879 50 0 IFAARN CS(=O)(=O)Cc1ccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000021532693 525141979 /nfs/dbraw/zinc/14/19/79/525141979.db2.gz JHYGSRRPFGLMAL-UHFFFAOYSA-N 0 0 441.475 2.998 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000015821781 525147834 /nfs/dbraw/zinc/14/78/34/525147834.db2.gz VRZFISOTTXGICD-UHFFFAOYSA-N 0 0 441.475 2.820 50 0 IFAARN Cc1ccc(NC(=O)NC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)cc1C ZINC000021690905 525152267 /nfs/dbraw/zinc/15/22/67/525152267.db2.gz UFCAYVKQTFZTDY-UHFFFAOYSA-N 0 0 430.534 2.507 50 0 IFAARN Cc1cc(NC(=O)COc2ccccc2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 ZINC000012444275 525153026 /nfs/dbraw/zinc/15/30/26/525153026.db2.gz PHJJYJSZSPWJFQ-UHFFFAOYSA-N 0 0 441.451 2.620 50 0 IFAARN Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OC[C@@H](C(=O)N1CCCCC1)O2 ZINC000020989711 525167465 /nfs/dbraw/zinc/16/74/65/525167465.db2.gz XSDDBSGVUGKRQX-NRFANRHFSA-N 0 0 430.526 2.626 50 0 IFAARN Cc1ccc(NC(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000012550121 525188022 /nfs/dbraw/zinc/18/80/22/525188022.db2.gz BHLQKBBPUINELY-UHFFFAOYSA-N 0 0 431.514 2.758 50 0 IFAARN COc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c2nccn2C)cc1 ZINC000012520550 525197277 /nfs/dbraw/zinc/19/72/77/525197277.db2.gz SUCNSQZWGMKELD-NFBKMPQASA-N 0 0 432.524 2.991 50 0 IFAARN C[C@]1(C(=O)NC2CCCCCC2)CN(S(C)(=O)=O)CC(=O)N1c1ccc(Cl)cc1 ZINC000020927902 525200814 /nfs/dbraw/zinc/20/08/14/525200814.db2.gz MJBSAHBVTXAVPZ-HXUWFJFHSA-N 0 0 441.981 2.546 50 0 IFAARN C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000023183791 525207570 /nfs/dbraw/zinc/20/75/70/525207570.db2.gz GDCFYBWCLNAYOD-BBRMVZONSA-N 0 0 433.302 2.866 50 0 IFAARN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)no1 ZINC000012507827 525209693 /nfs/dbraw/zinc/20/96/93/525209693.db2.gz OVLMQNVTTVWSDY-CQSZACIVSA-N 0 0 429.454 2.968 50 0 IFAARN CS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)cc1 ZINC000021707003 525216598 /nfs/dbraw/zinc/21/65/98/525216598.db2.gz DUNUQXATKNGMCR-FQEVSTJZSA-N 0 0 443.569 2.659 50 0 IFAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)cc1 ZINC000012728170 525216875 /nfs/dbraw/zinc/21/68/75/525216875.db2.gz YJWZUHMKXRKMQC-QGZVFWFLSA-N 0 0 431.495 2.960 50 0 IFAARN CS(=O)(=O)Nc1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 ZINC000022384358 525221936 /nfs/dbraw/zinc/22/19/36/525221936.db2.gz SQRCWCUGNKLLCS-UHFFFAOYSA-N 0 0 434.495 2.877 50 0 IFAARN Cc1ccc(NC(=O)c2c(Cl)nc3sccn32)cc1S(=O)(=O)N1CCOCC1 ZINC000012600057 525228727 /nfs/dbraw/zinc/22/87/27/525228727.db2.gz CFWISXPYQQPFKB-UHFFFAOYSA-N 0 0 440.934 2.631 50 0 IFAARN COc1ccc([C@@H]2CCCCCN2C(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)cc1 ZINC000012677366 525240847 /nfs/dbraw/zinc/24/08/47/525240847.db2.gz SHHLARVZSZDRBA-FQEVSTJZSA-N 0 0 434.496 2.648 50 0 IFAARN Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)C1 ZINC000035378815 525262192 /nfs/dbraw/zinc/26/21/92/525262192.db2.gz VBUHAUDXMZFTOM-INIZCTEOSA-N 0 0 443.525 2.674 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)sc2c1 ZINC000020745343 525266437 /nfs/dbraw/zinc/26/64/37/525266437.db2.gz RZUGBLOGCXSOME-NSHDSACASA-N 0 0 433.486 2.831 50 0 IFAARN CS(=O)(=O)c1ccccc1C(=O)N(CCN1CCOCC1)c1nc2ccccc2s1 ZINC000022998183 525276235 /nfs/dbraw/zinc/27/62/35/525276235.db2.gz JCDALXKLTYOZBL-UHFFFAOYSA-N 0 0 445.566 2.679 50 0 IFAARN Cc1ccccc1Nc1nnc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)s1 ZINC000012525695 525277834 /nfs/dbraw/zinc/27/78/34/525277834.db2.gz QVYBOIUTEBBRLZ-UHFFFAOYSA-N 0 0 443.558 2.520 50 0 IFAARN C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O ZINC000012802557 525321631 /nfs/dbraw/zinc/32/16/31/525321631.db2.gz SGWHJBIAMJNCDB-OAQYLSRUSA-N 0 0 431.481 2.753 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(COC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1 ZINC000021604672 525327742 /nfs/dbraw/zinc/32/77/42/525327742.db2.gz ZRAHKQNMDIBLQJ-INIZCTEOSA-N 0 0 432.484 2.911 50 0 IFAARN Cc1ccccc1S(=O)(=O)N1CCC(C)(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000035531320 525328177 /nfs/dbraw/zinc/32/81/77/525328177.db2.gz LPWQTTZTEZJXIS-UHFFFAOYSA-N 0 0 430.526 2.831 50 0 IFAARN COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc(N3CCOCC3)nc2)cc1 ZINC000022139808 525346465 /nfs/dbraw/zinc/34/64/65/525346465.db2.gz PAXRUXBAKUHNOA-FQEVSTJZSA-N 0 0 427.501 2.740 50 0 IFAARN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000012804248 525351852 /nfs/dbraw/zinc/35/18/52/525351852.db2.gz KMLOJVWLPJZZSU-LLVKDONJSA-N 0 0 444.854 2.852 50 0 IFAARN Cc1cc(OC(F)F)ccc1NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035395500 525357425 /nfs/dbraw/zinc/35/74/25/525357425.db2.gz PCYNIEWDSCUMOA-UHFFFAOYSA-N 0 0 445.513 2.603 50 0 IFAARN COc1ccc([C@H](NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c2nccn2C)cc1 ZINC000012520799 525369068 /nfs/dbraw/zinc/36/90/68/525369068.db2.gz SAWXNWKXNLFZPQ-NRFANRHFSA-N 0 0 429.480 2.604 50 0 IFAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000012563280 525378740 /nfs/dbraw/zinc/37/87/40/525378740.db2.gz FVOMCIWXZIXYHF-OKILXGFUSA-N 0 0 445.379 2.588 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 ZINC000022008287 525410590 /nfs/dbraw/zinc/41/05/90/525410590.db2.gz NISHKOUWVWZSCR-LJQANCHMSA-N 0 0 427.526 2.953 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2cc(C)cc(C)c2)c1C(=O)N1CCCC1 ZINC000032996396 525413241 /nfs/dbraw/zinc/41/32/41/525413241.db2.gz DQQBUAKGQIVEBR-UHFFFAOYSA-N 0 0 446.573 2.791 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1C(=O)N1CCCCC1 ZINC000020989784 525413838 /nfs/dbraw/zinc/41/38/38/525413838.db2.gz GVMKTLINULOBLB-UHFFFAOYSA-N 0 0 444.601 2.764 50 0 IFAARN COc1ccc([C@]2(CC(=O)NCCCOC(C)C)CC(=O)N(C3CCCC3)C2=O)cc1 ZINC000012098762 525446919 /nfs/dbraw/zinc/44/69/19/525446919.db2.gz NIABCSFVEBRAFL-DEOSSOPVSA-N 0 0 430.545 2.956 50 0 IFAARN Cc1nc2[nH]c(NCc3ccccc3)nn2c(=O)c1CCC(=O)N1CCc2ccccc2C1 ZINC000021803905 525449163 /nfs/dbraw/zinc/44/91/63/525449163.db2.gz MNWFSNSFFHOXPL-UHFFFAOYSA-N 0 0 442.523 2.856 50 0 IFAARN Cc1nc2[nH]c(NCc3cccs3)nn2c(=O)c1CCC(=O)N1CCc2ccccc2C1 ZINC000021804344 525449585 /nfs/dbraw/zinc/44/95/85/525449585.db2.gz ZPQBLBWWKFAYEV-UHFFFAOYSA-N 0 0 448.552 2.917 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n(-c2ccc(C)c(C)c2)c1=O ZINC000020610817 525483854 /nfs/dbraw/zinc/48/38/54/525483854.db2.gz ZJURLIWOMLWONQ-OAQYLSRUSA-N 0 0 432.480 2.573 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n([C@@H](C)c2ccccc2)c1=O ZINC000020757517 525485169 /nfs/dbraw/zinc/48/51/69/525485169.db2.gz CXGJFWDEGVAWEI-ZSEKCTLFSA-N 0 0 432.480 2.577 50 0 IFAARN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N[C@@H]4CCOC4)c3C3CC3)ncc1CC2 ZINC000014980452 525506297 /nfs/dbraw/zinc/50/62/97/525506297.db2.gz BMFCKMSHNULVAZ-QGZVFWFLSA-N 0 0 431.496 2.833 50 0 IFAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCN(c4ncccn4)CC3)c(=O)c12 ZINC000009798954 525508769 /nfs/dbraw/zinc/50/87/69/525508769.db2.gz OULZAGWHUAXARV-UHFFFAOYSA-N 0 0 446.536 2.572 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCCO4)CC2)c(C)c1 ZINC000012912122 525519092 /nfs/dbraw/zinc/51/90/92/525519092.db2.gz WYMLQZKWXPZPFY-UHFFFAOYSA-N 0 0 444.553 2.792 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCC[C@@H](C)C3)CC2)cc1C ZINC000023077377 525521083 /nfs/dbraw/zinc/52/10/83/525521083.db2.gz CSHLRSTTYWUISJ-MRXNPFEDSA-N 0 0 436.574 2.506 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc2N1C(=O)C1CC1 ZINC000020516849 525521724 /nfs/dbraw/zinc/52/17/24/525521724.db2.gz QQKGJBHLVBPTSH-GOSISDBHSA-N 0 0 439.581 2.881 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccc4c(c3)OCO4)ccc2N1C(=O)C1CCC1 ZINC000021871034 525522763 /nfs/dbraw/zinc/52/27/63/525522763.db2.gz HHKIYZAQDZKKEW-CQSZACIVSA-N 0 0 428.510 2.972 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)Nc3ccccc3F)ccc2N1C(=O)C1CC1 ZINC000020529712 525522851 /nfs/dbraw/zinc/52/28/51/525522851.db2.gz OZLITASSHCCXJR-CQSZACIVSA-N 0 0 445.516 2.820 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000012875507 525529333 /nfs/dbraw/zinc/52/93/33/525529333.db2.gz VROFCWXNNLUFCL-UHFFFAOYSA-N 0 0 435.977 2.661 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000012788811 525530087 /nfs/dbraw/zinc/53/00/87/525530087.db2.gz XYUVLOFRQKPPJV-WOJBJXKFSA-N 0 0 429.586 2.957 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)cc1 ZINC000012559577 525541669 /nfs/dbraw/zinc/54/16/69/525541669.db2.gz IBIKGEPAZFALQN-UHFFFAOYSA-N 0 0 428.489 2.671 50 0 IFAARN Cc1c(C(=O)N2CCC(O)CC2)sc2ncnc(NC[C@H]3COc4ccccc4O3)c12 ZINC000012132164 525571662 /nfs/dbraw/zinc/57/16/62/525571662.db2.gz AAYUDXZRFMGLRE-HNNXBMFYSA-N 0 0 440.525 2.849 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2n1C(F)F ZINC000012520029 525575922 /nfs/dbraw/zinc/57/59/22/525575922.db2.gz QOHVAAORUMCCEH-LLVKDONJSA-N 0 0 429.470 2.874 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000012745091 525578810 /nfs/dbraw/zinc/57/88/10/525578810.db2.gz QGFRMOCTUVUZNS-GFCCVEGCSA-N 0 0 442.440 2.755 50 0 IFAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cnn1-c1cccc(C)c1 ZINC000012821685 525582672 /nfs/dbraw/zinc/58/26/72/525582672.db2.gz NSKYRFOOWIUYGL-UHFFFAOYSA-N 0 0 442.516 2.775 50 0 IFAARN Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)N[C@H]3CCCC[C@@H]3C)cc1CC2 ZINC000020510574 525587672 /nfs/dbraw/zinc/58/76/72/525587672.db2.gz MYQASAHYBCFGLD-YJBOKZPZSA-N 0 0 440.544 2.717 50 0 IFAARN Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)N[C@@H]3CCCC[C@@H]3C)cc1CC2 ZINC000020510578 525587934 /nfs/dbraw/zinc/58/79/34/525587934.db2.gz MYQASAHYBCFGLD-MAUKXSAKSA-N 0 0 440.544 2.717 50 0 IFAARN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000020977222 525591092 /nfs/dbraw/zinc/59/10/92/525591092.db2.gz URQFQQWHOMEUDO-INIZCTEOSA-N 0 0 431.539 2.659 50 0 IFAARN COc1ccc2c(c1)c1nc(SCC(=O)NCc3ccc(F)cc3)n(C)c(=O)c1n2C ZINC000033287703 525603840 /nfs/dbraw/zinc/60/38/40/525603840.db2.gz NGFTVSOYMPGORI-UHFFFAOYSA-N 0 0 440.500 2.981 50 0 IFAARN Cc1ccn2cc(C(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 ZINC000012540030 525613761 /nfs/dbraw/zinc/61/37/61/525613761.db2.gz RDKJRKBVAPHQSG-UHFFFAOYSA-N 0 0 434.521 2.943 50 0 IFAARN C[C@@H]1Oc2ccccc2N(CCC(=O)NCC(=O)Nc2ccccc2Br)C1=O ZINC000012769268 525614351 /nfs/dbraw/zinc/61/43/51/525614351.db2.gz WZCSQVVZKFYOBV-ZDUSSCGKSA-N 0 0 446.301 2.708 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N3CCCC[C@H]3C)CC1)O[C@@H](C)C(=O)N2 ZINC000032958916 525614322 /nfs/dbraw/zinc/61/43/22/525614322.db2.gz GOXGFNRBSBPLFA-CVEARBPZSA-N 0 0 449.573 2.516 50 0 IFAARN C[C@@H]1Oc2ccccc2N(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000012767125 525615099 /nfs/dbraw/zinc/61/50/99/525615099.db2.gz TZASCBMOVZIEDV-ZDUSSCGKSA-N 0 0 435.402 2.916 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)[C@@H](C)CC(=O)NCc1ccccc1Cl)OCC(=O)N2 ZINC000015680401 525616017 /nfs/dbraw/zinc/61/60/17/525616017.db2.gz GKDRRYTVMZBCEU-ZDUSSCGKSA-N 0 0 436.917 2.848 50 0 IFAARN Cc1cc2nc(COC(=O)c3ccccc3NC(=O)c3ccc4c(c3)OCO4)cc(=O)n2o1 ZINC000015772352 525672893 /nfs/dbraw/zinc/67/28/93/525672893.db2.gz FWDYZWXIWUPOMR-UHFFFAOYSA-N 0 0 447.403 2.934 50 0 IFAARN Cc1cc2nc(CSc3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)cc(=O)n2o1 ZINC000020984540 525677939 /nfs/dbraw/zinc/67/79/39/525677939.db2.gz JDSXZCRHWGIYPF-UHFFFAOYSA-N 0 0 443.466 2.721 50 0 IFAARN Cc1ccnc(NC(=O)CCc2nnc3ccc(NCc4ccc5c(c4)OCO5)nn32)c1 ZINC000015776670 525678027 /nfs/dbraw/zinc/67/80/27/525678027.db2.gz SCWRZWDKVKWIKH-UHFFFAOYSA-N 0 0 431.456 2.740 50 0 IFAARN COc1ccc2[nH]c(SCC(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)nc2c1 ZINC000022185724 525678559 /nfs/dbraw/zinc/67/85/59/525678559.db2.gz UZZCCIQFTCHLFH-GOSISDBHSA-N 0 0 426.542 2.681 50 0 IFAARN Cc1ccc(-c2nc(CSc3ccc(S(=O)(=O)N4CCOCC4)cn3)no2)cc1 ZINC000012643936 525816655 /nfs/dbraw/zinc/81/66/55/525816655.db2.gz DAIVBFTWRDJMSI-UHFFFAOYSA-N 0 0 432.527 2.753 50 0 IFAARN COc1cccc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)c4ccncc4)CC3)O2)c1OC ZINC000012452071 525821971 /nfs/dbraw/zinc/82/19/71/525821971.db2.gz RZXLWVVKILVFIR-SFHVURJKSA-N 0 0 439.512 2.683 50 0 IFAARN Cc1ccc(-c2nc3n(n2)c(=O)c2c(n3CC(=O)NCc3ccccc3C)CCC2)cc1 ZINC000033324805 525827861 /nfs/dbraw/zinc/82/78/61/525827861.db2.gz CWQHCYXPMAAKMD-UHFFFAOYSA-N 0 0 427.508 2.980 50 0 IFAARN Cc1c(NC(=O)COC(=O)CSc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000012928737 525837009 /nfs/dbraw/zinc/83/70/09/525837009.db2.gz DBTLOHPZNMZPCP-UHFFFAOYSA-N 0 0 429.473 2.898 50 0 IFAARN COc1cccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000012540345 525838664 /nfs/dbraw/zinc/83/86/64/525838664.db2.gz UFMGPCVYOPYPHE-UHFFFAOYSA-N 0 0 446.525 2.974 50 0 IFAARN Cc1c(N[C@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)c(=O)n(-c2ccccc2)n1C ZINC000035682708 525877656 /nfs/dbraw/zinc/87/76/56/525877656.db2.gz MPMLYLFZNSBTHL-IBGZPJMESA-N 0 0 435.528 2.939 50 0 IFAARN Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4ccc(Cl)nc4)CC3)n2)cc1 ZINC000012867197 525879606 /nfs/dbraw/zinc/87/96/06/525879606.db2.gz DCIQNXJODQXCNG-UHFFFAOYSA-N 0 0 433.921 2.600 50 0 IFAARN C[C@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012532624 525882895 /nfs/dbraw/zinc/88/28/95/525882895.db2.gz IJJZSXPWNMLTTJ-IOAHRDFVSA-N 0 0 442.512 2.661 50 0 IFAARN C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCC[C@@H](C)[C@H]2C)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000034887491 525885182 /nfs/dbraw/zinc/88/51/82/525885182.db2.gz MBEKJHUHBKSWHB-XLKGFZLASA-N 0 0 430.501 2.959 50 0 IFAARN C[C@@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000021123918 525886101 /nfs/dbraw/zinc/88/61/01/525886101.db2.gz DKELPWZNKYWWJS-MRXNPFEDSA-N 0 0 438.546 2.548 50 0 IFAARN C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 ZINC000012928712 525886962 /nfs/dbraw/zinc/88/69/62/525886962.db2.gz ZUGMYNGIPOYBRZ-OAHLLOKOSA-N 0 0 438.933 2.599 50 0 IFAARN C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012551760 525892331 /nfs/dbraw/zinc/89/23/31/525892331.db2.gz UQTIOYVHKAPHSY-HNNXBMFYSA-N 0 0 431.514 2.508 50 0 IFAARN C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O ZINC000012802551 525894329 /nfs/dbraw/zinc/89/43/29/525894329.db2.gz SGWHJBIAMJNCDB-NRFANRHFSA-N 0 0 431.481 2.753 50 0 IFAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)NCc3ccco3)nnc2N2CCOCC2)cc1 ZINC000024982747 525903754 /nfs/dbraw/zinc/90/37/54/525903754.db2.gz VXCFEGFDSVDKTQ-INIZCTEOSA-N 0 0 427.530 2.802 50 0 IFAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCOc1cc(N2CCOCC2)ncn1 ZINC000035598371 525925472 /nfs/dbraw/zinc/92/54/72/525925472.db2.gz PPNQDFNKTLELHX-CYBMUJFWSA-N 0 0 441.315 2.583 50 0 IFAARN Cc1ccc(-n2nnnc2SCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000001126834 525938302 /nfs/dbraw/zinc/93/83/02/525938302.db2.gz GORBDCQUDGBBIL-UHFFFAOYSA-N 0 0 426.521 2.859 50 0 IFAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012693811 525945621 /nfs/dbraw/zinc/94/56/21/525945621.db2.gz DIYVGDJGURQVLF-AWEZNQCLSA-N 0 0 426.897 2.780 50 0 IFAARN COc1cccc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 ZINC000020766325 525946406 /nfs/dbraw/zinc/94/64/06/525946406.db2.gz WILNOBIWENAFTR-UHFFFAOYSA-N 0 0 425.348 2.964 50 0 IFAARN COc1cccc(CNC(=O)CCCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)c1 ZINC000021640580 525965711 /nfs/dbraw/zinc/96/57/11/525965711.db2.gz YGLDHSNPNCSIBR-UHFFFAOYSA-N 0 0 435.459 2.667 50 0 IFAARN Cc1c2ccc(OCC(=O)NCCN3CCOCC3)cc2oc(=O)c1Cc1ccccc1 ZINC000020566465 525965907 /nfs/dbraw/zinc/96/59/07/525965907.db2.gz HLHVOLJRLGQWLP-UHFFFAOYSA-N 0 0 436.508 2.519 50 0 IFAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Cn3nc4ccccc4n3)C2)c1 ZINC000012747957 525967310 /nfs/dbraw/zinc/96/73/10/525967310.db2.gz FUEDZLJVWQIXAB-SFHVURJKSA-N 0 0 435.528 2.775 50 0 IFAARN C[C@@H](Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1)C(=O)NC1CCCC1 ZINC000022358318 526002356 /nfs/dbraw/zinc/00/23/56/526002356.db2.gz KGNOUWCFMUSENM-QGZVFWFLSA-N 0 0 444.601 2.658 50 0 IFAARN C[C@@H](Sc1nnnn1-c1cccc(F)c1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022024815 526019406 /nfs/dbraw/zinc/01/94/06/526019406.db2.gz SBRIJIJWRLLXIS-MRXNPFEDSA-N 0 0 426.521 2.626 50 0 IFAARN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012749613 526021936 /nfs/dbraw/zinc/02/19/36/526021936.db2.gz OYXOJHGIVKJSTO-DNBYOKIBSA-N 0 0 449.592 2.606 50 0 IFAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccccc1OCC(F)(F)F ZINC000012773252 526066036 /nfs/dbraw/zinc/06/60/36/526066036.db2.gz NNEIQXWZCNQDCS-CYBMUJFWSA-N 0 0 445.463 2.907 50 0 IFAARN CSc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2=O)c1 ZINC000012263354 526108368 /nfs/dbraw/zinc/10/83/68/526108368.db2.gz PXBWGKRVIHTFKY-OAHLLOKOSA-N 0 0 445.566 2.940 50 0 IFAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c(C)c1 ZINC000012771090 526112964 /nfs/dbraw/zinc/11/29/64/526112964.db2.gz KWQZLGMOBRTYKV-UHFFFAOYSA-N 0 0 430.526 2.611 50 0 IFAARN CSc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 ZINC000020994279 526131263 /nfs/dbraw/zinc/13/12/63/526131263.db2.gz UWKRICRMVHTVTO-CYBMUJFWSA-N 0 0 447.538 2.882 50 0 IFAARN COc1cccc(N2CCN(C(=O)CCn3nc(-c4ccc(C)cc4)ccc3=O)CC2)c1 ZINC000041252831 526149203 /nfs/dbraw/zinc/14/92/03/526149203.db2.gz PVGPJGZETKHKQC-UHFFFAOYSA-N 0 0 432.524 2.966 50 0 IFAARN COc1cccc(N2C[C@H](C(=O)NCCNC(=O)c3ccc4ccccc4c3)CC2=O)c1 ZINC000020730114 526162647 /nfs/dbraw/zinc/16/26/47/526162647.db2.gz UTFBJTRQSZAUEB-HXUWFJFHSA-N 0 0 431.492 2.748 50 0 IFAARN CSc1ccccc1NC(=O)CN(C)Cc1nc(CNC(=O)c2ccccc2)no1 ZINC000012999838 526167146 /nfs/dbraw/zinc/16/71/46/526167146.db2.gz JIPOLPNEGFWMSM-UHFFFAOYSA-N 0 0 425.514 2.792 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000012919742 526167465 /nfs/dbraw/zinc/16/74/65/526167465.db2.gz LFHFDOVAGXGHRP-AWEZNQCLSA-N 0 0 448.317 2.796 50 0 IFAARN Cc1ccc2c(c1)N=C(CCC(=O)N[C@@H](C)c1ccc3c(c1)OCCO3)NS2(=O)=O ZINC000021661350 526170184 /nfs/dbraw/zinc/17/01/84/526170184.db2.gz RHURJODBHXFRPU-AWEZNQCLSA-N 0 0 429.498 2.746 50 0 IFAARN CSc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012886059 526173079 /nfs/dbraw/zinc/17/30/79/526173079.db2.gz BNLGVSYUTGJJQS-QGZVFWFLSA-N 0 0 433.599 2.883 50 0 IFAARN COc1cccc(NC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@@H]3C2=O)c1 ZINC000035445501 526175553 /nfs/dbraw/zinc/17/55/53/526175553.db2.gz QBYRKCLJTILTOI-HXUWFJFHSA-N 0 0 436.512 2.741 50 0 IFAARN C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000022912568 526178789 /nfs/dbraw/zinc/17/87/89/526178789.db2.gz OKXGEDLHIZMZOB-HNNXBMFYSA-N 0 0 437.569 2.609 50 0 IFAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012770388 526183790 /nfs/dbraw/zinc/18/37/90/526183790.db2.gz JKSCVIWFFKYLLD-YOEHRIQHSA-N 0 0 426.498 2.843 50 0 IFAARN COc1cccc(NC(=O)Cn2nc(SC)c(S(=O)(=O)c3ccccc3)c2N)c1 ZINC000020597832 526184633 /nfs/dbraw/zinc/18/46/33/526184633.db2.gz LBRZEJYVDXVGPK-UHFFFAOYSA-N 0 0 432.527 2.667 50 0 IFAARN C[C@H]1C(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000012633705 526199574 /nfs/dbraw/zinc/19/95/74/526199574.db2.gz KSCVZXBKXLPUNV-HNNXBMFYSA-N 0 0 444.894 2.985 50 0 IFAARN CSc1nc(C(=O)N2CCOc3ccc(CN4CCN(C(C)=O)CC4)cc3C2)cs1 ZINC000020785892 526210544 /nfs/dbraw/zinc/21/05/44/526210544.db2.gz QWOJFYULQDSACL-UHFFFAOYSA-N 0 0 446.598 2.564 50 0 IFAARN Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1CCc1ccccc1 ZINC000022717321 526217539 /nfs/dbraw/zinc/21/75/39/526217539.db2.gz VVFGFJVJYHYISR-UHFFFAOYSA-N 0 0 441.553 2.643 50 0 IFAARN Cc1ccc2c(c1)c1ncn(Cc3nc(C4CC4)no3)c(=O)c1n2CC(=O)N1CCCCC1 ZINC000033281237 526218109 /nfs/dbraw/zinc/21/81/09/526218109.db2.gz LCOULMBQBKQYPE-UHFFFAOYSA-N 0 0 446.511 2.981 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)N3CCN(c4ccccc4F)CC3)c(C)n2n1 ZINC000012563363 526218644 /nfs/dbraw/zinc/21/86/44/526218644.db2.gz NSYBJXSRQPTBBO-UHFFFAOYSA-N 0 0 428.537 2.884 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(O)c1 ZINC000009663320 526236935 /nfs/dbraw/zinc/23/69/35/526236935.db2.gz YARZMKZXJCZKFS-UHFFFAOYSA-N 0 0 446.525 2.979 50 0 IFAARN Cc1ccc2nc(C)cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2c1 ZINC000012775375 526246338 /nfs/dbraw/zinc/24/63/38/526246338.db2.gz LYCCIVWTDITRKN-UHFFFAOYSA-N 0 0 439.537 2.803 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CCC(N)=O)c2ccccc2)cc1 ZINC000012792020 526252937 /nfs/dbraw/zinc/25/29/37/526252937.db2.gz GTAWIQFJGQWPER-KRWDZBQOSA-N 0 0 429.542 2.772 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012929968 526256790 /nfs/dbraw/zinc/25/67/90/526256790.db2.gz RQWXBGHHDXEWOU-KSSFIOAISA-N 0 0 448.416 2.995 50 0 IFAARN Cc1ccc(C)c(C(=O)COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 ZINC000012178917 526258456 /nfs/dbraw/zinc/25/84/56/526258456.db2.gz GLSVKURHYHWYAL-UHFFFAOYSA-N 0 0 440.521 2.890 50 0 IFAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(I)cc1)C2=O ZINC000015978171 526259912 /nfs/dbraw/zinc/25/99/12/526259912.db2.gz QODHINQOORTELR-APPDUMDISA-N 0 0 441.269 2.730 50 0 IFAARN Cc1nn(CC(=O)c2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000012769136 526269330 /nfs/dbraw/zinc/26/93/30/526269330.db2.gz UACKJFXALBIYDS-UHFFFAOYSA-N 0 0 431.470 2.525 50 0 IFAARN O=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000017178833 526274578 /nfs/dbraw/zinc/27/45/78/526274578.db2.gz OHBPELYTYCLOIZ-SFHVURJKSA-N 0 0 446.550 2.721 50 0 IFAARN Cc1nn(CCC(=O)N[C@H]2CCCc3ccccc32)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029033 526278393 /nfs/dbraw/zinc/27/83/93/526278393.db2.gz UIJXERXLRUCCCB-FQEVSTJZSA-N 0 0 430.574 2.868 50 0 IFAARN O=C(C1CCC1)N1CCCc2cc(S(=O)(=O)NCc3ccc4c(c3)OCO4)ccc21 ZINC000033077433 526294793 /nfs/dbraw/zinc/29/47/93/526294793.db2.gz QTYIELRTWIZDAC-UHFFFAOYSA-N 0 0 428.510 2.973 50 0 IFAARN O=C(NCCN1CCOCC1)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000017968176 526320600 /nfs/dbraw/zinc/32/06/00/526320600.db2.gz QUZHSYCBZSWPFH-DZGCQCFKSA-N 0 0 429.468 2.667 50 0 IFAARN O=C(CC1(CC(=O)N2CCOCC2)CCCC1)O[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000012851075 526327882 /nfs/dbraw/zinc/32/78/82/526327882.db2.gz JVRNRNFWKDPHRR-QFIPXVFZSA-N 0 0 428.529 2.749 50 0 IFAARN O=C(NCCOc1ccccc1F)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012914859 526364233 /nfs/dbraw/zinc/36/42/33/526364233.db2.gz FWOJMVJOVOWLQM-UHFFFAOYSA-N 0 0 441.912 2.574 50 0 IFAARN O=C(CCC(=O)N1CCCCC1)N1CCc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000035398923 526378170 /nfs/dbraw/zinc/37/81/70/526378170.db2.gz HEYBLVOOFALNQN-UHFFFAOYSA-N 0 0 447.601 2.933 50 0 IFAARN O=C(CCC(=O)N1CCCCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000035398966 526378212 /nfs/dbraw/zinc/37/82/12/526378212.db2.gz ARZPSENJFSPZNU-UHFFFAOYSA-N 0 0 433.574 2.543 50 0 IFAARN Cc1nnc(SCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)n1-c1ccccc1 ZINC000012638217 526378511 /nfs/dbraw/zinc/37/85/11/526378511.db2.gz NTQVICVMHQYBJI-UHFFFAOYSA-N 0 0 449.580 2.947 50 0 IFAARN O=C(CCC(=O)N1CCCCCC1)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000035399144 526378627 /nfs/dbraw/zinc/37/86/27/526378627.db2.gz YSPKPEZKGLUUDM-UHFFFAOYSA-N 0 0 433.574 2.543 50 0 IFAARN O=C(OCc1cc(=O)n2ccsc2n1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000012846926 526425040 /nfs/dbraw/zinc/42/50/40/526425040.db2.gz JBXYPZIIJOMVSB-UHFFFAOYSA-N 0 0 445.456 2.909 50 0 IFAARN O=C(OCc1ccccc1)C1=C[C@]2(CC(=O)N(c3ccc(Br)cc3)C2=O)NN1 ZINC000012376510 526426826 /nfs/dbraw/zinc/42/68/26/526426826.db2.gz SLRQMCICRXEZAA-HXUWFJFHSA-N 0 0 442.269 2.544 50 0 IFAARN O=C([C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1)N1CCCN(Cc2cccnc2)CC1 ZINC000012319199 526462221 /nfs/dbraw/zinc/46/22/21/526462221.db2.gz SJHDPKXEDJHFMI-JOCHJYFZSA-N 0 0 438.547 2.736 50 0 IFAARN O=C(CCCn1cncn1)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000012209678 526472823 /nfs/dbraw/zinc/47/28/23/526472823.db2.gz GLCPQOLNLSBXCW-UHFFFAOYSA-N 0 0 425.468 2.510 50 0 IFAARN O=C(NCCn1ncc2c1ncnc2N1CCCCCC1)C(=O)c1c[nH]c2ccccc12 ZINC000017200789 526478287 /nfs/dbraw/zinc/47/82/87/526478287.db2.gz BDXIBJQHKCMADF-UHFFFAOYSA-N 0 0 431.500 2.687 50 0 IFAARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000020486029 526491694 /nfs/dbraw/zinc/49/16/94/526491694.db2.gz CDQZWNMPDGLNGK-NRFANRHFSA-N 0 0 444.491 2.712 50 0 IFAARN O=C(NC[C@@H](c1ccsc1)N1CCOCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000022766616 526493703 /nfs/dbraw/zinc/49/37/03/526493703.db2.gz CGEDCKWPAPYANR-INIZCTEOSA-N 0 0 443.447 2.775 50 0 IFAARN O=C(CCNC(=O)c1ccccc1Cl)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000012847648 526506210 /nfs/dbraw/zinc/50/62/10/526506210.db2.gz DXEYQBZYCFYQOP-HXUWFJFHSA-N 0 0 433.911 2.789 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)NCCc1ccc(Cl)cc1 ZINC000020578814 526511453 /nfs/dbraw/zinc/51/14/53/526511453.db2.gz GWNJNPNFCPMNQI-UHFFFAOYSA-N 0 0 449.960 2.642 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)Nc1cccc(Cl)c1 ZINC000021111851 526512471 /nfs/dbraw/zinc/51/24/71/526512471.db2.gz YSEVHLPYCPJUNE-UHFFFAOYSA-N 0 0 447.944 2.946 50 0 IFAARN Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000009665985 526521750 /nfs/dbraw/zinc/52/17/50/526521750.db2.gz QGLRYZCLEGJQHQ-CQSZACIVSA-N 0 0 443.525 2.938 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)Nc1ccc(OC(F)(F)F)cc1 ZINC000020510172 526536987 /nfs/dbraw/zinc/53/69/87/526536987.db2.gz SVRZCAWFSISGIA-UHFFFAOYSA-N 0 0 444.387 2.719 50 0 IFAARN O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2cccs2)CC1 ZINC000022226007 526539140 /nfs/dbraw/zinc/53/91/40/526539140.db2.gz SZQXUAUPWJSLAV-INIZCTEOSA-N 0 0 439.628 2.555 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2N2CCCC2)C1 ZINC000022741437 526549765 /nfs/dbraw/zinc/54/97/65/526549765.db2.gz YOXUAIJEBIFQJU-KRWDZBQOSA-N 0 0 432.546 2.931 50 0 IFAARN O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc(I)c1 ZINC000012758005 526549886 /nfs/dbraw/zinc/54/98/86/526549886.db2.gz GBDKCJHAROARKR-GOSISDBHSA-N 0 0 436.293 2.922 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2ccccc2Br)CC1 ZINC000022318693 526550282 /nfs/dbraw/zinc/55/02/82/526550282.db2.gz KAIGWGUCAJKEGI-UHFFFAOYSA-N 0 0 428.352 2.951 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000016685352 526551347 /nfs/dbraw/zinc/55/13/47/526551347.db2.gz ICVWXZKXPDHVQS-HNNXBMFYSA-N 0 0 447.542 2.526 50 0 IFAARN O=C(CC[C@H]1CCCN(C(=O)COc2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000012578155 526568156 /nfs/dbraw/zinc/56/81/56/526568156.db2.gz VTIRNIYICUEDBU-OAQYLSRUSA-N 0 0 436.556 2.828 50 0 IFAARN O=C(NC[C@H](c1cccnc1)N1CCc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000020486025 526580132 /nfs/dbraw/zinc/58/01/32/526580132.db2.gz CDQZWNMPDGLNGK-OAQYLSRUSA-N 0 0 444.491 2.712 50 0 IFAARN Cc1nc(-c2cccc(N3C[C@H](C(=O)N4CCN(c5ccccc5)CC4)CC3=O)c2)no1 ZINC000021884955 526584065 /nfs/dbraw/zinc/58/40/65/526584065.db2.gz FDYMZPLSBZRNDA-LJQANCHMSA-N 0 0 431.496 2.747 50 0 IFAARN O=C(NC[C@H]1CCCO1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000016650363 526597442 /nfs/dbraw/zinc/59/74/42/526597442.db2.gz QDNLGCJLNBVKQN-MRXNPFEDSA-N 0 0 435.373 2.830 50 0 IFAARN O=C(c1cc(Br)ccc1-n1cnnn1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020729355 526599772 /nfs/dbraw/zinc/59/97/72/526599772.db2.gz XLMQPMBQDMNRTB-UHFFFAOYSA-N 0 0 431.269 2.526 50 0 IFAARN O=C(NCc1ccc(-n2cccn2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000040105159 526648480 /nfs/dbraw/zinc/64/84/80/526648480.db2.gz XZVBOEIIIGIFFR-SFHVURJKSA-N 0 0 442.516 2.729 50 0 IFAARN O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009669766 526655881 /nfs/dbraw/zinc/65/58/81/526655881.db2.gz YGRJEDRAFANYNR-UHFFFAOYSA-N 0 0 436.537 2.508 50 0 IFAARN O=C(c1ccc(Br)o1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013006441 526662639 /nfs/dbraw/zinc/66/26/39/526662639.db2.gz VNGKDSDTGXGFTM-UHFFFAOYSA-N 0 0 433.711 2.842 50 0 IFAARN O=C(CCn1cnc2cc(-c3noc(-c4ccc5c(c4)OCO5)n3)ccc21)N1CCOCC1 ZINC000035460459 526682038 /nfs/dbraw/zinc/68/20/38/526682038.db2.gz IXSNAUFLFPFXGP-UHFFFAOYSA-N 0 0 447.451 2.731 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2c(s1)CCCCC2 ZINC000015093760 526693581 /nfs/dbraw/zinc/69/35/81/526693581.db2.gz PHHPIYVXMXKGJQ-UHFFFAOYSA-N 0 0 434.583 2.968 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc(C(F)(F)F)c1 ZINC000012793822 526693667 /nfs/dbraw/zinc/69/36/67/526693667.db2.gz DDJIAZJDJZABGL-UHFFFAOYSA-N 0 0 434.461 2.718 50 0 IFAARN Cc1nonc1CN(C)C(=O)c1cc(NCCC(C)C)cc(S(=O)(=O)NC(C)C)c1 ZINC000014751891 526701433 /nfs/dbraw/zinc/70/14/33/526701433.db2.gz YMYBCLKRQAHPGV-UHFFFAOYSA-N 0 0 437.566 2.795 50 0 IFAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012736644 526705879 /nfs/dbraw/zinc/70/58/79/526705879.db2.gz AVFUUBBZRNHBBV-SFHVURJKSA-N 0 0 429.473 2.826 50 0 IFAARN O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccc(F)c1 ZINC000021031349 526707335 /nfs/dbraw/zinc/70/73/35/526707335.db2.gz XPQJCNWPHMRNOP-UHFFFAOYSA-N 0 0 431.489 2.528 50 0 IFAARN O=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)N1CCc2ccccc2C1 ZINC000035558907 526708578 /nfs/dbraw/zinc/70/85/78/526708578.db2.gz FFPIGUKRKJJMBR-UHFFFAOYSA-N 0 0 433.508 2.623 50 0 IFAARN O=C(c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012825181 526725811 /nfs/dbraw/zinc/72/58/11/526725811.db2.gz PITGQVNWPUQVPB-UHFFFAOYSA-N 0 0 436.917 2.648 50 0 IFAARN Cc1oc(-c2ccccc2)nc1CN1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000021882392 526739948 /nfs/dbraw/zinc/73/99/48/526739948.db2.gz QNVYBJNVFFUCHV-UHFFFAOYSA-N 0 0 444.491 2.590 50 0 IFAARN O=C(c1cccc(-n2cccc2)c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000012537189 526746305 /nfs/dbraw/zinc/74/63/05/526746305.db2.gz UXCQNHWAPQVNFA-UHFFFAOYSA-N 0 0 431.464 2.902 50 0 IFAARN O=C(NCc1ccccc1F)[C@@H]1CCCN(c2nn3c(nc4c(c3=O)CCCC4)s2)C1 ZINC000021664024 526751419 /nfs/dbraw/zinc/75/14/19/526751419.db2.gz MQJQNKAQNPGSQC-OAHLLOKOSA-N 0 0 441.532 2.702 50 0 IFAARN Cc1oc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000040131262 526758396 /nfs/dbraw/zinc/75/83/96/526758396.db2.gz HKXXULBLMVRKGK-OAHLLOKOSA-N 0 0 443.529 2.786 50 0 IFAARN Cc1oc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000040131031 526761058 /nfs/dbraw/zinc/76/10/58/526761058.db2.gz SGYBDEGRPLDPEP-UHFFFAOYSA-N 0 0 442.497 2.589 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000035414177 526765927 /nfs/dbraw/zinc/76/59/27/526765927.db2.gz ZFCSVSAVBRUHNQ-IBGZPJMESA-N 0 0 439.512 2.562 50 0 IFAARN O=C(CN1CCN(CC(=O)N(Cc2ccccc2F)C2CC2)CC1)Nc1ccc(F)cc1 ZINC000022783365 526767120 /nfs/dbraw/zinc/76/71/20/526767120.db2.gz MZWDYKQIUQKVOK-UHFFFAOYSA-N 0 0 442.510 2.712 50 0 IFAARN O=C(NCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000022381862 526767505 /nfs/dbraw/zinc/76/75/05/526767505.db2.gz PALFEPNNXHMAIQ-KRWDZBQOSA-N 0 0 438.347 2.704 50 0 IFAARN O=C(CN1CCN(Cc2ccc(Br)s2)CC1)Nc1ccc2c(c1)OCO2 ZINC000022790381 526772856 /nfs/dbraw/zinc/77/28/56/526772856.db2.gz YVWIQVKQCXFQPT-UHFFFAOYSA-N 0 0 438.347 2.996 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000035392930 526778106 /nfs/dbraw/zinc/77/81/06/526778106.db2.gz HXEBNADDDLTGLD-UHFFFAOYSA-N 0 0 441.475 2.792 50 0 IFAARN O=C(NCc1ccco1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000035485276 526778420 /nfs/dbraw/zinc/77/84/20/526778420.db2.gz HUIQEZPEAKRUCY-ZEQRLZLVSA-N 0 0 442.519 2.819 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)Nc1ccccc1Cl ZINC000021181620 526778514 /nfs/dbraw/zinc/77/85/14/526778514.db2.gz HLLZEGYFZGIBJM-UHFFFAOYSA-N 0 0 429.876 2.563 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1Cl ZINC000035413709 526778901 /nfs/dbraw/zinc/77/89/01/526778901.db2.gz QRWFUTATQOEMLB-UHFFFAOYSA-N 0 0 428.341 2.938 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000012888228 526779866 /nfs/dbraw/zinc/77/98/66/526779866.db2.gz VKUASLQPFNVVMI-NFBKMPQASA-N 0 0 445.629 2.663 50 0 IFAARN O=C(c1cccc2ccccc21)N1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000016699078 526786080 /nfs/dbraw/zinc/78/60/80/526786080.db2.gz KEWTZVCRCNGCSZ-UHFFFAOYSA-N 0 0 429.524 2.831 50 0 IFAARN O=C(CN1CCSc2ccc(S(=O)(=O)N3CCCC3)cc21)NCc1ccccc1 ZINC000021094244 526798602 /nfs/dbraw/zinc/79/86/02/526798602.db2.gz JKSFSYKNZPFVFU-UHFFFAOYSA-N 0 0 431.583 2.700 50 0 IFAARN O=C(c1ccccc1F)N1CCN(c2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000021884362 526805647 /nfs/dbraw/zinc/80/56/47/526805647.db2.gz CRLUXPFISWFKTJ-UHFFFAOYSA-N 0 0 435.484 2.920 50 0 IFAARN O=C(c1ccccc1OC(F)F)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000012741504 526810285 /nfs/dbraw/zinc/81/02/85/526810285.db2.gz CCTMSFPYWSQANY-UHFFFAOYSA-N 0 0 427.407 2.728 50 0 IFAARN O=C(c1ccco1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1 ZINC000041077464 526831361 /nfs/dbraw/zinc/83/13/61/526831361.db2.gz WIOULJKOTADXDD-UHFFFAOYSA-N 0 0 439.472 2.508 50 0 IFAARN O=C(c1ccncc1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@H]1CCCO1 ZINC000020992254 526850247 /nfs/dbraw/zinc/85/02/47/526850247.db2.gz VDEHFFDMBHVKJN-HSZRJFAPSA-N 0 0 425.529 2.614 50 0 IFAARN O=C(c1ccoc1)N1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1 ZINC000035557703 526856044 /nfs/dbraw/zinc/85/60/44/526856044.db2.gz HIFPIIPZKAXCJR-UHFFFAOYSA-N 0 0 448.526 2.805 50 0 IFAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000012601029 526857524 /nfs/dbraw/zinc/85/75/24/526857524.db2.gz IMDAPDVSPXXJPP-UHFFFAOYSA-N 0 0 433.468 2.769 50 0 IFAARN NC(=O)CCN(C(=O)COC(=O)c1ccc(Br)s1)c1ccc(F)cc1 ZINC000016810966 526867755 /nfs/dbraw/zinc/86/77/55/526867755.db2.gz AYDMTQZPMBLOCY-UHFFFAOYSA-N 0 0 429.267 2.715 50 0 IFAARN O=C(c1cn[nH]c1)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 ZINC000014747352 526868557 /nfs/dbraw/zinc/86/85/57/526868557.db2.gz NUXQZJZGQITZEY-QFIPXVFZSA-N 0 0 436.487 2.661 50 0 IFAARN O=C(CNc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012926855 526894474 /nfs/dbraw/zinc/89/44/74/526894474.db2.gz GLMSPPUFKJNOQY-UHFFFAOYSA-N 0 0 427.501 2.924 50 0 IFAARN O=C(COC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCc1ccco1 ZINC000021971255 526908642 /nfs/dbraw/zinc/90/86/42/526908642.db2.gz KISYJVGBKAEWHH-UHFFFAOYSA-N 0 0 446.456 2.622 50 0 IFAARN O=C(COC(=O)Cc1ccc(OC(F)F)cc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000021912133 526909180 /nfs/dbraw/zinc/90/91/80/526909180.db2.gz FPIWNMRDKVNFEM-UHFFFAOYSA-N 0 0 434.439 2.845 50 0 IFAARN O=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)NC1CC1 ZINC000033402116 526909355 /nfs/dbraw/zinc/90/93/55/526909355.db2.gz VZLBJLFDDXFMDY-HXUWFJFHSA-N 0 0 439.899 2.984 50 0 IFAARN Cc1nc(COc2cccc(C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)c2)cs1 ZINC000024359818 526909479 /nfs/dbraw/zinc/90/94/79/526909479.db2.gz QFPYQOXBRGDGEH-UHFFFAOYSA-N 0 0 448.522 2.914 50 0 IFAARN O=C(COC(=O)c1ccc(-n2cnnn2)cc1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000021335869 526913298 /nfs/dbraw/zinc/91/32/98/526913298.db2.gz WLNLGSSACBGKGC-NRFANRHFSA-N 0 0 441.447 2.986 50 0 IFAARN O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(Cc2ccccc2)CC1 ZINC000020925468 526939174 /nfs/dbraw/zinc/93/91/74/526939174.db2.gz IBBXYIDMSQYKQW-UHFFFAOYSA-N 0 0 435.480 2.931 50 0 IFAARN Cc1nc(N2CCC(C(=O)N3CCCC[C@H]3C)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000011872528 526962843 /nfs/dbraw/zinc/96/28/43/526962843.db2.gz DIXKPOJXOYXIKK-OAHLLOKOSA-N 0 0 430.574 2.959 50 0 IFAARN NC(=O)[C@@H]1CCCN1c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000022225570 526968773 /nfs/dbraw/zinc/96/87/73/526968773.db2.gz MZNWNUCEQVIGQY-AWEZNQCLSA-N 0 0 429.571 2.706 50 0 IFAARN O=C(N[C@H]1CCCCNC1=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000020996007 527021191 /nfs/dbraw/zinc/02/11/91/527021191.db2.gz HWSLVRBDUBENGI-NRFANRHFSA-N 0 0 433.556 2.634 50 0 IFAARN O=C(CSCc1ccccc1)Nc1c2c(nn1CC(=O)NC[C@@H]1CCCO1)CSC2 ZINC000023139244 527025193 /nfs/dbraw/zinc/02/51/93/527025193.db2.gz YYTMDAFIBRTGGH-INIZCTEOSA-N 0 0 446.598 2.797 50 0 IFAARN Cn1c(CN2CCN(C(=O)c3cccs3)CC2)nc2cc(C(=O)N3CCCC3)ccc21 ZINC000033121711 527055543 /nfs/dbraw/zinc/05/55/43/527055543.db2.gz BCPHJELBZJDRAC-UHFFFAOYSA-N 0 0 437.569 2.829 50 0 IFAARN Cn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000020677457 527055984 /nfs/dbraw/zinc/05/59/84/527055984.db2.gz QJPAXWVAGVPJBF-UHFFFAOYSA-N 0 0 433.468 2.970 50 0 IFAARN NC(=O)c1ccc(NC(=O)CSCc2cc(=O)n3c(n2)sc2c3CCCC2)cc1 ZINC000012795350 527060238 /nfs/dbraw/zinc/06/02/38/527060238.db2.gz WOBSAHRCVPWOLR-UHFFFAOYSA-N 0 0 428.539 2.606 50 0 IFAARN O=C1NC2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)N=C1c1ccc(F)cc1 ZINC000035432518 527060351 /nfs/dbraw/zinc/06/03/51/527060351.db2.gz DBDDJUNKPIQRLH-UHFFFAOYSA-N 0 0 439.871 2.718 50 0 IFAARN O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000012855496 527087640 /nfs/dbraw/zinc/08/76/40/527087640.db2.gz RVRPFCIZAQLDHU-RBZFPXEDSA-N 0 0 437.279 2.963 50 0 IFAARN Cc1nc2c(C(=O)NCCN3CCOCC3)cnn2c(C)c1Cc1cccc(Cl)c1 ZINC000020678081 527092688 /nfs/dbraw/zinc/09/26/88/527092688.db2.gz MLNXJUSKKBULLT-UHFFFAOYSA-N 0 0 427.936 2.652 50 0 IFAARN O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc(N2CCOCC2)cc1 ZINC000012609805 527093945 /nfs/dbraw/zinc/09/39/45/527093945.db2.gz PRDWZMUOAXQLEH-UHFFFAOYSA-N 0 0 430.921 2.883 50 0 IFAARN O=C1S/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1CN1CCOCC1 ZINC000016383114 527102249 /nfs/dbraw/zinc/10/22/49/527102249.db2.gz KELVSNIHTVIQCT-MKMNVTDBSA-N 0 0 427.276 2.504 50 0 IFAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012792237 527120206 /nfs/dbraw/zinc/12/02/06/527120206.db2.gz OAJPLYOBWGGOEC-UHFFFAOYSA-N 0 0 431.464 2.968 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)[C@@H]1CC=CCC1 ZINC000012527497 527130594 /nfs/dbraw/zinc/13/05/94/527130594.db2.gz HZCVPYIQEHQNGX-QZTJIDSGSA-N 0 0 449.573 2.593 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cccc(C(F)(F)F)c1 ZINC000012560824 527130697 /nfs/dbraw/zinc/13/06/97/527130697.db2.gz SWUVLBKPLSRWJC-UHFFFAOYSA-N 0 0 430.404 2.684 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCC1CCOCC1 ZINC000012464323 527153259 /nfs/dbraw/zinc/15/32/59/527153259.db2.gz LPJCSIRTPSVUDE-QHCPKHFHSA-N 0 0 437.540 2.712 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1cn2ccsc2n1 ZINC000012306264 527153771 /nfs/dbraw/zinc/15/37/71/527153771.db2.gz KEVHCAUOBYTBRX-FQEVSTJZSA-N 0 0 433.537 2.556 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012534924 527169073 /nfs/dbraw/zinc/16/90/73/527169073.db2.gz BJXMLTMPCDRJNH-UHFFFAOYSA-N 0 0 440.569 2.878 50 0 IFAARN O=S(=O)(Cc1ccccc1)NCc1cccc(CNS(=O)(=O)Cc2ccccc2)c1 ZINC000012805654 527196984 /nfs/dbraw/zinc/19/69/84/527196984.db2.gz QOYKKXXKJAKFEK-UHFFFAOYSA-N 0 0 444.578 2.926 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000024663194 527198235 /nfs/dbraw/zinc/19/82/35/527198235.db2.gz QWYFJYIGPLBGQS-CYBMUJFWSA-N 0 0 435.406 2.601 50 0 IFAARN O=S(=O)(NC1CCC(NS(=O)(=O)c2cccc(F)c2)CC1)c1cccc(F)c1 ZINC000012787654 527208224 /nfs/dbraw/zinc/20/82/24/527208224.db2.gz HDTSMLVPYPFAIV-UHFFFAOYSA-N 0 0 430.498 2.533 50 0 IFAARN O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000012560982 527250548 /nfs/dbraw/zinc/25/05/48/527250548.db2.gz ISZQKCZZUWPUGK-UHFFFAOYSA-N 0 0 436.433 2.827 50 0 IFAARN O=S(=O)(c1c(F)cccc1F)N1CCN(Cn2nc(-c3ccco3)oc2=S)CC1 ZINC000022310491 527264525 /nfs/dbraw/zinc/26/45/25/527264525.db2.gz YKQXZJOOYYHLJD-UHFFFAOYSA-N 0 0 442.469 2.708 50 0 IFAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000012907845 527282111 /nfs/dbraw/zinc/28/21/11/527282111.db2.gz ZSJZFFLENJHPHY-UHFFFAOYSA-N 0 0 447.516 2.631 50 0 IFAARN O=S(=O)(c1cccc(Br)c1)N1CCN(C(=S)NC2CCCCC2)CC1 ZINC000012589604 527282765 /nfs/dbraw/zinc/28/27/65/527282765.db2.gz QCZXDNSISUXKOK-UHFFFAOYSA-N 0 0 446.436 2.963 50 0 IFAARN O=C(Nc1ccc2c(c1)OCO2)c1c(-c2ccc(Cl)cc2)nc2n1CCS2(=O)=O ZINC000035477056 527290821 /nfs/dbraw/zinc/29/08/21/527290821.db2.gz DQQJTPYXIRMZCB-UHFFFAOYSA-N 0 0 431.857 2.972 50 0 IFAARN NS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccccc2Br)c1 ZINC000021463032 527314004 /nfs/dbraw/zinc/31/40/04/527314004.db2.gz NRCVYWWPBHNBHZ-UHFFFAOYSA-N 0 0 432.679 2.790 50 0 IFAARN O=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000012599968 527350011 /nfs/dbraw/zinc/35/00/11/527350011.db2.gz KFBFQZZUMHIKMM-NRFANRHFSA-N 0 0 439.443 2.676 50 0 IFAARN O=C(Nc1cccc(F)c1)[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 ZINC000012389510 527352059 /nfs/dbraw/zinc/35/20/59/527352059.db2.gz PLFVQBVJARERDS-KRWDZBQOSA-N 0 0 433.443 2.536 50 0 IFAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCS[C@@H]1c1ccccc1F ZINC000012617679 527398531 /nfs/dbraw/zinc/39/85/31/527398531.db2.gz OXMKGRITRZTHMO-JOCHJYFZSA-N 0 0 435.484 2.996 50 0 IFAARN O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc(-n2cnnn2)c1 ZINC000012687665 527410879 /nfs/dbraw/zinc/41/08/79/527410879.db2.gz NFBRFDCRZPOJDI-UHFFFAOYSA-N 0 0 428.408 2.896 50 0 IFAARN O=C(N1CCC2(CC1)OCCO2)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000020679641 527437020 /nfs/dbraw/zinc/43/70/20/527437020.db2.gz FFXRRQNEAUDMDI-JOCHJYFZSA-N 0 0 443.887 2.903 50 0 IFAARN O=C(N1CCC2(CC1)OCCO2)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000020679637 527437198 /nfs/dbraw/zinc/43/71/98/527437198.db2.gz FFXRRQNEAUDMDI-QFIPXVFZSA-N 0 0 443.887 2.903 50 0 IFAARN O=c1[nH]c2ccccc2n1C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 ZINC000012686911 527444546 /nfs/dbraw/zinc/44/45/46/527444546.db2.gz IIYDOLJMRMIKGZ-UHFFFAOYSA-N 0 0 441.557 2.741 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)cc1 ZINC000012507110 527450243 /nfs/dbraw/zinc/45/02/43/527450243.db2.gz JNCOANOQIMQYII-SFHVURJKSA-N 0 0 443.935 2.924 50 0 IFAARN Nc1cc(OC(=O)c2ccc(F)cc2)nn1S(=O)(=O)c1ccc(Br)cc1 ZINC000017155680 527458985 /nfs/dbraw/zinc/45/89/85/527458985.db2.gz ROFZRJOZVSPZAG-UHFFFAOYSA-N 0 0 440.250 2.823 50 0 IFAARN Nc1cc(OC(=O)c2ccccc2Br)nn1S(=O)(=O)c1ccc(F)cc1 ZINC000017170929 527459301 /nfs/dbraw/zinc/45/93/01/527459301.db2.gz BFNYWGNDZVLBKY-UHFFFAOYSA-N 0 0 440.250 2.823 50 0 IFAARN O=c1cc(CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)nc2sccn21 ZINC000022848938 527477868 /nfs/dbraw/zinc/47/78/68/527477868.db2.gz SPXFUBDCVUNZGI-UHFFFAOYSA-N 0 0 442.932 2.777 50 0 IFAARN O=c1cc(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c2ccc(O)cc2o1 ZINC000021849519 527478302 /nfs/dbraw/zinc/47/83/02/527478302.db2.gz DHBBYJWBUBIBNF-MDWZMJQESA-N 0 0 426.494 2.617 50 0 IFAARN O=C(NC1CC1)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012806509 527495895 /nfs/dbraw/zinc/49/58/95/527495895.db2.gz FBSDJVUDUSCEKI-LJQANCHMSA-N 0 0 431.489 2.510 50 0 IFAARN O=C(NC1CC1)c1cn(C2CCCCC2)cc(C(=O)N(CCO)Cc2ccccc2)c1=O ZINC000012161613 527496673 /nfs/dbraw/zinc/49/66/73/527496673.db2.gz RHOLGFOSWNDMPW-UHFFFAOYSA-N 0 0 437.540 2.880 50 0 IFAARN O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1 ZINC000020577006 527512182 /nfs/dbraw/zinc/51/21/82/527512182.db2.gz IWNJRTZHLKXLQG-UHFFFAOYSA-N 0 0 437.587 2.580 50 0 IFAARN O=C(NC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1 ZINC000021532358 527515547 /nfs/dbraw/zinc/51/55/47/527515547.db2.gz MCCYMKAHYJCZNE-QGZVFWFLSA-N 0 0 433.574 2.811 50 0 IFAARN O=C(Nc1ncccc1O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000022263528 527521323 /nfs/dbraw/zinc/52/13/23/527521323.db2.gz UPYJMQFACNVAMQ-UHFFFAOYSA-N 0 0 438.509 2.550 50 0 IFAARN O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1cccc(Br)c1 ZINC000015941968 527534363 /nfs/dbraw/zinc/53/43/63/527534363.db2.gz JCOQBTBWSPWIDT-UHFFFAOYSA-N 0 0 431.337 2.728 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1CN1CCN(CN2c3ccccc3C(=O)C2=O)CC1 ZINC000020528503 527542033 /nfs/dbraw/zinc/54/20/33/527542033.db2.gz WPRAQVZSBSLNFA-UHFFFAOYSA-N 0 0 429.524 2.794 50 0 IFAARN Cn1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c1-c1ccsc1CC2 ZINC000020993111 527542251 /nfs/dbraw/zinc/54/22/51/527542251.db2.gz BNTLWQNCLSFCIK-UHFFFAOYSA-N 0 0 436.537 2.934 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022797488 527543878 /nfs/dbraw/zinc/54/38/78/527543878.db2.gz ABTMMORMAWHMLO-UHFFFAOYSA-N 0 0 447.539 2.974 50 0 IFAARN Cn1nc(C(=O)NC[C@@H]2Cc3cc(-c4ccccn4)cc(F)c3O2)c2ccccc2c1=O ZINC000011912456 527544637 /nfs/dbraw/zinc/54/46/37/527544637.db2.gz WUAICOVGIZUOHJ-INIZCTEOSA-N 0 0 430.439 2.868 50 0 IFAARN Cn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000035482147 527544653 /nfs/dbraw/zinc/54/46/53/527544653.db2.gz IHLMCPUVMLUGGC-UHFFFAOYSA-N 0 0 444.944 2.751 50 0 IFAARN Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000020674137 527556147 /nfs/dbraw/zinc/55/61/47/527556147.db2.gz WYAOJYGAEOQBMD-SNVBAGLBSA-N 0 0 437.287 2.916 50 0 IFAARN Cc1nn(-c2ccccc2)nc1C(=O)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000012901617 527564312 /nfs/dbraw/zinc/56/43/12/527564312.db2.gz REDZIAZDMHQATC-UHFFFAOYSA-N 0 0 435.513 2.645 50 0 IFAARN Cn1ncc2c1nc(N1CCN(C(=O)c3ccco3)CC1)nc2NCc1ccc(F)cc1 ZINC000021930034 527581671 /nfs/dbraw/zinc/58/16/71/527581671.db2.gz LXNHRCRMPBVTEA-UHFFFAOYSA-N 0 0 435.463 2.670 50 0 IFAARN Nn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc(Cc2ccccc2)c1=O ZINC000012348148 527583931 /nfs/dbraw/zinc/58/39/31/527583931.db2.gz USBABAKTNOIGEH-UHFFFAOYSA-N 0 0 436.324 2.981 50 0 IFAARN Cn1ncc2c1ncn(CC(=O)N[C@H](c1cccs1)c1ccc3c(c1)CCCC3)c2=O ZINC000021437369 527584919 /nfs/dbraw/zinc/58/49/19/527584919.db2.gz DACRMDPKPZAKAE-NRFANRHFSA-N 0 0 433.537 2.976 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035426175 527590183 /nfs/dbraw/zinc/59/01/83/527590183.db2.gz SSBQQDUYCVYHQA-UHFFFAOYSA-N 0 0 429.546 2.709 50 0 IFAARN O=C(/C=C/c1ccc(Br)o1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012781425 527606756 /nfs/dbraw/zinc/60/67/56/527606756.db2.gz NCBHZQQEXMXNQX-JKNJVXJCSA-N 0 0 447.285 2.566 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000020509984 527672355 /nfs/dbraw/zinc/67/23/55/527672355.db2.gz ZLKUCZBZKHGTJH-SJLPKXTDSA-N 0 0 437.466 2.996 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000020509978 527672432 /nfs/dbraw/zinc/67/24/32/527672432.db2.gz ZLKUCZBZKHGTJH-FUHWJXTLSA-N 0 0 437.466 2.996 50 0 IFAARN Cc1nn(CC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c(=O)c2ccccc12 ZINC000021302833 527701770 /nfs/dbraw/zinc/70/17/70/527701770.db2.gz SMZYRHWYGGNJCW-UHFFFAOYSA-N 0 0 440.931 2.582 50 0 IFAARN CCCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O ZINC000009519291 535147510 /nfs/dbraw/zinc/14/75/10/535147510.db2.gz CPDNGUTYTUIEJF-OAHLLOKOSA-N 0 0 441.532 2.892 50 0 IFAARN CCN1C(=O)N(CC)C(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O ZINC000009242910 535435557 /nfs/dbraw/zinc/43/55/57/535435557.db2.gz YRGCFURCLPFIRD-NRFANRHFSA-N 0 0 432.524 2.755 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(Cl)cc2)[C@](C)(C(=O)NC2CCCCC2)C1 ZINC000008590646 535656506 /nfs/dbraw/zinc/65/65/06/535656506.db2.gz WWRYJGGYWRYCFF-FQEVSTJZSA-N 0 0 441.981 2.546 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2cccc(C)c2C)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000008590663 535656631 /nfs/dbraw/zinc/65/66/31/535656631.db2.gz KZZXPIXRWLFJRK-JOCHJYFZSA-N 0 0 435.590 2.509 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CCC(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)CC1 ZINC000002960602 535769286 /nfs/dbraw/zinc/76/92/86/535769286.db2.gz PJQLUALDNIQNCZ-AWEZNQCLSA-N 0 0 437.924 2.971 50 0 IFAARN CNC(=O)[C@H]1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c2ccccc2O1 ZINC000009884801 536399278 /nfs/dbraw/zinc/39/92/78/536399278.db2.gz UWHMMZKHRJIQGL-JOCHJYFZSA-N 0 0 444.491 2.891 50 0 IFAARN COc1ccc(-c2noc(N(C)CC(=O)N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000008912509 536541961 /nfs/dbraw/zinc/54/19/61/536541961.db2.gz UUNREVFRSSSPHZ-UHFFFAOYSA-N 0 0 425.464 2.669 50 0 IFAARN COC(=O)c1cc(NC(=S)Nc2ccc(N3CCOCC3)cc2)cc(C(=O)OC)c1 ZINC000002213348 536563921 /nfs/dbraw/zinc/56/39/21/536563921.db2.gz CLHXPJJSKRUANV-UHFFFAOYSA-N 0 0 429.498 2.905 50 0 IFAARN COCCCNC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O ZINC000011121059 536570501 /nfs/dbraw/zinc/57/05/01/536570501.db2.gz SCHBQSBXJUOMTC-UHFFFAOYSA-N 0 0 439.331 2.778 50 0 IFAARN COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 ZINC000009192995 536674492 /nfs/dbraw/zinc/67/44/92/536674492.db2.gz BTWKUGRHANVAOO-UHFFFAOYSA-N 0 0 431.496 2.804 50 0 IFAARN COc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)CC2=O)cc1 ZINC000009519963 536707993 /nfs/dbraw/zinc/70/79/93/536707993.db2.gz PAKZIIQSNBKKHO-IBGZPJMESA-N 0 0 436.512 2.535 50 0 IFAARN COc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCC(C)C)c4=O)c(OC)c1 ZINC000009519294 536708293 /nfs/dbraw/zinc/70/82/93/536708293.db2.gz CKARQEZBZAONMU-OAHLLOKOSA-N 0 0 441.532 2.748 50 0 IFAARN COc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)CC2=O)cc1 ZINC000009519962 536714491 /nfs/dbraw/zinc/71/44/91/536714491.db2.gz PAKZIIQSNBKKHO-LJQANCHMSA-N 0 0 436.512 2.535 50 0 IFAARN COc1ccccc1N1CCCn2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C ZINC000006444378 537062853 /nfs/dbraw/zinc/06/28/53/537062853.db2.gz HIAUGOYXJCXGMB-UHFFFAOYSA-N 0 0 435.459 2.635 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000013153366 537064264 /nfs/dbraw/zinc/06/42/64/537064264.db2.gz QDQCYCXPYAWBHJ-UHFFFAOYSA-N 0 0 429.476 2.793 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000009783180 537064589 /nfs/dbraw/zinc/06/45/89/537064589.db2.gz HJOLHYWIQAKNDT-FQEVSTJZSA-N 0 0 437.540 2.952 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000000625764 555512590 /nfs/dbraw/zinc/51/25/90/555512590.db2.gz KWWOHFKDLUFRGW-PHJXOXRPSA-N 0 0 434.517 2.807 50 0 IFAARN COc1cc(/C=c2/sc3nc(-c4ccccc4Cl)nn3c2=O)ccc1OC(C)=O ZINC000000628982 555514083 /nfs/dbraw/zinc/51/40/83/555514083.db2.gz UIDVGXJTHBTFSX-LICLKQGHSA-N 0 0 427.869 2.953 50 0 IFAARN COc1ccccc1NC(=O)Cn1cnc2ccc(I)cc2c1=O ZINC000000638850 555517528 /nfs/dbraw/zinc/51/75/28/555517528.db2.gz ZKNYPZSJTQUIQB-UHFFFAOYSA-N 0 0 435.221 2.648 50 0 IFAARN COc1ccc([C@H]2Sc3ccccc3NC(=O)[C@H]2OC(=O)CN2CCN(C)CC2)cc1 ZINC000000638697 555517552 /nfs/dbraw/zinc/51/75/52/555517552.db2.gz OZMYBGOTPNDMQV-FCHUYYIVSA-N 0 0 441.553 2.640 50 0 IFAARN COc1ccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c(OC)c1 ZINC000000652928 555523473 /nfs/dbraw/zinc/52/34/73/555523473.db2.gz BQHVNWGIILCATN-UHFFFAOYSA-N 0 0 428.894 2.771 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccccc1 ZINC000000653883 555524134 /nfs/dbraw/zinc/52/41/34/555524134.db2.gz SZYMFEIEAJIWLW-XGHXRCDJSA-N 0 0 440.908 2.767 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2cccc(Cl)c2)cc1 ZINC000000665426 555528373 /nfs/dbraw/zinc/52/83/73/555528373.db2.gz VZENMPRBGKWMQL-GOSISDBHSA-N 0 0 438.933 2.839 50 0 IFAARN COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)c1 ZINC000000666443 555528651 /nfs/dbraw/zinc/52/86/51/555528651.db2.gz RQUFUBVNHMYLQZ-FQEVSTJZSA-N 0 0 426.425 2.804 50 0 IFAARN COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl ZINC000000667290 555529216 /nfs/dbraw/zinc/52/92/16/555529216.db2.gz OFHXTNSWQOYDBG-UHFFFAOYSA-N 0 0 440.949 2.978 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCc1ccncc1 ZINC000000667311 555529218 /nfs/dbraw/zinc/52/92/18/555529218.db2.gz CRDMZXONIVFVCZ-UHFFFAOYSA-N 0 0 445.928 2.909 50 0 IFAARN CCOc1cc(/C=C2\N=C(C)OC2=O)cc(I)c1OCC(=O)OC ZINC000000679190 555536603 /nfs/dbraw/zinc/53/66/03/555536603.db2.gz IAXUIXORZZSXBE-SDQBBNPISA-N 0 0 445.209 2.558 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)c1 ZINC000009337356 555557738 /nfs/dbraw/zinc/55/77/38/555557738.db2.gz IBCSASSREPMJKF-UHFFFAOYSA-N 0 0 431.558 2.652 50 0 IFAARN CS(=O)(=O)c1ccc2nc(N(Cc3cccnc3)C(=O)C3=COCCO3)sc2c1 ZINC000010528975 555566316 /nfs/dbraw/zinc/56/63/16/555566316.db2.gz LJQWMEKSSZVWCM-UHFFFAOYSA-N 0 0 431.495 2.516 50 0 IFAARN CCOc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000858000 555571664 /nfs/dbraw/zinc/57/16/64/555571664.db2.gz KJRZHUIDHAMSIB-UHFFFAOYSA-N 0 0 438.933 2.793 50 0 IFAARN O=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000000862377 555572714 /nfs/dbraw/zinc/57/27/14/555572714.db2.gz XLXPPTFPXBTELA-UHFFFAOYSA-N 0 0 431.297 2.972 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccccc1 ZINC000000861855 555572721 /nfs/dbraw/zinc/57/27/21/555572721.db2.gz OSQZKPQOLBSKTH-JCAJYURWSA-N 0 0 448.500 2.527 50 0 IFAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCOCC4)c3n2)cc1OC ZINC000000862876 555572912 /nfs/dbraw/zinc/57/29/12/555572912.db2.gz BQTRPBCROYMYDD-UHFFFAOYSA-N 0 0 436.390 2.905 50 0 IFAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)N(Cc2ccc3c(c2)OCO3)C1=S ZINC000000868473 555574629 /nfs/dbraw/zinc/57/46/29/555574629.db2.gz LWCXHMDYZMMVSV-QGZVFWFLSA-N 0 0 441.509 2.770 50 0 IFAARN COc1cc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000000893000 555579923 /nfs/dbraw/zinc/57/99/23/555579923.db2.gz QIXDXOOPXMVAKN-UHFFFAOYSA-N 0 0 448.903 2.729 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000000900049 555580857 /nfs/dbraw/zinc/58/08/57/555580857.db2.gz LVRSWTYXQJUNDL-UHFFFAOYSA-N 0 0 437.521 2.945 50 0 IFAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000917525 555583729 /nfs/dbraw/zinc/58/37/29/555583729.db2.gz ONLSCPIDRJIZEV-UHFFFAOYSA-N 0 0 427.482 2.923 50 0 IFAARN CCOc1ccc(-c2nc3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n3n2)cc1 ZINC000000956007 555590417 /nfs/dbraw/zinc/59/04/17/555590417.db2.gz ZYJOWTLFRXQDCW-PDGQHHTCSA-N 0 0 439.493 2.790 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(COc3ccccc3F)n2N)c1C ZINC000009594834 555592667 /nfs/dbraw/zinc/59/26/67/555592667.db2.gz WBLZYMJWCMBSKT-UHFFFAOYSA-N 0 0 447.492 2.807 50 0 IFAARN CCOC(=O)NC(=O)c1cn(Cc2cccs2)c(=O)n(Cc2ccc(Cl)cc2)c1=O ZINC000001039294 555609363 /nfs/dbraw/zinc/60/93/63/555609363.db2.gz DKBDGGMHZUVMDA-UHFFFAOYSA-N 0 0 447.900 2.708 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)C[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000001042339 555610011 /nfs/dbraw/zinc/61/00/11/555610011.db2.gz ULGYLOTYRRLCBJ-ZDUSSCGKSA-N 0 0 431.304 2.680 50 0 IFAARN CCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cs1 ZINC000001053561 555614293 /nfs/dbraw/zinc/61/42/93/555614293.db2.gz AUPAVEPAGKAKTA-UHFFFAOYSA-N 0 0 438.571 2.865 50 0 IFAARN CC1CCN(C(=O)CSc2nnnn2-c2ccc(I)cc2)CC1 ZINC000001057628 555614863 /nfs/dbraw/zinc/61/48/63/555614863.db2.gz TUKNTNDOAUCBDM-UHFFFAOYSA-N 0 0 443.314 2.618 50 0 IFAARN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2c1C ZINC000001064016 555617278 /nfs/dbraw/zinc/61/72/78/555617278.db2.gz PMOFAUWBZPTDIJ-UHFFFAOYSA-N 0 0 443.481 2.909 50 0 IFAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000001064857 555617873 /nfs/dbraw/zinc/61/78/73/555617873.db2.gz NSBOKWVHXUMWMS-HNNXBMFYSA-N 0 0 445.541 2.822 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)C1CCCCC1 ZINC000001109196 555630464 /nfs/dbraw/zinc/63/04/64/555630464.db2.gz ATRHNSNURDVPDL-UHFFFAOYSA-N 0 0 436.315 2.824 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC000001112509 555632420 /nfs/dbraw/zinc/63/24/20/555632420.db2.gz RHAATXBJMPVOBQ-UHFFFAOYSA-N 0 0 425.532 2.523 50 0 IFAARN Cc1ccc(S(=O)(=O)NC(C)(C)CSc2nncn2NC(=O)c2ccccc2)cc1 ZINC000001115411 555634271 /nfs/dbraw/zinc/63/42/71/555634271.db2.gz VCZTZEJSWODAOF-UHFFFAOYSA-N 0 0 445.570 2.820 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001123693 555639364 /nfs/dbraw/zinc/63/93/64/555639364.db2.gz XQVXENIODSGHEK-UHFFFAOYSA-N 0 0 425.535 2.979 50 0 IFAARN COC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1 ZINC000001125403 555640546 /nfs/dbraw/zinc/64/05/46/555640546.db2.gz JUAYANHDMVOVCJ-UHFFFAOYSA-N 0 0 429.432 2.846 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1ccccc1)c1ccccn1 ZINC000001128556 555642728 /nfs/dbraw/zinc/64/27/28/555642728.db2.gz XEPRICLMQFTMDI-UHFFFAOYSA-N 0 0 437.521 2.950 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000001132783 555645473 /nfs/dbraw/zinc/64/54/73/555645473.db2.gz MBEIPGGCAQMIGP-UHFFFAOYSA-N 0 0 435.457 2.859 50 0 IFAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000001133198 555645778 /nfs/dbraw/zinc/64/57/78/555645778.db2.gz IPQUPNAASOMRAQ-QGZVFWFLSA-N 0 0 443.525 2.669 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)Cc1ccccc1 ZINC000001143195 555651170 /nfs/dbraw/zinc/65/11/70/555651170.db2.gz JBEMRHPJEKBTBO-UHFFFAOYSA-N 0 0 444.294 2.692 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000001145328 555652905 /nfs/dbraw/zinc/65/29/05/555652905.db2.gz GTVIZSWXEPEACN-UHFFFAOYSA-N 0 0 445.472 2.753 50 0 IFAARN CC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000001163200 555663025 /nfs/dbraw/zinc/66/30/25/555663025.db2.gz ALLLYYZCYLBYBJ-UHFFFAOYSA-N 0 0 425.304 2.911 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000001164956 555663547 /nfs/dbraw/zinc/66/35/47/555663547.db2.gz FSHVGISQNKRJLQ-UHFFFAOYSA-N 0 0 443.411 2.928 50 0 IFAARN O=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000001164257 555663593 /nfs/dbraw/zinc/66/35/93/555663593.db2.gz BVLYBXYSWHOOCP-UHFFFAOYSA-N 0 0 431.297 2.972 50 0 IFAARN O=C(NC1CCCCC1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000001230477 555686609 /nfs/dbraw/zinc/68/66/09/555686609.db2.gz OJYZBLTWTDDDOO-UHFFFAOYSA-N 0 0 431.352 2.533 50 0 IFAARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000009796463 555692987 /nfs/dbraw/zinc/69/29/87/555692987.db2.gz MLBDWKQWUGDDSR-VOTSOKGWSA-N 0 0 446.569 2.513 50 0 IFAARN Cn1c2nc(NCCc3ccc(F)cc3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000001409293 555694058 /nfs/dbraw/zinc/69/40/58/555694058.db2.gz XKLDGJZYUINLFV-UHFFFAOYSA-N 0 0 441.894 2.929 50 0 IFAARN Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](c4ccccc4)CC3=O)c2)s1 ZINC000001440670 555697392 /nfs/dbraw/zinc/69/73/92/555697392.db2.gz BLBCWLFMTHLIPJ-MRXNPFEDSA-N 0 0 442.522 2.804 50 0 IFAARN COC(=O)CN1C(=S)N(c2cccc(Cl)c2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 ZINC000001440157 555697447 /nfs/dbraw/zinc/69/74/47/555697447.db2.gz NIMOTXBYOJZHOZ-INIZCTEOSA-N 0 0 449.891 2.983 50 0 IFAARN NS(=O)(=O)c1ccc(N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000001446754 555699219 /nfs/dbraw/zinc/69/92/19/555699219.db2.gz INIBAVFANZKYGZ-HNNXBMFYSA-N 0 0 436.748 2.801 50 0 IFAARN NS(=O)(=O)c1ccc(N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000001446755 555699231 /nfs/dbraw/zinc/69/92/31/555699231.db2.gz INIBAVFANZKYGZ-OAHLLOKOSA-N 0 0 436.748 2.801 50 0 IFAARN Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000001840031 555719700 /nfs/dbraw/zinc/71/97/00/555719700.db2.gz PDGCOTSISBGQNA-UHFFFAOYSA-N 0 0 437.279 2.574 50 0 IFAARN CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1I ZINC000002058345 555731128 /nfs/dbraw/zinc/73/11/28/555731128.db2.gz HDQPWINJCHICLO-HNNXBMFYSA-N 0 0 444.269 2.841 50 0 IFAARN CS(=O)(=O)c1cccc(-c2nnc(C3(c4ccc5c(c4)OCO5)CCOCC3)o2)c1 ZINC000071889939 555738696 /nfs/dbraw/zinc/73/86/96/555738696.db2.gz NHZKYYSCOMIFPZ-UHFFFAOYSA-N 0 0 428.466 2.965 50 0 IFAARN COc1ccc(C(=O)NCC(C)(C)CNC(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000002086320 555740018 /nfs/dbraw/zinc/74/00/18/555740018.db2.gz XKNSUTRZBXBAHL-UHFFFAOYSA-N 0 0 430.501 2.907 50 0 IFAARN CCC(CC)NC(=O)c1nnn(-c2cccc3c2CCN(S(=O)(=O)C(C)C)C3)c1C ZINC000071890383 555744439 /nfs/dbraw/zinc/74/44/39/555744439.db2.gz CONNNUHEKTUZAJ-UHFFFAOYSA-N 0 0 433.578 2.590 50 0 IFAARN O=C(CSC1=NCCS1)NC(NC(=O)CSC1=NCCS1)c1ccccc1 ZINC000002172135 555752081 /nfs/dbraw/zinc/75/20/81/555752081.db2.gz VHOGYKMZSKDGFU-UHFFFAOYSA-N 0 0 440.641 2.590 50 0 IFAARN CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(C)cc2)c2ccccc21 ZINC000002299895 555766580 /nfs/dbraw/zinc/76/65/80/555766580.db2.gz QITGOSMFNUNSDP-GOSISDBHSA-N 0 0 427.460 2.947 50 0 IFAARN CC(C)CN(C[C@H]1CN(C[C@H](O)COCc2ccco2)CCO1)C(=O)Cc1ccccc1 ZINC000034667272 555791242 /nfs/dbraw/zinc/79/12/42/555791242.db2.gz JKRYMSOYUFSDGP-LADGPHEKSA-N 0 0 444.572 2.585 50 0 IFAARN O=C(Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1)c1ccccc1F ZINC000034672038 555793467 /nfs/dbraw/zinc/79/34/67/555793467.db2.gz OWUBZGSFWXWORI-UHFFFAOYSA-N 0 0 440.500 2.984 50 0 IFAARN CN(C)c1nc(N2CCN(c3ccccc3)CC2)nc2c1CN(C(=O)c1ccco1)CC2 ZINC000034676746 555794670 /nfs/dbraw/zinc/79/46/70/555794670.db2.gz HFIAUMOVBICKNL-UHFFFAOYSA-N 0 0 432.528 2.661 50 0 IFAARN CN1CCN(c2nc(N3CCCC3)nc3c2CN(C(=O)OCc2ccccc2)CC3)CC1 ZINC000034676937 555795010 /nfs/dbraw/zinc/79/50/10/555795010.db2.gz GPZGWEGHLNFCSG-UHFFFAOYSA-N 0 0 436.560 2.524 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000034678080 555796511 /nfs/dbraw/zinc/79/65/11/555796511.db2.gz NYPODRRHWZBWPO-UHFFFAOYSA-N 0 0 434.496 2.651 50 0 IFAARN O=C(c1ccc(F)cc1)N(CC1CC1)C[C@@H]1CN(C[C@H](O)COCc2ccco2)CCO1 ZINC000034691664 555804463 /nfs/dbraw/zinc/80/44/63/555804463.db2.gz FWXVHYLVNPISBZ-GMAHTHKFSA-N 0 0 446.519 2.549 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2ccc(F)cc2)c1=O ZINC000034693060 555805959 /nfs/dbraw/zinc/80/59/59/555805959.db2.gz ZILFKTVEXWUUGC-UHFFFAOYSA-N 0 0 428.851 2.836 50 0 IFAARN CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccc(C)cc1 ZINC000034693497 555807706 /nfs/dbraw/zinc/80/77/06/555807706.db2.gz GNSYOXIRKWLFIB-KRWDZBQOSA-N 0 0 432.480 2.830 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2cccc(F)c2)n(-c2ccc(Cl)cc2)c1=O ZINC000034693705 555808207 /nfs/dbraw/zinc/80/82/07/555808207.db2.gz JRNIGHWRIVZOES-UHFFFAOYSA-N 0 0 428.851 2.836 50 0 IFAARN COC(=O)c1ccc(Cn2cnc3c2c(=O)n(C2CC2)c(=O)n3-c2ccccc2OC)cc1 ZINC000034694417 555809550 /nfs/dbraw/zinc/80/95/50/555809550.db2.gz KXKKJXRXIZICGM-UHFFFAOYSA-N 0 0 446.463 2.527 50 0 IFAARN O=S(=O)(Nc1ccc(N2CCN(Cc3ccncc3)CC2)nc1)c1ccc(F)cc1 ZINC000034682148 555816019 /nfs/dbraw/zinc/81/60/19/555816019.db2.gz YEJIWUGTGKRPDP-UHFFFAOYSA-N 0 0 427.505 2.739 50 0 IFAARN CCN1CCN(C(=O)c2csc(CN3CCN(c4ccc(Cl)cc4)CC3)n2)CC1 ZINC000034685357 555821085 /nfs/dbraw/zinc/82/10/85/555821085.db2.gz KADJXVLAICQESH-UHFFFAOYSA-N 0 0 434.009 2.896 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CCCC2=O ZINC000002809819 555826998 /nfs/dbraw/zinc/82/69/98/555826998.db2.gz WQHLPOKIERODEL-SFHVURJKSA-N 0 0 442.537 2.689 50 0 IFAARN Cc1ccc(CN(CC(=O)N2CCOCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000002847279 555837972 /nfs/dbraw/zinc/83/79/72/555837972.db2.gz HCMBNOBEWJCWEL-UHFFFAOYSA-N 0 0 430.570 2.970 50 0 IFAARN CCOC(=O)c1sc(NC(=S)N2CCC3(CC2)OCCO3)c(C(=O)OCC)c1C ZINC000002850829 555839310 /nfs/dbraw/zinc/83/93/10/555839310.db2.gz FFILFXMWTPYLCR-UHFFFAOYSA-N 0 0 442.559 2.946 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2cccc(C(C)=O)c2)cc1 ZINC000002857114 555842318 /nfs/dbraw/zinc/84/23/18/555842318.db2.gz FQVNRYCJRPIOTJ-UHFFFAOYSA-N 0 0 425.470 2.772 50 0 IFAARN CC(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000002859074 555843286 /nfs/dbraw/zinc/84/32/86/555843286.db2.gz QKWCINLKZOOXFS-NSHDSACASA-N 0 0 425.304 2.957 50 0 IFAARN Cc1csc(NC(=O)CSc2nnc(CCNC(=O)c3cccc(C)c3)n2C)n1 ZINC000002859653 555843884 /nfs/dbraw/zinc/84/38/84/555843884.db2.gz DZXLABFENHCRHX-UHFFFAOYSA-N 0 0 430.559 2.592 50 0 IFAARN O=C1N[C@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1c1ccc(Cl)cc1 ZINC000002863462 555846066 /nfs/dbraw/zinc/84/60/66/555846066.db2.gz SBQHAESPWJYUFS-OAHLLOKOSA-N 0 0 433.795 2.633 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)cc1 ZINC000002865353 555846781 /nfs/dbraw/zinc/84/67/81/555846781.db2.gz QBRWWSNBJRJZFC-ZDUSSCGKSA-N 0 0 429.523 3.000 50 0 IFAARN COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000002875278 555851961 /nfs/dbraw/zinc/85/19/61/555851961.db2.gz DFTJINLNRODHJU-UHFFFAOYSA-N 0 0 426.498 2.737 50 0 IFAARN CCOC(=O)c1sc(NC(=O)[C@H](CC)Sc2nnc(NC(C)=O)s2)nc1C ZINC000002881976 555855963 /nfs/dbraw/zinc/85/59/63/555855963.db2.gz GIWPDHRYXWFMHD-VIFPVBQESA-N 0 0 429.549 2.948 50 0 IFAARN COc1ccc(C=CC(=O)NC(=S)NCCc2ccc(OC)c(OC)c2)cc1OC ZINC000002900239 555860569 /nfs/dbraw/zinc/86/05/69/555860569.db2.gz DVJJMJZAFIXLCG-JXMROGBWSA-N 0 0 430.526 2.968 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000002915882 555862691 /nfs/dbraw/zinc/86/26/91/555862691.db2.gz GRAVRUWSRAODOO-CNSVBDKNSA-N 0 0 434.517 2.812 50 0 IFAARN COCCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000002953229 555866425 /nfs/dbraw/zinc/86/64/25/555866425.db2.gz LZXMSDHRCLLDFV-UHFFFAOYSA-N 0 0 431.341 2.947 50 0 IFAARN COc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC ZINC000003004477 555878159 /nfs/dbraw/zinc/87/81/59/555878159.db2.gz XUBWLGBIYLERSV-UHFFFAOYSA-N 0 0 442.468 2.932 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000003203377 555898056 /nfs/dbraw/zinc/89/80/56/555898056.db2.gz LDAWNLRYLIADHF-UHFFFAOYSA-N 0 0 428.554 2.802 50 0 IFAARN Cc1ccccc1CC(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4ccccc4)CC3)c2C1 ZINC000034809641 555908209 /nfs/dbraw/zinc/90/82/09/555908209.db2.gz FKMRDQAZUNMQGP-UHFFFAOYSA-N 0 0 443.551 2.808 50 0 IFAARN COc1ccc(CCNC(=O)c2[nH]nc3c2CN(C(=O)c2cccc(OC)c2)CC3)cc1 ZINC000034832017 555912663 /nfs/dbraw/zinc/91/26/63/555912663.db2.gz VAVDOHMTRSXSJL-UHFFFAOYSA-N 0 0 434.496 2.598 50 0 IFAARN CN1C2=C(C(=O)N(CC(=O)N3CCCCC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000034792110 555916588 /nfs/dbraw/zinc/91/65/88/555916588.db2.gz HGFXUMNXPURRTH-GOSISDBHSA-N 0 0 436.434 2.510 50 0 IFAARN COc1ccccc1OCc1nc(C(=O)NCCNC(=O)Cc2ccccc2)cs1 ZINC000034905649 555920051 /nfs/dbraw/zinc/92/00/51/555920051.db2.gz AJDGFMNHNKPRTL-UHFFFAOYSA-N 0 0 425.510 2.819 50 0 IFAARN COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1 ZINC000034900013 555929211 /nfs/dbraw/zinc/92/92/11/555929211.db2.gz NVEHYOIUFWHJSO-CEWLAPEOSA-N 0 0 427.545 2.501 50 0 IFAARN COCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000003464920 555936005 /nfs/dbraw/zinc/93/60/05/555936005.db2.gz HRNPXFGAEYQJPD-UHFFFAOYSA-N 0 0 445.368 2.989 50 0 IFAARN CC[C@@H](C)NC(=O)N1CCN(c2ncccc2C(=O)NCc2ccc(OC)cc2)CC1 ZINC000022639998 555937220 /nfs/dbraw/zinc/93/72/20/555937220.db2.gz UAHQGWREBJBQSM-QGZVFWFLSA-N 0 0 425.533 2.650 50 0 IFAARN COCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003630554 555941755 /nfs/dbraw/zinc/94/17/55/555941755.db2.gz AEJXNKVZRLLROL-FGZHOGPDSA-N 0 0 442.512 2.776 50 0 IFAARN COc1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc32)cc1Cl ZINC000003665794 555945096 /nfs/dbraw/zinc/94/50/96/555945096.db2.gz KSVDAVIIQBXZPC-UHFFFAOYSA-N 0 0 426.907 2.660 50 0 IFAARN O=C(CCNS(=O)(=O)c1cccc2nsnc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000003665801 555945236 /nfs/dbraw/zinc/94/52/36/555945236.db2.gz PUWVLOMPIZBXBE-UHFFFAOYSA-N 0 0 446.432 2.897 50 0 IFAARN CC(=O)N[C@@H](NC(=S)Nc1sc2c(c1C(N)=O)CCCC2)C(Cl)(Cl)Cl ZINC000004177622 555973654 /nfs/dbraw/zinc/97/36/54/555973654.db2.gz WUKZAOKSQYTOLH-LBPRGKRZSA-N 0 0 443.809 2.845 50 0 IFAARN CC(C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(F)c1)N2 ZINC000009505531 555983156 /nfs/dbraw/zinc/98/31/56/555983156.db2.gz DWIFUETZFPTTAP-FQEVSTJZSA-N 0 0 447.532 2.949 50 0 IFAARN O=C(NCc1ccc(Cl)cc1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009529865 556003492 /nfs/dbraw/zinc/00/34/92/556003492.db2.gz OEPGLGHXFCTZIU-IRXDYDNUSA-N 0 0 435.958 2.950 50 0 IFAARN CC(C)[C@H](NC(=O)[C@@H](CSCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O ZINC000005062878 556031045 /nfs/dbraw/zinc/03/10/45/556031045.db2.gz ZAPMIDFJTRZCNZ-UXHICEINSA-N 0 0 443.569 2.841 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000002196242 556056134 /nfs/dbraw/zinc/05/61/34/556056134.db2.gz JPIWEYDYKWSXRG-RDJZCZTQSA-N 0 0 430.888 2.857 50 0 IFAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)c1 ZINC000002207257 556058154 /nfs/dbraw/zinc/05/81/54/556058154.db2.gz IITJFEVOEXSPSN-UHFFFAOYSA-N 0 0 429.502 2.806 50 0 IFAARN CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(CC)cc1 ZINC000006149696 556078237 /nfs/dbraw/zinc/07/82/37/556078237.db2.gz VDOJZPSFZSVCDQ-MRXNPFEDSA-N 0 0 446.573 2.708 50 0 IFAARN CS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)CC1 ZINC000006244838 556082297 /nfs/dbraw/zinc/08/22/97/556082297.db2.gz PXFHKYPIZQFXGO-UHFFFAOYSA-N 0 0 430.917 2.668 50 0 IFAARN O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000006492171 556091670 /nfs/dbraw/zinc/09/16/70/556091670.db2.gz RJLYCJQZOKHVQN-OAHLLOKOSA-N 0 0 438.347 2.561 50 0 IFAARN O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000006492172 556091735 /nfs/dbraw/zinc/09/17/35/556091735.db2.gz RJLYCJQZOKHVQN-HNNXBMFYSA-N 0 0 438.347 2.561 50 0 IFAARN CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(Br)cc1 ZINC000006553015 556094039 /nfs/dbraw/zinc/09/40/39/556094039.db2.gz NTNFVQUAJMSDFP-NNFUDEMPSA-N 0 0 427.291 2.615 50 0 IFAARN Cc1c(C(=O)NCc2ccc(F)cc2)c(C)n2cnn(CC(=O)Nc3ccccc3)c(=O)c12 ZINC000033293030 556098217 /nfs/dbraw/zinc/09/82/17/556098217.db2.gz POYSRPHJRJPEKQ-UHFFFAOYSA-N 0 0 447.470 2.821 50 0 IFAARN C[C@H](OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)NCc1ccccc1Cl ZINC000018591501 556102536 /nfs/dbraw/zinc/10/25/36/556102536.db2.gz AKNNAMUMTGBKGN-AWEZNQCLSA-N 0 0 428.872 2.851 50 0 IFAARN O=C(/C=C/c1ccccc1)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1 ZINC000002694882 556121139 /nfs/dbraw/zinc/12/11/39/556121139.db2.gz AITCMLMDHWJDMJ-RMKNXTFCSA-N 0 0 429.523 2.969 50 0 IFAARN NS(=O)(=O)c1ccc(CCNc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000002694929 556121169 /nfs/dbraw/zinc/12/11/69/556121169.db2.gz FMPCHKMCZQCZOY-UHFFFAOYSA-N 0 0 428.905 2.771 50 0 IFAARN COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1 ZINC000002723495 556128760 /nfs/dbraw/zinc/12/87/60/556128760.db2.gz DFDMMDDCQVEQRP-UHFFFAOYSA-N 0 0 428.470 2.782 50 0 IFAARN CCn1cc(Cl)c(-c2nnc(SCC(=O)NCC(C)C)n2C[C@@H]2CCCO2)n1 ZINC000002791794 556144316 /nfs/dbraw/zinc/14/43/16/556144316.db2.gz RYSADFCVFMCLMC-ZDUSSCGKSA-N 0 0 426.974 2.858 50 0 IFAARN CCn1c(CCn2nc(C)c(Br)c2C)nnc1SCC(=O)NCC(C)C ZINC000002792407 556144393 /nfs/dbraw/zinc/14/43/93/556144393.db2.gz PHHLKLKTKBRBKH-UHFFFAOYSA-N 0 0 443.415 2.981 50 0 IFAARN O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccn(Cn2nnc(-c3ccccc3)n2)n1 ZINC000002794297 556145179 /nfs/dbraw/zinc/14/51/79/556145179.db2.gz JRSPQTSJDIXBGU-UHFFFAOYSA-N 0 0 435.316 2.990 50 0 IFAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Cl)C1 ZINC000002808025 556146400 /nfs/dbraw/zinc/14/64/00/556146400.db2.gz IANDWBCAVSBTLL-CYBMUJFWSA-N 0 0 431.345 2.848 50 0 IFAARN COc1cc(NC(=O)CSc2nnc(Cn3nccc3C)o2)ccc1OC(F)F ZINC000002809397 556146979 /nfs/dbraw/zinc/14/69/79/556146979.db2.gz AWAMMKCBHWKFQO-UHFFFAOYSA-N 0 0 425.417 2.964 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000008246717 556154542 /nfs/dbraw/zinc/15/45/42/556154542.db2.gz KHKJCICCCROCIE-QGZVFWFLSA-N 0 0 425.485 2.679 50 0 IFAARN CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC)cc3)CC2=O)cc1 ZINC000008383890 556159674 /nfs/dbraw/zinc/15/96/74/556159674.db2.gz HBRZSAKOSHWWTD-KRWDZBQOSA-N 0 0 425.437 2.651 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000008424459 556167956 /nfs/dbraw/zinc/16/79/56/556167956.db2.gz INOKDTWEHYROKC-FYXHJSOBSA-N 0 0 428.510 2.999 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1 ZINC000008608744 556191619 /nfs/dbraw/zinc/19/16/19/556191619.db2.gz TZUPIRPEMBMRMP-UHFFFAOYSA-N 0 0 432.436 2.597 50 0 IFAARN CC[C@H]1CCCCN1C(=O)Cn1c2ccc(S(=O)(=O)N3CCCCC3)cc2oc1=O ZINC000008609745 556191938 /nfs/dbraw/zinc/19/19/38/556191938.db2.gz PKUHPZHSOSYMSO-INIZCTEOSA-N 0 0 435.546 2.560 50 0 IFAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc(OC)c1OC ZINC000008660942 556197300 /nfs/dbraw/zinc/19/73/00/556197300.db2.gz YZXBOVZDFWTYTE-FQEVSTJZSA-N 0 0 442.468 2.963 50 0 IFAARN COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)Nc2cccc(Cl)c2)c1 ZINC000008690203 556200241 /nfs/dbraw/zinc/20/02/41/556200241.db2.gz IJTPCSBOHGJHDM-KRWDZBQOSA-N 0 0 446.891 2.718 50 0 IFAARN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000008691607 556200532 /nfs/dbraw/zinc/20/05/32/556200532.db2.gz QOLVJHLBDLGJHD-INIZCTEOSA-N 0 0 431.901 2.844 50 0 IFAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F ZINC000008741819 556207451 /nfs/dbraw/zinc/20/74/51/556207451.db2.gz KYIWLCVIVOVHDH-MISXGVKJSA-N 0 0 425.201 2.575 50 0 IFAARN Cc1[nH]c(C(=O)OCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c(C)c1C(=O)OC(C)C ZINC000008745198 556208766 /nfs/dbraw/zinc/20/87/66/556208766.db2.gz JLKBYDZKQMJBIA-CYBMUJFWSA-N 0 0 430.457 2.960 50 0 IFAARN Cn1c2nc(NCc3ccc(F)cc3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000008774851 556213548 /nfs/dbraw/zinc/21/35/48/556213548.db2.gz QGWFRYFYJBUENH-UHFFFAOYSA-N 0 0 427.867 2.887 50 0 IFAARN Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cc2)o1 ZINC000008815927 556217092 /nfs/dbraw/zinc/21/70/92/556217092.db2.gz JJUIPBHWJSKISU-UHFFFAOYSA-N 0 0 433.511 2.773 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)CC2=O)cc1 ZINC000008816457 556217706 /nfs/dbraw/zinc/21/77/06/556217706.db2.gz IEAJXYLFATVKQL-OAHLLOKOSA-N 0 0 445.541 2.764 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008816422 556217774 /nfs/dbraw/zinc/21/77/74/556217774.db2.gz HGCKCNTVZSKLCE-MRXNPFEDSA-N 0 0 445.516 2.992 50 0 IFAARN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 ZINC000008817483 556218012 /nfs/dbraw/zinc/21/80/12/556218012.db2.gz JTMTYCLRTRCGOP-MRXNPFEDSA-N 0 0 449.891 2.983 50 0 IFAARN O=C(COC(=O)Cn1cc(C(F)(F)F)ccc1=O)Nc1ccccc1Br ZINC000010608905 556225387 /nfs/dbraw/zinc/22/53/87/556225387.db2.gz ZEYARGFFMVJXQR-UHFFFAOYSA-N 0 0 433.180 2.812 50 0 IFAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccnc4)c(=O)n32)cc1 ZINC000008835940 556225819 /nfs/dbraw/zinc/22/58/19/556225819.db2.gz QTVJYKHBVBHLOA-SRKIZSPNSA-N 0 0 449.532 2.590 50 0 IFAARN COC(=O)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1 ZINC000008915375 556232565 /nfs/dbraw/zinc/23/25/65/556232565.db2.gz WJJKXBNBEFDEDD-DOXZYTNZSA-N 0 0 440.349 2.716 50 0 IFAARN COCCNC(=O)c1cnn2c1N[C@@H](c1ccc(OC)c(OC)c1)C[C@@H]2C(F)(F)F ZINC000008926503 556234354 /nfs/dbraw/zinc/23/43/54/556234354.db2.gz HEYBVVWRKFIYPB-CZUORRHYSA-N 0 0 428.411 2.937 50 0 IFAARN COc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc(OC)c1OC ZINC000009124098 556248296 /nfs/dbraw/zinc/24/82/96/556248296.db2.gz JOSWFHDRWBQQCX-OAQYLSRUSA-N 0 0 439.468 2.736 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000009183586 556250214 /nfs/dbraw/zinc/25/02/14/556250214.db2.gz ZBLZOTRWAZSFLA-OXRZLYTFSA-N 0 0 439.924 2.847 50 0 IFAARN CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 ZINC000009191119 556253440 /nfs/dbraw/zinc/25/34/40/556253440.db2.gz LPOCXNMPVXXLNR-KRWDZBQOSA-N 0 0 429.542 2.929 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(SCC(=O)N3CCc4ccccc43)n2C)c1 ZINC000009263469 556270123 /nfs/dbraw/zinc/27/01/23/556270123.db2.gz WNRDUSXCACCGFQ-UHFFFAOYSA-N 0 0 437.525 2.686 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000009288604 556273143 /nfs/dbraw/zinc/27/31/43/556273143.db2.gz NBNIRWCOSYSHGJ-QGZVFWFLSA-N 0 0 427.526 2.853 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000009289585 556273748 /nfs/dbraw/zinc/27/37/48/556273748.db2.gz CUIYHEOYGPFANR-HNNXBMFYSA-N 0 0 437.481 2.864 50 0 IFAARN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccccc3SC)=C2)cc1OC ZINC000009290096 556273992 /nfs/dbraw/zinc/27/39/92/556273992.db2.gz GFUHQHMAXMCZIL-UHFFFAOYSA-N 0 0 447.538 2.928 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000009304327 556276227 /nfs/dbraw/zinc/27/62/27/556276227.db2.gz RCZKHSSCZFZJHL-ZDUSSCGKSA-N 0 0 432.527 2.739 50 0 IFAARN COc1ccc(OC)c2c1cc(C(=O)NCCC(=O)Nc1ccc3c(c1)OCCO3)n2C ZINC000013690787 556280092 /nfs/dbraw/zinc/28/00/92/556280092.db2.gz QDLCSZCHYUCLGQ-UHFFFAOYSA-N 0 0 439.468 2.725 50 0 IFAARN Cn1c(CNC(=O)[C@@H]2CCCO2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000013691549 556281193 /nfs/dbraw/zinc/28/11/93/556281193.db2.gz FAFLSWHBOKTDNX-SFHVURJKSA-N 0 0 448.932 2.823 50 0 IFAARN O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccc3c(c2)OCCO3)N1Cc1cccnc1 ZINC000013692331 556281992 /nfs/dbraw/zinc/28/19/92/556281992.db2.gz XVEUBSIQROLBBH-WMZHIEFXSA-N 0 0 438.505 2.702 50 0 IFAARN O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccc3c(c2)OCCO3)N1Cc1cccnc1 ZINC000013692328 556282024 /nfs/dbraw/zinc/28/20/24/556282024.db2.gz XVEUBSIQROLBBH-XXBNENTESA-N 0 0 438.505 2.702 50 0 IFAARN COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(OC)c(OC)c2)cc1 ZINC000009344374 556283726 /nfs/dbraw/zinc/28/37/26/556283726.db2.gz JQGJDPIJNCHTMK-QZTJIDSGSA-N 0 0 448.566 2.987 50 0 IFAARN COc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000097637767 556284034 /nfs/dbraw/zinc/28/40/34/556284034.db2.gz OGILSLWVJZSOHK-NHCUHLMSSA-N 0 0 442.487 2.558 50 0 IFAARN COc1ccc(-c2cc(NC(=O)COc3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000013720055 556289270 /nfs/dbraw/zinc/28/92/70/556289270.db2.gz NFIBRJLIKKVKIG-KRWDZBQOSA-N 0 0 441.509 2.936 50 0 IFAARN COc1cc(-c2nc(CC(=O)N[C@H](CO)CCSC)cs2)cc(OC)c1OC ZINC000013723984 556291800 /nfs/dbraw/zinc/29/18/00/556291800.db2.gz DJQBIAKEXODWDD-ZDUSSCGKSA-N 0 0 426.560 2.609 50 0 IFAARN Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1C ZINC000009525896 556296426 /nfs/dbraw/zinc/29/64/26/556296426.db2.gz UNRVLANRBZQVFT-INIZCTEOSA-N 0 0 443.887 2.632 50 0 IFAARN CCc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000009526005 556296693 /nfs/dbraw/zinc/29/66/93/556296693.db2.gz ZVRYTHBGTSMJGX-QGZVFWFLSA-N 0 0 436.464 2.820 50 0 IFAARN Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)no1 ZINC000009526019 556296694 /nfs/dbraw/zinc/29/66/94/556296694.db2.gz AIWIMNJYYWQFOR-UHFFFAOYSA-N 0 0 431.445 2.696 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000032741650 556303321 /nfs/dbraw/zinc/30/33/21/556303321.db2.gz PREGNVTUPSJDKU-QFIPXVFZSA-N 0 0 444.553 2.960 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000032741649 556303421 /nfs/dbraw/zinc/30/34/21/556303421.db2.gz PREGNVTUPSJDKU-JOCHJYFZSA-N 0 0 444.553 2.960 50 0 IFAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC(N)=O ZINC000032741925 556304016 /nfs/dbraw/zinc/30/40/16/556304016.db2.gz DUHZRLOXPZCVJI-UHFFFAOYSA-N 0 0 425.514 2.868 50 0 IFAARN COc1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2C[C@H]2CCCO2)c1 ZINC000009830420 556311000 /nfs/dbraw/zinc/31/10/00/556311000.db2.gz GEZVCIMYUDCBHG-MRXNPFEDSA-N 0 0 426.498 2.710 50 0 IFAARN COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000013804994 556311211 /nfs/dbraw/zinc/31/12/11/556311211.db2.gz XNFJUGZXYWPICQ-UHFFFAOYSA-N 0 0 427.892 2.764 50 0 IFAARN Cc1cccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCCC4)cc3oc2=O)c1 ZINC000009830627 556311333 /nfs/dbraw/zinc/31/13/33/556311333.db2.gz UVDAQGBOKBXSOH-UHFFFAOYSA-N 0 0 429.498 2.716 50 0 IFAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)N1CCC(C(=O)OCC)CC1 ZINC000013810602 556312240 /nfs/dbraw/zinc/31/22/40/556312240.db2.gz ZGHVWKKZDSGLBU-CQSZACIVSA-N 0 0 445.516 2.955 50 0 IFAARN COc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1 ZINC000009831009 556312337 /nfs/dbraw/zinc/31/23/37/556312337.db2.gz ORMGQLDWERUHSQ-UHFFFAOYSA-N 0 0 444.491 2.871 50 0 IFAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4O[C@@H]([C@H]3C2=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]42)cc1 ZINC000013813472 556313408 /nfs/dbraw/zinc/31/34/08/556313408.db2.gz ZHUREWIGNQTMMS-LLGWXDCBSA-N 0 0 436.851 2.849 50 0 IFAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCOC)cc1 ZINC000009846521 556313540 /nfs/dbraw/zinc/31/35/40/556313540.db2.gz IJVHAZXNSPIINR-FQEVSTJZSA-N 0 0 441.484 2.906 50 0 IFAARN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1nonc1NC(C)=O ZINC000009877546 556315074 /nfs/dbraw/zinc/31/50/74/556315074.db2.gz RDLNIFPXIWBBAW-UHFFFAOYSA-N 0 0 435.897 2.999 50 0 IFAARN Cc1ccc2c(c1)C(=O)N(CCC(=O)OCc1nc3sc4c(c3c(=O)[nH]1)CCC4)C2=O ZINC000032745414 556315353 /nfs/dbraw/zinc/31/53/53/556315353.db2.gz AHZCGGQBXWRWKZ-UHFFFAOYSA-N 0 0 437.477 2.511 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccccc2SC[C@@H]2CCCO2)NC(=O)N[C@H]1C ZINC000032747093 556315604 /nfs/dbraw/zinc/31/56/04/556315604.db2.gz HCUCHQZEOIBPPC-KBPBESRZSA-N 0 0 434.514 2.633 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccccc2SC[C@H]2CCCO2)NC(=O)N[C@@H]1C ZINC000032747091 556315650 /nfs/dbraw/zinc/31/56/50/556315650.db2.gz HCUCHQZEOIBPPC-ZIAGYGMSSA-N 0 0 434.514 2.633 50 0 IFAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)NCCCN1CCOCC1 ZINC000013839051 556317269 /nfs/dbraw/zinc/31/72/69/556317269.db2.gz ILVMGQSPEXPWBI-VWLOTQADSA-N 0 0 446.551 2.860 50 0 IFAARN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC000013856712 556321330 /nfs/dbraw/zinc/32/13/30/556321330.db2.gz QNUSAGNLXDJSIA-AWEZNQCLSA-N 0 0 435.263 2.913 50 0 IFAARN NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000032760733 556321381 /nfs/dbraw/zinc/32/13/81/556321381.db2.gz IZSNWVCZFDVKMF-GOSISDBHSA-N 0 0 449.338 2.557 50 0 IFAARN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000032760731 556321399 /nfs/dbraw/zinc/32/13/99/556321399.db2.gz IZSNWVCZFDVKMF-SFHVURJKSA-N 0 0 449.338 2.557 50 0 IFAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000032753653 556323154 /nfs/dbraw/zinc/32/31/54/556323154.db2.gz GRRIBRHQLOWSCI-UHFFFAOYSA-N 0 0 425.514 2.509 50 0 IFAARN COc1ccc(Cc2nnc(NC(=O)CS(=O)(=O)c3ccccc3)s2)cc1OC ZINC000010060210 556324705 /nfs/dbraw/zinc/32/47/05/556324705.db2.gz VSMDOGZOBLYGGV-UHFFFAOYSA-N 0 0 433.511 2.559 50 0 IFAARN Cn1c2ccc(S(=O)(=O)Oc3cccc(C(=O)NCc4ccccc4)c3)cc2oc1=O ZINC000032755429 556324706 /nfs/dbraw/zinc/32/47/06/556324706.db2.gz BYWKFLZADXSRPT-UHFFFAOYSA-N 0 0 438.461 2.829 50 0 IFAARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)O[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000032776487 556326591 /nfs/dbraw/zinc/32/65/91/556326591.db2.gz NPUHROPIDMXLLJ-IUODEOHRSA-N 0 0 426.469 2.764 50 0 IFAARN CCOC(=O)c1ccc2c(c1)n(CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)c(=O)n2CC ZINC000032776741 556326802 /nfs/dbraw/zinc/32/68/02/556326802.db2.gz OMFHHGJDIFXMGS-UHFFFAOYSA-N 0 0 427.457 2.614 50 0 IFAARN COc1cccc(-c2n[nH]c(=O)c3c2[C@@H](c2cc(OC)ccc2OC)n2nnnc2N3)c1 ZINC000010296947 556329680 /nfs/dbraw/zinc/32/96/80/556329680.db2.gz LUBYBAVZDJQUBH-LJQANCHMSA-N 0 0 433.428 2.556 50 0 IFAARN COc1cccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc(OC)cc2OC)n2nnnc2N3)c1 ZINC000010296938 556329704 /nfs/dbraw/zinc/32/97/04/556329704.db2.gz SBKUGGXSVAFSTP-LJQANCHMSA-N 0 0 433.428 2.556 50 0 IFAARN COc1ccc([C@@H]2c3c(-c4ccc(OC)c(OC)c4)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010297095 556330065 /nfs/dbraw/zinc/33/00/65/556330065.db2.gz DVKICZDRHONFLL-LJQANCHMSA-N 0 0 433.428 2.556 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)c(OC)c1 ZINC000032768809 556333464 /nfs/dbraw/zinc/33/34/64/556333464.db2.gz JKFHDGATIYMHHI-IBGZPJMESA-N 0 0 433.530 2.794 50 0 IFAARN COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000032774355 556336601 /nfs/dbraw/zinc/33/66/01/556336601.db2.gz KSZLUNIXYGTMKA-NRFANRHFSA-N 0 0 441.528 2.758 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)c(OC)c1 ZINC000013944078 556341089 /nfs/dbraw/zinc/34/10/89/556341089.db2.gz QQEOHRPXLRBKSZ-INIZCTEOSA-N 0 0 427.476 2.545 50 0 IFAARN CCn1ccnc1CN1CCC(n2nccc2NS(=O)(=O)Cc2ccccc2)CC1 ZINC000011664842 556345306 /nfs/dbraw/zinc/34/53/06/556345306.db2.gz HTZTZKBGBQXRJB-UHFFFAOYSA-N 0 0 428.562 2.879 50 0 IFAARN CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O)[C@H]1CCCc2ccccc21 ZINC000032571521 556348500 /nfs/dbraw/zinc/34/85/00/556348500.db2.gz YIVUKXMIHORRGD-DFBJGRDBSA-N 0 0 449.507 2.761 50 0 IFAARN COc1cccc(CN2C(=O)N[C@](C)(C3CCN(C(=O)/C=C/C(C)C)CC3)C2=O)c1OC ZINC000011782204 556350985 /nfs/dbraw/zinc/35/09/85/556350985.db2.gz RVWFRPDXOIOGKS-HBRDYDSTSA-N 0 0 443.544 2.965 50 0 IFAARN COc1cccc(CN2C(=O)N[C@@](C)(C3CCN(C(=O)/C=C/C(C)C)CC3)C2=O)c1OC ZINC000011782203 556351033 /nfs/dbraw/zinc/35/10/33/556351033.db2.gz RVWFRPDXOIOGKS-GTCGAKFVSA-N 0 0 443.544 2.965 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccco2)c1=O ZINC000013992241 556352870 /nfs/dbraw/zinc/35/28/70/556352870.db2.gz SVXXPRZBLDRUMW-GOSISDBHSA-N 0 0 431.492 2.942 50 0 IFAARN Cc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000013992336 556353192 /nfs/dbraw/zinc/35/31/92/556353192.db2.gz NFNRNELUXXHOEE-UHFFFAOYSA-N 0 0 431.467 2.975 50 0 IFAARN COCCN1C(=O)C[C@](CC(=O)N2CCC[C@H]2c2nccs2)(c2ccccc2F)C1=O ZINC000011787866 556354242 /nfs/dbraw/zinc/35/42/42/556354242.db2.gz KPCFJKVPRZVCEU-HTAPYJJXSA-N 0 0 445.516 2.679 50 0 IFAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000014014578 556355122 /nfs/dbraw/zinc/35/51/22/556355122.db2.gz HCJQMTPSYMGJIH-OAQYLSRUSA-N 0 0 425.529 2.630 50 0 IFAARN O=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000014017681 556356000 /nfs/dbraw/zinc/35/60/00/556356000.db2.gz WTRLDHQUZFEAMO-UHFFFAOYSA-N 0 0 429.524 2.772 50 0 IFAARN CCC(=O)[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)C1 ZINC000011791315 556356081 /nfs/dbraw/zinc/35/60/81/556356081.db2.gz OGUGCHVWEFRTSG-FNZWTVRRSA-N 0 0 447.535 2.886 50 0 IFAARN CC(C)C[C@@H](NC(=O)c1cc(Cl)ccn1)C(=O)OCN1C(=O)c2ccccc2C1=O ZINC000014018948 556356248 /nfs/dbraw/zinc/35/62/48/556356248.db2.gz MEDOMKCHDMBWEL-QGZVFWFLSA-N 0 0 429.860 2.676 50 0 IFAARN CCN(C(=O)CSc1ccc(F)c(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014070244 556360808 /nfs/dbraw/zinc/36/08/08/556360808.db2.gz IFOHBHQKLZMZDP-UHFFFAOYSA-N 0 0 446.479 2.591 50 0 IFAARN COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(Cl)c1OC ZINC000014076277 556361832 /nfs/dbraw/zinc/36/18/32/556361832.db2.gz OZLPAVUQIGWJQJ-UHFFFAOYSA-N 0 0 442.896 2.643 50 0 IFAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCCOc1ccccc1 ZINC000014095451 556367238 /nfs/dbraw/zinc/36/72/38/556367238.db2.gz ZDPQDDUNHXTSOR-UHFFFAOYSA-N 0 0 429.476 2.677 50 0 IFAARN O=C(NCc1nnc2n1CCC2)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000011878812 556371313 /nfs/dbraw/zinc/37/13/13/556371313.db2.gz GUVTVXXOCNFLQG-GOSISDBHSA-N 0 0 443.555 2.703 50 0 IFAARN COc1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@H](C)n2nc(C)cc2C)C3)nn1 ZINC000011880460 556372580 /nfs/dbraw/zinc/37/25/80/556372580.db2.gz RMXOFXGSIGHYAN-YOEHRIQHSA-N 0 0 425.464 2.786 50 0 IFAARN COCCN1C(=O)C[C@@](CC(=O)NCc2ccc(F)cc2F)(c2ccccc2C)C1=O ZINC000011881958 556373142 /nfs/dbraw/zinc/37/31/42/556373142.db2.gz OTXONNCTTYCHIB-QHCPKHFHSA-N 0 0 430.451 2.623 50 0 IFAARN O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000011909122 556374335 /nfs/dbraw/zinc/37/43/35/556374335.db2.gz YOFVGDDASWXDSH-UHFFFAOYSA-N 0 0 429.446 2.613 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000014162263 556378629 /nfs/dbraw/zinc/37/86/29/556378629.db2.gz VUFKBQQNFVJRIP-XMMPIXPASA-N 0 0 436.512 2.749 50 0 IFAARN C[C@@H]1Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)cc2NC1=O ZINC000014162674 556378997 /nfs/dbraw/zinc/37/89/97/556378997.db2.gz HIHIEDCNZVQXPS-ZDUSSCGKSA-N 0 0 441.465 2.730 50 0 IFAARN Cc1cnccc1CNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000011937847 556379515 /nfs/dbraw/zinc/37/95/15/556379515.db2.gz HQAYEUIRIIWWKW-UHFFFAOYSA-N 0 0 437.949 2.776 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000014166745 556379762 /nfs/dbraw/zinc/37/97/62/556379762.db2.gz HVEZLMIIDFMJFE-XMMPIXPASA-N 0 0 432.480 2.536 50 0 IFAARN CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)C2=C(C)OCCO2)CC1)c1ccccc1 ZINC000011957571 556381057 /nfs/dbraw/zinc/38/10/57/556381057.db2.gz NMCQUBIXOULWRU-OAQYLSRUSA-N 0 0 440.500 2.651 50 0 IFAARN CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCN3C(C)=O)C1=O ZINC000014171654 556381864 /nfs/dbraw/zinc/38/18/64/556381864.db2.gz DLIWEHXLTHRLMA-XMMPIXPASA-N 0 0 434.496 2.700 50 0 IFAARN CCC(CC)C(=O)N1CCc2c(C(=O)N[C@@H](C)c3ccco3)c(OC)cc(=O)n2CC1 ZINC000011970533 556382451 /nfs/dbraw/zinc/38/24/51/556382451.db2.gz ZXOZGDWKOQFCPZ-HNNXBMFYSA-N 0 0 429.517 2.762 50 0 IFAARN Cc1ccc(OCC(=O)N2CCC3(C[C@H]3C(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000011997885 556384523 /nfs/dbraw/zinc/38/45/23/556384523.db2.gz DOTDDPQKOIDRBH-QFIPXVFZSA-N 0 0 448.567 2.746 50 0 IFAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000014184637 556384745 /nfs/dbraw/zinc/38/47/45/556384745.db2.gz DHKUUQUASCRUFU-UHFFFAOYSA-N 0 0 445.479 2.594 50 0 IFAARN COc1cc(CNC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)ccc1OCc1ccccc1 ZINC000014185085 556385160 /nfs/dbraw/zinc/38/51/60/556385160.db2.gz FYNVRFGICCTZGF-UHFFFAOYSA-N 0 0 445.475 2.594 50 0 IFAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(OCC(N)=O)cc1 ZINC000014190313 556387744 /nfs/dbraw/zinc/38/77/44/556387744.db2.gz AHIHLRQFWJZAIB-UHFFFAOYSA-N 0 0 443.809 2.934 50 0 IFAARN CCc1c(C(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)cnc2cc(=O)[nH]n21 ZINC000032818993 556388030 /nfs/dbraw/zinc/38/80/30/556388030.db2.gz AKSQYRZJOXNCQV-UHFFFAOYSA-N 0 0 438.484 2.953 50 0 IFAARN Cc1c(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cccc1-n1cnnn1 ZINC000014196773 556388543 /nfs/dbraw/zinc/38/85/43/556388543.db2.gz RYGKCJKIEHPFLA-UHFFFAOYSA-N 0 0 425.499 2.922 50 0 IFAARN COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C/C=C/c1ccc(OC)cc1)CC2 ZINC000012034468 556389189 /nfs/dbraw/zinc/38/91/89/556389189.db2.gz TWKDMDRFLQEBCD-YAQIIAKESA-N 0 0 441.576 2.708 50 0 IFAARN Cn1c(=O)c2c3c(sc2nc1SC[C@H](O)COCc1ccc2c(c1)OCO2)CCC3 ZINC000014200910 556391724 /nfs/dbraw/zinc/39/17/24/556391724.db2.gz WKLCORACEYZHKD-CYBMUJFWSA-N 0 0 446.550 2.882 50 0 IFAARN c1ccc(-n2nnnc2N2CCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)cc1 ZINC000032809524 556394507 /nfs/dbraw/zinc/39/45/07/556394507.db2.gz GNGSWTGMDATURU-UHFFFAOYSA-N 0 0 435.495 2.994 50 0 IFAARN CCc1ccc(NC(=O)Cc2nc(-c3c(N)n(CC(C)C)c(=O)n(C)c3=O)cs2)cc1 ZINC000014229097 556396393 /nfs/dbraw/zinc/39/63/93/556396393.db2.gz FUBIDQQLTJVRCP-UHFFFAOYSA-N 0 0 441.557 2.652 50 0 IFAARN CCCN(CC(=O)Nc1cccc(N2CCCC2=O)c1)S(=O)(=O)c1ccccc1F ZINC000032810329 556396718 /nfs/dbraw/zinc/39/67/18/556396718.db2.gz ZEXMGDNQAKUWIG-UHFFFAOYSA-N 0 0 433.505 2.992 50 0 IFAARN COc1cccc(Cn2nccc2NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1OC ZINC000032810780 556397548 /nfs/dbraw/zinc/39/75/48/556397548.db2.gz JQNVOIWFTBWLAM-UHFFFAOYSA-N 0 0 448.479 2.964 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000014232251 556398202 /nfs/dbraw/zinc/39/82/02/556398202.db2.gz HBIQVVKWAOIOOR-MRXNPFEDSA-N 0 0 436.555 2.755 50 0 IFAARN O=C(CCSc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000014236744 556399380 /nfs/dbraw/zinc/39/93/80/556399380.db2.gz XBZWLOJSDYHDGY-UHFFFAOYSA-N 0 0 426.510 2.980 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1cccc(Cl)c1 ZINC000014240410 556400891 /nfs/dbraw/zinc/40/08/91/556400891.db2.gz LXJMWLYONTVZLT-UHFFFAOYSA-N 0 0 436.961 2.652 50 0 IFAARN CCn1c(=O)c(C(=O)CN2CCC[C@@H]2c2cccs2)c(N)n(Cc2ccccc2)c1=O ZINC000014240911 556401509 /nfs/dbraw/zinc/40/15/09/556401509.db2.gz HRLSOFHTHVEXSR-QGZVFWFLSA-N 0 0 438.553 2.742 50 0 IFAARN COc1ccc2oc(C(=O)N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c(C)c2c1 ZINC000014241519 556401768 /nfs/dbraw/zinc/40/17/68/556401768.db2.gz WEJFBZVQBSUZQX-UHFFFAOYSA-N 0 0 433.486 2.501 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)NC(=O)CS3)cc1OC ZINC000014241545 556401996 /nfs/dbraw/zinc/40/19/96/556401996.db2.gz HQWYEXSZKCVUGR-GFCCVEGCSA-N 0 0 430.482 2.610 50 0 IFAARN CCOc1ccc2nc(N3CCC(C(=O)NCCCN4CCCC4=O)CC3)nc(C)c2c1 ZINC000012150113 556402326 /nfs/dbraw/zinc/40/23/26/556402326.db2.gz CMBJVAVNIUVRKA-UHFFFAOYSA-N 0 0 439.560 2.682 50 0 IFAARN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1nnnn1-c1ccccc1 ZINC000014242144 556402641 /nfs/dbraw/zinc/40/26/41/556402641.db2.gz DYAKVDKWNMSOCP-UHFFFAOYSA-N 0 0 438.491 2.938 50 0 IFAARN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCC1(N2CCOCC2)CCCCC1 ZINC000014242350 556402864 /nfs/dbraw/zinc/40/28/64/556402864.db2.gz UZHLGTFZACEZEQ-UHFFFAOYSA-N 0 0 430.545 2.962 50 0 IFAARN COc1ccccc1CN1C[C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)CCC1=O ZINC000012429239 556404309 /nfs/dbraw/zinc/40/43/09/556404309.db2.gz PKTYAIKJBMMFPF-FQEVSTJZSA-N 0 0 435.524 2.877 50 0 IFAARN NC(=O)N[C@@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 ZINC000014246267 556406061 /nfs/dbraw/zinc/40/60/61/556406061.db2.gz OBUKPWMYXHYITL-OAHLLOKOSA-N 0 0 441.841 2.812 50 0 IFAARN CCOc1ccc(N2C[C@H](C(=O)N3CCC(n4c5ccccc5[nH]c4=O)CC3)CC2=O)cc1 ZINC000014253527 556410082 /nfs/dbraw/zinc/41/00/82/556410082.db2.gz MEAIRLJZYRKNSF-QGZVFWFLSA-N 0 0 448.523 2.945 50 0 IFAARN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N(C)CC(=O)Nc3ccccc3Cl)c(C)c12 ZINC000032827557 556411508 /nfs/dbraw/zinc/41/15/08/556411508.db2.gz PYVHZTXCMLRHSE-UHFFFAOYSA-N 0 0 429.908 2.562 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)c(OC)c1 ZINC000032820710 556412408 /nfs/dbraw/zinc/41/24/08/556412408.db2.gz VHZMRKBOVCRCCD-RDTXWAMCSA-N 0 0 436.505 2.873 50 0 IFAARN CCOC(=O)c1sc2nc(C)nc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)c2c1C ZINC000014330946 556413592 /nfs/dbraw/zinc/41/35/92/556413592.db2.gz DFGVPWJRBIGIBI-OAHLLOKOSA-N 0 0 432.546 2.560 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)COc1ccc(-n3cnnn3)cc1)C[C@H](C)CC2 ZINC000014352369 556413880 /nfs/dbraw/zinc/41/38/80/556413880.db2.gz GNQAEQWUNOWMIH-GFCCVEGCSA-N 0 0 427.486 2.653 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000032655824 556413927 /nfs/dbraw/zinc/41/39/27/556413927.db2.gz BDEKARPSFLWOMV-UHFFFAOYSA-N 0 0 429.542 2.825 50 0 IFAARN COc1cc(C)ccc1OCC(=O)OCC(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000032672118 556414771 /nfs/dbraw/zinc/41/47/71/556414771.db2.gz XSHQVCXCNNMJLT-UHFFFAOYSA-N 0 0 426.513 2.578 50 0 IFAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000032830334 556417075 /nfs/dbraw/zinc/41/70/75/556417075.db2.gz RHBVULOFHMPCGI-UHFFFAOYSA-N 0 0 425.470 2.575 50 0 IFAARN C[C@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000032830377 556417123 /nfs/dbraw/zinc/41/71/23/556417123.db2.gz MSYVQNQRGCRWNO-WAIKUNEKSA-N 0 0 439.468 2.572 50 0 IFAARN CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000032833591 556417554 /nfs/dbraw/zinc/41/75/54/556417554.db2.gz PTJPRTJFABIUHU-UHFFFAOYSA-N 0 0 428.470 2.711 50 0 IFAARN CCOc1c(Cl)cc(C(=O)N2CSC[C@H]2C(=O)NCC(F)(F)F)cc1OC ZINC000032833953 556417868 /nfs/dbraw/zinc/41/78/68/556417868.db2.gz NJGJMMIQQCGYNF-NSHDSACASA-N 0 0 426.844 2.941 50 0 IFAARN CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)c2cccc(-n3cccn3)c2)CC1=O ZINC000014532243 556420993 /nfs/dbraw/zinc/42/09/93/556420993.db2.gz JUKKEMHHCHPDLS-HSZRJFAPSA-N 0 0 447.539 2.793 50 0 IFAARN O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012980847 556424312 /nfs/dbraw/zinc/42/43/12/556424312.db2.gz CCTAKJOGCPDORK-UHFFFAOYSA-N 0 0 448.516 2.704 50 0 IFAARN Cc1cccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000012981447 556424481 /nfs/dbraw/zinc/42/44/81/556424481.db2.gz BHRIDNSVLNQIGS-SFHVURJKSA-N 0 0 427.570 2.817 50 0 IFAARN COC(=O)c1c(NC(=O)COc2ccccc2)c2cc(N[C@H](C)CCO)cnc2n1C ZINC000014538985 556424582 /nfs/dbraw/zinc/42/45/82/556424582.db2.gz SZDFAIRBTBUSDF-CQSZACIVSA-N 0 0 426.473 2.560 50 0 IFAARN CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)CCC(=O)c2ccccc2)CC1=O ZINC000014538550 556424636 /nfs/dbraw/zinc/42/46/36/556424636.db2.gz YGLJUWHDFCEJAC-JOCHJYFZSA-N 0 0 437.540 2.957 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O ZINC000012981893 556424940 /nfs/dbraw/zinc/42/49/40/556424940.db2.gz KNXYHSYCDIEOKZ-OAQYLSRUSA-N 0 0 430.844 2.850 50 0 IFAARN NS(=O)(=O)c1cc(C(=O)NCc2ccc(Cn3cccn3)cc2)c(Cl)cc1Cl ZINC000012986891 556427363 /nfs/dbraw/zinc/42/73/63/556427363.db2.gz ICNWBCNEUWOQLV-UHFFFAOYSA-N 0 0 439.324 2.816 50 0 IFAARN C[C@@H]1Oc2ccccc2N(CCC(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1=O ZINC000032842854 556427837 /nfs/dbraw/zinc/42/78/37/556427837.db2.gz KRQOGLBZMYLNQS-LBPRGKRZSA-N 0 0 439.493 2.721 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cnc3ccccc3n2)cc1 ZINC000012990806 556428437 /nfs/dbraw/zinc/42/84/37/556428437.db2.gz WMEJSPUSUPLJEX-AWEZNQCLSA-N 0 0 442.497 2.501 50 0 IFAARN CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)s1 ZINC000032843971 556428908 /nfs/dbraw/zinc/42/89/08/556428908.db2.gz ISMYTEITACEJOM-KRWDZBQOSA-N 0 0 438.962 2.839 50 0 IFAARN Cc1nn(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c(=S)s1 ZINC000012993323 556429240 /nfs/dbraw/zinc/42/92/40/556429240.db2.gz ZQUCQNZELTVBDS-UHFFFAOYSA-N 0 0 449.421 2.709 50 0 IFAARN Cc1cccn2cc(COC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc12 ZINC000014676831 556431974 /nfs/dbraw/zinc/43/19/74/556431974.db2.gz BDZGUUNMPWONBQ-UHFFFAOYSA-N 0 0 431.489 2.926 50 0 IFAARN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012998083 556432185 /nfs/dbraw/zinc/43/21/85/556432185.db2.gz UEYFZXZFIYGLFD-LXGFQCHUSA-N 0 0 449.592 2.606 50 0 IFAARN COc1ccc(-n2ncc(C(=O)NC[C@H]3CCN(c4ccccc4)C3)c2C(F)(F)F)nn1 ZINC000027838646 556434243 /nfs/dbraw/zinc/43/42/43/556434243.db2.gz WWQIITOKCUWYTA-CQSZACIVSA-N 0 0 446.433 2.946 50 0 IFAARN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1nccs1)CC2 ZINC000014733127 556437487 /nfs/dbraw/zinc/43/74/87/556437487.db2.gz NIOXGGRUSRKWLV-UHFFFAOYSA-N 0 0 444.557 2.597 50 0 IFAARN CCn1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccncc3)C2)cn1 ZINC000014733107 556437518 /nfs/dbraw/zinc/43/75/18/556437518.db2.gz NAVFWOXRQOXWKN-OAQYLSRUSA-N 0 0 425.533 2.501 50 0 IFAARN COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2ccccn2)C3)cc1 ZINC000014741231 556438766 /nfs/dbraw/zinc/43/87/66/556438766.db2.gz SPNIECODINPSCM-UHFFFAOYSA-N 0 0 445.523 2.620 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1 ZINC000013020023 556439296 /nfs/dbraw/zinc/43/92/96/556439296.db2.gz RRZJBYDFLMQJHC-UHFFFAOYSA-N 0 0 448.932 2.504 50 0 IFAARN O=C1CCCN1CCCN1C[C@H](OCc2ccccc2)CN(Cc2ccoc2)CC1=O ZINC000014742679 556439328 /nfs/dbraw/zinc/43/93/28/556439328.db2.gz BUCJIWMDKKCJLC-JOCHJYFZSA-N 0 0 425.529 2.522 50 0 IFAARN CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1cncs1)CC2 ZINC000014746967 556441602 /nfs/dbraw/zinc/44/16/02/556441602.db2.gz LERILCBWKMGXKQ-UHFFFAOYSA-N 0 0 426.498 2.772 50 0 IFAARN CC[C@H](C)C(=O)Nc1c2cc(N[C@@H](C)CO)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000014749414 556442658 /nfs/dbraw/zinc/44/26/58/556442658.db2.gz VEEDIMUKVLRSTN-OFQRWUPVSA-N 0 0 432.521 2.779 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCC[C@@H]1c1cccs1 ZINC000013031636 556442897 /nfs/dbraw/zinc/44/28/97/556442897.db2.gz POHYVSVFKUBAFJ-LJQANCHMSA-N 0 0 449.598 2.853 50 0 IFAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc(NC(C)=O)cc1)CC3 ZINC000028059398 556443173 /nfs/dbraw/zinc/44/31/73/556443173.db2.gz DRNOVRDGDJTWPE-UHFFFAOYSA-N 0 0 427.482 2.660 50 0 IFAARN COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(C)sc2C)cc1 ZINC000028058552 556443335 /nfs/dbraw/zinc/44/33/35/556443335.db2.gz NRIIQRKVEHSXTO-INIZCTEOSA-N 0 0 429.585 2.752 50 0 IFAARN COC(=O)c1cccc(S(=O)(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000028057123 556443361 /nfs/dbraw/zinc/44/33/61/556443361.db2.gz GXYNJQINGUMKPA-UHFFFAOYSA-N 0 0 437.827 2.931 50 0 IFAARN C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000014777482 556445115 /nfs/dbraw/zinc/44/51/15/556445115.db2.gz MPQRBDRVBOSSRT-OAHLLOKOSA-N 0 0 445.570 2.994 50 0 IFAARN C[C@@H](C(=O)Nc1c(F)cccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000032860154 556446951 /nfs/dbraw/zinc/44/69/51/556446951.db2.gz YVDWXQRHZMPDLV-KBPBESRZSA-N 0 0 430.455 2.988 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccc(Cl)cc1 ZINC000013041133 556447242 /nfs/dbraw/zinc/44/72/42/556447242.db2.gz YSZXSLMUZXTOIN-OAHLLOKOSA-N 0 0 439.940 2.663 50 0 IFAARN COC(=O)c1cc(CNC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)ccc1OC ZINC000032862523 556447946 /nfs/dbraw/zinc/44/79/46/556447946.db2.gz ISJXNAHCKYVEEG-UHFFFAOYSA-N 0 0 434.876 2.948 50 0 IFAARN O=C(NCc1ccc(Cn2cncn2)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000032868936 556449598 /nfs/dbraw/zinc/44/95/98/556449598.db2.gz SQNFJDDKZKQRBC-UHFFFAOYSA-N 0 0 436.475 2.956 50 0 IFAARN Cc1ccnc2nc(C(=O)N3CCCN(c4ncc(C(F)(F)F)cc4Cl)CC3)nn21 ZINC000032869032 556450198 /nfs/dbraw/zinc/45/01/98/556450198.db2.gz ZUOJHZQPKHFTBY-UHFFFAOYSA-N 0 0 439.829 2.852 50 0 IFAARN Cn1c(COC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)cc(=O)n(C)c1=O ZINC000032865247 556450393 /nfs/dbraw/zinc/45/03/93/556450393.db2.gz HSLARHBHRCSECY-UHFFFAOYSA-N 0 0 427.526 2.930 50 0 IFAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000032865610 556451121 /nfs/dbraw/zinc/45/11/21/556451121.db2.gz KYTQUZPEDKVVAX-JOCHJYFZSA-N 0 0 427.508 2.871 50 0 IFAARN Cc1cccn2cc(CN3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)nc12 ZINC000013063323 556451678 /nfs/dbraw/zinc/45/16/78/556451678.db2.gz RCIBUPPVUVHPCR-UHFFFAOYSA-N 0 0 449.374 2.912 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)c1 ZINC000013063466 556452009 /nfs/dbraw/zinc/45/20/09/556452009.db2.gz NQOJJJDXFNELGY-UHFFFAOYSA-N 0 0 435.619 2.721 50 0 IFAARN CCN1C(=O)C[C@@](CC(=O)N2CCC(COC)CC2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000014878852 556452456 /nfs/dbraw/zinc/45/24/56/556452456.db2.gz MEJQGOSIALTBGG-NRFANRHFSA-N 0 0 440.462 2.997 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3OC)cc(-n3cnnn3)c2)C1 ZINC000014879671 556452787 /nfs/dbraw/zinc/45/27/87/556452787.db2.gz ONEHGVJWJHKTAP-INIZCTEOSA-N 0 0 435.484 2.753 50 0 IFAARN CN(Cc1cccs1)Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)c(=O)[nH]1 ZINC000014879715 556452824 /nfs/dbraw/zinc/45/28/24/556452824.db2.gz WPDHTRBNFKGMSS-MRXNPFEDSA-N 0 0 425.510 2.638 50 0 IFAARN Cc1ccccc1-n1cnn(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1=S ZINC000013069279 556452852 /nfs/dbraw/zinc/45/28/52/556452852.db2.gz ODYFUJKFIMOACJ-UHFFFAOYSA-N 0 0 447.561 2.815 50 0 IFAARN O=C([C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCCN(c2nc3ccccc3o2)CC1 ZINC000014882194 556454145 /nfs/dbraw/zinc/45/41/45/556454145.db2.gz IIVBCDAYUDFFSR-JOCHJYFZSA-N 0 0 448.479 2.983 50 0 IFAARN Cn1c2ccccc2n(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1=S ZINC000013073632 556454589 /nfs/dbraw/zinc/45/45/89/556454589.db2.gz HRSLJOOLFXJMQU-UHFFFAOYSA-N 0 0 438.525 2.951 50 0 IFAARN Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)n1CC(F)(F)F ZINC000013076237 556455627 /nfs/dbraw/zinc/45/56/27/556455627.db2.gz VNHZAVXFQQZYPJ-KKUMJFAQSA-N 0 0 442.434 2.957 50 0 IFAARN O=C(CN1CCN(C(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)CC1)N1CCCCC1 ZINC000072275236 556455789 /nfs/dbraw/zinc/45/57/89/556455789.db2.gz ARYMYBAONQMVCQ-AREMUKBSSA-N 0 0 446.595 2.947 50 0 IFAARN COc1ccc(C[C@@]2(CCC(=O)NC[C@H](C)Oc3cccnc3)CCC(=O)N2)c(F)c1 ZINC000014887591 556455805 /nfs/dbraw/zinc/45/58/05/556455805.db2.gz AMGZZQKVDZXPOP-QMHKHESXSA-N 0 0 429.492 2.785 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000014900006 556456565 /nfs/dbraw/zinc/45/65/65/556456565.db2.gz FCPTUGPIKDESRF-JTQLQIEISA-N 0 0 434.378 2.661 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)NC3CCCCCC3)CC1)OCC(=O)N2 ZINC000032958540 556457304 /nfs/dbraw/zinc/45/73/04/556457304.db2.gz UANUXLNPSNOPLO-UHFFFAOYSA-N 0 0 449.573 2.566 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N2CCCCCC2)C(C)C)c1 ZINC000028649887 556458070 /nfs/dbraw/zinc/45/80/70/556458070.db2.gz NOPXDROCMPKAQA-FQEVSTJZSA-N 0 0 437.606 2.874 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N(C)C3CCCCC3)CC1)OCC(=O)N2 ZINC000032958591 556459184 /nfs/dbraw/zinc/45/91/84/556459184.db2.gz KMRKHEMDIZKIGH-UHFFFAOYSA-N 0 0 449.573 2.518 50 0 IFAARN CSc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000013101473 556460705 /nfs/dbraw/zinc/46/07/05/556460705.db2.gz DTBGYDLZGIPKDY-UHFFFAOYSA-N 0 0 435.571 2.694 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)CCc3c(C)nc(-c4ccncc4)[nH]c3=O)CC2)cc1 ZINC000072278436 556461098 /nfs/dbraw/zinc/46/10/98/556461098.db2.gz GAJMMOKSZHHGKD-UHFFFAOYSA-N 0 0 445.523 2.624 50 0 IFAARN COc1cccc(OC[C@H](O)CNC(=O)c2cc(COc3ccc(F)c(F)c3)on2)c1 ZINC000014954958 556462031 /nfs/dbraw/zinc/46/20/31/556462031.db2.gz FLWQNPDEUWRHLK-CYBMUJFWSA-N 0 0 434.395 2.710 50 0 IFAARN CCCCn1c(-c2ccc(-n3cncn3)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000028901477 556463502 /nfs/dbraw/zinc/46/35/02/556463502.db2.gz RYSOASGXJYJCFE-UHFFFAOYSA-N 0 0 441.495 2.982 50 0 IFAARN CCCCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000013110093 556464253 /nfs/dbraw/zinc/46/42/53/556464253.db2.gz PZCDMYALFUXCQT-UHFFFAOYSA-N 0 0 430.954 2.978 50 0 IFAARN O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013112605 556465261 /nfs/dbraw/zinc/46/52/61/556465261.db2.gz DZNSBDXAUNABGZ-UHFFFAOYSA-N 0 0 440.525 2.669 50 0 IFAARN O=CN1CCCN(C(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)CC1 ZINC000014965053 556465368 /nfs/dbraw/zinc/46/53/68/556465368.db2.gz VRRJYZVXBBTFFM-UHFFFAOYSA-N 0 0 433.556 2.539 50 0 IFAARN CCOC(=O)c1c(NC(=O)Cn2cc(C(=O)OC)ccc2=O)sc2c1CC[C@H](C)C2 ZINC000013113014 556466191 /nfs/dbraw/zinc/46/61/91/556466191.db2.gz GUYWKNSZSPFSPK-LBPRGKRZSA-N 0 0 432.498 2.637 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc(Br)cc1F ZINC000013114876 556467653 /nfs/dbraw/zinc/46/76/53/556467653.db2.gz KAVBHTYXNDGJHW-IBGZPJMESA-N 0 0 432.249 2.920 50 0 IFAARN C[C@@H](NC(=O)CCCn1nnnc1CN1CCC(C)CC1)c1cnn(-c2ccccc2)c1 ZINC000014974378 556468097 /nfs/dbraw/zinc/46/80/97/556468097.db2.gz OFHWZDVEMNBEEF-LJQANCHMSA-N 0 0 436.564 2.748 50 0 IFAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1cnc2c(C)cccc2c1=O)CC3 ZINC000029159919 556468934 /nfs/dbraw/zinc/46/89/34/556468934.db2.gz DARPUIATYMBJDY-UHFFFAOYSA-N 0 0 430.464 2.558 50 0 IFAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2C1 ZINC000029184546 556469565 /nfs/dbraw/zinc/46/95/65/556469565.db2.gz BTCQWFSEEYQFFK-ZACQAIPSSA-N 0 0 445.585 2.528 50 0 IFAARN O=C(CSC1=NCCS1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000029188669 556469668 /nfs/dbraw/zinc/46/96/68/556469668.db2.gz NELXTKPZRFZWHM-UHFFFAOYSA-N 0 0 425.601 2.586 50 0 IFAARN Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)C4=C(C)OCCO4)CC3)c2)s1 ZINC000014978580 556470012 /nfs/dbraw/zinc/47/00/12/556470012.db2.gz WHHDSOSBXNHAIV-UHFFFAOYSA-N 0 0 428.514 2.969 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000029231037 556470259 /nfs/dbraw/zinc/47/02/59/556470259.db2.gz NFEQCDYOFSZMEI-UHFFFAOYSA-N 0 0 443.433 2.864 50 0 IFAARN CCn1c(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)nnc1-c1cccs1 ZINC000013117658 556470373 /nfs/dbraw/zinc/47/03/73/556470373.db2.gz FDQLYOZXCXHOFH-UHFFFAOYSA-N 0 0 448.574 2.651 50 0 IFAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000013117949 556471056 /nfs/dbraw/zinc/47/10/56/556471056.db2.gz DICNFRUSYKAQSX-UHFFFAOYSA-N 0 0 448.504 2.856 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccncc3)C2)cc1Cl ZINC000013119420 556471790 /nfs/dbraw/zinc/47/17/90/556471790.db2.gz YQVFLWRJWGDNCM-MRXNPFEDSA-N 0 0 437.949 2.851 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nnc3ccccn32)c1 ZINC000013120475 556472335 /nfs/dbraw/zinc/47/23/35/556472335.db2.gz IEJZTBDDPWSIBD-UHFFFAOYSA-N 0 0 433.559 2.799 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCNC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 ZINC000029322462 556472319 /nfs/dbraw/zinc/47/23/19/556472319.db2.gz VUUUGNVUCIPKDU-UHFFFAOYSA-N 0 0 429.464 2.834 50 0 IFAARN COc1ccc(-n2nnnc2SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000013120868 556473190 /nfs/dbraw/zinc/47/31/90/556473190.db2.gz CMWGQYIWPLKZOY-UHFFFAOYSA-N 0 0 442.892 2.636 50 0 IFAARN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000029362043 556473207 /nfs/dbraw/zinc/47/32/07/556473207.db2.gz SEOQLPBPWNVDPY-AWEZNQCLSA-N 0 0 426.330 2.747 50 0 IFAARN Cn1c(=O)c2ccsc2nc1SCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000029356627 556473225 /nfs/dbraw/zinc/47/32/25/556473225.db2.gz KQZREJRNVCHJCO-UHFFFAOYSA-N 0 0 442.566 2.964 50 0 IFAARN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000029362042 556473383 /nfs/dbraw/zinc/47/33/83/556473383.db2.gz SEOQLPBPWNVDPY-CQSZACIVSA-N 0 0 426.330 2.747 50 0 IFAARN O=CN1CCN(Cc2ccc(OCC[C@@H]3CCCCN3C(=O)c3cccnc3)cc2)CC1 ZINC000014990729 556474774 /nfs/dbraw/zinc/47/47/74/556474774.db2.gz NGYYTBZMMAATBF-QHCPKHFHSA-N 0 0 436.556 2.819 50 0 IFAARN O=C1COc2ccc(S(=O)(=O)N3CCC[C@@H](c4nc(-c5ccccc5)c[nH]4)C3)cc2N1 ZINC000072284604 556475077 /nfs/dbraw/zinc/47/50/77/556475077.db2.gz WWMUAACROJLLRR-MRXNPFEDSA-N 0 0 438.509 2.976 50 0 IFAARN C[C@H](Oc1ccccc1)C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000014994431 556476891 /nfs/dbraw/zinc/47/68/91/556476891.db2.gz HOYIRDHSGPBIDN-RBBKRZOGSA-N 0 0 448.567 2.826 50 0 IFAARN O=C(c1ccccc1)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000029630200 556478990 /nfs/dbraw/zinc/47/89/90/556478990.db2.gz NTQWFHVGXQFGIL-UHFFFAOYSA-N 0 0 437.359 2.681 50 0 IFAARN CCOc1ccc(CN2CCN(C(=O)CNC(=O)c3ccc(OCC)cc3)CC2)cc1 ZINC000029654777 556479738 /nfs/dbraw/zinc/47/97/38/556479738.db2.gz LWQBGDDXFJZTEW-UHFFFAOYSA-N 0 0 425.529 2.558 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C(C)C)cc1 ZINC000029682574 556479842 /nfs/dbraw/zinc/47/98/42/556479842.db2.gz NLWCPMMUPHADMW-QFIPXVFZSA-N 0 0 437.540 2.871 50 0 IFAARN CC(=O)Nc1ccc2c(c1)OCCOCCOc1cc(NC(C)=O)ccc1OCCO2 ZINC000013136814 556483672 /nfs/dbraw/zinc/48/36/72/556483672.db2.gz NKJAIYNYGWCZQV-UHFFFAOYSA-N 0 0 430.457 2.849 50 0 IFAARN Cc1cc(C(=O)CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)c(C)n1C ZINC000015019768 556487740 /nfs/dbraw/zinc/48/77/40/556487740.db2.gz QMBBRHFNFTZAMX-UHFFFAOYSA-N 0 0 447.586 2.712 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1 ZINC000015020206 556488217 /nfs/dbraw/zinc/48/82/17/556488217.db2.gz LXXOJSHUTNWMJY-UHFFFAOYSA-N 0 0 437.521 2.827 50 0 IFAARN CCn1c2ccc(C(=O)N3CCN(C(=O)Nc4ccc(F)cc4)CC3)cc2nc(C)c1=O ZINC000030256787 556492122 /nfs/dbraw/zinc/49/21/22/556492122.db2.gz MBSUWYIOXDUCDY-UHFFFAOYSA-N 0 0 437.475 2.854 50 0 IFAARN O=C(Nc1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000030257744 556492254 /nfs/dbraw/zinc/49/22/54/556492254.db2.gz SEWVZBCJKDOTAJ-OAHLLOKOSA-N 0 0 428.439 2.694 50 0 IFAARN COCCn1c(CN(C)[C@H](C)c2nc(C)sc2C)cnc1S(=O)(=O)CC1CC1 ZINC000015064923 556492504 /nfs/dbraw/zinc/49/25/04/556492504.db2.gz RNXUCMCORMMTTG-CYBMUJFWSA-N 0 0 426.608 2.980 50 0 IFAARN CN1C(=O)C[C@](CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)(c2cccc(F)c2)C1=O ZINC000015066739 556493126 /nfs/dbraw/zinc/49/31/26/556493126.db2.gz CRAZRKQMRKTGQP-MDRWGITRSA-N 0 0 449.526 2.700 50 0 IFAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cc2c(c(Cl)c1)OCO2 ZINC000011062991 556493626 /nfs/dbraw/zinc/49/36/26/556493626.db2.gz UPPIUFQFWCAWDO-UHFFFAOYSA-N 0 0 438.889 2.531 50 0 IFAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000013164453 556496441 /nfs/dbraw/zinc/49/64/41/556496441.db2.gz YIHLNSFFRQBQBT-KRWDZBQOSA-N 0 0 432.571 2.803 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1 ZINC000030539427 556497387 /nfs/dbraw/zinc/49/73/87/556497387.db2.gz HVMDFJBBKRFPCD-UHFFFAOYSA-N 0 0 432.933 2.804 50 0 IFAARN O=C(c1coc(CN2CCN(c3ncccn3)CC2)n1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000015074815 556498417 /nfs/dbraw/zinc/49/84/17/556498417.db2.gz WBKDWPPXMRMFHM-GOSISDBHSA-N 0 0 436.491 2.556 50 0 IFAARN CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000030624235 556500065 /nfs/dbraw/zinc/50/00/65/556500065.db2.gz DPJHPKRQUJNMEO-QGZVFWFLSA-N 0 0 425.533 2.539 50 0 IFAARN COc1cccc(C(=O)NCC2=NO[C@@H](Cc3cc(OC)c4c(c3OC)OCO4)C2)c1 ZINC000015085685 556502288 /nfs/dbraw/zinc/50/22/88/556502288.db2.gz UFOPPOXINWEJLH-KRWDZBQOSA-N 0 0 428.441 2.559 50 0 IFAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1nnc2ccccn21 ZINC000030712151 556502376 /nfs/dbraw/zinc/50/23/76/556502376.db2.gz HNMHTATWWCVSMN-UHFFFAOYSA-N 0 0 425.445 2.850 50 0 IFAARN COc1ccc([C@H]2[C@@H](C(=O)OC(C)C)[C@](C)(O)CC(=O)[C@H]2C(=O)OC(C)C)cc1OC ZINC000013372591 556503799 /nfs/dbraw/zinc/50/37/99/556503799.db2.gz OKIJXRJWFMQZJO-ISHFTEKXSA-N 0 0 436.501 2.647 50 0 IFAARN Cc1ccc2c(c1)S[C@@H](C(=O)OCc1cccc(S(=O)(=O)N3CCOCC3)c1)C2 ZINC000032879594 556505114 /nfs/dbraw/zinc/50/51/14/556505114.db2.gz XGEKROACWRICFL-HXUWFJFHSA-N 0 0 433.551 2.776 50 0 IFAARN O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000013465451 556506857 /nfs/dbraw/zinc/50/68/57/556506857.db2.gz FEERXLCCEREQFW-FZKCQIBNSA-N 0 0 425.312 2.802 50 0 IFAARN CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000015152445 556506950 /nfs/dbraw/zinc/50/69/50/556506950.db2.gz MGCVPLOUTDHATN-UHFFFAOYSA-N 0 0 448.444 2.844 50 0 IFAARN O=c1c(Cl)c(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cnn1-c1ccccc1 ZINC000015162804 556507282 /nfs/dbraw/zinc/50/72/82/556507282.db2.gz XGMOWDYBNRZEGN-UHFFFAOYSA-N 0 0 448.907 2.536 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(Cl)cc1 ZINC000013494472 556508547 /nfs/dbraw/zinc/50/85/47/556508547.db2.gz JFJFUBBKVDSIQF-UHFFFAOYSA-N 0 0 438.933 2.711 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1nc(C)cs1)n2C ZINC000032882216 556508749 /nfs/dbraw/zinc/50/87/49/556508749.db2.gz YVQPSYPPULBOIO-UHFFFAOYSA-N 0 0 449.602 2.618 50 0 IFAARN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1cccnc1 ZINC000013494706 556508865 /nfs/dbraw/zinc/50/88/65/556508865.db2.gz WDVTYLGUSQRKSY-UHFFFAOYSA-N 0 0 425.510 2.564 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n(C)c1 ZINC000032882886 556509262 /nfs/dbraw/zinc/50/92/62/556509262.db2.gz SEIIPYWGZBTUFQ-MRXNPFEDSA-N 0 0 443.573 2.952 50 0 IFAARN CCOc1cccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000013511655 556510595 /nfs/dbraw/zinc/51/05/95/556510595.db2.gz MTRBQZXFBIDKLC-GOSISDBHSA-N 0 0 433.526 2.932 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1)[C@@H]1CCCO1 ZINC000013516913 556511402 /nfs/dbraw/zinc/51/14/02/556511402.db2.gz SSNLAAFOOCTZLD-PMACEKPBSA-N 0 0 444.509 2.754 50 0 IFAARN COc1cc(C(=O)Nc2nnc(CC(=O)NCc3ccccc3)s2)cc(OC)c1OC ZINC000013550036 556514997 /nfs/dbraw/zinc/51/49/97/556514997.db2.gz ODWZDXXEFFBHDD-UHFFFAOYSA-N 0 0 442.497 2.675 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c1 ZINC000032895462 556515170 /nfs/dbraw/zinc/51/51/70/556515170.db2.gz VYUKFDNPZCVTJM-IBGZPJMESA-N 0 0 447.582 2.871 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)ccc1Cl ZINC000030938960 556515479 /nfs/dbraw/zinc/51/54/79/556515479.db2.gz ICDTXQVCYHMNAQ-KRWDZBQOSA-N 0 0 438.889 2.682 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 ZINC000013554770 556515904 /nfs/dbraw/zinc/51/59/04/556515904.db2.gz JFPWEJKDXXSSSY-WCJKSRRJSA-N 0 0 443.544 2.748 50 0 IFAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NCCCN1CCOCC1 ZINC000013556895 556516788 /nfs/dbraw/zinc/51/67/88/556516788.db2.gz GOWVGEHRJFVPBM-UHFFFAOYSA-N 0 0 434.920 2.543 50 0 IFAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)no1 ZINC000032898909 556517126 /nfs/dbraw/zinc/51/71/26/556517126.db2.gz OSHMANZWQYIQBN-AWEZNQCLSA-N 0 0 431.514 2.870 50 0 IFAARN O=C(Nc1ccccc1N1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000015309355 556518332 /nfs/dbraw/zinc/51/83/32/556518332.db2.gz FOFCQKDWILMVQB-UHFFFAOYSA-N 0 0 429.542 2.950 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1C ZINC000013566167 556518945 /nfs/dbraw/zinc/51/89/45/556518945.db2.gz RNCSBFQVUJYUIK-UHFFFAOYSA-N 0 0 445.541 2.532 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(F)cc2)cc1 ZINC000013565832 556518949 /nfs/dbraw/zinc/51/89/49/556518949.db2.gz BPPITPRLABGEHD-UHFFFAOYSA-N 0 0 429.473 2.741 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NC[C@H]1CCCO1 ZINC000013567053 556520703 /nfs/dbraw/zinc/52/07/03/556520703.db2.gz YNPQHPNNUSWJEK-LJQANCHMSA-N 0 0 444.553 2.811 50 0 IFAARN CCNC(=O)C[C@@H]1C(=O)N(Cc2ccc(F)cc2)C(=S)N1CCc1ccc(OC)cc1 ZINC000015321383 556520724 /nfs/dbraw/zinc/52/07/24/556520724.db2.gz WOIVWEREGUALEA-HXUWFJFHSA-N 0 0 443.544 2.901 50 0 IFAARN CCNC(=O)C[C@H]1C(=O)N(Cc2ccc(F)cc2)C(=S)N1CCc1ccc(OC)cc1 ZINC000015321381 556520754 /nfs/dbraw/zinc/52/07/54/556520754.db2.gz WOIVWEREGUALEA-FQEVSTJZSA-N 0 0 443.544 2.901 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)ccc1OC)C(=O)OC ZINC000043746995 556520780 /nfs/dbraw/zinc/52/07/80/556520780.db2.gz YQDYWYLIQHDLLL-YHJVDBJQSA-N 0 0 430.505 2.672 50 0 IFAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(=O)N[C@H](C)c1nncn1C ZINC000072296089 556520792 /nfs/dbraw/zinc/52/07/92/556520792.db2.gz LETOJNBQVLGWMX-GFCCVEGCSA-N 0 0 427.486 2.536 50 0 IFAARN CCN1CCN(C(=O)[C@@H](C)OC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC1 ZINC000032893195 556521035 /nfs/dbraw/zinc/52/10/35/556521035.db2.gz IXXHGZUBMPXMSW-MRXNPFEDSA-N 0 0 428.508 2.600 50 0 IFAARN COc1cc(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(OC)cc1Cl ZINC000011079963 556521151 /nfs/dbraw/zinc/52/11/51/556521151.db2.gz RJRGFPRSXZQRHZ-OAHLLOKOSA-N 0 0 438.933 2.989 50 0 IFAARN COc1cc(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c(OC)cc1Cl ZINC000011079965 556521157 /nfs/dbraw/zinc/52/11/57/556521157.db2.gz RJRGFPRSXZQRHZ-HNNXBMFYSA-N 0 0 438.933 2.989 50 0 IFAARN CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(OC)cc3OC)C2=O)cc1 ZINC000015333400 556521861 /nfs/dbraw/zinc/52/18/61/556521861.db2.gz HAYUJDHRULTSEC-JOCHJYFZSA-N 0 0 427.457 2.508 50 0 IFAARN C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCN1CCCC1=O ZINC000013571843 556522464 /nfs/dbraw/zinc/52/24/64/556522464.db2.gz MUDHYFHPIKLZIS-ZDUSSCGKSA-N 0 0 432.904 2.831 50 0 IFAARN Cc1ccc2c(CN3CCc4cc(S(=O)(=O)N5CCOCC5)ccc43)cc(=O)oc2c1 ZINC000015401629 556524531 /nfs/dbraw/zinc/52/45/31/556524531.db2.gz HVJRIKUKBAHPJD-UHFFFAOYSA-N 0 0 440.521 2.685 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)c3c[nH]c4ccccc43)CC2)cc1 ZINC000015407042 556524807 /nfs/dbraw/zinc/52/48/07/556524807.db2.gz JQPMTTSJVVYBIB-MRXNPFEDSA-N 0 0 427.526 2.754 50 0 IFAARN COc1ccc(CCn2c(=S)[nH]c(=O)c3c2NCN(C[C@@H]2CCCO2)C3)cc1OC ZINC000013577219 556526831 /nfs/dbraw/zinc/52/68/31/556526831.db2.gz PPCAGCKXXGXXAK-HNNXBMFYSA-N 0 0 432.546 2.530 50 0 IFAARN O=C(NCCc1ccc(F)cc1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000032097466 556528490 /nfs/dbraw/zinc/52/84/90/556528490.db2.gz TVCXBDMLTUEIAL-AWEZNQCLSA-N 0 0 436.413 2.858 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccccc1F ZINC000013590989 556529081 /nfs/dbraw/zinc/52/90/81/556529081.db2.gz JISMPRASKKKLGF-FYXHJSOBSA-N 0 0 428.510 2.999 50 0 IFAARN CCNC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000015503924 556531678 /nfs/dbraw/zinc/53/16/78/556531678.db2.gz AXMPCBSFOYHQIO-GAJHUEQPSA-N 0 0 439.512 2.956 50 0 IFAARN CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000015506134 556531923 /nfs/dbraw/zinc/53/19/23/556531923.db2.gz ZOORSAIISUSPPR-QRQCRPRQSA-N 0 0 432.423 2.764 50 0 IFAARN COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000015512805 556532354 /nfs/dbraw/zinc/53/23/54/556532354.db2.gz GGTQYUUTLFSCBG-LLVKDONJSA-N 0 0 432.951 2.917 50 0 IFAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000015518159 556532612 /nfs/dbraw/zinc/53/26/12/556532612.db2.gz CBDGGJNBUHNWGZ-IBGZPJMESA-N 0 0 434.544 2.731 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000013603279 556533001 /nfs/dbraw/zinc/53/30/01/556533001.db2.gz JSBZIBSZMZQZKI-WPNIOXTASA-N 0 0 440.546 2.868 50 0 IFAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)CN1C[C@H](C(=O)NC)Oc2ccccc21 ZINC000015546656 556534426 /nfs/dbraw/zinc/53/44/26/556534426.db2.gz MWDVEBOGMCNPMT-QGZVFWFLSA-N 0 0 443.525 2.754 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccnc(N4CCCC4)c3)CC2)cc1 ZINC000032902214 556535959 /nfs/dbraw/zinc/53/59/59/556535959.db2.gz QZSOJZMRYCFDJT-UHFFFAOYSA-N 0 0 442.585 2.707 50 0 IFAARN Cc1c(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)oc2cc(O)cc(O)c12 ZINC000013624230 556536499 /nfs/dbraw/zinc/53/64/99/556536499.db2.gz HMEUTNBLZZVDNR-VMPITWQZSA-N 0 0 434.492 2.913 50 0 IFAARN O=C([C@H]1Cc2ccccc2O1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000015604445 556537353 /nfs/dbraw/zinc/53/73/53/556537353.db2.gz QQWVAMAYCSQBRA-GOSISDBHSA-N 0 0 440.443 2.542 50 0 IFAARN CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCCC1 ZINC000015617646 556538724 /nfs/dbraw/zinc/53/87/24/556538724.db2.gz UBDLUCDVZVHZFT-QGZVFWFLSA-N 0 0 442.603 2.697 50 0 IFAARN COc1ccc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1 ZINC000015616965 556538726 /nfs/dbraw/zinc/53/87/26/556538726.db2.gz QFALQOAUTFFGSY-OAHLLOKOSA-N 0 0 447.941 2.921 50 0 IFAARN O=C(Cn1nnc2ccccc2c1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000015629409 556538936 /nfs/dbraw/zinc/53/89/36/556538936.db2.gz FNACVONYQRBWGK-UHFFFAOYSA-N 0 0 439.519 2.725 50 0 IFAARN CCn1c(C(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc2sccc21 ZINC000004435279 556545592 /nfs/dbraw/zinc/54/55/92/556545592.db2.gz OEJITWCMXRNZMZ-UHFFFAOYSA-N 0 0 431.558 2.940 50 0 IFAARN COC(=O)Cn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CC(C)(C)OC3 ZINC000013660858 556546885 /nfs/dbraw/zinc/54/68/85/556546885.db2.gz BBRGJGSFIBRWKU-UHFFFAOYSA-N 0 0 434.901 2.892 50 0 IFAARN O=C(Nc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1)c1cccs1 ZINC000032722134 556547801 /nfs/dbraw/zinc/54/78/01/556547801.db2.gz QXPVJZMHNXJDLG-ZWKOTPCHSA-N 0 0 448.566 2.809 50 0 IFAARN CCOC(=O)CSc1nnc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)s1 ZINC000022961871 556549894 /nfs/dbraw/zinc/54/98/94/556549894.db2.gz MEZFCZGZGJJCQQ-ZDUSSCGKSA-N 0 0 436.515 2.563 50 0 IFAARN COc1ccccc1CNC(=O)CCc1nc2c(C)nn(-c3ccccc3)c2n(C)c1=O ZINC000015779982 556551494 /nfs/dbraw/zinc/55/14/94/556551494.db2.gz RJMFXDNRMCXTDG-UHFFFAOYSA-N 0 0 431.496 2.685 50 0 IFAARN Cc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000032906331 556552096 /nfs/dbraw/zinc/55/20/96/556552096.db2.gz KYVPZSMWIOJPRX-UHFFFAOYSA-N 0 0 438.496 2.965 50 0 IFAARN CCCNC(=O)[C@H](C)OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000015853029 556557630 /nfs/dbraw/zinc/55/76/30/556557630.db2.gz CZDHEWWPDKGNLV-RTGRKSDTSA-N 0 0 442.537 2.909 50 0 IFAARN NC(=O)c1ccccc1Oc1ccc(NC(=O)Cc2csc(N3CCNC3=O)n2)cc1 ZINC000072306428 556560317 /nfs/dbraw/zinc/56/03/17/556560317.db2.gz GLVRPYKPOKUPNQ-UHFFFAOYSA-N 0 0 437.481 2.745 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(Cc4ccc(C)cc4)nn32)cc1 ZINC000015882060 556560819 /nfs/dbraw/zinc/56/08/19/556560819.db2.gz FTDOKQQSXCQAHX-UHFFFAOYSA-N 0 0 436.497 2.864 50 0 IFAARN COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3cccc(F)c3)[nH]c2=O)cc1 ZINC000015882036 556560924 /nfs/dbraw/zinc/56/09/24/556560924.db2.gz BIAWZXOKXJQEGS-UHFFFAOYSA-N 0 0 426.433 2.770 50 0 IFAARN O=C(Cn1nnnc1-c1ccccc1F)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000072307036 556561314 /nfs/dbraw/zinc/56/13/14/556561314.db2.gz PNYKCYMFQARCTN-UHFFFAOYSA-N 0 0 432.341 2.717 50 0 IFAARN Cc1cccc(NC(=O)Nc2cccc3c2N(Cc2cc(=O)n(C)c(=O)n2C)CCC3)c1 ZINC000072308727 556566538 /nfs/dbraw/zinc/56/65/38/556566538.db2.gz DICZARBFJNERCG-UHFFFAOYSA-N 0 0 433.512 2.989 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCC(=O)Nc3cc(F)ccc32)cc1 ZINC000072308950 556568460 /nfs/dbraw/zinc/56/84/60/556568460.db2.gz WOBLDZPDWMAGSR-UHFFFAOYSA-N 0 0 448.520 2.644 50 0 IFAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN23)cc1 ZINC000015974904 556570380 /nfs/dbraw/zinc/57/03/80/556570380.db2.gz ODRSGVPAKCIRNW-MYGLTJDJSA-N 0 0 443.459 2.517 50 0 IFAARN CC1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000015980098 556570930 /nfs/dbraw/zinc/57/09/30/556570930.db2.gz IISKMPUVCCISBT-ROUUACIJSA-N 0 0 436.574 2.769 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccco3)N(C)C)CC2)cc1C ZINC000015988851 556571432 /nfs/dbraw/zinc/57/14/32/556571432.db2.gz MKFQWMZYPLWVNI-FQEVSTJZSA-N 0 0 433.574 2.716 50 0 IFAARN O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015996592 556571833 /nfs/dbraw/zinc/57/18/33/556571833.db2.gz ZPUIQBHQSAJUFT-SUWCGCSTSA-N 0 0 425.847 2.910 50 0 IFAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)cc3n2)cc1 ZINC000015659580 556572160 /nfs/dbraw/zinc/57/21/60/556572160.db2.gz UMFIWXBUQDGNFP-UHFFFAOYSA-N 0 0 433.434 2.786 50 0 IFAARN Cc1nc(NCCc2ccccc2)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000071326508 556572172 /nfs/dbraw/zinc/57/21/72/556572172.db2.gz XNSDPQABFULWTM-UHFFFAOYSA-N 0 0 444.582 2.726 50 0 IFAARN O=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000001230295 556574684 /nfs/dbraw/zinc/57/46/84/556574684.db2.gz GJYTZCIMKRORMQ-UHFFFAOYSA-N 0 0 436.338 2.847 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)c1 ZINC000015821340 556575105 /nfs/dbraw/zinc/57/51/05/556575105.db2.gz PKRHSRULPLPNAU-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(Br)s2)[C@H](C(=O)OCC)C(=O)C[C@]1(C)O ZINC000016948860 556575666 /nfs/dbraw/zinc/57/56/66/556575666.db2.gz FGLPPEJNDKWGHU-FHIRATQRSA-N 0 0 433.320 2.677 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3nc(C4CC4)cs3)CC2)cc1 ZINC000072310485 556576029 /nfs/dbraw/zinc/57/60/29/556576029.db2.gz OLJQQKKWFXLSMC-UHFFFAOYSA-N 0 0 449.598 2.789 50 0 IFAARN CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000032910580 556576549 /nfs/dbraw/zinc/57/65/49/556576549.db2.gz SEPUTKUTLPCDQI-FUHWJXTLSA-N 0 0 448.545 2.578 50 0 IFAARN CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000032910579 556576565 /nfs/dbraw/zinc/57/65/65/556576565.db2.gz SEPUTKUTLPCDQI-SJLPKXTDSA-N 0 0 448.545 2.578 50 0 IFAARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016038014 556577790 /nfs/dbraw/zinc/57/77/90/556577790.db2.gz RESSSVYMVVHWDL-MLHJIOFPSA-N 0 0 427.382 2.706 50 0 IFAARN Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000016045894 556579870 /nfs/dbraw/zinc/57/98/70/556579870.db2.gz OVONCUNOJSHCIE-CQSZACIVSA-N 0 0 426.498 2.585 50 0 IFAARN Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000016045895 556579948 /nfs/dbraw/zinc/57/99/48/556579948.db2.gz OVONCUNOJSHCIE-AWEZNQCLSA-N 0 0 426.498 2.585 50 0 IFAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N(Cc1ccccc1F)C1CC1 ZINC000016046764 556580311 /nfs/dbraw/zinc/58/03/11/556580311.db2.gz UNCQBGSRDUHOFE-OAQYLSRUSA-N 0 0 434.471 2.961 50 0 IFAARN COc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000016051140 556581439 /nfs/dbraw/zinc/58/14/39/556581439.db2.gz TXYIWFMVEYPRPB-UHFFFAOYSA-N 0 0 441.509 2.964 50 0 IFAARN CC1(C)Cc2cccc(OS(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2O1 ZINC000016094107 556582434 /nfs/dbraw/zinc/58/24/34/556582434.db2.gz DHGJUXAFCRJEDF-UHFFFAOYSA-N 0 0 437.539 2.952 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000034856348 556584105 /nfs/dbraw/zinc/58/41/05/556584105.db2.gz KRQIHWBGPUIWED-LJQANCHMSA-N 0 0 427.570 2.669 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)N(C)c3ccccc3)CC2)c(C)c1 ZINC000034889292 556585753 /nfs/dbraw/zinc/58/57/53/556585753.db2.gz FBPZIPSMHQFHHV-HXUWFJFHSA-N 0 0 429.586 2.970 50 0 IFAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000032966846 556587722 /nfs/dbraw/zinc/58/77/22/556587722.db2.gz TWMOTJIYINXRBM-KRWDZBQOSA-N 0 0 432.432 2.988 50 0 IFAARN COc1ccc(-n2nnnc2-c2cnc(-c3ccc(C(N)=O)cc3)nc2C(F)(F)F)cc1 ZINC000016226416 556592701 /nfs/dbraw/zinc/59/27/01/556592701.db2.gz HVOZOYDCXMDGFL-UHFFFAOYSA-N 0 0 441.373 2.913 50 0 IFAARN COc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1S(=O)(=O)NC1CC1 ZINC000032913552 556594074 /nfs/dbraw/zinc/59/40/74/556594074.db2.gz DEKFGPZVESKHCN-UHFFFAOYSA-N 0 0 449.554 3.000 50 0 IFAARN Cc1c(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000016249156 556594523 /nfs/dbraw/zinc/59/45/23/556594523.db2.gz VDSUQFJRMQCWMD-UHFFFAOYSA-N 0 0 448.932 2.543 50 0 IFAARN Cc1nc(NC(=S)NC(=O)COc2ccccc2)ccc1I ZINC000016249911 556594606 /nfs/dbraw/zinc/59/46/06/556594606.db2.gz ZVDPFPBYRSHAFJ-UHFFFAOYSA-N 0 0 427.267 2.887 50 0 IFAARN CCNC(=S)N1CCC([C@@H](NC(=O)c2ccccc2Cl)C(=O)N[C@H](C)CC)CC1 ZINC000036214443 556594841 /nfs/dbraw/zinc/59/48/41/556594841.db2.gz ZEIJIDKLOGEYOY-RDTXWAMCSA-N 0 0 439.025 2.960 50 0 IFAARN COc1ccc(OC)c(CNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000032973946 556596002 /nfs/dbraw/zinc/59/60/02/556596002.db2.gz QHSCWLHPWPPDQN-UHFFFAOYSA-N 0 0 432.542 2.811 50 0 IFAARN COc1ccccc1/C=C1\Oc2ccc(C(=O)NCCCN3CCCC3=O)cc2NC1=O ZINC000032983696 556603675 /nfs/dbraw/zinc/60/36/75/556603675.db2.gz MTGVQAYAAREXSZ-QNGOZBTKSA-N 0 0 435.480 2.810 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1I ZINC000016425294 556606360 /nfs/dbraw/zinc/60/63/60/556606360.db2.gz PYYPCKPDXMTGJT-UHFFFAOYSA-N 0 0 447.250 2.872 50 0 IFAARN COc1ccc(C(=O)CSc2nnc(CCNC(=O)c3ccc(F)cc3)n2C)cc1 ZINC000016448472 556608680 /nfs/dbraw/zinc/60/86/80/556608680.db2.gz DDQMMUZEULZZDL-UHFFFAOYSA-N 0 0 428.489 2.910 50 0 IFAARN COc1ccc(-c2noc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000013494973 556609189 /nfs/dbraw/zinc/60/91/89/556609189.db2.gz HMNALRTVMDKFIV-UHFFFAOYSA-N 0 0 429.429 2.710 50 0 IFAARN CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000016469986 556609705 /nfs/dbraw/zinc/60/97/05/556609705.db2.gz PQKXDHKOYFGGLK-UHFFFAOYSA-N 0 0 430.404 2.736 50 0 IFAARN COc1ccc([C@H](NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c2nccn2C)cc1 ZINC000016474978 556610112 /nfs/dbraw/zinc/61/01/12/556610112.db2.gz LUSHYLDOXMGNGS-IBGZPJMESA-N 0 0 437.525 2.723 50 0 IFAARN CCN1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000016475524 556610394 /nfs/dbraw/zinc/61/03/94/556610394.db2.gz RJTVYTIXUKQBFR-UHFFFAOYSA-N 0 0 449.548 2.502 50 0 IFAARN O=S(=O)(CCN1CCN(c2ccccc2O)CC1)c1ccc(Br)cc1 ZINC000016481293 556611663 /nfs/dbraw/zinc/61/16/63/556611663.db2.gz TYXNIORXVYOQNT-UHFFFAOYSA-N 0 0 425.348 2.751 50 0 IFAARN CCc1ccccc1NC(=O)CCNS(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCC1 ZINC000032996385 556611890 /nfs/dbraw/zinc/61/18/90/556611890.db2.gz JHIFSQBPUDRUAX-UHFFFAOYSA-N 0 0 446.573 2.737 50 0 IFAARN COc1cc(-c2nc(-c3cccc(C(=O)N4CCOCC4)c3)no2)cc(OC)c1OC ZINC000032996638 556612377 /nfs/dbraw/zinc/61/23/77/556612377.db2.gz JITVKGGXJLZAKV-UHFFFAOYSA-N 0 0 425.441 2.902 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc1C ZINC000038530904 556613441 /nfs/dbraw/zinc/61/34/41/556613441.db2.gz LQCONNYXGKMOES-UHFFFAOYSA-N 0 0 429.590 2.903 50 0 IFAARN CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)ccc1Cl ZINC000016591675 556616845 /nfs/dbraw/zinc/61/68/45/556616845.db2.gz VRZXFCXBFYPKKT-NSHDSACASA-N 0 0 427.876 2.803 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000016607002 556616999 /nfs/dbraw/zinc/61/69/99/556616999.db2.gz METOQEBONMBLPG-CNSVBDKNSA-N 0 0 433.533 2.927 50 0 IFAARN Cn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(F)cc1 ZINC000016621618 556618340 /nfs/dbraw/zinc/61/83/40/556618340.db2.gz YXOUYTZIKKZMIL-UHFFFAOYSA-N 0 0 429.433 2.790 50 0 IFAARN CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C[C@H]1COc2ccccc2O1 ZINC000016628171 556618894 /nfs/dbraw/zinc/61/88/94/556618894.db2.gz ZIKGILOTWXCUQG-ZDUSSCGKSA-N 0 0 429.498 2.742 50 0 IFAARN O=C(NC[C@H]1CCCO1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000016647940 556619984 /nfs/dbraw/zinc/61/99/84/556619984.db2.gz XEHWSJXULFAXHV-OAHLLOKOSA-N 0 0 435.373 2.830 50 0 IFAARN O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000016649820 556620322 /nfs/dbraw/zinc/62/03/22/556620322.db2.gz ZOXRJSKYKQNJNO-CABCVRRESA-N 0 0 435.373 2.830 50 0 IFAARN CSc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1C(=O)N1CCOCC1 ZINC000016648903 556620327 /nfs/dbraw/zinc/62/03/27/556620327.db2.gz JLBANQHPITZONW-UHFFFAOYSA-N 0 0 434.539 2.884 50 0 IFAARN Cc1nc2n(c(=O)c1Cc1ccccc1)CN(CCN1CCOCC1)CN2c1ccccc1 ZINC000038829876 556621290 /nfs/dbraw/zinc/62/12/90/556621290.db2.gz VTDNZJOUIOUSCE-UHFFFAOYSA-N 0 0 445.567 2.843 50 0 IFAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(-n3cnnn3)cc2)cs1 ZINC000046552465 556622865 /nfs/dbraw/zinc/62/28/65/556622865.db2.gz QYMKUYPVUPBPNX-UHFFFAOYSA-N 0 0 434.481 2.965 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000016682411 556624583 /nfs/dbraw/zinc/62/45/83/556624583.db2.gz DJXDJULZVXVKIT-YMFQVDJJSA-N 0 0 435.549 2.754 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)n2)cc1OC ZINC000100595243 556630081 /nfs/dbraw/zinc/63/00/81/556630081.db2.gz UZOHNHKUCYISLW-ZIAGYGMSSA-N 0 0 427.482 2.717 50 0 IFAARN CC(C)COc1ccc(-c2nc3s/c(=C4/c5ccccc5N(C)C4=O)c(=O)n3n2)cc1 ZINC000016729011 556631078 /nfs/dbraw/zinc/63/10/78/556631078.db2.gz PAGPKTMEZRJPNG-HNENSFHCSA-N 0 0 432.505 2.747 50 0 IFAARN COc1cc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)ccc1OCC(C)C ZINC000016732760 556631960 /nfs/dbraw/zinc/63/19/60/556631960.db2.gz AEFIHNFVLKZOBX-BKUYFWCQSA-N 0 0 449.532 2.693 50 0 IFAARN Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000097938327 556634221 /nfs/dbraw/zinc/63/42/21/556634221.db2.gz VHWOAWUASYVZCP-UHFFFAOYSA-N 0 0 448.498 2.897 50 0 IFAARN CCCN(C(=O)COc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000033780406 556634708 /nfs/dbraw/zinc/63/47/08/556634708.db2.gz MCVZWRRKBQJZGB-UHFFFAOYSA-N 0 0 442.903 2.643 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N[C@H](C)c3ccccn3)c2=O)cc1 ZINC000097938470 556634983 /nfs/dbraw/zinc/63/49/83/556634983.db2.gz UENWBCBTPVEDEX-QGZVFWFLSA-N 0 0 440.525 2.538 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N[C@@H](C)c3cccnc3)c2=O)cc1 ZINC000097938467 556634986 /nfs/dbraw/zinc/63/49/86/556634986.db2.gz SLQZSKXHNSZJJI-KRWDZBQOSA-N 0 0 440.525 2.538 50 0 IFAARN CC(=O)Nc1cccc(N2C(=O)N[C@H](CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 ZINC000409414644 556640167 /nfs/dbraw/zinc/64/01/67/556640167.db2.gz NRNVCJJIGAFVPN-OAQYLSRUSA-N 0 0 447.495 2.690 50 0 IFAARN CCNc1nc2nn(CC(=O)Nc3ccc(OC(F)F)cc3)c(=S)n2c(NCC)n1 ZINC000016778207 556640706 /nfs/dbraw/zinc/64/07/06/556640706.db2.gz JWVVNURTFMXJTP-UHFFFAOYSA-N 0 0 438.464 2.759 50 0 IFAARN CCNC(=O)CCN(CC(C)C)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000037577269 556643794 /nfs/dbraw/zinc/64/37/94/556643794.db2.gz MCNWZPYRCQUFRF-UHFFFAOYSA-N 0 0 439.560 2.554 50 0 IFAARN CCCNC(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1ccc(C)cc1)C2=O ZINC000037579108 556644089 /nfs/dbraw/zinc/64/40/89/556644089.db2.gz SNVQMJJKWDFECP-UHFFFAOYSA-N 0 0 439.560 2.616 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCOc2ccc3ccccc3c2)c1 ZINC000011717875 556644423 /nfs/dbraw/zinc/64/44/23/556644423.db2.gz OGGFNFKBDRQOGX-UHFFFAOYSA-N 0 0 440.521 2.906 50 0 IFAARN COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719732 556644739 /nfs/dbraw/zinc/64/47/39/556644739.db2.gz RKAPSZHRCQMJNR-OAHLLOKOSA-N 0 0 437.587 2.835 50 0 IFAARN CC(=O)NCCc1ccc(C(=O)COC(=O)Cc2csc(Cc3ccccn3)n2)cc1 ZINC000032922149 556647641 /nfs/dbraw/zinc/64/76/41/556647641.db2.gz MGLHJUARXKNBMB-UHFFFAOYSA-N 0 0 437.521 2.776 50 0 IFAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)N1CCCCCC1 ZINC000016867337 556647714 /nfs/dbraw/zinc/64/77/14/556647714.db2.gz IHUKNMGXNIFZGQ-INIZCTEOSA-N 0 0 440.537 2.561 50 0 IFAARN C[C@@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3ccc(F)cc3)c(=O)c2S1 ZINC000011726688 556647938 /nfs/dbraw/zinc/64/79/38/556647938.db2.gz CTKCQBVXKMIEOW-DOMZBBRYSA-N 0 0 435.546 2.796 50 0 IFAARN CCOc1ccccc1-c1noc(Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)n1 ZINC000038486675 556648816 /nfs/dbraw/zinc/64/88/16/556648816.db2.gz TZGBTVHLFQZDLN-UHFFFAOYSA-N 0 0 447.430 2.672 50 0 IFAARN COc1cc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)ccc1OC(F)F ZINC000016964475 556651366 /nfs/dbraw/zinc/65/13/66/556651366.db2.gz MFZRKSTWCGCARD-IBGZPJMESA-N 0 0 448.422 2.563 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 ZINC000016977708 556652028 /nfs/dbraw/zinc/65/20/28/556652028.db2.gz PUADGDJMWTUKTN-FQEVSTJZSA-N 0 0 442.516 2.863 50 0 IFAARN CCCc1nc(SCC(=O)Nc2cccc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000011758078 556652244 /nfs/dbraw/zinc/65/22/44/556652244.db2.gz XNYKCGZTASXVMW-UHFFFAOYSA-N 0 0 449.536 2.864 50 0 IFAARN Cc1cc(C)cc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)c1 ZINC000011758418 556652663 /nfs/dbraw/zinc/65/26/63/556652663.db2.gz ZUWJCNINSQFUMF-SFHVURJKSA-N 0 0 448.566 2.511 50 0 IFAARN NC(=O)N[C@@H](CC(=O)NCCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000032999648 556653171 /nfs/dbraw/zinc/65/31/71/556653171.db2.gz KIHOWMSTWKZLEC-INIZCTEOSA-N 0 0 448.317 2.679 50 0 IFAARN COc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000011758682 556653440 /nfs/dbraw/zinc/65/34/40/556653440.db2.gz YFZLUNWSUXYUGI-UHFFFAOYSA-N 0 0 449.496 2.908 50 0 IFAARN COC(=O)c1ccc(CNC(=O)C[C@H](NC(N)=O)c2cccc(Br)c2)cc1 ZINC000032999836 556653468 /nfs/dbraw/zinc/65/34/68/556653468.db2.gz LCRQFMKLKIYXQR-INIZCTEOSA-N 0 0 434.290 2.652 50 0 IFAARN COc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1 ZINC000038736373 556654087 /nfs/dbraw/zinc/65/40/87/556654087.db2.gz MGWVRPBAKLHMJW-UHFFFAOYSA-N 0 0 439.472 2.903 50 0 IFAARN CC(C)NC(=O)NC(=O)[C@H](C)Sc1nnc(N2CCC(C)CC2)n1Cc1ccco1 ZINC000011780406 556655215 /nfs/dbraw/zinc/65/52/15/556655215.db2.gz CDGUWOYPXANRRP-HNNXBMFYSA-N 0 0 434.566 2.871 50 0 IFAARN C[C@H](NC(=O)CSc1nnc(N2CCCC2)n1C1CC1)c1ccc2c(c1)OCCO2 ZINC000011780704 556655240 /nfs/dbraw/zinc/65/52/40/556655240.db2.gz ASWPLAQPZQAHPE-AWEZNQCLSA-N 0 0 429.546 2.954 50 0 IFAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 ZINC000011780749 556655256 /nfs/dbraw/zinc/65/52/56/556655256.db2.gz IALICAPZUDOYHG-MRXNPFEDSA-N 0 0 429.546 2.604 50 0 IFAARN CN1OC[C@H](S(=O)(=O)NC[C@@H]2CCCO2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000248018172 556657559 /nfs/dbraw/zinc/65/75/59/556657559.db2.gz DSRILZFVIGYOHB-FDFHNCONSA-N 0 0 432.542 2.651 50 0 IFAARN Cc1nnc2ccc(N3CCC(C(=O)N4CCN(c5cc(C)ccc5C)CC4)CC3)nn12 ZINC000033009893 556657864 /nfs/dbraw/zinc/65/78/64/556657864.db2.gz PKNMBGYVYOWJJK-UHFFFAOYSA-N 0 0 433.560 2.615 50 0 IFAARN Cc1nn(C[C@H](C)C(=O)N2NC(C(F)F)=C[C@]2(O)C(F)F)c(C)c1Br ZINC000017096284 556659954 /nfs/dbraw/zinc/65/99/54/556659954.db2.gz KWAFYYMDIKJKKI-MDAAJZPYSA-N 0 0 429.212 2.706 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)c2cc3c(n2CCC)n(C)c(=O)n(C)c3=O)cc1 ZINC000011845290 556660880 /nfs/dbraw/zinc/66/08/80/556660880.db2.gz IMIRDQLXIWAEIC-UHFFFAOYSA-N 0 0 440.500 2.658 50 0 IFAARN CCOc1ccc(NS(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)cc1 ZINC000011858144 556663205 /nfs/dbraw/zinc/66/32/05/556663205.db2.gz ZIKPVMZDARTHRJ-UHFFFAOYSA-N 0 0 438.527 2.569 50 0 IFAARN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 ZINC000011858220 556663496 /nfs/dbraw/zinc/66/34/96/556663496.db2.gz XDYWYYSCYVEGII-CQSZACIVSA-N 0 0 438.527 2.587 50 0 IFAARN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 ZINC000011858219 556663554 /nfs/dbraw/zinc/66/35/54/556663554.db2.gz XDYWYYSCYVEGII-AWEZNQCLSA-N 0 0 438.527 2.587 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cn4cncn4)cc3)CC2=O)cc1Cl ZINC000011865996 556665682 /nfs/dbraw/zinc/66/56/82/556665682.db2.gz QXHSNYYRCUJZQL-HNNXBMFYSA-N 0 0 425.876 2.980 50 0 IFAARN NS(=O)(=O)c1ccc(CNC(=O)CCS[C@H]2CCc3ccccc3NC2=O)cc1 ZINC000011865950 556665692 /nfs/dbraw/zinc/66/56/92/556665692.db2.gz LUYXVNOPFHXOBR-SFHVURJKSA-N 0 0 433.555 2.677 50 0 IFAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 ZINC000011904096 556670047 /nfs/dbraw/zinc/67/00/47/556670047.db2.gz QUPANXVLTBIYQI-LBPRGKRZSA-N 0 0 428.919 2.762 50 0 IFAARN O=C(NCCc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000011906216 556671494 /nfs/dbraw/zinc/67/14/94/556671494.db2.gz VYHGJIBACDPNQU-QGZVFWFLSA-N 0 0 449.536 2.759 50 0 IFAARN O=C(CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1)Nc1nnc(C(F)(F)F)s1 ZINC000017206122 556673180 /nfs/dbraw/zinc/67/31/80/556673180.db2.gz YWIWRCXWSWRGBU-UHFFFAOYSA-N 0 0 445.442 2.759 50 0 IFAARN Cc1nc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)sc1C(=O)NCC(C)C ZINC000011914124 556673605 /nfs/dbraw/zinc/67/36/05/556673605.db2.gz NFUAECMWAQCQTD-UHFFFAOYSA-N 0 0 429.477 2.775 50 0 IFAARN COc1ccccc1C(=O)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011914541 556673835 /nfs/dbraw/zinc/67/38/35/556673835.db2.gz OMAXLFXATORUDS-LBPRGKRZSA-N 0 0 428.304 2.880 50 0 IFAARN CCOC(=O)CNC(=O)CN1c2ccccc2S[C@@H](c2ccc(OC)cc2)CC1=O ZINC000017297020 556674831 /nfs/dbraw/zinc/67/48/31/556674831.db2.gz XQSKCJHPOGGSRR-LJQANCHMSA-N 0 0 428.510 2.945 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000032932288 556675425 /nfs/dbraw/zinc/67/54/25/556675425.db2.gz FLUCOQTWGLIAGV-UHFFFAOYSA-N 0 0 447.523 2.539 50 0 IFAARN COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3cc(OC)c(OC)c(OC)c3)cc12 ZINC000013523295 556676426 /nfs/dbraw/zinc/67/64/26/556676426.db2.gz WLZGDIHUWDXBGQ-UHFFFAOYSA-N 0 0 442.468 2.544 50 0 IFAARN COCCn1c(=O)c2cc(Br)ccc2nc1S[C@@H]1CCCCNC1=O ZINC000011971855 556678095 /nfs/dbraw/zinc/67/80/95/556678095.db2.gz PMDZJRYAALDLIH-CQSZACIVSA-N 0 0 426.336 2.566 50 0 IFAARN CC(C)C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000248292462 556678583 /nfs/dbraw/zinc/67/85/83/556678583.db2.gz USYYELKQQXPAGF-NJDAHSKKSA-N 0 0 427.520 2.840 50 0 IFAARN COc1ccc(-c2cc(C(=O)Nc3nc(C)cs3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011996941 556678824 /nfs/dbraw/zinc/67/88/24/556678824.db2.gz SCOAPJODHJOVGP-AWEZNQCLSA-N 0 0 432.527 2.936 50 0 IFAARN COc1ccc(-c2cc(C(=O)NCc3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011997002 556679158 /nfs/dbraw/zinc/67/91/58/556679158.db2.gz QQCNIVYCBKHIHT-GOSISDBHSA-N 0 0 425.510 2.848 50 0 IFAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000011997537 556679409 /nfs/dbraw/zinc/67/94/09/556679409.db2.gz NAQCAQULXGISKT-UHFFFAOYSA-N 0 0 435.310 2.861 50 0 IFAARN COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCCCc1ccccc1 ZINC000012016147 556681339 /nfs/dbraw/zinc/68/13/39/556681339.db2.gz VHIYNPJLUCYFLI-UHFFFAOYSA-N 0 0 438.571 2.536 50 0 IFAARN C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000010625474 556681614 /nfs/dbraw/zinc/68/16/14/556681614.db2.gz ULRVXFZYPXNCQY-AWEZNQCLSA-N 0 0 429.498 2.708 50 0 IFAARN COc1cccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)n2)c1 ZINC000044917813 556681852 /nfs/dbraw/zinc/68/18/52/556681852.db2.gz NOOAXMUPXFUTRY-UHFFFAOYSA-N 0 0 438.915 2.921 50 0 IFAARN CCOc1cc(/C=C/C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)ccc1OC(F)F ZINC000062581952 556685013 /nfs/dbraw/zinc/68/50/13/556685013.db2.gz JJJLDEDJNJVLBT-SOFGYWHQSA-N 0 0 432.489 2.582 50 0 IFAARN Cc1nccn1-c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1F ZINC000060322808 556685054 /nfs/dbraw/zinc/68/50/54/556685054.db2.gz KGDOJEFEQQAYBT-GOSISDBHSA-N 0 0 448.545 2.851 50 0 IFAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1 ZINC000033021213 556685842 /nfs/dbraw/zinc/68/58/42/556685842.db2.gz CRRIZLSHPJGGRV-INIZCTEOSA-N 0 0 443.525 2.674 50 0 IFAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1 ZINC000033021211 556685879 /nfs/dbraw/zinc/68/58/79/556685879.db2.gz CRRIZLSHPJGGRV-MRXNPFEDSA-N 0 0 443.525 2.674 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)cc1 ZINC000033021575 556686357 /nfs/dbraw/zinc/68/63/57/556686357.db2.gz CWXHKHFGUVDCOK-JKSUJKDBSA-N 0 0 443.525 2.754 50 0 IFAARN COc1ccc(CNC(=O)C[C@@H](C)Cc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000046005559 556689583 /nfs/dbraw/zinc/68/95/83/556689583.db2.gz JDEHJBXSJBMZMA-INIZCTEOSA-N 0 0 449.486 2.913 50 0 IFAARN COc1ccccc1CNC(=O)C[C@@H](C)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005547 556689643 /nfs/dbraw/zinc/68/96/43/556689643.db2.gz PXLHDAZLGCXWJK-INIZCTEOSA-N 0 0 449.486 2.913 50 0 IFAARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1O ZINC000001080946 556690177 /nfs/dbraw/zinc/69/01/77/556690177.db2.gz YBJWMLQMUPWHFE-XDHOZWIPSA-N 0 0 430.464 2.963 50 0 IFAARN COc1ccccc1OCC(=O)NC[C@@H](NC(=O)COc1ccccc1OC)C(C)(C)C ZINC000252500535 556690862 /nfs/dbraw/zinc/69/08/62/556690862.db2.gz SXIUFUZQQCHFRT-OAQYLSRUSA-N 0 0 444.528 2.809 50 0 IFAARN COc1cccc(OC)c1OC1CCN(c2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000252500904 556691134 /nfs/dbraw/zinc/69/11/34/556691134.db2.gz TYWLKWXALQEFOB-UHFFFAOYSA-N 0 0 447.557 2.931 50 0 IFAARN CC[C@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(C)cc3)ccc21 ZINC000033023775 556693846 /nfs/dbraw/zinc/69/38/46/556693846.db2.gz LXLBHKMMUIMCKJ-INIZCTEOSA-N 0 0 429.546 2.648 50 0 IFAARN CN(C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000252675355 556694507 /nfs/dbraw/zinc/69/45/07/556694507.db2.gz TVOVFUMLBFCUFG-JGGQBBKZSA-N 0 0 440.787 2.740 50 0 IFAARN CC[C@H](C)NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033024436 556695279 /nfs/dbraw/zinc/69/52/79/556695279.db2.gz GPKFTNHADUTECD-LBPRGKRZSA-N 0 0 433.509 2.696 50 0 IFAARN O=C(Nc1cccc(Cl)c1)c1nnc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)s1 ZINC000033024571 556695872 /nfs/dbraw/zinc/69/58/72/556695872.db2.gz XVUPHGZCTWQFAI-UHFFFAOYSA-N 0 0 447.948 2.918 50 0 IFAARN CCCCNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033024953 556698845 /nfs/dbraw/zinc/69/88/45/556698845.db2.gz WHRSUWFXBAVGFX-UHFFFAOYSA-N 0 0 429.546 2.949 50 0 IFAARN COC(=O)c1cccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)c1 ZINC000024260574 556699111 /nfs/dbraw/zinc/69/91/11/556699111.db2.gz IQVAGWZRAAUQFQ-UHFFFAOYSA-N 0 0 428.260 2.808 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000048523218 556700236 /nfs/dbraw/zinc/70/02/36/556700236.db2.gz XYCPRHWDUCLQFN-WOJBJXKFSA-N 0 0 444.553 2.935 50 0 IFAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc21 ZINC000013598317 556701737 /nfs/dbraw/zinc/70/17/37/556701737.db2.gz YYVHBIPISTYJOM-UHFFFAOYSA-N 0 0 434.521 2.583 50 0 IFAARN COc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000033026138 556702217 /nfs/dbraw/zinc/70/22/17/556702217.db2.gz ORNOEOQAMGZZMP-UHFFFAOYSA-N 0 0 435.480 2.684 50 0 IFAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccc(F)cc2)C1 ZINC000072314587 556702543 /nfs/dbraw/zinc/70/25/43/556702543.db2.gz XRLXIHQWGFPPJV-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN CCN(CC)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c(C)c1 ZINC000033027053 556704409 /nfs/dbraw/zinc/70/44/09/556704409.db2.gz TVTPOEOWCNKBDB-UHFFFAOYSA-N 0 0 447.605 2.923 50 0 IFAARN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN([C@H]2CCS(=O)(=O)C2)CO4)cc1 ZINC000013688489 556711358 /nfs/dbraw/zinc/71/13/58/556711358.db2.gz REGLNYFGQJTYBC-INIZCTEOSA-N 0 0 427.478 2.808 50 0 IFAARN O=C(NCCCn1ccnc1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013691581 556711614 /nfs/dbraw/zinc/71/16/14/556711614.db2.gz LOEGQDNMRKFIIN-UHFFFAOYSA-N 0 0 438.981 2.828 50 0 IFAARN CC1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c([N-]S(=O)(=O)c3cccs3)c2)CC1 ZINC000033033284 556714181 /nfs/dbraw/zinc/71/41/81/556714181.db2.gz ULJYPSSKYSNJLL-UHFFFAOYSA-N 0 0 448.614 2.831 50 0 IFAARN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000061717704 556723951 /nfs/dbraw/zinc/72/39/51/556723951.db2.gz SQUUKKPAXCRMNW-KRWDZBQOSA-N 0 0 439.516 2.506 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CSc1ccc(-n3nc(C)cc3C)nn1)CC2 ZINC000011141247 556728316 /nfs/dbraw/zinc/72/83/16/556728316.db2.gz IHCJSJUOVUXGLC-UHFFFAOYSA-N 0 0 439.541 2.973 50 0 IFAARN COc1ccc(NC(=O)COC(=O)COc2ccc(I)cc2)cc1 ZINC000072330991 556728925 /nfs/dbraw/zinc/72/89/25/556728925.db2.gz MHGNDOBRWPYHLB-UHFFFAOYSA-N 0 0 441.221 2.861 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000011145356 556729283 /nfs/dbraw/zinc/72/92/83/556729283.db2.gz DXCKSNXLGDYQDB-UHFFFAOYSA-N 0 0 446.257 2.934 50 0 IFAARN Cc1noc(C)c1CN1CC[NH+](C[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)[O-])CC1 ZINC000061721218 556729585 /nfs/dbraw/zinc/72/95/85/556729585.db2.gz BNEMCCHSVZDLBF-IBGZPJMESA-N 0 0 428.533 2.755 50 0 IFAARN CCOc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccc3OC)CC2)n1 ZINC000054274359 556729727 /nfs/dbraw/zinc/72/97/27/556729727.db2.gz ZHEQZHRLVZWONO-UHFFFAOYSA-N 0 0 435.532 2.927 50 0 IFAARN COc1ccc(Cl)cc1CN1CCN(C(=O)CCC(=O)Nc2nnc(C)s2)CC1 ZINC000013770792 556730711 /nfs/dbraw/zinc/73/07/11/556730711.db2.gz NTHVXJDPUYUSAA-UHFFFAOYSA-N 0 0 437.953 2.572 50 0 IFAARN Cc1c(C(=O)Nc2ccc(C)cc2Cl)nnn1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000071327466 556730742 /nfs/dbraw/zinc/73/07/42/556730742.db2.gz WGTFCRAHDQWFLD-UHFFFAOYSA-N 0 0 441.875 2.846 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)COC(=O)c1cc(Br)ccc1O)c1ccccc1 ZINC000011147813 556730798 /nfs/dbraw/zinc/73/07/98/556730798.db2.gz UPZFJBTXPNQBMJ-GOSISDBHSA-N 0 0 444.285 2.951 50 0 IFAARN COc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000033040043 556731516 /nfs/dbraw/zinc/73/15/16/556731516.db2.gz CDLMWIDPEDSMAM-ZDUSSCGKSA-N 0 0 443.978 2.744 50 0 IFAARN O=C(CSc1ccc2c(c1)OCCCO2)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000019297877 556734750 /nfs/dbraw/zinc/73/47/50/556734750.db2.gz HDHTVDNSECVYBA-INIZCTEOSA-N 0 0 425.572 2.898 50 0 IFAARN CSc1nc(=O)[nH]c(C)c1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000078985003 556737151 /nfs/dbraw/zinc/73/71/51/556737151.db2.gz GDQQJBHXFNDAOU-UHFFFAOYSA-N 0 0 425.308 2.652 50 0 IFAARN Cn1ccnc1Sc1ncc(C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1Cl ZINC000078972321 556737315 /nfs/dbraw/zinc/73/73/15/556737315.db2.gz VSFGSFBMAPXGRI-AWEZNQCLSA-N 0 0 438.937 2.802 50 0 IFAARN CCN(Cc1ccncc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 ZINC000055245320 556738670 /nfs/dbraw/zinc/73/86/70/556738670.db2.gz KAQQRBUTKTYQIO-LJQANCHMSA-N 0 0 434.462 2.840 50 0 IFAARN CCOc1cccc2cc(C(=O)NCCCn3nc(-c4ccco4)ccc3=O)c(=O)oc21 ZINC000013797665 556741598 /nfs/dbraw/zinc/74/15/98/556741598.db2.gz BSBKVZXRJOILFW-UHFFFAOYSA-N 0 0 435.436 2.829 50 0 IFAARN COc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2CCc2ccccc2)cc1 ZINC000005226359 556744778 /nfs/dbraw/zinc/74/47/78/556744778.db2.gz RMVOUKBTADXCAM-UHFFFAOYSA-N 0 0 429.480 2.605 50 0 IFAARN CC[C@@H](OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1)C(=O)Nc1nnc(C)s1 ZINC000005225778 556744802 /nfs/dbraw/zinc/74/48/02/556744802.db2.gz FJXSUUDNDQGLGD-HUUCEWRRSA-N 0 0 436.559 2.659 50 0 IFAARN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(Cc2ccc4c(c2)OCO4)CC1)CC3 ZINC000019372540 556749035 /nfs/dbraw/zinc/74/90/35/556749035.db2.gz CXBSZNOKLYYNQU-UHFFFAOYSA-N 0 0 446.551 2.908 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCCn3ccc4ccccc43)C2=O)cc1 ZINC000206243066 556749468 /nfs/dbraw/zinc/74/94/68/556749468.db2.gz IKFBTFOWLOXBPK-HXUWFJFHSA-N 0 0 434.496 2.667 50 0 IFAARN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000058014400 556753669 /nfs/dbraw/zinc/75/36/69/556753669.db2.gz SWIISZQUNHPCFG-FQEVSTJZSA-N 0 0 425.554 2.703 50 0 IFAARN Cc1nn(C)c2ncc(NC(=O)N3CCN([C@@H](C)C(=O)Nc4cccc(F)c4)CC3)cc12 ZINC000058024686 556754859 /nfs/dbraw/zinc/75/48/59/556754859.db2.gz ASOKDIUDIZEYFA-HNNXBMFYSA-N 0 0 439.495 2.593 50 0 IFAARN COc1cc(C)ccc1Oc1ccc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)cn1 ZINC000058077514 556756482 /nfs/dbraw/zinc/75/64/82/556756482.db2.gz WBCIKTABZWRTQG-UHFFFAOYSA-N 0 0 434.518 2.736 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 ZINC000058066922 556756567 /nfs/dbraw/zinc/75/65/67/556756567.db2.gz RMOPJBDNFBKYJE-NRFANRHFSA-N 0 0 447.495 2.935 50 0 IFAARN O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000058100897 556758263 /nfs/dbraw/zinc/75/82/63/556758263.db2.gz FRNCZDPIKABMTN-UHFFFAOYSA-N 0 0 441.509 2.968 50 0 IFAARN O=C(Cc1csc(-c2ccccn2)n1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000011165019 556759762 /nfs/dbraw/zinc/75/97/62/556759762.db2.gz MDQPZMPFTNBLKI-UHFFFAOYSA-N 0 0 442.566 2.717 50 0 IFAARN O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCC(n2cncn2)CC1 ZINC000058142676 556761390 /nfs/dbraw/zinc/76/13/90/556761390.db2.gz HJGDOMKAUZEKBA-UHFFFAOYSA-N 0 0 429.477 2.695 50 0 IFAARN Cc1ccc([C@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)N2CCN(c3ccccc3)CC2)o1 ZINC000058145690 556761711 /nfs/dbraw/zinc/76/17/11/556761711.db2.gz UTCNWUDRAUXYBX-OAQYLSRUSA-N 0 0 437.544 2.588 50 0 IFAARN CC[C@@H](c1nnc(SCc2nc(-c3ccco3)no2)n1CCN1CCOCC1)N(C)C ZINC000058157164 556762843 /nfs/dbraw/zinc/76/28/43/556762843.db2.gz NTSOKJOHJDDPOU-HNNXBMFYSA-N 0 0 447.565 2.558 50 0 IFAARN COc1ccc(C(=O)NC(C)(C)c2ccc3c(c2)OCO3)cc1S(=O)(=O)NC(C)C ZINC000058157708 556763018 /nfs/dbraw/zinc/76/30/18/556763018.db2.gz PHAOJEDMRQXUIZ-UHFFFAOYSA-N 0 0 434.514 2.776 50 0 IFAARN COc1ccc(-c2cn(CC(=O)Nc3ccc(NC(C)=O)cc3)nc2N2CCOCC2)cc1 ZINC000062006923 556764812 /nfs/dbraw/zinc/76/48/12/556764812.db2.gz PTGGOMLUNRUZFB-UHFFFAOYSA-N 0 0 449.511 2.992 50 0 IFAARN O=C(NCc1cccnc1-n1cncn1)N[C@@H](CN1CCCCCC1=O)c1ccccc1 ZINC000058163146 556766249 /nfs/dbraw/zinc/76/62/49/556766249.db2.gz MACFVKSLFKVMOY-FQEVSTJZSA-N 0 0 433.516 2.605 50 0 IFAARN COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000058163009 556766263 /nfs/dbraw/zinc/76/62/63/556766263.db2.gz FECOCYKPMVXRJR-UHFFFAOYSA-N 0 0 439.516 2.809 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1CN(C)Cc1ccc(F)cc1 ZINC000058169889 556767647 /nfs/dbraw/zinc/76/76/47/556767647.db2.gz KYEULWFFZFIGSZ-UHFFFAOYSA-N 0 0 446.548 2.848 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)Nc1ccccc1C(F)(F)F ZINC000058170330 556767955 /nfs/dbraw/zinc/76/79/55/556767955.db2.gz NHAJIZNGXJIUGF-UHFFFAOYSA-N 0 0 435.402 2.831 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000058170315 556768005 /nfs/dbraw/zinc/76/80/05/556768005.db2.gz HTVTXPMKDBGUJA-UHFFFAOYSA-N 0 0 432.480 2.928 50 0 IFAARN CC(C)N(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058174281 556769149 /nfs/dbraw/zinc/76/91/49/556769149.db2.gz LWLRGMOGMNGVEN-MRXNPFEDSA-N 0 0 433.512 2.897 50 0 IFAARN O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000058175540 556769435 /nfs/dbraw/zinc/76/94/35/556769435.db2.gz FQXFIPOXEYCHCJ-UHFFFAOYSA-N 0 0 434.475 2.629 50 0 IFAARN CC(=O)N[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)C1 ZINC000058179518 556770053 /nfs/dbraw/zinc/77/00/53/556770053.db2.gz JEYQGAHUIIIDGH-FQEVSTJZSA-N 0 0 429.542 2.845 50 0 IFAARN Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000058180311 556770283 /nfs/dbraw/zinc/77/02/83/556770283.db2.gz CRECJWGLGOPOHD-UHFFFAOYSA-N 0 0 446.554 2.649 50 0 IFAARN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000058195507 556770520 /nfs/dbraw/zinc/77/05/20/556770520.db2.gz DFDHCDIHRKMDJU-UHFFFAOYSA-N 0 0 446.916 2.540 50 0 IFAARN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000058209205 556771655 /nfs/dbraw/zinc/77/16/55/556771655.db2.gz ZPVWLOUUMFVEKC-JBVUFVISSA-N 0 0 429.586 2.755 50 0 IFAARN O=C(C[S@@](=O)Cc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000058215779 556772516 /nfs/dbraw/zinc/77/25/16/556772516.db2.gz GFBVDCAMQIRFCB-GDLZYMKVSA-N 0 0 428.432 2.532 50 0 IFAARN CC[C@@](C)(CNC(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)N1CCOCC1 ZINC000058216492 556772552 /nfs/dbraw/zinc/77/25/52/556772552.db2.gz CRXQQJGFRSIMTE-JTSKRJEESA-N 0 0 428.537 2.705 50 0 IFAARN CC[C@@](C)(CNC(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1)N1CCOCC1 ZINC000058216487 556772560 /nfs/dbraw/zinc/77/25/60/556772560.db2.gz CRXQQJGFRSIMTE-VGSWGCGISA-N 0 0 428.537 2.705 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000058248306 556775527 /nfs/dbraw/zinc/77/55/27/556775527.db2.gz LLUHHLZFRVTXHE-OAQYLSRUSA-N 0 0 436.512 2.644 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000058248309 556775756 /nfs/dbraw/zinc/77/57/56/556775756.db2.gz LLUHHLZFRVTXHE-NRFANRHFSA-N 0 0 436.512 2.644 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC000058297786 556778251 /nfs/dbraw/zinc/77/82/51/556778251.db2.gz ZOVJQDWAUCZSGA-SFHVURJKSA-N 0 0 447.479 2.524 50 0 IFAARN Cc1nccc(-c2cccc(NC(=O)NCCNS(=O)(=O)Cc3ccccc3)c2)n1 ZINC000058305284 556778857 /nfs/dbraw/zinc/77/88/57/556778857.db2.gz IPBNVROZCNUJEI-UHFFFAOYSA-N 0 0 425.514 2.693 50 0 IFAARN Cc1nc(COC(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)oc1C ZINC000058306069 556779122 /nfs/dbraw/zinc/77/91/22/556779122.db2.gz UMOIKEOCHVLRHF-UHFFFAOYSA-N 0 0 437.699 2.729 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(Nc4cccnc4)CC3)C2)s1 ZINC000058331294 556781572 /nfs/dbraw/zinc/78/15/72/556781572.db2.gz KGLKMCPGHPKDNT-QGZVFWFLSA-N 0 0 448.614 2.955 50 0 IFAARN COC(=O)c1nc2n(n1)CCCN2S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000058355111 556782476 /nfs/dbraw/zinc/78/24/76/556782476.db2.gz UJIQHPKCYASMSO-UHFFFAOYSA-N 0 0 434.518 2.623 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(COCC(F)(F)F)cc2)C1 ZINC000058405650 556785747 /nfs/dbraw/zinc/78/57/47/556785747.db2.gz XYFFPZQUHSNVCE-KRWDZBQOSA-N 0 0 444.450 2.639 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(COCC(F)(F)F)cc2)C1 ZINC000058405648 556785890 /nfs/dbraw/zinc/78/58/90/556785890.db2.gz XYFFPZQUHSNVCE-QGZVFWFLSA-N 0 0 444.450 2.639 50 0 IFAARN COCCOc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)cc1C ZINC000058440637 556788918 /nfs/dbraw/zinc/78/89/18/556788918.db2.gz XZSGXLYKINPMKO-UHFFFAOYSA-N 0 0 445.541 2.864 50 0 IFAARN O=C(NC[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)Nc1ccccc1 ZINC000058680311 556791195 /nfs/dbraw/zinc/79/11/95/556791195.db2.gz JHTAQDNTAZNRFL-GOSISDBHSA-N 0 0 442.541 2.936 50 0 IFAARN COCc1cccc(CNC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1 ZINC000058970062 556793348 /nfs/dbraw/zinc/79/33/48/556793348.db2.gz MWEROBAGXIMMNZ-FQEVSTJZSA-N 0 0 426.513 2.558 50 0 IFAARN CC1(C)Cc2cccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)c2O1 ZINC000059019990 556794230 /nfs/dbraw/zinc/79/42/30/556794230.db2.gz FZGWZKBAYWMXJH-UHFFFAOYSA-N 0 0 444.553 2.880 50 0 IFAARN CCOc1cccc(CNC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1 ZINC000059059082 556794553 /nfs/dbraw/zinc/79/45/53/556794553.db2.gz RIZLDMYZMSDSPU-IBGZPJMESA-N 0 0 426.513 2.810 50 0 IFAARN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccncc4)c(=O)n32)c1 ZINC000059143990 556795311 /nfs/dbraw/zinc/79/53/11/556795311.db2.gz PDYHPNBIOPMYRX-SRKIZSPNSA-N 0 0 449.532 2.590 50 0 IFAARN Cc1cc(NC(=O)CN2CCN(Cc3c(C)nn(Cc4ccccc4)c3Cl)CC2)no1 ZINC000059374033 556799191 /nfs/dbraw/zinc/79/91/91/556799191.db2.gz FGKQQMPYEPSPLD-UHFFFAOYSA-N 0 0 442.951 2.946 50 0 IFAARN CCOc1ccc(N2C[C@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2=O)cc1 ZINC000002630813 556801096 /nfs/dbraw/zinc/80/10/96/556801096.db2.gz JOKZKVJPNLWUQG-QGZVFWFLSA-N 0 0 434.496 2.875 50 0 IFAARN CCOC(=O)C[C@H](c1c(C)nn(-c2ccc(F)cc2)c1C)c1oc(CO)cc(=O)c1O ZINC000072401990 556801182 /nfs/dbraw/zinc/80/11/82/556801182.db2.gz NLGDRCHRSGOIFC-QGZVFWFLSA-N 0 0 430.432 2.864 50 0 IFAARN Cc1noc([C@@H]2CCCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)C2)n1 ZINC000059589070 556802934 /nfs/dbraw/zinc/80/29/34/556802934.db2.gz CLMDDVLKPJOZKG-MJGOQNOKSA-N 0 0 434.562 2.786 50 0 IFAARN Cc1cc(NC(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 ZINC000002662149 556803093 /nfs/dbraw/zinc/80/30/93/556803093.db2.gz WHCRCCCBACKCRK-DHZHZOJOSA-N 0 0 447.513 2.743 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(I)cc1 ZINC000003216390 556805280 /nfs/dbraw/zinc/80/52/80/556805280.db2.gz LSJLFAYFRVYFKU-UHFFFAOYSA-N 0 0 425.178 2.815 50 0 IFAARN CC(C)[C@H](C(=O)N1CCC(C(=O)Nc2ccccn2)CC1)n1nnc(-c2ccccc2)n1 ZINC000060016589 556805681 /nfs/dbraw/zinc/80/56/81/556805681.db2.gz OWLWULCVYWVSKY-HXUWFJFHSA-N 0 0 433.516 2.810 50 0 IFAARN COc1ccc(/C=C/C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000003279155 556808158 /nfs/dbraw/zinc/80/81/58/556808158.db2.gz XHCZSRZRVJMAQZ-XYOKQWHBSA-N 0 0 426.469 2.666 50 0 IFAARN CC1CCN(c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)n2)CC1 ZINC000061720871 556811276 /nfs/dbraw/zinc/81/12/76/556811276.db2.gz GAZAQNHWFRUQNW-UHFFFAOYSA-N 0 0 427.936 2.973 50 0 IFAARN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)NCc1cccc(F)c1 ZINC000097940867 556811571 /nfs/dbraw/zinc/81/15/71/556811571.db2.gz RZJMMFLRILHEGZ-UHFFFAOYSA-N 0 0 432.477 2.832 50 0 IFAARN COc1ccccc1N1CCN([C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 ZINC000061969838 556812446 /nfs/dbraw/zinc/81/24/46/556812446.db2.gz OSYINLFEOJAFBQ-FQEVSTJZSA-N 0 0 429.586 2.979 50 0 IFAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCc5ccco5)CC4)c3CO2)cc1 ZINC000097943731 556813751 /nfs/dbraw/zinc/81/37/51/556813751.db2.gz MGBDWJVSADOKNY-NRFANRHFSA-N 0 0 449.511 2.620 50 0 IFAARN COc1ccc2c(ccn2CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000072402460 556815717 /nfs/dbraw/zinc/81/57/17/556815717.db2.gz YCDFIPIENICCJF-IBGZPJMESA-N 0 0 441.553 2.867 50 0 IFAARN COc1ccc(NC(=O)c2nnc(C(=O)NCCc3ccc(OC)c(OC)c3)s2)cc1 ZINC000033060132 556816454 /nfs/dbraw/zinc/81/64/54/556816454.db2.gz ZWHJZBCOXGSPGW-UHFFFAOYSA-N 0 0 442.497 2.789 50 0 IFAARN C[C@H]1CCc2nc3ncn(CC(=O)NCc4cccc(Br)c4)c(=O)c3cc2C1 ZINC000033059803 556816461 /nfs/dbraw/zinc/81/64/61/556816461.db2.gz FRELSXYGDRLDKP-ZDUSSCGKSA-N 0 0 441.329 2.995 50 0 IFAARN CCCCN(C(=O)CSc1nc2ccccc2o1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000003535079 556817413 /nfs/dbraw/zinc/81/74/13/556817413.db2.gz QOPPETZAPFSFMC-UHFFFAOYSA-N 0 0 431.518 2.595 50 0 IFAARN COc1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)c(OC)c1 ZINC000033062934 556818231 /nfs/dbraw/zinc/81/82/31/556818231.db2.gz KETLMZYQGRGJIP-UHFFFAOYSA-N 0 0 449.460 2.771 50 0 IFAARN CC(=O)c1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1 ZINC000033062912 556819205 /nfs/dbraw/zinc/81/92/05/556819205.db2.gz FQXSVKLAKPPJJF-UHFFFAOYSA-N 0 0 431.445 2.957 50 0 IFAARN COc1ccc(/C=C\C(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)cc1 ZINC000096488318 556821142 /nfs/dbraw/zinc/82/11/42/556821142.db2.gz YITCRSRYIDHEEZ-UZRURVBFSA-N 0 0 435.542 2.600 50 0 IFAARN COC(=O)c1sc2nc(CN(C)Cc3nonc3C)ccc2c1NC(=O)[C@H]1CCCO1 ZINC000064137239 556822640 /nfs/dbraw/zinc/82/26/40/556822640.db2.gz MHCKKNCNQBFNRO-OAHLLOKOSA-N 0 0 445.501 2.524 50 0 IFAARN O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N[C@H]1CCC[C@H]1Cc1ccco1 ZINC000136607886 556823011 /nfs/dbraw/zinc/82/30/11/556823011.db2.gz AUDRWADRXKYILE-HUUJSLGLSA-N 0 0 437.540 2.695 50 0 IFAARN CCOCCCn1c(SCC(=O)N[C@H](C)COC)nc2sc(C)c(C)c2c1=O ZINC000004790121 556823291 /nfs/dbraw/zinc/82/32/91/556823291.db2.gz OCVCQUMUCJVQEE-GFCCVEGCSA-N 0 0 427.592 2.745 50 0 IFAARN O=C1CCc2cc(S(=O)(=O)NC[C@H](O)c3ccc(C(F)(F)F)cc3)cc3c2N1CC3 ZINC000206659398 556827065 /nfs/dbraw/zinc/82/70/65/556827065.db2.gz ODBOBIMOEVRKPA-KRWDZBQOSA-N 0 0 440.443 2.553 50 0 IFAARN Cc1cccc(CNC(=O)c2nn(C)c3c2CN(S(=O)(=O)Cc2ccccc2)CC3)c1 ZINC000064893201 556828211 /nfs/dbraw/zinc/82/82/11/556828211.db2.gz ZWVNGKLGIHZWFX-UHFFFAOYSA-N 0 0 438.553 2.547 50 0 IFAARN Cc1ccnc(N2CCC[C@@H](C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)C2)n1 ZINC000065001281 556830282 /nfs/dbraw/zinc/83/02/82/556830282.db2.gz ANTYOUHZEDDGGV-LJQANCHMSA-N 0 0 442.995 2.593 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)cc1OC ZINC000019604455 556831083 /nfs/dbraw/zinc/83/10/83/556831083.db2.gz DWWGEJGGTTYZBI-UHFFFAOYSA-N 0 0 449.573 2.850 50 0 IFAARN COC(=O)CCCC(=O)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000019607874 556831444 /nfs/dbraw/zinc/83/14/44/556831444.db2.gz RYHJJDIKDOOIQA-JOCHJYFZSA-N 0 0 443.588 2.693 50 0 IFAARN COc1ccc2nc(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)sc2c1 ZINC000019631901 556832715 /nfs/dbraw/zinc/83/27/15/556832715.db2.gz VSYKEBWZACKRIZ-UHFFFAOYSA-N 0 0 440.525 2.790 50 0 IFAARN c1ccc(N2CCN(Cc3nnc4sc(-c5ccc6c(c5)OCCO6)nn34)CC2)cc1 ZINC000065362865 556834661 /nfs/dbraw/zinc/83/46/61/556834661.db2.gz KDFSAEHFDPINLV-UHFFFAOYSA-N 0 0 434.525 2.946 50 0 IFAARN CN1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000019635500 556834881 /nfs/dbraw/zinc/83/48/81/556834881.db2.gz WOUCWXABZGKEEF-UHFFFAOYSA-N 0 0 442.368 2.963 50 0 IFAARN O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCN(C(=O)c2ccco2)CC1 ZINC000062579954 556835466 /nfs/dbraw/zinc/83/54/66/556835466.db2.gz ZDWDUTKSFZNGPK-UHFFFAOYSA-N 0 0 434.378 2.869 50 0 IFAARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2=O)cc1 ZINC000334160586 556836724 /nfs/dbraw/zinc/83/67/24/556836724.db2.gz HYGFVVATFIWZFC-SFHVURJKSA-N 0 0 444.532 2.704 50 0 IFAARN C[C@H]1CN(c2ccccc2NC(=O)NCCNS(=O)(=O)Cc2ccccc2)C[C@H](C)O1 ZINC000062580900 556836771 /nfs/dbraw/zinc/83/67/71/556836771.db2.gz RVHRNLKEYXCGMR-ROUUACIJSA-N 0 0 446.573 2.541 50 0 IFAARN COc1ccc(NC(=O)c2ccn(-c3nc(-c4cnn(C)c4)cc(C(F)(F)F)n3)n2)cn1 ZINC000019640021 556836864 /nfs/dbraw/zinc/83/68/64/556836864.db2.gz DQQYMGVBFIYCIQ-UHFFFAOYSA-N 0 0 444.377 2.738 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000072404800 556837814 /nfs/dbraw/zinc/83/78/14/556837814.db2.gz YSOMCXAZQBOZKI-INIZCTEOSA-N 0 0 430.936 2.885 50 0 IFAARN COc1ccc(-c2cc(C(=O)Nc3ccc(OC)nc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000072405388 556840649 /nfs/dbraw/zinc/84/06/49/556840649.db2.gz BOYWVYQYZJUWKI-MRXNPFEDSA-N 0 0 442.497 2.574 50 0 IFAARN COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1OC ZINC000008713568 556843037 /nfs/dbraw/zinc/84/30/37/556843037.db2.gz BEDGMYYFWLMCAP-LBPRGKRZSA-N 0 0 430.482 2.610 50 0 IFAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000008725931 556843469 /nfs/dbraw/zinc/84/34/69/556843469.db2.gz DKMLPOJMZFLXLC-UHFFFAOYSA-N 0 0 448.552 2.941 50 0 IFAARN Cc1cc(C)n(-c2ccc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nn2)n1 ZINC000067613511 556844402 /nfs/dbraw/zinc/84/44/02/556844402.db2.gz WZWYOYNJKOETMH-UHFFFAOYSA-N 0 0 426.908 2.660 50 0 IFAARN Cc1nc2ccc(S(=O)(=O)NCCNc3cc(-n4ccnc4C)nc(C)n3)cc2s1 ZINC000096817331 556846731 /nfs/dbraw/zinc/84/67/31/556846731.db2.gz ZXXQSGWYFXZZEE-UHFFFAOYSA-N 0 0 443.558 2.588 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2c3ccccc3oc2C(N)=O)cc1 ZINC000008892782 556851147 /nfs/dbraw/zinc/85/11/47/556851147.db2.gz OCYADSRURSNXSJ-MRXNPFEDSA-N 0 0 427.482 2.632 50 0 IFAARN O=C(Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(F)cc1 ZINC000033077231 556854200 /nfs/dbraw/zinc/85/42/00/556854200.db2.gz ANGXMZDYTJUPQX-UHFFFAOYSA-N 0 0 429.473 2.564 50 0 IFAARN Cc1cccc(NC(=O)Cn2c(=O)ccc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000033077260 556854476 /nfs/dbraw/zinc/85/44/76/556854476.db2.gz PWDAQCWQRPEPEK-UHFFFAOYSA-N 0 0 425.510 2.733 50 0 IFAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OCC ZINC000033088093 556855920 /nfs/dbraw/zinc/85/59/20/556855920.db2.gz HNSCAPSFROLPOB-OAHLLOKOSA-N 0 0 433.472 2.890 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3noc(C)n3)ccc2C)CC1 ZINC000033086391 556856912 /nfs/dbraw/zinc/85/69/12/556856912.db2.gz CNOCCYSYSRSCES-UHFFFAOYSA-N 0 0 428.514 2.873 50 0 IFAARN CCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)N4CCCCC4)CC3)c2)no1 ZINC000033086583 556857112 /nfs/dbraw/zinc/85/71/12/556857112.db2.gz XMYIJYVVZJCDGW-UHFFFAOYSA-N 0 0 432.546 2.712 50 0 IFAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)c2)no1 ZINC000033086659 556857138 /nfs/dbraw/zinc/85/71/38/556857138.db2.gz CRBIGYHDYLYOOP-UHFFFAOYSA-N 0 0 432.546 2.813 50 0 IFAARN Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3cccc(-c4noc(C)n4)c3)CC2)n1 ZINC000033086502 556857238 /nfs/dbraw/zinc/85/72/38/556857238.db2.gz MLJACUGOMJFHPF-UHFFFAOYSA-N 0 0 447.542 2.849 50 0 IFAARN O=C(c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCC2(CC1)OCCO2 ZINC000033088596 556858033 /nfs/dbraw/zinc/85/80/33/556858033.db2.gz KSFWIRJAYRULJJ-UHFFFAOYSA-N 0 0 439.419 2.851 50 0 IFAARN O=C(Nc1ccccc1F)c1nnc(COc2ccc(C(=O)N3CCOCC3)cc2)s1 ZINC000033114316 556861166 /nfs/dbraw/zinc/86/11/66/556861166.db2.gz NRFZHWIABXYOOI-UHFFFAOYSA-N 0 0 442.472 2.981 50 0 IFAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1cc(OC)ccc1OC ZINC000033124806 556864273 /nfs/dbraw/zinc/86/42/73/556864273.db2.gz DGMYDJLMWXGCNZ-IBGZPJMESA-N 0 0 441.459 2.863 50 0 IFAARN CCc1nc2cccnc2n1CCN1CCN(C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000033139816 556874947 /nfs/dbraw/zinc/87/49/47/556874947.db2.gz LPBBOROWWUMPIR-UHFFFAOYSA-N 0 0 438.532 2.861 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2cccc(F)c2)c1=O ZINC000033141031 556877166 /nfs/dbraw/zinc/87/71/66/556877166.db2.gz DXFYIJONQCSPRI-UHFFFAOYSA-N 0 0 445.520 2.798 50 0 IFAARN COc1cc(=O)n2c(c1C(=O)N1CCSCC1)CCN(Cc1ccccc1Cl)CC2 ZINC000019739952 556879357 /nfs/dbraw/zinc/87/93/57/556879357.db2.gz DMBLNIRKQHQNRB-UHFFFAOYSA-N 0 0 447.988 2.758 50 0 IFAARN O=C([C@H]1CCC(=O)N(CCCN2CCOCC2)C1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000019740429 556880555 /nfs/dbraw/zinc/88/05/55/556880555.db2.gz UYFPLSBKGSVQCQ-QFIPXVFZSA-N 0 0 437.584 2.535 50 0 IFAARN COc1ccc(CNC(=O)c2snc(C(=O)NCc3cccc(OC)c3)c2N)cc1 ZINC000033171922 556882839 /nfs/dbraw/zinc/88/28/39/556882839.db2.gz DTNQOYOSDWEYKE-UHFFFAOYSA-N 0 0 426.498 2.603 50 0 IFAARN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000033170665 556886311 /nfs/dbraw/zinc/88/63/11/556886311.db2.gz YLTNOTXOFAGWHT-DZFYGRHCSA-N 0 0 435.502 2.578 50 0 IFAARN COCCCNC(=O)[C@@H](O[C@H](C(=O)NCCCOC)c1ccccc1)c1ccccc1 ZINC000071769662 556887849 /nfs/dbraw/zinc/88/78/49/556887849.db2.gz DSGZECHHOYTDCO-VXKWHMMOSA-N 0 0 428.529 2.791 50 0 IFAARN Cc1cc(=O)c(C(=O)N2CCCC2)c(Cc2cccc(F)c2)n1CCCN1CCOCC1 ZINC000019743413 556887950 /nfs/dbraw/zinc/88/79/50/556887950.db2.gz OPKUWIFWEXKQDY-UHFFFAOYSA-N 0 0 441.547 2.845 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3ccccc3)CC2)cc1 ZINC000033254594 556890732 /nfs/dbraw/zinc/89/07/32/556890732.db2.gz QGVRQOGLLUJQCS-UHFFFAOYSA-N 0 0 429.542 2.752 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)N[C@H](C)Cc3ccco3)CC2)cc1 ZINC000033254640 556890849 /nfs/dbraw/zinc/89/08/49/556890849.db2.gz LZMRYMGVKDVBJA-MRXNPFEDSA-N 0 0 447.557 2.776 50 0 IFAARN O=C(NCc1ccccc1Cl)c1ccc(CN2CC(=O)N3CSC[C@@H]3C2=O)cc1 ZINC000033249808 556891036 /nfs/dbraw/zinc/89/10/36/556891036.db2.gz MPGFAHUDEOWCHV-GOSISDBHSA-N 0 0 429.929 2.514 50 0 IFAARN CN(C)c1ccc(N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)nn1 ZINC000033256275 556895201 /nfs/dbraw/zinc/89/52/01/556895201.db2.gz YPLJHJDGFSSHTM-UHFFFAOYSA-N 0 0 428.968 2.761 50 0 IFAARN Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1C ZINC000033261995 556900116 /nfs/dbraw/zinc/90/01/16/556900116.db2.gz ANGFUSWJVIJSIV-HNAYVOBHSA-N 0 0 443.525 2.815 50 0 IFAARN CCCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033263333 556901519 /nfs/dbraw/zinc/90/15/19/556901519.db2.gz JXKDRIBRKLNHRQ-LBPRGKRZSA-N 0 0 435.937 2.822 50 0 IFAARN CSc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 ZINC000010663270 556905271 /nfs/dbraw/zinc/90/52/71/556905271.db2.gz OSZUUQGAUSXFOL-UHFFFAOYSA-N 0 0 429.951 2.813 50 0 IFAARN CCCS(=O)(=O)c1ncc(CN2CCN(C3CCCCC3)CC2)n1C[C@@H]1CCCO1 ZINC000019787905 556914171 /nfs/dbraw/zinc/91/41/71/556914171.db2.gz XSXHTIHHQMVHJY-NRFANRHFSA-N 0 0 438.638 2.696 50 0 IFAARN COc1cc(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1O ZINC000019789502 556914506 /nfs/dbraw/zinc/91/45/06/556914506.db2.gz NWWFYSHJIMQKBD-UHFFFAOYSA-N 0 0 432.517 2.753 50 0 IFAARN Cc1c(Cl)cccc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000019810690 556918956 /nfs/dbraw/zinc/91/89/56/556918956.db2.gz BLEWJKYJHLYSKM-UHFFFAOYSA-N 0 0 435.977 2.759 50 0 IFAARN CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)CC1 ZINC000019831072 556926452 /nfs/dbraw/zinc/92/64/52/556926452.db2.gz YXAMUPZTXUTTFO-OAHLLOKOSA-N 0 0 430.835 2.762 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)Cc2ccc(Cl)cc2)cc1 ZINC000019849761 556930394 /nfs/dbraw/zinc/93/03/94/556930394.db2.gz AAUJXLJVFJSECN-UHFFFAOYSA-N 0 0 435.977 2.613 50 0 IFAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)N1CCc2ccccc2C1 ZINC000019852534 556930861 /nfs/dbraw/zinc/93/08/61/556930861.db2.gz PXONEPNGCRBHKC-UHFFFAOYSA-N 0 0 449.580 2.777 50 0 IFAARN Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000019858078 556931766 /nfs/dbraw/zinc/93/17/66/556931766.db2.gz UWHAXHWWNXETPR-QGZVFWFLSA-N 0 0 430.526 2.947 50 0 IFAARN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000019859173 556932109 /nfs/dbraw/zinc/93/21/09/556932109.db2.gz WOQQDGKLOSGFNC-UHFFFAOYSA-N 0 0 431.533 2.707 50 0 IFAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(O)c2)N1CCCN1CCOCC1 ZINC000019861573 556933962 /nfs/dbraw/zinc/93/39/62/556933962.db2.gz AXKVJTFILDQATN-OAQYLSRUSA-N 0 0 438.455 2.905 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000019865976 556934458 /nfs/dbraw/zinc/93/44/58/556934458.db2.gz IYWDHRBFZWIBLD-UHFFFAOYSA-N 0 0 432.307 2.934 50 0 IFAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000019880897 556936991 /nfs/dbraw/zinc/93/69/91/556936991.db2.gz GVINMWYBWOGXFB-NHCUHLMSSA-N 0 0 436.512 2.776 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c(C)c1 ZINC000019891139 556939442 /nfs/dbraw/zinc/93/94/42/556939442.db2.gz KYJRGMDCAKWGPR-UHFFFAOYSA-N 0 0 447.543 2.861 50 0 IFAARN Cc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(C(=O)c3ccco3)CC2)n1 ZINC000019899245 556941481 /nfs/dbraw/zinc/94/14/81/556941481.db2.gz QFFXWNZIYGCVJR-UHFFFAOYSA-N 0 0 427.896 2.710 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)c(C)c1 ZINC000019938279 556952187 /nfs/dbraw/zinc/95/21/87/556952187.db2.gz XQSHQWZBFRIAGE-UHFFFAOYSA-N 0 0 445.585 2.865 50 0 IFAARN COc1ccc(CCN2C(=O)[C@](NC(C)=O)(C(F)(F)F)N=C2c2ccccc2)cc1OC ZINC000019939465 556953208 /nfs/dbraw/zinc/95/32/08/556953208.db2.gz JZKGRGFQTZXXMK-OAQYLSRUSA-N 0 0 449.429 2.930 50 0 IFAARN O=C(NCCc1csc(-c2ccncc2)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000019942523 556953544 /nfs/dbraw/zinc/95/35/44/556953544.db2.gz TZOJUXBCALPAEW-UHFFFAOYSA-N 0 0 442.566 2.962 50 0 IFAARN COCc1c(C(=O)NCCN2CCOCC2)c(=O)cc(C)n1Cc1cccc2ccccc21 ZINC000019958053 556954950 /nfs/dbraw/zinc/95/49/50/556954950.db2.gz DXPWLJWFCPFAPH-UHFFFAOYSA-N 0 0 449.551 2.567 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)NCCc3ccc4c(c3)OCCO4)c(C)n2n1 ZINC000020006198 556958416 /nfs/dbraw/zinc/95/84/16/556958416.db2.gz PBJBFKHMWPZJAD-UHFFFAOYSA-N 0 0 427.530 2.526 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000020018478 556963385 /nfs/dbraw/zinc/96/33/85/556963385.db2.gz XEKHSKMFWVOQQA-VMPITWQZSA-N 0 0 447.988 2.964 50 0 IFAARN Cc1nn(C)cc1CN1CCN(C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)CC1 ZINC000020028551 556967530 /nfs/dbraw/zinc/96/75/30/556967530.db2.gz RDHFSIVSOFTPJP-CYBMUJFWSA-N 0 0 432.878 2.811 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000020029414 556968361 /nfs/dbraw/zinc/96/83/61/556968361.db2.gz OGSIYSLYFZJQBT-FQEVSTJZSA-N 0 0 444.532 2.881 50 0 IFAARN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Br)cc2F)Oc2ccccc21 ZINC000020041360 556971987 /nfs/dbraw/zinc/97/19/87/556971987.db2.gz ZDCJQPKJOUZYBI-HNNXBMFYSA-N 0 0 429.267 2.754 50 0 IFAARN Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nn2)nc1 ZINC000072434322 556972280 /nfs/dbraw/zinc/97/22/80/556972280.db2.gz MWBNHOBHZMZBEI-UHFFFAOYSA-N 0 0 446.483 2.713 50 0 IFAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3cnc(C)c3C)ncn2)CC1 ZINC000072437134 556972655 /nfs/dbraw/zinc/97/26/55/556972655.db2.gz QNFBAUZUDHDZLT-UHFFFAOYSA-N 0 0 426.908 2.904 50 0 IFAARN Cc1ncn(-c2cc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc(C)n2)c1C ZINC000072437513 556972776 /nfs/dbraw/zinc/97/27/76/556972776.db2.gz FZUFGXWTZGXMFF-UHFFFAOYSA-N 0 0 429.528 2.960 50 0 IFAARN Cc1ncn(-c2cc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)ncn2)c1C ZINC000072442357 556973403 /nfs/dbraw/zinc/97/34/03/556973403.db2.gz FHTLYTVCESTCPG-UHFFFAOYSA-N 0 0 426.908 2.660 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000020046225 556973406 /nfs/dbraw/zinc/97/34/06/556973406.db2.gz GJPWSVIKTFSICJ-UHFFFAOYSA-N 0 0 429.586 2.577 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1cccc(C)c1)[C@@](C)(C(=O)NCc1ccccc1)C2 ZINC000033265929 556976679 /nfs/dbraw/zinc/97/66/79/556976679.db2.gz NYCBPRGKLRUOJM-RUZDIDTESA-N 0 0 446.507 2.709 50 0 IFAARN COCCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)cc1 ZINC000020069112 556978420 /nfs/dbraw/zinc/97/84/20/556978420.db2.gz UWVHMCFILZXESM-RTBURBONSA-N 0 0 439.541 2.866 50 0 IFAARN CC[C@]1(C)Cc2c(sc3nnn(CC(=O)Nc4ccc(C(C)=O)cc4)c(=O)c32)CO1 ZINC000020100279 556980019 /nfs/dbraw/zinc/98/00/19/556980019.db2.gz MOSZJAVPHSWNFL-OAQYLSRUSA-N 0 0 426.498 2.936 50 0 IFAARN O=S1(=O)CCN(C2CCN(Cc3ccc(Br)c4cccnc34)CC2)CC1 ZINC000097094641 556984085 /nfs/dbraw/zinc/98/40/85/556984085.db2.gz GEFGONSKVSBFEY-UHFFFAOYSA-N 0 0 438.391 2.692 50 0 IFAARN O=C1[C@H](N2CCCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CCN1Cc1ccccc1 ZINC000097096469 556984276 /nfs/dbraw/zinc/98/42/76/556984276.db2.gz XMTIHYFNOHYIRH-OAQYLSRUSA-N 0 0 447.988 2.838 50 0 IFAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@@]2(C1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000097096651 556984365 /nfs/dbraw/zinc/98/43/65/556984365.db2.gz CEFMIIVSUFCCHP-QFIPXVFZSA-N 0 0 441.871 2.796 50 0 IFAARN COC(=O)c1cc(Br)c(CN2CCC(NC(=O)c3ccccc3)CC2)n1C ZINC000097105611 556987852 /nfs/dbraw/zinc/98/78/52/556987852.db2.gz RCPXSZKDZXDDNJ-UHFFFAOYSA-N 0 0 434.334 2.969 50 0 IFAARN O=C(c1ccc(OC(F)(F)F)cc1)N1C[C@@H]2C[C@H]1C[C@@H]2NS(=O)(=O)c1cccnc1 ZINC000097139606 556991951 /nfs/dbraw/zinc/99/19/51/556991951.db2.gz BUOWKUHDDWDJIN-ZQIUZPCESA-N 0 0 441.431 2.562 50 0 IFAARN CCOc1ccc(OCCNC(=O)COC(=O)[C@H]2CCCCN2Cc2cccnc2)cc1 ZINC000097164524 556994551 /nfs/dbraw/zinc/99/45/51/556994551.db2.gz YPMFFUYCHVGRIH-JOCHJYFZSA-N 0 0 441.528 2.573 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2cnn(-c3ccccc3)c2)C1=O ZINC000010677392 556996600 /nfs/dbraw/zinc/99/66/00/556996600.db2.gz MVPZIDJVEHZZEC-DEOSSOPVSA-N 0 0 431.496 2.688 50 0 IFAARN O=C(OCCOc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000011244159 556998419 /nfs/dbraw/zinc/99/84/19/556998419.db2.gz IPSHNXIPWQJLMR-UHFFFAOYSA-N 0 0 425.453 2.988 50 0 IFAARN COc1ccnc(CN2CCC3(CN(CCOc4ccccc4)C(=O)O3)CC2)c1OC ZINC000077535717 556999635 /nfs/dbraw/zinc/99/96/35/556999635.db2.gz SWUFYZWTFMISIR-UHFFFAOYSA-N 0 0 427.501 2.965 50 0 IFAARN Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCN2CCOCC2)cc1 ZINC000020230937 557001781 /nfs/dbraw/zinc/00/17/81/557001781.db2.gz AHIRZCQIILQGPR-QJOMJCCJSA-N 0 0 446.551 2.706 50 0 IFAARN COc1cccc([C@H](CNS(=O)(=O)c2cc(C)c(C)cc2OC)N2CCOCC2)c1 ZINC000023108068 557002433 /nfs/dbraw/zinc/00/24/33/557002433.db2.gz CGKZKXUJOKZPMG-FQEVSTJZSA-N 0 0 434.558 2.672 50 0 IFAARN COCCCn1c(CN(C)C[C@@H]2CCCCN2C)cnc1S(=O)(=O)C1CCCC1 ZINC000020256114 557003808 /nfs/dbraw/zinc/00/38/08/557003808.db2.gz SJOXLSYDRHQVRM-SFHVURJKSA-N 0 0 426.627 2.552 50 0 IFAARN CNC(=O)NC(=O)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1Cc1ccccc1 ZINC000097998273 557004330 /nfs/dbraw/zinc/00/43/30/557004330.db2.gz HZCGFGHYFHXVRA-LDADJPATSA-N 0 0 438.509 2.623 50 0 IFAARN COc1ccccc1[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1CCN1CCOCC1 ZINC000020308171 557006592 /nfs/dbraw/zinc/00/65/92/557006592.db2.gz CXJGTGXRIKEMPK-QFIPXVFZSA-N 0 0 434.492 2.987 50 0 IFAARN COc1cc2[nH]c3c(ncn(CC(=O)NCc4ccc(Cl)cc4)c3=O)c2cc1OC ZINC000023125997 557007622 /nfs/dbraw/zinc/00/76/22/557007622.db2.gz TVLXMRFCKAGCTO-UHFFFAOYSA-N 0 0 426.860 2.865 50 0 IFAARN Cc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1N1CCOCC1)S(C)(=O)=O ZINC000023123308 557008601 /nfs/dbraw/zinc/00/86/01/557008601.db2.gz SFONICRVXCJHIR-UHFFFAOYSA-N 0 0 437.949 2.890 50 0 IFAARN COCc1nn2c(c1-c1ccccc1)NC(=O)[C@H]2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000072453368 557009769 /nfs/dbraw/zinc/00/97/69/557009769.db2.gz DAPTZHGJZZUVKN-QGZVFWFLSA-N 0 0 434.452 2.990 50 0 IFAARN CCc1ccccc1N(CC(=O)N1CCN(CC)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000020363217 557011897 /nfs/dbraw/zinc/01/18/97/557011897.db2.gz HSLCIPJCJUAPDK-UHFFFAOYSA-N 0 0 429.586 2.917 50 0 IFAARN CN1CCN(CN2c3ccccc3[C@](O)(CC(=O)c3ccc4c(c3)CCCC4)C2=O)CC1 ZINC000020414352 557014376 /nfs/dbraw/zinc/01/43/76/557014376.db2.gz TXIHOTHCKULFLC-AREMUKBSSA-N 0 0 433.552 2.578 50 0 IFAARN COc1ccccc1N1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)CC1 ZINC000020421386 557015128 /nfs/dbraw/zinc/01/51/28/557015128.db2.gz QHEPMMMPTJFTTH-UHFFFAOYSA-N 0 0 430.302 2.767 50 0 IFAARN O=C(CSCc1ccccc1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 ZINC000023134333 557017145 /nfs/dbraw/zinc/01/71/45/557017145.db2.gz DIKFFHRGKZPBKK-UHFFFAOYSA-N 0 0 442.976 2.893 50 0 IFAARN CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000023134960 557017642 /nfs/dbraw/zinc/01/76/42/557017642.db2.gz NZCOBIFTPGHFHG-UHFFFAOYSA-N 0 0 426.908 2.672 50 0 IFAARN C[C@H]1C(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000010685041 557017945 /nfs/dbraw/zinc/01/79/45/557017945.db2.gz BEBHSFWYVJMRQM-LBPRGKRZSA-N 0 0 435.889 2.539 50 0 IFAARN O=C(NCc1cn2ccccc2n1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000023129784 557018138 /nfs/dbraw/zinc/01/81/38/557018138.db2.gz CQMDGQBYAPXRDX-UHFFFAOYSA-N 0 0 440.550 2.847 50 0 IFAARN CCOC(=O)N1CCc2nc(NC(=O)CCCS(=O)(=O)c3ccccc3)sc2C1 ZINC000010694596 557018731 /nfs/dbraw/zinc/01/87/31/557018731.db2.gz ISXZDXCCGJFPBC-UHFFFAOYSA-N 0 0 437.543 2.850 50 0 IFAARN COc1ccc(CNC(=O)CCn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1 ZINC000046004423 557019070 /nfs/dbraw/zinc/01/90/70/557019070.db2.gz LPHLYHAPYDTBTA-UHFFFAOYSA-N 0 0 448.589 2.636 50 0 IFAARN O=C(Cc1ccccc1Cl)Nc1c2c(nn1CC(=O)NC[C@H]1CCCO1)CSC2 ZINC000023139178 557020974 /nfs/dbraw/zinc/02/09/74/557020974.db2.gz OODTZVKIFMPMLE-CQSZACIVSA-N 0 0 434.949 2.760 50 0 IFAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000010739040 557022293 /nfs/dbraw/zinc/02/22/93/557022293.db2.gz VPWDCENAOSPRQN-UHFFFAOYSA-N 0 0 434.518 2.653 50 0 IFAARN CCc1ccc2c(COC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)cc(=O)oc2c1 ZINC000010745530 557023504 /nfs/dbraw/zinc/02/35/04/557023504.db2.gz NSNCSIFCYVKSCE-FATZIPQQSA-N 0 0 426.469 2.899 50 0 IFAARN COc1ccc(CCC(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)cc1 ZINC000023139264 557024004 /nfs/dbraw/zinc/02/40/04/557024004.db2.gz OCLGIHCBQJUXRY-KRWDZBQOSA-N 0 0 444.557 2.505 50 0 IFAARN COc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)n2C[C@@H]2CCCO2)cc1Cl ZINC000046031479 557024371 /nfs/dbraw/zinc/02/43/71/557024371.db2.gz JUQKEVQNVCSXTM-LBPRGKRZSA-N 0 0 449.920 2.691 50 0 IFAARN O=C(NCc1ccccc1)NC1(C(=O)OCCN2C(=O)c3ccccc3C2=O)CCCC1 ZINC000010776343 557025516 /nfs/dbraw/zinc/02/55/16/557025516.db2.gz OXEWUARYOZSSAX-UHFFFAOYSA-N 0 0 435.480 2.638 50 0 IFAARN COC(=O)Cn1c(=O)c2ccccc2nc1S[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000010771801 557025804 /nfs/dbraw/zinc/02/58/04/557025804.db2.gz LZSDYNWOIZJGEC-LJQANCHMSA-N 0 0 441.484 2.821 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@@H](C(=O)NCc3cccnc3)C2)c1C ZINC000046046343 557026196 /nfs/dbraw/zinc/02/61/96/557026196.db2.gz XLQWLDOKAKFPCN-LJQANCHMSA-N 0 0 440.544 2.691 50 0 IFAARN Cc1nc(-c2ccc(S(=O)(=O)NCCNc3cc(-n4cccn4)ncn3)s2)cs1 ZINC000023144557 557026380 /nfs/dbraw/zinc/02/63/80/557026380.db2.gz QIAQAGPFIMVNGW-UHFFFAOYSA-N 0 0 447.571 2.546 50 0 IFAARN COc1cccc(CNC(=O)Cn2cnc3c(sc4nc(C)cc(C)c43)c2=O)c1OC ZINC000046053300 557026394 /nfs/dbraw/zinc/02/63/94/557026394.db2.gz CIGWUVMZSICTNE-UHFFFAOYSA-N 0 0 438.509 2.957 50 0 IFAARN COc1ccccc1-c1nnc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)o1 ZINC000010785191 557027135 /nfs/dbraw/zinc/02/71/35/557027135.db2.gz KRFRBDGWGVFDGG-CQSZACIVSA-N 0 0 448.526 2.989 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)N(CC)c3ccccc3)c(C)cc2NC1=O ZINC000046056141 557028082 /nfs/dbraw/zinc/02/80/82/557028082.db2.gz WNEIYOCUEFWZRI-SFHVURJKSA-N 0 0 445.541 2.778 50 0 IFAARN O=C(NCc1cnn(-c2ccccc2)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000010819264 557030159 /nfs/dbraw/zinc/03/01/59/557030159.db2.gz KRBTUJRAPPFTGF-UHFFFAOYSA-N 0 0 442.516 2.729 50 0 IFAARN O=C(CSc1ncc(CO)n1CC(=O)NCc1ccc(F)cc1)Nc1ccccc1F ZINC000017177959 557030777 /nfs/dbraw/zinc/03/07/77/557030777.db2.gz NWEACLDUFOHXHO-UHFFFAOYSA-N 0 0 446.479 2.701 50 0 IFAARN COc1ccc(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1Cl ZINC000032946722 557033895 /nfs/dbraw/zinc/03/38/95/557033895.db2.gz HMPPQWRKXSUNHU-UHFFFAOYSA-N 0 0 440.934 2.614 50 0 IFAARN O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)N1CCCc2ccccc21 ZINC000017200538 557040441 /nfs/dbraw/zinc/04/04/41/557040441.db2.gz XAERDYRFYQJCEU-UHFFFAOYSA-N 0 0 444.466 2.725 50 0 IFAARN NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000017200781 557040556 /nfs/dbraw/zinc/04/05/56/557040556.db2.gz NJTLJSXCXNCHOA-UHFFFAOYSA-N 0 0 427.482 2.959 50 0 IFAARN COc1cc(CC(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000046145104 557043258 /nfs/dbraw/zinc/04/32/58/557043258.db2.gz DJZWUSRESUDDPS-UHFFFAOYSA-N 0 0 432.542 2.524 50 0 IFAARN COc1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1OC ZINC000046145190 557043287 /nfs/dbraw/zinc/04/32/87/557043287.db2.gz BXMNMOLFSWWPML-UHFFFAOYSA-N 0 0 438.933 2.940 50 0 IFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cccc(NC(C)=O)c3C)CC2)cc1 ZINC000046145314 557043299 /nfs/dbraw/zinc/04/32/99/557043299.db2.gz BYGVAWYLZZPZEK-UHFFFAOYSA-N 0 0 445.541 2.545 50 0 IFAARN COc1ccc(OCC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000046145296 557043335 /nfs/dbraw/zinc/04/33/35/557043335.db2.gz HGWBQOWCBWZSRM-UHFFFAOYSA-N 0 0 438.933 2.697 50 0 IFAARN O=C1COc2ccc(S(=O)(=O)N3CCCCCC3)cc2N1Cc1noc(C2CCC2)n1 ZINC000046145611 557043930 /nfs/dbraw/zinc/04/39/30/557043930.db2.gz KIWHBMNADADTLT-UHFFFAOYSA-N 0 0 446.529 2.827 50 0 IFAARN CCCCS(=O)(=O)c1cc2c(cc1NC(=O)c1ccccc1OC)n(C)c(=O)n2C ZINC000046146138 557044312 /nfs/dbraw/zinc/04/43/12/557044312.db2.gz XIZJGADKUHZNDB-UHFFFAOYSA-N 0 0 431.514 2.712 50 0 IFAARN C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000023183785 557044668 /nfs/dbraw/zinc/04/46/68/557044668.db2.gz GDCFYBWCLNAYOD-XJKSGUPXSA-N 0 0 433.302 2.866 50 0 IFAARN COc1cc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(C)CC2)cc(OC)c1OC ZINC000023181018 557044999 /nfs/dbraw/zinc/04/49/99/557044999.db2.gz ZCMQJXCCVGNOGG-MGPUTAFESA-N 0 0 433.574 2.881 50 0 IFAARN CCN1CCN(c2nc(F)c(F)c(S(=O)(=O)CCNc3ccccc3)c2F)CC1 ZINC000024617026 557045729 /nfs/dbraw/zinc/04/57/29/557045729.db2.gz PMFVBQNOWQFRQS-UHFFFAOYSA-N 0 0 428.480 2.527 50 0 IFAARN COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN[C@@H](C)c3ccccc3Cl)nc(=O)c12 ZINC000017289184 557046109 /nfs/dbraw/zinc/04/61/09/557046109.db2.gz OLTNNKIZRVVGPV-JTQLQIEISA-N 0 0 449.916 2.991 50 0 IFAARN Cc1nnc(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccccc4)n3)no2)s1 ZINC000033270774 557047792 /nfs/dbraw/zinc/04/77/92/557047792.db2.gz WCHFEWDHTAXOCG-UHFFFAOYSA-N 0 0 428.503 2.878 50 0 IFAARN O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)Nc1cccc2ccccc21 ZINC000022926488 557048730 /nfs/dbraw/zinc/04/87/30/557048730.db2.gz AKJUGHKYNUHQLL-UHFFFAOYSA-N 0 0 433.537 2.666 50 0 IFAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)o1 ZINC000048231687 557048905 /nfs/dbraw/zinc/04/89/05/557048905.db2.gz LYNIEAZVLMOORD-KRWDZBQOSA-N 0 0 442.541 2.842 50 0 IFAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1cccnc1-n1cncn1 ZINC000048231562 557048923 /nfs/dbraw/zinc/04/89/23/557048923.db2.gz LIGNFWRIMIGVGZ-OAHLLOKOSA-N 0 0 448.430 2.800 50 0 IFAARN CC(C)(C)OC(=O)NCCC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000048232193 557049000 /nfs/dbraw/zinc/04/90/00/557049000.db2.gz ADMFLWOLMAONQL-UHFFFAOYSA-N 0 0 429.439 2.905 50 0 IFAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@@H]1c1nnc3n1CCCCC3)C2=O ZINC000048262944 557050123 /nfs/dbraw/zinc/05/01/23/557050123.db2.gz KHEHDZUXPRXRFA-WCCYLALTSA-N 0 0 442.564 2.559 50 0 IFAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)C1 ZINC000048262954 557050196 /nfs/dbraw/zinc/05/01/96/557050196.db2.gz GLXRWXJCENMNNO-INIZCTEOSA-N 0 0 440.541 2.890 50 0 IFAARN C[C@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)Cc1nc(Cc2ccccc2)no1 ZINC000048273999 557051102 /nfs/dbraw/zinc/05/11/02/557051102.db2.gz SIPLSHHLILJRQK-MRXNPFEDSA-N 0 0 425.510 2.943 50 0 IFAARN C[C@H](C(=O)N1CCCCC1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000022934012 557051588 /nfs/dbraw/zinc/05/15/88/557051588.db2.gz DKYKRGNRCLUNAJ-MRXNPFEDSA-N 0 0 426.483 2.663 50 0 IFAARN CCOc1cc(C(=O)NCC(=O)N=c2[nH]c3ccccc3[nH]2)cc(OCC)c1OCC ZINC000017304242 557051634 /nfs/dbraw/zinc/05/16/34/557051634.db2.gz NWMDYFWLKQFZQA-UHFFFAOYSA-N 0 0 426.473 2.549 50 0 IFAARN CN(CCc1noc(C(=O)NCc2ccc3c(c2)OCO3)n1)C(=O)Nc1ccc(F)cc1 ZINC000033273443 557051786 /nfs/dbraw/zinc/05/17/86/557051786.db2.gz LCPWZQYLVRDTSI-UHFFFAOYSA-N 0 0 441.419 2.574 50 0 IFAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000048252375 557051827 /nfs/dbraw/zinc/05/18/27/557051827.db2.gz UIAZGSXSLDOWQO-SFHVURJKSA-N 0 0 447.557 2.516 50 0 IFAARN CN(CCc1noc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)C(=O)C1CCCCC1 ZINC000033273663 557052237 /nfs/dbraw/zinc/05/22/37/557052237.db2.gz CBUYJEJHXKGOFP-UHFFFAOYSA-N 0 0 426.517 2.790 50 0 IFAARN CCn1c2ccccc2n(Cc2ccc(C(=O)NCCc3c(C)noc3C)cc2)c(=O)c1=O ZINC000033272602 557052468 /nfs/dbraw/zinc/05/24/68/557052468.db2.gz SFPXIZBMFCIDDM-UHFFFAOYSA-N 0 0 446.507 2.809 50 0 IFAARN O=C(NCc1cccnc1N1CCOCC1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000048253685 557052570 /nfs/dbraw/zinc/05/25/70/557052570.db2.gz DTQNINBJKGLHHB-KRWDZBQOSA-N 0 0 449.477 2.865 50 0 IFAARN CCc1ccc(OC[C@H](O)CN2CCN(C[C@H](O)COc3ccc(CC)cc3)CC2)cc1 ZINC000022942674 557054385 /nfs/dbraw/zinc/05/43/85/557054385.db2.gz BOLVXGMIEUNXPG-PSWAGMNNSA-N 0 0 442.600 2.609 50 0 IFAARN CCOc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000017307924 557054382 /nfs/dbraw/zinc/05/43/82/557054382.db2.gz JOPVIUZPSWQTOE-UHFFFAOYSA-N 0 0 448.454 2.783 50 0 IFAARN Cn1c2ccc(C(=O)N3CCCC3)cc2nc1CN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000033275520 557054725 /nfs/dbraw/zinc/05/47/25/557054725.db2.gz RSDDDKCJYPHVBL-UHFFFAOYSA-N 0 0 449.530 2.906 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)c3ccc(Cl)cc3)CC1)n2C ZINC000033275527 557054745 /nfs/dbraw/zinc/05/47/45/557054745.db2.gz XROYPQMSZRLOHQ-UHFFFAOYSA-N 0 0 439.947 2.887 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(Cc3nc4cc(C(=O)N(C)C)ccc4n3C)CC2)cc1 ZINC000033275544 557054809 /nfs/dbraw/zinc/05/48/09/557054809.db2.gz CFIHFPIJRRPCGO-UHFFFAOYSA-N 0 0 449.555 2.632 50 0 IFAARN C[C@@H]1CN(CCNC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC000022971072 557055202 /nfs/dbraw/zinc/05/52/02/557055202.db2.gz VWUDJHINTCWYMF-GASCZTMLSA-N 0 0 429.521 2.974 50 0 IFAARN CCn1c(CN(C)S(=O)(=O)c2ccc(OC)cc2)nc2cc(C(=O)N(C)C)ccc21 ZINC000033275853 557055269 /nfs/dbraw/zinc/05/52/69/557055269.db2.gz UTTKHJLTKRFCLJ-UHFFFAOYSA-N 0 0 430.530 2.587 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)Nc3ccc(F)cc3)CC1)n2C ZINC000033275758 557055380 /nfs/dbraw/zinc/05/53/80/557055380.db2.gz ZWOUIDSLACWOQE-UHFFFAOYSA-N 0 0 438.507 2.764 50 0 IFAARN Cc1cc(S(=O)(=O)N(C)Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)ccc1F ZINC000033275920 557055742 /nfs/dbraw/zinc/05/57/42/557055742.db2.gz WRFQQNFDLRYTKO-UHFFFAOYSA-N 0 0 432.521 2.980 50 0 IFAARN COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000022981554 557055823 /nfs/dbraw/zinc/05/58/23/557055823.db2.gz WQJHACVAEGBGEX-UHFFFAOYSA-N 0 0 449.294 2.775 50 0 IFAARN O=C(NCc1ccnc(N2CCOCC2)c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000048276574 557056433 /nfs/dbraw/zinc/05/64/33/557056433.db2.gz YCVMPOFJGACLDU-KRWDZBQOSA-N 0 0 449.477 2.865 50 0 IFAARN CCCCc1nc(C)c(C(=O)N2CCN(c3nn4c(nc(=O)cc4C)s3)CC2)s1 ZINC000048278900 557057237 /nfs/dbraw/zinc/05/72/37/557057237.db2.gz IOQMTSOSPBEQFH-UHFFFAOYSA-N 0 0 432.575 2.529 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC000048279232 557057393 /nfs/dbraw/zinc/05/73/93/557057393.db2.gz ATBRDBAVQYXILK-GOSISDBHSA-N 0 0 447.580 2.614 50 0 IFAARN C[C@@H]1Cc2cc(C(=O)OCC(=O)N3c4ccccc4C[C@@H]3C)ccc2N1S(C)(=O)=O ZINC000048286348 557058412 /nfs/dbraw/zinc/05/84/12/557058412.db2.gz AGKHMJSRVDKRHV-LSDHHAIUSA-N 0 0 428.510 2.532 50 0 IFAARN COC(=O)c1cc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)ccc1OC ZINC000023028195 557058464 /nfs/dbraw/zinc/05/84/64/557058464.db2.gz BREWHVXNEHUGOC-UHFFFAOYSA-N 0 0 443.477 2.979 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(c(Cl)c3)OCO4)CC2)s1 ZINC000023041025 557059114 /nfs/dbraw/zinc/05/91/14/557059114.db2.gz YHNPQORVOAGKEH-UHFFFAOYSA-N 0 0 428.919 2.585 50 0 IFAARN CN(C)C(=O)COc1ccccc1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000048310177 557060230 /nfs/dbraw/zinc/06/02/30/557060230.db2.gz DLKIYMJUAQFAHF-UHFFFAOYSA-N 0 0 448.317 2.675 50 0 IFAARN O=C(Cn1nnn(-c2cccs2)c1=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000023055218 557060701 /nfs/dbraw/zinc/06/07/01/557060701.db2.gz ZYDUMWSJOJFSAP-UHFFFAOYSA-N 0 0 433.799 2.724 50 0 IFAARN CCOC(=O)CN(CCOC)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000048299478 557061677 /nfs/dbraw/zinc/06/16/77/557061677.db2.gz DDMOUYUUNZORDF-HXUWFJFHSA-N 0 0 427.501 2.777 50 0 IFAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)c(C)c1 ZINC000048301091 557062607 /nfs/dbraw/zinc/06/26/07/557062607.db2.gz HMBJDOBKMNCUCI-HXUWFJFHSA-N 0 0 435.528 2.770 50 0 IFAARN Cc1cccc(CN2CCN(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CC2)c1 ZINC000023105569 557063364 /nfs/dbraw/zinc/06/33/64/557063364.db2.gz KTKUNOKUGJUQJJ-NRFANRHFSA-N 0 0 428.602 2.957 50 0 IFAARN CCOC(=O)c1cnc2c(OC)ccc(OC)c2c1NCc1ccc(S(N)(=O)=O)cc1 ZINC000048303000 557064402 /nfs/dbraw/zinc/06/44/02/557064402.db2.gz PRJKAYOAEAWMOD-UHFFFAOYSA-N 0 0 445.497 2.688 50 0 IFAARN O=C(Nc1cccnc1N1CCCC1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000048324765 557065667 /nfs/dbraw/zinc/06/56/67/557065667.db2.gz RJQZFEMCUGWUKC-UHFFFAOYSA-N 0 0 447.536 2.796 50 0 IFAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)C1 ZINC000048325975 557066587 /nfs/dbraw/zinc/06/65/87/557066587.db2.gz FFHKRTGRTBNYDN-MRXNPFEDSA-N 0 0 432.498 2.604 50 0 IFAARN Cc1ccc2c(c1)c1ncn(Cc3nc(C(C)C)no3)c(=O)c1n2CC(=O)N1CCCC1 ZINC000033281362 557067156 /nfs/dbraw/zinc/06/71/56/557067156.db2.gz IDMPJXBUNCJGEF-UHFFFAOYSA-N 0 0 434.500 2.837 50 0 IFAARN CCc1nc(CN2CCN(C(=O)[C@H](NC(=O)c3ccc(OC)cc3)C(C)C)CC2)cs1 ZINC000048313963 557067530 /nfs/dbraw/zinc/06/75/30/557067530.db2.gz RCQVMSAGZKIBPC-OAQYLSRUSA-N 0 0 444.601 2.813 50 0 IFAARN C[C@H]1Cc2cc(C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)ccc2N1S(C)(=O)=O ZINC000023151357 557069160 /nfs/dbraw/zinc/06/91/60/557069160.db2.gz NTFHNBOUTLDQLW-XOBRGWDASA-N 0 0 443.525 2.767 50 0 IFAARN COc1ccc(OCCN2CCN(Cc3nc(COc4ccc(F)cc4)no3)CC2)cc1 ZINC000048331595 557069426 /nfs/dbraw/zinc/06/94/26/557069426.db2.gz WZSUUKAPGMASLM-UHFFFAOYSA-N 0 0 442.491 2.993 50 0 IFAARN Cc1ccc(CNC(=O)c2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1 ZINC000033292255 557070564 /nfs/dbraw/zinc/07/05/64/557070564.db2.gz VDLANJCQDWCNGX-UHFFFAOYSA-N 0 0 426.498 2.760 50 0 IFAARN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OC(C)C ZINC000033293922 557072239 /nfs/dbraw/zinc/07/22/39/557072239.db2.gz FJLQNIFSIIAISA-PDGQHHTCSA-N 0 0 434.514 2.768 50 0 IFAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1 ZINC000033297948 557073966 /nfs/dbraw/zinc/07/39/66/557073966.db2.gz SQIDVUICQQDIEO-FLIBITNWSA-N 0 0 432.546 2.828 50 0 IFAARN CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c1=O ZINC000033298557 557074656 /nfs/dbraw/zinc/07/46/56/557074656.db2.gz IYGDRDJUSIPVHI-UHFFFAOYSA-N 0 0 434.540 2.782 50 0 IFAARN O=C(c1cnn(-c2ccccc2)n1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000048367758 557075557 /nfs/dbraw/zinc/07/55/57/557075557.db2.gz MQUJGMWEDSNEDD-UHFFFAOYSA-N 0 0 429.402 2.884 50 0 IFAARN Cc1c(C(=O)NCc2ccccc2)c(C)n2cnn(CC(=O)Nc3ccccc3F)c(=O)c12 ZINC000033292977 557075896 /nfs/dbraw/zinc/07/58/96/557075896.db2.gz GANTXDLIQCZDDE-UHFFFAOYSA-N 0 0 447.470 2.821 50 0 IFAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000023254171 557079250 /nfs/dbraw/zinc/07/92/50/557079250.db2.gz JEVKUKFTRHHVMN-KRWDZBQOSA-N 0 0 436.984 2.614 50 0 IFAARN COc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccc(C)c(F)c4)c(=O)n3c2)cc1 ZINC000048986063 557082297 /nfs/dbraw/zinc/08/22/97/557082297.db2.gz BILLXFFSTDBURX-UHFFFAOYSA-N 0 0 449.442 2.843 50 0 IFAARN Cc1ccc(S(=O)(=O)c2cnc(N3CCN(C4CCCCC4)CC3)nc2N)cc1C ZINC000033301927 557083568 /nfs/dbraw/zinc/08/35/68/557083568.db2.gz NKJPZLLTFWHPFV-UHFFFAOYSA-N 0 0 429.590 2.963 50 0 IFAARN O=C(CSc1nnnn1Cc1ccco1)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000011315240 557084307 /nfs/dbraw/zinc/08/43/07/557084307.db2.gz TZRHRGNTPKOEGT-UHFFFAOYSA-N 0 0 429.893 2.943 50 0 IFAARN COC(=O)c1ccc(Cn2nc3c(-c4nc(-c5cccc(C)c5)no4)cccn3c2=O)o1 ZINC000049006628 557085460 /nfs/dbraw/zinc/08/54/60/557085460.db2.gz VAGZTAFYIWNTLH-UHFFFAOYSA-N 0 0 431.408 2.949 50 0 IFAARN O=C(Cn1nc2c(Oc3ccc(Cl)cc3)nccn2c1=O)Nc1ccc2c(c1)OCO2 ZINC000049008728 557086838 /nfs/dbraw/zinc/08/68/38/557086838.db2.gz NGMMZIOKOPZMBJ-UHFFFAOYSA-N 0 0 439.815 2.704 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)cc1 ZINC000049009201 557087243 /nfs/dbraw/zinc/08/72/43/557087243.db2.gz WTSASIGZGLFXGY-UHFFFAOYSA-N 0 0 427.530 2.641 50 0 IFAARN CCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)NCCOc1ccccc1OC ZINC000033308920 557089786 /nfs/dbraw/zinc/08/97/86/557089786.db2.gz PMUOEZCEUGHOTR-UHFFFAOYSA-N 0 0 444.557 2.898 50 0 IFAARN NC(=O)C1=C(N)S[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]1c1ccccc1O ZINC000023409237 557091003 /nfs/dbraw/zinc/09/10/03/557091003.db2.gz LNLNNOKYZLOYAG-BJLQDIEVSA-N 0 0 445.500 2.590 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](c2nccn2C)c2cccc(OC)c2)cc1 ZINC000017522257 557092948 /nfs/dbraw/zinc/09/29/48/557092948.db2.gz WEVJNDNLGXSAKU-LJQANCHMSA-N 0 0 429.498 2.673 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N[C@H](c2nccn2C)c2cccc(OC)c2)cc1 ZINC000017522256 557093059 /nfs/dbraw/zinc/09/30/59/557093059.db2.gz WEVJNDNLGXSAKU-IBGZPJMESA-N 0 0 429.498 2.673 50 0 IFAARN C[C@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)n1nc(-c2ccc(F)cc2)ccc1=O ZINC000049059906 557093538 /nfs/dbraw/zinc/09/35/38/557093538.db2.gz BPXITFHARMUTFZ-CYBMUJFWSA-N 0 0 430.461 2.621 50 0 IFAARN Cc1c(NC(=O)CSCC(=O)NCCc2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000023483607 557094324 /nfs/dbraw/zinc/09/43/24/557094324.db2.gz MJJUYDCIVGQVAB-UHFFFAOYSA-N 0 0 444.582 2.577 50 0 IFAARN COc1cccc(-c2cc(C(=O)N3CCN(Cc4nc5ccccc5n4C)CC3)[nH]n2)c1 ZINC000049372105 557094539 /nfs/dbraw/zinc/09/45/39/557094539.db2.gz DMDIMTDRRQCFIY-UHFFFAOYSA-N 0 0 430.512 2.930 50 0 IFAARN C[C@H]1CCCN(c2nccn3c(=O)n(CC(=O)Nc4cccc(Br)c4)nc23)C1 ZINC000049399880 557095525 /nfs/dbraw/zinc/09/55/25/557095525.db2.gz VYVIJKPNBRLOOK-ZDUSSCGKSA-N 0 0 445.321 2.529 50 0 IFAARN CCNC(=O)c1cn(-c2ccc(SCC(=O)Nc3ccc(Cl)cc3F)nn2)cn1 ZINC000049401232 557097017 /nfs/dbraw/zinc/09/70/17/557097017.db2.gz DBFWTPXOBQKYDP-UHFFFAOYSA-N 0 0 434.884 2.935 50 0 IFAARN CCNC(=O)CSc1cnn(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1Cl ZINC000049401131 557097076 /nfs/dbraw/zinc/09/70/76/557097076.db2.gz RJDWTSFMJIQTSW-UHFFFAOYSA-N 0 0 433.292 2.556 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN1C2=C(C(=O)OC2)[C@@H](c2ccccc2)NC1=O ZINC000049402821 557098266 /nfs/dbraw/zinc/09/82/66/557098266.db2.gz IPSWWEQATFCPTJ-LJQANCHMSA-N 0 0 427.844 2.865 50 0 IFAARN Cc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1S(=O)(=O)N(C)C ZINC000017577770 557098417 /nfs/dbraw/zinc/09/84/17/557098417.db2.gz KLBDIDSJZWPFFI-FQEVSTJZSA-N 0 0 431.539 2.813 50 0 IFAARN COc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3cccc(Cl)c3)NC2=O)cc1 ZINC000049403000 557098579 /nfs/dbraw/zinc/09/85/79/557098579.db2.gz ALBLFTCBSAQWCI-IBGZPJMESA-N 0 0 427.844 2.865 50 0 IFAARN COc1ccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3cccc(Cl)c3)NC2=O)cc1 ZINC000049403101 557098912 /nfs/dbraw/zinc/09/89/12/557098912.db2.gz JKQOXZGYHZXNEE-HXUWFJFHSA-N 0 0 441.871 2.542 50 0 IFAARN Cc1ccc(F)cc1NC(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 ZINC000049404392 557099514 /nfs/dbraw/zinc/09/95/14/557099514.db2.gz UQSZJBOREDCJNX-UHFFFAOYSA-N 0 0 426.477 2.733 50 0 IFAARN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000023606917 557101178 /nfs/dbraw/zinc/10/11/78/557101178.db2.gz GKVKBGADBRCYKO-HNNXBMFYSA-N 0 0 434.587 2.630 50 0 IFAARN Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)nn2)ccc1F ZINC000049406477 557101599 /nfs/dbraw/zinc/10/15/99/557101599.db2.gz QDCSVICZDDVOSR-UHFFFAOYSA-N 0 0 439.466 2.817 50 0 IFAARN CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@]12c1cc(C)ccc1NC2=O ZINC000085425669 557101868 /nfs/dbraw/zinc/10/18/68/557101868.db2.gz HDMOEFCHVLJEEY-XMMPIXPASA-N 0 0 430.464 2.853 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3OC)C2)c1C ZINC000085620785 557102148 /nfs/dbraw/zinc/10/21/48/557102148.db2.gz QJENAHCXILVCGI-GOSISDBHSA-N 0 0 441.528 2.985 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(OC)cc3)C2)c1C ZINC000085621051 557102585 /nfs/dbraw/zinc/10/25/85/557102585.db2.gz KTWNHCRDJBQBAN-QGZVFWFLSA-N 0 0 427.501 2.595 50 0 IFAARN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3ccccn3)C2)c(C)c1C(=O)OC(C)C ZINC000085621350 557102908 /nfs/dbraw/zinc/10/29/08/557102908.db2.gz KYXPSKOHMJICNZ-KRWDZBQOSA-N 0 0 426.517 2.760 50 0 IFAARN COC(=O)c1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)o1 ZINC000049408496 557103329 /nfs/dbraw/zinc/10/33/29/557103329.db2.gz SJYIXSKJEDCFKT-UHFFFAOYSA-N 0 0 444.444 2.952 50 0 IFAARN CCCC1(CCC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2c(F)cccc2F)C1=O ZINC000023654207 557103515 /nfs/dbraw/zinc/10/35/15/557103515.db2.gz TWBBKVSRCSATJB-GFCCVEGCSA-N 0 0 425.432 2.726 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)C1=O ZINC000023674646 557105352 /nfs/dbraw/zinc/10/53/52/557105352.db2.gz JKAKOPYKULQSOI-GFCCVEGCSA-N 0 0 439.896 2.638 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1C ZINC000017653209 557105360 /nfs/dbraw/zinc/10/53/60/557105360.db2.gz VTJBIIUHFVKBKJ-UHFFFAOYSA-N 0 0 427.457 2.731 50 0 IFAARN COc1ccccc1NC(=O)CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O ZINC000049411508 557106631 /nfs/dbraw/zinc/10/66/31/557106631.db2.gz UGZQQVYOVZAZSP-UHFFFAOYSA-N 0 0 442.472 2.968 50 0 IFAARN O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)C1(c2ccccc2)CCOCC1 ZINC000585147766 557106673 /nfs/dbraw/zinc/10/66/73/557106673.db2.gz YPEXFUDMTKCTCG-UHFFFAOYSA-N 0 0 441.553 2.585 50 0 IFAARN COc1ccc(NC(=O)CN2CN(c3ccc(F)cc3)c3ncccc3S2(=O)=O)cc1 ZINC000049411560 557106917 /nfs/dbraw/zinc/10/69/17/557106917.db2.gz HKJJDYUUCFKSEF-UHFFFAOYSA-N 0 0 442.472 2.968 50 0 IFAARN COCCNC(=O)Cn1c2nc(-c3ccc(C)cc3)nn2c(=O)c(Cc2ccccc2)c1C ZINC000033324772 557106991 /nfs/dbraw/zinc/10/69/91/557106991.db2.gz CTNMGMHRLNUOFB-UHFFFAOYSA-N 0 0 445.523 2.528 50 0 IFAARN COc1ccc(CCNC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325374 557107529 /nfs/dbraw/zinc/10/75/29/557107529.db2.gz QUPBSWKIBVGNJH-INIZCTEOSA-N 0 0 445.566 2.952 50 0 IFAARN Cc1c(C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)cnn1-c1ccccc1 ZINC000585148491 557109472 /nfs/dbraw/zinc/10/94/72/557109472.db2.gz KBOPXPJENFXPEL-UHFFFAOYSA-N 0 0 449.433 2.612 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)o2)C1 ZINC000049448202 557109635 /nfs/dbraw/zinc/10/96/35/557109635.db2.gz DLYXLSMSECQYJT-AWEZNQCLSA-N 0 0 443.529 2.625 50 0 IFAARN COc1cccc2cc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)oc21 ZINC000585148541 557109662 /nfs/dbraw/zinc/10/96/62/557109662.db2.gz XJFJQIPMDYNMPA-UHFFFAOYSA-N 0 0 439.390 2.873 50 0 IFAARN Cc1cc(S(=O)(=O)N2CC(c3nc(-c4cnccn4)no3)C2)c(Cl)cc1Cl ZINC000049484924 557109799 /nfs/dbraw/zinc/10/97/99/557109799.db2.gz CSJSXNSWGXWULC-UHFFFAOYSA-N 0 0 426.285 2.930 50 0 IFAARN CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(OCCN2CCOCC2)cc1 ZINC000409415255 557110231 /nfs/dbraw/zinc/11/02/31/557110231.db2.gz YFUQZCAZGNGBNL-UHFFFAOYSA-N 0 0 436.512 2.949 50 0 IFAARN C[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000011358262 557110957 /nfs/dbraw/zinc/11/09/57/557110957.db2.gz WAHFSBHBHORZBE-ZDUSSCGKSA-N 0 0 433.511 2.577 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)n2)c(F)c1 ZINC000049543724 557110930 /nfs/dbraw/zinc/11/09/30/557110930.db2.gz LEHCHQLNSKXFTA-UHFFFAOYSA-N 0 0 443.431 2.723 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 ZINC000049544286 557110936 /nfs/dbraw/zinc/11/09/36/557110936.db2.gz AEPFGJLCYYNHBG-INIZCTEOSA-N 0 0 434.468 2.966 50 0 IFAARN COc1ccccc1[C@H](CNC(=O)CCc1c(C)nc2nc(SC)nn2c1C)N(C)C ZINC000023737054 557112274 /nfs/dbraw/zinc/11/22/74/557112274.db2.gz XJXUJMXRHAIUOJ-SFHVURJKSA-N 0 0 442.589 2.823 50 0 IFAARN COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1C ZINC000017732172 557112622 /nfs/dbraw/zinc/11/26/22/557112622.db2.gz IXGPFJZWATWWNX-OAHLLOKOSA-N 0 0 425.485 2.908 50 0 IFAARN O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000017727027 557112746 /nfs/dbraw/zinc/11/27/46/557112746.db2.gz KFZZDEZGMOJHAL-UHFFFAOYSA-N 0 0 437.525 2.672 50 0 IFAARN COC(=O)[C@H](C)NC(=O)c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1 ZINC000049550560 557113330 /nfs/dbraw/zinc/11/33/30/557113330.db2.gz TXFBGZJRHWRGMY-NSHDSACASA-N 0 0 435.253 2.856 50 0 IFAARN CS(=O)(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 ZINC000011362556 557113621 /nfs/dbraw/zinc/11/36/21/557113621.db2.gz IJZPTOYDKIMERG-SFHVURJKSA-N 0 0 427.482 2.631 50 0 IFAARN C[C@H](Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)C(=O)Nc1ccccc1F ZINC000011364660 557114084 /nfs/dbraw/zinc/11/40/84/557114084.db2.gz GOZUZRHVKYXRDU-LSDHHAIUSA-N 0 0 435.525 2.552 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c(=O)ccn(Cc2ccc(Cl)cc2)c1=O ZINC000033331014 557114562 /nfs/dbraw/zinc/11/45/62/557114562.db2.gz NSLFPEKWVSIVPH-KRWDZBQOSA-N 0 0 425.916 2.849 50 0 IFAARN Cc1ccc(S(=O)(=O)n2cc(-c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)cn2)cc1 ZINC000049600870 557115084 /nfs/dbraw/zinc/11/50/84/557115084.db2.gz DCTKRRXENOZWIC-UHFFFAOYSA-N 0 0 442.522 2.837 50 0 IFAARN C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023763472 557115298 /nfs/dbraw/zinc/11/52/98/557115298.db2.gz VSSKNBFCUINFLX-HNNXBMFYSA-N 0 0 429.904 2.531 50 0 IFAARN C[C@@H](NCC(=O)NCCSc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000049609535 557115561 /nfs/dbraw/zinc/11/55/61/557115561.db2.gz RAFQSOHWNCEOLP-CYBMUJFWSA-N 0 0 427.979 2.547 50 0 IFAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000049581393 557116288 /nfs/dbraw/zinc/11/62/88/557116288.db2.gz AFJKQBSTILPNIU-KRWDZBQOSA-N 0 0 441.915 2.686 50 0 IFAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1=O ZINC000023804801 557116820 /nfs/dbraw/zinc/11/68/20/557116820.db2.gz DKUCXXWOLGDBII-AUSIDOKSSA-N 0 0 433.552 2.875 50 0 IFAARN NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c2ccccc2O1 ZINC000049643472 557116899 /nfs/dbraw/zinc/11/68/99/557116899.db2.gz PNUCJYASGYPKPM-JPYJTQIMSA-N 0 0 443.503 2.972 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000049693981 557117968 /nfs/dbraw/zinc/11/79/68/557117968.db2.gz NAYWQDLADIKUBN-IYPOZPNPSA-N 0 0 444.557 2.505 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2)C1 ZINC000049694053 557118021 /nfs/dbraw/zinc/11/80/21/557118021.db2.gz LWIVLSFDCSLVML-DPCFLFMUSA-N 0 0 432.546 2.863 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2)CC1 ZINC000049694085 557118280 /nfs/dbraw/zinc/11/82/80/557118280.db2.gz LFCVHQAQEIPCKF-VAWYXSNFSA-N 0 0 432.546 2.863 50 0 IFAARN CCCn1c(CCC(=O)Nc2ccn(C)n2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000014899669 557119235 /nfs/dbraw/zinc/11/92/35/557119235.db2.gz RNEPNGNEEOMXQT-UHFFFAOYSA-N 0 0 444.561 2.536 50 0 IFAARN CC(C)Cn1nc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c2ccccc2c1=O ZINC000023845206 557119843 /nfs/dbraw/zinc/11/98/43/557119843.db2.gz MEWAAOAQDGLNHK-JOCHJYFZSA-N 0 0 434.540 2.856 50 0 IFAARN O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCN(Cc2ccsc2)CC1 ZINC000023846493 557120369 /nfs/dbraw/zinc/12/03/69/557120369.db2.gz FGBCKSKLUHJAAA-UHFFFAOYSA-N 0 0 439.990 2.800 50 0 IFAARN COc1ccc(CNC(=O)C2CCC(Cn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1 ZINC000004790263 557120593 /nfs/dbraw/zinc/12/05/93/557120593.db2.gz VCQPBJJOFDZKRP-UHFFFAOYSA-N 0 0 427.526 2.883 50 0 IFAARN COc1ccc(CN2CCN(C(=O)CNC(=O)c3cccc(Br)c3)CC2)cc1 ZINC000024649330 557121656 /nfs/dbraw/zinc/12/16/56/557121656.db2.gz DVOPZLXGUKTLAT-UHFFFAOYSA-N 0 0 446.345 2.532 50 0 IFAARN O=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000023873266 557121972 /nfs/dbraw/zinc/12/19/72/557121972.db2.gz RJIIIPGKOPGGCY-UHFFFAOYSA-N 0 0 443.551 2.815 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCN(CC(=O)N(C)C)CC3)c3ccccc3n2)cc1 ZINC000017800058 557122904 /nfs/dbraw/zinc/12/29/04/557122904.db2.gz DTGZZOKQAWMMKL-UHFFFAOYSA-N 0 0 432.524 2.756 50 0 IFAARN COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000098086510 557123265 /nfs/dbraw/zinc/12/32/65/557123265.db2.gz YBUCHFWWUQXWTF-GZTJUZNOSA-N 0 0 426.450 2.913 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3c(C)cc(C)[nH]c3=O)CC2)c(C)c1 ZINC000017813548 557124195 /nfs/dbraw/zinc/12/41/95/557124195.db2.gz MBEWLYZVDZKRDP-UHFFFAOYSA-N 0 0 445.585 2.634 50 0 IFAARN Cc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1 ZINC000004791688 557124505 /nfs/dbraw/zinc/12/45/05/557124505.db2.gz AWZRJIGVQDQPHM-UHFFFAOYSA-N 0 0 430.302 2.857 50 0 IFAARN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1C ZINC000017861361 557126932 /nfs/dbraw/zinc/12/69/32/557126932.db2.gz IXGPFJZWATWWNX-HNNXBMFYSA-N 0 0 425.485 2.908 50 0 IFAARN NC(=O)c1ccc(OCC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000089787639 557127436 /nfs/dbraw/zinc/12/74/36/557127436.db2.gz CVJYDLCZCAYBNP-UHFFFAOYSA-N 0 0 446.345 2.708 50 0 IFAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023956195 557127554 /nfs/dbraw/zinc/12/75/54/557127554.db2.gz MNCFZXUPKATHPQ-INIZCTEOSA-N 0 0 441.578 2.908 50 0 IFAARN O=C1c2ccccc2S(=O)(=O)N1CCSc1nnc(N2CCCCC2)n1C1CC1 ZINC000011372248 557128462 /nfs/dbraw/zinc/12/84/62/557128462.db2.gz BIUFRWRFJHLILG-UHFFFAOYSA-N 0 0 433.559 2.540 50 0 IFAARN NC(=O)COc1ccc(NC(=O)c2cnc3c(F)cc(Br)cc3c2O)cc1 ZINC000072284293 557132457 /nfs/dbraw/zinc/13/24/57/557132457.db2.gz UZVJKUDGSZZUJA-UHFFFAOYSA-N 0 0 434.221 2.958 50 0 IFAARN C[C@H](OC(=O)c1sccc1S(N)(=O)=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000010937338 557134102 /nfs/dbraw/zinc/13/41/02/557134102.db2.gz XZZFFSFUZBRZJK-QMMMGPOBSA-N 0 0 436.483 2.894 50 0 IFAARN CCc1ccc(Cl)c(CC)c1NC(=O)COC(=O)c1sccc1S(N)(=O)=O ZINC000010938256 557134535 /nfs/dbraw/zinc/13/45/35/557134535.db2.gz MWNSIBCIPZSZRP-UHFFFAOYSA-N 0 0 430.935 2.969 50 0 IFAARN CCOC(=O)COc1c(I)cc(/C=C2/N=C(C)OC2=O)cc1OC ZINC000000679179 557134609 /nfs/dbraw/zinc/13/46/09/557134609.db2.gz HGNAVGQVHZZQSX-WUXMJOGZSA-N 0 0 445.209 2.558 50 0 IFAARN Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000024085745 557135836 /nfs/dbraw/zinc/13/58/36/557135836.db2.gz KSRFRZRDADKCRH-MHECFPHRSA-N 0 0 440.496 2.672 50 0 IFAARN NC(=O)c1cc(NC(=O)COC(=O)c2ccc(-c3ccc(F)cc3)s2)cc(C(N)=O)c1 ZINC000024091101 557136200 /nfs/dbraw/zinc/13/62/00/557136200.db2.gz IICQXICVCASGBN-UHFFFAOYSA-N 0 0 441.440 2.548 50 0 IFAARN CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1cc(Cl)c2c(c1)OCCO2 ZINC000024175479 557139634 /nfs/dbraw/zinc/13/96/34/557139634.db2.gz ZFSCRASLAAJFBY-JOCHJYFZSA-N 0 0 442.855 2.763 50 0 IFAARN CC(C)NC(=O)NC(=O)CSc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1 ZINC000011426940 557146315 /nfs/dbraw/zinc/14/63/15/557146315.db2.gz OQPXRPMGFKRGOH-HUUCEWRRSA-N 0 0 434.566 2.728 50 0 IFAARN O=C(CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)NCc1ccc(F)cc1 ZINC000011431224 557146981 /nfs/dbraw/zinc/14/69/81/557146981.db2.gz DTNZCHFEUVBCJI-SFHVURJKSA-N 0 0 433.553 2.995 50 0 IFAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(C)C[C@H]3c3ccccc3)cc(C3CC3)nc21 ZINC000024443825 557147098 /nfs/dbraw/zinc/14/70/98/557147098.db2.gz HRWVDQOIZVZHNC-FQEVSTJZSA-N 0 0 447.539 2.501 50 0 IFAARN COC(=O)C[C@@H](NC(=O)CCCn1c2ccccc2oc1=O)c1ccc(OC)c(OC)c1 ZINC000024485855 557148059 /nfs/dbraw/zinc/14/80/59/557148059.db2.gz WZTMVRKVVROEAS-MRXNPFEDSA-N 0 0 442.468 2.813 50 0 IFAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C2=COCCO2)cc1 ZINC000011444984 557148469 /nfs/dbraw/zinc/14/84/69/557148469.db2.gz OXBOXNWCZPQXFC-CQSZACIVSA-N 0 0 426.425 2.706 50 0 IFAARN COc1cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)ccc1N1CCCC1=O ZINC000011446230 557148594 /nfs/dbraw/zinc/14/85/94/557148594.db2.gz NUVUHXKIWWQUBY-FQEVSTJZSA-N 0 0 434.496 2.989 50 0 IFAARN COc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)ccc1N1CCCC1=O ZINC000011445915 557148650 /nfs/dbraw/zinc/14/86/50/557148650.db2.gz ONVREHPBKCRNET-UHFFFAOYSA-N 0 0 436.262 2.546 50 0 IFAARN COc1ccc(-c2nc(C(=O)OCC(=O)Nc3sccc3C(N)=O)cs2)cc1OC ZINC000024508391 557149447 /nfs/dbraw/zinc/14/94/47/557149447.db2.gz DPBGHMJAFFSOLS-UHFFFAOYSA-N 0 0 447.494 2.783 50 0 IFAARN C[C@H](Sc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)C1CCCCC1 ZINC000011457592 557150811 /nfs/dbraw/zinc/15/08/11/557150811.db2.gz USLJNZLFFCEXRE-ZDUSSCGKSA-N 0 0 447.605 2.596 50 0 IFAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)cc1 ZINC000585147822 557151092 /nfs/dbraw/zinc/15/10/92/557151092.db2.gz ACNWPLFKUFUCFO-IBGZPJMESA-N 0 0 440.477 2.612 50 0 IFAARN COc1cc(C(=O)OCc2ccc(F)cc2Br)cc(OC)c1OCC(N)=O ZINC000011469992 557151915 /nfs/dbraw/zinc/15/19/15/557151915.db2.gz RLVGWJYBZNAAAW-UHFFFAOYSA-N 0 0 442.237 2.827 50 0 IFAARN CCOc1ccc(CCNC(=O)Cn2nnc(-c3ccc(OC)cc3)n2)cc1OCC ZINC000000720459 557152698 /nfs/dbraw/zinc/15/26/98/557152698.db2.gz NDCYRASIQZFOQI-UHFFFAOYSA-N 0 0 425.489 2.505 50 0 IFAARN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606624 557153113 /nfs/dbraw/zinc/15/31/13/557153113.db2.gz WMZQPQPGXLORAL-OAHLLOKOSA-N 0 0 435.571 2.926 50 0 IFAARN CC[C@@H](C(=O)NCc1ccccc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000011498099 557153785 /nfs/dbraw/zinc/15/37/85/557153785.db2.gz FSFKMMUBQJQQMN-NRFANRHFSA-N 0 0 433.549 2.617 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024613014 557155797 /nfs/dbraw/zinc/15/57/97/557155797.db2.gz IAVHGNNUHZMBNS-UHFFFAOYSA-N 0 0 434.489 2.777 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000011515836 557156797 /nfs/dbraw/zinc/15/67/97/557156797.db2.gz IXGQICMOCGHYNY-OAHLLOKOSA-N 0 0 443.472 2.610 50 0 IFAARN CCN1c2ccc(C)cc2[C@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)C1=O ZINC000095473504 557157277 /nfs/dbraw/zinc/15/72/77/557157277.db2.gz BESAEMGQNQDWOW-QFIPXVFZSA-N 0 0 428.456 2.800 50 0 IFAARN COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000095482836 557157445 /nfs/dbraw/zinc/15/74/45/557157445.db2.gz ZZHBAQQDJNPIKC-IBGZPJMESA-N 0 0 442.899 2.742 50 0 IFAARN CCc1cccc(N2C[C@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)c1 ZINC000024747441 557161563 /nfs/dbraw/zinc/16/15/63/557161563.db2.gz GIQKITJEORZIIW-QGZVFWFLSA-N 0 0 429.542 2.799 50 0 IFAARN O=C(NCCc1nnc2ccccn21)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000011547132 557161947 /nfs/dbraw/zinc/16/19/47/557161947.db2.gz LCOFGIQGXXUXRV-UHFFFAOYSA-N 0 0 439.472 2.642 50 0 IFAARN Cc1cccc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)c1 ZINC000206772407 557162121 /nfs/dbraw/zinc/16/21/21/557162121.db2.gz KLRZGRNGKPNXCN-QGZVFWFLSA-N 0 0 442.541 2.590 50 0 IFAARN CC(C)[C@@H](CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)N1CCOCC1 ZINC000024758411 557163621 /nfs/dbraw/zinc/16/36/21/557163621.db2.gz QYPDCIZKPHNWTB-JOCHJYFZSA-N 0 0 425.529 2.682 50 0 IFAARN CSc1cccc(NC(=O)CN2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000024758576 557163905 /nfs/dbraw/zinc/16/39/05/557163905.db2.gz OAXBYBCFFLVQGW-UHFFFAOYSA-N 0 0 425.601 2.851 50 0 IFAARN CC(C)[C@H](NC(=O)CN1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000024760858 557164358 /nfs/dbraw/zinc/16/43/58/557164358.db2.gz ZZXGUYDXZRDROO-DFIYOIEZSA-N 0 0 446.611 2.761 50 0 IFAARN CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000024764264 557164967 /nfs/dbraw/zinc/16/49/67/557164967.db2.gz NEHWKMVMXKADMU-UHFFFAOYSA-N 0 0 432.542 2.843 50 0 IFAARN O=C(c1cccs1)c1ccccc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024776996 557166975 /nfs/dbraw/zinc/16/69/75/557166975.db2.gz UIEXVYADFJQFCU-UHFFFAOYSA-N 0 0 444.520 2.917 50 0 IFAARN CCN(Cc1coc(-c2ccc(F)cc2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000024820261 557169130 /nfs/dbraw/zinc/16/91/30/557169130.db2.gz YSOJAEVYURMLKF-UHFFFAOYSA-N 0 0 435.459 2.988 50 0 IFAARN CCOC(=O)C1=C(CSc2nnnn2C(C)C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000024835027 557171930 /nfs/dbraw/zinc/17/19/30/557171930.db2.gz NUIMEBYDWCRHKF-OAHLLOKOSA-N 0 0 436.925 2.871 50 0 IFAARN O=C(OCc1nc(-c2ccccc2)no1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000024835303 557172003 /nfs/dbraw/zinc/17/20/03/557172003.db2.gz AYRZKNJEEZEHOX-UHFFFAOYSA-N 0 0 442.478 2.705 50 0 IFAARN C[C@H]1CCC[C@H](C)C12NC(=O)N(CC(=O)NCc1ccccc1OC(F)(F)F)C2=O ZINC000024840820 557173303 /nfs/dbraw/zinc/17/33/03/557173303.db2.gz LLZRUWOKOIVOSK-STQMWFEESA-N 0 0 427.423 2.948 50 0 IFAARN COc1ccc(CN(C)C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1F ZINC000024845016 557174201 /nfs/dbraw/zinc/17/42/01/557174201.db2.gz QYVHIRQYDIWDOL-UHFFFAOYSA-N 0 0 434.269 2.909 50 0 IFAARN Cc1ccccc1Cn1c2nnc(-c3ccccc3Cl)n2c2c1c(=O)n(C)c(=O)n2C ZINC000010968663 557176611 /nfs/dbraw/zinc/17/66/11/557176611.db2.gz YTGDXJKVXUVPIQ-UHFFFAOYSA-N 0 0 434.887 2.759 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000010961574 557177631 /nfs/dbraw/zinc/17/76/31/557177631.db2.gz QQOJXTFCAOLKCM-UHFFFAOYSA-N 0 0 431.518 2.832 50 0 IFAARN O=C(NCc1nnc2n1CCCCC2)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000010962355 557178013 /nfs/dbraw/zinc/17/80/13/557178013.db2.gz YQFAZAPZXWNLDG-UHFFFAOYSA-N 0 0 443.504 2.874 50 0 IFAARN Cc1ccc(-c2nnc3n(Cc4ccc(Cl)cc4)c4c(n23)n(C)c(=O)n(C)c4=O)cc1 ZINC000010969290 557179162 /nfs/dbraw/zinc/17/91/62/557179162.db2.gz JEHHOMGGIJEWIM-UHFFFAOYSA-N 0 0 434.887 2.759 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cnn(-c4ccccc4)c3)C2)s1 ZINC000024924864 557179471 /nfs/dbraw/zinc/17/94/71/557179471.db2.gz GBUOAUZRRQNLCM-GOSISDBHSA-N 0 0 444.582 2.959 50 0 IFAARN O=C(NCc1nc2ccccc2s1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000024925199 557179891 /nfs/dbraw/zinc/17/98/91/557179891.db2.gz DDUCEXXNEKDAEI-HNNXBMFYSA-N 0 0 431.539 2.684 50 0 IFAARN CCOC(=O)c1cnc(SCC(=O)Nc2ccc(Br)cc2F)nc1N ZINC000009153483 557182421 /nfs/dbraw/zinc/18/24/21/557182421.db2.gz GAQWSTXXPMYNDB-UHFFFAOYSA-N 0 0 429.271 2.868 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000024937823 557181397 /nfs/dbraw/zinc/18/13/97/557181397.db2.gz GMRXBGHUNRRTGO-KRWDZBQOSA-N 0 0 449.598 2.890 50 0 IFAARN NC(=O)[C@@H]1CC(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)=NN1c1ccccc1 ZINC000024970794 557183751 /nfs/dbraw/zinc/18/37/51/557183751.db2.gz ROHHOMGOOKVOQF-SFHVURJKSA-N 0 0 434.525 2.955 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(SCC(=O)N2CCc3ccccc32)n1C ZINC000009263589 557184839 /nfs/dbraw/zinc/18/48/39/557184839.db2.gz DBKMDANBKYDYQR-UHFFFAOYSA-N 0 0 437.525 2.686 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3cccs3)c12 ZINC000024976777 557184845 /nfs/dbraw/zinc/18/48/45/557184845.db2.gz HJMGUFMIILPZQZ-AWEZNQCLSA-N 0 0 430.555 2.968 50 0 IFAARN COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000024980710 557185573 /nfs/dbraw/zinc/18/55/73/557185573.db2.gz IPFFBMKANSLYFR-XHDPSFHLSA-N 0 0 433.313 2.694 50 0 IFAARN Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)N1CCc2ccccc2C1 ZINC000009327797 557186980 /nfs/dbraw/zinc/18/69/80/557186980.db2.gz XHDJMLKTUHWINK-UHFFFAOYSA-N 0 0 439.516 2.812 50 0 IFAARN O=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1ccccc1OCC(F)(F)F ZINC000024990442 557187397 /nfs/dbraw/zinc/18/73/97/557187397.db2.gz VAWOCVAVTGMHAF-UHFFFAOYSA-N 0 0 427.770 2.662 50 0 IFAARN Cc1ccc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1 ZINC000097996350 557188196 /nfs/dbraw/zinc/18/81/96/557188196.db2.gz ACWQBUFCBSRDQM-LDADJPATSA-N 0 0 441.484 2.717 50 0 IFAARN O=C(CNC(=O)c1ccc(F)cc1F)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000097996775 557188283 /nfs/dbraw/zinc/18/82/83/557188283.db2.gz FERQWGCXQFBFMR-LICLKQGHSA-N 0 0 445.447 2.547 50 0 IFAARN CN1c2ccc(Br)cc2[C@H](Cc2nc3ccccc3c(=O)n2CCCO)C1=O ZINC000100023657 557188312 /nfs/dbraw/zinc/18/83/12/557188312.db2.gz RAQUQCBWUSCYJQ-INIZCTEOSA-N 0 0 442.313 2.844 50 0 IFAARN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025047480 557190684 /nfs/dbraw/zinc/19/06/84/557190684.db2.gz CYBXZHWEESUWPK-KRWDZBQOSA-N 0 0 433.549 2.616 50 0 IFAARN CCOC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000100877255 557195320 /nfs/dbraw/zinc/19/53/20/557195320.db2.gz VHDAZFOAXBQVGU-FCQUAONHSA-N 0 0 437.477 2.660 50 0 IFAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)c1cn(Cc2ccccc2)nn1 ZINC000025143094 557196444 /nfs/dbraw/zinc/19/64/44/557196444.db2.gz UUVCENUQUYDTLI-UHFFFAOYSA-N 0 0 431.452 2.797 50 0 IFAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000025162524 557197844 /nfs/dbraw/zinc/19/78/44/557197844.db2.gz LRFIXQKBCKBMST-IQUTYRLHSA-N 0 0 433.530 2.707 50 0 IFAARN C[C@@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N1CCCCCC1 ZINC000025171140 557198297 /nfs/dbraw/zinc/19/82/97/557198297.db2.gz OUHGHXNERRXXLA-IAGOWNOFSA-N 0 0 440.537 2.561 50 0 IFAARN C[C@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N1CCCCCC1 ZINC000025171166 557198326 /nfs/dbraw/zinc/19/83/26/557198326.db2.gz OUHGHXNERRXXLA-IRXDYDNUSA-N 0 0 440.537 2.561 50 0 IFAARN COC(=O)C1(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)CCCCC1 ZINC000025176962 557198563 /nfs/dbraw/zinc/19/85/63/557198563.db2.gz JHGJZTLEBBHVCK-UHFFFAOYSA-N 0 0 436.306 2.541 50 0 IFAARN COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1OC ZINC000100891476 557198634 /nfs/dbraw/zinc/19/86/34/557198634.db2.gz WUHNNCKVFZKEDR-WBVHZDCISA-N 0 0 431.242 2.759 50 0 IFAARN COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC ZINC000000791664 557199031 /nfs/dbraw/zinc/19/90/31/557199031.db2.gz SSVBXGQFZIMTLV-IBGZPJMESA-N 0 0 446.569 2.772 50 0 IFAARN CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)CCS(=O)(=O)c1ccccc1)n2C ZINC000100911213 557199955 /nfs/dbraw/zinc/19/99/55/557199955.db2.gz NTJYEEJJRAGMMA-QZQOTICOSA-N 0 0 432.523 2.708 50 0 IFAARN O=S(=O)(c1ccc(F)cc1)N(CCO)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000794377 557202357 /nfs/dbraw/zinc/20/23/57/557202357.db2.gz DWAPVFVWQMMKKT-GOSISDBHSA-N 0 0 442.512 2.978 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2Cl)c2c(O)n(-c3ccccc3OC)c(O)c12 ZINC000100941872 557203064 /nfs/dbraw/zinc/20/30/64/557203064.db2.gz AUGSMCADSQQDSH-SJLPKXTDSA-N 0 0 427.844 2.646 50 0 IFAARN Cn1c(CNC(=O)C[C@@H](NC(N)=O)c2cccc(Br)c2)nc2ccccc21 ZINC000025402320 557208235 /nfs/dbraw/zinc/20/82/35/557208235.db2.gz VMJFKWUDOGDXBT-OAHLLOKOSA-N 0 0 430.306 2.752 50 0 IFAARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000247716887 557208331 /nfs/dbraw/zinc/20/83/31/557208331.db2.gz NWANDGFJGLFONL-BDXSIMOUSA-N 0 0 428.275 2.994 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000025453804 557210446 /nfs/dbraw/zinc/21/04/46/557210446.db2.gz QJMMSFRGURQVOU-UHFFFAOYSA-N 0 0 431.496 2.530 50 0 IFAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000025457757 557210707 /nfs/dbraw/zinc/21/07/07/557210707.db2.gz HHEMFGZGADKIOE-LJQANCHMSA-N 0 0 436.541 2.788 50 0 IFAARN CCOC(=O)c1ccccc1O[C@H](CC)C(=O)NCC(=O)c1ccc2c(c1)OCCO2 ZINC000011615315 557211539 /nfs/dbraw/zinc/21/15/39/557211539.db2.gz BHHCTBQFPDXVGK-GOSISDBHSA-N 0 0 427.453 2.791 50 0 IFAARN COc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)cc1F ZINC000169770356 557211787 /nfs/dbraw/zinc/21/17/87/557211787.db2.gz ZCMFSOWSYLMFQW-UHFFFAOYSA-N 0 0 428.439 2.926 50 0 IFAARN O=S(=O)(c1cccs1)N1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000025480646 557212121 /nfs/dbraw/zinc/21/21/21/557212121.db2.gz ZGRQDZYMXGUTTC-ICSRJNTNSA-N 0 0 436.599 2.510 50 0 IFAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCCOc1ccc(OC)cc1 ZINC000025515799 557212748 /nfs/dbraw/zinc/21/27/48/557212748.db2.gz FEUCZGRALPKWTG-UHFFFAOYSA-N 0 0 447.484 2.511 50 0 IFAARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000247748622 557213897 /nfs/dbraw/zinc/21/38/97/557213897.db2.gz RESSSVYMVVHWDL-MHORFTMASA-N 0 0 427.382 2.706 50 0 IFAARN Cn1nc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)c2ccccc2c1=O ZINC000025561499 557214839 /nfs/dbraw/zinc/21/48/39/557214839.db2.gz ZLOYFOVZVXVHDP-UHFFFAOYSA-N 0 0 425.798 2.843 50 0 IFAARN O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000025609030 557219074 /nfs/dbraw/zinc/21/90/74/557219074.db2.gz IQSFLOFZQRIWFZ-QFIPXVFZSA-N 0 0 431.540 2.930 50 0 IFAARN COc1ccc(F)cc1C(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000011642667 557219138 /nfs/dbraw/zinc/21/91/38/557219138.db2.gz VTXFIHMYFVATOP-SFHVURJKSA-N 0 0 435.473 2.722 50 0 IFAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000025661702 557220686 /nfs/dbraw/zinc/22/06/86/557220686.db2.gz CSIYOKUPRXMTJH-FQEVSTJZSA-N 0 0 432.586 2.730 50 0 IFAARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCS(=O)(=O)C1)oc1ccccc12 ZINC000010994539 557222994 /nfs/dbraw/zinc/22/29/94/557222994.db2.gz BJLYEQTZCPIQEJ-QWHCGFSZSA-N 0 0 431.466 2.900 50 0 IFAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCN(C(=O)c3ccccc3)CC2)C1=O ZINC000025747412 557224252 /nfs/dbraw/zinc/22/42/52/557224252.db2.gz SWVCZKUXYODOQT-QFIPXVFZSA-N 0 0 426.904 2.523 50 0 IFAARN CCn1c(CCC(=O)NCc2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000010741122 557224371 /nfs/dbraw/zinc/22/43/71/557224371.db2.gz OTXJCWRGXXNADF-UHFFFAOYSA-N 0 0 444.557 2.564 50 0 IFAARN COc1cc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)ccc1OCc1ccccc1 ZINC000025770560 557225065 /nfs/dbraw/zinc/22/50/65/557225065.db2.gz UHROEDOYZIRWGR-LJQANCHMSA-N 0 0 432.542 2.705 50 0 IFAARN CC(C)(C)c1ccc(Cn2nccc2NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1 ZINC000025812971 557227369 /nfs/dbraw/zinc/22/73/69/557227369.db2.gz HBVIBLLJYFBCPA-UHFFFAOYSA-N 0 0 437.529 2.672 50 0 IFAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000136917667 557227856 /nfs/dbraw/zinc/22/78/56/557227856.db2.gz DKARJKOEVWXOJB-IXDOHACOSA-N 0 0 448.523 2.871 50 0 IFAARN CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n1 ZINC000011443729 557229050 /nfs/dbraw/zinc/22/90/50/557229050.db2.gz RUXIABCULGWSJC-VIFPVBQESA-N 0 0 428.436 2.788 50 0 IFAARN CSc1nc(C)c(CCC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c(C)n1 ZINC000025894635 557229311 /nfs/dbraw/zinc/22/93/11/557229311.db2.gz BHWQEPKOXYMCAZ-UHFFFAOYSA-N 0 0 448.614 2.717 50 0 IFAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 ZINC000011612859 557230363 /nfs/dbraw/zinc/23/03/63/557230363.db2.gz LPNQXGABJIGUHI-KRWDZBQOSA-N 0 0 434.489 2.804 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000011657456 557231257 /nfs/dbraw/zinc/23/12/57/557231257.db2.gz LQVZUBSZPQQPNB-UHFFFAOYSA-N 0 0 425.894 2.566 50 0 IFAARN COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(OC)c1 ZINC000011666409 557231531 /nfs/dbraw/zinc/23/15/31/557231531.db2.gz QIGMBOQRBKZKBO-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(C(=O)CC3CCCC3)CC2)c1 ZINC000011666162 557231883 /nfs/dbraw/zinc/23/18/83/557231883.db2.gz JCSJGPZTOSDXJB-UHFFFAOYSA-N 0 0 447.539 2.541 50 0 IFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000018100065 557236910 /nfs/dbraw/zinc/23/69/10/557236910.db2.gz MFFQEXWTPQTBSI-UHFFFAOYSA-N 0 0 437.459 2.894 50 0 IFAARN COc1ccc(OCCN2CCN(C(=O)CSc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000018111998 557237915 /nfs/dbraw/zinc/23/79/15/557237915.db2.gz MJGAVTHTNQIJAH-UHFFFAOYSA-N 0 0 443.569 2.969 50 0 IFAARN O=C(c1cncc(Br)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000011003704 557238398 /nfs/dbraw/zinc/23/83/98/557238398.db2.gz FHHJOVXYNFXZHE-UHFFFAOYSA-N 0 0 442.310 2.520 50 0 IFAARN CCOc1ccc(OCCNC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000026283213 557238735 /nfs/dbraw/zinc/23/87/35/557238735.db2.gz AROBBDIPQLFZHB-UHFFFAOYSA-N 0 0 440.544 2.866 50 0 IFAARN COc1c2c(c(CNC(=O)c3ccc(OC(C)C)cc3)c3c1C(=O)N(C)CC3)OCO2 ZINC000604405916 557239263 /nfs/dbraw/zinc/23/92/63/557239263.db2.gz WYDPDXPBNULWCK-UHFFFAOYSA-N 0 0 426.469 2.769 50 0 IFAARN C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCCO1 ZINC000026398689 557240370 /nfs/dbraw/zinc/24/03/70/557240370.db2.gz NMSVXUCSVPNQQU-MLGOLLRUSA-N 0 0 436.361 2.577 50 0 IFAARN CC(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000026392074 557240428 /nfs/dbraw/zinc/24/04/28/557240428.db2.gz DZOGRHLQESGFIQ-UHFFFAOYSA-N 0 0 432.384 2.901 50 0 IFAARN COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000100095681 557240501 /nfs/dbraw/zinc/24/05/01/557240501.db2.gz QEGZFZNFRSYZFF-HXUWFJFHSA-N 0 0 441.915 2.576 50 0 IFAARN O=C(NCc1nc([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1)c1cc(F)ccc1F ZINC000583648900 557241687 /nfs/dbraw/zinc/24/16/87/557241687.db2.gz CTTLKSREBGAGAN-ZDUSSCGKSA-N 0 0 430.386 2.933 50 0 IFAARN O=C1C[C@@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000100129826 557241852 /nfs/dbraw/zinc/24/18/52/557241852.db2.gz WNXDFQMRTPAJFQ-QGZVFWFLSA-N 0 0 430.302 2.609 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1nnc2ccccn21 ZINC000026503959 557242973 /nfs/dbraw/zinc/24/29/73/557242973.db2.gz ORBTVQKEZXMRBF-KRWDZBQOSA-N 0 0 430.306 2.563 50 0 IFAARN CCOc1cc(/C=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)ccc1OC(C)=O ZINC000026534020 557243465 /nfs/dbraw/zinc/24/34/65/557243465.db2.gz GNYBGNZJCFFIEW-WOJGMQOQSA-N 0 0 425.441 2.829 50 0 IFAARN O=C(CSc1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000026538739 557244076 /nfs/dbraw/zinc/24/40/76/557244076.db2.gz LUIBBYPEBXQNFF-UHFFFAOYSA-N 0 0 428.510 2.623 50 0 IFAARN COc1ccc(-n2cnnc2SCC(=O)N2CCC[C@H]2c2nnc3ccccn32)cc1 ZINC000026555990 557244763 /nfs/dbraw/zinc/24/47/63/557244763.db2.gz HNLFJCCDFALGMI-KRWDZBQOSA-N 0 0 435.513 2.774 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)cc1 ZINC000604404932 557248072 /nfs/dbraw/zinc/24/80/72/557248072.db2.gz JMLOHJSGZYOFKZ-HSZRJFAPSA-N 0 0 440.459 2.800 50 0 IFAARN Cc1noc(CCNC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)n1 ZINC000604405181 557248726 /nfs/dbraw/zinc/24/87/26/557248726.db2.gz MGIQIMJBXAJIGS-QFIPXVFZSA-N 0 0 445.479 2.632 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)c1nn(-c2ccccc2)nc1C ZINC000026889998 557250170 /nfs/dbraw/zinc/25/01/70/557250170.db2.gz CKAGPQUIBGZLEC-UHFFFAOYSA-N 0 0 427.486 2.734 50 0 IFAARN CCOc1cc2c(cc1NC(=O)CCS(=O)(=O)c1ccc3c(c1)OCCO3)O[C@@H](C)C2 ZINC000026886785 557250185 /nfs/dbraw/zinc/25/01/85/557250185.db2.gz UUCSORVWWLIKLZ-AWEZNQCLSA-N 0 0 447.509 2.982 50 0 IFAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1cccc(S(=O)(=O)NCC(F)(F)F)c1 ZINC000026991417 557253660 /nfs/dbraw/zinc/25/36/60/557253660.db2.gz MPXUODXQKFHAQK-UHFFFAOYSA-N 0 0 441.431 2.672 50 0 IFAARN COc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1S(=O)(=O)NC(C)(C)C ZINC000027018781 557254606 /nfs/dbraw/zinc/25/46/06/557254606.db2.gz MCINMRLHQNBLQF-LBPRGKRZSA-N 0 0 447.513 2.744 50 0 IFAARN CN(Cc1ccsc1)C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000018275334 557254957 /nfs/dbraw/zinc/25/49/57/557254957.db2.gz UZEPGSWUWICGLM-UHFFFAOYSA-N 0 0 448.522 2.635 50 0 IFAARN CCOC(=O)C1=C(CSc2nnnn2-c2ccc(C)cc2)NC(=O)N[C@H]1c1ccco1 ZINC000018278533 557254965 /nfs/dbraw/zinc/25/49/65/557254965.db2.gz VVJWUSZHQJMKBV-KRWDZBQOSA-N 0 0 440.485 2.527 50 0 IFAARN O=C(c1csc(-c2ccsc2)n1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000027047601 557255873 /nfs/dbraw/zinc/25/58/73/557255873.db2.gz OOJTYYXMSCHUSI-UHFFFAOYSA-N 0 0 440.616 2.750 50 0 IFAARN COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1 ZINC000018287028 557255926 /nfs/dbraw/zinc/25/59/26/557255926.db2.gz PGVYIIWDSOEZLN-ZDUSSCGKSA-N 0 0 431.470 2.914 50 0 IFAARN COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000812353 557256678 /nfs/dbraw/zinc/25/66/78/557256678.db2.gz ZMCVFPLELACQSC-UHFFFAOYSA-N 0 0 429.473 2.741 50 0 IFAARN O=C(CN1CCC[C@H]1C(=O)NCc1ccco1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000027144090 557257882 /nfs/dbraw/zinc/25/78/82/557257882.db2.gz SRMIIEJVYYDMHR-KRWDZBQOSA-N 0 0 433.892 2.814 50 0 IFAARN COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(Br)cc4)C(O)=C23)cc1 ZINC000100355439 557258603 /nfs/dbraw/zinc/25/86/03/557258603.db2.gz LPWCGQSHIPNJPH-RHSMWYFYSA-N 0 0 429.226 2.585 50 0 IFAARN COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(Br)c4)C(O)=C23)c(OC)c1 ZINC000101224206 557263598 /nfs/dbraw/zinc/26/35/98/557263598.db2.gz YGSIKGVIXXFPIC-WBVHZDCISA-N 0 0 431.242 2.759 50 0 IFAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000011021849 557268600 /nfs/dbraw/zinc/26/86/00/557268600.db2.gz JTMQVWUQSVSBNA-LBPRGKRZSA-N 0 0 435.493 2.861 50 0 IFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(I)cc1 ZINC000100723139 557271374 /nfs/dbraw/zinc/27/13/74/557271374.db2.gz XFBNZVZYSNHUFG-UHFFFAOYSA-N 0 0 427.238 2.872 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccn2)c1 ZINC000027682027 557271671 /nfs/dbraw/zinc/27/16/71/557271671.db2.gz XQRWWXPVCJQMAK-UHFFFAOYSA-N 0 0 426.336 2.805 50 0 IFAARN Cn1c(=O)c2c(n(C)c1=O)NC(CCc1ccccc1)=NC2(C(F)(F)F)C(F)(F)F ZINC000100868954 557277682 /nfs/dbraw/zinc/27/76/82/557277682.db2.gz QQNRIMROBMVHMP-UHFFFAOYSA-N 0 0 434.340 2.861 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1)c1ccco1 ZINC000031034023 557280965 /nfs/dbraw/zinc/28/09/65/557280965.db2.gz QNYQEOQKUVLJDY-FQEVSTJZSA-N 0 0 435.480 2.635 50 0 IFAARN COc1cc(C=CC(=O)OCC(=O)c2cc(C)ccc2OC(F)F)ccc1OCC(N)=O ZINC000014014331 557282038 /nfs/dbraw/zinc/28/20/38/557282038.db2.gz QHSWJHASWUOGDQ-VMPITWQZSA-N 0 0 449.406 2.908 50 0 IFAARN C[C@H](NC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc2c(c1)OCCO2 ZINC000031127775 557282390 /nfs/dbraw/zinc/28/23/90/557282390.db2.gz CBRMCVVELFZARQ-ZACQAIPSSA-N 0 0 431.533 2.576 50 0 IFAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN23)cc1 ZINC000101590070 557291276 /nfs/dbraw/zinc/29/12/76/557291276.db2.gz ODRSGVPAKCIRNW-KJJMTIBFSA-N 0 0 443.459 2.517 50 0 IFAARN CCCN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2CCCN2CCOCC2)C1=O ZINC000101641623 557292211 /nfs/dbraw/zinc/29/22/11/557292211.db2.gz QJROJJSJNZKVIF-VWLOTQADSA-N 0 0 434.540 2.886 50 0 IFAARN CN1c2ccccc2[C@@](O)(CC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)C1=O ZINC000101406212 557292488 /nfs/dbraw/zinc/29/24/88/557292488.db2.gz OTFKXOZYJSBULY-GAKIBJFNSA-N 0 0 432.476 2.803 50 0 IFAARN COc1ccc(CCNc2c(=O)c(=O)c2N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000101704120 557294283 /nfs/dbraw/zinc/29/42/83/557294283.db2.gz FCVQAKXMVSXLNR-UHFFFAOYSA-N 0 0 425.916 2.926 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(OC)cc(OC)c4)ncn3n2)cc1 ZINC000011666435 557299985 /nfs/dbraw/zinc/29/99/85/557299985.db2.gz QNFWECVBKFHIFY-UHFFFAOYSA-N 0 0 449.467 2.613 50 0 IFAARN Cc1ccc(CNc2nn3c(nc(C)c(CCC(=O)NCc4ccccc4)c3=O)[nH]2)cc1 ZINC000101834898 557301654 /nfs/dbraw/zinc/30/16/54/557301654.db2.gz RGPUIAGIBLDWDH-UHFFFAOYSA-N 0 0 430.512 2.896 50 0 IFAARN O=c1c(=O)n(-c2ccccc2)ccn1Cc1nc(-c2cccc(Br)c2)no1 ZINC000049407678 557307311 /nfs/dbraw/zinc/30/73/11/557307311.db2.gz BOMIHOQTWSUJCF-UHFFFAOYSA-N 0 0 425.242 2.860 50 0 IFAARN O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(Cl)cc1Cl ZINC000102127609 557312885 /nfs/dbraw/zinc/31/28/85/557312885.db2.gz VVDUUCYWPGYQJE-HUUCEWRRSA-N 0 0 441.311 2.718 50 0 IFAARN O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1ccc(Cl)cc1Cl ZINC000102127601 557312972 /nfs/dbraw/zinc/31/29/72/557312972.db2.gz VVDUUCYWPGYQJE-GASCZTMLSA-N 0 0 441.311 2.718 50 0 IFAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000102129128 557313138 /nfs/dbraw/zinc/31/31/38/557313138.db2.gz BXHUUGIKQBUDNP-RTBURBONSA-N 0 0 426.513 2.698 50 0 IFAARN CCn1c(=O)c2ccc(C(=O)N[C@@H](c3nccn3C)c3ccccc3OC)cc2[n-]c1=S ZINC000102200173 557314879 /nfs/dbraw/zinc/31/48/79/557314879.db2.gz DPXQJQSIXHEUDY-LJQANCHMSA-N 0 0 449.536 2.967 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000102245920 557315418 /nfs/dbraw/zinc/31/54/18/557315418.db2.gz NMVZARHTEHXYOL-ROUUACIJSA-N 0 0 449.573 2.529 50 0 IFAARN COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1F ZINC000032803667 557316073 /nfs/dbraw/zinc/31/60/73/557316073.db2.gz NNLRBWWQZRACES-UHFFFAOYSA-N 0 0 435.521 2.667 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)NC[C@@H](O)CO[C@@H](C)c3ccccc3)c(C)n2n1 ZINC000032933036 557318544 /nfs/dbraw/zinc/31/85/44/557318544.db2.gz IQWACAZENFZMTA-FUHWJXTLSA-N 0 0 443.573 2.651 50 0 IFAARN C[C@@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000014224883 557321000 /nfs/dbraw/zinc/32/10/00/557321000.db2.gz LWWOEPFPCCCPQZ-CQSZACIVSA-N 0 0 428.514 2.569 50 0 IFAARN Cc1nn(CC(=O)N2CCCCC2)c(=O)c2c1nn(-c1cccc(F)c1)c2-n1cccc1 ZINC000033058149 557323112 /nfs/dbraw/zinc/32/31/12/557323112.db2.gz JPUBTESLZZDCPB-UHFFFAOYSA-N 0 0 434.475 2.833 50 0 IFAARN O=C(CCc1nc2ccccc2n(CC(=O)NCc2ccco2)c1=O)NC1CCCCC1 ZINC000033141588 557325692 /nfs/dbraw/zinc/32/56/92/557325692.db2.gz YOPBFBNHPBMKDI-UHFFFAOYSA-N 0 0 436.512 2.687 50 0 IFAARN COC(=O)C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1Cl ZINC000011668771 557327346 /nfs/dbraw/zinc/32/73/46/557327346.db2.gz TVBJIIPILUCJIX-SFHVURJKSA-N 0 0 436.917 2.914 50 0 IFAARN COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000033276593 557328888 /nfs/dbraw/zinc/32/88/88/557328888.db2.gz GZWJTGGXCRFUIE-UHFFFAOYSA-N 0 0 446.529 2.660 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000014241977 557329004 /nfs/dbraw/zinc/32/90/04/557329004.db2.gz VECVCZIWHYKHGI-UHFFFAOYSA-N 0 0 443.481 2.659 50 0 IFAARN O=C(COc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000014254929 557330685 /nfs/dbraw/zinc/33/06/85/557330685.db2.gz CUXJUHBHNKJEMW-UHFFFAOYSA-N 0 0 446.422 2.756 50 0 IFAARN CCOc1ccc(C(=O)N2CCC(NC(=O)CNC(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000014255135 557330810 /nfs/dbraw/zinc/33/08/10/557330810.db2.gz FNKLETUORRJGJR-UHFFFAOYSA-N 0 0 443.931 2.890 50 0 IFAARN C[NH+](C)CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000033406674 557335147 /nfs/dbraw/zinc/33/51/47/557335147.db2.gz NTLVVOOHFSLTTE-UHFFFAOYSA-N 0 0 426.336 2.541 50 0 IFAARN COC(=O)/C(C)=C/C=C/[C@@]1(C)OC(=O)[C@@]23CC[C@@H]1[C@@]2(OC(C)=O)CCC(C(=O)OC)=CC3 ZINC000014509669 557339097 /nfs/dbraw/zinc/33/90/97/557339097.db2.gz DXNRJQIZAXOHQJ-KYNXZXPVSA-N 0 0 446.496 2.959 50 0 biogenic,in-vitro IFAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100166058 557340259 /nfs/dbraw/zinc/34/02/59/557340259.db2.gz YDAZWDQJHIXODA-OTWHNJEPSA-N 0 0 442.313 2.993 50 0 IFAARN O=C(NCCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000023394222 557352462 /nfs/dbraw/zinc/35/24/62/557352462.db2.gz YYEWZNQXYVZTTE-UHFFFAOYSA-N 0 0 425.913 2.634 50 0 IFAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000023433137 557355722 /nfs/dbraw/zinc/35/57/22/557355722.db2.gz UXJLHOBEKJUDCD-UHFFFAOYSA-N 0 0 440.504 2.866 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCCc1cccs1 ZINC000023483620 557363872 /nfs/dbraw/zinc/36/38/72/557363872.db2.gz NNVIHQRWVUFTRE-IBGZPJMESA-N 0 0 438.571 2.571 50 0 IFAARN COc1cc(C(=O)NCC(=O)OCC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC ZINC000023558840 557366855 /nfs/dbraw/zinc/36/68/55/557366855.db2.gz OYXDJAKMEKGFOR-UHFFFAOYSA-N 0 0 429.469 2.794 50 0 IFAARN O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220839152 557368146 /nfs/dbraw/zinc/36/81/46/557368146.db2.gz UFVNRAQOBQRDGG-GOSISDBHSA-N 0 0 429.484 2.866 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000023642438 557370221 /nfs/dbraw/zinc/37/02/21/557370221.db2.gz OELFYLLGPORZES-FQEVSTJZSA-N 0 0 433.936 2.911 50 0 IFAARN O=S(=O)(c1ccccc1Br)N1CCN(CCOc2ccccc2)CC1 ZINC000023763237 557375707 /nfs/dbraw/zinc/37/57/07/557375707.db2.gz VEXPPLVGUHBLDN-UHFFFAOYSA-N 0 0 425.348 2.834 50 0 IFAARN O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000102798697 557389437 /nfs/dbraw/zinc/38/94/37/557389437.db2.gz XVFQESNBXYQSTJ-ZRGHIBABSA-N 0 0 428.488 2.934 50 0 IFAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023990174 557390241 /nfs/dbraw/zinc/39/02/41/557390241.db2.gz KQZMJWFRRCNEPO-UHFFFAOYSA-N 0 0 432.952 2.629 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1C ZINC000024020762 557390929 /nfs/dbraw/zinc/39/09/29/557390929.db2.gz AYMNXSBFTCIOSW-UHFFFAOYSA-N 0 0 429.498 2.504 50 0 IFAARN COc1ccc(NC(=O)Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)c(OC)c1 ZINC000011695865 557393843 /nfs/dbraw/zinc/39/38/43/557393843.db2.gz BQUSLBSXZPIZFP-UHFFFAOYSA-N 0 0 427.501 2.660 50 0 IFAARN CCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000011696154 557394140 /nfs/dbraw/zinc/39/41/40/557394140.db2.gz MSJGBHCZCMZACM-INIZCTEOSA-N 0 0 442.541 2.915 50 0 IFAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000024048308 557394243 /nfs/dbraw/zinc/39/42/43/557394243.db2.gz FPAZOAPZRHDKEQ-AWEZNQCLSA-N 0 0 440.468 2.700 50 0 IFAARN COc1ccc(CN(CC(=O)Nc2ccc(OC)cc2)S(=O)(=O)c2cccnc2)cc1 ZINC000011696067 557394249 /nfs/dbraw/zinc/39/42/49/557394249.db2.gz ICHHCQZEMSNWDX-UHFFFAOYSA-N 0 0 441.509 2.928 50 0 IFAARN CCOC(=O)C[C@H](c1ccccc1OCc1ccccn1)c1oc(CO)cc(=O)c1O ZINC000072401085 557394414 /nfs/dbraw/zinc/39/44/14/557394414.db2.gz KKBOMRYLRSTGRI-GOSISDBHSA-N 0 0 425.437 2.897 50 0 IFAARN O=C(Cn1ncc2c(c1=O)CCCC2)NCCn1ccc2cc(Br)ccc21 ZINC000072401105 557394448 /nfs/dbraw/zinc/39/44/48/557394448.db2.gz QRUDLDVQBBIUKZ-UHFFFAOYSA-N 0 0 429.318 2.656 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(OC(F)F)cc1 ZINC000024067822 557394806 /nfs/dbraw/zinc/39/48/06/557394806.db2.gz WYUCVNHPOWPINI-HNNXBMFYSA-N 0 0 427.473 2.733 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)cc1 ZINC000033441585 557398573 /nfs/dbraw/zinc/39/85/73/557398573.db2.gz DEQNVXPKBHMDLU-VDHUBAETSA-N 0 0 443.506 2.565 50 0 IFAARN CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000033445885 557398602 /nfs/dbraw/zinc/39/86/02/557398602.db2.gz FHPQTOCXDIHXDH-OAQYLSRUSA-N 0 0 425.916 2.992 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)c(C)c1 ZINC000033476306 557400803 /nfs/dbraw/zinc/40/08/03/557400803.db2.gz ZFBQYECZIVZEDX-UHFFFAOYSA-N 0 0 446.960 2.700 50 0 IFAARN Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000004906070 557403422 /nfs/dbraw/zinc/40/34/22/557403422.db2.gz AMHWQDJTZFWVGM-IBGZPJMESA-N 0 0 425.558 2.892 50 0 IFAARN COCCCNC(=O)CCc1c(C)nc2nc(-c3cc(OC)cc(OC)c3)nn2c1C ZINC000004936117 557411078 /nfs/dbraw/zinc/41/10/78/557411078.db2.gz VACAUNBJVGDYEI-UHFFFAOYSA-N 0 0 427.505 2.511 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000102897775 557411204 /nfs/dbraw/zinc/41/12/04/557411204.db2.gz CFUAPFMZRLYIIQ-ZIAGYGMSSA-N 0 0 435.406 2.790 50 0 IFAARN Cc1noc(C)c1NC(=O)c1cccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)c1 ZINC000408525063 557413849 /nfs/dbraw/zinc/41/38/49/557413849.db2.gz JPPIVMLAYAKYIG-UHFFFAOYSA-N 0 0 429.502 2.835 50 0 IFAARN COCCCn1c(C(=O)Nc2ccc(C(=O)OC)cc2)cc2c1nc1ccccn1c2=O ZINC000033588783 557414450 /nfs/dbraw/zinc/41/44/50/557414450.db2.gz MDYGEMXUVXPHRT-UHFFFAOYSA-N 0 0 434.452 2.725 50 0 IFAARN CCNC(=O)N(CCOC)CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2 ZINC000033614051 557421939 /nfs/dbraw/zinc/42/19/39/557421939.db2.gz CMICEEGOHPVOGZ-UHFFFAOYSA-N 0 0 447.557 2.992 50 0 IFAARN Cc1c(Cl)cnc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1Cl ZINC000103332531 557433865 /nfs/dbraw/zinc/43/38/65/557433865.db2.gz NGAQCJFKGIFDTB-SDDRHHMPSA-N 0 0 442.299 2.742 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3ccc(OC)cc3OC)C2=O)cc1 ZINC000223215889 557446910 /nfs/dbraw/zinc/44/69/10/557446910.db2.gz VBYYLMBVPLLPPK-GOSISDBHSA-N 0 0 427.457 2.552 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000223225331 557448221 /nfs/dbraw/zinc/44/82/21/557448221.db2.gz RQLZGPRGKSTWSN-HNAYVOBHSA-N 0 0 429.546 2.863 50 0 IFAARN CC(C)C[C@@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)c1nnc2ccccn21 ZINC000223238388 557449677 /nfs/dbraw/zinc/44/96/77/557449677.db2.gz QKEGTPZJUFTKKY-LJQANCHMSA-N 0 0 434.475 2.996 50 0 IFAARN CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nnc(N2CCC[C@H](C)C2)n1Cc1ccco1 ZINC000104099986 557450142 /nfs/dbraw/zinc/45/01/42/557450142.db2.gz IAPURFYWWVBNBM-LSDHHAIUSA-N 0 0 434.566 2.871 50 0 IFAARN COC(=O)c1ccc(Cn2cnc3c2c(=O)n(C(C)C)c(=O)n3-c2cccc(F)c2)cc1 ZINC000096280779 557451110 /nfs/dbraw/zinc/45/11/10/557451110.db2.gz UOSUVANPSYPEEP-UHFFFAOYSA-N 0 0 436.443 2.904 50 0 IFAARN CCOc1ccccc1C(=O)N1CCc2c(c(-c3nnc(SCC)n3C)nn2C)C1 ZINC000096332602 557451942 /nfs/dbraw/zinc/45/19/42/557451942.db2.gz AAAMLKKSDDSZJK-UHFFFAOYSA-N 0 0 426.546 2.925 50 0 IFAARN Cc1cc(C)n(CCCNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)n1 ZINC000024570353 557457969 /nfs/dbraw/zinc/45/79/69/557457969.db2.gz YRQXPLGAQPZHHN-UHFFFAOYSA-N 0 0 446.598 2.903 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[C@H]1C ZINC000104747655 557460086 /nfs/dbraw/zinc/46/00/86/557460086.db2.gz XTLWQNKCRURYSP-JTDSTZFVSA-N 0 0 427.998 2.587 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000104939573 557466029 /nfs/dbraw/zinc/46/60/29/557466029.db2.gz SWAYBVRZRWRULQ-WIYYLYMNSA-N 0 0 443.544 2.865 50 0 IFAARN COC(=O)C1C(CN2CCN(c3ccccc3C)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318439 557469743 /nfs/dbraw/zinc/46/97/43/557469743.db2.gz FUGKMBCGSIMEQA-QHCPKHFHSA-N 0 0 434.540 2.907 50 0 IFAARN COC(=O)C1C(CN2CCN(c3cccc(C)c3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318365 557469877 /nfs/dbraw/zinc/46/98/77/557469877.db2.gz OHCZCQOEWDJONA-HSZRJFAPSA-N 0 0 434.540 2.907 50 0 IFAARN COc1ccc(CN(CC(=O)N2c3ccccc3C[C@@H]2C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000105554718 557507661 /nfs/dbraw/zinc/50/76/61/557507661.db2.gz WOHVFLKWHMIXLP-PXNSSMCTSA-N 0 0 428.554 2.662 50 0 IFAARN O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCN(c2ccccc2O)CC1 ZINC000105840645 557511689 /nfs/dbraw/zinc/51/16/89/557511689.db2.gz IDLLWVRUUWJIQY-HNNXBMFYSA-N 0 0 444.329 2.856 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)[C@H]1C ZINC000105879266 557512233 /nfs/dbraw/zinc/51/22/33/557512233.db2.gz VRULPJNKWFMJKE-DVOMOZLQSA-N 0 0 425.323 2.663 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000110522565 557514524 /nfs/dbraw/zinc/51/45/24/557514524.db2.gz VLNGPEQLJOGPIG-OFQRWUPVSA-N 0 0 438.956 2.869 50 0 IFAARN CCOC(=O)c1ccc(N2CCCN([C@H](C)C(=O)Nc3ccccc3OC)CC2)nc1 ZINC000106176407 557521531 /nfs/dbraw/zinc/52/15/31/557521531.db2.gz BXOCSAUOAWNCIY-QGZVFWFLSA-N 0 0 426.517 2.806 50 0 IFAARN O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019817572 557522678 /nfs/dbraw/zinc/52/26/78/557522678.db2.gz ZGQSDRDEQWKIGV-VQIMIIECSA-N 0 0 448.479 2.903 50 0 IFAARN O=C(c1ccc(Cn2nnc3ccccc3c2=O)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000149803799 557522879 /nfs/dbraw/zinc/52/28/79/557522879.db2.gz TWFMDTXMBPQUAR-UHFFFAOYSA-N 0 0 439.519 2.798 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCOC(=O)/C=C/c2cccc(F)c2)cc1 ZINC000003211372 557523466 /nfs/dbraw/zinc/52/34/66/557523466.db2.gz OECSCSKSLQYAAL-MDWZMJQESA-N 0 0 448.516 2.843 50 0 IFAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031354 557524486 /nfs/dbraw/zinc/52/44/86/557524486.db2.gz MKPVHGGRRVTCKQ-GFCCVEGCSA-N 0 0 449.884 2.831 50 0 IFAARN COc1ccc(C(=O)NCCn2ncc3c2ncn(Cc2cccc(Cl)c2)c3=O)cc1 ZINC000012071396 557526579 /nfs/dbraw/zinc/52/65/79/557526579.db2.gz KDQXTTJJOSSONB-UHFFFAOYSA-N 0 0 437.887 2.733 50 0 IFAARN O=C(NCCn1ncc2c1ncn(Cc1ccccc1F)c2=O)c1ccccc1Cl ZINC000012071553 557526585 /nfs/dbraw/zinc/52/65/85/557526585.db2.gz GNOBAFYHTXRFEA-UHFFFAOYSA-N 0 0 425.851 2.864 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1)O[C@@H](C)C(=O)N2 ZINC000106324842 557528181 /nfs/dbraw/zinc/52/81/81/557528181.db2.gz UDEJZKSQDKFBPF-SUMWQHHRSA-N 0 0 447.488 2.645 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)NC1CCCCCC1)O[C@@H](C)C(=O)N2 ZINC000106324805 557528217 /nfs/dbraw/zinc/52/82/17/557528217.db2.gz HHJNTSREHYADLE-YJBOKZPZSA-N 0 0 449.573 2.707 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCCCCC1)O[C@@H](C)C(=O)N2 ZINC000106324809 557528232 /nfs/dbraw/zinc/52/82/32/557528232.db2.gz HHJNTSREHYADLE-MAUKXSAKSA-N 0 0 449.573 2.707 50 0 IFAARN CCc1ccc(N2C(=O)C[C@H](N3CCC(n4nnc(-c5cccs5)n4)CC3)C2=O)cc1 ZINC000025174510 557528740 /nfs/dbraw/zinc/52/87/40/557528740.db2.gz GJQADHRXOFQAMQ-SFHVURJKSA-N 0 0 436.541 2.933 50 0 IFAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000044840506 557539290 /nfs/dbraw/zinc/53/92/90/557539290.db2.gz QMCTYWSPBUUJJW-QGZVFWFLSA-N 0 0 438.503 2.622 50 0 IFAARN COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O ZINC000044840997 557539306 /nfs/dbraw/zinc/53/93/06/557539306.db2.gz XMBQDASQQINGEP-UHFFFAOYSA-N 0 0 446.301 2.601 50 0 IFAARN CC(=O)N(C[C@H]1CCCO1)c1nc(C)c(C(=O)Nc2ccc(Cn3cncn3)cc2)s1 ZINC000044902895 557540441 /nfs/dbraw/zinc/54/04/41/557540441.db2.gz GDLAKHILQONJHP-GOSISDBHSA-N 0 0 440.529 2.876 50 0 IFAARN COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000044974191 557542289 /nfs/dbraw/zinc/54/22/89/557542289.db2.gz IGWYSJOINDAIAR-HXUWFJFHSA-N 0 0 447.491 2.667 50 0 IFAARN COc1ccc([C@@H]2[C@H](C(=O)O[C@H](C)C(N)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000108843242 557543995 /nfs/dbraw/zinc/54/39/95/557543995.db2.gz JXUJEYSAOSCDJG-YBOAYWMSSA-N 0 0 440.496 2.914 50 0 IFAARN CCN1C[C@@H](CN(C)C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)Oc2ccccc21 ZINC000109036960 557545280 /nfs/dbraw/zinc/54/52/80/557545280.db2.gz SYIPVXAMMQYVTP-CTNGQTDRSA-N 0 0 438.507 2.650 50 0 IFAARN CCN1C[C@H](CN(C)C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)Oc2ccccc21 ZINC000109036962 557545348 /nfs/dbraw/zinc/54/53/48/557545348.db2.gz SYIPVXAMMQYVTP-FPOVZHCZSA-N 0 0 438.507 2.650 50 0 IFAARN O=C(NCCN1CCOCC1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000045824009 557545990 /nfs/dbraw/zinc/54/59/90/557545990.db2.gz LHHIFEAOHOJHPQ-UHFFFAOYSA-N 0 0 425.573 2.581 50 0 IFAARN CN1c2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2C(=C2CCCC2)C1=O ZINC000045895117 557546458 /nfs/dbraw/zinc/54/64/58/557546458.db2.gz MISRLCOXNIIRIX-UHFFFAOYSA-N 0 0 438.553 2.897 50 0 IFAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)C1 ZINC000045895176 557546472 /nfs/dbraw/zinc/54/64/72/557546472.db2.gz PTQGPESDTGLHOG-INIZCTEOSA-N 0 0 432.542 2.954 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)[nH]nc(SCc4cc(=O)n5ccccc5n4)n3n2)cc1 ZINC000045972008 557555534 /nfs/dbraw/zinc/55/55/34/557555534.db2.gz NGALSDJJCRXQLU-UHFFFAOYSA-N 0 0 446.492 2.784 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3nc(N(CC)CC)sc3c2=O)cc1 ZINC000045970282 557557804 /nfs/dbraw/zinc/55/78/04/557557804.db2.gz ZYWCTVCLXCZVFN-UHFFFAOYSA-N 0 0 429.502 2.515 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)Cn2cnc3nc(N(CC)CC)sc3c2=O)c1 ZINC000045970294 557557955 /nfs/dbraw/zinc/55/79/55/557557955.db2.gz RHSCFRNBOLUTDR-UHFFFAOYSA-N 0 0 429.502 2.515 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2cnc3nc(N4CCSCC4)sc3c2=O)c(C)c1 ZINC000045970694 557558061 /nfs/dbraw/zinc/55/80/61/557558061.db2.gz KRZGVIVHNHLEDK-UHFFFAOYSA-N 0 0 429.571 2.970 50 0 IFAARN O=C(Cn1cnc2nc(N3CCSCC3)sc2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000045970708 557558098 /nfs/dbraw/zinc/55/80/98/557558098.db2.gz XNUGZSOXLPZQEN-UHFFFAOYSA-N 0 0 439.925 2.837 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCCCOc1cccnc1 ZINC000014980779 557606203 /nfs/dbraw/zinc/60/62/03/557606203.db2.gz XHRGMAKHUCGLEC-HSZRJFAPSA-N 0 0 432.524 2.511 50 0 IFAARN CS(=O)(=O)NCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 ZINC000039931435 557666646 /nfs/dbraw/zinc/66/66/46/557666646.db2.gz NTBANEMUBSKQOJ-UHFFFAOYSA-N 0 0 436.324 2.974 50 0 IFAARN O=C(c1cccc(-n2cccn2)n1)N1CCC(O)(c2scnc2Br)CC1 ZINC000225489317 557729122 /nfs/dbraw/zinc/72/91/22/557729122.db2.gz FQQJGWUTERJDHS-UHFFFAOYSA-N 0 0 434.319 2.610 50 0 IFAARN Cc1ccc([C@@H](O)CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000225564536 557743034 /nfs/dbraw/zinc/74/30/34/557743034.db2.gz HZFSWJXITAXUCM-FQEVSTJZSA-N 0 0 436.961 2.899 50 0 IFAARN CC(C)Cc1ncnc(NCc2ccc(S(N)(=O)=O)cc2)c1I ZINC000225649860 557756816 /nfs/dbraw/zinc/75/68/16/557756816.db2.gz DEYSEVQSALBJPA-UHFFFAOYSA-N 0 0 446.314 2.539 50 0 IFAARN CC(C)Cc1ncnc(N2CCC[C@H](c3nncn3C)C2)c1I ZINC000225650458 557756909 /nfs/dbraw/zinc/75/69/09/557756909.db2.gz GHSVBOWPEREFIT-LBPRGKRZSA-N 0 0 426.306 2.792 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCC2(CC1)OCCO2 ZINC000024995339 557830457 /nfs/dbraw/zinc/83/04/57/557830457.db2.gz ICVIROVCNVFAEK-UHFFFAOYSA-N 0 0 434.489 2.914 50 0 IFAARN COC(=O)c1n[nH]c2ccc(NC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)cc21 ZINC000025016307 557832548 /nfs/dbraw/zinc/83/25/48/557832548.db2.gz BWJYMWFCGOCKBS-UHFFFAOYSA-N 0 0 436.449 2.650 50 0 IFAARN C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2Br)C[C@@H](C)O1 ZINC000229656559 557832766 /nfs/dbraw/zinc/83/27/66/557832766.db2.gz ZPSQBQIRCKGMAU-UMVBOHGHSA-N 0 0 435.359 2.851 50 0 IFAARN CCOc1cc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)ccc1O ZINC000239433061 557844697 /nfs/dbraw/zinc/84/46/97/557844697.db2.gz XECKZJRXQSHIAF-GLHSZLCASA-N 0 0 436.501 2.734 50 0 IFAARN O=C(NCCc1cccc(Cl)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000242273703 557847528 /nfs/dbraw/zinc/84/75/28/557847528.db2.gz YFFTVAYNMAVAIZ-KRWDZBQOSA-N 0 0 443.352 2.742 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)cc1 ZINC000000886877 557855762 /nfs/dbraw/zinc/85/57/62/557855762.db2.gz DBIVQCFSOOQINR-FQEVSTJZSA-N 0 0 432.542 2.884 50 0 IFAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000003216205 562932872 /nfs/dbraw/zinc/93/28/72/562932872.db2.gz FVOMCIWXZIXYHF-KBPBESRZSA-N 0 0 445.379 2.588 50 0 IFAARN CCS(=O)(=O)Nc1ccc(-c2ccc(NS(=O)(=O)CC)c(OC)c2)cc1OC ZINC000001116315 562920508 /nfs/dbraw/zinc/92/05/08/562920508.db2.gz WCNQIIHWNXOJQB-UHFFFAOYSA-N 0 0 428.532 2.894 50 0 IFAARN COCCCN1CC(=O)N2[C@H](c3cccc(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002104967 562925836 /nfs/dbraw/zinc/92/58/36/562925836.db2.gz PJBBSBPTBKLNPE-XUZZJYLKSA-N 0 0 433.508 2.898 50 0 IFAARN COCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2)C1=O ZINC000002104968 562925838 /nfs/dbraw/zinc/92/58/38/562925838.db2.gz PJBBSBPTBKLNPE-URXFXBBRSA-N 0 0 433.508 2.898 50 0 IFAARN CCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000002267132 562926723 /nfs/dbraw/zinc/92/67/23/562926723.db2.gz VZHSXXUPQZBDOT-UHFFFAOYSA-N 0 0 436.531 2.885 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccc(Cl)cn1 ZINC000002621751 562928544 /nfs/dbraw/zinc/92/85/44/562928544.db2.gz WNRARTCHRMRSCW-UHFFFAOYSA-N 0 0 449.872 2.602 50 0 IFAARN CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000002629961 562928750 /nfs/dbraw/zinc/92/87/50/562928750.db2.gz QNFJSZLAVLYOII-SCLBCKFNSA-N 0 0 434.518 2.518 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)NC[C@@H]1CCCO1 ZINC000002653607 562929405 /nfs/dbraw/zinc/92/94/05/562929405.db2.gz FDDOGQVRPHQQFF-KRWDZBQOSA-N 0 0 427.501 2.971 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000002659928 562929622 /nfs/dbraw/zinc/92/96/22/562929622.db2.gz QOBMBJQFYPDGRM-HNNXBMFYSA-N 0 0 446.525 2.557 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000002871241 562930337 /nfs/dbraw/zinc/93/03/37/562930337.db2.gz ADUBNERKVPXFIG-UHFFFAOYSA-N 0 0 426.878 2.773 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 ZINC000002889314 562930428 /nfs/dbraw/zinc/93/04/28/562930428.db2.gz NBFOIWUHSGFVNS-NSHDSACASA-N 0 0 435.571 2.506 50 0 IFAARN O=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F ZINC000003020953 562931721 /nfs/dbraw/zinc/93/17/21/562931721.db2.gz MJWHCRCDIWQGSF-UHFFFAOYSA-N 0 0 440.537 2.806 50 0 IFAARN O=c1c2ccccc2sn1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000003206012 562932793 /nfs/dbraw/zinc/93/27/93/562932793.db2.gz NQBINQNEBDVFFF-UHFFFAOYSA-N 0 0 445.566 2.673 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)Cn1cnc3ccccc31)CCCC2 ZINC000003279996 562933703 /nfs/dbraw/zinc/93/37/03/562933703.db2.gz CAWYCBRBZMYZNF-UHFFFAOYSA-N 0 0 427.482 2.945 50 0 IFAARN COC[C@H](C)NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 ZINC000003288113 562933745 /nfs/dbraw/zinc/93/37/45/562933745.db2.gz NEFZWPZYUJWWTO-HNNXBMFYSA-N 0 0 441.557 2.503 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cc(C)on3)cc2)cc1 ZINC000003293320 562933823 /nfs/dbraw/zinc/93/38/23/562933823.db2.gz JENJUGAPZIICFI-UHFFFAOYSA-N 0 0 431.470 2.834 50 0 IFAARN COc1ccc(NC(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1Cl ZINC000003301706 562933882 /nfs/dbraw/zinc/93/38/82/562933882.db2.gz CPKSYNREEUJGSK-UHFFFAOYSA-N 0 0 430.844 2.907 50 0 IFAARN Cc1c(NC(=O)COC(=O)c2ccc(Br)o2)c(=O)n(-c2ccccc2)n1C ZINC000003312923 562934058 /nfs/dbraw/zinc/93/40/58/562934058.db2.gz FCHILFPJMWLHDR-UHFFFAOYSA-N 0 0 434.246 2.635 50 0 IFAARN CCOc1ccccc1N1C[C@@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1=O ZINC000003411505 562935368 /nfs/dbraw/zinc/93/53/68/562935368.db2.gz FCRXASDBUJAROX-KRWDZBQOSA-N 0 0 434.496 2.875 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)ccc1Cl ZINC000003433445 562935742 /nfs/dbraw/zinc/93/57/42/562935742.db2.gz UYWFYKLHLOELKD-QGZVFWFLSA-N 0 0 436.917 2.599 50 0 IFAARN Cc1cc(NC(=O)COC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)no1 ZINC000003431760 562935783 /nfs/dbraw/zinc/93/57/83/562935783.db2.gz YCXSPBXETGYFRG-UHFFFAOYSA-N 0 0 429.454 2.604 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)ccc1Cl ZINC000003433443 562935793 /nfs/dbraw/zinc/93/57/93/562935793.db2.gz UYWFYKLHLOELKD-KRWDZBQOSA-N 0 0 436.917 2.599 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000003442415 562935896 /nfs/dbraw/zinc/93/58/96/562935896.db2.gz PTOYVIJBEHHAMP-UHFFFAOYSA-N 0 0 433.482 2.528 50 0 IFAARN O=C(OCCOc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000003523800 562936339 /nfs/dbraw/zinc/93/63/39/562936339.db2.gz POLDTFMVZHTGEY-UHFFFAOYSA-N 0 0 425.890 2.597 50 0 IFAARN COc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)coc2c1 ZINC000003547389 562936415 /nfs/dbraw/zinc/93/64/15/562936415.db2.gz MWAPIIYPALDNNU-UHFFFAOYSA-N 0 0 432.473 2.656 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCc3ccccc3)c(O)c2c1 ZINC000004004822 562940666 /nfs/dbraw/zinc/94/06/66/562940666.db2.gz GQPRAORODVEHEE-UHFFFAOYSA-N 0 0 427.526 2.531 50 0 IFAARN CCOc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)cc1 ZINC000004035816 562941186 /nfs/dbraw/zinc/94/11/86/562941186.db2.gz VEGPRFRCBRPIDR-UHFFFAOYSA-N 0 0 425.466 2.522 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)N1CCc2ccccc2C1 ZINC000004076725 562941489 /nfs/dbraw/zinc/94/14/89/562941489.db2.gz LRKPYYOHXZOOAE-GOSISDBHSA-N 0 0 430.555 2.579 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000004077790 562941522 /nfs/dbraw/zinc/94/15/22/562941522.db2.gz XZQIUHNVLOXAEJ-UHFFFAOYSA-N 0 0 435.415 2.537 50 0 IFAARN COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)n[nH]c1C ZINC000004102120 562941920 /nfs/dbraw/zinc/94/19/20/562941920.db2.gz AVWNADFHMQFOJN-UHFFFAOYSA-N 0 0 442.541 2.855 50 0 IFAARN O=C([C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)N1CCc2ccccc2C1 ZINC000004101920 562941946 /nfs/dbraw/zinc/94/19/46/562941946.db2.gz LSZAQYGDDGYJDN-QGZVFWFLSA-N 0 0 442.566 2.677 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000004143562 562942330 /nfs/dbraw/zinc/94/23/30/562942330.db2.gz GUEFTEWLVKIZIA-INIZCTEOSA-N 0 0 425.938 2.704 50 0 IFAARN CN(C)S(=O)(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 ZINC000006576820 562947362 /nfs/dbraw/zinc/94/73/62/562947362.db2.gz LWEBIUKLNWRIHH-VQIMIIECSA-N 0 0 436.505 2.845 50 0 IFAARN CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3cc4sccc4n3CC)CC2)CC1 ZINC000006577372 562947608 /nfs/dbraw/zinc/94/76/08/562947608.db2.gz ZXQVEMKWURAWID-UHFFFAOYSA-N 0 0 446.573 2.876 50 0 IFAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)cc1 ZINC000006578081 562948010 /nfs/dbraw/zinc/94/80/10/562948010.db2.gz MMTDYDNWJBDSJB-HKBQPEDESA-N 0 0 442.493 2.952 50 0 IFAARN CCN1CCN(C(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2Cl)CC1 ZINC000008315688 562949153 /nfs/dbraw/zinc/94/91/53/562949153.db2.gz FVXFWTLQBCZYEH-HOTGVXAUSA-N 0 0 427.998 2.784 50 0 IFAARN CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccccc2Cl)n1)c1ccc(OC)cc1 ZINC000008583719 562949869 /nfs/dbraw/zinc/94/98/69/562949869.db2.gz SVGYKBQUAYXOFU-GOSISDBHSA-N 0 0 443.891 2.813 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1OC ZINC000008583932 562949934 /nfs/dbraw/zinc/94/99/34/562949934.db2.gz PTLWORFNQUFGAX-UHFFFAOYSA-N 0 0 447.495 2.533 50 0 IFAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1 ZINC000008584762 562950083 /nfs/dbraw/zinc/95/00/83/562950083.db2.gz IRUGXSLUUXNGHP-FQEVSTJZSA-N 0 0 426.494 2.536 50 0 IFAARN O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)NCc1cccc(Br)c1 ZINC000008587596 562950332 /nfs/dbraw/zinc/95/03/32/562950332.db2.gz LVRIDAVPGOBKER-UHFFFAOYSA-N 0 0 444.314 2.698 50 0 IFAARN COc1ccc(-n2ccn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2=O)cc1OC ZINC000008588333 562950669 /nfs/dbraw/zinc/95/06/69/562950669.db2.gz BGGXOTHCKOADJT-UHFFFAOYSA-N 0 0 449.385 2.674 50 0 IFAARN COc1cc(-c2nc3n(n2)[C@H](c2ccc(F)cc2)C(C(N)=O)=C(C)N3)cc(OC)c1OC ZINC000008589944 562951420 /nfs/dbraw/zinc/95/14/20/562951420.db2.gz PQMNSEXBTSSKCD-GOSISDBHSA-N 0 0 439.447 2.884 50 0 IFAARN COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000008590698 562951788 /nfs/dbraw/zinc/95/17/88/562951788.db2.gz BVWQYPOUBPVEHC-UHFFFAOYSA-N 0 0 441.553 2.992 50 0 IFAARN Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000008595640 562953526 /nfs/dbraw/zinc/95/35/26/562953526.db2.gz OONQZNCNGIWORE-INIZCTEOSA-N 0 0 430.555 2.717 50 0 IFAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000008595638 562953542 /nfs/dbraw/zinc/95/35/42/562953542.db2.gz OONQZNCNGIWORE-MRXNPFEDSA-N 0 0 430.555 2.717 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCc3ccccc3Cl)ccc21 ZINC000008596076 562953683 /nfs/dbraw/zinc/95/36/83/562953683.db2.gz YRJZENWRWTZMSF-UHFFFAOYSA-N 0 0 449.960 2.624 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N[C@@H](C)c3ccccc3)ccc21 ZINC000008596134 562953759 /nfs/dbraw/zinc/95/37/59/562953759.db2.gz BYBGYQRLNBPMGP-INIZCTEOSA-N 0 0 429.542 2.532 50 0 IFAARN CCc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCOCC4)c(F)cc3c2=O)cc1 ZINC000008596643 562953826 /nfs/dbraw/zinc/95/38/26/562953826.db2.gz VFOKGJNTHNRJMT-UHFFFAOYSA-N 0 0 430.501 2.909 50 0 IFAARN CCc1ccccc1NC(=O)Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000008600893 562955126 /nfs/dbraw/zinc/95/51/26/562955126.db2.gz AJLMNJHLVMOGTC-UHFFFAOYSA-N 0 0 439.537 2.987 50 0 IFAARN O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1 ZINC000008601241 562955250 /nfs/dbraw/zinc/95/52/50/562955250.db2.gz UKBPGRQPMPFJCS-IBGZPJMESA-N 0 0 428.535 2.696 50 0 IFAARN COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000008601912 562955734 /nfs/dbraw/zinc/95/57/34/562955734.db2.gz WCTQNYBCSWKUST-MRXNPFEDSA-N 0 0 445.515 2.982 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000008602720 562955872 /nfs/dbraw/zinc/95/58/72/562955872.db2.gz ZOXRVKDWEYGIIS-INIZCTEOSA-N 0 0 448.545 2.551 50 0 IFAARN CCc1nn(CC(=O)NCCc2ccc(OC)cc2OC)c(=O)c2cc3sccc3n21 ZINC000008605001 562956504 /nfs/dbraw/zinc/95/65/04/562956504.db2.gz NZRKPJOMMSBDSW-UHFFFAOYSA-N 0 0 440.525 2.649 50 0 IFAARN Cc1ccc(C(=O)NCC(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000008605484 562956736 /nfs/dbraw/zinc/95/67/36/562956736.db2.gz GRAZGBIIWBDRJU-UHFFFAOYSA-N 0 0 440.525 2.980 50 0 IFAARN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000008605834 562956881 /nfs/dbraw/zinc/95/68/81/562956881.db2.gz GBVBTELNKWLNLP-UHFFFAOYSA-N 0 0 445.497 2.559 50 0 IFAARN CC(=O)c1cccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)c1 ZINC000008608033 562957434 /nfs/dbraw/zinc/95/74/34/562957434.db2.gz GRAPPPAPZIUSEQ-UHFFFAOYSA-N 0 0 432.546 2.906 50 0 IFAARN CCN(C(=O)Cn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O)c1cccc(C)c1 ZINC000008611476 562958627 /nfs/dbraw/zinc/95/86/27/562958627.db2.gz XKBPWFYWEKTLJJ-UHFFFAOYSA-N 0 0 443.525 2.741 50 0 IFAARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000008691997 562963610 /nfs/dbraw/zinc/96/36/10/562963610.db2.gz BTFOGISTOKSZMJ-UHFFFAOYSA-N 0 0 426.469 2.667 50 0 IFAARN COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000008692797 562963659 /nfs/dbraw/zinc/96/36/59/562963659.db2.gz JYYPSYNMAPZBIT-KPKJPENVSA-N 0 0 444.509 2.675 50 0 IFAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)Nc2cccc(F)c2)C(C)C)c1 ZINC000008693974 562963710 /nfs/dbraw/zinc/96/37/10/562963710.db2.gz OTCONRIPVFDVLA-FQEVSTJZSA-N 0 0 432.448 2.779 50 0 IFAARN CC[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000008965053 562966312 /nfs/dbraw/zinc/96/63/12/562966312.db2.gz WZBWBROYRWYORQ-INIZCTEOSA-N 0 0 438.484 2.878 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CN2c3cccnc3Sc3ccccc3C2=O)CC1 ZINC000009114942 562967109 /nfs/dbraw/zinc/96/71/09/562967109.db2.gz GWJYTWQSXUFYIF-UHFFFAOYSA-N 0 0 425.510 2.995 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(C[S@@](=O)c3ccc(F)cc3)o2)CC1 ZINC000009115770 562967175 /nfs/dbraw/zinc/96/71/75/562967175.db2.gz VXMUTHREXWTYNY-PMERELPUSA-N 0 0 430.457 2.918 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000009124748 562967463 /nfs/dbraw/zinc/96/74/63/562967463.db2.gz MEPGQCRLMHFWDO-IBGZPJMESA-N 0 0 441.553 2.848 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000009127701 562967593 /nfs/dbraw/zinc/96/75/93/562967593.db2.gz CTWHMSDTUGPDSW-KRWDZBQOSA-N 0 0 445.541 2.750 50 0 IFAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000009226306 562968249 /nfs/dbraw/zinc/96/82/49/562968249.db2.gz OKEMWCRXMSXQIK-GJZGRUSLSA-N 0 0 443.525 2.553 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000009245145 562968437 /nfs/dbraw/zinc/96/84/37/562968437.db2.gz UPYKIACVKNPZHV-UHFFFAOYSA-N 0 0 430.530 2.504 50 0 IFAARN COc1ccccc1OCc1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C ZINC000009289751 562968969 /nfs/dbraw/zinc/96/89/69/562968969.db2.gz KLHQIAQHZUEEJZ-UHFFFAOYSA-N 0 0 432.531 2.862 50 0 IFAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NCc1cccc(Cl)c1 ZINC000009317740 562969302 /nfs/dbraw/zinc/96/93/02/562969302.db2.gz FQFVDXQNPSOOCH-UHFFFAOYSA-N 0 0 428.703 2.809 50 0 IFAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)CS(=O)(=O)C3)cc1C ZINC000009391562 562969822 /nfs/dbraw/zinc/96/98/22/562969822.db2.gz GHABBWXKEZDIOA-UHFFFAOYSA-N 0 0 425.466 2.899 50 0 IFAARN CCCCn1c(=O)c2ccc(C(=O)OC)cc2nc1S[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000009398029 562970024 /nfs/dbraw/zinc/97/00/24/562970024.db2.gz GZTUGYIMFUKECH-GDBMZVCRSA-N 0 0 447.557 2.759 50 0 IFAARN CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)C1 ZINC000009429444 562970566 /nfs/dbraw/zinc/97/05/66/562970566.db2.gz XUVDRLNSIDTRLT-XYJFISCASA-N 0 0 447.601 2.690 50 0 IFAARN O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000009430767 562970596 /nfs/dbraw/zinc/97/05/96/562970596.db2.gz LSUNLZSFYQZKGI-HNNXBMFYSA-N 0 0 429.473 2.707 50 0 IFAARN COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000009430850 562970714 /nfs/dbraw/zinc/97/07/14/562970714.db2.gz DDSWDXKQMLCQDF-INIZCTEOSA-N 0 0 441.509 2.576 50 0 IFAARN CSCC[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCC1 ZINC000009448303 562971288 /nfs/dbraw/zinc/97/12/88/562971288.db2.gz BQOVBGBYOWXBEH-FIKGOQFSSA-N 0 0 433.599 2.553 50 0 IFAARN CC(C)CN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009465280 562971617 /nfs/dbraw/zinc/97/16/17/562971617.db2.gz ULZNSELRDPFZCU-GOSISDBHSA-N 0 0 448.614 2.909 50 0 IFAARN COc1cccc(CNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 ZINC000009465535 562971631 /nfs/dbraw/zinc/97/16/31/562971631.db2.gz UGNRKHIOKZKNKG-UHFFFAOYSA-N 0 0 429.476 2.807 50 0 IFAARN CC[C@H]1CCCCN1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl ZINC000009509303 562972539 /nfs/dbraw/zinc/97/25/39/562972539.db2.gz PWCWIKUGXATWTE-HNNXBMFYSA-N 0 0 430.954 2.531 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)c1 ZINC000009592866 562973768 /nfs/dbraw/zinc/97/37/68/562973768.db2.gz UGRRRCCHRWFYDP-UHFFFAOYSA-N 0 0 447.582 2.904 50 0 IFAARN COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 ZINC000009671555 562975180 /nfs/dbraw/zinc/97/51/80/562975180.db2.gz MBWWLLMDKNSAOJ-QGZVFWFLSA-N 0 0 429.542 2.775 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(OC)c(OC)c3)ccc21 ZINC000009677231 562975382 /nfs/dbraw/zinc/97/53/82/562975382.db2.gz JREFWDOGMIJLIX-UHFFFAOYSA-N 0 0 446.525 2.805 50 0 IFAARN CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009677373 562975405 /nfs/dbraw/zinc/97/54/05/562975405.db2.gz QABAJLZQQHIFFX-UHFFFAOYSA-N 0 0 430.555 2.751 50 0 IFAARN Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1C ZINC000009684639 562975522 /nfs/dbraw/zinc/97/55/22/562975522.db2.gz HLVHDYNIMRYGCF-UHFFFAOYSA-N 0 0 428.963 2.930 50 0 IFAARN O=C(Nc1ccncc1)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009694118 562975611 /nfs/dbraw/zinc/97/56/11/562975611.db2.gz NZDLCFWYKQHWQY-UHFFFAOYSA-N 0 0 431.543 2.810 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c(C)c1 ZINC000009704102 562975640 /nfs/dbraw/zinc/97/56/40/562975640.db2.gz UTDBVJUJERVSMQ-UHFFFAOYSA-N 0 0 440.521 2.865 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000009716611 562975942 /nfs/dbraw/zinc/97/59/42/562975942.db2.gz ASXNWLHDNRTZIG-UHFFFAOYSA-N 0 0 438.571 2.940 50 0 IFAARN CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009725537 562976100 /nfs/dbraw/zinc/97/61/00/562976100.db2.gz ZWWPGVMOTWDFNM-UHFFFAOYSA-N 0 0 447.944 2.855 50 0 IFAARN CCOc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)CC2=O)cc1 ZINC000009730238 562976218 /nfs/dbraw/zinc/97/62/18/562976218.db2.gz QMZRZBLWTHKDHJ-GFCCVEGCSA-N 0 0 435.402 2.610 50 0 IFAARN CCn1cc(C(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc21 ZINC000009730962 562976265 /nfs/dbraw/zinc/97/62/65/562976265.db2.gz BBKNDMUJDUEQPX-IRXDYDNUSA-N 0 0 445.585 2.924 50 0 IFAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000009743256 562976354 /nfs/dbraw/zinc/97/63/54/562976354.db2.gz LWIGYQMBQSQXMY-SFHVURJKSA-N 0 0 433.505 2.514 50 0 IFAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1cccc(F)c1 ZINC000009746791 562976533 /nfs/dbraw/zinc/97/65/33/562976533.db2.gz KSCLTWRGNLURDR-INIZCTEOSA-N 0 0 439.534 2.575 50 0 IFAARN Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1cccc(Br)c1 ZINC000009749039 562976623 /nfs/dbraw/zinc/97/66/23/562976623.db2.gz QVDJBFDWJJWYCS-UHFFFAOYSA-N 0 0 430.262 2.695 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000009833429 562977343 /nfs/dbraw/zinc/97/73/43/562977343.db2.gz QUOTYCXIUGBJIT-HXUWFJFHSA-N 0 0 444.553 2.889 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000009892518 562977715 /nfs/dbraw/zinc/97/77/15/562977715.db2.gz GQHXQCRPIKDASM-OXJNMPFZSA-N 0 0 442.512 2.959 50 0 IFAARN O=C(CN1CCCSc2ccccc21)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000009952670 562977832 /nfs/dbraw/zinc/97/78/32/562977832.db2.gz NSWPKVXMCRCCQR-UHFFFAOYSA-N 0 0 449.573 2.661 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)CC2=O)cc1 ZINC000009963803 562978071 /nfs/dbraw/zinc/97/80/71/562978071.db2.gz ZTJDURDJLWKEJG-INIZCTEOSA-N 0 0 432.484 2.911 50 0 IFAARN CC(C)[C@@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012876609 562983382 /nfs/dbraw/zinc/98/33/82/562983382.db2.gz BJLNUBUORVZSKO-KFSOKAEPSA-N 0 0 438.528 2.523 50 0 IFAARN COc1cc(C)cc2oc(=O)c(CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(C)c12 ZINC000012890776 562983462 /nfs/dbraw/zinc/98/34/62/562983462.db2.gz MZRREKJHMFNUGF-SJORKVTESA-N 0 0 434.492 2.769 50 0 IFAARN CC1CCN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)CC1 ZINC000012929088 562983499 /nfs/dbraw/zinc/98/34/99/562983499.db2.gz QOYIGQKEXVLEMB-GOSISDBHSA-N 0 0 428.558 2.981 50 0 IFAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)CSCC(=O)Nc1ccc(OC)cc1 ZINC000012971886 562983685 /nfs/dbraw/zinc/98/36/85/562983685.db2.gz LWOJCKZXTUFPMP-UHFFFAOYSA-N 0 0 445.541 2.863 50 0 IFAARN COC(CNC(=O)C[C@H]1C(=O)N(Cc2ccccc2)[C@H](C)c2nc3ccccc3n21)OC ZINC000013118711 562984654 /nfs/dbraw/zinc/98/46/54/562984654.db2.gz HFPLPEXBLXLDHB-UZLBHIALSA-N 0 0 436.512 2.806 50 0 IFAARN COc1ccc(Nc2nc(O)c(CC(=O)NCCc3ccc(OC)c(OC)c3)s2)cc1 ZINC000013144237 562985258 /nfs/dbraw/zinc/98/52/58/562985258.db2.gz PJWJEGYONSFCBF-LJQANCHMSA-N 0 0 443.525 2.871 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000013637833 562998256 /nfs/dbraw/zinc/99/82/56/562998256.db2.gz IHRXUSKCTVQFLE-OAHLLOKOSA-N 0 0 426.897 2.866 50 0 IFAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H]3COc4ccccc4O3)C2=O)cc1 ZINC000013865588 563013590 /nfs/dbraw/zinc/01/35/90/563013590.db2.gz JLXJZVIFHCHJSG-LSCADSNKSA-N 0 0 440.477 2.688 50 0 IFAARN COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000015935227 563018623 /nfs/dbraw/zinc/01/86/23/563018623.db2.gz AUGSMJBZEFFSDR-UHFFFAOYSA-N 0 0 433.349 2.504 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)C[S@@](=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1 ZINC000015937065 563019119 /nfs/dbraw/zinc/01/91/19/563019119.db2.gz RMWYHSJBEXXZRF-WJOKGBTCSA-N 0 0 447.557 2.944 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000015940516 563019296 /nfs/dbraw/zinc/01/92/96/563019296.db2.gz RMYCWEMAERZQCK-LLVKDONJSA-N 0 0 435.527 2.631 50 0 IFAARN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000015941726 563019517 /nfs/dbraw/zinc/01/95/17/563019517.db2.gz CPZSFCQAASRACT-UHFFFAOYSA-N 0 0 443.525 2.619 50 0 IFAARN COc1ccc(N2C[C@H](NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)cc1OC ZINC000016048058 563020817 /nfs/dbraw/zinc/02/08/17/563020817.db2.gz OACPMPHDJOJOON-QGZVFWFLSA-N 0 0 426.494 2.941 50 0 IFAARN COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000036383627 563094236 /nfs/dbraw/zinc/09/42/36/563094236.db2.gz KCYGLJHIQOKFQT-HNNXBMFYSA-N 0 0 434.514 2.756 50 0 IFAARN CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCN1CCN(c2cccc(C)c2C)CC1 ZINC000059552641 563146614 /nfs/dbraw/zinc/14/66/14/563146614.db2.gz UQZAONGDGGVXQY-XMMPIXPASA-N 0 0 434.584 2.910 50 0 IFAARN CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCN1CCN(c2cccc(C)c2C)CC1 ZINC000059552643 563146623 /nfs/dbraw/zinc/14/66/23/563146623.db2.gz UQZAONGDGGVXQY-DEOSSOPVSA-N 0 0 434.584 2.910 50 0 IFAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000018933704 568626931 /nfs/dbraw/zinc/62/69/31/568626931.db2.gz BMIVQMBFWSWVEZ-UHFFFAOYSA-N 0 0 442.516 2.871 50 0 IFAARN Nc1nonc1C(=O)NCC[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000247661826 568631939 /nfs/dbraw/zinc/63/19/39/568631939.db2.gz TWWRIHIVBLIFCT-UHFFFAOYSA-N 0 0 442.882 2.967 50 0 IFAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000000909788 568636499 /nfs/dbraw/zinc/63/64/99/568636499.db2.gz YADOZGPQCVZIJC-FQEVSTJZSA-N 0 0 427.457 2.988 50 0 IFAARN COc1ccccc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000912637 568636833 /nfs/dbraw/zinc/63/68/33/568636833.db2.gz XCAQDQKXKVTOTQ-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN COc1ccccc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000916078 568637409 /nfs/dbraw/zinc/63/74/09/568637409.db2.gz OVHKUODTECAHHK-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN Cc1cc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)no1 ZINC000025136637 568638439 /nfs/dbraw/zinc/63/84/39/568638439.db2.gz VOFXHMHGFPXOBC-UHFFFAOYSA-N 0 0 431.558 2.921 50 0 IFAARN O=C(c1cccs1)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000025148311 568641460 /nfs/dbraw/zinc/64/14/60/568641460.db2.gz ABQXSCVGUILGRA-UHFFFAOYSA-N 0 0 441.534 2.521 50 0 IFAARN CC(=O)O[C@@H]1CC[C@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@]1(C)CC[C@@H]34 ZINC000254702321 568644852 /nfs/dbraw/zinc/64/48/52/568644852.db2.gz IRJWPUOTLSQRFN-WGACJMISSA-N 0 0 444.524 2.835 50 0 IFAARN COc1cc(OC)cc([C@@H](NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)c2nccn2C)c1 ZINC000025160643 568645604 /nfs/dbraw/zinc/64/56/04/568645604.db2.gz DYCCXPYWSFRCPW-JLTOFOAXSA-N 0 0 436.468 2.812 50 0 IFAARN COc1cc(NC(=O)CCCn2c3ccccc3oc2=O)c(C(=O)N(C)C)cc1OC ZINC000025215926 568648034 /nfs/dbraw/zinc/64/80/34/568648034.db2.gz LWTUXMGPRVKUKQ-UHFFFAOYSA-N 0 0 427.457 2.732 50 0 IFAARN CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)s2)c2ccccc21 ZINC000000990094 568649000 /nfs/dbraw/zinc/64/90/00/568649000.db2.gz JHFJNRRLJVDLBD-GOSISDBHSA-N 0 0 438.299 2.881 50 0 IFAARN CCNC(=O)C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1cccc(F)c1 ZINC000001071891 568655004 /nfs/dbraw/zinc/65/50/04/568655004.db2.gz OBIJLIMGUIGSCP-MRXNPFEDSA-N 0 0 448.907 2.652 50 0 IFAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1c2ccccc2n(C)c1=O)CC3 ZINC000025454524 568659137 /nfs/dbraw/zinc/65/91/37/568659137.db2.gz ZFSQCLNNHOPSKG-UHFFFAOYSA-N 0 0 432.480 2.583 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)n(-c3ccccc3)n2)c(OC)c1 ZINC000004144390 568664302 /nfs/dbraw/zinc/66/43/02/568664302.db2.gz NFWWAJZWUBFOIT-UHFFFAOYSA-N 0 0 434.496 2.894 50 0 IFAARN CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@@]4(C)[C@@H]3C(=O)C[C@]21C)OCCO5 ZINC000257359275 568731630 /nfs/dbraw/zinc/73/16/30/568731630.db2.gz ZIQSUIGZEYCTRR-JUAQOOGUSA-N 0 0 446.540 2.735 50 0 IFAARN COCC(=O)N1C[C@@H](c2ccc(F)c(C)c2)C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000034715224 568732521 /nfs/dbraw/zinc/73/25/21/568732521.db2.gz NMJFGGWAFZFEKQ-OALUTQOASA-N 0 0 442.487 2.758 50 0 IFAARN COc1cc(OC)cc([C@H](NS(=O)(=O)c2cccc3nsnc32)c2nccn2C)c1 ZINC000019099415 568736576 /nfs/dbraw/zinc/73/65/76/568736576.db2.gz WLLBRWXVNQQDAR-KRWDZBQOSA-N 0 0 445.526 2.510 50 0 IFAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCCN2CCCC2=O)c1 ZINC000003238910 568743455 /nfs/dbraw/zinc/74/34/55/568743455.db2.gz RMZJPIPKOPDBIL-QGZVFWFLSA-N 0 0 441.553 2.569 50 0 IFAARN COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000043942839 568743940 /nfs/dbraw/zinc/74/39/40/568743940.db2.gz YDBOREFSADEUHM-SOFGYWHQSA-N 0 0 425.485 2.603 50 0 IFAARN COc1ccccc1OCC(=O)NCC1CCN(C(=O)c2cccnc2SC)CC1 ZINC000044001511 568745542 /nfs/dbraw/zinc/74/55/42/568745542.db2.gz PWFRIYDKOFWHNN-UHFFFAOYSA-N 0 0 429.542 2.860 50 0 IFAARN COc1ccc(-c2noc(Cn3ncn4nc(-c5ccc(F)cc5)cc4c3=O)n2)cc1OC ZINC000044170495 568749411 /nfs/dbraw/zinc/74/94/11/568749411.db2.gz RIFAYWUEYHQQQP-UHFFFAOYSA-N 0 0 448.414 2.813 50 0 IFAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)c1nccnc1N ZINC000019143220 568749487 /nfs/dbraw/zinc/74/94/87/568749487.db2.gz CLISLIPJIWRIFB-UHFFFAOYSA-N 0 0 426.454 2.760 50 0 IFAARN COc1ccc(CN(C)C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000003449111 568749598 /nfs/dbraw/zinc/74/95/98/568749598.db2.gz WYLMCHRONSLIFP-UHFFFAOYSA-N 0 0 427.526 2.515 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1C ZINC000003477430 568750045 /nfs/dbraw/zinc/75/00/45/568750045.db2.gz PVBFNTJUYUUGHY-UHFFFAOYSA-N 0 0 430.526 2.749 50 0 IFAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000003531073 568750503 /nfs/dbraw/zinc/75/05/03/568750503.db2.gz YIXBXIBWYNEECR-QGZVFWFLSA-N 0 0 438.505 2.670 50 0 IFAARN COc1ccc(-c2cc(=NC(=O)c3ccccc3F)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158087 568750868 /nfs/dbraw/zinc/75/08/68/568750868.db2.gz NQBIWRLQUHXVEF-HNNXBMFYSA-N 0 0 429.473 2.732 50 0 IFAARN COc1ccc(-c2cc(=NC(=O)Cc3cccs3)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158568 568750919 /nfs/dbraw/zinc/75/09/19/568750919.db2.gz VMWTUKCGSXRSAW-HNNXBMFYSA-N 0 0 431.539 2.583 50 0 IFAARN COc1ccccc1/C=C/C=c1\sc2nc(=O)c(Cc3ccc(Cl)cc3)nn2c1=O ZINC000003653447 568753008 /nfs/dbraw/zinc/75/30/08/568753008.db2.gz PXWWAIZEUFZWQO-AGASNCOBSA-N 0 0 437.908 2.977 50 0 IFAARN COCCNC(=O)C1CCN(c2cccc3c2C(=O)N(CC2CCCCC2)C3=O)CC1 ZINC000299762852 568755935 /nfs/dbraw/zinc/75/59/35/568755935.db2.gz CGAROXGJAPSITE-UHFFFAOYSA-N 0 0 427.545 2.842 50 0 IFAARN Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)[C@H]2CC(=O)OC24CCCCC4)CC3)n1 ZINC000299776252 568756996 /nfs/dbraw/zinc/75/69/96/568756996.db2.gz MDOZHIMOVUIPBW-UXHICEINSA-N 0 0 439.556 2.901 50 0 IFAARN Cc1cc(C(=O)NCCc2nnc(SC[C@@H]3CCCO3)n2-c2ccccc2F)n(C)n1 ZINC000299792151 568757767 /nfs/dbraw/zinc/75/77/67/568757767.db2.gz GPTOIPAXUMUUTG-HNNXBMFYSA-N 0 0 444.536 2.692 50 0 IFAARN CCS(=O)(=O)Nc1cccc(N2CCC(N[C@@H](Cc3ccccc3)C(=O)OC)CC2)c1 ZINC000299800458 568757869 /nfs/dbraw/zinc/75/78/69/568757869.db2.gz WSXYGKPOVWNERV-QFIPXVFZSA-N 0 0 445.585 2.791 50 0 IFAARN COc1ccc2c(COC(=O)[C@@H](NS(=O)(=O)c3ccccc3)C(C)C)cc(=O)oc2c1 ZINC000015335659 568758371 /nfs/dbraw/zinc/75/83/71/568758371.db2.gz GQXQMSFUUAKRSG-NRFANRHFSA-N 0 0 445.493 2.848 50 0 IFAARN CC(C)OCCCNC(=O)[C@H](C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004073191 568760454 /nfs/dbraw/zinc/76/04/54/568760454.db2.gz CPVZKIXNEICQJF-WNSKOXEYSA-N 0 0 426.517 2.523 50 0 IFAARN COC(=O)c1cn(CCC(=O)NC(c2ccccc2)c2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000263587360 568760580 /nfs/dbraw/zinc/76/05/80/568760580.db2.gz GAIKGXIKWQWPJQ-UHFFFAOYSA-N 0 0 430.464 2.759 50 0 IFAARN Cc1occc1-c1nnc(S[C@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)o1 ZINC000078253973 568760798 /nfs/dbraw/zinc/76/07/98/568760798.db2.gz BNPZORCYUNZBQC-INIZCTEOSA-N 0 0 428.518 2.894 50 0 IFAARN COC(=O)c1cn([C@H](CCSC)c2nc(-c3ccccc3F)no2)cc2c(=O)[nH]nc1-2 ZINC000263588062 568760915 /nfs/dbraw/zinc/76/09/15/568760915.db2.gz OPAQFUFMNIQODU-OAHLLOKOSA-N 0 0 443.460 2.994 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000015390802 568761438 /nfs/dbraw/zinc/76/14/38/568761438.db2.gz IPYDLCZMWBJUOX-SFHVURJKSA-N 0 0 430.526 2.973 50 0 IFAARN Cc1ccc(S(=O)(=O)CC(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1 ZINC000015391674 568761773 /nfs/dbraw/zinc/76/17/73/568761773.db2.gz QJRZERGPROGHFC-UHFFFAOYSA-N 0 0 433.530 2.866 50 0 IFAARN CCOC(=O)C1=C(CSc2nnnn2-c2ccccc2C)NC(=O)N[C@@H]1c1ccco1 ZINC000015405776 568761854 /nfs/dbraw/zinc/76/18/54/568761854.db2.gz AOBAOZFGJNJWEC-QGZVFWFLSA-N 0 0 440.485 2.527 50 0 IFAARN COc1ccc([C@@H]2Cn3nnc(CN4CCN(C(=O)Nc5ccccc5)CC4)c3CO2)cc1 ZINC000263615202 568775931 /nfs/dbraw/zinc/77/59/31/568775931.db2.gz BCFUIYNNYHGXKQ-QHCPKHFHSA-N 0 0 448.527 2.908 50 0 IFAARN O=C(CC1CCCC1)N1CCN(Cc2nnn3c2CO[C@@H](c2cccc(F)c2)C3)CC1 ZINC000263616282 568776493 /nfs/dbraw/zinc/77/64/93/568776493.db2.gz HWXWGKQSECHYEY-JOCHJYFZSA-N 0 0 427.524 2.913 50 0 IFAARN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000032131448 568781677 /nfs/dbraw/zinc/78/16/77/568781677.db2.gz VXSJVZPJFPQGTN-SQGPQFPESA-N 0 0 442.537 2.958 50 0 IFAARN Cc1ccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000032121420 568781682 /nfs/dbraw/zinc/78/16/82/568781682.db2.gz OQQWSKHHUJMUJI-UHFFFAOYSA-N 0 0 435.977 2.926 50 0 IFAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(c5ccc(C)c(C)c5NC4=O)[C@H]3C2=O)cc1 ZINC000248378747 568782341 /nfs/dbraw/zinc/78/23/41/568782341.db2.gz KLOXZHXCWFWBAU-BPUGDSSMSA-N 0 0 443.503 2.937 50 0 IFAARN CN1c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)c3cccc(c23)C1=O ZINC000083881757 568784371 /nfs/dbraw/zinc/78/43/71/568784371.db2.gz YTANPVCKTYYYNF-OAHLLOKOSA-N 0 0 442.522 2.678 50 0 IFAARN COC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(O)c(Cc3ccccc3)n21 ZINC000001399028 568785732 /nfs/dbraw/zinc/78/57/32/568785732.db2.gz XXEFJTQZCLGDOQ-MRXNPFEDSA-N 0 0 439.493 2.811 50 0 IFAARN COc1cc(NC(=O)COc2ccc(I)nc2)cc(OC)c1OC ZINC000083921454 568785785 /nfs/dbraw/zinc/78/57/85/568785785.db2.gz YGJIVAGGDZQSSO-UHFFFAOYSA-N 0 0 444.225 2.730 50 0 IFAARN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccccc1F ZINC000016622239 568786618 /nfs/dbraw/zinc/78/66/18/568786618.db2.gz LEOSXVWKCLPWGP-UHFFFAOYSA-N 0 0 428.869 2.518 50 0 IFAARN CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](CC)O3)c1 ZINC000046056206 568787040 /nfs/dbraw/zinc/78/70/40/568787040.db2.gz KMWBTSKYEISSCW-GOSISDBHSA-N 0 0 445.541 2.926 50 0 IFAARN CCOC(=O)C(C=Nc1cccc(N=CC(C(=O)OCC)C(=O)OCC)c1)C(=O)OCC ZINC000004707266 568787515 /nfs/dbraw/zinc/78/75/15/568787515.db2.gz HFDSGFHFBSTABU-UHFFFAOYSA-N 0 0 448.472 2.531 50 0 IFAARN CCn1ncc(Br)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000002763893 568789067 /nfs/dbraw/zinc/78/90/67/568789067.db2.gz VDRNIKCIFDIFBE-UHFFFAOYSA-N 0 0 429.321 2.931 50 0 IFAARN COC(=O)CCN(C[C@@H]1CCCO1)c1nc(CN2CCOCC2)nc2sc(C)c(C)c21 ZINC000084065471 568790830 /nfs/dbraw/zinc/79/08/30/568790830.db2.gz PBHWITBDLLURHI-KRWDZBQOSA-N 0 0 448.589 2.689 50 0 IFAARN Cc1ccc(C(=O)N2CCN(C(=O)c3c(F)cccc3I)CC2)o1 ZINC000084195066 568796054 /nfs/dbraw/zinc/79/60/54/568796054.db2.gz YNCPPIQCGSXCLN-UHFFFAOYSA-N 0 0 442.228 2.930 50 0 IFAARN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000084392971 568797746 /nfs/dbraw/zinc/79/77/46/568797746.db2.gz WIQONHNUKBCYRP-HNNXBMFYSA-N 0 0 437.677 2.548 50 0 IFAARN CC1CCC(NS(=O)(=O)CC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000084689380 568799971 /nfs/dbraw/zinc/79/99/71/568799971.db2.gz FGCDSYXHGFGBEJ-RRWXTXHCSA-N 0 0 426.554 2.831 50 0 IFAARN Cc1c(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000015627847 568800186 /nfs/dbraw/zinc/80/01/86/568800186.db2.gz DKVOSEWQDYWDIW-UHFFFAOYSA-N 0 0 429.436 2.579 50 0 IFAARN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000084739831 568800949 /nfs/dbraw/zinc/80/09/49/568800949.db2.gz KUVCNOLCHLDCHP-CABCVRRESA-N 0 0 436.350 2.709 50 0 IFAARN CCO[C@@H](C)c1noc(CN2CCCN(CC(=O)N3CCCc4ccccc43)CC2)n1 ZINC000084800618 568801553 /nfs/dbraw/zinc/80/15/53/568801553.db2.gz JUGCJWOXIWCFPL-SFHVURJKSA-N 0 0 427.549 2.654 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O ZINC000015669683 568801969 /nfs/dbraw/zinc/80/19/69/568801969.db2.gz KUYKNTFKFKSEML-UHFFFAOYSA-N 0 0 427.844 2.982 50 0 IFAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000015672261 568803161 /nfs/dbraw/zinc/80/31/61/568803161.db2.gz XFHVUGWPNUGXSS-MRXNPFEDSA-N 0 0 429.546 2.596 50 0 IFAARN CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccnc3)C2)cc1 ZINC000015677841 568804940 /nfs/dbraw/zinc/80/49/40/568804940.db2.gz WVXFSNXRSUGITR-LJQANCHMSA-N 0 0 446.573 2.580 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O ZINC000015720891 568811818 /nfs/dbraw/zinc/81/18/18/568811818.db2.gz KZYCKKNKFKOMNV-DYVFJYSZSA-N 0 0 431.489 2.874 50 0 IFAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1cccnc1 ZINC000015722457 568812078 /nfs/dbraw/zinc/81/20/78/568812078.db2.gz BJUBUVMMLNZBKA-UHFFFAOYSA-N 0 0 426.542 2.917 50 0 IFAARN CCCN1C(=O)c2cc(C(=O)N3CCCCCC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000015723875 568812326 /nfs/dbraw/zinc/81/23/26/568812326.db2.gz UBJCCTBBKYCQAT-QHCPKHFHSA-N 0 0 429.565 2.583 50 0 IFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CCS4)CC2)cc1 ZINC000015728399 568813118 /nfs/dbraw/zinc/81/31/18/568813118.db2.gz NGNPVXRNPZTNMI-UHFFFAOYSA-N 0 0 445.566 2.834 50 0 IFAARN COc1ccccc1NC(=O)CSc1nc(-c2cccc(F)c2)nc2cc(=O)[nH]n21 ZINC000015732563 568815188 /nfs/dbraw/zinc/81/51/88/568815188.db2.gz INOJRMPAMPSTGW-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)C1 ZINC000015733704 568816013 /nfs/dbraw/zinc/81/60/13/568816013.db2.gz RBNYGDPBLNHPIO-INIZCTEOSA-N 0 0 428.510 2.773 50 0 IFAARN CCc1cc2c(cc1S(=O)(=O)NCCCN1CCOCC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733828 568816040 /nfs/dbraw/zinc/81/60/40/568816040.db2.gz QGLZTMONSQTBTB-UHFFFAOYSA-N 0 0 447.601 2.886 50 0 IFAARN CN(C)CCNc1nc2c(S(=O)(=O)c3cccc(Cl)c3)nnn2c2ccsc21 ZINC000085393419 568817293 /nfs/dbraw/zinc/81/72/93/568817293.db2.gz OPCORIDDPHJQCD-UHFFFAOYSA-N 0 0 436.950 2.799 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)cc1 ZINC000001463507 568819877 /nfs/dbraw/zinc/81/98/77/568819877.db2.gz FLEFPLQXAAOEFT-UHFFFAOYSA-N 0 0 431.514 2.929 50 0 IFAARN Cn1ccnc1C(=O)[C@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000261361177 568820637 /nfs/dbraw/zinc/82/06/37/568820637.db2.gz XNXPFPGYTGDSCF-QGZVFWFLSA-N 0 0 428.489 2.861 50 0 IFAARN Cc1cccc(N2CCN(C(=O)Cn3ncn4nc(-c5ccccc5)cc4c3=O)C[C@@H]2C)c1 ZINC000015772568 568822908 /nfs/dbraw/zinc/82/29/08/568822908.db2.gz JYWXBWBOWZVZEJ-IBGZPJMESA-N 0 0 442.523 2.604 50 0 IFAARN Cc1ccc(C)c(NC(=O)CCc2nnc3ccc(NCCCN4CCCC4=O)nn32)c1 ZINC000015776746 568824035 /nfs/dbraw/zinc/82/40/35/568824035.db2.gz DBWXGCODONXRLA-UHFFFAOYSA-N 0 0 435.532 2.737 50 0 IFAARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000015783795 568826521 /nfs/dbraw/zinc/82/65/21/568826521.db2.gz MOYGBIKIPOGSGA-UHFFFAOYSA-N 0 0 426.473 2.654 50 0 IFAARN COc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)c1 ZINC000013471009 568828253 /nfs/dbraw/zinc/82/82/53/568828253.db2.gz XIYKTBDAZOKWSU-CQSZACIVSA-N 0 0 448.566 2.805 50 0 IFAARN COc1ccc(/C=C/c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1 ZINC000085642229 568828890 /nfs/dbraw/zinc/82/88/90/568828890.db2.gz AMPBBTGQVKAIGY-NYYWCZLTSA-N 0 0 427.482 2.937 50 0 IFAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCc4cccs4)C3)ccc21 ZINC000015784532 568829407 /nfs/dbraw/zinc/82/94/07/568829407.db2.gz VMZXJNQWVCZWFH-KRWDZBQOSA-N 0 0 431.583 2.999 50 0 IFAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccccc1F ZINC000085644832 568829562 /nfs/dbraw/zinc/82/95/62/568829562.db2.gz LDJSJUNAYMYFRY-UHFFFAOYSA-N 0 0 431.493 2.774 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)NCc1ccc(F)cc1 ZINC000085648597 568830540 /nfs/dbraw/zinc/83/05/40/568830540.db2.gz MKNXGQDLIFVMTC-UHFFFAOYSA-N 0 0 447.536 2.698 50 0 IFAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCC(C)CC3)c2)c1C ZINC000085650865 568830939 /nfs/dbraw/zinc/83/09/39/568830939.db2.gz NHRPFHFCCMHSQU-UHFFFAOYSA-N 0 0 446.573 2.763 50 0 IFAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)c1 ZINC000085650910 568830947 /nfs/dbraw/zinc/83/09/47/568830947.db2.gz DNZGTKXUDQJNHN-UHFFFAOYSA-N 0 0 432.546 2.599 50 0 IFAARN COc1ccccc1CCC(=O)N1CCCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000085654169 568832398 /nfs/dbraw/zinc/83/23/98/568832398.db2.gz UZNWCIYJKJTXCD-UHFFFAOYSA-N 0 0 432.524 2.913 50 0 IFAARN O=C(c1cc2ccccc2oc1=O)N1CCCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000085653966 568832633 /nfs/dbraw/zinc/83/26/33/568832633.db2.gz BBJUSECYMMRJLK-UHFFFAOYSA-N 0 0 442.475 2.691 50 0 IFAARN O=c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nn1-c1ccc(Cl)cc1 ZINC000085654362 568833539 /nfs/dbraw/zinc/83/35/39/568833539.db2.gz LPKQJHWRVODHDU-UHFFFAOYSA-N 0 0 448.907 2.536 50 0 IFAARN CCOc1ccccc1CN1CCN(Cc2ccc(N3CCNC3=O)cc2)C[C@H]1CCO ZINC000107100178 568837446 /nfs/dbraw/zinc/83/74/46/568837446.db2.gz XZVGROKWGSROOG-HSZRJFAPSA-N 0 0 438.572 2.684 50 0 IFAARN CN1CCN(C(=O)CCn2c3ccccc3c3c2-c2nc4ccccc4c(=O)n2CC3)CC1 ZINC000085875997 568838191 /nfs/dbraw/zinc/83/81/91/568838191.db2.gz KYLFKXRYNOYVHL-UHFFFAOYSA-N 0 0 441.535 2.738 50 0 IFAARN O=C(CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)N1CCOCC1 ZINC000085876665 568838600 /nfs/dbraw/zinc/83/86/00/568838600.db2.gz YGCINMKPIJBDEO-UHFFFAOYSA-N 0 0 428.492 2.823 50 0 IFAARN O=C(c1ccccc1Cl)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000015824917 568840547 /nfs/dbraw/zinc/84/05/47/568840547.db2.gz OIRINSVEEBMLMK-UHFFFAOYSA-N 0 0 437.866 2.965 50 0 IFAARN CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O ZINC000025693174 568842742 /nfs/dbraw/zinc/84/27/42/568842742.db2.gz GHEIPEXVLWLMRH-SFTDATJTSA-N 0 0 436.512 2.632 50 0 IFAARN COc1ccccc1CCNC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1Cl ZINC000015858339 568846415 /nfs/dbraw/zinc/84/64/15/568846415.db2.gz HRBFAYFKAGFSFI-ZDUSSCGKSA-N 0 0 436.917 2.634 50 0 IFAARN CCn1c(CSc2nnnn2-c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000006147776 568846456 /nfs/dbraw/zinc/84/64/56/568846456.db2.gz VCZYLBAYAAKNQR-UHFFFAOYSA-N 0 0 443.558 2.575 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1 ZINC000015883327 568857655 /nfs/dbraw/zinc/85/76/55/568857655.db2.gz CYRAIQGMWUKGDT-UHFFFAOYSA-N 0 0 437.471 2.999 50 0 IFAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccccc1F ZINC000015883563 568857824 /nfs/dbraw/zinc/85/78/24/568857824.db2.gz VSSDOZCWYVOSQE-UHFFFAOYSA-N 0 0 430.505 2.845 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000015884067 568857873 /nfs/dbraw/zinc/85/78/73/568857873.db2.gz CXAANKORCWHZNU-UHFFFAOYSA-N 0 0 435.532 2.838 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)cc2C[C@@H]1C ZINC000015943465 568859417 /nfs/dbraw/zinc/85/94/17/568859417.db2.gz PGYWGLPZWJOHHM-FUHWJXTLSA-N 0 0 447.601 2.834 50 0 IFAARN CN1c2ccccc2N(C2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)S1(=O)=O ZINC000575414124 568860840 /nfs/dbraw/zinc/86/08/40/568860840.db2.gz NOZVEFOSHQZKJU-UHFFFAOYSA-N 0 0 443.554 2.944 50 0 IFAARN Cc1cccc(NC(=O)CN2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)c1C ZINC000575414225 568860989 /nfs/dbraw/zinc/86/09/89/568860989.db2.gz ZXEKMKSWIDLXLU-UHFFFAOYSA-N 0 0 428.558 2.908 50 0 IFAARN CN1c2ccccc2N(C2CCN(C(=O)Cc3noc4ccccc43)CC2)S1(=O)=O ZINC000575414128 568861131 /nfs/dbraw/zinc/86/11/31/568861131.db2.gz UKDRSWSPZFKWSI-UHFFFAOYSA-N 0 0 426.498 2.563 50 0 IFAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 ZINC000015974946 568861324 /nfs/dbraw/zinc/86/13/24/568861324.db2.gz HOZLIFOBQUNCMT-JJXSEGSLSA-N 0 0 430.302 2.778 50 0 IFAARN COC(=O)c1c(NC(=O)COC(=O)COc2ccc(C)cc2OC)sc2c1CCC2 ZINC000016045083 568868399 /nfs/dbraw/zinc/86/83/99/568868399.db2.gz DBELEASKXVACML-UHFFFAOYSA-N 0 0 433.482 2.901 50 0 IFAARN COc1ccccc1C(=O)Oc1coc(CSc2nnc(NC(C)=O)s2)cc1=O ZINC000016047719 568869221 /nfs/dbraw/zinc/86/92/21/568869221.db2.gz LSDCKNZLZKRZKZ-UHFFFAOYSA-N 0 0 433.467 2.970 50 0 IFAARN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cc(=O)[nH]c2ccccc21 ZINC000016049029 568869347 /nfs/dbraw/zinc/86/93/47/568869347.db2.gz PWMNDOVMJABUFI-UHFFFAOYSA-N 0 0 426.226 2.656 50 0 IFAARN CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(OC)cc1 ZINC000012948738 568871599 /nfs/dbraw/zinc/87/15/99/568871599.db2.gz ZLLHVPKENDLIIQ-MRXNPFEDSA-N 0 0 427.320 2.986 50 0 IFAARN COc1nc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)nc(N2CCCCC2)n1 ZINC000575607840 568878454 /nfs/dbraw/zinc/87/84/54/568878454.db2.gz QMWOJVRUEUDELY-UHFFFAOYSA-N 0 0 445.467 2.509 50 0 IFAARN Cc1cc2c(cc1NC(=O)c1cc(-c3ccc(F)cc3)nn1C)N(C)S(=O)(=O)N2C ZINC000575613841 568879804 /nfs/dbraw/zinc/87/98/04/568879804.db2.gz WITJZPOJADFSHV-UHFFFAOYSA-N 0 0 429.477 2.918 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C ZINC000575615449 568881306 /nfs/dbraw/zinc/88/13/06/568881306.db2.gz IDHMEGQTGZYILA-UHFFFAOYSA-N 0 0 446.495 2.860 50 0 IFAARN COCCn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2cccc3ccccc32)c(=O)n1C ZINC000006300123 568882600 /nfs/dbraw/zinc/88/26/00/568882600.db2.gz FCVGASAYIVIAFL-UHFFFAOYSA-N 0 0 431.496 2.614 50 0 IFAARN CN(C)C(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c1 ZINC000225343241 568885188 /nfs/dbraw/zinc/88/51/88/568885188.db2.gz PSAZOZRTSUWDFN-QZTJIDSGSA-N 0 0 443.352 2.974 50 0 IFAARN C[C@@H]1CN(Cc2cccc(CNC(=O)CCN3c4ccccc4O[C@@H](C)C3=O)c2)CCO1 ZINC000227618612 568886314 /nfs/dbraw/zinc/88/63/14/568886314.db2.gz YCQBONVKNRSCMH-MOPGFXCFSA-N 0 0 437.540 2.728 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc43)cc2)C[C@H](C)O1 ZINC000090503015 568886642 /nfs/dbraw/zinc/88/66/42/568886642.db2.gz GLICYGCVGVNGFL-BETUJISGSA-N 0 0 432.527 2.742 50 0 IFAARN CC[NH+](CC)[C@@H](CNC(=O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000229735390 568886899 /nfs/dbraw/zinc/88/68/99/568886899.db2.gz WHNLKQQFOAPZBF-UXHICEINSA-N 0 0 442.608 2.976 50 0 IFAARN Cc1nc(-c2ccc(N3CCN(C(=O)c4sc(-n5cccc5)nc4C)CC3)nc2)no1 ZINC000090558832 568887825 /nfs/dbraw/zinc/88/78/25/568887825.db2.gz GCLWIDKFJGKPCD-UHFFFAOYSA-N 0 0 435.513 2.958 50 0 IFAARN Cc1nc(-c2ccco2)sc1CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000090593380 568888962 /nfs/dbraw/zinc/88/89/62/568888962.db2.gz MCYJUKWUUGCGIO-UHFFFAOYSA-N 0 0 447.538 2.662 50 0 IFAARN COc1cccc(-c2cc(C(=O)N[C@H]3CCN(c4ccc(-c5nc(C)no5)cn4)C3)[nH]n2)c1 ZINC000090592186 568889005 /nfs/dbraw/zinc/88/90/05/568889005.db2.gz DCXWDZNTAVVTNH-KRWDZBQOSA-N 0 0 445.483 2.847 50 0 IFAARN O=S(=O)(NCCNc1cc(-n2cccc2)ncn1)c1ccc(OC(F)(F)F)cc1 ZINC000090607845 568890350 /nfs/dbraw/zinc/89/03/50/568890350.db2.gz FNFKRWYFRWRYJV-UHFFFAOYSA-N 0 0 427.408 2.556 50 0 IFAARN COc1cc(C)c(S(=O)(=O)NCCNc2cc(Nc3ccccn3)nc(C)n2)cc1C ZINC000090607964 568890585 /nfs/dbraw/zinc/89/05/85/568890585.db2.gz IPMVIJDKLGZXCF-UHFFFAOYSA-N 0 0 442.545 2.939 50 0 IFAARN CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)NCc1nc(-c3ccccc3)no1)C2 ZINC000090609646 568891560 /nfs/dbraw/zinc/89/15/60/568891560.db2.gz WSSZZEKIMJPPFO-AWEZNQCLSA-N 0 0 425.514 2.629 50 0 IFAARN CCN(C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000013030425 568892665 /nfs/dbraw/zinc/89/26/65/568892665.db2.gz VBBZRVXOCIPEDA-PDFOZTTASA-N 0 0 448.541 2.928 50 0 IFAARN CCCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000012981162 568894360 /nfs/dbraw/zinc/89/43/60/568894360.db2.gz VWOKPMUFPHPBNC-UHFFFAOYSA-N 0 0 429.542 2.792 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(N3CCCC3)n2C[C@@H]2CCCO2)c1C ZINC000012989617 568895337 /nfs/dbraw/zinc/89/53/37/568895337.db2.gz YZPXQZXZNXVZAZ-HNNXBMFYSA-N 0 0 447.561 2.764 50 0 IFAARN CCOC(=O)CN(CCOC)C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000040139175 568896479 /nfs/dbraw/zinc/89/64/79/568896479.db2.gz PFPLHUZAFDHPHZ-CSKARUKUSA-N 0 0 446.500 2.930 50 0 IFAARN O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2)NC1CC1 ZINC000012996323 568896797 /nfs/dbraw/zinc/89/67/97/568896797.db2.gz MZZGROWAPQRWIG-UHFFFAOYSA-N 0 0 436.917 2.581 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000013005530 568899307 /nfs/dbraw/zinc/89/93/07/568899307.db2.gz QRSBZXURSRPHST-CZUORRHYSA-N 0 0 445.379 2.779 50 0 IFAARN COC(=O)c1sccc1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000013007861 568899466 /nfs/dbraw/zinc/89/94/66/568899466.db2.gz NEIJMSZJVZZCPH-UHFFFAOYSA-N 0 0 437.271 2.922 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000013011862 568900981 /nfs/dbraw/zinc/90/09/81/568900981.db2.gz KFEZRQBPLJNUGF-UHFFFAOYSA-N 0 0 425.304 2.611 50 0 IFAARN COc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)CC2=O)c1 ZINC000013021431 568902318 /nfs/dbraw/zinc/90/23/18/568902318.db2.gz NBFYKVSOBNLMSU-QGZVFWFLSA-N 0 0 441.915 2.686 50 0 IFAARN COc1cc([C@H](CC(=O)NCc2nc(C(C)C)no2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729803 568903859 /nfs/dbraw/zinc/90/38/59/568903859.db2.gz JTMNUZUYSYBOSZ-AWEZNQCLSA-N 0 0 443.456 2.713 50 0 IFAARN CNS(=O)(=O)Cc1ccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)cc1 ZINC000026633842 568904819 /nfs/dbraw/zinc/90/48/19/568904819.db2.gz ZLMUVHSVCVJOHC-UHFFFAOYSA-N 0 0 437.359 2.846 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(-c4ccccc4)[nH]c3=S)CC2)cc1 ZINC000013063560 568908727 /nfs/dbraw/zinc/90/87/27/568908727.db2.gz OGJIQGUTGPQZIB-UHFFFAOYSA-N 0 0 429.571 2.880 50 0 IFAARN CCN1c2ccc(Br)cc2/C(=c2/sc3nc4ccccc4n3c2=O)C1=O ZINC000006458109 568909416 /nfs/dbraw/zinc/90/94/16/568909416.db2.gz FIGNBQFATMSXJB-NXVVXOECSA-N 0 0 426.295 2.956 50 0 IFAARN CSC[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000239297091 568911089 /nfs/dbraw/zinc/91/10/89/568911089.db2.gz DSWVHOHJQDXEKL-JFIYKMOQSA-N 0 0 432.542 2.692 50 0 IFAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000239415260 568911478 /nfs/dbraw/zinc/91/14/78/568911478.db2.gz UBRFORVCBVBPCG-XLMAVXFVSA-N 0 0 441.619 2.524 50 0 IFAARN CC[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000239653996 568911704 /nfs/dbraw/zinc/91/17/04/568911704.db2.gz BMCAAMLCQWKRLN-HZPDHXFCSA-N 0 0 430.526 2.898 50 0 IFAARN COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000245246763 568913471 /nfs/dbraw/zinc/91/34/71/568913471.db2.gz NBEZVFUWBMAGIP-PMECCGAFSA-N 0 0 437.883 2.780 50 0 IFAARN COc1ccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]23)cc1 ZINC000245257394 568914144 /nfs/dbraw/zinc/91/41/44/568914144.db2.gz ZGOYGPMYIGGZBU-OUHFAEGLSA-N 0 0 446.459 2.795 50 0 IFAARN CC(C)C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000245285868 568914383 /nfs/dbraw/zinc/91/43/83/568914383.db2.gz ZCHUQDGMAGXSQB-BRSBDYLESA-N 0 0 444.532 2.700 50 0 IFAARN COCCN1C(=O)[C@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000245310082 568914442 /nfs/dbraw/zinc/91/44/42/568914442.db2.gz HJLLEAXAUCBGJM-RYLXDESZSA-N 0 0 433.508 2.682 50 0 IFAARN Cc1cc(C)c(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@H]43)C2=O)c(C)c1 ZINC000245325190 568914845 /nfs/dbraw/zinc/91/48/45/568914845.db2.gz CWXZDUSVXLAMMQ-NBGIEHNGSA-N 0 0 432.524 2.558 50 0 IFAARN COc1ccc(C(C)=O)cc1CC(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000089291991 568919877 /nfs/dbraw/zinc/91/98/77/568919877.db2.gz LDGYPSOXZJSWNT-UHFFFAOYSA-N 0 0 443.931 2.877 50 0 IFAARN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000089326618 568921043 /nfs/dbraw/zinc/92/10/43/568921043.db2.gz WPWPZBXNOGFRDU-OAQYLSRUSA-N 0 0 445.541 2.706 50 0 IFAARN CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000089327010 568921096 /nfs/dbraw/zinc/92/10/96/568921096.db2.gz NNJLJAQTLOQTAM-UHFFFAOYSA-N 0 0 444.376 2.991 50 0 IFAARN COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000089420771 568924497 /nfs/dbraw/zinc/92/44/97/568924497.db2.gz OOBUMAYJAICKIW-UHFFFAOYSA-N 0 0 443.363 2.804 50 0 IFAARN COc1cc(-c2nnc(SCC(=O)NC(=O)NC3CCCC3)o2)cc(OC)c1OC ZINC000089426628 568924667 /nfs/dbraw/zinc/92/46/67/568924667.db2.gz GNNUULZSIPIJLZ-UHFFFAOYSA-N 0 0 436.490 2.623 50 0 IFAARN Cc1c(-c2nc(-c3ccncc3)no2)sc2ncn(CC(=O)NC3CCCC3)c(=O)c12 ZINC000064439270 568928222 /nfs/dbraw/zinc/92/82/22/568928222.db2.gz GZEBLFHSNCKYNM-UHFFFAOYSA-N 0 0 436.497 2.937 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc32)no1 ZINC000064450648 568928579 /nfs/dbraw/zinc/92/85/79/568928579.db2.gz UFEOEKUSSYCOSN-UHFFFAOYSA-N 0 0 442.497 2.975 50 0 IFAARN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)N(Cc1noc(C)n1)C(=O)CO2 ZINC000064450572 568928609 /nfs/dbraw/zinc/92/86/09/568928609.db2.gz MUPZCLWLTVPAAT-UHFFFAOYSA-N 0 0 428.470 2.667 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4cccc(CC)c4)cc32)no1 ZINC000064450688 568928837 /nfs/dbraw/zinc/92/88/37/568928837.db2.gz XEWPABJNUDQHRZ-UHFFFAOYSA-N 0 0 442.497 2.921 50 0 IFAARN CCN(CC)c1cc2c(cc1NC(=O)COc1ccc(Cl)cc1)n(C)c(=O)c(=O)n2C ZINC000064526244 568931366 /nfs/dbraw/zinc/93/13/66/568931366.db2.gz AYSVBZINMVWODE-UHFFFAOYSA-N 0 0 444.919 2.754 50 0 IFAARN CCS(=O)(=O)N1CCc2c(c(CN(C(=O)c3ccccc3)c3ccccc3)nn2C)C1 ZINC000064566843 568933138 /nfs/dbraw/zinc/93/31/38/568933138.db2.gz FSGKDFRTFMMOTQ-UHFFFAOYSA-N 0 0 438.553 2.975 50 0 IFAARN CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)c1cccc(N(C)C)c1)CC2 ZINC000064567119 568933364 /nfs/dbraw/zinc/93/33/64/568933364.db2.gz OVKMCDCGHMMFGX-UHFFFAOYSA-N 0 0 425.562 2.685 50 0 IFAARN CC(=O)N(Cc1nn(C)c2c1CN(S(=O)(=O)c1cccc(F)c1)CC2)c1ccccc1 ZINC000064566768 568933680 /nfs/dbraw/zinc/93/36/80/568933680.db2.gz JFEPDMDXTUYURS-UHFFFAOYSA-N 0 0 442.516 2.859 50 0 IFAARN O=C(c1ccc(F)cc1)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064579055 568934133 /nfs/dbraw/zinc/93/41/33/568934133.db2.gz AOQHSBZSPZPUES-UHFFFAOYSA-N 0 0 443.482 2.941 50 0 IFAARN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)N(C)C)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000035966408 568935055 /nfs/dbraw/zinc/93/50/55/568935055.db2.gz DFHMGYHHBCGGJO-GHTZIAJQSA-N 0 0 426.561 2.989 50 0 IFAARN O=C(CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccco1)NC1CCCC1 ZINC000064590644 568935388 /nfs/dbraw/zinc/93/53/88/568935388.db2.gz SJWCQRHJVCBKBS-UHFFFAOYSA-N 0 0 429.527 2.898 50 0 IFAARN COc1ccccc1NC(=O)CSc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000064592963 568935659 /nfs/dbraw/zinc/93/56/59/568935659.db2.gz WWQQXTGWWIESPJ-UHFFFAOYSA-N 0 0 425.445 2.759 50 0 IFAARN COc1ccc(-n2ccn3c(SCC(=O)Nc4cc(F)ccc4F)nnc3c2=O)cc1 ZINC000064593166 568935754 /nfs/dbraw/zinc/93/57/54/568935754.db2.gz VUOMNZJLTBYZAM-UHFFFAOYSA-N 0 0 443.435 2.898 50 0 IFAARN COc1ccccc1-n1ccn2c(SCC(=O)Nc3ccc(F)cc3F)nnc2c1=O ZINC000064593077 568935778 /nfs/dbraw/zinc/93/57/78/568935778.db2.gz GNZDJNAERBSTPI-UHFFFAOYSA-N 0 0 443.435 2.898 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccc(OC)cc4)ccn23)cc1 ZINC000064593145 568935814 /nfs/dbraw/zinc/93/58/14/568935814.db2.gz XBBLFVVOHBRRBY-UHFFFAOYSA-N 0 0 437.481 2.628 50 0 IFAARN Cc1ccc(-n2ccn3c(SCC(=O)NCCc4ccccc4)nnc3c2=O)cc1C ZINC000064593548 568935835 /nfs/dbraw/zinc/93/58/35/568935835.db2.gz FJRYUKPDXUYOFL-UHFFFAOYSA-N 0 0 433.537 2.948 50 0 IFAARN C[C@H](Sc1nnc2c(=O)n(-c3ccccc3)ccn12)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000064593499 568935844 /nfs/dbraw/zinc/93/58/44/568935844.db2.gz CAGMOAPHCKTYIN-AWEZNQCLSA-N 0 0 449.492 2.771 50 0 IFAARN Cc1ccc(-n2ccn3c(SCC(=O)Nc4ccc5c(c4)OCO5)nnc3c2=O)cc1C ZINC000064593606 568936110 /nfs/dbraw/zinc/93/61/10/568936110.db2.gz UWRMKOUPWHSKJB-UHFFFAOYSA-N 0 0 449.492 2.957 50 0 IFAARN COc1cc(N2C(=O)C[C@@H](N3CCc4c5ccccc5[nH]c4C3)C2=O)cc(OC)c1OC ZINC000030903961 568937452 /nfs/dbraw/zinc/93/74/52/568937452.db2.gz QGAXKBLJIUDUOZ-LJQANCHMSA-N 0 0 435.480 2.884 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000089568763 568937841 /nfs/dbraw/zinc/93/78/41/568937841.db2.gz CCHPHVPYAKYLEH-UHFFFAOYSA-N 0 0 431.558 2.565 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3sccc3C(N)=O)cc2)cc1 ZINC000016689929 568938256 /nfs/dbraw/zinc/93/82/56/568938256.db2.gz PQRGXIAHSFSFFQ-UHFFFAOYSA-N 0 0 431.495 2.909 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3cc(C)ccn3c(=O)n1)CCC2 ZINC000016689517 568938772 /nfs/dbraw/zinc/93/87/72/568938772.db2.gz BCDDKLDHKQMCBH-UHFFFAOYSA-N 0 0 444.538 2.856 50 0 IFAARN CC(C)C(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc3c(c2)OCO3)c1=O ZINC000064605208 568939061 /nfs/dbraw/zinc/93/90/61/568939061.db2.gz DRALBEXDTRWBQZ-UHFFFAOYSA-N 0 0 434.452 2.872 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000027025363 568939513 /nfs/dbraw/zinc/93/95/13/568939513.db2.gz DATWFLTZESFLSZ-BXBHGGAKSA-N 0 0 428.897 2.963 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035991686 568941822 /nfs/dbraw/zinc/94/18/22/568941822.db2.gz YDBZETRABPAECM-NQIIRXRSSA-N 0 0 443.544 2.783 50 0 IFAARN COCCNC(=O)CN(C)c1nn2c(nc(-c3ccc(OC)cc3)c2NC(C)(C)C)s1 ZINC000064703554 568944462 /nfs/dbraw/zinc/94/44/62/568944462.db2.gz LXBDZMXOKTYEMS-UHFFFAOYSA-N 0 0 446.577 2.876 50 0 IFAARN CC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccco1 ZINC000036072682 568945641 /nfs/dbraw/zinc/94/56/41/568945641.db2.gz UUBFYCPUWUIJPG-UHFFFAOYSA-N 0 0 433.512 2.824 50 0 IFAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)C4CC4)C4CC4)CC3)nn2)c1 ZINC000036071511 568945921 /nfs/dbraw/zinc/94/59/21/568945921.db2.gz MJUXXRKHDVMWKH-UHFFFAOYSA-N 0 0 449.555 2.592 50 0 IFAARN O=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2)c1=O ZINC000036085125 568947834 /nfs/dbraw/zinc/94/78/34/568947834.db2.gz KRYUTBCBRBYKIU-UHFFFAOYSA-N 0 0 448.429 2.651 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccccc3)nn(-c3ccccc3)c2=O)c1 ZINC000036086009 568948204 /nfs/dbraw/zinc/94/82/04/568948204.db2.gz CMIWBLXJEJNJIW-UHFFFAOYSA-N 0 0 426.476 2.681 50 0 IFAARN O=C(NCc1ccccc1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085937 568948336 /nfs/dbraw/zinc/94/83/36/568948336.db2.gz QBHLNZUUPKDFIM-UHFFFAOYSA-N 0 0 430.439 2.512 50 0 IFAARN O=C(NCc1ccccc1)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036086088 568948407 /nfs/dbraw/zinc/94/84/07/568948407.db2.gz WLAVHQYSQHCTRJ-UHFFFAOYSA-N 0 0 430.439 2.512 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000036086158 568948515 /nfs/dbraw/zinc/94/85/15/568948515.db2.gz PVSMFMSCQMQJDF-CQSZACIVSA-N 0 0 446.429 2.990 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCC3CC3)c(=O)n(Cc3ccccc3Cl)c2=O)cc1C ZINC000036086476 568948641 /nfs/dbraw/zinc/94/86/41/568948641.db2.gz RHUQMUFBHKGBKR-UHFFFAOYSA-N 0 0 438.915 2.853 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCc3ccco3)c(=O)n(Cc3cccc(F)c3)c2=O)cc1C ZINC000036086393 568948692 /nfs/dbraw/zinc/94/86/92/568948692.db2.gz RJPVCDQIAMKSET-UHFFFAOYSA-N 0 0 448.454 2.721 50 0 IFAARN Cc1cccc(-n2nc(C(=O)NC3CC3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)c1 ZINC000036086894 568949159 /nfs/dbraw/zinc/94/91/59/568949159.db2.gz DLSWROIVNMNAHG-UHFFFAOYSA-N 0 0 444.413 2.662 50 0 IFAARN COc1cccc(Cn2c(=O)c(C(=O)NC(C)C)nn(-c3ccc(C)c(Cl)c3)c2=O)c1 ZINC000036089299 568950385 /nfs/dbraw/zinc/95/03/85/568950385.db2.gz ZTROAUWTQQBBGR-UHFFFAOYSA-N 0 0 442.903 2.551 50 0 IFAARN COCCNc1c(-c2cccc(OC)c2)nc2sc(C(=O)N3CCOCC3)c(C)n21 ZINC000064761255 568952333 /nfs/dbraw/zinc/95/23/33/568952333.db2.gz HJBPMKOHCYUGES-UHFFFAOYSA-N 0 0 430.530 2.911 50 0 IFAARN Cc1cccc(N2CCN(C(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)C[C@@H]2C)c1 ZINC000064775818 568954905 /nfs/dbraw/zinc/95/49/05/568954905.db2.gz WQUAZHXDTMWCAM-SFHVURJKSA-N 0 0 429.524 2.934 50 0 IFAARN COc1cccc(N2CCN(C(=O)[C@@H](C)n3c4ccccc4c4cnn(C)c(=O)c43)CC2)c1 ZINC000064775941 568954921 /nfs/dbraw/zinc/95/49/21/568954921.db2.gz PKIPENQSHCWGEG-QGZVFWFLSA-N 0 0 445.523 2.807 50 0 IFAARN C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775964 568954940 /nfs/dbraw/zinc/95/49/40/568954940.db2.gz PLKCRDVLLYZKTF-SFHVURJKSA-N 0 0 429.524 2.794 50 0 IFAARN CC[C@@H](C(=O)N1CCN(c2ccccn2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776116 568955103 /nfs/dbraw/zinc/95/51/03/568955103.db2.gz AQJDPAHFVGNUJL-IBGZPJMESA-N 0 0 430.512 2.583 50 0 IFAARN Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)NCc1ccc(Br)cc1 ZINC000064787731 568956269 /nfs/dbraw/zinc/95/62/69/568956269.db2.gz WNXLDKTYSMNCSE-UHFFFAOYSA-N 0 0 434.315 2.986 50 0 IFAARN Cc1cccc(-c2c3c(c4n2CCO[C@H]4c2cc(O)ccc2O)n(C)c(=O)n(C)c3=O)c1 ZINC000064788199 568956605 /nfs/dbraw/zinc/95/66/05/568956605.db2.gz FSEDPNDIRWNSLM-QFIPXVFZSA-N 0 0 433.464 2.545 50 0 IFAARN Cc1cccc(-c2c3c(c4n2CCO[C@H]4c2ccc4c(c2)OCO4)n(C)c(=O)n(C)c3=O)c1 ZINC000064788209 568956644 /nfs/dbraw/zinc/95/66/44/568956644.db2.gz CDHWGXQQVLBJTF-QHCPKHFHSA-N 0 0 445.475 2.862 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)cc1C ZINC000064817631 568964827 /nfs/dbraw/zinc/96/48/27/568964827.db2.gz GMIJOXXGWXPACI-UHFFFAOYSA-N 0 0 445.523 2.992 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1cccc(C)c1 ZINC000064817669 568964911 /nfs/dbraw/zinc/96/49/11/568964911.db2.gz SHIKMNNYFLAWSU-UHFFFAOYSA-N 0 0 449.486 2.823 50 0 IFAARN CCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)OC)c(C)c1 ZINC000064818776 568965342 /nfs/dbraw/zinc/96/53/42/568965342.db2.gz NNZYTBGGYDTRFW-UHFFFAOYSA-N 0 0 447.513 2.723 50 0 IFAARN COCCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCC(C)C ZINC000036156772 568965604 /nfs/dbraw/zinc/96/56/04/568965604.db2.gz SCNCDBWGDXERCD-MRXNPFEDSA-N 0 0 437.606 2.735 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C)c2C)cn1C ZINC000064819001 568965848 /nfs/dbraw/zinc/96/58/48/568965848.db2.gz ZLZIQFKWOVTPKV-GOSISDBHSA-N 0 0 433.530 2.610 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)cc2C)cn1C ZINC000064819012 568965880 /nfs/dbraw/zinc/96/58/80/568965880.db2.gz PFNQEPMILVQFBE-SFHVURJKSA-N 0 0 433.530 2.610 50 0 IFAARN CCOc1ccccc1CNC(=O)c1cc(=O)nc2sc(N3CCC[C@H](C)C3)nn21 ZINC000064836860 568969381 /nfs/dbraw/zinc/96/93/81/568969381.db2.gz PSDXNWWQPFWYIL-AWEZNQCLSA-N 0 0 427.530 2.716 50 0 IFAARN CCC(C)(C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1 ZINC000064846423 568971946 /nfs/dbraw/zinc/97/19/46/568971946.db2.gz CKQBUTJUKDVXFM-UHFFFAOYSA-N 0 0 435.590 2.835 50 0 IFAARN CCOC(=O)c1sc2[nH]c(CN(C[C@H](O)COC(C)(C)C)C(C)C)nc(=O)c2c1C ZINC000036206660 568972637 /nfs/dbraw/zinc/97/26/37/568972637.db2.gz OQMYONNGURYETO-AWEZNQCLSA-N 0 0 439.578 2.856 50 0 IFAARN CCN(Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[nH]1)C[C@@H](O)COCC(C)C ZINC000036206850 568972829 /nfs/dbraw/zinc/97/28/29/568972829.db2.gz GGXOCEMJSILAIG-OAHLLOKOSA-N 0 0 439.578 2.714 50 0 IFAARN O=C(N[C@@H](C(=O)NC1CC1)C1CCN(C(=O)c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000036208778 568973615 /nfs/dbraw/zinc/97/36/15/568973615.db2.gz ZVLVYEJFRWQHAO-OAQYLSRUSA-N 0 0 441.478 2.894 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000036210206 568974435 /nfs/dbraw/zinc/97/44/35/568974435.db2.gz NVKKGVRDOCUXSA-JOCHJYFZSA-N 0 0 443.588 2.995 50 0 IFAARN CC(C)CNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC(C)C)CC1 ZINC000036211383 568975263 /nfs/dbraw/zinc/97/52/63/568975263.db2.gz GFHKIKUWEUQDRR-QFIPXVFZSA-N 0 0 445.560 2.571 50 0 IFAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(OC)cc2OC)c2ccccc2N1 ZINC000064869246 568975712 /nfs/dbraw/zinc/97/57/12/568975712.db2.gz PQPSJAHEOKDXJP-UHFFFAOYSA-N 0 0 439.468 2.938 50 0 IFAARN CC(C)CC(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCc2ccco2)CC1 ZINC000036212494 568976347 /nfs/dbraw/zinc/97/63/47/568976347.db2.gz MJGGSWGNWHQMDT-QFIPXVFZSA-N 0 0 425.529 2.979 50 0 IFAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccco2)CC1 ZINC000036211078 568976937 /nfs/dbraw/zinc/97/69/37/568976937.db2.gz QCJLHFRUMMZGGX-HRAATJIYSA-N 0 0 441.528 2.854 50 0 IFAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036211096 568977131 /nfs/dbraw/zinc/97/71/31/568977131.db2.gz WWVHSHBJMZMUFC-JTSKRJEESA-N 0 0 431.577 2.993 50 0 IFAARN CCCNC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036211174 568977137 /nfs/dbraw/zinc/97/71/37/568977137.db2.gz LGDVYTFLLBTLCM-NRFANRHFSA-N 0 0 431.577 2.995 50 0 IFAARN CC(C)NC(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1 ZINC000036213614 568977612 /nfs/dbraw/zinc/97/76/12/568977612.db2.gz CDVGRDSLCMYMIE-QFIPXVFZSA-N 0 0 436.556 2.931 50 0 IFAARN COc1ccc(OC)c(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000036227599 568978667 /nfs/dbraw/zinc/97/86/67/568978667.db2.gz GTWTYAIWYKIWAE-UHFFFAOYSA-N 0 0 438.933 2.546 50 0 IFAARN CCc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3nccnc32)c1 ZINC000064887527 568978782 /nfs/dbraw/zinc/97/87/82/568978782.db2.gz KYSFVDPAOXBXLD-UHFFFAOYSA-N 0 0 449.898 2.856 50 0 IFAARN CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3nccnc32)cc1 ZINC000064887583 568978946 /nfs/dbraw/zinc/97/89/46/568978946.db2.gz WGUYWRVZBGMPBR-UHFFFAOYSA-N 0 0 449.898 2.856 50 0 IFAARN CCOc1ccccc1NC(=O)[C@H](CC)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000064888598 568979691 /nfs/dbraw/zinc/97/96/91/568979691.db2.gz JBFHSGKQNXMTEV-IBGZPJMESA-N 0 0 427.476 2.813 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1nc2ccccc2s1 ZINC000064888977 568979704 /nfs/dbraw/zinc/97/97/04/568979704.db2.gz PZUMXDCPURODMR-UHFFFAOYSA-N 0 0 429.527 2.925 50 0 IFAARN O=C(CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCCc2ccccc21 ZINC000064889182 568980308 /nfs/dbraw/zinc/98/03/08/568980308.db2.gz AMDFLBWFQDEJPF-UHFFFAOYSA-N 0 0 439.541 2.585 50 0 IFAARN Cc1ccc(C(=O)NCc2nc(-c3ccc4c(c3)[nH]c(=O)c(=O)n4CC(C)C)no2)cc1 ZINC000064890905 568981025 /nfs/dbraw/zinc/98/10/25/568981025.db2.gz VBKRESYPQNYCKE-UHFFFAOYSA-N 0 0 433.468 2.634 50 0 IFAARN Cc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccc4c(c3)OCCO4)n2)c1 ZINC000064891830 568982787 /nfs/dbraw/zinc/98/27/87/568982787.db2.gz RPUWCRMOEWHBRQ-UHFFFAOYSA-N 0 0 434.452 2.604 50 0 IFAARN COc1cccc(C(=O)N2CCN([C@@H](C(=O)NCc3ccco3)C3CCCC3)CC2)c1 ZINC000036251747 568983981 /nfs/dbraw/zinc/98/39/81/568983981.db2.gz WTLDWLYQYSWXBS-JOCHJYFZSA-N 0 0 425.529 2.921 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(C)c1 ZINC000064920822 568985420 /nfs/dbraw/zinc/98/54/20/568985420.db2.gz DXDBXYFTEWWNKR-SFHVURJKSA-N 0 0 443.525 2.735 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)cc1 ZINC000064921104 568985666 /nfs/dbraw/zinc/98/56/66/568985666.db2.gz RZSDSFCQTZYJJJ-MAUKXSAKSA-N 0 0 443.525 2.815 50 0 IFAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2NC1=O ZINC000064921771 568985814 /nfs/dbraw/zinc/98/58/14/568985814.db2.gz PWYDSPILIHOLCC-LJQANCHMSA-N 0 0 449.573 2.646 50 0 IFAARN COc1ccccc1NC(=O)CCc1c(C)nn(-c2cc(N3CCOCC3)ncn2)c1C ZINC000064925087 568986429 /nfs/dbraw/zinc/98/64/29/568986429.db2.gz IKUJNTTVAAOCQX-UHFFFAOYSA-N 0 0 436.516 2.696 50 0 IFAARN CCn1c2ccccc2nc(N2CCN(C(=O)Nc3cccc(C(=O)OC)c3)CC2)c1=O ZINC000064926260 568986897 /nfs/dbraw/zinc/98/68/97/568986897.db2.gz WVMVEXDMWQVTEU-UHFFFAOYSA-N 0 0 435.484 2.557 50 0 IFAARN COc1ccc(-n2nc(N3CCC[C@@H](C(=O)NCc4ccccc4F)C3)ccc2=O)cc1 ZINC000064928296 568987412 /nfs/dbraw/zinc/98/74/12/568987412.db2.gz SJSNGWJSCSLZBA-GOSISDBHSA-N 0 0 436.487 2.913 50 0 IFAARN CCOCCCNC(=O)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)C1 ZINC000064928715 568987753 /nfs/dbraw/zinc/98/77/53/568987753.db2.gz PRLYECWWRXEVCQ-QGZVFWFLSA-N 0 0 432.952 2.954 50 0 IFAARN COc1ccccc1N1CCN(C2=NCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000064929799 568988249 /nfs/dbraw/zinc/98/82/49/568988249.db2.gz QOIPSLRWWPJSIK-UHFFFAOYSA-N 0 0 440.978 2.593 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1ccsc1 ZINC000169677071 568989486 /nfs/dbraw/zinc/98/94/86/568989486.db2.gz OPLRDBCRAWNQCH-RDTXWAMCSA-N 0 0 435.546 2.537 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NC[C@@H]1CCCO1)C2 ZINC000169679423 568991032 /nfs/dbraw/zinc/99/10/32/568991032.db2.gz UYYVUGCEDNFQSZ-WPFOTENUSA-N 0 0 439.531 2.997 50 0 IFAARN CSc1cccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(C)cc3)ccc2=O)c1 ZINC000064943407 568992551 /nfs/dbraw/zinc/99/25/51/568992551.db2.gz BQOFXJZAMRQPPQ-UHFFFAOYSA-N 0 0 429.523 2.745 50 0 IFAARN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(CC)n2)cc1 ZINC000064947134 568995212 /nfs/dbraw/zinc/99/52/12/568995212.db2.gz RSBKRRYISBFQJZ-UHFFFAOYSA-N 0 0 444.469 2.788 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N[C@@H](C)CCc4ccccc4)C3)sc2n1 ZINC000006807204 568996430 /nfs/dbraw/zinc/99/64/30/568996430.db2.gz OSSLOEGNKDBOMN-YJBOKZPZSA-N 0 0 425.558 2.813 50 0 IFAARN O=C(Nc1cccc(Cl)c1)N1CCN([C@H](C(=O)N2CCOCC2)C2CCCC2)CC1 ZINC000036310720 568996714 /nfs/dbraw/zinc/99/67/14/568996714.db2.gz GFJMOYMLAJAEGW-FQEVSTJZSA-N 0 0 434.968 2.907 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc1N(C)C ZINC000064957732 568999094 /nfs/dbraw/zinc/99/90/94/568999094.db2.gz KGCJPLPXHXENIS-UHFFFAOYSA-N 0 0 433.578 2.878 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)c1 ZINC000064958003 568999104 /nfs/dbraw/zinc/99/91/04/568999104.db2.gz BOPHDHHIFMKVBQ-ZDUSSCGKSA-N 0 0 446.451 2.841 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc1 ZINC000064957748 568999140 /nfs/dbraw/zinc/99/91/40/568999140.db2.gz OYWOVVFAVVAXKI-UHFFFAOYSA-N 0 0 448.589 2.968 50 0 IFAARN COc1ccc(OC)c(NC(=O)NCCn2nnc3cc(C(=O)N4CCCC4)ccc32)c1 ZINC000064956950 568999331 /nfs/dbraw/zinc/99/93/31/568999331.db2.gz QKEZZKYKZQCDLB-UHFFFAOYSA-N 0 0 438.488 2.506 50 0 IFAARN Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)ccc1Br ZINC000064957367 568999472 /nfs/dbraw/zinc/99/94/72/568999472.db2.gz ODEFZPLDXQSPDG-UHFFFAOYSA-N 0 0 441.351 2.530 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCCCC4)C3)c(C)cc2NC1=O ZINC000169683976 568999987 /nfs/dbraw/zinc/99/99/87/568999987.db2.gz QNQAGBXYRUUOQI-SJLPKXTDSA-N 0 0 449.573 2.518 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000064959966 569000027 /nfs/dbraw/zinc/00/00/27/569000027.db2.gz UUYBRTHMQZWUFT-OAHLLOKOSA-N 0 0 443.403 2.551 50 0 IFAARN O=C1NC2(CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)N=C1c1cccc(Cl)c1 ZINC000064965692 569000902 /nfs/dbraw/zinc/00/09/02/569000902.db2.gz VMEWIVYPZPOMCB-UHFFFAOYSA-N 0 0 439.871 2.718 50 0 IFAARN CCn1c2c(nc(-c3cc(OC)cc(OC)c3)nc2C(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000064965935 569000976 /nfs/dbraw/zinc/00/09/76/569000976.db2.gz BECCCUDBRWHGFK-UHFFFAOYSA-N 0 0 437.431 2.524 50 0 IFAARN CC(=O)c1ccc(NC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@@H]3C2=O)cc1 ZINC000064966632 569001443 /nfs/dbraw/zinc/00/14/43/569001443.db2.gz ONYBBPWAAOGBLR-OAQYLSRUSA-N 0 0 448.523 2.935 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000064969545 569076082 /nfs/dbraw/zinc/07/60/82/569076082.db2.gz WRSLPIZDRAILLE-UHFFFAOYSA-N 0 0 433.921 2.995 50 0 IFAARN CC(=O)c1ccc(N2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC2)cc1 ZINC000036329966 569076595 /nfs/dbraw/zinc/07/65/95/569076595.db2.gz UMBKHAKWXAKTEW-UHFFFAOYSA-N 0 0 440.569 2.689 50 0 IFAARN CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCCCOC)c3ccccc32)cc1 ZINC000064971707 569076868 /nfs/dbraw/zinc/07/68/68/569076868.db2.gz OFHRVMBFVZMUCJ-UHFFFAOYSA-N 0 0 440.500 2.623 50 0 IFAARN Cc1nn(-c2ccc3nnc(C)n3n2)c(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000064977634 569077453 /nfs/dbraw/zinc/07/74/53/569077453.db2.gz MMGVIYWTUYMEHX-UHFFFAOYSA-N 0 0 433.472 2.578 50 0 IFAARN COc1ccc(NC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)c(OC)c1 ZINC000064977607 569077460 /nfs/dbraw/zinc/07/74/60/569077460.db2.gz RIXWDYREVNTONH-UHFFFAOYSA-N 0 0 435.488 2.824 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)c1 ZINC000064977552 569077480 /nfs/dbraw/zinc/07/74/80/569077480.db2.gz XSHHFZXKWWPBHC-UHFFFAOYSA-N 0 0 433.472 2.675 50 0 IFAARN Cc1nc(C)c(Cc2ccccc2F)c(N2CCN(C[C@H](O)COCC(C)C)CC2)n1 ZINC000036340370 569078788 /nfs/dbraw/zinc/07/87/88/569078788.db2.gz ZCCRKLCYSDJDIZ-NRFANRHFSA-N 0 0 430.568 2.979 50 0 IFAARN COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCN(C(C)=O)CC2)cc1 ZINC000036341212 569079144 /nfs/dbraw/zinc/07/91/44/569079144.db2.gz HKHOCUPVQALTQU-QHCPKHFHSA-N 0 0 438.503 2.676 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000036341324 569079313 /nfs/dbraw/zinc/07/93/13/569079313.db2.gz OJMMJDVFEGSDPV-OAQYLSRUSA-N 0 0 427.476 2.853 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCN(C(C)=O)CC3)[C@@H](c3ccccc3F)C2)cc1 ZINC000036341500 569079369 /nfs/dbraw/zinc/07/93/69/569079369.db2.gz AWNHYQBCURLPLX-HSZRJFAPSA-N 0 0 438.503 2.676 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCC(C(N)=O)CC3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000036342317 569079406 /nfs/dbraw/zinc/07/94/06/569079406.db2.gz IQCYQYZETSXYPC-JOCHJYFZSA-N 0 0 438.503 2.709 50 0 IFAARN COc1ccccc1C1=NN(C(=O)CN2CCN(C(C)=O)CC2)[C@H](c2cccc(F)c2)C1 ZINC000036344826 569080300 /nfs/dbraw/zinc/08/03/00/569080300.db2.gz KHVPLGJPAKTKNN-QFIPXVFZSA-N 0 0 438.503 2.676 50 0 IFAARN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CCN(C)CC2)c(OC)c1 ZINC000036343401 569080378 /nfs/dbraw/zinc/08/03/78/569080378.db2.gz HAJXWULZWQOHFX-QHCPKHFHSA-N 0 0 436.556 2.937 50 0 IFAARN CCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C ZINC000064986510 569082282 /nfs/dbraw/zinc/08/22/82/569082282.db2.gz DNMZMWLDTRPNST-UHFFFAOYSA-N 0 0 432.883 2.726 50 0 IFAARN O=C(CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1)NC[C@H]1CCCO1 ZINC000064987296 569082484 /nfs/dbraw/zinc/08/24/84/569082484.db2.gz YBNONMFXJATJPJ-MRXNPFEDSA-N 0 0 430.530 2.829 50 0 IFAARN O=C(COc1ccc(Cl)cc1)NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000064991244 569083585 /nfs/dbraw/zinc/08/35/85/569083585.db2.gz KLJQLRWZBCYHPB-UHFFFAOYSA-N 0 0 446.872 2.868 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000064988507 569083667 /nfs/dbraw/zinc/08/36/67/569083667.db2.gz FEUDDXWTVOPGMP-LJQANCHMSA-N 0 0 432.498 2.728 50 0 IFAARN CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000064988697 569083688 /nfs/dbraw/zinc/08/36/88/569083688.db2.gz DPKIABGYQJOPRV-HXUWFJFHSA-N 0 0 445.541 2.691 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCCCC3)N2C(=O)c2ccccc2)CC1 ZINC000006833419 569084316 /nfs/dbraw/zinc/08/43/16/569084316.db2.gz JKTVYVXBYSSWEM-FQEVSTJZSA-N 0 0 428.529 2.990 50 0 IFAARN O=C(Nc1ccc(F)cc1F)c1nnc(CNS(=O)(=O)c2cccc(F)c2)s1 ZINC000064991830 569084347 /nfs/dbraw/zinc/08/43/47/569084347.db2.gz XACMUXJUUJXBAJ-UHFFFAOYSA-N 0 0 428.417 2.686 50 0 IFAARN O=C(Nc1nccs1)c1ccc(OCc2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 ZINC000036357715 569085154 /nfs/dbraw/zinc/08/51/54/569085154.db2.gz KAGYLWCBEWTONF-UHFFFAOYSA-N 0 0 449.510 2.588 50 0 IFAARN COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3C)cc1OC ZINC000036358779 569085288 /nfs/dbraw/zinc/08/52/88/569085288.db2.gz MZDZZLIBHHRURB-UHFFFAOYSA-N 0 0 436.390 2.864 50 0 IFAARN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)o1 ZINC000036360616 569086543 /nfs/dbraw/zinc/08/65/43/569086543.db2.gz BFVKOKVWNHWXPK-SFHVURJKSA-N 0 0 431.510 2.909 50 0 IFAARN COc1ccc(NC(=O)N(C)Cc2nc3cc(C(=O)N(C)C)ccc3n2C)cc1OC ZINC000065008373 569087500 /nfs/dbraw/zinc/08/75/00/569087500.db2.gz HCZFPRHPGZDEFL-UHFFFAOYSA-N 0 0 425.489 2.956 50 0 IFAARN Cc1c(S(=O)(=O)NCCC2CCN(C(=O)c3ccccc3)CC2)cnn1C(F)F ZINC000065007506 569087628 /nfs/dbraw/zinc/08/76/28/569087628.db2.gz NWNGEULVMGKWFP-UHFFFAOYSA-N 0 0 426.489 2.807 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccnc1 ZINC000036369900 569088449 /nfs/dbraw/zinc/08/84/49/569088449.db2.gz XNNCOHOQOQKCPM-FQEVSTJZSA-N 0 0 437.456 2.788 50 0 IFAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4ccccc4F)c(C)cc32)no1 ZINC000065022643 569088991 /nfs/dbraw/zinc/08/89/91/569088991.db2.gz YZUNUHRLCJBHEU-UHFFFAOYSA-N 0 0 446.460 2.806 50 0 IFAARN COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)CC2)c1 ZINC000065021968 569089125 /nfs/dbraw/zinc/08/91/25/569089125.db2.gz NYQKGBIAFACMDK-UHFFFAOYSA-N 0 0 447.538 2.638 50 0 IFAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)c1 ZINC000065022083 569089136 /nfs/dbraw/zinc/08/91/36/569089136.db2.gz IQHZCJVHPVXDTK-UHFFFAOYSA-N 0 0 445.566 2.948 50 0 IFAARN CC(C)n1c(=O)cc(N2CCCN(C(=O)c3cccc(N(C)C)c3)CC2)n(C(C)C)c1=O ZINC000065024432 569089565 /nfs/dbraw/zinc/08/95/65/569089565.db2.gz ABMFVVZPKCCLFQ-UHFFFAOYSA-N 0 0 441.576 2.590 50 0 IFAARN Cc1ccc(CC(=O)N2CCCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)cc1 ZINC000065024454 569089568 /nfs/dbraw/zinc/08/95/68/569089568.db2.gz FHRUPQVWZAARLH-UHFFFAOYSA-N 0 0 426.561 2.762 50 0 IFAARN Cc1ccccc1CC(=O)N1CCCN(c2cc(=O)n(C(C)C)c(=O)n2C(C)C)CC1 ZINC000065024476 569089600 /nfs/dbraw/zinc/08/96/00/569089600.db2.gz UFAJCIFVKVLPAZ-UHFFFAOYSA-N 0 0 426.561 2.762 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)NC1CCCCC1)OCC(=O)N2Cc1noc(C2CC2)n1 ZINC000065022758 569089759 /nfs/dbraw/zinc/08/97/59/569089759.db2.gz RSSMDJGDXCGSAY-UHFFFAOYSA-N 0 0 446.529 2.792 50 0 IFAARN Cc1cccc(NC(=O)NCCn2nnc3cc(S(=O)(=O)NC(C)C)ccc32)c1C ZINC000065029978 569091233 /nfs/dbraw/zinc/09/12/33/569091233.db2.gz WAKYXWLIWRCONC-UHFFFAOYSA-N 0 0 430.534 2.557 50 0 IFAARN Cc1ccc(NC(=O)NCCn2nnc3cc(S(=O)(=O)NC(C)C)ccc32)c(C)c1 ZINC000065029997 569091243 /nfs/dbraw/zinc/09/12/43/569091243.db2.gz SESBYOWITNWOAD-UHFFFAOYSA-N 0 0 430.534 2.557 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)c1 ZINC000065034725 569092233 /nfs/dbraw/zinc/09/22/33/569092233.db2.gz NSCYGYKEGITZSX-UHFFFAOYSA-N 0 0 443.525 2.748 50 0 IFAARN CCOc1ccccc1OCCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000036384774 569092929 /nfs/dbraw/zinc/09/29/29/569092929.db2.gz OVQCQDRNCTYIGD-UHFFFAOYSA-N 0 0 429.492 2.776 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C ZINC000036386924 569093335 /nfs/dbraw/zinc/09/33/35/569093335.db2.gz UQPHIMSYABJOHJ-UHFFFAOYSA-N 0 0 443.569 2.512 50 0 IFAARN CC1=NS(=O)(=O)N(Cc2ccccc2)C=C1C(=O)OCc1nc(-c2cccs2)no1 ZINC000169755110 569093380 /nfs/dbraw/zinc/09/33/80/569093380.db2.gz VYKDMMGMHYINQK-UHFFFAOYSA-N 0 0 444.494 2.947 50 0 IFAARN COc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC(C)C)CC4)c3CO2)cc1 ZINC000169758862 569093913 /nfs/dbraw/zinc/09/39/13/569093913.db2.gz KBOHLJWRTPPELH-OAQYLSRUSA-N 0 0 440.544 2.788 50 0 IFAARN O=C(CN1C2=C(C(=O)OC2)[C@@H](c2ccc(Cl)cc2)NC1=O)Nc1ccc2c(c1)OCO2 ZINC000169758977 569093957 /nfs/dbraw/zinc/09/39/57/569093957.db2.gz UOHUFSSVKJELAF-LJQANCHMSA-N 0 0 441.827 2.585 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CN1C2=C(C(=O)OC2)[C@H](c2ccc(C)cc2)NC1=O ZINC000169757938 569094180 /nfs/dbraw/zinc/09/41/80/569094180.db2.gz MFQWPSJJCDVVLN-NRFANRHFSA-N 0 0 449.463 2.688 50 0 IFAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)NCCCc2ccccc2)C2=C1C(=O)OC2 ZINC000169758168 569094395 /nfs/dbraw/zinc/09/43/95/569094395.db2.gz CNTSTXLFNRIRHB-HSZRJFAPSA-N 0 0 449.507 2.712 50 0 IFAARN O=C(NCc1ccco1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000169758714 569094482 /nfs/dbraw/zinc/09/44/82/569094482.db2.gz IHFBXJUTTVPDFT-NRFANRHFSA-N 0 0 434.496 2.916 50 0 IFAARN O=C(NCC1CC1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000169758606 569094492 /nfs/dbraw/zinc/09/44/92/569094492.db2.gz KJDMJYNPUQNVJU-FQEVSTJZSA-N 0 0 426.492 2.672 50 0 IFAARN O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000169760022 569094605 /nfs/dbraw/zinc/09/46/05/569094605.db2.gz GAAHGQWDNXKLOA-UHFFFAOYSA-N 0 0 439.947 2.767 50 0 IFAARN Cc1ccccc1N(C)C(=O)Cn1c(=O)c2cnc(-c3ccc(Cl)cc3)nc2n(C)c1=O ZINC000065057082 569094991 /nfs/dbraw/zinc/09/49/91/569094991.db2.gz WKQYJOGMMBQIDX-UHFFFAOYSA-N 0 0 449.898 2.782 50 0 IFAARN CN(C(=O)Cn1c(=O)c2cnc(-c3ccc(Cl)cc3)nc2n(C)c1=O)C1CCCCC1 ZINC000065057051 569094993 /nfs/dbraw/zinc/09/49/93/569094993.db2.gz KYPGIMDTLWCQHK-UHFFFAOYSA-N 0 0 441.919 2.602 50 0 IFAARN Cn1c(=O)n(CC(=O)Nc2ccc(F)cc2Cl)c(=O)c2cnc(-c3ccccc3)nc21 ZINC000065057335 569095136 /nfs/dbraw/zinc/09/51/36/569095136.db2.gz GPJCWTGNOAVTQK-UHFFFAOYSA-N 0 0 439.834 2.588 50 0 IFAARN COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000065060214 569095888 /nfs/dbraw/zinc/09/58/88/569095888.db2.gz DFYCKXAASFMHEQ-UHFFFAOYSA-N 0 0 447.538 2.867 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)N1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000036396024 569098824 /nfs/dbraw/zinc/09/88/24/569098824.db2.gz LWVYTAMMTLVINX-ZIAGYGMSSA-N 0 0 447.395 2.720 50 0 IFAARN CCc1ccc(-n2c(CN3CCN(C(=O)NC[C@H]4CCCO4)CC3)nc3cccnc32)cc1 ZINC000065075349 569099625 /nfs/dbraw/zinc/09/96/25/569099625.db2.gz BNTOYCJMKRLWGD-OAQYLSRUSA-N 0 0 448.571 2.989 50 0 IFAARN CCc1ccc(-n2c(CN3CCN(C(=O)NCCCOC)CC3)nc3cccnc32)cc1 ZINC000065075336 569099673 /nfs/dbraw/zinc/09/96/73/569099673.db2.gz SCYXXKUHGOGELN-UHFFFAOYSA-N 0 0 436.560 2.847 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2=O)cc1 ZINC000065076572 569099895 /nfs/dbraw/zinc/09/98/95/569099895.db2.gz JNFHPLDHATWNMT-HNNXBMFYSA-N 0 0 430.464 2.676 50 0 IFAARN O=C(Cn1nc(C(=O)N2CCc3ccccc32)ccc1=O)Nc1ccc(Cl)cc1F ZINC000065076643 569099924 /nfs/dbraw/zinc/09/99/24/569099924.db2.gz AOIOJVDTDFOZCG-UHFFFAOYSA-N 0 0 426.835 2.877 50 0 IFAARN C[C@@H]1CSc2ccc(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)cc2NC1=O ZINC000065078325 569100487 /nfs/dbraw/zinc/10/04/87/569100487.db2.gz YQKRPBGSHFDCIQ-CYBMUJFWSA-N 0 0 436.530 2.986 50 0 IFAARN O=C(CN1c2ccc(S(=O)(=O)N3CCCC3)cc2CCCC1=O)NCc1cccs1 ZINC000065078543 569100640 /nfs/dbraw/zinc/10/06/40/569100640.db2.gz PWWHZGKPHXVFFV-UHFFFAOYSA-N 0 0 447.582 2.518 50 0 IFAARN O=C(CN1c2ccc(S(=O)(=O)N3CCCC3)cc2CCCC1=O)NC1CCCCC1 ZINC000065078483 569100682 /nfs/dbraw/zinc/10/06/82/569100682.db2.gz DZNFGESOTNLDOQ-UHFFFAOYSA-N 0 0 433.574 2.589 50 0 IFAARN COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1 ZINC000065077832 569100790 /nfs/dbraw/zinc/10/07/90/569100790.db2.gz RAISJMSEOQADFL-AWEZNQCLSA-N 0 0 448.566 2.998 50 0 IFAARN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000036398835 569101569 /nfs/dbraw/zinc/10/15/69/569101569.db2.gz XMMLNGJTNAUWCH-LJISPDSOSA-N 0 0 430.954 2.728 50 0 IFAARN C[C@H](C(=O)NC1CCCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000036398871 569101634 /nfs/dbraw/zinc/10/16/34/569101634.db2.gz KVJOZXVKUIKRRD-MRXNPFEDSA-N 0 0 427.998 2.874 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)cc1 ZINC000169775897 569101951 /nfs/dbraw/zinc/10/19/51/569101951.db2.gz VPJDNDYLJXPRAK-UHFFFAOYSA-N 0 0 446.463 2.720 50 0 IFAARN Cc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(Br)cc4)CC3)nn2)n1 ZINC000169777324 569102839 /nfs/dbraw/zinc/10/28/39/569102839.db2.gz FURFSSIMXMRAQD-UHFFFAOYSA-N 0 0 431.294 2.805 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CC(=O)N4CCCCCC4)CC3)ccc21 ZINC000065085598 569103240 /nfs/dbraw/zinc/10/32/40/569103240.db2.gz DVINILLIKLALLD-UHFFFAOYSA-N 0 0 447.601 2.789 50 0 IFAARN CC[C@H](C)NC(=O)CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C(C)C)CC1 ZINC000065086050 569103343 /nfs/dbraw/zinc/10/33/43/569103343.db2.gz ULEWRBACSGRTHV-HNNXBMFYSA-N 0 0 437.562 2.881 50 0 IFAARN O=C(c1nc(-c2csc(S(=O)(=O)NCc3ccc(F)cc3)c2)no1)N1CCCC1 ZINC000065097429 569103876 /nfs/dbraw/zinc/10/38/76/569103876.db2.gz GUHWYLGVDOZLPZ-UHFFFAOYSA-N 0 0 436.490 2.652 50 0 IFAARN CCc1ccc(NC(=O)Cn2nc3ccc(C(=O)NCc4ccc(C)cc4)cn3c2=O)cc1 ZINC000065100342 569105445 /nfs/dbraw/zinc/10/54/45/569105445.db2.gz YGRCCSDNEPZXBB-UHFFFAOYSA-N 0 0 443.507 2.936 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)c(F)c1 ZINC000065100310 569105464 /nfs/dbraw/zinc/10/54/64/569105464.db2.gz ALOYHMNNTSCXIX-UHFFFAOYSA-N 0 0 433.443 2.512 50 0 IFAARN Cc1cc(C)cc(NC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)c1 ZINC000065100200 569105515 /nfs/dbraw/zinc/10/55/15/569105515.db2.gz IKTPBPOWSYQGQT-UHFFFAOYSA-N 0 0 429.480 2.682 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)Nc4ccc(C)cc4)c(=O)n3c2)cc1 ZINC000065100338 569105519 /nfs/dbraw/zinc/10/55/19/569105519.db2.gz HDHMCKHFOLZZHU-UHFFFAOYSA-N 0 0 429.480 2.682 50 0 IFAARN CSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)NCc1ccco1 ZINC000065100529 569105604 /nfs/dbraw/zinc/10/56/04/569105604.db2.gz IPYPOOXYDVLJBO-UHFFFAOYSA-N 0 0 442.522 2.549 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)Nc1ccc2ccccc2c1 ZINC000036411604 569105610 /nfs/dbraw/zinc/10/56/10/569105610.db2.gz ZABDMWSPOXGERT-UHFFFAOYSA-N 0 0 430.574 2.517 50 0 IFAARN COc1ccc(S(=O)(=O)CCc2noc(C(=O)NCCc3ccc(Cl)cc3)n2)cc1 ZINC000065117602 569107643 /nfs/dbraw/zinc/10/76/43/569107643.db2.gz DAKFGBKMIISDMI-UHFFFAOYSA-N 0 0 449.916 2.721 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCC4)C3)c(C)cc2NC1=O ZINC000169793961 569108338 /nfs/dbraw/zinc/10/83/38/569108338.db2.gz LMIYEPVMDHMWTK-CRAIPNDOSA-N 0 0 449.573 2.564 50 0 IFAARN CCn1c(=O)c(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc2cccnc21 ZINC000065113306 569108446 /nfs/dbraw/zinc/10/84/46/569108446.db2.gz GZNXWGQRGZHUOO-UHFFFAOYSA-N 0 0 431.418 2.793 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NCc3ccc(F)c(Cl)c3)o2)cc1 ZINC000065113948 569108589 /nfs/dbraw/zinc/10/85/89/569108589.db2.gz HZJJODOELFBHNF-UHFFFAOYSA-N 0 0 438.868 2.709 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)cc1 ZINC000169795990 569108688 /nfs/dbraw/zinc/10/86/88/569108688.db2.gz RZSDSFCQTZYJJJ-CRAIPNDOSA-N 0 0 443.525 2.815 50 0 IFAARN Cc1cccc(S(=O)(=O)N2CCN(c3ncccc3-c3nnc(C4CC4)o3)CC2)c1 ZINC000065118272 569108887 /nfs/dbraw/zinc/10/88/87/569108887.db2.gz XBYKIAUQBCVSOI-UHFFFAOYSA-N 0 0 425.514 2.828 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1)Nc1ccc(F)c(F)c1 ZINC000065131806 569109680 /nfs/dbraw/zinc/10/96/80/569109680.db2.gz HSDQZJULSHKEDT-ZDUSSCGKSA-N 0 0 447.511 2.981 50 0 IFAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)NCc3ccccc3)nn2)C1 ZINC000065131934 569109682 /nfs/dbraw/zinc/10/96/82/569109682.db2.gz WLFGQDCBIGUCNU-SFHVURJKSA-N 0 0 427.574 2.628 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2nc(N3CCSCC3)c3ccccc3c2=O)c1 ZINC000065134355 569110160 /nfs/dbraw/zinc/11/01/60/569110160.db2.gz DCJQVQDBFNBNJA-UHFFFAOYSA-N 0 0 440.525 2.606 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)c1cc2ccccc2o1 ZINC000036450887 569111249 /nfs/dbraw/zinc/11/12/49/569111249.db2.gz ILTPGDMTGGGGPU-HXOBKFHXSA-N 0 0 449.507 2.594 50 0 IFAARN CCc1cccc(NC(=O)Cn2nc3c(N4CCc5ccccc5C4)nccn3c2=O)c1 ZINC000065151565 569111369 /nfs/dbraw/zinc/11/13/69/569111369.db2.gz XQEDWUOPBWVSQB-UHFFFAOYSA-N 0 0 428.496 2.655 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1nc2c(Oc3cc(C)cc(C)c3)nccn2c1=O ZINC000065150827 569111416 /nfs/dbraw/zinc/11/14/16/569111416.db2.gz YHYPMLAGEYQPFE-UHFFFAOYSA-N 0 0 447.451 2.725 50 0 IFAARN COc1cccc(NC(=O)Cn2nc3c(Oc4cccc(Cl)c4)nccn3c2=O)c1 ZINC000065150872 569111619 /nfs/dbraw/zinc/11/16/19/569111619.db2.gz JSOYWUSNGXPHHG-UHFFFAOYSA-N 0 0 425.832 2.984 50 0 IFAARN CCn1cc(C(=O)Nc2cccc(C(=O)OC)c2)c(S(=O)(=O)N2CCCCCC2)n1 ZINC000065152605 569111873 /nfs/dbraw/zinc/11/18/73/569111873.db2.gz KIIFVNPUKLAKJP-UHFFFAOYSA-N 0 0 434.518 2.507 50 0 IFAARN CCc1nc2c(-c3ccncc3)nsc2c(=O)n1CC(=O)NCc1cccc(OC)c1 ZINC000065171071 569112787 /nfs/dbraw/zinc/11/27/87/569112787.db2.gz RVTJWHRIDFLGSJ-UHFFFAOYSA-N 0 0 435.509 2.802 50 0 IFAARN COCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000065170317 569112811 /nfs/dbraw/zinc/11/28/11/569112811.db2.gz AABRJJFHZBWKKO-JOCHJYFZSA-N 0 0 427.932 2.761 50 0 IFAARN COc1cccc(-c2noc(Cn3ccn(-c4cc(C)cc(C)c4)c(=O)c3=O)n2)c1OC ZINC000065198542 569114913 /nfs/dbraw/zinc/11/49/13/569114913.db2.gz KNJLXBWHMVIUAQ-UHFFFAOYSA-N 0 0 434.452 2.732 50 0 IFAARN Cc1nnc2ccc(S(=O)(=O)N(CC(=O)OC(C)(C)C)c3ccc(F)c(F)c3)cn12 ZINC000065199233 569115052 /nfs/dbraw/zinc/11/50/52/569115052.db2.gz LUFAXQZGZSBUBK-UHFFFAOYSA-N 0 0 438.456 2.853 50 0 IFAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1 ZINC000065200395 569115153 /nfs/dbraw/zinc/11/51/53/569115153.db2.gz SLJIOOWOWHZBLS-UHFFFAOYSA-N 0 0 440.491 2.957 50 0 IFAARN COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cc(C)cc(C)c4)nn3)CC2)cc1 ZINC000065195891 569115554 /nfs/dbraw/zinc/11/55/54/569115554.db2.gz JFYJYBTZXLUJMC-UHFFFAOYSA-N 0 0 433.512 2.927 50 0 IFAARN O=C(C1CCC1)N1CCc2sc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2C1 ZINC000065196273 569115644 /nfs/dbraw/zinc/11/56/44/569115644.db2.gz STFFQTWNDJMQKI-UHFFFAOYSA-N 0 0 445.610 2.944 50 0 IFAARN O=C(C1CC1)N1CCc2sc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2C1 ZINC000065196223 569115679 /nfs/dbraw/zinc/11/56/79/569115679.db2.gz BUUVQLZRKGQADD-UHFFFAOYSA-N 0 0 431.583 2.554 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3cn(-c4ccc(NC(=O)C5CC5)cn4)cn3)CC2)c1 ZINC000065197060 569115875 /nfs/dbraw/zinc/11/58/75/569115875.db2.gz CCAIIZLXCGYEGZ-UHFFFAOYSA-N 0 0 430.512 2.887 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2cn(-c3ccc(NC(=O)C4CC4)cn3)cn2)CC1 ZINC000065197050 569115903 /nfs/dbraw/zinc/11/59/03/569115903.db2.gz ARNMILFFAVBXJK-UHFFFAOYSA-N 0 0 446.511 2.587 50 0 IFAARN O=C(Cn1ccc2ccc(N3CCOCC3)nc21)N1CCN(c2ccccc2Cl)CC1 ZINC000065212061 569116655 /nfs/dbraw/zinc/11/66/55/569116655.db2.gz MARSLVHUTUSRST-UHFFFAOYSA-N 0 0 439.947 2.875 50 0 IFAARN O=C(Cn1ccc2ccc(N3CCOCC3)nc21)NCc1cccc(Br)c1 ZINC000065212114 569116758 /nfs/dbraw/zinc/11/67/58/569116758.db2.gz PTBQTEOLESPNBI-UHFFFAOYSA-N 0 0 429.318 2.952 50 0 IFAARN Cc1ccc(CNC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccccc3)c2=O)cc1 ZINC000065212450 569116785 /nfs/dbraw/zinc/11/67/85/569116785.db2.gz SFFQFHPBGHZUHI-UHFFFAOYSA-N 0 0 425.510 2.582 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-n2cc(CNC(=O)C3CC3)cn2)cc1 ZINC000065213164 569116828 /nfs/dbraw/zinc/11/68/28/569116828.db2.gz MJBLYTFAESTYCM-UHFFFAOYSA-N 0 0 445.523 2.987 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NC3CCCCCC3)c2=O)cc1 ZINC000065212621 569116928 /nfs/dbraw/zinc/11/69/28/569116928.db2.gz VJAVXRFJGQOECE-UHFFFAOYSA-N 0 0 447.557 2.805 50 0 IFAARN O=C(C1CCN(c2cncnc2N2CCCC2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000065226328 569117823 /nfs/dbraw/zinc/11/78/23/569117823.db2.gz NNCUGLXCNQMKJY-UHFFFAOYSA-N 0 0 438.551 2.781 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2cc(N3CCSCC3)ncn2)CC1 ZINC000065237077 569119565 /nfs/dbraw/zinc/11/95/65/569119565.db2.gz OIVKIDSGYDXENT-UHFFFAOYSA-N 0 0 441.557 2.656 50 0 IFAARN COc1ccc(NC(=O)C2CCN(c3cc(N4CCSCC4)ncn3)CC2)cc1OC ZINC000065237071 569119631 /nfs/dbraw/zinc/11/96/31/569119631.db2.gz VFOFXIXRLRVSJU-UHFFFAOYSA-N 0 0 443.573 2.902 50 0 IFAARN COc1cc(NC(=O)CC[C@H]2NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC ZINC000036579878 569119768 /nfs/dbraw/zinc/11/97/68/569119768.db2.gz XODUPHRYWBRZQL-MRXNPFEDSA-N 0 0 427.457 2.756 50 0 IFAARN C=C1C(N2CCC(NC(=O)[C@@H]3CCCO3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239100 569119934 /nfs/dbraw/zinc/11/99/34/569119934.db2.gz SRTPCZUFBLIFRR-KRWDZBQOSA-N 0 0 437.949 2.573 50 0 IFAARN O=C(N[C@@H](CO)c1ccccc1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000036584889 569119954 /nfs/dbraw/zinc/11/99/54/569119954.db2.gz CRVJKADYBFLZHF-IAYYMHMVSA-N 0 0 434.533 2.760 50 0 IFAARN C=C1C(N2CCCN(C(=O)Cc3ccsc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239332 569120332 /nfs/dbraw/zinc/12/03/32/569120332.db2.gz RLOUZQGWMWWQEE-UHFFFAOYSA-N 0 0 429.567 2.998 50 0 IFAARN C=C1C(N2CCCN(C(=O)COc3ccccc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239345 569120339 /nfs/dbraw/zinc/12/03/39/569120339.db2.gz FPOAHEOBVBVPHC-UHFFFAOYSA-N 0 0 439.537 2.773 50 0 IFAARN C=C1C(N2CCCN(C(=O)c3cccnc3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239407 569120522 /nfs/dbraw/zinc/12/05/22/569120522.db2.gz GVBSLPROZQOXAY-UHFFFAOYSA-N 0 0 428.489 2.542 50 0 IFAARN COc1ccccc1CNC(=O)Cn1c2cccnc2n2nc(-c3ccco3)cc2c1=O ZINC000065240311 569120805 /nfs/dbraw/zinc/12/08/05/569120805.db2.gz HMPCWVKCTMGGSW-UHFFFAOYSA-N 0 0 429.436 2.629 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC ZINC000036589890 569121157 /nfs/dbraw/zinc/12/11/57/569121157.db2.gz JUTSJPMJJCXQLC-KNQAVFIVSA-N 0 0 434.496 2.860 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CC[C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)CC1 ZINC000065245269 569121644 /nfs/dbraw/zinc/12/16/44/569121644.db2.gz NRXDHTIRSVZOFG-QGZVFWFLSA-N 0 0 429.565 2.849 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2nc(-c3ccnc(N4CCCCCC4)c3)no2)CC1 ZINC000065246054 569121755 /nfs/dbraw/zinc/12/17/55/569121755.db2.gz XRDNCXHLLYKKTE-UHFFFAOYSA-N 0 0 427.505 2.927 50 0 IFAARN Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCCn1nc(C(F)(F)F)c2c1CCC2 ZINC000036615116 569122408 /nfs/dbraw/zinc/12/24/08/569122408.db2.gz AIPHFZAAHIJSOY-UHFFFAOYSA-N 0 0 441.426 2.968 50 0 IFAARN C[C@@H](NC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1)c1ccccc1 ZINC000065254300 569122533 /nfs/dbraw/zinc/12/25/33/569122533.db2.gz DORQGLCHGKPPAM-MRXNPFEDSA-N 0 0 425.514 2.543 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)Nc4ccccc4)c3)nc2)C1 ZINC000065254309 569122557 /nfs/dbraw/zinc/12/25/57/569122557.db2.gz RERQOENKDTUECN-MRXNPFEDSA-N 0 0 425.514 2.940 50 0 IFAARN COc1cccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)c1 ZINC000065259813 569124853 /nfs/dbraw/zinc/12/48/53/569124853.db2.gz YYIDUWBUQJFGPJ-OAQYLSRUSA-N 0 0 443.569 2.978 50 0 IFAARN COc1ccccc1CNC(=O)[C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259749 569124899 /nfs/dbraw/zinc/12/48/99/569124899.db2.gz MBAIFSATDGHSQV-HXUWFJFHSA-N 0 0 443.569 2.978 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)Cc2ccco2)cc1 ZINC000013134827 569125547 /nfs/dbraw/zinc/12/55/47/569125547.db2.gz MFOJDRRYNOMLPU-UHFFFAOYSA-N 0 0 428.510 2.838 50 0 IFAARN COc1c(C)cnc(CNS(=O)(=O)c2cc3c(cc2Br)OCCO3)c1C ZINC000065268037 569126948 /nfs/dbraw/zinc/12/69/48/569126948.db2.gz RSJYQJQFNQBYMA-UHFFFAOYSA-N 0 0 443.319 2.719 50 0 IFAARN COCCN=C1Nc2ccccc2CN[C@@]12CCN(C(=O)COc1cccc(Cl)c1)C2 ZINC000065265813 569127224 /nfs/dbraw/zinc/12/72/24/569127224.db2.gz QXLCSIKRJVHIBG-HSZRJFAPSA-N 0 0 442.947 2.759 50 0 IFAARN COc1ccc(C(=O)N2CC[C@@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)c(OC)n1 ZINC000065265936 569127289 /nfs/dbraw/zinc/12/72/89/569127289.db2.gz MSCPLBDYRCPTBP-DEOSSOPVSA-N 0 0 437.544 2.905 50 0 IFAARN O=C(NCc1nc(-c2c(F)cccc2Cl)no1)c1c2c(sc1-n1cnnn1)CCC2 ZINC000524733557 569127839 /nfs/dbraw/zinc/12/78/39/569127839.db2.gz VQJUJIBGMQDSJW-UHFFFAOYSA-N 0 0 445.867 2.985 50 0 IFAARN COc1cc2c(cc1OC)[C@H](NC(=O)CCc1nnc3ccc(OC(C)C)nn31)CC2 ZINC000524733656 569127881 /nfs/dbraw/zinc/12/78/81/569127881.db2.gz AMDULWLXOWAOSH-MRXNPFEDSA-N 0 0 425.489 2.665 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c(OC)c1 ZINC000065272803 569129191 /nfs/dbraw/zinc/12/91/91/569129191.db2.gz QPDAJUNYELPAFQ-HNNXBMFYSA-N 0 0 444.553 2.659 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)cc1OC ZINC000065272813 569129238 /nfs/dbraw/zinc/12/92/38/569129238.db2.gz ALLMWLNZYHXOTR-INIZCTEOSA-N 0 0 444.553 2.659 50 0 IFAARN CCOc1ccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc1 ZINC000065273315 569129324 /nfs/dbraw/zinc/12/93/24/569129324.db2.gz DDAHJAQETCDHST-INIZCTEOSA-N 0 0 428.558 2.954 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc(OC)c1 ZINC000065273302 569129391 /nfs/dbraw/zinc/12/93/91/569129391.db2.gz DSSRVWFVGHQQOR-OAHLLOKOSA-N 0 0 444.557 2.572 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2ccc(C)c(C)c2)CC3)CC1 ZINC000065273386 569129502 /nfs/dbraw/zinc/12/95/02/569129502.db2.gz IUKCNJJANVONSS-LJQANCHMSA-N 0 0 426.586 2.850 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2ccc(OC)cc2)CC3)CC1 ZINC000065273500 569129584 /nfs/dbraw/zinc/12/95/84/569129584.db2.gz VTUNFLRVTHCXOQ-QGZVFWFLSA-N 0 0 442.585 2.632 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc4c(c2)OCO4)CC3)CC1 ZINC000065273459 569129631 /nfs/dbraw/zinc/12/96/31/569129631.db2.gz GLWDMWFXFLUCMM-AWEZNQCLSA-N 0 0 442.541 2.674 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2cc(F)ccc2F)CC3)CC1 ZINC000065273581 569129716 /nfs/dbraw/zinc/12/97/16/569129716.db2.gz MWQIVBXBHGJVNC-AWEZNQCLSA-N 0 0 448.539 2.901 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccccc2C)CC3)CC1 ZINC000065273541 569129723 /nfs/dbraw/zinc/12/97/23/569129723.db2.gz MXHYMPYUDJHWRX-KRWDZBQOSA-N 0 0 426.586 2.931 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2cccc(C)c2)CC3)CC1 ZINC000065273557 569129772 /nfs/dbraw/zinc/12/97/72/569129772.db2.gz IQNDWNBLSJWADV-SFHVURJKSA-N 0 0 426.586 2.931 50 0 IFAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2cccs2)CC3)CC1 ZINC000065273676 569129971 /nfs/dbraw/zinc/12/99/71/569129971.db2.gz RJQJLPUTYGOCJP-OAHLLOKOSA-N 0 0 432.615 2.931 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)c2nc3nn(C)cc3c(N3CCSCC3)n2)cc1 ZINC000065284445 569130128 /nfs/dbraw/zinc/13/01/28/569130128.db2.gz CLNIUBQDPFCDDN-UHFFFAOYSA-N 0 0 426.546 2.634 50 0 IFAARN O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccccc1S(=O)(=O)C(F)F ZINC000036662491 569130350 /nfs/dbraw/zinc/13/03/50/569130350.db2.gz TXFJUKKEPBFVIR-UHFFFAOYSA-N 0 0 436.392 2.997 50 0 IFAARN CC(C)Cn1c2cnccc2nc(N2CCN(C(=O)CSc3ccccc3)CC2)c1=O ZINC000065292825 569130818 /nfs/dbraw/zinc/13/08/18/569130818.db2.gz DAWMUQCRDBDWDD-UHFFFAOYSA-N 0 0 437.569 2.888 50 0 IFAARN COc1ccc(CC(=O)N2CCCN([C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1 ZINC000065293283 569130841 /nfs/dbraw/zinc/13/08/41/569130841.db2.gz ZQIGXDQFTGLIMW-HSZRJFAPSA-N 0 0 439.531 2.712 50 0 IFAARN Cc1ccccc1OCC(=O)N1CCCN([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293325 569131066 /nfs/dbraw/zinc/13/10/66/569131066.db2.gz RACSGCYRYGBFPM-JOCHJYFZSA-N 0 0 439.531 2.848 50 0 IFAARN COc1ccccc1NC(=O)Cn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1 ZINC000065295465 569131483 /nfs/dbraw/zinc/13/14/83/569131483.db2.gz KKIVDQSUJQAPBY-UHFFFAOYSA-N 0 0 443.511 2.800 50 0 IFAARN CC1CCN(c2ncnc3c2cnn3CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000065295471 569131524 /nfs/dbraw/zinc/13/15/24/569131524.db2.gz ZEGMKDGWLRICHJ-UHFFFAOYSA-N 0 0 435.532 2.538 50 0 IFAARN CC(=O)Nc1nsc(N2CCC(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)n1 ZINC000065307670 569132514 /nfs/dbraw/zinc/13/25/14/569132514.db2.gz BEYRBOHTWWTJHD-UHFFFAOYSA-N 0 0 448.980 2.715 50 0 IFAARN CC(C)CCn1c2nn(CC(=O)Nc3ccc(F)cc3F)c(=O)n2c2ccsc2c1=O ZINC000065305158 569132921 /nfs/dbraw/zinc/13/29/21/569132921.db2.gz QDIRHKIUPDCBCD-UHFFFAOYSA-N 0 0 447.467 2.835 50 0 IFAARN CC(C)CCn1c2nn(CC(=O)Nc3ccc(F)c(F)c3)c(=O)n2c2ccsc2c1=O ZINC000065305174 569132934 /nfs/dbraw/zinc/13/29/34/569132934.db2.gz BGIUIRHOCZQFJB-UHFFFAOYSA-N 0 0 447.467 2.835 50 0 IFAARN CC(C)Cn1c2nn(CC(=O)Nc3ccc(Cl)cc3)c(=O)n2c2ccsc2c1=O ZINC000065305273 569133068 /nfs/dbraw/zinc/13/30/68/569133068.db2.gz PAVQQJNOCJOFGR-UHFFFAOYSA-N 0 0 431.905 2.821 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3Cc3ccco3)c2=O)cc1C ZINC000065305511 569133263 /nfs/dbraw/zinc/13/32/63/569133263.db2.gz SHICKUXQKWBFKC-UHFFFAOYSA-N 0 0 449.492 2.769 50 0 IFAARN Cc1cc(N2CCOCC2)n2nc(CN3CCN(c4cc(Cl)ccc4C)CC3)nc2n1 ZINC000065311583 569133510 /nfs/dbraw/zinc/13/35/10/569133510.db2.gz CBGKSLRNSWLZKV-UHFFFAOYSA-N 0 0 441.967 2.553 50 0 IFAARN COc1ccc(CC(=O)N2CCN(c3cc(C(C)C)n4cnnc4n3)CC2)c(Cl)c1 ZINC000065311966 569133591 /nfs/dbraw/zinc/13/35/91/569133591.db2.gz ZSKVRCLTRYVAGL-UHFFFAOYSA-N 0 0 428.924 2.801 50 0 IFAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3ccccc3OC)nn2)CC1 ZINC000065315268 569133832 /nfs/dbraw/zinc/13/38/32/569133832.db2.gz URXVDGXJJMAJHM-UHFFFAOYSA-N 0 0 443.573 2.959 50 0 IFAARN CN(CCc1ccccn1)C(=O)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314016 569135435 /nfs/dbraw/zinc/13/54/35/569135435.db2.gz XFTDNNUOJQVDDG-NRFANRHFSA-N 0 0 431.540 2.604 50 0 IFAARN CC1CCC(NC(=O)CN2c3ccc(S(=O)(=O)N4CCCC4)cc3C(C)(C)C2=O)CC1 ZINC000065314775 569135541 /nfs/dbraw/zinc/13/55/41/569135541.db2.gz AWEQNGYDAYDXMP-UHFFFAOYSA-N 0 0 447.601 2.790 50 0 IFAARN O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)Nc1ccc(F)cc1F ZINC000065314728 569135619 /nfs/dbraw/zinc/13/56/19/569135619.db2.gz UXHJXDZYHLBAIX-UHFFFAOYSA-N 0 0 447.511 2.981 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)NC2CCCC2)C1 ZINC000065314800 569135631 /nfs/dbraw/zinc/13/56/31/569135631.db2.gz DTQRJUGJHKHIIR-MRXNPFEDSA-N 0 0 447.601 2.790 50 0 IFAARN CCCNC(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccc(OC)cc1 ZINC000065321366 569136517 /nfs/dbraw/zinc/13/65/17/569136517.db2.gz LKBBEQRFPLYGOK-UHFFFAOYSA-N 0 0 429.546 2.597 50 0 IFAARN O=C(CNC(=O)OCc1ccccc1)N1CC[C@@H](Oc2ncccc2Br)C1 ZINC000238815183 569136523 /nfs/dbraw/zinc/13/65/23/569136523.db2.gz BGZBYJPWSWMNHS-OAHLLOKOSA-N 0 0 434.290 2.750 50 0 IFAARN O=C(Nc1ccc(F)c(N2CCCC2=O)c1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000065499866 569138870 /nfs/dbraw/zinc/13/88/70/569138870.db2.gz QPEVEJFTDQKJPV-IEBWSBKVSA-N 0 0 445.491 2.873 50 0 IFAARN CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000065515292 569139041 /nfs/dbraw/zinc/13/90/41/569139041.db2.gz QGINXHIIZXALIW-ZDUSSCGKSA-N 0 0 428.304 2.880 50 0 IFAARN O=C(NCCS(=O)(=O)c1ccccc1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000065530571 569139175 /nfs/dbraw/zinc/13/91/75/569139175.db2.gz WYTYXMSBSVKHMH-UHFFFAOYSA-N 0 0 439.537 2.717 50 0 IFAARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000065604500 569140074 /nfs/dbraw/zinc/14/00/74/569140074.db2.gz CAKIERMAPFLPAJ-HNNXBMFYSA-N 0 0 426.542 2.942 50 0 IFAARN O=C(c1cc(-c2cccnc2)on1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000240067792 569140566 /nfs/dbraw/zinc/14/05/66/569140566.db2.gz SCCCPFVJSRFYNO-UHFFFAOYSA-N 0 0 431.452 2.810 50 0 IFAARN Cc1nc(-c2ccc(S(=O)(=O)NCC3CCN(c4ncc(F)cn4)CC3)cc2)co1 ZINC000240067906 569140603 /nfs/dbraw/zinc/14/06/03/569140603.db2.gz SDOLDEPMCHSLDU-UHFFFAOYSA-N 0 0 431.493 2.774 50 0 IFAARN NC(=O)[C@H]1CN(CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc2O1 ZINC000037198759 569140711 /nfs/dbraw/zinc/14/07/11/569140711.db2.gz WXZKFZYJZLRXEY-HNAYVOBHSA-N 0 0 436.537 2.755 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000037210481 569140814 /nfs/dbraw/zinc/14/08/14/569140814.db2.gz GKCWUCOXOGNSJQ-IBGZPJMESA-N 0 0 438.977 2.785 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)c1 ZINC000037218961 569140833 /nfs/dbraw/zinc/14/08/33/569140833.db2.gz FZZDSMAQRASNAD-QFIPXVFZSA-N 0 0 427.570 2.630 50 0 IFAARN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CC(n2cc(-c3ccc(OCC)cc3)nn2)C1 ZINC000170593243 569141161 /nfs/dbraw/zinc/14/11/61/569141161.db2.gz MFQQOJHHUODMLN-OAQYLSRUSA-N 0 0 425.533 2.908 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC2(c3ccncc3)CCCCC2)cc1 ZINC000170594589 569141264 /nfs/dbraw/zinc/14/12/64/569141264.db2.gz KECIEFLIRSMHAW-UHFFFAOYSA-N 0 0 443.569 2.971 50 0 IFAARN CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000170596858 569141885 /nfs/dbraw/zinc/14/18/85/569141885.db2.gz MBRLCTOYRQEFIV-RDJZCZTQSA-N 0 0 439.478 2.960 50 0 IFAARN OCc1csc(CNc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)n1 ZINC000170598761 569142447 /nfs/dbraw/zinc/14/24/47/569142447.db2.gz XQVANDQQEJUFST-UHFFFAOYSA-N 0 0 431.587 2.963 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H](OCc2csc(C)n2)C1 ZINC000170599087 569142503 /nfs/dbraw/zinc/14/25/03/569142503.db2.gz ZOACDGPORQIKFI-NQIIRXRSSA-N 0 0 426.542 2.798 50 0 IFAARN CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H](C[S@](C)=O)c1ccccc1)c1cnn(C)c1 ZINC000170600266 569142621 /nfs/dbraw/zinc/14/26/21/569142621.db2.gz FCAVROKCEVKNSG-KSZYLEPESA-N 0 0 434.562 2.564 50 0 IFAARN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000170602471 569143262 /nfs/dbraw/zinc/14/32/62/569143262.db2.gz UWILMXMAWSKSSP-RTBURBONSA-N 0 0 446.527 2.810 50 0 IFAARN O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000170605906 569143876 /nfs/dbraw/zinc/14/38/76/569143876.db2.gz TWEWTOPRBNFUPJ-LJQANCHMSA-N 0 0 434.496 2.628 50 0 IFAARN COc1cccc(C(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1F ZINC000170610483 569144992 /nfs/dbraw/zinc/14/49/92/569144992.db2.gz YNIQFQQSSRPDMG-UHFFFAOYSA-N 0 0 431.468 2.934 50 0 IFAARN COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1CCc2nnc(-c3ccc(O)cc3)n2C1 ZINC000170614615 569146333 /nfs/dbraw/zinc/14/63/33/569146333.db2.gz KYASXBRYNJISTQ-HNNXBMFYSA-N 0 0 438.484 2.555 50 0 IFAARN CCOC1CC(CNC(=O)c2cccc(-c3noc(C4CC4)n3)c2)(N2CCOCC2)C1 ZINC000170614927 569146524 /nfs/dbraw/zinc/14/65/24/569146524.db2.gz XZRPYBFEVWQUQX-UHFFFAOYSA-N 0 0 426.517 2.614 50 0 IFAARN C[C@@H](c1ccccc1)N(c1ccccc1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000170617398 569147368 /nfs/dbraw/zinc/14/73/68/569147368.db2.gz ONKWQRJUDCDTJJ-HNNXBMFYSA-N 0 0 436.493 2.578 50 0 IFAARN COC(=O)c1nc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)sc1-c1ccc(F)cc1 ZINC000170622251 569148026 /nfs/dbraw/zinc/14/80/26/569148026.db2.gz QASBJGXIFAVKFI-UHFFFAOYSA-N 0 0 445.472 2.994 50 0 IFAARN COC(=O)c1nc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)sc1Cc1ccccc1 ZINC000170625104 569148371 /nfs/dbraw/zinc/14/83/71/569148371.db2.gz GXZYBJIAUKMFII-UHFFFAOYSA-N 0 0 441.509 2.778 50 0 IFAARN COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)sc1C(C)C ZINC000170625565 569148470 /nfs/dbraw/zinc/14/84/70/569148470.db2.gz IUIBDAKZLKHTFB-ZDUSSCGKSA-N 0 0 448.476 2.641 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1cccc(C)c1 ZINC000009761583 569149124 /nfs/dbraw/zinc/14/91/24/569149124.db2.gz IEFZSKHTDFSBTM-UHFFFAOYSA-N 0 0 428.466 2.794 50 0 IFAARN CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)S(=O)(=O)c1ccc(Cl)s1 ZINC000009882797 569149803 /nfs/dbraw/zinc/14/98/03/569149803.db2.gz WPDOZVXBUVZZBX-UHFFFAOYSA-N 0 0 447.991 2.700 50 0 IFAARN CCN(C(=O)c1cc(Br)c(Br)s1)[C@H]1CCS(=O)(=O)C1 ZINC000009882800 569149823 /nfs/dbraw/zinc/14/98/23/569149823.db2.gz ARGFMZNWWRQJDV-ZETCQYMHSA-N 0 0 431.171 2.922 50 0 IFAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000071283097 569150662 /nfs/dbraw/zinc/15/06/62/569150662.db2.gz KIUVYIQACJUHDL-JSGCOSHPSA-N 0 0 435.502 2.701 50 0 IFAARN CCCCN(C(=O)c1cccc(NC(C)=O)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009955429 569151185 /nfs/dbraw/zinc/15/11/85/569151185.db2.gz SGXJWEGJOFFCBA-UHFFFAOYSA-N 0 0 449.511 2.572 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000010026267 569151703 /nfs/dbraw/zinc/15/17/03/569151703.db2.gz BXAIMLADVNIBNJ-SFHVURJKSA-N 0 0 446.507 2.930 50 0 IFAARN COc1ccccc1CNC(=O)Cn1nc(-c2cccc(Br)c2)ccc1=O ZINC000010220806 569153043 /nfs/dbraw/zinc/15/30/43/569153043.db2.gz CHDGWZXQLIORIR-UHFFFAOYSA-N 0 0 428.286 2.998 50 0 IFAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000010216526 569153139 /nfs/dbraw/zinc/15/31/39/569153139.db2.gz JGTWCXQWPHSVSV-UHFFFAOYSA-N 0 0 439.324 2.978 50 0 IFAARN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000071853605 569154750 /nfs/dbraw/zinc/15/47/50/569154750.db2.gz AXWXIYBWXZBDNX-UHFFFAOYSA-N 0 0 439.556 2.820 50 0 IFAARN COc1cccc(OC)c1C(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 ZINC000013524710 569155562 /nfs/dbraw/zinc/15/55/62/569155562.db2.gz WWQHBVRVBHELAD-UHFFFAOYSA-N 0 0 437.431 2.756 50 0 IFAARN O=C(Nc1nnc(Cc2cccs2)o1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000013653622 569156380 /nfs/dbraw/zinc/15/63/80/569156380.db2.gz QFOJXILYMVITMV-CQSZACIVSA-N 0 0 432.527 2.761 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@@H]2CCCO2)CC3)cc1OC ZINC000013696665 569156656 /nfs/dbraw/zinc/15/66/56/569156656.db2.gz IRLLEDPSLROUNG-IBGZPJMESA-N 0 0 432.498 2.573 50 0 IFAARN COc1ccc(O[C@@H](C)C(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc1 ZINC000013705728 569156708 /nfs/dbraw/zinc/15/67/08/569156708.db2.gz HFMDSHKZGOIZOU-INIZCTEOSA-N 0 0 433.468 2.762 50 0 IFAARN O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)NCc1ccccc1Cl ZINC000013964130 569157475 /nfs/dbraw/zinc/15/74/75/569157475.db2.gz UWLRSEIURBHBFG-UHFFFAOYSA-N 0 0 440.912 2.638 50 0 IFAARN COc1ccc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)cc1 ZINC000014017761 569157508 /nfs/dbraw/zinc/15/75/08/569157508.db2.gz UCYVLJZDPOTBRS-INIZCTEOSA-N 0 0 442.497 2.785 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)s2)c(C)c1 ZINC000014100915 569157794 /nfs/dbraw/zinc/15/77/94/569157794.db2.gz PZYPZVWSAONHAA-UHFFFAOYSA-N 0 0 428.601 2.936 50 0 IFAARN COc1cc(CC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc(OC)c1OC ZINC000014121644 569157820 /nfs/dbraw/zinc/15/78/20/569157820.db2.gz ZEZICMUMNLWHRX-KBPBESRZSA-N 0 0 435.546 2.959 50 0 IFAARN COc1ccc(NC(=O)[C@H](OC(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2)cc1 ZINC000014172345 569158003 /nfs/dbraw/zinc/15/80/03/569158003.db2.gz IUCGITZAASMIPQ-HXUWFJFHSA-N 0 0 446.525 2.590 50 0 IFAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O ZINC000014197870 569158063 /nfs/dbraw/zinc/15/80/63/569158063.db2.gz JYQZFQMWDNECMO-XMMPIXPASA-N 0 0 434.496 2.693 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F ZINC000014198730 569158095 /nfs/dbraw/zinc/15/80/95/569158095.db2.gz CFTOFXSYPXJCPC-MRXNPFEDSA-N 0 0 444.532 2.671 50 0 IFAARN O=S(=O)(NCc1ccccc1OC(F)F)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014208420 569158223 /nfs/dbraw/zinc/15/82/23/569158223.db2.gz KRWHHVZAJCVFJN-UHFFFAOYSA-N 0 0 446.497 2.551 50 0 IFAARN C[C@H](C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)n1c2ccccc2oc1=O ZINC000014316336 569158537 /nfs/dbraw/zinc/15/85/37/569158537.db2.gz UALUQQBNJWNUOF-CQSZACIVSA-N 0 0 437.452 2.762 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000014524880 569159234 /nfs/dbraw/zinc/15/92/34/569159234.db2.gz CWZNJDGQERWRED-IBGZPJMESA-N 0 0 445.516 2.743 50 0 IFAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)cc2)n1 ZINC000089594294 569159657 /nfs/dbraw/zinc/15/96/57/569159657.db2.gz HTOPMVYBJSMBME-UHFFFAOYSA-N 0 0 442.516 2.775 50 0 IFAARN COc1ccccc1NC(=O)CSc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn21 ZINC000016841546 569163330 /nfs/dbraw/zinc/16/33/30/569163330.db2.gz RUBIUHNDXOLDMQ-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN COc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2cccs2)c(N)n1 ZINC000016842455 569163466 /nfs/dbraw/zinc/16/34/66/569163466.db2.gz RIUNXVGUNBKFCD-UHFFFAOYSA-N 0 0 436.540 2.693 50 0 IFAARN COc1cccc2sc(N(Cc3cccnc3)C(=O)[C@H]3CCCN3S(C)(=O)=O)nc21 ZINC000016847960 569164153 /nfs/dbraw/zinc/16/41/53/569164153.db2.gz SIMOHURLQPPFGZ-OAHLLOKOSA-N 0 0 446.554 2.657 50 0 IFAARN COC(=O)c1c2c(nc3c1c(-c1ccc(OC)cc1)nn3[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000016850674 569164836 /nfs/dbraw/zinc/16/48/36/569164836.db2.gz AOGQNEHVGNYOPN-AWEZNQCLSA-N 0 0 441.509 2.742 50 0 IFAARN O=C(c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2)N1CCC(Cc2ccccc2)CC1 ZINC000016850966 569164845 /nfs/dbraw/zinc/16/48/45/569164845.db2.gz LYINAPKVGCJVAM-LJQANCHMSA-N 0 0 427.570 2.826 50 0 IFAARN COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1OC ZINC000016851178 569164879 /nfs/dbraw/zinc/16/48/79/569164879.db2.gz AXHQCJYHPSSQLC-UHFFFAOYSA-N 0 0 428.470 2.672 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccccc1 ZINC000089823049 569165154 /nfs/dbraw/zinc/16/51/54/569165154.db2.gz FGRRKHQFFNOMPN-UHFFFAOYSA-N 0 0 429.542 2.950 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC000016884535 569165356 /nfs/dbraw/zinc/16/53/56/569165356.db2.gz IYVASHHPLRWOAG-UHFFFAOYSA-N 0 0 437.521 2.978 50 0 IFAARN CC(C)CN(C[C@H](O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000089840141 569165569 /nfs/dbraw/zinc/16/55/69/569165569.db2.gz VWOIMEQOADRASI-IBGZPJMESA-N 0 0 443.562 2.829 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000008912298 569166346 /nfs/dbraw/zinc/16/63/46/569166346.db2.gz NTTAQTHIKROWNL-UHFFFAOYSA-N 0 0 425.510 2.925 50 0 IFAARN O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000089878922 569166470 /nfs/dbraw/zinc/16/64/70/569166470.db2.gz UCESOWYGAHUVNG-INIZCTEOSA-N 0 0 446.429 2.872 50 0 IFAARN C[C@H](CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1nc(-c2ccccc2)no1 ZINC000089901246 569167102 /nfs/dbraw/zinc/16/71/02/569167102.db2.gz WVZJXAVPHGQSLY-CYBMUJFWSA-N 0 0 432.502 2.940 50 0 IFAARN COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3OC)n2)cc1 ZINC000016954179 569167349 /nfs/dbraw/zinc/16/73/49/569167349.db2.gz GPHXGSWPXBLHQK-UHFFFAOYSA-N 0 0 442.859 2.805 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)C(=O)NCCCN1CCO[C@H](c2ccccc2)C1 ZINC000016955254 569167569 /nfs/dbraw/zinc/16/75/69/569167569.db2.gz IESDGGQPGQPUES-FQEVSTJZSA-N 0 0 431.920 2.867 50 0 IFAARN COc1ccc([C@H](CNC(=O)[C@]2(C)CCCN2C(=O)OC(C)(C)C)N2CCOCC2)cc1 ZINC000089919339 569167747 /nfs/dbraw/zinc/16/77/47/569167747.db2.gz QIYOYRQKOMCVEB-RDPSFJRHSA-N 0 0 447.576 2.974 50 0 IFAARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 ZINC000089920247 569167757 /nfs/dbraw/zinc/16/77/57/569167757.db2.gz BXJPPZDPPCJCCF-HDICACEKSA-N 0 0 444.553 2.826 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)Cc3csc(NC(=O)C4CC4)n3)sc2c1 ZINC000016975249 569168690 /nfs/dbraw/zinc/16/86/90/569168690.db2.gz PJVKBSSLLCTGON-UHFFFAOYSA-N 0 0 436.540 2.686 50 0 IFAARN CCCC[C@@H](C(=O)NCc1cccc(NC(=O)c2ccco2)c1)N1CCCS1(=O)=O ZINC000089950249 569168702 /nfs/dbraw/zinc/16/87/02/569168702.db2.gz KWNFJBUESWJKNS-SFHVURJKSA-N 0 0 433.530 2.742 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000089969035 569169360 /nfs/dbraw/zinc/16/93/60/569169360.db2.gz NRNXRCOMKGGRJJ-UTKZUKDTSA-N 0 0 447.601 2.641 50 0 IFAARN CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(=O)n2CCOc2ccccc2Cl)C1 ZINC000089977383 569169472 /nfs/dbraw/zinc/16/94/72/569169472.db2.gz QWIKXACROODNSC-INIZCTEOSA-N 0 0 431.920 2.569 50 0 IFAARN COc1cccc(-c2cc(C(=O)NC3CC3)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)c1 ZINC000016992872 569169681 /nfs/dbraw/zinc/16/96/81/569169681.db2.gz HAYCGNVYOOTRMJ-INIZCTEOSA-N 0 0 440.525 2.667 50 0 IFAARN COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccc(C)cc2)cc1 ZINC000017041831 569171497 /nfs/dbraw/zinc/17/14/97/569171497.db2.gz AILFNWHXTKRATB-UHFFFAOYSA-N 0 0 435.509 2.844 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000017096251 569173163 /nfs/dbraw/zinc/17/31/63/569173163.db2.gz HWEPPTIJYSPZOJ-UHFFFAOYSA-N 0 0 428.963 2.598 50 0 IFAARN CC(C)CCNC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000017113093 569173998 /nfs/dbraw/zinc/17/39/98/569173998.db2.gz PRNVHFWWMJDXMZ-KRWDZBQOSA-N 0 0 426.535 2.681 50 0 IFAARN COc1ccc(CNC(=O)c2cn(C)c3c2[nH]c(=O)n(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000017149024 569174824 /nfs/dbraw/zinc/17/48/24/569174824.db2.gz YIUXFGGDJARFRM-UHFFFAOYSA-N 0 0 438.871 2.610 50 0 IFAARN O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCN(c2cccc(Cl)c2)CC1 ZINC000017149972 569174882 /nfs/dbraw/zinc/17/48/82/569174882.db2.gz QETPKDNRGSKLPY-MRXNPFEDSA-N 0 0 430.961 2.771 50 0 IFAARN O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000017169739 569175264 /nfs/dbraw/zinc/17/52/64/569175264.db2.gz WTXCJYAXYWNEBC-LJQANCHMSA-N 0 0 448.447 2.505 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000017200688 569175977 /nfs/dbraw/zinc/17/59/77/569175977.db2.gz OYIBWMPPRFNCIY-OAQYLSRUSA-N 0 0 437.477 2.748 50 0 IFAARN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 ZINC000000814612 569176279 /nfs/dbraw/zinc/17/62/79/569176279.db2.gz CKDGKTJXIZTQFR-UHFFFAOYSA-N 0 0 432.542 2.729 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1C ZINC000000814622 569176335 /nfs/dbraw/zinc/17/63/35/569176335.db2.gz UXQQSUVBKJQNMM-UHFFFAOYSA-N 0 0 432.498 2.772 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000001077538 569176713 /nfs/dbraw/zinc/17/67/13/569176713.db2.gz TZLBTEYBQWCAFD-UHFFFAOYSA-N 0 0 432.498 2.772 50 0 IFAARN CCO[C@H]1C[C@H](N(C)C(=O)CN2C(=O)COc3cc(Br)ccc32)C1(C)C ZINC000170636651 569178197 /nfs/dbraw/zinc/17/81/97/569178197.db2.gz IDUXWCYYBVWUEC-HOTGVXAUSA-N 0 0 425.323 2.837 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)cc1N1CCCS1(=O)=O ZINC000170636765 569178232 /nfs/dbraw/zinc/17/82/32/569178232.db2.gz XQPVMSXXYVKQIW-IBGZPJMESA-N 0 0 435.452 2.945 50 0 IFAARN O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000170637027 569178316 /nfs/dbraw/zinc/17/83/16/569178316.db2.gz JLQSSKAGTRDQKL-HOTGVXAUSA-N 0 0 425.963 2.692 50 0 IFAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N32)cc(OC)c1OC ZINC000002093788 569179046 /nfs/dbraw/zinc/17/90/46/569179046.db2.gz HDSPLXCEIFWXMZ-VGSWGCGISA-N 0 0 435.480 2.508 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000002093822 569179049 /nfs/dbraw/zinc/17/90/49/569179049.db2.gz TVSCAVKGPVJGIA-AWEZNQCLSA-N 0 0 427.478 2.863 50 0 IFAARN C[C@H](NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000170640642 569181464 /nfs/dbraw/zinc/18/14/64/569181464.db2.gz IKFUBWXGKKFPRJ-DYZYQPBXSA-N 0 0 426.416 2.878 50 0 IFAARN COCCCN1CC(=O)N2[C@H](c3ccccc3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002111121 569182000 /nfs/dbraw/zinc/18/20/00/569182000.db2.gz ORWVEHQFKJGYIK-GBXCKJPGSA-N 0 0 433.508 2.898 50 0 IFAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000002114879 569182343 /nfs/dbraw/zinc/18/23/43/569182343.db2.gz ZTMAKMBMCSMKIG-IBGZPJMESA-N 0 0 425.485 2.811 50 0 IFAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002115863 569182444 /nfs/dbraw/zinc/18/24/44/569182444.db2.gz QEEFTXLJLJSBLO-AABGKKOBSA-N 0 0 437.540 2.930 50 0 IFAARN O=C(N[C@@H](CO)c1ccccc1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000252484278 569186465 /nfs/dbraw/zinc/18/64/65/569186465.db2.gz FTOCKSWYRGPOOT-DYVFJYSZSA-N 0 0 443.301 2.528 50 0 IFAARN CCCCOC(=O)Cn1c(=O)c2nc3cc(-c4ccccc4Cl)oc3nc2n(C)c1=O ZINC000252484053 569186482 /nfs/dbraw/zinc/18/64/82/569186482.db2.gz FMZJHTZGPUOSJH-UHFFFAOYSA-N 0 0 442.859 2.900 50 0 IFAARN CC[C@H](C)[C@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000252484646 569186554 /nfs/dbraw/zinc/18/65/54/569186554.db2.gz GCNJGALYGGLTRY-OWQGQXMQSA-N 0 0 439.965 2.700 50 0 IFAARN COc1ccc(N2C(=O)N[C@H](CC(=O)NCc3nc4ccccc4n3C(C)C)C2=O)cc1 ZINC000252486238 569186573 /nfs/dbraw/zinc/18/65/73/569186573.db2.gz HJZAHJCHFSFNJB-GOSISDBHSA-N 0 0 435.484 2.962 50 0 IFAARN COCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2OC)C1=O ZINC000002153973 569187472 /nfs/dbraw/zinc/18/74/72/569187472.db2.gz FBGWZWQCXNNUPZ-CVDCTZTESA-N 0 0 449.507 2.516 50 0 IFAARN COCCN1CC(=O)N2[C@H](c3cccc(OC)c3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002153971 569187480 /nfs/dbraw/zinc/18/74/80/569187480.db2.gz FBGWZWQCXNNUPZ-WMZHIEFXSA-N 0 0 449.507 2.516 50 0 IFAARN Cc1ncc(-c2nc(-c3ccsc3)no2)c(NCCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000252501068 569188236 /nfs/dbraw/zinc/18/82/36/569188236.db2.gz UCBSUOIAUWEYQZ-UHFFFAOYSA-N 0 0 442.526 2.866 50 0 IFAARN O=C(CCCNC(=O)c1cnccn1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252508158 569188323 /nfs/dbraw/zinc/18/83/23/569188323.db2.gz XESQVFRIQGMTRT-HXUWFJFHSA-N 0 0 428.496 2.963 50 0 IFAARN CSCC[C@H](CO)NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 ZINC000208193728 569189453 /nfs/dbraw/zinc/18/94/53/569189453.db2.gz YDTSSYCTIGBFBS-CQSZACIVSA-N 0 0 435.542 2.814 50 0 IFAARN COc1ccc2c(ccn2CCNC(=O)CC[C@H]2NC(=O)N(Cc3ccccc3)C2=O)c1 ZINC000252523252 569189643 /nfs/dbraw/zinc/18/96/43/569189643.db2.gz CESBEXCMWNVADQ-HXUWFJFHSA-N 0 0 434.496 2.871 50 0 IFAARN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000252539451 569190223 /nfs/dbraw/zinc/19/02/23/569190223.db2.gz NZXOREWKYIFEQI-CJTFWIGWSA-N 0 0 440.632 2.879 50 0 IFAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000252549074 569190934 /nfs/dbraw/zinc/19/09/34/569190934.db2.gz QRVYHFSDAUXEID-JNKLARPZSA-N 0 0 432.524 2.559 50 0 IFAARN Cc1ccccc1-n1c(CC2CCN(C(=O)c3cccc4c3OCCO4)CC2)n[nH]c1=O ZINC000252552559 569191014 /nfs/dbraw/zinc/19/10/14/569191014.db2.gz UWIISPAJHXHZFF-UHFFFAOYSA-N 0 0 434.496 2.735 50 0 IFAARN Cc1cc(F)ccc1S(=O)(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000252552883 569191090 /nfs/dbraw/zinc/19/10/90/569191090.db2.gz VDWUPCCVBDWAOX-UHFFFAOYSA-N 0 0 448.495 2.791 50 0 IFAARN CCOCCOc1nc(-c2ccc(OC)cc2)n(-c2cccc(NC(=O)COC)c2)n1 ZINC000037385382 569192391 /nfs/dbraw/zinc/19/23/91/569192391.db2.gz OYXWRYGTNNZXBW-UHFFFAOYSA-N 0 0 426.473 2.943 50 0 IFAARN Cc1ccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)N3CCOCC3)c2=O)cc1Cl ZINC000037399441 569194371 /nfs/dbraw/zinc/19/43/71/569194371.db2.gz MKCOQUAJPGJUON-UHFFFAOYSA-N 0 0 448.306 2.626 50 0 IFAARN CC[C@H](C(=O)NCCOC)n1c2cc(Cl)ccc2c(=O)n(-c2cccc(C)c2)c1=O ZINC000037403443 569194928 /nfs/dbraw/zinc/19/49/28/569194928.db2.gz FHEBBEQXYRFVRX-GOSISDBHSA-N 0 0 429.904 2.828 50 0 IFAARN CCNC(=O)N(CCOC)Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037401530 569195134 /nfs/dbraw/zinc/19/51/34/569195134.db2.gz HWSJJFZLVRRPRK-UHFFFAOYSA-N 0 0 449.529 2.591 50 0 IFAARN CC[C@@H](C(=O)NCCOC)n1c2cc(Cl)ccc2c(=O)n(-c2cccc(OC)c2)c1=O ZINC000037403314 569195237 /nfs/dbraw/zinc/19/52/37/569195237.db2.gz DFBPTZMWENHJAN-SFHVURJKSA-N 0 0 445.903 2.528 50 0 IFAARN CC[C@H](C(=O)NCCOC)n1c2cc(Cl)ccc2c(=O)n(-c2cccc(OC)c2)c1=O ZINC000037403317 569195275 /nfs/dbraw/zinc/19/52/75/569195275.db2.gz DFBPTZMWENHJAN-GOSISDBHSA-N 0 0 445.903 2.528 50 0 IFAARN CCOC(=O)C1CCN(C(=O)Cn2c(C)cs/c2=N\C(=O)c2ccccc2F)CC1 ZINC000037428446 569196012 /nfs/dbraw/zinc/19/60/12/569196012.db2.gz NTDNQDCGCDNKKZ-LNVKXUELSA-N 0 0 433.505 2.540 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@H](C)[C@H]3C)C2)cc(C(=O)OC)c1 ZINC000037458320 569197260 /nfs/dbraw/zinc/19/72/60/569197260.db2.gz KPXKEYGMVTYBJQ-FCZZECIWSA-N 0 0 430.501 2.872 50 0 IFAARN CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C1 ZINC000037458150 569197272 /nfs/dbraw/zinc/19/72/72/569197272.db2.gz WHXLNKMAIAOYFP-IRXDYDNUSA-N 0 0 437.562 2.914 50 0 IFAARN Cc1ccccc1CN1CCN(C(=O)CN(C)CC(=O)Nc2ccccc2Cl)CC1 ZINC000007728282 569198659 /nfs/dbraw/zinc/19/86/59/569198659.db2.gz SCHZQPYOZIGKJH-UHFFFAOYSA-N 0 0 428.964 2.863 50 0 IFAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000007735807 569199315 /nfs/dbraw/zinc/19/93/15/569199315.db2.gz OHKWFVJTRYRQCJ-FQEVSTJZSA-N 0 0 425.485 2.507 50 0 IFAARN COc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)N3CCN(C(C)=O)CC3)cc2)cc1 ZINC000037557738 569200708 /nfs/dbraw/zinc/20/07/08/569200708.db2.gz OTDWALGDRRARHC-UHFFFAOYSA-N 0 0 449.551 2.872 50 0 IFAARN COC(=O)c1ccc(Cn2cnc3c2c(=O)n(CC(C)C)c(=O)n3-c2ccccc2)cc1 ZINC000037559242 569200807 /nfs/dbraw/zinc/20/08/07/569200807.db2.gz UZURDIPQIKJKBY-UHFFFAOYSA-N 0 0 432.480 2.840 50 0 IFAARN CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(CCC(C)C)c(=O)n2-c1ccc(F)cc1F ZINC000037559353 569200900 /nfs/dbraw/zinc/20/09/00/569200900.db2.gz HIXNXPNKYGCUPX-ZDUSSCGKSA-N 0 0 434.443 2.797 50 0 IFAARN O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)C2CCCC2)CC1)c1ccccc1F ZINC000037574136 569201208 /nfs/dbraw/zinc/20/12/08/569201208.db2.gz DWJHFOGFKFEHMN-UHFFFAOYSA-N 0 0 439.491 2.779 50 0 IFAARN CCCNC(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1C)C2=O ZINC000037577960 569201538 /nfs/dbraw/zinc/20/15/38/569201538.db2.gz XQPGBRWMIHDNKQ-UHFFFAOYSA-N 0 0 439.560 2.616 50 0 IFAARN CC(=O)N[C@@H](CC(=O)NCc1ccnc(-n2ccnc2)c1)c1ccc(Br)cc1 ZINC000195723457 569205609 /nfs/dbraw/zinc/20/56/09/569205609.db2.gz YETYQIWNDDLANB-SFHVURJKSA-N 0 0 442.317 2.914 50 0 IFAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252666085 569209596 /nfs/dbraw/zinc/20/95/96/569209596.db2.gz ALYDLEWQXZEAOS-IBGZPJMESA-N 0 0 426.444 2.686 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252675831 569210276 /nfs/dbraw/zinc/21/02/76/569210276.db2.gz VFLXYRPQTHFWTK-FQEVSTJZSA-N 0 0 438.505 2.708 50 0 IFAARN COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@H]4[C@H](C)C(=O)C[C@H]2c2ccco2)c1 ZINC000252694976 569211044 /nfs/dbraw/zinc/21/10/44/569211044.db2.gz SOLPERFSTZHDQZ-DUYFGZQSSA-N 0 0 448.475 2.728 50 0 IFAARN CC(=O)Oc1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCOCC2)cc1 ZINC000002979069 569213035 /nfs/dbraw/zinc/21/30/35/569213035.db2.gz SCMXFKMXXUZNNV-ZHZULCJRSA-N 0 0 428.872 2.895 50 0 IFAARN COc1ccc(OC)c(-c2nc3c([nH]c(=O)n3-c3ccc(Cl)cc3)c(C(N)=O)n2)c1 ZINC000009407961 569215200 /nfs/dbraw/zinc/21/52/00/569215200.db2.gz MCLDXXMXIHSTSK-UHFFFAOYSA-N 0 0 425.832 2.545 50 0 IFAARN CCOC(=O)[C@H]1[C@H]2c3ccccc3C=NN2[C@H](C(=O)OCC)[C@@H]2c3ccccc3C=NN12 ZINC000013660338 569256770 /nfs/dbraw/zinc/25/67/70/569256770.db2.gz UEGOQIIYBYDIQE-COPRSSIGSA-N 0 0 432.480 2.645 50 0 IFAARN CCOC(=O)[C@@H]1N[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000016034286 569256870 /nfs/dbraw/zinc/25/68/70/569256870.db2.gz VNNZLGIBHWIYBJ-BSDSXHPESA-N 0 0 443.297 2.831 50 0 IFAARN Cn1c2nc(NCc3ccccc3)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O ZINC000019893175 569257071 /nfs/dbraw/zinc/25/70/71/569257071.db2.gz JOONCXWWAQUMLZ-UHFFFAOYSA-N 0 0 440.301 2.846 50 0 IFAARN COC(=O)[C@H](Cc1nc2cc(C)c(C)cc2[nH]c1=O)C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000033547770 569257664 /nfs/dbraw/zinc/25/76/64/569257664.db2.gz VHTQUHROYVLDPE-OAHLLOKOSA-N 0 0 441.871 2.733 50 0 IFAARN CCC(=O)N1CC[C@@](CC)(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000065292015 569263709 /nfs/dbraw/zinc/26/37/09/569263709.db2.gz RNWPEKJVLFGBKV-LJQANCHMSA-N 0 0 447.523 2.803 50 0 IFAARN COC(=O)c1nc(NC(=O)CCN2C=Cc3cc(OC)c(OC)cc3CC2=O)sc1C ZINC000253410260 569265772 /nfs/dbraw/zinc/26/57/72/569265772.db2.gz NBSZTELXBDLLFH-UHFFFAOYSA-N 0 0 445.497 2.640 50 0 IFAARN COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 ZINC000253417917 569266539 /nfs/dbraw/zinc/26/65/39/569266539.db2.gz UCVYPYWNSZHNNI-HNNXBMFYSA-N 0 0 435.521 2.936 50 0 IFAARN COc1ccccc1C(=O)Cn1cnc(CC(C)C)c(I)c1=O ZINC000253417791 569266595 /nfs/dbraw/zinc/26/65/95/569266595.db2.gz ICXPKHSAXYOGDR-UHFFFAOYSA-N 0 0 426.254 2.938 50 0 IFAARN COC[C@@]1(CNC(=O)[C@H](C)NC(=O)OCc2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC000253423174 569267030 /nfs/dbraw/zinc/26/70/30/569267030.db2.gz UFSBZVIRXCNBFR-SBUREZEXSA-N 0 0 449.548 2.834 50 0 IFAARN CS(=O)(=O)c1cc(S(=O)(=O)NCc2ccnc(OC3CCCC3)c2)ccc1Cl ZINC000253426960 569267353 /nfs/dbraw/zinc/26/73/53/569267353.db2.gz CGHNYLFOILCJNL-UHFFFAOYSA-N 0 0 444.962 2.938 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)NC1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000253433153 569269322 /nfs/dbraw/zinc/26/93/22/569269322.db2.gz SRZAXRNLYUEWLQ-PWIZWCRZSA-N 0 0 428.552 2.616 50 0 IFAARN CCOC(=O)c1c(N)n(CCNC(=O)c2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002324786 569274320 /nfs/dbraw/zinc/27/43/20/569274320.db2.gz ZLRRXGMLGBTZMR-UHFFFAOYSA-N 0 0 433.468 2.782 50 0 IFAARN O=C(NCCc1csc(-c2ccc(F)cc2)n1)C1CN(c2cc(-n3cccn3)ncn2)C1 ZINC000253473769 569282896 /nfs/dbraw/zinc/28/28/96/569282896.db2.gz YIYCZKWZWJDTIQ-UHFFFAOYSA-N 0 0 449.515 2.720 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)c2cnc3ccc(S(=O)(=O)N4CCOCC4)cc3c2O)[C@H]1C ZINC000253531023 569283887 /nfs/dbraw/zinc/28/38/87/569283887.db2.gz LJHFIKNUNWDBPX-VCBZYWHSSA-N 0 0 447.557 2.516 50 0 IFAARN COCc1nc(NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)n[nH]1 ZINC000253413205 569289097 /nfs/dbraw/zinc/28/90/97/569289097.db2.gz UDBVDRXWQZODHV-HNNXBMFYSA-N 0 0 428.493 2.517 50 0 IFAARN CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 ZINC000253414634 569289136 /nfs/dbraw/zinc/28/91/36/569289136.db2.gz YAHFNFQPAGKEMR-OALUTQOASA-N 0 0 437.496 2.971 50 0 IFAARN Cc1ccccc1OCCSc1ncn(-c2nc(N(C)C)nc(N3CCCC3)n2)n1 ZINC000027738923 569295664 /nfs/dbraw/zinc/29/56/64/569295664.db2.gz XZTOVXMFQCZEKB-UHFFFAOYSA-N 0 0 426.550 2.598 50 0 IFAARN O=C([C@H]1[C@@H](c2ccc3c(c2)OCO3)NC(=O)N[C@]1(O)c1ccc(F)cc1)C(F)(F)F ZINC000027754466 569296625 /nfs/dbraw/zinc/29/66/25/569296625.db2.gz HBVOHZHYHIVVHP-RKVPGOIHSA-N 0 0 426.322 2.501 50 0 IFAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(OCC(N)=O)cc1)N(C[C@H]1CCCO1)C3=O ZINC000002440031 569304018 /nfs/dbraw/zinc/30/40/18/569304018.db2.gz CZFMXNQNNJKXRZ-VGSWGCGISA-N 0 0 448.475 2.690 50 0 IFAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(OCC(N)=O)cc1)N(C[C@@H]1CCCO1)C3=O ZINC000002440034 569304059 /nfs/dbraw/zinc/30/40/59/569304059.db2.gz CZFMXNQNNJKXRZ-JTSKRJEESA-N 0 0 448.475 2.690 50 0 IFAARN Cc1ccc([C@@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1C ZINC000012988118 569305978 /nfs/dbraw/zinc/30/59/78/569305978.db2.gz IQGLOYLHZDAIFT-NRFANRHFSA-N 0 0 428.492 2.768 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccccc1 ZINC000013040183 569307972 /nfs/dbraw/zinc/30/79/72/569307972.db2.gz TZOYJJLFKVMPTA-UHFFFAOYSA-N 0 0 443.447 2.530 50 0 IFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(C)cc2)c(=O)[nH]c1=O ZINC000013057392 569308429 /nfs/dbraw/zinc/30/84/29/569308429.db2.gz KXKLRDIPAFMZBI-UHFFFAOYSA-N 0 0 443.548 2.635 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000013097276 569309700 /nfs/dbraw/zinc/30/97/00/569309700.db2.gz IASTUPZTSIEAFZ-UHFFFAOYSA-N 0 0 441.475 2.959 50 0 IFAARN CCc1cccc(-n2nnnc2N2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)c1 ZINC000013349703 569313181 /nfs/dbraw/zinc/31/31/81/569313181.db2.gz RNEZELMMSMXHDX-UHFFFAOYSA-N 0 0 437.504 2.596 50 0 IFAARN COc1cc(CN2CCN(Cc3c(C)nc4sccn34)C[C@@H]2CCO)cc(OC)c1 ZINC000019223849 569316598 /nfs/dbraw/zinc/31/65/98/569316598.db2.gz WZUWOICHJOJLMH-SFHVURJKSA-N 0 0 430.574 2.790 50 0 IFAARN COC(=O)Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000328589948 569316857 /nfs/dbraw/zinc/31/68/57/569316857.db2.gz WUOLGXRQCJODAG-GASCZTMLSA-N 0 0 434.514 2.914 50 0 IFAARN COc1cccnc1CC(=O)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 ZINC000328591290 569316945 /nfs/dbraw/zinc/31/69/45/569316945.db2.gz NFPZREWHLQUOIO-UHFFFAOYSA-N 0 0 442.317 2.620 50 0 IFAARN Cc1nn(-c2ccc(C(=O)N3CCOC[C@@H]3c3nc[nH]n3)cc2)c(C)c1Br ZINC000328591631 569317088 /nfs/dbraw/zinc/31/70/88/569317088.db2.gz BWESZSJQZUBERP-OAHLLOKOSA-N 0 0 431.294 2.583 50 0 IFAARN O=C(COc1ccc(I)cc1)Nc1cc(Br)c[nH]c1=O ZINC000078702719 569318321 /nfs/dbraw/zinc/31/83/21/569318321.db2.gz YOCRZZIUSXLFML-UHFFFAOYSA-N 0 0 449.042 2.760 50 0 IFAARN COC(=O)c1cccn1C1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC000078878190 569319857 /nfs/dbraw/zinc/31/98/57/569319857.db2.gz CJIBVZQIPOQMBF-UHFFFAOYSA-N 0 0 430.892 2.935 50 0 IFAARN CCOC(=O)[C@](C)(Cc1ccccc1)NC(=O)CCNC(=O)N(C)Cc1ccccc1 ZINC000078878612 569320029 /nfs/dbraw/zinc/32/00/29/569320029.db2.gz QPEOHKBPOKPULA-DEOSSOPVSA-N 0 0 425.529 2.899 50 0 IFAARN CC[C@](C)(CC(=O)OC)NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1 ZINC000079001318 569321877 /nfs/dbraw/zinc/32/18/77/569321877.db2.gz XPLMHZWGWUPMHQ-OAQYLSRUSA-N 0 0 436.530 2.627 50 0 IFAARN C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CCN([C@@H](C)CO)CC1 ZINC000079016395 569322128 /nfs/dbraw/zinc/32/21/28/569322128.db2.gz PEVZOJZDZCOPIT-NWDGAFQWSA-N 0 0 449.187 2.537 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](c4nnc[nH]4)C3)cc2)cc1 ZINC000079019820 569322325 /nfs/dbraw/zinc/32/23/25/569322325.db2.gz KGRPLMNRKARYAN-MRXNPFEDSA-N 0 0 441.513 2.634 50 0 IFAARN Cc1cc(OC(C)C)ccc1NC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000079023616 569322706 /nfs/dbraw/zinc/32/27/06/569322706.db2.gz AHHSCQYATGHWAT-UHFFFAOYSA-N 0 0 435.475 2.657 50 0 IFAARN CCOc1ccccc1N1C(=O)C(=O)N(Cc2cn(-c3ccc(Cl)cc3)nn2)C1=O ZINC000079058357 569323780 /nfs/dbraw/zinc/32/37/80/569323780.db2.gz JCRRWPITAREHSG-UHFFFAOYSA-N 0 0 425.832 2.815 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc1cc[nH]n1 ZINC000079060804 569323874 /nfs/dbraw/zinc/32/38/74/569323874.db2.gz PUTAVHKGOTZWHH-LBPRGKRZSA-N 0 0 445.339 2.513 50 0 IFAARN CC(=O)N1CCc2ccc(S(=O)(=O)NCCc3nc(-c4ccncc4)cs3)cc21 ZINC000079062356 569324120 /nfs/dbraw/zinc/32/41/20/569324120.db2.gz AZWWZSXINJBDHD-UHFFFAOYSA-N 0 0 428.539 2.635 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)C[C@@H]2C(=O)Nc2cc(OC)ccc2OC)c1 ZINC000079067345 569324277 /nfs/dbraw/zinc/32/42/77/569324277.db2.gz HRAQNMAZLYFQLT-CALCHBBNSA-N 0 0 442.468 2.894 50 0 IFAARN COc1ccc(C[C@@H](CO)CNC(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1O ZINC000079076256 569324728 /nfs/dbraw/zinc/32/47/28/569324728.db2.gz WTHCCQFLARPOFU-FUHWJXTLSA-N 0 0 442.556 2.784 50 0 IFAARN COCCc1noc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)n1 ZINC000079102706 569325542 /nfs/dbraw/zinc/32/55/42/569325542.db2.gz XEWAWSINSDHEGD-UHFFFAOYSA-N 0 0 444.513 2.640 50 0 IFAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000079189310 569327953 /nfs/dbraw/zinc/32/79/53/569327953.db2.gz VVEAUEIOLRLSJI-RXVVDRJESA-N 0 0 447.399 2.819 50 0 IFAARN O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1ccc2ccc(Br)cc21 ZINC000079476981 569330730 /nfs/dbraw/zinc/33/07/30/569330730.db2.gz GOKPNMDJSMQTMQ-UHFFFAOYSA-N 0 0 432.318 2.839 50 0 IFAARN CCc1cccc2c(C=C3NC(=S)N(CC)C3=O)cn(CC(=O)N3CCOCC3)c21 ZINC000020058665 569333056 /nfs/dbraw/zinc/33/30/56/569333056.db2.gz GJPNCECBKLUZFL-PDGQHHTCSA-N 0 0 426.542 2.551 50 0 IFAARN CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)NCCOC)cc1 ZINC000020069153 569333104 /nfs/dbraw/zinc/33/31/04/569333104.db2.gz QQOHRMSEXPYEHP-OALUTQOASA-N 0 0 439.541 2.866 50 0 IFAARN C[C@@H](c1ccccc1)N1C(=O)N[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C1=O ZINC000020069862 569333267 /nfs/dbraw/zinc/33/32/67/569333267.db2.gz NEXVXENKHKWIIE-SJCJKPOMSA-N 0 0 427.404 2.537 50 0 IFAARN O=C(CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(F)cc1F ZINC000020103509 569334138 /nfs/dbraw/zinc/33/41/38/569334138.db2.gz IKYCCTRWYGQDJM-UHFFFAOYSA-N 0 0 446.479 2.760 50 0 IFAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(C)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000020114235 569334739 /nfs/dbraw/zinc/33/47/39/569334739.db2.gz BIUZVXGBENPFAA-VXKWHMMOSA-N 0 0 441.503 2.527 50 0 IFAARN Cn1c2nnc(CCCC(=O)NCCc3ccc(Cl)cc3)n2c2ccsc2c1=O ZINC000020131620 569335233 /nfs/dbraw/zinc/33/52/33/569335233.db2.gz SAKMEILJHRASBW-UHFFFAOYSA-N 0 0 429.933 2.978 50 0 IFAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=S)N1CCN(c2ncccn2)CC1 ZINC000020131667 569335455 /nfs/dbraw/zinc/33/54/55/569335455.db2.gz YRHCGLDQXCJBGR-UHFFFAOYSA-N 0 0 440.529 2.662 50 0 IFAARN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc43)CC2)c1 ZINC000020152626 569353430 /nfs/dbraw/zinc/35/34/30/569353430.db2.gz QRYPXABFOKCMQP-UHFFFAOYSA-N 0 0 432.527 2.984 50 0 IFAARN COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCc3ccccc3)c2=O)cc1 ZINC000020152655 569353407 /nfs/dbraw/zinc/35/34/07/569353407.db2.gz OEKLEFMYIRWJTM-UHFFFAOYSA-N 0 0 429.476 2.520 50 0 IFAARN COc1ccc(C2(C(=O)NCCn3cc(-c4nc(-c5cccs5)no4)nn3)CC2)cc1 ZINC000390827962 569353921 /nfs/dbraw/zinc/35/39/21/569353921.db2.gz MNMRDKSGQIRNOO-UHFFFAOYSA-N 0 0 436.497 2.913 50 0 IFAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390829474 569354208 /nfs/dbraw/zinc/35/42/08/569354208.db2.gz DZNSNAQZYXDXMY-XOBRGWDASA-N 0 0 435.473 2.710 50 0 IFAARN CN1c2ccccc2N(C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)S1(=O)=O ZINC000390830943 569354289 /nfs/dbraw/zinc/35/42/89/569354289.db2.gz OLTQFWOVSCDCTO-UHFFFAOYSA-N 0 0 440.447 2.906 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccccc3)CC2)cc1F ZINC000390831742 569354421 /nfs/dbraw/zinc/35/44/21/569354421.db2.gz UMJGVZKXDXUGSR-UHFFFAOYSA-N 0 0 427.519 2.602 50 0 IFAARN COc1ccc(C(=O)Nc2cc3c(ncnc3N3C[C@@H](C)O[C@@H](C)C3)[nH]c2=O)cc1OC ZINC000390834827 569354567 /nfs/dbraw/zinc/35/45/67/569354567.db2.gz FXBZQUSHUJWAPN-BETUJISGSA-N 0 0 439.472 2.614 50 0 IFAARN O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCCN1CCOCC1 ZINC000020180685 569355132 /nfs/dbraw/zinc/35/51/32/569355132.db2.gz FXWKNALCZXIVAE-RCCKNPSSSA-N 0 0 441.915 2.555 50 0 IFAARN COC(=O)CCNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2 ZINC000094993084 569355757 /nfs/dbraw/zinc/35/57/57/569355757.db2.gz CODRYOFWHMWTFX-UHFFFAOYSA-N 0 0 443.496 2.834 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214029 569356418 /nfs/dbraw/zinc/35/64/18/569356418.db2.gz QQJDQGZNEPRWQL-HNAYVOBHSA-N 0 0 449.935 2.786 50 0 IFAARN COc1cccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)c1 ZINC000020231825 569357103 /nfs/dbraw/zinc/35/71/03/569357103.db2.gz OWCPZMWIUHLLFA-NRFANRHFSA-N 0 0 445.541 2.546 50 0 IFAARN COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)cc1 ZINC000020231833 569357154 /nfs/dbraw/zinc/35/71/54/569357154.db2.gz PRYWHEBJBZAVQF-NRFANRHFSA-N 0 0 445.541 2.546 50 0 IFAARN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NCCN1CCCC[C@@H]1C ZINC000020241868 569358200 /nfs/dbraw/zinc/35/82/00/569358200.db2.gz KJOKPSXTLNKLPY-KRWDZBQOSA-N 0 0 433.574 2.864 50 0 IFAARN CCOc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281376 569358731 /nfs/dbraw/zinc/35/87/31/569358731.db2.gz CFGBVGWULAGGRJ-HNNXBMFYSA-N 0 0 432.527 2.882 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281408 569358784 /nfs/dbraw/zinc/35/87/84/569358784.db2.gz XIXYMMHAJJTPLN-GUYCJALGSA-N 0 0 428.539 2.822 50 0 IFAARN O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1-c1ccc(Br)cc1 ZINC000020323453 569360401 /nfs/dbraw/zinc/36/04/01/569360401.db2.gz SERNOVFFGYVYMA-UHFFFAOYSA-N 0 0 427.302 2.615 50 0 IFAARN Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3cccc(Cl)c3)c(=O)n(C)c2n1 ZINC000020345152 569361065 /nfs/dbraw/zinc/36/10/65/569361065.db2.gz OOGKDEQMRXSNEY-UHFFFAOYSA-N 0 0 426.904 2.731 50 0 IFAARN C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000095347392 569361541 /nfs/dbraw/zinc/36/15/41/569361541.db2.gz BYKKGBNZQFIPFJ-INIZCTEOSA-N 0 0 435.553 2.788 50 0 IFAARN Cc1cc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000095350296 569361746 /nfs/dbraw/zinc/36/17/46/569361746.db2.gz LVYUUNDQJAITQM-SJORKVTESA-N 0 0 446.529 2.691 50 0 IFAARN CC(C)[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1cccnc1 ZINC000080332759 569362392 /nfs/dbraw/zinc/36/23/92/569362392.db2.gz HWRALHYKBOMOHS-HXUWFJFHSA-N 0 0 429.952 2.908 50 0 IFAARN CSc1cccc(NC(=O)[C@H](NC(=O)N2CCN(c3ncccn3)CC2)C(C)C)c1 ZINC000080332039 569362395 /nfs/dbraw/zinc/36/23/95/569362395.db2.gz UCAGHLIQEKQZGP-GOSISDBHSA-N 0 0 428.562 2.693 50 0 IFAARN C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NC[C@H]1CCCO1 ZINC000080332151 569362413 /nfs/dbraw/zinc/36/24/13/569362413.db2.gz UMNGYEDDZXPBOI-UKRRQHHQSA-N 0 0 429.348 2.509 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CC1 ZINC000095392682 569363428 /nfs/dbraw/zinc/36/34/28/569363428.db2.gz DHSGMPNDCBZQGU-UHFFFAOYSA-N 0 0 427.448 2.894 50 0 IFAARN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)c1 ZINC000095399523 569363727 /nfs/dbraw/zinc/36/37/27/569363727.db2.gz OJBZUOMBHSYDSV-NRFANRHFSA-N 0 0 431.558 2.975 50 0 IFAARN CCC(CC)[C@@H](C(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1)N1CCOCC1 ZINC000095401837 569364073 /nfs/dbraw/zinc/36/40/73/569364073.db2.gz KPLPXUXJMCIJLL-QFIPXVFZSA-N 0 0 443.548 2.606 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N[C@H](C)CCc4ccccc4)C3)sc2n1 ZINC000020416627 569364599 /nfs/dbraw/zinc/36/45/99/569364599.db2.gz OSSLOEGNKDBOMN-CRAIPNDOSA-N 0 0 425.558 2.813 50 0 IFAARN C[C@H](Oc1c(I)cc(Cl)c2cccnc21)C(=O)N1CC[C@@H](O)C1 ZINC000095405852 569364660 /nfs/dbraw/zinc/36/46/60/569364660.db2.gz DNPQZPIFYFJXFG-VHSXEESVSA-N 0 0 446.672 2.853 50 0 IFAARN CCN1CCN(C(=O)Cn2ncc3c(C)n(Cc4ccc(Cl)cc4)c(C)c3c2=O)CC1 ZINC000020417198 569364915 /nfs/dbraw/zinc/36/49/15/569364915.db2.gz UDNUHRZPDNXOCC-UHFFFAOYSA-N 0 0 441.963 2.681 50 0 IFAARN Cc1c2cnn(CC(=O)NC[C@H]3CCCO3)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000020417696 569365047 /nfs/dbraw/zinc/36/50/47/569365047.db2.gz LYAHSVHMFUTRDU-QGZVFWFLSA-N 0 0 428.920 2.812 50 0 IFAARN O=C(CN1CCN(C(=O)c2cc3ccccc3oc2=O)CC1)Nc1ccc(Cl)cc1 ZINC000095427600 569366100 /nfs/dbraw/zinc/36/61/00/569366100.db2.gz DUDMGUFEXVJUKZ-UHFFFAOYSA-N 0 0 425.872 2.843 50 0 IFAARN CN(C(=O)c1ccc(=O)n(-c2ccccc2F)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095451648 569367857 /nfs/dbraw/zinc/36/78/57/569367857.db2.gz IWWKFSYTERYNEM-UHFFFAOYSA-N 0 0 430.480 2.843 50 0 IFAARN Cc1ccc(NC(=O)c2nn(-c3ccccc3)cc2CCCO)cc1NS(C)(=O)=O ZINC000095451466 569367871 /nfs/dbraw/zinc/36/78/71/569367871.db2.gz UIHGJZLQVCCIPU-UHFFFAOYSA-N 0 0 428.514 2.729 50 0 IFAARN COc1ccc(OC)c(CNS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)c1 ZINC000095455470 569368548 /nfs/dbraw/zinc/36/85/48/569368548.db2.gz SRTXINLTTFFUKR-UHFFFAOYSA-N 0 0 440.587 2.949 50 0 IFAARN COC(=O)C1CCC(NC(=O)c2cc(Br)cn2C(C)C)(C(=O)OC)CC1 ZINC000095455878 569368662 /nfs/dbraw/zinc/36/86/62/569368662.db2.gz NNOGUMOBYTWYJP-UHFFFAOYSA-N 0 0 429.311 2.836 50 0 IFAARN O=C(COC(=O)c1ccccc1NCCO)N=c1sccn1Cc1ccccc1Cl ZINC000254478130 569369506 /nfs/dbraw/zinc/36/95/06/569369506.db2.gz MPAAQYAXTSJNKJ-UHFFFAOYSA-N 0 0 445.928 2.940 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)NCc2nccn2CC(C)C)c(Br)c1 ZINC000095461768 569369875 /nfs/dbraw/zinc/36/98/75/569369875.db2.gz NOYBLCJYLNOQKH-UHFFFAOYSA-N 0 0 444.351 2.957 50 0 IFAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cncnc1-c1ccccc1 ZINC000095462465 569370103 /nfs/dbraw/zinc/37/01/03/569370103.db2.gz ISJWYSYDGXRSII-UHFFFAOYSA-N 0 0 442.472 2.556 50 0 IFAARN COc1cccc([C@@H]2[C@@H](C(=O)N[C@@H](C)C(=O)NCc3ccccc3)CC(=O)N2C2CC2)c1 ZINC000095463667 569370238 /nfs/dbraw/zinc/37/02/38/569370238.db2.gz OOKYKCHLJIJJKX-JFJYTDJESA-N 0 0 435.524 2.568 50 0 IFAARN CC1(C)C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc43)C2)CCO1 ZINC000095473247 569372363 /nfs/dbraw/zinc/37/23/63/569372363.db2.gz KRBCPYPKTBOXHA-YPMHNXCESA-N 0 0 435.322 2.752 50 0 IFAARN COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1CN1CCc2ccccc2C1 ZINC000095477581 569373366 /nfs/dbraw/zinc/37/33/66/569373366.db2.gz RFAVMSYZWKSTEW-UHFFFAOYSA-N 0 0 447.535 2.740 50 0 IFAARN COc1ccc(CCc2nnc(NC(=O)c3cc(=O)n(C)c4ccccc34)[nH]2)cc1OC ZINC000095479492 569373812 /nfs/dbraw/zinc/37/38/12/569373812.db2.gz JKDUZFCKPGKUAP-UHFFFAOYSA-N 0 0 433.468 2.711 50 0 IFAARN COc1ccccc1CNC(=O)[C@@H](C)NC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000095482679 569374400 /nfs/dbraw/zinc/37/44/00/569374400.db2.gz XUJYMPSQKGRQHK-MRXNPFEDSA-N 0 0 430.936 2.885 50 0 IFAARN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000095945062 569375729 /nfs/dbraw/zinc/37/57/29/569375729.db2.gz YXSTVYQWUNNRNJ-CQSZACIVSA-N 0 0 437.562 2.936 50 0 IFAARN CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(Cl)c(F)c3)C2)cc1 ZINC000095946329 569376028 /nfs/dbraw/zinc/37/60/28/569376028.db2.gz QIDQMKNUXUFJDF-QGZVFWFLSA-N 0 0 445.925 2.961 50 0 IFAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccccc1 ZINC000021089925 569376101 /nfs/dbraw/zinc/37/61/01/569376101.db2.gz MVZVDAOEAUMBFX-HNNXBMFYSA-N 0 0 428.388 2.904 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000095950231 569376659 /nfs/dbraw/zinc/37/66/59/569376659.db2.gz VXYUHHMQLXUBSP-UHFFFAOYSA-N 0 0 444.962 2.779 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)[C@H](C)O)cc1 ZINC000095951864 569376727 /nfs/dbraw/zinc/37/67/27/569376727.db2.gz YIVYELVXCKKTMQ-UWJYYQICSA-N 0 0 432.586 2.979 50 0 IFAARN O=C(Nc1nnc(CC(F)(F)F)s1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000095968687 569377321 /nfs/dbraw/zinc/37/73/21/569377321.db2.gz KKZSCQZNCHUDBH-UHFFFAOYSA-N 0 0 425.387 2.584 50 0 IFAARN CCOC(=O)[C@H]1CC[C@@H](NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)C1 ZINC000095966976 569377347 /nfs/dbraw/zinc/37/73/47/569377347.db2.gz DAQFZFVIPLOPEJ-LSDHHAIUSA-N 0 0 435.498 2.724 50 0 IFAARN NC(=O)[C@@H]1CN(Cc2nnc(C3CCC3)o2)c2ccccc2N1Cc1nnc(C2CCC2)o1 ZINC000095979970 569377883 /nfs/dbraw/zinc/37/78/83/569377883.db2.gz KVYXTYBBTFFIEL-SFHVURJKSA-N 0 0 449.515 2.868 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@H](COCC(=O)NC2CCN(C(=O)c3ccco3)CC2)C1 ZINC000095984271 569378019 /nfs/dbraw/zinc/37/80/19/569378019.db2.gz UCHRXMFLVZWDOZ-KRWDZBQOSA-N 0 0 449.548 2.664 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C(c2ccccc2)c2ccccc2)o1 ZINC000095986212 569378075 /nfs/dbraw/zinc/37/80/75/569378075.db2.gz NJISFEPECHRDHZ-QFIPXVFZSA-N 0 0 429.494 2.928 50 0 IFAARN CC(C)(CNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)NS(C)(=O)=O ZINC000095993642 569378408 /nfs/dbraw/zinc/37/84/08/569378408.db2.gz CAWOMKDUNDXIEY-UONOGXRCSA-N 0 0 426.970 2.934 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)COC(=O)C(C)(C)C(=O)OCC(=O)N1CCCC[C@H]1CC ZINC000095995797 569378834 /nfs/dbraw/zinc/37/88/34/569378834.db2.gz GVSRLJZBJIDXEA-QZTJIDSGSA-N 0 0 438.565 2.681 50 0 IFAARN CC(=O)NCCN(CCC(=O)Nc1ccc(Cl)cc1F)[C@H](C)C(=O)OC(C)(C)C ZINC000096004582 569379202 /nfs/dbraw/zinc/37/92/02/569379202.db2.gz RTZKQWYTTYAXDM-CYBMUJFWSA-N 0 0 429.920 2.976 50 0 IFAARN C[C@H](CNc1nc2ccc(Cl)cc2c(NC[C@@H](C)N2CCOCC2)n1)N1CCOCC1 ZINC000096011507 569379726 /nfs/dbraw/zinc/37/97/26/569379726.db2.gz QEOBSEGABWBLTI-IAGOWNOFSA-N 0 0 448.999 2.548 50 0 IFAARN COC(=O)C1=NOC2(C1)CCN(C(=O)c1ccn(-c3cccc(C(F)(F)F)c3)n1)CC2 ZINC000096011928 569380017 /nfs/dbraw/zinc/38/00/17/569380017.db2.gz OZMZPZDQKYGCJO-UHFFFAOYSA-N 0 0 436.390 2.815 50 0 IFAARN CN(CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)Cc1cccc(O)c1 ZINC000096035342 569380978 /nfs/dbraw/zinc/38/09/78/569380978.db2.gz LIZPENRIJCMOIB-UNOMPAQXSA-N 0 0 443.500 2.816 50 0 IFAARN O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1cc(-c2cccs2)n[nH]1 ZINC000096096617 569381161 /nfs/dbraw/zinc/38/11/61/569381161.db2.gz TZYHQSMLKVEGDF-UHFFFAOYSA-N 0 0 426.527 2.990 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000096097154 569381430 /nfs/dbraw/zinc/38/14/30/569381430.db2.gz GJKJUVJILLOGHF-UHFFFAOYSA-N 0 0 440.525 2.991 50 0 IFAARN COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 ZINC000096099636 569381664 /nfs/dbraw/zinc/38/16/64/569381664.db2.gz ZVSOUZSXQLMJJQ-UHFFFAOYSA-N 0 0 431.482 2.600 50 0 IFAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)c4ccc5c(c4)OCO5)CC3)C2=O)c1 ZINC000096105383 569382363 /nfs/dbraw/zinc/38/23/63/569382363.db2.gz KFGQZUMPNJBPOO-UHFFFAOYSA-N 0 0 435.480 2.759 50 0 IFAARN O=C(Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)NC[C@H]1CCCO1 ZINC000096115147 569383182 /nfs/dbraw/zinc/38/31/82/569383182.db2.gz OQATXAZXDGQCGD-MRXNPFEDSA-N 0 0 428.492 2.870 50 0 IFAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCc1nc(-c2ccccc2)cs1 ZINC000096116383 569383672 /nfs/dbraw/zinc/38/36/72/569383672.db2.gz PSPYOWITSBFIEE-SFHVURJKSA-N 0 0 434.521 3.000 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccccn3)cc2C2CC2)cc1 ZINC000096121733 569385142 /nfs/dbraw/zinc/38/51/42/569385142.db2.gz OQLAAVXBPOSVMY-UHFFFAOYSA-N 0 0 439.541 2.503 50 0 IFAARN COCCn1c(C[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)C2)nc2cccnc21 ZINC000096125070 569385627 /nfs/dbraw/zinc/38/56/27/569385627.db2.gz PRTBJVVFEUBTBT-QGZVFWFLSA-N 0 0 440.569 2.820 50 0 IFAARN O=C(/C=C\c1cc(Br)ccc1F)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000096189935 569386209 /nfs/dbraw/zinc/38/62/09/569386209.db2.gz REJWDFYGLPQYMO-DANOYGIBSA-N 0 0 425.298 2.841 50 0 IFAARN CN1CCN(C(=O)[C@H]2CN(C(=O)c3ccco3)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000096211298 569386612 /nfs/dbraw/zinc/38/66/12/569386612.db2.gz DWIIHEIPCITTLN-MSOLQXFVSA-N 0 0 435.446 2.928 50 0 IFAARN CCNC(=O)c1cccc(CSc2nc(CC)cc(N3CCN(C(C)=O)CC3)n2)c1 ZINC000096211156 569386634 /nfs/dbraw/zinc/38/66/34/569386634.db2.gz RUOGXTYVCDODMN-UHFFFAOYSA-N 0 0 427.574 2.750 50 0 IFAARN CC(C)NC(=O)N1CCC2(CC1)N[C@@H](Cc1ccccc1)C(=O)N2CCc1ccccn1 ZINC000096210978 569386648 /nfs/dbraw/zinc/38/66/48/569386648.db2.gz YZTPNFPFYPVUGM-QFIPXVFZSA-N 0 0 435.572 2.577 50 0 IFAARN CSCC[C@@H]1NC(=O)c2cc(NC(=O)Cc3ccc4c(c3)OCC4)ccc2NC1=O ZINC000096222239 569387171 /nfs/dbraw/zinc/38/71/71/569387171.db2.gz FCHRCOCLHWADEH-SFHVURJKSA-N 0 0 425.510 2.606 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000096231363 569387601 /nfs/dbraw/zinc/38/76/01/569387601.db2.gz RQLZGPRGKSTWSN-BEFAXECRSA-N 0 0 429.546 2.863 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3nc4ccccc4n3C(C)C)C2=O)cc1 ZINC000096231512 569387630 /nfs/dbraw/zinc/38/76/30/569387630.db2.gz AVIXLNNMJGBPDH-IBGZPJMESA-N 0 0 449.511 2.753 50 0 IFAARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000096231883 569387680 /nfs/dbraw/zinc/38/76/80/569387680.db2.gz HNRAYRVZJVEHJA-IBGZPJMESA-N 0 0 441.915 2.661 50 0 IFAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NC1CC1)N2C(=O)c1ccccc1 ZINC000096274895 569388146 /nfs/dbraw/zinc/38/81/46/569388146.db2.gz UPQVOXORWYJXPE-QFIPXVFZSA-N 0 0 447.535 2.747 50 0 IFAARN O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000096280907 569389698 /nfs/dbraw/zinc/38/96/98/569389698.db2.gz FVIKCQYFWQBPMU-UHFFFAOYSA-N 0 0 435.509 2.825 50 0 IFAARN Cc1cc([C@H]2C[C@H](C(=O)NN3CCOCC3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000096281566 569390072 /nfs/dbraw/zinc/39/00/72/569390072.db2.gz YYXFZSMJDCVHNL-SFTDATJTSA-N 0 0 425.504 2.743 50 0 IFAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)NCc1ccccc1 ZINC000096287075 569390313 /nfs/dbraw/zinc/39/03/13/569390313.db2.gz SKIOFRRCXOKHBC-RTBURBONSA-N 0 0 442.537 2.849 50 0 IFAARN CC(C)NC(=O)[C@]1(OCc2ccccc2)C[C@@H](O)[C@@H](O)[C@H](OCc2ccc(F)cc2F)C1 ZINC000096287914 569390480 /nfs/dbraw/zinc/39/04/80/569390480.db2.gz DBGSDXOOBBFZQN-AZKZNFPZSA-N 0 0 449.494 2.846 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)Cn1nc(S(=O)(=O)c2cccc(C)c2)ccc1=O ZINC000096321815 569394138 /nfs/dbraw/zinc/39/41/38/569394138.db2.gz NXGYTLFNSRYSMY-UHFFFAOYSA-N 0 0 447.900 2.685 50 0 IFAARN CCCn1c2nn(CC(=O)c3ccc(Br)cc3)c(=O)n2c2ccsc2c1=O ZINC000096321851 569394235 /nfs/dbraw/zinc/39/42/35/569394235.db2.gz FJZMGHKUTFUWNT-UHFFFAOYSA-N 0 0 447.314 2.928 50 0 IFAARN Cc1nc(Cn2c3ccc(S(=O)(=O)NCCc4ccc(Cl)cc4)cc3oc2=O)no1 ZINC000096322060 569394357 /nfs/dbraw/zinc/39/43/57/569394357.db2.gz NYTPBMMUNOBHTK-UHFFFAOYSA-N 0 0 448.888 2.509 50 0 IFAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C2CC2)n1 ZINC000096322147 569394405 /nfs/dbraw/zinc/39/44/05/569394405.db2.gz XCLADKMCVMRHNU-CQSZACIVSA-N 0 0 432.502 2.856 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1nc2c3cc(-c4ccc(F)cc4)nn3ccn2c1=O ZINC000096322510 569394684 /nfs/dbraw/zinc/39/46/84/569394684.db2.gz HGUQQLOVNDJZCC-UHFFFAOYSA-N 0 0 446.442 2.906 50 0 IFAARN COc1ccccc1NC(=O)Cn1nc2c3cc(-c4ccc(F)cc4)nn3ccn2c1=O ZINC000096322491 569394713 /nfs/dbraw/zinc/39/47/13/569394713.db2.gz JSPDNOYWYOMORX-UHFFFAOYSA-N 0 0 432.415 2.597 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000096323229 569395104 /nfs/dbraw/zinc/39/51/04/569395104.db2.gz APUATPWSOGYHDG-UHFFFAOYSA-N 0 0 444.582 2.756 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000096323224 569395119 /nfs/dbraw/zinc/39/51/19/569395119.db2.gz QPIREHMKGGTASX-UHFFFAOYSA-N 0 0 444.582 2.756 50 0 IFAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1C ZINC000096323344 569395208 /nfs/dbraw/zinc/39/52/08/569395208.db2.gz OSCPNYBGCGNABY-UHFFFAOYSA-N 0 0 445.372 2.973 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC ZINC000096324018 569395605 /nfs/dbraw/zinc/39/56/05/569395605.db2.gz PIHQLJSLBJEFEF-UHFFFAOYSA-N 0 0 432.502 2.543 50 0 IFAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccco3)ccc21)N1CCCCC1 ZINC000096324056 569395694 /nfs/dbraw/zinc/39/56/94/569395694.db2.gz OKLMJKLISRKWBV-UHFFFAOYSA-N 0 0 449.554 2.537 50 0 IFAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)NC3CCCC3)ccc21)N1CCCCC1 ZINC000096324054 569395718 /nfs/dbraw/zinc/39/57/18/569395718.db2.gz NMKXRRDQJFZPDM-UHFFFAOYSA-N 0 0 437.587 2.687 50 0 IFAARN CN(C)c1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000096324223 569395742 /nfs/dbraw/zinc/39/57/42/569395742.db2.gz IZMIAMXDDVPQQW-UHFFFAOYSA-N 0 0 437.931 2.914 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)cc1OCC ZINC000096324935 569396076 /nfs/dbraw/zinc/39/60/76/569396076.db2.gz CFDFZAZTOGFVSF-UHFFFAOYSA-N 0 0 449.511 2.867 50 0 IFAARN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000096324944 569396167 /nfs/dbraw/zinc/39/61/67/569396167.db2.gz ROLHFDZCBIZJSJ-UHFFFAOYSA-N 0 0 440.301 2.832 50 0 IFAARN O=C(Cn1nc2c(cc1=O)CCCCC2)NCC1(Cc2nnc3ccccn32)CCCCC1 ZINC000096345175 569397008 /nfs/dbraw/zinc/39/70/08/569397008.db2.gz LCHKQWGCCSWQCJ-UHFFFAOYSA-N 0 0 448.571 2.864 50 0 IFAARN CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000096357234 569397411 /nfs/dbraw/zinc/39/74/11/569397411.db2.gz YCDWQEOTPWSNDG-AWEZNQCLSA-N 0 0 436.553 2.944 50 0 IFAARN COc1ccc(CC(=O)N2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)cc1 ZINC000096358558 569397531 /nfs/dbraw/zinc/39/75/31/569397531.db2.gz QDGVDMFGRQFQHZ-UHFFFAOYSA-N 0 0 438.915 2.786 50 0 IFAARN COc1cc(CNC(=O)Cn2c3cccnc3n(-c3ccc(C)cc3)c2=O)cc(OC)c1 ZINC000096385613 569398274 /nfs/dbraw/zinc/39/82/74/569398274.db2.gz DYCHHRMKQOAVJZ-UHFFFAOYSA-N 0 0 432.480 2.829 50 0 IFAARN Cc1cc(N2CC[C@@H](NS(=O)(=O)c3ccccc3Br)C2=O)ccc1F ZINC000096396349 569399029 /nfs/dbraw/zinc/39/90/29/569399029.db2.gz KAPOKSKYRLGZHW-OAHLLOKOSA-N 0 0 427.295 2.980 50 0 IFAARN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000096396183 569399033 /nfs/dbraw/zinc/39/90/33/569399033.db2.gz YTIZTRPPRAXCBV-MRXNPFEDSA-N 0 0 425.304 2.542 50 0 IFAARN CCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3cccc(C)c3C)CC2)c1=O ZINC000096396679 569399114 /nfs/dbraw/zinc/39/91/14/569399114.db2.gz IOYPKKNNHPTXLR-UHFFFAOYSA-N 0 0 427.530 2.548 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)cc1 ZINC000096397138 569399344 /nfs/dbraw/zinc/39/93/44/569399344.db2.gz ZDVQJTPBEBUDBA-UHFFFAOYSA-N 0 0 433.530 2.796 50 0 IFAARN COc1cc(NC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)cc(OC)c1 ZINC000096398428 569399710 /nfs/dbraw/zinc/39/97/10/569399710.db2.gz HQHBXJGQSIFDRU-AWEZNQCLSA-N 0 0 430.526 2.981 50 0 IFAARN COc1cccc(N2CCN(C(=O)Cn3nc(C)c4sc(C(C)C)nc4c3=O)CC2)c1 ZINC000096400131 569400415 /nfs/dbraw/zinc/40/04/15/569400415.db2.gz OTXFNLWPECNBAV-UHFFFAOYSA-N 0 0 441.557 2.642 50 0 IFAARN COC(=O)CN1c2ccc(Br)cc2C(c2ccccc2)=N[C@H](OC(C)=O)C1=O ZINC000096581881 569401776 /nfs/dbraw/zinc/40/17/76/569401776.db2.gz GKLKFNQOCLIHAZ-LJQANCHMSA-N 0 0 445.269 2.695 50 0 IFAARN O=C(N[C@H]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccnc1 ZINC000097161299 569403114 /nfs/dbraw/zinc/40/31/14/569403114.db2.gz IYGQRGPJKWBDQA-QRTARXTBSA-N 0 0 425.432 2.682 50 0 IFAARN O=C(COc1ccc(F)cc1)N1CCC(c2cc(C(=O)NCC(F)(F)F)[nH]n2)CC1 ZINC000225563792 569404505 /nfs/dbraw/zinc/40/45/05/569404505.db2.gz UALAGNPYQJVDJS-UHFFFAOYSA-N 0 0 428.386 2.626 50 0 IFAARN COc1ccc(N2C(=O)CN(Cc3ccccc3F)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000055408632 569404728 /nfs/dbraw/zinc/40/47/28/569404728.db2.gz AOLWPHSCDQGXKY-ZWKOTPCHSA-N 0 0 438.908 2.502 50 0 IFAARN CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCc2ccccc2)[C@@]12c1ccccc1N(C)C2=O ZINC000002482383 569404991 /nfs/dbraw/zinc/40/49/91/569404991.db2.gz BWRQZMQKTDCLCT-VWLOTQADSA-N 0 0 448.475 2.682 50 0 IFAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(C(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000225599431 569405303 /nfs/dbraw/zinc/40/53/03/569405303.db2.gz UFIVCPFZQZLZRL-UHFFFAOYSA-N 0 0 445.570 2.687 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)N1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000225599889 569405355 /nfs/dbraw/zinc/40/53/55/569405355.db2.gz YGFHDMAAPJSLCE-UHFFFAOYSA-N 0 0 441.941 2.617 50 0 IFAARN CO[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)s1 ZINC000225707826 569407295 /nfs/dbraw/zinc/40/72/95/569407295.db2.gz DBUGMLSFWOYSHT-ZDUSSCGKSA-N 0 0 428.919 2.721 50 0 IFAARN COc1ccc(CCC(=O)N2CC[C@H](N3C(=O)COC3=O)C2)cc1OCc1ccccc1 ZINC000225700914 569407368 /nfs/dbraw/zinc/40/73/68/569407368.db2.gz HZWMFJVHFOZVHJ-IBGZPJMESA-N 0 0 438.480 2.787 50 0 IFAARN O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000225723128 569407459 /nfs/dbraw/zinc/40/74/59/569407459.db2.gz GIVMPHZIIVDCNP-AWEZNQCLSA-N 0 0 433.434 2.634 50 0 IFAARN COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1 ZINC000225728957 569407557 /nfs/dbraw/zinc/40/75/57/569407557.db2.gz OPXFNRUFTIJJDJ-UHFFFAOYSA-N 0 0 446.433 2.867 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)CC2=O)cc1 ZINC000225732010 569407658 /nfs/dbraw/zinc/40/76/58/569407658.db2.gz AUXYNSYKTVGYEP-MRXNPFEDSA-N 0 0 447.461 2.814 50 0 IFAARN Cc1noc(-c2cccn3c(CNS(=O)(=O)c4cc(Cl)ccc4Cl)nnc23)n1 ZINC000225749915 569408068 /nfs/dbraw/zinc/40/80/68/569408068.db2.gz PGMUCZHGGAEEPC-UHFFFAOYSA-N 0 0 439.284 2.873 50 0 IFAARN COc1ccccc1CCC(=O)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 ZINC000225762502 569408283 /nfs/dbraw/zinc/40/82/83/569408283.db2.gz NIJITAHSBGVXQF-UHFFFAOYSA-N 0 0 425.460 2.634 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)OC(=O)COc2ccc3c(c2)CCC3)c(=O)n(-c2ccccc2)n1C ZINC000002619933 569410861 /nfs/dbraw/zinc/41/08/61/569410861.db2.gz ZVKZEVIMYWJEAV-QGZVFWFLSA-N 0 0 449.507 2.922 50 0 IFAARN O=C(CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)NCC(F)(F)F ZINC000002627371 569411856 /nfs/dbraw/zinc/41/18/56/569411856.db2.gz GZPPDSFMRBAZPS-UHFFFAOYSA-N 0 0 437.465 2.773 50 0 IFAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000002639950 569413521 /nfs/dbraw/zinc/41/35/21/569413521.db2.gz HSXJTJOKDBDUKO-UHFFFAOYSA-N 0 0 443.459 2.892 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000002646700 569414336 /nfs/dbraw/zinc/41/43/36/569414336.db2.gz KNZDDPHBPZELLD-UHFFFAOYSA-N 0 0 443.352 2.987 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)ccc1C ZINC000002656708 569415538 /nfs/dbraw/zinc/41/55/38/569415538.db2.gz CIRKDIKXDIUKTF-UHFFFAOYSA-N 0 0 435.571 2.927 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O ZINC000002659665 569415966 /nfs/dbraw/zinc/41/59/66/569415966.db2.gz WWWKHOYACGNXCE-JOCHJYFZSA-N 0 0 440.525 2.522 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)NCc1ccccc1 ZINC000002660877 569415992 /nfs/dbraw/zinc/41/59/92/569415992.db2.gz LYCJPGPUFYDSFG-UHFFFAOYSA-N 0 0 430.526 2.725 50 0 IFAARN O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1N1CCCC1=O ZINC000028750425 569420183 /nfs/dbraw/zinc/42/01/83/569420183.db2.gz QOEKKZPBMJZPKP-UHFFFAOYSA-N 0 0 442.479 2.807 50 0 IFAARN Cn1ncc(NC(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)c1C(N)=O ZINC000002781338 569421166 /nfs/dbraw/zinc/42/11/66/569421166.db2.gz MEHBEJHMOWCBRY-UHFFFAOYSA-N 0 0 435.391 2.561 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Cl)CC1 ZINC000002805077 569422621 /nfs/dbraw/zinc/42/26/21/569422621.db2.gz ODCPXQZHQRRAPU-UHFFFAOYSA-N 0 0 449.335 2.987 50 0 IFAARN COc1ccc(CN2CCN(C(=O)C3CCN(c4ccc(Cl)nn4)CC3)CC2)cc1 ZINC000028869990 569422995 /nfs/dbraw/zinc/42/29/95/569422995.db2.gz RXGNRDHJWAWQPE-UHFFFAOYSA-N 0 0 429.952 2.699 50 0 IFAARN O=C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC(=O)N1CCc1ccccc1 ZINC000002913853 569424964 /nfs/dbraw/zinc/42/49/64/569424964.db2.gz SVWRTXADDSCCRC-UHFFFAOYSA-N 0 0 427.309 2.596 50 0 IFAARN COc1cccc(NC(=O)c2sc3ncn(CC(=O)N4CCCC4)c(=O)c3c2C)c1 ZINC000002922659 569425406 /nfs/dbraw/zinc/42/54/06/569425406.db2.gz HEFLEXNVJLLEEU-UHFFFAOYSA-N 0 0 426.498 2.650 50 0 IFAARN CCOC(=O)C(NC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1)C(=O)OCC ZINC000002939853 569426561 /nfs/dbraw/zinc/42/65/61/569426561.db2.gz YMWKDOPAGQXKJB-UHFFFAOYSA-N 0 0 437.448 2.993 50 0 IFAARN O=C(N1CCN(c2ccc(-c3cccnc3)nn2)CC1)C1(c2ccccc2)CCOCC1 ZINC000056903517 569427445 /nfs/dbraw/zinc/42/74/45/569427445.db2.gz VBVBUDIAHUOUJW-UHFFFAOYSA-N 0 0 429.524 2.936 50 0 IFAARN CC[C@H](C(=O)N1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1)c1ccccc1 ZINC000056907962 569427679 /nfs/dbraw/zinc/42/76/79/569427679.db2.gz CEYWRIHEPXUEBU-RTWAWAEBSA-N 0 0 444.601 2.702 50 0 IFAARN CC(C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000056945426 569427912 /nfs/dbraw/zinc/42/79/12/569427912.db2.gz GYXUMHVXVQUPBG-FQEVSTJZSA-N 0 0 430.524 2.561 50 0 IFAARN CC(C)CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000056945427 569427918 /nfs/dbraw/zinc/42/79/18/569427918.db2.gz GYXUMHVXVQUPBG-HXUWFJFHSA-N 0 0 430.524 2.561 50 0 IFAARN O=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945298 569427932 /nfs/dbraw/zinc/42/79/32/569427932.db2.gz ZUWJPPGPZGNSJL-HSZRJFAPSA-N 0 0 446.551 2.618 50 0 IFAARN O=C(COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O)N1CCCCCC1 ZINC000056949781 569428316 /nfs/dbraw/zinc/42/83/16/569428316.db2.gz URNDPJXJALTTOG-UHFFFAOYSA-N 0 0 443.519 2.883 50 0 IFAARN CCCCCn1c(N2CCN(Cc3ccccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952425 569428465 /nfs/dbraw/zinc/42/84/65/569428465.db2.gz UFSJPSYPHXQWQE-UHFFFAOYSA-N 0 0 444.967 2.589 50 0 IFAARN COc1ccc(S(=O)(=O)NCCNC(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000029325485 569429724 /nfs/dbraw/zinc/42/97/24/569429724.db2.gz CLIMKUDBCDEJHC-UHFFFAOYSA-N 0 0 443.978 2.718 50 0 IFAARN Cc1nn(C)c(C)c1[C@@H]1CC(c2cccc(O)c2)=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000227173393 569431739 /nfs/dbraw/zinc/43/17/39/569431739.db2.gz QXHMBMDTQGAMHJ-FQEVSTJZSA-N 0 0 425.514 2.746 50 0 IFAARN CCOc1cc2[nH]c(=O)n(CCCC(=O)N[C@H]3CCCC[C@@H]3C)c(=O)c2cc1OCC ZINC000002952463 569432308 /nfs/dbraw/zinc/43/23/08/569432308.db2.gz VJWGCNOXOUDWEZ-RDJZCZTQSA-N 0 0 431.533 2.962 50 0 IFAARN COc1ccc(NC(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1OC ZINC000002958937 569432502 /nfs/dbraw/zinc/43/25/02/569432502.db2.gz RHXRONGQDIXANE-QAPCUYQASA-N 0 0 447.538 2.636 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1CCCN(c2cnccn2)C1 ZINC000029782245 569433346 /nfs/dbraw/zinc/43/33/46/569433346.db2.gz ZDPHCUPFQBRGMN-SFHVURJKSA-N 0 0 443.573 2.896 50 0 IFAARN CCOC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCc1ccco1 ZINC000002974011 569433460 /nfs/dbraw/zinc/43/34/60/569433460.db2.gz STMDRSPUGQNEBJ-UHFFFAOYSA-N 0 0 429.498 2.741 50 0 IFAARN CCCN(CCC)C(=O)Cn1c2ccsc2c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000057426826 569434670 /nfs/dbraw/zinc/43/46/70/569434670.db2.gz WNUUYYDOPSBWAV-UHFFFAOYSA-N 0 0 429.542 2.930 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)CC1 ZINC000057427455 569434767 /nfs/dbraw/zinc/43/47/67/569434767.db2.gz YZHSKBDRXWGYMM-UHFFFAOYSA-N 0 0 432.524 2.885 50 0 IFAARN CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3nccs3)c2=O)cc1 ZINC000057428176 569434856 /nfs/dbraw/zinc/43/48/56/569434856.db2.gz QXYLTYXWAPYFSO-UHFFFAOYSA-N 0 0 442.522 2.767 50 0 IFAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC(NS(C)(=O)=O)CC1 ZINC000057438376 569435025 /nfs/dbraw/zinc/43/50/25/569435025.db2.gz WEUWXWWPASWROG-NRFANRHFSA-N 0 0 431.558 2.697 50 0 IFAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1I ZINC000057439733 569435034 /nfs/dbraw/zinc/43/50/34/569435034.db2.gz NLLVVGIRTHSRNS-UHFFFAOYSA-N 0 0 437.281 2.758 50 0 IFAARN COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)(=O)C3)c1OC ZINC000003009319 569435251 /nfs/dbraw/zinc/43/52/51/569435251.db2.gz HHENIVSBDFLNHV-UHFFFAOYSA-N 0 0 431.445 2.709 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)c2cccc(OC)c2OC)CS(=O)(=O)C3)cc1 ZINC000003009425 569435283 /nfs/dbraw/zinc/43/52/83/569435283.db2.gz NCNVYXRJZKEDGF-UHFFFAOYSA-N 0 0 443.481 2.579 50 0 IFAARN O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)NCc1ccc(F)cc1 ZINC000057473287 569435725 /nfs/dbraw/zinc/43/57/25/569435725.db2.gz SCSQJDWKOQUJDM-UHFFFAOYSA-N 0 0 437.496 2.923 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003025302 569436245 /nfs/dbraw/zinc/43/62/45/569436245.db2.gz KGXXLCDXAWVDMA-UHFFFAOYSA-N 0 0 442.468 2.963 50 0 IFAARN Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NC5CCCCC5)nc34)n2)cc1 ZINC000057503393 569438105 /nfs/dbraw/zinc/43/81/05/569438105.db2.gz DPFGTHUAOIOEDT-UHFFFAOYSA-N 0 0 432.484 2.970 50 0 IFAARN O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1ccc(F)cc1 ZINC000057503896 569438134 /nfs/dbraw/zinc/43/81/34/569438134.db2.gz TZTVQKUZHFJOBL-UHFFFAOYSA-N 0 0 430.399 2.991 50 0 IFAARN O=C(Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O)NC1CCCCC1 ZINC000057504152 569438162 /nfs/dbraw/zinc/43/81/62/569438162.db2.gz LSROMGRWCYKJFE-UHFFFAOYSA-N 0 0 436.447 2.801 50 0 IFAARN CCc1ccccc1NC(=O)Cn1nc2cc(C)nc(N3CCc4ccccc4C3)n2c1=O ZINC000057505800 569438176 /nfs/dbraw/zinc/43/81/76/569438176.db2.gz VXMRILSDVRHPAJ-UHFFFAOYSA-N 0 0 442.523 2.963 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C)nc2N2CCc3ccccc3C2)cc1 ZINC000057506455 569438225 /nfs/dbraw/zinc/43/82/25/569438225.db2.gz HCPOHGSNNAMMDM-UHFFFAOYSA-N 0 0 446.507 2.930 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)cc(C)nc2N2CCc3ccccc3C2)c(OC)c1 ZINC000057506444 569438256 /nfs/dbraw/zinc/43/82/56/569438256.db2.gz IUDJXLPKEITMSL-UHFFFAOYSA-N 0 0 434.496 2.770 50 0 IFAARN CC(=O)c1cccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc32)c1 ZINC000057507030 569438263 /nfs/dbraw/zinc/43/82/63/569438263.db2.gz IYFHGJDPAYXZEE-UHFFFAOYSA-N 0 0 429.527 2.856 50 0 IFAARN O=C(CSc1ncnc2nc(N3CCOCC3)sc21)N[C@@H]1CCc2ccccc21 ZINC000057507166 569438281 /nfs/dbraw/zinc/43/82/81/569438281.db2.gz YKYGVNPYGDSYLP-OAHLLOKOSA-N 0 0 427.555 2.819 50 0 IFAARN Cc1ccc(-c2csc3ncnc(N4CCN([C@@H]5CCS(=O)(=O)C5)CC4)c23)cc1 ZINC000057509221 569438380 /nfs/dbraw/zinc/43/83/80/569438380.db2.gz ARJQUUBLYFLEOL-QGZVFWFLSA-N 0 0 428.583 2.976 50 0 IFAARN CCc1ccc(CNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC4)cc32)cc1 ZINC000003049073 569438852 /nfs/dbraw/zinc/43/88/52/569438852.db2.gz YNBJFKQPGRBXKW-UHFFFAOYSA-N 0 0 439.537 2.805 50 0 IFAARN O=C(c1ccc(F)cc1)N(CC1CC1)C[C@H]1CN(C[C@H](O)COc2ccccc2)CCO1 ZINC000230150570 569439541 /nfs/dbraw/zinc/43/95/41/569439541.db2.gz KQHDWDCTFQEYJI-LADGPHEKSA-N 0 0 442.531 2.819 50 0 IFAARN CS(=O)(=O)C(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003066069 569439708 /nfs/dbraw/zinc/43/97/08/569439708.db2.gz XDGVZZZEAZSFRE-UHFFFAOYSA-N 0 0 443.351 2.569 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCc1cc(F)ccc1Br ZINC000230172907 569439843 /nfs/dbraw/zinc/43/98/43/569439843.db2.gz UIDAWKUKBGOQFM-OFQRWUPVSA-N 0 0 430.343 2.930 50 0 IFAARN CCOc1ccccc1N1CCN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1 ZINC000057679791 569440852 /nfs/dbraw/zinc/44/08/52/569440852.db2.gz QGGJAPCYTKKJSL-UHFFFAOYSA-N 0 0 425.485 2.777 50 0 IFAARN CC(=O)Nc1ccc2c(COC(=O)CCc3nc4ccccc4c(=O)n3C)cc(=O)oc2c1 ZINC000057794491 569441592 /nfs/dbraw/zinc/44/15/92/569441592.db2.gz SBBGBCLRTSXZKV-UHFFFAOYSA-N 0 0 447.447 2.674 50 0 IFAARN O=C(Nc1cccc(-n2cccn2)c1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000057863023 569442168 /nfs/dbraw/zinc/44/21/68/569442168.db2.gz HZMAMFZAIYPUBQ-UHFFFAOYSA-N 0 0 443.504 2.986 50 0 IFAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)cc1 ZINC000003227473 569442199 /nfs/dbraw/zinc/44/21/99/569442199.db2.gz PSPMVJFOXXSIRD-UHFFFAOYSA-N 0 0 444.538 2.787 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003246670 569442747 /nfs/dbraw/zinc/44/27/47/569442747.db2.gz ONCKYQIADQTIHV-KBXCAEBGSA-N 0 0 441.505 2.916 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@]2(C)CC2(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000003253286 569443003 /nfs/dbraw/zinc/44/30/03/569443003.db2.gz GUCZUGHFTACTDK-XIKOKIGWSA-N 0 0 426.300 2.939 50 0 IFAARN O=C(COC(=O)c1ccc(Br)o1)COC(=O)c1ccc(Br)o1 ZINC000003279821 569443833 /nfs/dbraw/zinc/44/38/33/569443833.db2.gz XDMBWWOADVJFDB-UHFFFAOYSA-N 0 0 436.008 2.981 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@H]3CCCN3[C@@]13c1ccccc1N(C)C3=O)OCO2 ZINC000057992681 569444294 /nfs/dbraw/zinc/44/42/94/569444294.db2.gz AWAFIPLVXXYVMS-DZQNVJDRSA-N 0 0 447.491 2.913 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1C ZINC000030592131 569444374 /nfs/dbraw/zinc/44/43/74/569444374.db2.gz BMWLHQVHUFIYDZ-UHFFFAOYSA-N 0 0 440.569 2.663 50 0 IFAARN CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2C(=O)[O-])CC1 ZINC000058009170 569444761 /nfs/dbraw/zinc/44/47/61/569444761.db2.gz JRCCUSYDJAVNLF-UHFFFAOYSA-N 0 0 431.514 2.530 50 0 IFAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000003297036 569444836 /nfs/dbraw/zinc/44/48/36/569444836.db2.gz MSXPYNVGMKZSMF-FQEVSTJZSA-N 0 0 428.441 2.848 50 0 IFAARN Cc1cc(Br)c(NC(=O)COC(=O)c2cc[n+]([O-])cc2)c(Br)c1 ZINC000003301533 569445011 /nfs/dbraw/zinc/44/50/11/569445011.db2.gz ZSLJYBQEXNNAPD-UHFFFAOYSA-N 0 0 444.079 2.949 50 0 IFAARN CC(C)N(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(C)C ZINC000003326914 569446264 /nfs/dbraw/zinc/44/62/64/569446264.db2.gz RYNZSQZVPPWLGZ-ZDUSSCGKSA-N 0 0 438.468 2.561 50 0 IFAARN COC(=O)CNC(=O)CSc1nnc(-c2ccccc2OC)n1CCc1ccccc1 ZINC000003304420 569445180 /nfs/dbraw/zinc/44/51/80/569445180.db2.gz LUEPYVFDEAYIPD-UHFFFAOYSA-N 0 0 440.525 2.578 50 0 IFAARN CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)C3CCCCC3)cc2C1=O ZINC000003308687 569445355 /nfs/dbraw/zinc/44/53/55/569445355.db2.gz NJFOKZBBZGNQDQ-UHFFFAOYSA-N 0 0 428.485 2.709 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCc2ccccc21 ZINC000003315592 569445688 /nfs/dbraw/zinc/44/56/88/569445688.db2.gz JQVCXFXBEOTUHF-UHFFFAOYSA-N 0 0 428.510 2.607 50 0 IFAARN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000058046654 569445896 /nfs/dbraw/zinc/44/58/96/569445896.db2.gz OXDVVOLFOOVOMM-CVEARBPZSA-N 0 0 447.557 2.553 50 0 IFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc(Cl)cc1 ZINC000003320162 569445945 /nfs/dbraw/zinc/44/59/45/569445945.db2.gz MBDOOCRNNHASEP-UHFFFAOYSA-N 0 0 442.946 2.984 50 0 IFAARN O=S(=O)(N[C@H]1CCCC[C@H]1N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 ZINC000058085868 569446933 /nfs/dbraw/zinc/44/69/33/569446933.db2.gz XRBSUBBULCVGMB-RBUKOAKNSA-N 0 0 435.981 2.542 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)cc1 ZINC000003343007 569446980 /nfs/dbraw/zinc/44/69/80/569446980.db2.gz XUYIGUFLXUXQTJ-UHFFFAOYSA-N 0 0 446.573 2.535 50 0 IFAARN Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2Br)n1 ZINC000003346339 569447080 /nfs/dbraw/zinc/44/70/80/569447080.db2.gz LYRSRVSUVUULMS-UHFFFAOYSA-N 0 0 434.113 2.608 50 0 IFAARN COc1ccccc1NC(=O)Cc1noc(CSc2nnc3nc(C)cc(C)n32)n1 ZINC000003345627 569447088 /nfs/dbraw/zinc/44/70/88/569447088.db2.gz SJIATVQGIZFVNX-UHFFFAOYSA-N 0 0 425.474 2.606 50 0 IFAARN O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000003353124 569447460 /nfs/dbraw/zinc/44/74/60/569447460.db2.gz WAXNVRCEIPXRTB-UHFFFAOYSA-N 0 0 444.738 2.644 50 0 IFAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003353604 569447538 /nfs/dbraw/zinc/44/75/38/569447538.db2.gz DHIOJOBVNBZYPQ-UHFFFAOYSA-N 0 0 443.554 2.987 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000003361227 569447926 /nfs/dbraw/zinc/44/79/26/569447926.db2.gz PWFVKAHLKALOHC-HUUCEWRRSA-N 0 0 442.965 2.786 50 0 IFAARN Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)no1 ZINC000003366984 569448190 /nfs/dbraw/zinc/44/81/90/569448190.db2.gz MJYSNFKSRCZPLQ-UHFFFAOYSA-N 0 0 433.420 2.617 50 0 IFAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c1 ZINC000003368784 569448271 /nfs/dbraw/zinc/44/82/71/569448271.db2.gz XLIWKWFVNXMHPQ-UHFFFAOYSA-N 0 0 435.841 2.645 50 0 IFAARN O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1F ZINC000058136187 569448363 /nfs/dbraw/zinc/44/83/63/569448363.db2.gz ZJASHYVUUBXVHF-HSZRJFAPSA-N 0 0 447.514 2.839 50 0 IFAARN O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(F)cc1 ZINC000058136211 569448387 /nfs/dbraw/zinc/44/83/87/569448387.db2.gz KKPHWBXPXNCUIG-QHCPKHFHSA-N 0 0 447.514 2.839 50 0 IFAARN O=C(COC(=O)CSc1ccc2ccccc2c1)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000003373637 569448541 /nfs/dbraw/zinc/44/85/41/569448541.db2.gz YDFUTKYINARXEM-FQEVSTJZSA-N 0 0 437.473 2.958 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CCc2ccccc21 ZINC000003373248 569448558 /nfs/dbraw/zinc/44/85/58/569448558.db2.gz BLTWFOYLYBGGCT-UHFFFAOYSA-N 0 0 430.416 2.822 50 0 IFAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)NCc1ccccc1Cl)C2=O ZINC000003382080 569448847 /nfs/dbraw/zinc/44/88/47/569448847.db2.gz QNHRQFZMDRNJFH-JLCFBVMHSA-N 0 0 449.935 2.636 50 0 IFAARN Cc1ccc(F)cc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000003381268 569448865 /nfs/dbraw/zinc/44/88/65/569448865.db2.gz FNOMJCPXAJCASC-UHFFFAOYSA-N 0 0 430.457 2.748 50 0 IFAARN CCN1C[C@@H](CN(C)C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)Oc2ccccc21 ZINC000058155422 569448974 /nfs/dbraw/zinc/44/89/74/569448974.db2.gz SYIPVXAMMQYVTP-TZIWHRDSSA-N 0 0 438.507 2.650 50 0 IFAARN COc1cc(CCC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc(OC)c1 ZINC000058161588 569449217 /nfs/dbraw/zinc/44/92/17/569449217.db2.gz ZURRCFNQQDNCJD-UHFFFAOYSA-N 0 0 438.590 2.547 50 0 IFAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000003396079 569449413 /nfs/dbraw/zinc/44/94/13/569449413.db2.gz NPDIDNVVSOJPAV-INIZCTEOSA-N 0 0 431.949 2.721 50 0 IFAARN Cc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O ZINC000003410647 569450077 /nfs/dbraw/zinc/45/00/77/569450077.db2.gz ACZCNTJYAIOUPD-UHFFFAOYSA-N 0 0 441.509 2.923 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1C ZINC000003411042 569450079 /nfs/dbraw/zinc/45/00/79/569450079.db2.gz ZEAQSOOKAWXZLI-UHFFFAOYSA-N 0 0 447.557 2.572 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000003419874 569450365 /nfs/dbraw/zinc/45/03/65/569450365.db2.gz MMEITTNONYWUFF-MRXNPFEDSA-N 0 0 430.526 2.850 50 0 IFAARN Cc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000003430636 569450832 /nfs/dbraw/zinc/45/08/32/569450832.db2.gz GHZLMFACOZODLQ-UHFFFAOYSA-N 0 0 428.466 2.862 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000003442683 569451290 /nfs/dbraw/zinc/45/12/90/569451290.db2.gz PRFSVNCFUGFTHO-ZDUSSCGKSA-N 0 0 445.468 2.831 50 0 IFAARN O=C(Cc1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000003447413 569451467 /nfs/dbraw/zinc/45/14/67/569451467.db2.gz QKPKDLXMLWBGPC-UHFFFAOYSA-N 0 0 430.423 2.920 50 0 IFAARN C[C@@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)C(=O)NCc1ccco1 ZINC000003456554 569451833 /nfs/dbraw/zinc/45/18/33/569451833.db2.gz JWNPOKLTBRBDBL-CRAIPNDOSA-N 0 0 426.494 2.930 50 0 IFAARN COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217720837 569452124 /nfs/dbraw/zinc/45/21/24/569452124.db2.gz RYYGLFAIUCNCTN-MRXNPFEDSA-N 0 0 447.484 2.749 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000003477704 569452237 /nfs/dbraw/zinc/45/22/37/569452237.db2.gz NYOWBWSYEVWERP-VWLOTQADSA-N 0 0 433.508 2.698 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003481330 569452327 /nfs/dbraw/zinc/45/23/27/569452327.db2.gz UCHOWQATCKKAPP-SFHVURJKSA-N 0 0 436.917 2.983 50 0 IFAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000003486172 569452414 /nfs/dbraw/zinc/45/24/14/569452414.db2.gz XHBXAGLXSLDVKQ-UHFFFAOYSA-N 0 0 440.905 2.703 50 0 IFAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCn1nnc2ccccc2c1=O ZINC000003490279 569452531 /nfs/dbraw/zinc/45/25/31/569452531.db2.gz CMTDBJKJQYPOHG-OAQYLSRUSA-N 0 0 428.448 2.854 50 0 IFAARN O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(C(=S)NCc2ccco2)CC1 ZINC000003504038 569452872 /nfs/dbraw/zinc/45/28/72/569452872.db2.gz QDLUWJXFIYLHOT-UHFFFAOYSA-N 0 0 434.370 2.967 50 0 IFAARN CCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccccc1 ZINC000003501514 569452873 /nfs/dbraw/zinc/45/28/73/569452873.db2.gz JVYUIGBPIVPITP-UHFFFAOYSA-N 0 0 425.514 2.635 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1C ZINC000003557051 569453974 /nfs/dbraw/zinc/45/39/74/569453974.db2.gz AIHIVTGBTJWUPC-NRFANRHFSA-N 0 0 444.553 2.593 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCC2(CC1)OCCO2 ZINC000031179961 569454545 /nfs/dbraw/zinc/45/45/45/569454545.db2.gz LFQNQNSPDMVTBI-UHFFFAOYSA-N 0 0 444.553 2.606 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O ZINC000003593751 569454655 /nfs/dbraw/zinc/45/46/55/569454655.db2.gz BKWNBJQCGIVVKK-NRFANRHFSA-N 0 0 429.860 2.922 50 0 IFAARN COc1ccc(OC)c(-n2c(=O)c3ccc(C(=O)NC[C@H]4CCCO4)cc3[nH]c2=S)c1 ZINC000003631305 569455345 /nfs/dbraw/zinc/45/53/45/569455345.db2.gz GTZRXESKKPKFQM-OAHLLOKOSA-N 0 0 441.509 2.974 50 0 IFAARN CC(=O)Nc1ccc2nc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)sc2c1 ZINC000058565784 569456340 /nfs/dbraw/zinc/45/63/40/569456340.db2.gz PNBBOPNUOGBIPB-UHFFFAOYSA-N 0 0 429.502 2.790 50 0 IFAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1=O)C2=O ZINC000031495859 569456534 /nfs/dbraw/zinc/45/65/34/569456534.db2.gz TXDZFLLPGZMCMP-CMJOXMDJSA-N 0 0 426.517 2.889 50 0 IFAARN CC(C)Cn1nccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000031703681 569457044 /nfs/dbraw/zinc/45/70/44/569457044.db2.gz QUGBZRGJAIHUGI-UHFFFAOYSA-N 0 0 429.340 2.561 50 0 IFAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000031718302 569457057 /nfs/dbraw/zinc/45/70/57/569457057.db2.gz NYIJFEQAOYOKRE-UHFFFAOYSA-N 0 0 441.488 2.753 50 0 IFAARN CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1)C(=O)NCCOC ZINC000003959583 569457237 /nfs/dbraw/zinc/45/72/37/569457237.db2.gz ASVPQSHYNCOHST-AWEZNQCLSA-N 0 0 434.953 2.823 50 0 IFAARN COc1ccccc1CN1CC(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000031773744 569457273 /nfs/dbraw/zinc/45/72/73/569457273.db2.gz OSFBCBRMVDKAOG-RBUKOAKNSA-N 0 0 434.945 2.671 50 0 IFAARN O=C(NCCc1csc(-c2cccnc2)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000031773218 569457291 /nfs/dbraw/zinc/45/72/91/569457291.db2.gz NJKBDTUZAQTLEH-UHFFFAOYSA-N 0 0 442.566 2.962 50 0 IFAARN Cc1nnc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3ccc(C)c(Cl)c3)c(N)c1-2 ZINC000004056913 569458451 /nfs/dbraw/zinc/45/84/51/569458451.db2.gz PBCLPVLQBNJKNA-AWEZNQCLSA-N 0 0 446.964 2.886 50 0 IFAARN Cc1ccc(Cc2cnc(NC(=O)CCn3cnc4c(cnn4C)c3=O)s2)cc1F ZINC000031956040 569458532 /nfs/dbraw/zinc/45/85/32/569458532.db2.gz UYINTEMXKZISAG-UHFFFAOYSA-N 0 0 426.477 2.654 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)CC1 ZINC000032070827 569459202 /nfs/dbraw/zinc/45/92/02/569459202.db2.gz LEZCHICQGMQDIO-UHFFFAOYSA-N 0 0 448.523 2.980 50 0 IFAARN Cc1nc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)sc1C ZINC000032071973 569459218 /nfs/dbraw/zinc/45/92/18/569459218.db2.gz GHFCCFTXODGCEY-QGZVFWFLSA-N 0 0 426.542 2.990 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 ZINC000032071947 569459243 /nfs/dbraw/zinc/45/92/43/569459243.db2.gz MWIOCTFLEJASQX-ZDUSSCGKSA-N 0 0 435.402 2.822 50 0 IFAARN CCCCc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000032094870 569459840 /nfs/dbraw/zinc/45/98/40/569459840.db2.gz WDJPLZIKXOBQAE-HXUWFJFHSA-N 0 0 429.542 2.547 50 0 IFAARN NC(=O)CN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)C1=O ZINC000032101700 569460082 /nfs/dbraw/zinc/46/00/82/569460082.db2.gz FMXLELNKUUPLLQ-JOCHJYFZSA-N 0 0 435.871 2.695 50 0 IFAARN Cc1ccc(-n2cnnn2)cc1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000059284084 569460741 /nfs/dbraw/zinc/46/07/41/569460741.db2.gz DSIMTXQHRXPUTR-UHFFFAOYSA-N 0 0 448.936 2.905 50 0 IFAARN C[C@@H]1Cn2c3c(nc2N(C2CCCCC2)C1)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000004249351 569461367 /nfs/dbraw/zinc/46/13/67/569461367.db2.gz BRUJHRLMIRZXIG-HNNXBMFYSA-N 0 0 425.508 2.873 50 0 IFAARN COc1ccccc1Nc1nc(N)nc(COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000032391553 569461503 /nfs/dbraw/zinc/46/15/03/569461503.db2.gz RITGSKYUKVVRJN-HNNXBMFYSA-N 0 0 448.483 2.611 50 0 IFAARN Cc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000038292135 569462503 /nfs/dbraw/zinc/46/25/03/569462503.db2.gz CMJBRAWVEOFHOE-SFQUDFHCSA-N 0 0 427.570 2.572 50 0 IFAARN CCOc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4C)c3=O)n2)cc1 ZINC000038486640 569462792 /nfs/dbraw/zinc/46/27/92/569462792.db2.gz SOIFEDXGKQRYPY-UHFFFAOYSA-N 0 0 443.467 2.842 50 0 IFAARN O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1nc2c(s1)CCCC2 ZINC000038488189 569462981 /nfs/dbraw/zinc/46/29/81/569462981.db2.gz ASFRNOAWOSYLCP-UHFFFAOYSA-N 0 0 429.527 2.990 50 0 IFAARN COc1cccc(-c2cc(C(=O)N3CCN(c4cc(N5CCCCC5)ncn4)CC3)[nH]n2)c1 ZINC000038488372 569463024 /nfs/dbraw/zinc/46/30/24/569463024.db2.gz CZVBFILRJDMWDP-UHFFFAOYSA-N 0 0 447.543 2.828 50 0 IFAARN COc1cc(C(=O)OCC(=O)NCc2cccc(Br)c2)cc(OC)c1OC ZINC000067197552 569464453 /nfs/dbraw/zinc/46/44/53/569464453.db2.gz ULORRPNMQXTUHN-UHFFFAOYSA-N 0 0 438.274 2.948 50 0 IFAARN CCOC(=O)CNC(=O)Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1 ZINC000067207617 569464712 /nfs/dbraw/zinc/46/47/12/569464712.db2.gz XOWNYXOZFUTEEX-UHFFFAOYSA-N 0 0 433.262 2.647 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(NC(C)=O)cc4)ncn3n2)cc1 ZINC000067208937 569464742 /nfs/dbraw/zinc/46/47/42/569464742.db2.gz ULKJWNPWYOPUKK-UHFFFAOYSA-N 0 0 430.468 2.718 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)NCc2cccs2)CC3)cc1 ZINC000038633663 569465011 /nfs/dbraw/zinc/46/50/11/569465011.db2.gz SPDJIGXGZPJPRO-UHFFFAOYSA-N 0 0 435.571 2.779 50 0 IFAARN C[C@@H]1CCCN(c2nc3ncn(CC(=O)NCCCc4ccccc4)c(=O)c3s2)C1 ZINC000067226257 569465266 /nfs/dbraw/zinc/46/52/66/569465266.db2.gz VSCTXDPTQWRAAG-MRXNPFEDSA-N 0 0 425.558 2.838 50 0 IFAARN COc1ccc(CNC(=O)c2nsc(C(=O)NCc3cccc(OC)c3)c2N)cc1 ZINC000067246174 569465928 /nfs/dbraw/zinc/46/59/28/569465928.db2.gz XAEQVIRTABAJBD-UHFFFAOYSA-N 0 0 426.498 2.603 50 0 IFAARN O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1nccs1 ZINC000067255521 569466049 /nfs/dbraw/zinc/46/60/49/569466049.db2.gz JNKGTZJETSSJTI-UHFFFAOYSA-N 0 0 432.918 2.932 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 ZINC000038695731 569466720 /nfs/dbraw/zinc/46/67/20/569466720.db2.gz SGTXNGOUXIWKEC-UHFFFAOYSA-N 0 0 442.946 2.682 50 0 IFAARN COCC(=O)N1CCCc2ccc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)cc21 ZINC000038699681 569466847 /nfs/dbraw/zinc/46/68/47/569466847.db2.gz YXOJCXAQQBPICA-UHFFFAOYSA-N 0 0 444.553 2.976 50 0 IFAARN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000067286470 569466928 /nfs/dbraw/zinc/46/69/28/569466928.db2.gz IGRUNOWHTWEOHL-LJQANCHMSA-N 0 0 447.532 2.760 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1OC ZINC000067286453 569466936 /nfs/dbraw/zinc/46/69/36/569466936.db2.gz XDXIUQCIYZKQQN-IBGZPJMESA-N 0 0 447.532 2.615 50 0 IFAARN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1OC ZINC000067286471 569466986 /nfs/dbraw/zinc/46/69/86/569466986.db2.gz IGRUNOWHTWEOHL-IBGZPJMESA-N 0 0 447.532 2.760 50 0 IFAARN CCOC(=O)C1C(CN2CCC[C@H](C(=O)OCC)C2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286540 569467069 /nfs/dbraw/zinc/46/70/69/569467069.db2.gz JCUVHQHLUVKOBM-RXVVDRJESA-N 0 0 443.544 2.695 50 0 IFAARN CCOC(=O)C1C(CN2CCC[C@H](C(=O)OCC)C2)=NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000067286539 569467099 /nfs/dbraw/zinc/46/70/99/569467099.db2.gz JCUVHQHLUVKOBM-GHTZIAJQSA-N 0 0 443.544 2.695 50 0 IFAARN NS(=O)(=O)c1ccc(CCNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000067288284 569467394 /nfs/dbraw/zinc/46/73/94/569467394.db2.gz QDVJXDSEBAOTHN-UHFFFAOYSA-N 0 0 442.516 2.912 50 0 IFAARN COc1ccc(CNC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(Cl)cc2)cc1 ZINC000067300630 569468200 /nfs/dbraw/zinc/46/82/00/569468200.db2.gz PXAIGKSZGPWSCZ-UHFFFAOYSA-N 0 0 441.915 2.732 50 0 IFAARN Cc1nc(-c2ccccc2)n(CC(=O)NCCc2ccc(Cl)cc2)c(=O)c1CCO ZINC000067300296 569468221 /nfs/dbraw/zinc/46/82/21/569468221.db2.gz MLHUVPFXUBBVQG-UHFFFAOYSA-N 0 0 425.916 2.766 50 0 IFAARN Cc1nc(-c2ccc(F)cc2)n(CC(=O)NCc2ccccc2Cl)c(=O)c1CCO ZINC000067300830 569468244 /nfs/dbraw/zinc/46/82/44/569468244.db2.gz HBWPNGAGCGJVRX-UHFFFAOYSA-N 0 0 429.879 2.862 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(F)cc2)cc1OC ZINC000067300973 569468259 /nfs/dbraw/zinc/46/82/59/569468259.db2.gz YOIAXIPOXNALER-UHFFFAOYSA-N 0 0 441.459 2.549 50 0 IFAARN O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)NCc1ccc(F)c(Cl)c1 ZINC000067317076 569468442 /nfs/dbraw/zinc/46/84/42/569468442.db2.gz MLKXNGRPQORWSZ-UHFFFAOYSA-N 0 0 435.912 2.952 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O ZINC000067317024 569468481 /nfs/dbraw/zinc/46/84/81/569468481.db2.gz FODOCJZHUOBRAE-INIZCTEOSA-N 0 0 425.558 2.981 50 0 IFAARN CCc1ccc(CNC(=O)Cn2nc3cc(-c4ccc(OC)cc4)nc(C)n3c2=O)cc1 ZINC000067319405 569468503 /nfs/dbraw/zinc/46/85/03/569468503.db2.gz HTDFVMJBPBWTBA-UHFFFAOYSA-N 0 0 431.496 2.754 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)N[C@@H](C)c4cccc(OC)c4)c(=O)n3c(C)n2)cc1 ZINC000067319438 569468519 /nfs/dbraw/zinc/46/85/19/569468519.db2.gz SDOKKEIFTHKDTP-HNNXBMFYSA-N 0 0 447.495 2.761 50 0 IFAARN O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccccc1Cl ZINC000067318848 569468529 /nfs/dbraw/zinc/46/85/29/569468529.db2.gz QONTYCZCGYTENV-UHFFFAOYSA-N 0 0 425.872 2.766 50 0 IFAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)nnn1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000067322488 569468672 /nfs/dbraw/zinc/46/86/72/569468672.db2.gz NABDANDMNPFNHR-UHFFFAOYSA-N 0 0 425.420 2.696 50 0 IFAARN Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000067322540 569468682 /nfs/dbraw/zinc/46/86/82/569468682.db2.gz DXSVRHVBIYGVCU-UHFFFAOYSA-N 0 0 429.383 2.527 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)c1 ZINC000067336805 569468930 /nfs/dbraw/zinc/46/89/30/569468930.db2.gz DZZPYAPKUDAINB-UHFFFAOYSA-N 0 0 440.431 2.558 50 0 IFAARN COc1ccc(NC(=O)c2cnc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc2N)cc1 ZINC000067336532 569468944 /nfs/dbraw/zinc/46/89/44/569468944.db2.gz PFQPDZXULBGYBT-UHFFFAOYSA-N 0 0 442.520 2.813 50 0 IFAARN Cc1cnc2n(c1=O)[C@@H](CC(=O)OCc1cc(-c3ccc4c(c3)OCO4)on1)CS2 ZINC000038768197 569469006 /nfs/dbraw/zinc/46/90/06/569469006.db2.gz KPTNQTQHWSHECG-AWEZNQCLSA-N 0 0 427.438 2.716 50 0 IFAARN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccccc1Br)O2 ZINC000038834924 569469205 /nfs/dbraw/zinc/46/92/05/569469205.db2.gz YSRXJFDZWPWTMB-INIZCTEOSA-N 0 0 425.304 2.923 50 0 IFAARN CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)Oc2ccc(Cl)cc21 ZINC000038853832 569469277 /nfs/dbraw/zinc/46/92/77/569469277.db2.gz VVAPXPHWVZOUBO-KRWDZBQOSA-N 0 0 438.889 2.667 50 0 IFAARN CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)cc1 ZINC000008645494 569469608 /nfs/dbraw/zinc/46/96/08/569469608.db2.gz DLNADXIJCPZBKC-VWLOTQADSA-N 0 0 444.491 2.947 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000008650905 569469672 /nfs/dbraw/zinc/46/96/72/569469672.db2.gz HHMYTUJHCHPWPO-UHFFFAOYSA-N 0 0 426.494 2.951 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000008660863 569469756 /nfs/dbraw/zinc/46/97/56/569469756.db2.gz CPPYYMRKBTZELI-UHFFFAOYSA-N 0 0 430.464 2.811 50 0 IFAARN Cc1ccc(CNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC4)cc32)cc1 ZINC000008661351 569469782 /nfs/dbraw/zinc/46/97/82/569469782.db2.gz SFCZMQUESYKOQO-UHFFFAOYSA-N 0 0 425.510 2.551 50 0 IFAARN O=C(NCc1ccccc1Cl)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000008661350 569469816 /nfs/dbraw/zinc/46/98/16/569469816.db2.gz PHBLVFPAQADOEG-UHFFFAOYSA-N 0 0 445.928 2.896 50 0 IFAARN O=C(NCc1ccc(F)cc1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000008661338 569469820 /nfs/dbraw/zinc/46/98/20/569469820.db2.gz HQIRAPOCKKXTLL-UHFFFAOYSA-N 0 0 443.500 2.772 50 0 IFAARN Cn1c2ncn(CCCOC(c3ccc(F)cc3)c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000008662387 569469894 /nfs/dbraw/zinc/46/98/94/569469894.db2.gz LNVMEHOQMHDQDU-UHFFFAOYSA-N 0 0 440.450 2.908 50 0 IFAARN CCOC(=O)[C@H](N(C)C(=O)OC(C)(C)C)[C@@]1(O)C(=O)C(c2ccccc2)=C1OC(C)C ZINC000039013284 569470079 /nfs/dbraw/zinc/47/00/79/569470079.db2.gz WJKJYBOQTBBHPA-GAJHUEQPSA-N 0 0 433.501 2.935 50 0 IFAARN CCc1ccc(N2C(=O)C[C@@H](N3CCC(n4nnc(-c5cccs5)n4)CC3)C2=O)cc1 ZINC000008694547 569470163 /nfs/dbraw/zinc/47/01/63/569470163.db2.gz GJQADHRXOFQAMQ-GOSISDBHSA-N 0 0 436.541 2.933 50 0 IFAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000008704043 569470312 /nfs/dbraw/zinc/47/03/12/569470312.db2.gz NXZHYNQCSNSFKP-HNNXBMFYSA-N 0 0 448.595 2.841 50 0 IFAARN CN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000008705041 569470350 /nfs/dbraw/zinc/47/03/50/569470350.db2.gz KXAGNJRRWGRGLV-OAHLLOKOSA-N 0 0 438.575 2.781 50 0 IFAARN CN(C)C(=O)c1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000008710968 569471030 /nfs/dbraw/zinc/47/10/30/569471030.db2.gz JVCXIAXMSMTAPI-UHFFFAOYSA-N 0 0 444.557 2.614 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000008720169 569471533 /nfs/dbraw/zinc/47/15/33/569471533.db2.gz RGWZXQZHAFRFHM-CJAUYULYSA-N 0 0 445.523 2.993 50 0 IFAARN Cc1cccc2nc(CSc3ccc(S(=O)(=O)N4CCCCC4)cn3)cc(=O)n12 ZINC000008724199 569471930 /nfs/dbraw/zinc/47/19/30/569471930.db2.gz HOYVFHFXTBXHDP-UHFFFAOYSA-N 0 0 430.555 2.865 50 0 IFAARN CCCCn1c2nc(CSc3nnc(-c4ccoc4C)n3C)n(CC)c2c(=O)[nH]c1=O ZINC000008723965 569471945 /nfs/dbraw/zinc/47/19/45/569471945.db2.gz JSYZUBHZWHDTSS-UHFFFAOYSA-N 0 0 443.533 2.696 50 0 IFAARN CCCCn1c2nc(CSc3nnc(-c4ccccc4)n3CC)n(C)c2c(=O)[nH]c1=O ZINC000008724733 569472085 /nfs/dbraw/zinc/47/20/85/569472085.db2.gz KOWBSZDWDMSXEZ-UHFFFAOYSA-N 0 0 439.545 2.794 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nccn1-c1cccc(F)c1)C2=O ZINC000008725607 569472140 /nfs/dbraw/zinc/47/21/40/569472140.db2.gz JUPARLLQKCPJIZ-UHFFFAOYSA-N 0 0 431.493 2.635 50 0 IFAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 ZINC000008743217 569473002 /nfs/dbraw/zinc/47/30/02/569473002.db2.gz ODRSGVPAKCIRNW-YSFYHYPLSA-N 0 0 443.459 2.517 50 0 IFAARN Cc1cccc2c(=O)n(CCC(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cnc12 ZINC000008748250 569473133 /nfs/dbraw/zinc/47/31/33/569473133.db2.gz DQGBMYXDEPHDJV-UHFFFAOYSA-N 0 0 442.522 2.747 50 0 IFAARN COc1cc(OC)c2c(C)c(CC(=O)NCc3ccc(OC)c(OC)c3)c(=O)oc2c1 ZINC000008751922 569473457 /nfs/dbraw/zinc/47/34/57/569473457.db2.gz QBQRKCNJKOIXSB-UHFFFAOYSA-N 0 0 427.453 2.995 50 0 IFAARN CCOc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000008753694 569473714 /nfs/dbraw/zinc/47/37/14/569473714.db2.gz AFQOQTTVTGURKI-ZDUSSCGKSA-N 0 0 427.486 2.967 50 0 IFAARN COC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000008763017 569474452 /nfs/dbraw/zinc/47/44/52/569474452.db2.gz FDALIFRVHFZOBT-HNNXBMFYSA-N 0 0 440.525 2.965 50 0 IFAARN CC[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2c([O-])[nH]c(=O)n(Cc3ccc(OC)cc3)c2=O)[NH2+]1 ZINC000008764235 569474539 /nfs/dbraw/zinc/47/45/39/569474539.db2.gz MUKRCJBRCWHPMC-OYHNWAKOSA-N 0 0 446.507 2.794 50 0 IFAARN COc1ccc(C2(CN3C(=O)N[C@@H](CCC(=O)NCCC(C)C)C3=O)CCOCC2)cc1 ZINC000008765409 569474736 /nfs/dbraw/zinc/47/47/36/569474736.db2.gz HEVMKMMAJCEZEJ-FQEVSTJZSA-N 0 0 445.560 2.606 50 0 IFAARN COc1ccc(/C=C/C(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1OC ZINC000008788694 569475867 /nfs/dbraw/zinc/47/58/67/569475867.db2.gz QSMPYFQFROLBBF-JXMROGBWSA-N 0 0 429.469 2.636 50 0 IFAARN COc1ccc(CNC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)c(OC)c1 ZINC000008790854 569476106 /nfs/dbraw/zinc/47/61/06/569476106.db2.gz QYSSLMBESNBQJJ-UHFFFAOYSA-N 0 0 427.453 2.995 50 0 IFAARN CCn1nc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c2ccccc2c1=O ZINC000008806462 569476494 /nfs/dbraw/zinc/47/64/94/569476494.db2.gz JEWUTGXDOLJMQC-UHFFFAOYSA-N 0 0 431.351 2.533 50 0 IFAARN COc1ccc(CNC(=O)COC(=O)CSCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000008824790 569477211 /nfs/dbraw/zinc/47/72/11/569477211.db2.gz CSXKYXIUQQFYEG-UHFFFAOYSA-N 0 0 436.917 2.880 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nncn1-c1ccccc1C ZINC000008824721 569477257 /nfs/dbraw/zinc/47/72/57/569477257.db2.gz FTPRDSOMWIAHEP-UHFFFAOYSA-N 0 0 445.570 2.865 50 0 IFAARN O=C(CNC(=O)c1ccc2ccccc2c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008825548 569477375 /nfs/dbraw/zinc/47/73/75/569477375.db2.gz LYSIHEYUVMCORK-UHFFFAOYSA-N 0 0 437.521 2.993 50 0 IFAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008825561 569477408 /nfs/dbraw/zinc/47/74/08/569477408.db2.gz ITBUGXRUMRIHCQ-GOSISDBHSA-N 0 0 431.539 2.913 50 0 IFAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccco4)c(=O)n32)cc1 ZINC000008834804 569477975 /nfs/dbraw/zinc/47/79/75/569477975.db2.gz HEYRKMUTTYGXLP-VOMPUTFMSA-N 0 0 438.505 2.788 50 0 IFAARN CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2C1 ZINC000008840423 569478318 /nfs/dbraw/zinc/47/83/18/569478318.db2.gz HGVWXEWHYKZIMG-UHFFFAOYSA-N 0 0 428.963 2.990 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)cc1 ZINC000008848422 569479159 /nfs/dbraw/zinc/47/91/59/569479159.db2.gz KEAOSBYUYYAFED-DEOSSOPVSA-N 0 0 448.479 2.605 50 0 IFAARN COc1cccc(NC(=O)CN(C)CCS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000008848822 569479214 /nfs/dbraw/zinc/47/92/14/569479214.db2.gz CBUUNBWLSNHNGI-UHFFFAOYSA-N 0 0 441.347 2.802 50 0 IFAARN O=C(CNC(=O)C(=O)NCc1ccco1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000008850551 569479365 /nfs/dbraw/zinc/47/93/65/569479365.db2.gz NTIIZQPOYXBMRH-HXUWFJFHSA-N 0 0 425.872 2.571 50 0 IFAARN O=C(COC(=O)c1ccc(C2SCCS2)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000008876579 569481127 /nfs/dbraw/zinc/48/11/27/569481127.db2.gz XZUNTDRHZHJECE-UHFFFAOYSA-N 0 0 446.550 2.900 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)Nc2nccs2)C(C)C)c1 ZINC000008878809 569481312 /nfs/dbraw/zinc/48/13/12/569481312.db2.gz NVCJVEWKSWBJJO-MRXNPFEDSA-N 0 0 438.575 2.567 50 0 IFAARN COCCn1c(=O)c2cc(Br)ccc2nc1S[C@@H](C)C(=O)NC1CC1 ZINC000068888037 569482481 /nfs/dbraw/zinc/48/24/81/569482481.db2.gz GQBCITWROHZHLD-JTQLQIEISA-N 0 0 426.336 2.565 50 0 IFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000040018289 569482700 /nfs/dbraw/zinc/48/27/00/569482700.db2.gz MQZDLXZGZNEHEY-HXUWFJFHSA-N 0 0 441.915 2.999 50 0 IFAARN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCCC1 ZINC000008883985 569483080 /nfs/dbraw/zinc/48/30/80/569483080.db2.gz NSMBKOXRYMILRJ-UHFFFAOYSA-N 0 0 435.546 2.608 50 0 IFAARN O=C(CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1)Nc1cc(F)cc(F)c1 ZINC000040033498 569483124 /nfs/dbraw/zinc/48/31/24/569483124.db2.gz JHBDNBFZZSKISC-QGZVFWFLSA-N 0 0 428.439 2.821 50 0 IFAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCC(=O)Nc2ccc(F)cc2)C1=O ZINC000008887285 569483203 /nfs/dbraw/zinc/48/32/03/569483203.db2.gz XGKZQJNTXVMVRA-XMMPIXPASA-N 0 0 448.454 2.501 50 0 IFAARN Cc1ccc(-c2noc(CN3CCN(C[C@@H](O)COCc4ccccc4F)CC3)n2)cc1 ZINC000040039716 569483361 /nfs/dbraw/zinc/48/33/61/569483361.db2.gz RLCCQKPMLHRINE-OAQYLSRUSA-N 0 0 440.519 2.879 50 0 IFAARN Cn1c(=O)c2cc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)cnc2n(C)c1=O ZINC000040043037 569483636 /nfs/dbraw/zinc/48/36/36/569483636.db2.gz VBQSNAADKPRDDB-QGZVFWFLSA-N 0 0 438.534 2.543 50 0 IFAARN Cc1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1C1CC1 ZINC000008900404 569484110 /nfs/dbraw/zinc/48/41/10/569484110.db2.gz ALMBIQIVMGVEPI-CYBMUJFWSA-N 0 0 435.575 2.825 50 0 IFAARN CC(=O)c1cccc(OC[C@H](O)Cn2c(C[C@H]3CCS(=O)(=O)C3)nc3ccccc32)c1 ZINC000040050652 569484249 /nfs/dbraw/zinc/48/42/49/569484249.db2.gz VCNFEASNCDQVJS-IEBWSBKVSA-N 0 0 442.537 2.656 50 0 IFAARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N(C)CC(=O)NC(C)(C)C)o2)cc1C ZINC000040051867 569484457 /nfs/dbraw/zinc/48/44/57/569484457.db2.gz GWCJLWKSERDZQO-UHFFFAOYSA-N 0 0 429.517 2.807 50 0 IFAARN O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccccc1SCC(F)(F)F ZINC000040058015 569484625 /nfs/dbraw/zinc/48/46/25/569484625.db2.gz IDJOAHQDUIMKHC-UHFFFAOYSA-N 0 0 438.225 2.592 50 0 IFAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1nc2ccccn2c1=O ZINC000040057951 569484637 /nfs/dbraw/zinc/48/46/37/569484637.db2.gz ZEWSKSNXLDYWRS-UHFFFAOYSA-N 0 0 436.299 2.680 50 0 IFAARN COc1cc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)ccc1OC(F)F ZINC000040069119 569485259 /nfs/dbraw/zinc/48/52/59/569485259.db2.gz AKGJDSNMLJRBRT-MRXNPFEDSA-N 0 0 440.468 2.766 50 0 IFAARN COc1cc(C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000008915752 569485624 /nfs/dbraw/zinc/48/56/24/569485624.db2.gz GKRIDGGZMMWRCF-MRXNPFEDSA-N 0 0 437.489 2.681 50 0 IFAARN COc1ccc(Cl)cc1CC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000040072075 569485883 /nfs/dbraw/zinc/48/58/83/569485883.db2.gz JCJXLSCULLWAJZ-UHFFFAOYSA-N 0 0 443.997 2.545 50 0 IFAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008917280 569485958 /nfs/dbraw/zinc/48/59/58/569485958.db2.gz JYXREXTYYPOUDU-LIRRHRJNSA-N 0 0 425.462 2.534 50 0 IFAARN CC(C)CCNc1nc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cs1 ZINC000008918838 569486350 /nfs/dbraw/zinc/48/63/50/569486350.db2.gz DDKLHUCLIGVOIC-UHFFFAOYSA-N 0 0 436.509 2.994 50 0 IFAARN CC(=O)Nc1cccc(-n2c(SCCCN3C(=O)NC(C)(C)C3=O)nnc2C2CC2)c1 ZINC000040089710 569487120 /nfs/dbraw/zinc/48/71/20/569487120.db2.gz KAAAVVHQEAGTRK-UHFFFAOYSA-N 0 0 442.545 2.916 50 0 IFAARN Cn1c(NCc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C ZINC000008926221 569487267 /nfs/dbraw/zinc/48/72/67/569487267.db2.gz OQNDAZJHALIGKX-UHFFFAOYSA-N 0 0 427.867 2.887 50 0 IFAARN O=C(NCC1(c2ccccc2)CCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000040096627 569487542 /nfs/dbraw/zinc/48/75/42/569487542.db2.gz TUQWVJRAPHXDGX-UHFFFAOYSA-N 0 0 429.542 2.951 50 0 IFAARN COc1ccccc1CNC(=O)CC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000008931704 569487579 /nfs/dbraw/zinc/48/75/79/569487579.db2.gz BIGVDHRYXSMUIG-UHFFFAOYSA-N 0 0 434.496 2.777 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCc4ccc(OC(C)C)cc4)C3)sc2n1 ZINC000008933807 569487854 /nfs/dbraw/zinc/48/78/54/569487854.db2.gz CNDJFCXWXJEHLS-KRWDZBQOSA-N 0 0 441.557 2.779 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 ZINC000008936941 569488092 /nfs/dbraw/zinc/48/80/92/569488092.db2.gz ZLMNOZSBTRANAG-VBKZILBWSA-N 0 0 448.466 2.976 50 0 IFAARN Cc1ccccc1Cc1cnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)s1 ZINC000040111733 569488849 /nfs/dbraw/zinc/48/88/49/569488849.db2.gz OEAXVQQOSZYQTO-UHFFFAOYSA-N 0 0 447.538 2.909 50 0 IFAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008943818 569488896 /nfs/dbraw/zinc/48/88/96/569488896.db2.gz CEBABNYUKDHQKX-IBGZPJMESA-N 0 0 435.480 2.605 50 0 IFAARN Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1cccc(Cl)c1 ZINC000040113579 569489012 /nfs/dbraw/zinc/48/90/12/569489012.db2.gz CFXKNFZWINBIJF-UHFFFAOYSA-N 0 0 425.938 2.662 50 0 IFAARN CSc1nc2c(cnn2CCNC(=O)COc2ccc(F)cc2)c(N2CCCCC2)n1 ZINC000008946069 569489042 /nfs/dbraw/zinc/48/90/42/569489042.db2.gz MOAZYAGPFSLVBE-UHFFFAOYSA-N 0 0 444.536 2.873 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cccc(OC(F)F)c2)c(=O)[nH]c1=O ZINC000008946019 569489044 /nfs/dbraw/zinc/48/90/44/569489044.db2.gz BPZZFRPLCORUFC-UHFFFAOYSA-N 0 0 448.426 2.960 50 0 IFAARN C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000040117688 569489318 /nfs/dbraw/zinc/48/93/18/569489318.db2.gz GTWMSSJOHGPUIS-SUMWQHHRSA-N 0 0 427.432 2.679 50 0 IFAARN O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040120926 569489478 /nfs/dbraw/zinc/48/94/78/569489478.db2.gz STXCSWRHQGUUDV-KRWDZBQOSA-N 0 0 443.429 2.951 50 0 IFAARN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC(C)C)C1 ZINC000040121298 569489526 /nfs/dbraw/zinc/48/95/26/569489526.db2.gz BACVVMRGDHHJHW-QUCCMNQESA-N 0 0 429.561 2.701 50 0 IFAARN Cc1nc2c(s1)c(-c1ccc(C)cc1)nn(CC(=O)Nc1ccc(C(N)=O)cc1)c2=O ZINC000008955137 569490093 /nfs/dbraw/zinc/49/00/93/569490093.db2.gz JKMOQQNQEXJHGB-UHFFFAOYSA-N 0 0 433.493 2.874 50 0 IFAARN Cc1nc2c(s1)c(-c1ccc(F)cc1)nn(CC(=O)Nc1ccc(C(N)=O)cc1)c2=O ZINC000008955531 569490096 /nfs/dbraw/zinc/49/00/96/569490096.db2.gz GYZQQFFWCVVOQZ-UHFFFAOYSA-N 0 0 437.456 2.705 50 0 IFAARN O=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCN(CCOc2ccccc2)CC1 ZINC000040130632 569490288 /nfs/dbraw/zinc/49/02/88/569490288.db2.gz VZOZTONGDJFPKQ-SFHVURJKSA-N 0 0 429.952 2.570 50 0 IFAARN O=C(CCS(=O)(=O)C1CCCC1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000040134426 569490551 /nfs/dbraw/zinc/49/05/51/569490551.db2.gz HKXJUFQNSMGVDA-UHFFFAOYSA-N 0 0 433.496 2.933 50 0 IFAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000069071370 569490831 /nfs/dbraw/zinc/49/08/31/569490831.db2.gz XROJDTZRVDESIG-UHFFFAOYSA-N 0 0 435.354 2.689 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(CCSc3ccccc3)CC2)cc1 ZINC000040139419 569490885 /nfs/dbraw/zinc/49/08/85/569490885.db2.gz YZEPUUBDJLUJEH-UHFFFAOYSA-N 0 0 447.626 2.923 50 0 IFAARN COc1cc(C(=O)NC(=S)NN2CCCC[C@H]2c2cccnc2)cc(OC)c1OC ZINC000008964869 569491283 /nfs/dbraw/zinc/49/12/83/569491283.db2.gz WVURGXTYETZXEO-INIZCTEOSA-N 0 0 430.530 2.854 50 0 IFAARN CCCCn1c(N)c(N(C)C(=O)CCOc2cccc(Cl)c2Cl)c(=O)[nH]c1=O ZINC000040140518 569491584 /nfs/dbraw/zinc/49/15/84/569491584.db2.gz ANWKXHFHQKEGIN-UHFFFAOYSA-N 0 0 429.304 2.658 50 0 IFAARN COc1ccc(OC)c2sc(N3CCN(S(=O)(=O)c4cccs4)CC3)nc21 ZINC000008967140 569491787 /nfs/dbraw/zinc/49/17/87/569491787.db2.gz SSGDYGRZLKYRNI-UHFFFAOYSA-N 0 0 425.557 2.886 50 0 IFAARN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1cccnc1OC1CCCC1 ZINC000040142089 569491802 /nfs/dbraw/zinc/49/18/02/569491802.db2.gz KSUVKDOPRXYZOY-UHFFFAOYSA-N 0 0 428.880 2.971 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC[C@@H](C)Cn3nc(C)cc3C)CC2)c1 ZINC000040142475 569491905 /nfs/dbraw/zinc/49/19/05/569491905.db2.gz GZEBWNUMOYLFDP-MRXNPFEDSA-N 0 0 442.560 2.822 50 0 IFAARN C[C@H](SCc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000040143383 569491916 /nfs/dbraw/zinc/49/19/16/569491916.db2.gz PAPMAKVSWXHULF-UWJYYQICSA-N 0 0 426.538 2.819 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 ZINC000040145438 569492125 /nfs/dbraw/zinc/49/21/25/569492125.db2.gz MXMFCOCSVXRVKS-UHFFFAOYSA-N 0 0 447.435 2.638 50 0 IFAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1sc(-c2ncccn2)nc1C ZINC000040146602 569492248 /nfs/dbraw/zinc/49/22/48/569492248.db2.gz DPMBEJLKZLCOJK-UHFFFAOYSA-N 0 0 439.497 2.784 50 0 IFAARN O=C(c1ccc(-c2cnco2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000040150796 569493222 /nfs/dbraw/zinc/49/32/22/569493222.db2.gz RGIGMSSSXDOGET-UHFFFAOYSA-N 0 0 437.521 2.977 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)o1)N1CCN(CCSc2ccccc2)CC1 ZINC000040150905 569493252 /nfs/dbraw/zinc/49/32/52/569493252.db2.gz CNDBDKOSJBWWOD-UHFFFAOYSA-N 0 0 449.598 2.614 50 0 IFAARN COC(=O)c1cn([C@@H]2CCCC[C@H]2NC(=O)c2sc(NC(=O)C3CC3)cc2C)nn1 ZINC000040152711 569493511 /nfs/dbraw/zinc/49/35/11/569493511.db2.gz ASZIXOMBHPJYBW-UKRRQHHQSA-N 0 0 431.518 2.697 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 ZINC000040154112 569493656 /nfs/dbraw/zinc/49/36/56/569493656.db2.gz ADJYHLQAZZEDTO-LJQANCHMSA-N 0 0 433.530 2.676 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)o1 ZINC000040154143 569493706 /nfs/dbraw/zinc/49/37/06/569493706.db2.gz UVUPQHXYRFDPQQ-UHFFFAOYSA-N 0 0 445.497 2.618 50 0 IFAARN C[C@@H](Cn1ccnc1)NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000040154172 569493719 /nfs/dbraw/zinc/49/37/19/569493719.db2.gz KGMSIPZAYLSAFN-HNNXBMFYSA-N 0 0 430.555 2.510 50 0 IFAARN C[C@H](Cn1ccnc1)NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000040154173 569493737 /nfs/dbraw/zinc/49/37/37/569493737.db2.gz KGMSIPZAYLSAFN-OAHLLOKOSA-N 0 0 430.555 2.510 50 0 IFAARN CCCCn1c2nc(CNc3ccc(-n4cccn4)c(F)c3)n(CC)c2c(=O)[nH]c1=O ZINC000040155649 569493952 /nfs/dbraw/zinc/49/39/52/569493952.db2.gz NWFOHCUVTJQRMD-UHFFFAOYSA-N 0 0 425.468 2.643 50 0 IFAARN COc1ccccc1CN(CCO)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000040155962 569494036 /nfs/dbraw/zinc/49/40/36/569494036.db2.gz GSSURXPJZHOVJA-UHFFFAOYSA-N 0 0 446.569 2.895 50 0 IFAARN CC[C@@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccc2c(c1)OCCO2 ZINC000040156971 569494238 /nfs/dbraw/zinc/49/42/38/569494238.db2.gz FYCNXFNRLNBTLI-LJQANCHMSA-N 0 0 435.480 2.975 50 0 IFAARN O=C(Nc1cccc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c1)c1ccc2[nH]cnc2c1 ZINC000040158136 569494424 /nfs/dbraw/zinc/49/44/24/569494424.db2.gz DOJFWEBRGNFQKT-UHFFFAOYSA-N 0 0 431.496 2.946 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000008988395 569494958 /nfs/dbraw/zinc/49/49/58/569494958.db2.gz CXISTXYAEQQWIS-UHFFFAOYSA-N 0 0 437.544 2.665 50 0 IFAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)c3cc(C)n(-c4cc(C)on4)c3C)C2=O)cc1 ZINC000008988561 569494972 /nfs/dbraw/zinc/49/49/72/569494972.db2.gz LPIBNQWDOTWVHY-UHFFFAOYSA-N 0 0 436.424 2.577 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccc(Cl)cc1 ZINC000008990812 569495073 /nfs/dbraw/zinc/49/50/73/569495073.db2.gz RYEUGHGDJPEPCS-KRWDZBQOSA-N 0 0 443.887 2.833 50 0 IFAARN C[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000040161251 569495128 /nfs/dbraw/zinc/49/51/28/569495128.db2.gz FHJMPBOOGWTJPU-RBUKOAKNSA-N 0 0 447.576 2.658 50 0 IFAARN O=C(CCNC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Nc1cccc(F)c1 ZINC000008992110 569495316 /nfs/dbraw/zinc/49/53/16/569495316.db2.gz HDVLVBJRFSDZHB-UHFFFAOYSA-N 0 0 437.475 2.803 50 0 IFAARN O=C(c1ccc(Br)o1)N(CCS(=O)(=O)N1CCCC1)Cc1ccccn1 ZINC000008993376 569495407 /nfs/dbraw/zinc/49/54/07/569495407.db2.gz BGPQATJBBDTOTF-UHFFFAOYSA-N 0 0 442.335 2.505 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1c2cccnc2c(=O)n(Cc2ccccn2)c1=O ZINC000009000993 569495942 /nfs/dbraw/zinc/49/59/42/569495942.db2.gz BCURUTSCNMLAFN-UHFFFAOYSA-N 0 0 429.480 2.511 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2cccs2)cc1 ZINC000009005032 569496072 /nfs/dbraw/zinc/49/60/72/569496072.db2.gz QSGQSXVRWUWEDD-QGZVFWFLSA-N 0 0 438.552 2.645 50 0 IFAARN Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000009016327 569496779 /nfs/dbraw/zinc/49/67/79/569496779.db2.gz QBBHWPNOHUWRIJ-UHFFFAOYSA-N 0 0 435.915 2.962 50 0 IFAARN Cc1ccccc1-n1c(=O)[nH]nc1CC1CCN(C(=O)Cn2cnc3ccccc32)CC1 ZINC000244986070 569496822 /nfs/dbraw/zinc/49/68/22/569496822.db2.gz JEBHNOASFQHDOP-UHFFFAOYSA-N 0 0 430.512 2.700 50 0 IFAARN Cc1cc(NC(=O)COC(=O)c2ccc(OC(F)F)cc2)n(-c2nc(C)cc(C)n2)n1 ZINC000009022579 569497052 /nfs/dbraw/zinc/49/70/52/569497052.db2.gz MZHNAPMRLKCUFS-UHFFFAOYSA-N 0 0 431.399 2.984 50 0 IFAARN O=C(CCc1nc2ccccc2[nH]1)NCCn1cc(-c2nc(-c3ccsc3)no2)nn1 ZINC000245060654 569497091 /nfs/dbraw/zinc/49/70/91/569497091.db2.gz PTIOYDCKERONLR-UHFFFAOYSA-N 0 0 434.485 2.682 50 0 IFAARN COc1ccc(N2C(=O)C[C@@]3(CC(c4cc(OC)c(OC)cc4OC)=NO3)C2=O)cc1 ZINC000040266369 569497216 /nfs/dbraw/zinc/49/72/16/569497216.db2.gz QWODXDNOCOPASF-QFIPXVFZSA-N 0 0 426.425 2.548 50 0 IFAARN COc1cc(NC(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc(OC)c1OC ZINC000009040705 569497538 /nfs/dbraw/zinc/49/75/38/569497538.db2.gz CTFJZIZPNXTRQL-CYBMUJFWSA-N 0 0 443.456 2.616 50 0 IFAARN CC[C@@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000009049264 569498561 /nfs/dbraw/zinc/49/85/61/569498561.db2.gz SEKLEKAWCKEBFK-MRXNPFEDSA-N 0 0 430.526 2.505 50 0 IFAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)ccc1OC ZINC000040309252 569498662 /nfs/dbraw/zinc/49/86/62/569498662.db2.gz RTRXCFVUOVPMQV-PXNSSMCTSA-N 0 0 430.505 2.672 50 0 IFAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O ZINC000009056659 569499070 /nfs/dbraw/zinc/49/90/70/569499070.db2.gz ZRSOSHJILVYIKG-GKVSMKOHSA-N 0 0 445.475 2.563 50 0 IFAARN COc1cccc(C(=O)N(CCS(=O)(=O)N2CCCCCC2)Cc2ccccn2)c1 ZINC000009061042 569499515 /nfs/dbraw/zinc/49/95/15/569499515.db2.gz ADSWSJLMUZEOKD-UHFFFAOYSA-N 0 0 431.558 2.938 50 0 IFAARN O=S1(=O)CC[C@H](N(Cc2cccc(F)c2)C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000245228979 569499957 /nfs/dbraw/zinc/49/99/57/569499957.db2.gz KKDTWOFEPUNPTQ-OALUTQOASA-N 0 0 427.925 2.908 50 0 IFAARN COc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2C2CC2)cc1S(=O)(=O)N(C)C ZINC000009076823 569500365 /nfs/dbraw/zinc/50/03/65/569500365.db2.gz DKIDRPRSKMAEIE-NRFANRHFSA-N 0 0 449.598 2.955 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@H]1C ZINC000245237676 569500437 /nfs/dbraw/zinc/50/04/37/569500437.db2.gz QJWQBNBLMGDWSK-QLFBSQMISA-N 0 0 434.027 2.649 50 0 IFAARN O=C(NCc1ccncc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000009094876 569501289 /nfs/dbraw/zinc/50/12/89/569501289.db2.gz GTOFHTZXMIMMLG-FQEVSTJZSA-N 0 0 429.929 2.941 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(Cn2nnc(-c3ccc(Br)cc3)n2)n1 ZINC000069345420 569501608 /nfs/dbraw/zinc/50/16/08/569501608.db2.gz WPNHKQLWDNCIQY-UHFFFAOYSA-N 0 0 438.293 2.970 50 0 IFAARN C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)[C@H]1C ZINC000245276746 569501951 /nfs/dbraw/zinc/50/19/51/569501951.db2.gz VMSBOKRHIFXODJ-VCBZYWHSSA-N 0 0 427.526 2.981 50 0 IFAARN C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)[C@H]1C ZINC000245276747 569501952 /nfs/dbraw/zinc/50/19/52/569501952.db2.gz VMSBOKRHIFXODJ-ZRGWGRIASA-N 0 0 427.526 2.981 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NC[C@H]1CCCO1)C2 ZINC000245280860 569502173 /nfs/dbraw/zinc/50/21/73/569502173.db2.gz UYYVUGCEDNFQSZ-CQOQZXRMSA-N 0 0 439.531 2.997 50 0 IFAARN COc1ccc(-c2nnc(SCc3nc(N)nc(Nc4ccccc4C)n3)n2N)cc1 ZINC000009111659 569502349 /nfs/dbraw/zinc/50/23/49/569502349.db2.gz XSNWWKNETOXTST-UHFFFAOYSA-N 0 0 435.517 2.779 50 0 IFAARN Cn1c(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21 ZINC000009115692 569502822 /nfs/dbraw/zinc/50/28/22/569502822.db2.gz FCBUQDPLLFTWSY-GOSISDBHSA-N 0 0 432.933 2.696 50 0 IFAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(Cc2ccco2)c1=O)NCCc1ccccc1 ZINC000009116519 569502998 /nfs/dbraw/zinc/50/29/98/569502998.db2.gz LXLBKHSYUBDSAF-UHFFFAOYSA-N 0 0 443.459 2.910 50 0 IFAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(Cc2ccco2)c1=O)NCc1ccccc1 ZINC000009116518 569503006 /nfs/dbraw/zinc/50/30/06/569503006.db2.gz ULCFAFQJXSQKQA-UHFFFAOYSA-N 0 0 429.432 2.867 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccccc3F)ccc2N1C(=O)C1CC1 ZINC000009117108 569503063 /nfs/dbraw/zinc/50/30/63/569503063.db2.gz ODXYAMWRJFAXBJ-CQSZACIVSA-N 0 0 445.516 2.773 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)N[C@@H]3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 ZINC000009117153 569503070 /nfs/dbraw/zinc/50/30/70/569503070.db2.gz IXXNHPFDINBNPD-GQIGUUNPSA-N 0 0 447.601 2.690 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)N[C@H]3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 ZINC000009117151 569503077 /nfs/dbraw/zinc/50/30/77/569503077.db2.gz IXXNHPFDINBNPD-GUXCAODWSA-N 0 0 447.601 2.690 50 0 IFAARN COCCCNC(=O)[C@H]1CCCN(c2nn3cc(-c4ccc(OC)cc4)nc3s2)C1 ZINC000009117465 569503182 /nfs/dbraw/zinc/50/31/82/569503182.db2.gz HFXRHTWOQYLCHF-INIZCTEOSA-N 0 0 429.546 2.836 50 0 IFAARN O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000009119517 569503511 /nfs/dbraw/zinc/50/35/11/569503511.db2.gz VHMFGMCJGIXOFK-OAHLLOKOSA-N 0 0 436.392 2.993 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc(-c3ccccc3)cs2)cc1 ZINC000009120154 569503780 /nfs/dbraw/zinc/50/37/80/569503780.db2.gz WQPLIWVROQOPTM-UHFFFAOYSA-N 0 0 433.580 2.909 50 0 IFAARN CCOc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(OC)cc2)cc1 ZINC000009126742 569505025 /nfs/dbraw/zinc/50/50/25/569505025.db2.gz GUUHWQLMLILXIE-UHFFFAOYSA-N 0 0 445.479 2.750 50 0 IFAARN CCOc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccccc2F)cc1 ZINC000009126731 569505037 /nfs/dbraw/zinc/50/50/37/569505037.db2.gz PXHXVQMYLCUMHC-UHFFFAOYSA-N 0 0 433.443 2.880 50 0 IFAARN CC(C)Oc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000009128929 569505564 /nfs/dbraw/zinc/50/55/64/569505564.db2.gz IYYZDYOLYXWFCR-CQSZACIVSA-N 0 0 428.441 2.503 50 0 IFAARN CC(=O)c1cccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C)c1 ZINC000040454739 569506483 /nfs/dbraw/zinc/50/64/83/569506483.db2.gz AEZBBLHYMZQOQT-UHFFFAOYSA-N 0 0 443.554 2.924 50 0 IFAARN CCOc1ccc(CNC(=O)c2nc(Cn3nc(-c4ccccc4)ccc3=O)no2)cc1 ZINC000040455255 569506541 /nfs/dbraw/zinc/50/65/41/569506541.db2.gz AMLTZJCJFBPINX-UHFFFAOYSA-N 0 0 431.452 2.670 50 0 IFAARN CCOc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)cc1 ZINC000040478040 569506675 /nfs/dbraw/zinc/50/66/75/569506675.db2.gz FPIMRLFRFUAKCF-UHFFFAOYSA-N 0 0 438.875 2.727 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O ZINC000040478199 569506722 /nfs/dbraw/zinc/50/67/22/569506722.db2.gz DODWDWJRKSCRPJ-UHFFFAOYSA-N 0 0 426.839 2.776 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000040478227 569506755 /nfs/dbraw/zinc/50/67/55/569506755.db2.gz CXRYRPPIPBDASJ-UHFFFAOYSA-N 0 0 446.364 2.833 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000009138916 569507239 /nfs/dbraw/zinc/50/72/39/569507239.db2.gz MFWQGIBHIXIAPK-UHFFFAOYSA-N 0 0 447.553 2.650 50 0 IFAARN COC(=O)[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1C(F)(F)F ZINC000069563297 569507276 /nfs/dbraw/zinc/50/72/76/569507276.db2.gz NPNHNEGJEOHRPZ-WMLDXEAASA-N 0 0 441.450 2.964 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)Nc1cccc(Br)c1 ZINC000009151565 569507506 /nfs/dbraw/zinc/50/75/06/569507506.db2.gz QLWBLVDUHMOBKF-UHFFFAOYSA-N 0 0 439.287 2.583 50 0 IFAARN CCOc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 ZINC000009151746 569507588 /nfs/dbraw/zinc/50/75/88/569507588.db2.gz QGIDSKDGQBECQW-CQSZACIVSA-N 0 0 432.498 2.916 50 0 IFAARN COc1cc(NC(=O)C[C@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc(OC)c1 ZINC000009151722 569507591 /nfs/dbraw/zinc/50/75/91/569507591.db2.gz ZEINACJVRRLOPF-ZDUSSCGKSA-N 0 0 448.497 2.534 50 0 IFAARN CCN(C(=O)C[C@H](C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2)c1ccc(OC)cc1 ZINC000009151841 569507619 /nfs/dbraw/zinc/50/76/19/569507619.db2.gz JKNBLUYGGUMNQI-HNNXBMFYSA-N 0 0 446.525 2.940 50 0 IFAARN COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(N)n2)cc1 ZINC000009152091 569507765 /nfs/dbraw/zinc/50/77/65/569507765.db2.gz DVRHQJGVUBMXOK-UHFFFAOYSA-N 0 0 430.511 2.631 50 0 IFAARN COc1ccccc1CNC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000009152702 569507880 /nfs/dbraw/zinc/50/78/80/569507880.db2.gz DQWYUBQXCNVLLY-CYBMUJFWSA-N 0 0 434.539 2.608 50 0 IFAARN Cc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1CC(=O)N1CCCC1)n2C ZINC000009153657 569508163 /nfs/dbraw/zinc/50/81/63/569508163.db2.gz VBFYTCJMQCCDNV-UHFFFAOYSA-N 0 0 430.508 2.634 50 0 IFAARN CN(C(=O)CSc1nnnn1-c1ccccc1)c1ccccc1C(=O)NCc1ccco1 ZINC000009155241 569508238 /nfs/dbraw/zinc/50/82/38/569508238.db2.gz WNZMMWHMSVYQPQ-UHFFFAOYSA-N 0 0 448.508 2.940 50 0 IFAARN O=C(CNc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009157239 569508397 /nfs/dbraw/zinc/50/83/97/569508397.db2.gz OTGPZAMNWPDHPP-UHFFFAOYSA-N 0 0 443.447 2.777 50 0 IFAARN C[C@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009168189 569509059 /nfs/dbraw/zinc/50/90/59/569509059.db2.gz YBRSFUWZFDMXPF-AWEZNQCLSA-N 0 0 449.602 2.986 50 0 IFAARN Cc1ccc(C(=O)c2c3c(sc2NC(=O)COC(=O)Cn2cncn2)CCCC3)cc1 ZINC000009172158 569509453 /nfs/dbraw/zinc/50/94/53/569509453.db2.gz BODBZUKRTROMEO-UHFFFAOYSA-N 0 0 438.509 2.940 50 0 IFAARN Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1Cc1ccccc1Cl ZINC000009172568 569509542 /nfs/dbraw/zinc/50/95/42/569509542.db2.gz KNIVKLLVDUSFKG-UHFFFAOYSA-N 0 0 445.903 2.863 50 0 IFAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000009180986 569509782 /nfs/dbraw/zinc/50/97/82/569509782.db2.gz OJBIWGHABJYQEN-HSZRJFAPSA-N 0 0 431.488 2.782 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1C ZINC000009180844 569509818 /nfs/dbraw/zinc/50/98/18/569509818.db2.gz UUUJUDJPLKHCOM-UHFFFAOYSA-N 0 0 446.503 2.837 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)c1 ZINC000009190124 569510513 /nfs/dbraw/zinc/51/05/13/569510513.db2.gz WUKMYDOOPORTFC-PBHICJAKSA-N 0 0 431.562 2.792 50 0 IFAARN CCOc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009191000 569510600 /nfs/dbraw/zinc/51/06/00/569510600.db2.gz VLIRQRLFCISIEE-GOSISDBHSA-N 0 0 433.526 2.932 50 0 IFAARN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000009192608 569510755 /nfs/dbraw/zinc/51/07/55/569510755.db2.gz DDWXBHDLHMLEGR-UHFFFAOYSA-N 0 0 449.548 2.550 50 0 IFAARN Cn1c2ccccc2nc1SCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009202492 569511256 /nfs/dbraw/zinc/51/12/56/569511256.db2.gz RBZLIWPZPYARED-QGZVFWFLSA-N 0 0 429.567 2.881 50 0 IFAARN NS(=O)(=O)c1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 ZINC000009204010 569511299 /nfs/dbraw/zinc/51/12/99/569511299.db2.gz FKXSBSWWDCDFLB-AWEZNQCLSA-N 0 0 447.822 2.750 50 0 IFAARN Cc1ccc(CCNS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)cc1 ZINC000009211529 569511768 /nfs/dbraw/zinc/51/17/68/569511768.db2.gz SNJQCFDWGGAYQK-UHFFFAOYSA-N 0 0 435.505 2.707 50 0 IFAARN COc1ccc(-c2c3c(cn2CCc2ccc(OC)c(OC)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000009215625 569511994 /nfs/dbraw/zinc/51/19/94/569511994.db2.gz SNKPTONCMDPONG-UHFFFAOYSA-N 0 0 449.507 2.974 50 0 IFAARN COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)c1 ZINC000009215786 569512058 /nfs/dbraw/zinc/51/20/58/569512058.db2.gz NDFJMKGOIGEMRG-PWDRBQJJSA-N 0 0 434.514 2.504 50 0 IFAARN Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009219050 569512447 /nfs/dbraw/zinc/51/24/47/569512447.db2.gz RBQHIMIQGNDOKG-OAQYLSRUSA-N 0 0 431.558 2.804 50 0 IFAARN COc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1S(=O)(=O)NC1CC1 ZINC000009219934 569512582 /nfs/dbraw/zinc/51/25/82/569512582.db2.gz AJJAJACPJCHCNN-OAHLLOKOSA-N 0 0 440.525 2.813 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000009222098 569512674 /nfs/dbraw/zinc/51/26/74/569512674.db2.gz NCOUDPLLVQUVSQ-GOSISDBHSA-N 0 0 433.555 2.619 50 0 IFAARN Cn1cnc2c1c(=O)n(CCCSc1ncc(C(F)(F)F)cc1Cl)c(=O)n2C ZINC000009222905 569512864 /nfs/dbraw/zinc/51/28/64/569512864.db2.gz KXEIDHMSLKTQAB-UHFFFAOYSA-N 0 0 433.843 2.683 50 0 IFAARN COc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(Cl)ccc3C)c2N)cc1OC ZINC000009226822 569513280 /nfs/dbraw/zinc/51/32/80/569513280.db2.gz PWSLNQQLBSBRRG-UHFFFAOYSA-N 0 0 444.879 2.730 50 0 IFAARN CCN(CC)C(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)c(Br)c1 ZINC000009238840 569514406 /nfs/dbraw/zinc/51/44/06/569514406.db2.gz YZFNBONPRWVJSB-HUUCEWRRSA-N 0 0 440.367 2.985 50 0 IFAARN O=C([C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1)N1CCOCC1 ZINC000009238527 569514374 /nfs/dbraw/zinc/51/43/74/569514374.db2.gz ACZXBTYKWZKKES-MSOLQXFVSA-N 0 0 425.489 2.702 50 0 IFAARN Cc1ccc(CC(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1C ZINC000009244852 569515138 /nfs/dbraw/zinc/51/51/38/569515138.db2.gz NEFZUYVGEMCAFQ-UHFFFAOYSA-N 0 0 432.274 2.960 50 0 IFAARN CC(=O)NCc1ccc(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2C)cc1 ZINC000009245577 569515367 /nfs/dbraw/zinc/51/53/67/569515367.db2.gz RRXLJEXKPIDINL-FQEVSTJZSA-N 0 0 438.509 2.939 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000009254202 569516317 /nfs/dbraw/zinc/51/63/17/569516317.db2.gz RAJDBHAJUPISRG-SGANQWHYSA-N 0 0 446.507 2.706 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000009254205 569516335 /nfs/dbraw/zinc/51/63/35/569516335.db2.gz RAJDBHAJUPISRG-MQNRADLISA-N 0 0 446.507 2.706 50 0 IFAARN COc1cccc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)c1 ZINC000009262081 569516975 /nfs/dbraw/zinc/51/69/75/569516975.db2.gz AQZTWUKIDXRHJS-UHFFFAOYSA-N 0 0 429.477 2.875 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)cc1 ZINC000009263585 569517163 /nfs/dbraw/zinc/51/71/63/569517163.db2.gz JYZSYWFMQABTLS-NSHDSACASA-N 0 0 432.531 2.581 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(S[C@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1 ZINC000009264060 569517301 /nfs/dbraw/zinc/51/73/01/569517301.db2.gz UIPWRYOBHFPARA-GFCCVEGCSA-N 0 0 446.558 2.889 50 0 IFAARN Cn1c2ccc(S(=O)(=O)CCC(=O)N3CCC(Cc4ccccc4)CC3)cc2oc1=O ZINC000009266116 569517365 /nfs/dbraw/zinc/51/73/65/569517365.db2.gz ASGMTJDJFIZEHM-UHFFFAOYSA-N 0 0 442.537 2.777 50 0 IFAARN Cn1c2ccc(S(=O)(=O)CCC(=O)N3CC=C(c4ccccc4)CC3)cc2oc1=O ZINC000009266105 569517396 /nfs/dbraw/zinc/51/73/96/569517396.db2.gz ZWBCRMIYXFEMLL-UHFFFAOYSA-N 0 0 426.494 2.611 50 0 IFAARN Cc1cc(C)cc(NC(=O)CN2C(=O)N(c3cc(C)cc(C)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009269418 569517678 /nfs/dbraw/zinc/51/76/78/569517678.db2.gz MTCICKHHMFWEAV-SFTDATJTSA-N 0 0 441.553 2.967 50 0 IFAARN COc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000009276307 569518385 /nfs/dbraw/zinc/51/83/85/569518385.db2.gz GGKYQMRRCSYSDT-UHFFFAOYSA-N 0 0 427.526 2.751 50 0 IFAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H](O)COc1c(C)cccc1C ZINC000009282850 569518705 /nfs/dbraw/zinc/51/87/05/569518705.db2.gz FTMSLTXZWYLQJL-QGZVFWFLSA-N 0 0 441.528 2.819 50 0 IFAARN CN1C(=O)N(CC(=O)Nc2cccc(I)c2)C(=O)C12CCCCC2 ZINC000009282839 569518742 /nfs/dbraw/zinc/51/87/42/569518742.db2.gz NWKZSFIDHBRYLH-UHFFFAOYSA-N 0 0 441.269 2.827 50 0 IFAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000009284802 569519150 /nfs/dbraw/zinc/51/91/50/569519150.db2.gz KYXLYSAPTBLDPN-HNNXBMFYSA-N 0 0 426.494 2.895 50 0 IFAARN CCOc1ccc(CNC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)cc1 ZINC000009287606 569519321 /nfs/dbraw/zinc/51/93/21/569519321.db2.gz OIKHMVYGLHVIOU-UHFFFAOYSA-N 0 0 429.546 2.596 50 0 IFAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000009287784 569519338 /nfs/dbraw/zinc/51/93/38/569519338.db2.gz GQBDUYGKHFJKFY-KRWDZBQOSA-N 0 0 443.573 2.987 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)c(C)c1 ZINC000009288442 569519380 /nfs/dbraw/zinc/51/93/80/569519380.db2.gz HCAAMYOYKYQTBA-GOSISDBHSA-N 0 0 429.542 2.750 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)Nc3nnc(C4CC4)s3)n2C)cc1OC ZINC000009289930 569519655 /nfs/dbraw/zinc/51/96/55/569519655.db2.gz ICKIUAXAYDOGKK-UHFFFAOYSA-N 0 0 432.531 2.959 50 0 IFAARN C[C@H]1Cn2c3c(nc2N(Cc2ccccc2)C1)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000009291941 569519949 /nfs/dbraw/zinc/51/99/49/569519949.db2.gz MQZKFHINLITMFE-MRXNPFEDSA-N 0 0 433.487 2.740 50 0 IFAARN CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c1 ZINC000009295441 569520355 /nfs/dbraw/zinc/52/03/55/569520355.db2.gz FKKDKCZFUHHNSH-PHJXOXRPSA-N 0 0 434.517 2.807 50 0 IFAARN CCOc1ccc(CCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1OCC ZINC000009300388 569520610 /nfs/dbraw/zinc/52/06/10/569520610.db2.gz AASFVSHWIDFOQW-UHFFFAOYSA-N 0 0 432.542 2.996 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000009300881 569520629 /nfs/dbraw/zinc/52/06/29/569520629.db2.gz DOUAQBFXNXHISP-MRXNPFEDSA-N 0 0 433.530 2.848 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000009300960 569520688 /nfs/dbraw/zinc/52/06/88/569520688.db2.gz IHYOFRQVLXUGNP-UHFFFAOYSA-N 0 0 445.900 2.860 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(CN2CCC3(C[C@@H]3c3nc(-c4cccnc4)no3)CC2)o1 ZINC000069841467 569520819 /nfs/dbraw/zinc/52/08/19/569520819.db2.gz DBCCPROPDMOPMN-QGZVFWFLSA-N 0 0 443.529 2.745 50 0 IFAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nnc(C4CC4)s3)n2C)c1 ZINC000009302538 569520828 /nfs/dbraw/zinc/52/08/28/569520828.db2.gz OWTLQIXJOPJULH-UHFFFAOYSA-N 0 0 443.558 2.513 50 0 IFAARN CCn1c(CC(=O)Nc2ccccc2)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 ZINC000009304040 569521127 /nfs/dbraw/zinc/52/11/27/569521127.db2.gz GOYOQZWWRKDEGJ-LLVKDONJSA-N 0 0 431.547 2.758 50 0 IFAARN O=C(NCCc1cccs1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009305410 569521255 /nfs/dbraw/zinc/52/12/55/569521255.db2.gz HOARONGQZUJODT-CYBMUJFWSA-N 0 0 436.584 2.512 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(C)=O)c3)C2)cc1 ZINC000009306301 569521345 /nfs/dbraw/zinc/52/13/45/569521345.db2.gz WHZCKVKFAGPDLS-GOSISDBHSA-N 0 0 443.525 2.887 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(NC(C)=O)cc2)NC(=O)N[C@H]1c1cccs1 ZINC000009315661 569522186 /nfs/dbraw/zinc/52/21/86/569522186.db2.gz KUQSGXOGCYQBIR-SFHVURJKSA-N 0 0 443.481 2.735 50 0 IFAARN O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCC1 ZINC000009315996 569522197 /nfs/dbraw/zinc/52/21/97/569522197.db2.gz BMAZJNTWKPKPNC-HXUWFJFHSA-N 0 0 442.537 2.586 50 0 IFAARN COc1ccccc1-c1nnc(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)n1C ZINC000009317629 569522329 /nfs/dbraw/zinc/52/23/29/569522329.db2.gz JKAUKVNEKXSVPS-UHFFFAOYSA-N 0 0 443.504 2.819 50 0 IFAARN O=C(CNc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009335557 569523323 /nfs/dbraw/zinc/52/33/23/569523323.db2.gz GAPFNBRFKQBCTC-UHFFFAOYSA-N 0 0 443.447 2.777 50 0 IFAARN Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000009336206 569523410 /nfs/dbraw/zinc/52/34/10/569523410.db2.gz REIUITNIQGPRRB-CYBMUJFWSA-N 0 0 426.589 2.865 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccccc1NCc1ccco1 ZINC000009337188 569523518 /nfs/dbraw/zinc/52/35/18/569523518.db2.gz CIUBPNYGZQIRGE-OAQYLSRUSA-N 0 0 436.464 2.949 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H](C)c2cc(OC)ccc2OC)c1C ZINC000009336972 569523531 /nfs/dbraw/zinc/52/35/31/569523531.db2.gz KFHKKFFFHDWEOC-CYBMUJFWSA-N 0 0 432.473 2.860 50 0 IFAARN COc1cc(Br)c(CCNC(=O)c2n[nH]c(=O)c3ccccc32)cc1OC ZINC000009337133 569523539 /nfs/dbraw/zinc/52/35/39/569523539.db2.gz YEANDVPNCSQBSJ-UHFFFAOYSA-N 0 0 432.274 2.675 50 0 IFAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCSc2ccccc21 ZINC000009338986 569523733 /nfs/dbraw/zinc/52/37/33/569523733.db2.gz BTMFBDBJMGSKEI-MRXNPFEDSA-N 0 0 447.582 2.647 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)c1 ZINC000009340479 569523868 /nfs/dbraw/zinc/52/38/68/569523868.db2.gz YIZDFQHPOKSVMG-NAZDKBRTSA-N 0 0 448.475 2.797 50 0 IFAARN Cc1ccccc1NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009341629 569523905 /nfs/dbraw/zinc/52/39/05/569523905.db2.gz ICKYGUKORUPTNZ-UHFFFAOYSA-N 0 0 447.532 2.680 50 0 IFAARN O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000069925500 569523933 /nfs/dbraw/zinc/52/39/33/569523933.db2.gz RMLYAKXPLPRXMV-UHFFFAOYSA-N 0 0 446.511 2.990 50 0 IFAARN C[C@@H]1CCCCN1C(=O)CN1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000069930228 569524227 /nfs/dbraw/zinc/52/42/27/569524227.db2.gz IPVCHUMUUOMRIJ-ZJSXRUAMSA-N 0 0 426.605 2.759 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2c(=O)cnc3ccccc32)c1 ZINC000009349161 569524685 /nfs/dbraw/zinc/52/46/85/569524685.db2.gz XGMUHOTVUOYQFL-UHFFFAOYSA-N 0 0 448.932 2.719 50 0 IFAARN COc1ccc(-c2nc(SCC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n[nH]2)cc1 ZINC000009349241 569524709 /nfs/dbraw/zinc/52/47/09/569524709.db2.gz LTLOCPIVRDORQE-UHFFFAOYSA-N 0 0 432.527 2.851 50 0 IFAARN O=C(Nc1ccc2ccccc2n1)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000069968664 569525976 /nfs/dbraw/zinc/52/59/76/569525976.db2.gz RSDJKQUAXFPDRV-SFHVURJKSA-N 0 0 439.493 2.798 50 0 IFAARN CCCCn1c2ncn(CCC(C)C)c2c(=O)n(Cc2nnc(-c3ccco3)o2)c1=O ZINC000009366898 569526346 /nfs/dbraw/zinc/52/63/46/569526346.db2.gz MNDIWIRDHBCJOO-UHFFFAOYSA-N 0 0 426.477 2.897 50 0 IFAARN Cc1cccc(Nc2nnc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)s2)c1 ZINC000009367925 569526531 /nfs/dbraw/zinc/52/65/31/569526531.db2.gz HPNFCTBGTDZMMH-UHFFFAOYSA-N 0 0 445.570 2.870 50 0 IFAARN COc1ccc(C(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000009373454 569527047 /nfs/dbraw/zinc/52/70/47/569527047.db2.gz WVQZEWZSQHBFTO-UHFFFAOYSA-N 0 0 437.539 2.900 50 0 IFAARN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)c2c[nH]c3ccccc32)cc1 ZINC000009379007 569527709 /nfs/dbraw/zinc/52/77/09/569527709.db2.gz QZBJZKPNZBTNRE-YLJYHZDGSA-N 0 0 425.554 2.917 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)n2)cc1 ZINC000009378868 569527739 /nfs/dbraw/zinc/52/77/39/569527739.db2.gz OMZPGDGQIWSNCM-DEOSSOPVSA-N 0 0 443.511 2.962 50 0 IFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000009380986 569528055 /nfs/dbraw/zinc/52/80/55/569528055.db2.gz IZNYVMOETMQFSR-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000009390411 569528620 /nfs/dbraw/zinc/52/86/20/569528620.db2.gz URRYYBICTWUCLY-UHFFFAOYSA-N 0 0 431.448 2.576 50 0 IFAARN COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)(=O)C3)cc1OC ZINC000009391526 569528955 /nfs/dbraw/zinc/52/89/55/569528955.db2.gz AUPSLLOWNJUZEX-UHFFFAOYSA-N 0 0 427.482 2.879 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1)c1ccccc1 ZINC000009391648 569528962 /nfs/dbraw/zinc/52/89/62/569528962.db2.gz DHAQSDRMYVTXOT-MJGOQNOKSA-N 0 0 449.532 2.909 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3cccc(C)c3C)cc2C[C@H]1C ZINC000009396848 569529199 /nfs/dbraw/zinc/52/91/99/569529199.db2.gz XIHGPGFLDBGPMW-OAHLLOKOSA-N 0 0 429.542 2.860 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3cccc(Cl)c3)cc2C[C@@H]1C ZINC000009396830 569529210 /nfs/dbraw/zinc/52/92/10/569529210.db2.gz MRMRPYOWPXHWSB-ZDUSSCGKSA-N 0 0 435.933 2.897 50 0 IFAARN O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)N[C@H]1CCS(=O)(=O)C1 ZINC000009398862 569529299 /nfs/dbraw/zinc/52/92/99/569529299.db2.gz FCGSQOSSCYLUJK-INIZCTEOSA-N 0 0 442.468 2.501 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)c1cncc(Br)c1)CCC2 ZINC000009402831 569529426 /nfs/dbraw/zinc/52/94/26/569529426.db2.gz PWQHSYILTXCHSP-UHFFFAOYSA-N 0 0 439.287 2.976 50 0 IFAARN CC1CCN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 ZINC000009403512 569529497 /nfs/dbraw/zinc/52/94/97/569529497.db2.gz DWVCQQVZPYMHNX-UHFFFAOYSA-N 0 0 442.537 2.853 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3ccc(C)cc3)s2)cc1OC ZINC000009405029 569529754 /nfs/dbraw/zinc/52/97/54/569529754.db2.gz VDGDDWDKYLVKFX-UHFFFAOYSA-N 0 0 448.526 2.941 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3cccc(C)c3)s2)cc1OC ZINC000009405014 569529762 /nfs/dbraw/zinc/52/97/62/569529762.db2.gz PSLKPKWQDAHCCW-UHFFFAOYSA-N 0 0 448.526 2.941 50 0 IFAARN Cc1cc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccccc2Cl)n[nH]1 ZINC000009405127 569529807 /nfs/dbraw/zinc/52/98/07/569529807.db2.gz NLNKOZDRRIKVOZ-UHFFFAOYSA-N 0 0 441.904 2.651 50 0 IFAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc(S(=O)(=O)N3CCCC3)cn1C)CC2 ZINC000009405398 569529884 /nfs/dbraw/zinc/52/98/84/569529884.db2.gz ZRTSQZIFQLWEKR-HNNXBMFYSA-N 0 0 447.557 2.586 50 0 IFAARN COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC)cc3OC)[C@@H]4C2=O)c1 ZINC000009410010 569531198 /nfs/dbraw/zinc/53/11/98/569531198.db2.gz DAEUQYJMWHGXSC-UMCMBGNQSA-N 0 0 436.464 2.638 50 0 IFAARN COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC)cc3OC)[C@H]4C2=O)c1 ZINC000009410012 569531226 /nfs/dbraw/zinc/53/12/26/569531226.db2.gz DAEUQYJMWHGXSC-ZGDJDIHISA-N 0 0 436.464 2.638 50 0 IFAARN COc1ccc(Cn2nnnc2SCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000009414594 569531993 /nfs/dbraw/zinc/53/19/93/569531993.db2.gz KZSSRNQDXFNXPJ-UHFFFAOYSA-N 0 0 427.486 2.622 50 0 IFAARN CS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccccc2Cl)C1 ZINC000009421818 569532788 /nfs/dbraw/zinc/53/27/88/569532788.db2.gz YVZWEYLIQKZKBE-QGZVFWFLSA-N 0 0 427.935 2.822 50 0 IFAARN CCc1ccccc1-n1nnnc1SCC(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 ZINC000009429811 569533762 /nfs/dbraw/zinc/53/37/62/569533762.db2.gz PHJMYEHQOWCSOE-UHFFFAOYSA-N 0 0 434.525 2.817 50 0 IFAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)NCc3cccc(OC)c3)cc2NC1=O ZINC000009430144 569533908 /nfs/dbraw/zinc/53/39/08/569533908.db2.gz UCGNAVAVABNUOK-GOSISDBHSA-N 0 0 448.566 2.998 50 0 IFAARN CCn1c2nnc(CCCC(=O)NCc3ccccc3OC)n2c2ccsc2c1=O ZINC000009431378 569534162 /nfs/dbraw/zinc/53/41/62/569534162.db2.gz GLOUEOPXMDMRTO-UHFFFAOYSA-N 0 0 425.514 2.773 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4C)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 ZINC000009432084 569534395 /nfs/dbraw/zinc/53/43/95/569534395.db2.gz WNZKBVGVJPAPQM-CLAROIROSA-N 0 0 429.476 2.909 50 0 IFAARN CNC(=O)c1c2c(sc1NC(=O)c1nn(-c3ccc(F)cc3)ccc1=O)CCCC2 ZINC000009435794 569534914 /nfs/dbraw/zinc/53/49/14/569534914.db2.gz JMMKLEMAHPFQNQ-UHFFFAOYSA-N 0 0 426.473 2.924 50 0 IFAARN Cc1cc(F)ccc1NC(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000009440430 569535193 /nfs/dbraw/zinc/53/51/93/569535193.db2.gz PZUCUHYDQWLPDP-UHFFFAOYSA-N 0 0 426.853 2.921 50 0 IFAARN Cc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000009440789 569535229 /nfs/dbraw/zinc/53/52/29/569535229.db2.gz KXTZKCQUZQZECQ-HNNXBMFYSA-N 0 0 432.567 2.950 50 0 IFAARN CN(CCOc1ccccc1)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009441522 569535395 /nfs/dbraw/zinc/53/53/95/569535395.db2.gz LUAQRNIWCQYRBB-UHFFFAOYSA-N 0 0 431.558 2.811 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OCC ZINC000009442401 569535534 /nfs/dbraw/zinc/53/55/34/569535534.db2.gz NTQJUXOHSPVSMJ-UHFFFAOYSA-N 0 0 444.484 2.787 50 0 IFAARN O=C(COc1cccc(Cl)c1)OCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009445612 569535814 /nfs/dbraw/zinc/53/58/14/569535814.db2.gz JGOJNADYZASUHC-KRWDZBQOSA-N 0 0 443.949 2.610 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CSc1nc2ccccc2o1 ZINC000009449044 569536193 /nfs/dbraw/zinc/53/61/93/569536193.db2.gz XBCOYURHTAPHSK-HNNXBMFYSA-N 0 0 448.570 2.751 50 0 IFAARN Cc1c(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)c(=O)n(-c2ccccc2)n1C ZINC000009451063 569536338 /nfs/dbraw/zinc/53/63/38/569536338.db2.gz DNEPZIUHDBOKLQ-UHFFFAOYSA-N 0 0 435.480 2.534 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCCC3)CC2=O)cc1 ZINC000009453675 569536575 /nfs/dbraw/zinc/53/65/75/569536575.db2.gz YQNYRUPFDOLVNH-OFNKIYASSA-N 0 0 449.551 2.788 50 0 IFAARN CCOC(=O)c1c(NC(=O)Cn2c(=O)ccn(C)c2=O)sc(C)c1-c1ccc(C)cc1 ZINC000009461791 569537148 /nfs/dbraw/zinc/53/71/48/569537148.db2.gz YFHVMZSJVLHPJF-UHFFFAOYSA-N 0 0 441.509 2.708 50 0 IFAARN O=C(c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000009464027 569537588 /nfs/dbraw/zinc/53/75/88/569537588.db2.gz IMMQVXDEHMHZCF-FGZHOGPDSA-N 0 0 434.492 2.604 50 0 IFAARN CC(C)CCN1C(=O)c2ccc(C(=O)OCc3nc4ccsc4c(=O)[nH]3)cc2C1=O ZINC000009465186 569537900 /nfs/dbraw/zinc/53/79/00/569537900.db2.gz SGXSMTONFVJHLQ-UHFFFAOYSA-N 0 0 425.466 2.984 50 0 IFAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009466583 569538216 /nfs/dbraw/zinc/53/82/16/569538216.db2.gz QDCJPQSRZIVZLV-AWEZNQCLSA-N 0 0 436.946 2.924 50 0 IFAARN O=C(COC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(OC(F)F)cc1OC(F)F ZINC000009466445 569538224 /nfs/dbraw/zinc/53/82/24/569538224.db2.gz FDNSLBOZVROSEV-UHFFFAOYSA-N 0 0 440.309 2.905 50 0 IFAARN Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@@]3(C)CCS(=O)(=O)C3)n2n1 ZINC000009467250 569538400 /nfs/dbraw/zinc/53/84/00/569538400.db2.gz NTAGKEBCBNBKLG-NRFANRHFSA-N 0 0 444.582 2.799 50 0 IFAARN Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@]3(C)CCS(=O)(=O)C3)n2n1 ZINC000009467247 569538402 /nfs/dbraw/zinc/53/84/02/569538402.db2.gz NTAGKEBCBNBKLG-OAQYLSRUSA-N 0 0 444.582 2.799 50 0 IFAARN O=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009469572 569538787 /nfs/dbraw/zinc/53/87/87/569538787.db2.gz LPJNVXBSZQDMNZ-UHFFFAOYSA-N 0 0 435.590 2.760 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CSc3nnnn3C[C@H]3CCCO3)n2)cc1 ZINC000009478145 569539330 /nfs/dbraw/zinc/53/93/30/569539330.db2.gz XXWWJOUSXBQYOE-CQSZACIVSA-N 0 0 432.531 2.715 50 0 IFAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nc(N)cc(=O)[nH]1 ZINC000009478346 569539331 /nfs/dbraw/zinc/53/93/31/569539331.db2.gz XVLDZCNVUKSJMJ-UHFFFAOYSA-N 0 0 430.511 2.988 50 0 IFAARN C[C@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C(=O)Nc1cccc(F)c1 ZINC000009484603 569539514 /nfs/dbraw/zinc/53/95/14/569539514.db2.gz PHPRZZIHOKWKAJ-HNNXBMFYSA-N 0 0 437.475 2.802 50 0 IFAARN COc1ccc(OC)c(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)c1 ZINC000009490747 569540211 /nfs/dbraw/zinc/54/02/11/569540211.db2.gz XJKVUHKIEBMOOD-UHFFFAOYSA-N 0 0 437.481 2.857 50 0 IFAARN CCN(C(=O)COc1ncnc2sc(-c3ccccc3)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000009491386 569540355 /nfs/dbraw/zinc/54/03/55/569540355.db2.gz CWRSRIXXTABYDY-HNNXBMFYSA-N 0 0 431.539 2.773 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)N1CCCCCC1 ZINC000009491548 569540392 /nfs/dbraw/zinc/54/03/92/569540392.db2.gz DLKHCSBZGJBOAT-UHFFFAOYSA-N 0 0 427.478 2.623 50 0 IFAARN COc1ccc(NC(=O)c2ccc3ccccc3n2)cc1S(=O)(=O)N1CCOCC1 ZINC000009492905 569540613 /nfs/dbraw/zinc/54/06/13/569540613.db2.gz BLIOSFPDTJKJAF-UHFFFAOYSA-N 0 0 427.482 2.517 50 0 IFAARN CC(C)CCNC(=O)c1cnc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2c1O ZINC000009495434 569541101 /nfs/dbraw/zinc/54/11/01/569541101.db2.gz MKZMWQMSVKBEKU-IYBDPMFKSA-N 0 0 433.574 2.971 50 0 IFAARN O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009504178 569541839 /nfs/dbraw/zinc/54/18/39/569541839.db2.gz YNHGSNCCWRVSQO-UHFFFAOYSA-N 0 0 436.512 2.808 50 0 IFAARN CCCCn1c2nc(CCC(=O)Nc3nc(C)cs3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000009507228 569541959 /nfs/dbraw/zinc/54/19/59/569541959.db2.gz UGIDZTYEXCFPFW-UHFFFAOYSA-N 0 0 432.550 2.679 50 0 IFAARN O=C(COc1cccc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009507745 569542134 /nfs/dbraw/zinc/54/21/34/569542134.db2.gz ADPLGARUVJDRHO-UHFFFAOYSA-N 0 0 426.494 2.878 50 0 IFAARN CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(C(C)=O)c1 ZINC000009508552 569542348 /nfs/dbraw/zinc/54/23/48/569542348.db2.gz WJWFUEZSWSKKDC-QGZVFWFLSA-N 0 0 431.539 2.688 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009509498 569542573 /nfs/dbraw/zinc/54/25/73/569542573.db2.gz TXVAOAYRVPZBLL-APWZRJJASA-N 0 0 436.574 2.944 50 0 IFAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cccc(S(=O)(=O)N(C)C)c2)C1=O ZINC000009509449 569542591 /nfs/dbraw/zinc/54/25/91/569542591.db2.gz UMJIUDZVHOLPIB-FQEVSTJZSA-N 0 0 435.933 2.948 50 0 IFAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)c1ccccc1 ZINC000009510422 569542775 /nfs/dbraw/zinc/54/27/75/569542775.db2.gz PAAMENHQRHRYJB-HXUWFJFHSA-N 0 0 430.386 2.951 50 0 IFAARN Cc1ccc2nc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)cc(=O)n2c1 ZINC000009512222 569542942 /nfs/dbraw/zinc/54/29/42/569542942.db2.gz SBPVSUGAZRWPDX-UHFFFAOYSA-N 0 0 448.552 2.772 50 0 IFAARN CCOC(=O)c1oc2ccccc2c1Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O ZINC000009515640 569543353 /nfs/dbraw/zinc/54/33/53/569543353.db2.gz VJLDISYMAREMIJ-UHFFFAOYSA-N 0 0 430.482 2.604 50 0 IFAARN CCN(C(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)C1CCCCC1 ZINC000009518889 569544180 /nfs/dbraw/zinc/54/41/80/569544180.db2.gz GNEADBAJIKEORX-UHFFFAOYSA-N 0 0 425.529 2.864 50 0 IFAARN CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)N(C(C)C)C(C)C)c2ccccc21 ZINC000009519613 569544322 /nfs/dbraw/zinc/54/43/22/569544322.db2.gz HTGFCQLYXAMPGQ-UHFFFAOYSA-N 0 0 435.590 2.929 50 0 IFAARN Cc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 ZINC000009519618 569544331 /nfs/dbraw/zinc/54/43/31/569544331.db2.gz CBQXRMSFIHXGLZ-UHFFFAOYSA-N 0 0 439.537 2.985 50 0 IFAARN Cc1ccc2nc(NC(=O)CSc3nnc4[nH]c(=O)c5c(n43)CCCC5)sc2c1 ZINC000009520470 569544378 /nfs/dbraw/zinc/54/43/78/569544378.db2.gz LUPUCNNPLRSRRI-UHFFFAOYSA-N 0 0 426.527 2.945 50 0 IFAARN COc1cc(C(=O)N2CCC3(CC2)N=C(c2cccc(C)c2)C(=O)N3)cc(OC)c1OC ZINC000009526687 569544493 /nfs/dbraw/zinc/54/44/93/569544493.db2.gz BVJDESVXAQKKHK-UHFFFAOYSA-N 0 0 437.496 2.572 50 0 IFAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000009531837 569545219 /nfs/dbraw/zinc/54/52/19/569545219.db2.gz TZLZVRAUSSLJGW-UHFFFAOYSA-N 0 0 427.555 2.786 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000009538940 569545652 /nfs/dbraw/zinc/54/56/52/569545652.db2.gz KCESFEWUROKPJZ-UHFFFAOYSA-N 0 0 431.436 2.536 50 0 IFAARN Cn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1-c1ccc(Cl)cc1 ZINC000009540356 569545771 /nfs/dbraw/zinc/54/57/71/569545771.db2.gz NSKAWPVRJXQHHO-UHFFFAOYSA-N 0 0 437.934 2.514 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc(C(=O)OC)c1 ZINC000009543505 569545905 /nfs/dbraw/zinc/54/59/05/569545905.db2.gz WVXWLGWNKUTZKX-IBGZPJMESA-N 0 0 440.452 3.000 50 0 IFAARN COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4cc(=O)n5ccsc5n4)C3=O)ccc2c1 ZINC000009548991 569546567 /nfs/dbraw/zinc/54/65/67/569546567.db2.gz UYJZWFVASQEGTK-JOCHJYFZSA-N 0 0 434.477 2.885 50 0 IFAARN CCCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000009560770 569547116 /nfs/dbraw/zinc/54/71/16/569547116.db2.gz VDEVYNASAKGJOA-UHFFFAOYSA-N 0 0 429.454 2.861 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000009561871 569547194 /nfs/dbraw/zinc/54/71/94/569547194.db2.gz MLCGEXAPPSPVOE-LJQANCHMSA-N 0 0 449.484 2.578 50 0 IFAARN O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000009562312 569547257 /nfs/dbraw/zinc/54/72/57/569547257.db2.gz KBOJSSBJGVWVHX-UHFFFAOYSA-N 0 0 428.438 2.837 50 0 IFAARN CCn1cnc2c1c(=O)n(CC(=O)Nc1c(C)cc(C)cc1C)c(=O)n2Cc1ccccc1 ZINC000009562806 569547328 /nfs/dbraw/zinc/54/73/28/569547328.db2.gz HHCNIIARXDKORN-UHFFFAOYSA-N 0 0 445.523 2.992 50 0 IFAARN Cc1cc2ccccc2n1CCNC(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009568804 569547407 /nfs/dbraw/zinc/54/74/07/569547407.db2.gz DGMFRABJBCYXNO-SFHVURJKSA-N 0 0 434.496 2.826 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1C ZINC000009569134 569547583 /nfs/dbraw/zinc/54/75/83/569547583.db2.gz KSNATEZIDRCIJY-UHFFFAOYSA-N 0 0 430.935 2.998 50 0 IFAARN O=C(CSc1nnc2n1CCN2c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 ZINC000009573996 569547884 /nfs/dbraw/zinc/54/78/84/569547884.db2.gz ZJCJNIIOOJSAIZ-UHFFFAOYSA-N 0 0 427.461 2.706 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nnc3n2CCN3c2ccccc2)cc1OC ZINC000009573931 569547897 /nfs/dbraw/zinc/54/78/97/569547897.db2.gz XFWZIHOIGCDRBP-UHFFFAOYSA-N 0 0 439.541 2.898 50 0 IFAARN C[C@]1(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)CCS(=O)(=O)C1 ZINC000009575869 569547980 /nfs/dbraw/zinc/54/79/80/569547980.db2.gz HRNYPOTZKHPHSC-FQEVSTJZSA-N 0 0 436.530 2.864 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@](NC(=O)CCc3ccccc3)(C(F)(F)F)C2=O)cc1 ZINC000009575882 569548013 /nfs/dbraw/zinc/54/80/13/569548013.db2.gz PHLSDNWNSVMFRO-HXUWFJFHSA-N 0 0 435.402 2.959 50 0 IFAARN Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)C(=O)N(CCc4cccs4)C3=O)c2C)no1 ZINC000009580279 569548781 /nfs/dbraw/zinc/54/87/81/569548781.db2.gz DKDCWGUCNAUJHZ-UHFFFAOYSA-N 0 0 440.481 2.668 50 0 IFAARN O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009580483 569548801 /nfs/dbraw/zinc/54/88/01/569548801.db2.gz CKHDWJCQYAHNAX-OAHLLOKOSA-N 0 0 433.559 2.987 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000070637593 569548948 /nfs/dbraw/zinc/54/89/48/569548948.db2.gz JPPNVGOZMPOMDD-UHFFFAOYSA-N 0 0 436.537 2.656 50 0 IFAARN O=C(COc1ccccc1F)N1CC(C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000070637479 569548973 /nfs/dbraw/zinc/54/89/73/569548973.db2.gz DGJPDYSQMJNOAS-UHFFFAOYSA-N 0 0 426.366 2.878 50 0 IFAARN O=C(CN1CCc2nc(NC(=O)c3ccco3)sc2C1)Nc1ccc2c(c1)OCCO2 ZINC000070638561 569549010 /nfs/dbraw/zinc/54/90/10/569549010.db2.gz BEKNSIZHQIEYLM-UHFFFAOYSA-N 0 0 440.481 2.756 50 0 IFAARN COc1ccccc1CCNC(=O)[C@H]1CCCN(c2cc(-n3nc(C)cc3C)ncn2)C1 ZINC000070656070 569550117 /nfs/dbraw/zinc/55/01/17/569550117.db2.gz GNKJSDWPUSKFOB-FQEVSTJZSA-N 0 0 434.544 2.863 50 0 IFAARN COc1cccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(=O)OC(C)C)cc3)C2=O)c1 ZINC000009592009 569550288 /nfs/dbraw/zinc/55/02/88/569550288.db2.gz QWCQMVYRSFYKEI-QHCPKHFHSA-N 0 0 439.468 2.666 50 0 IFAARN CCOC(=O)N1CCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)CC1 ZINC000009598545 569551013 /nfs/dbraw/zinc/55/10/13/569551013.db2.gz AYQXNNKSDPYHLY-VXKWHMMOSA-N 0 0 433.508 2.824 50 0 IFAARN COc1cc(OC)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3)c2=O)c1 ZINC000009598860 569551088 /nfs/dbraw/zinc/55/10/88/569551088.db2.gz MZLMRZLSGFYAFW-UHFFFAOYSA-N 0 0 437.477 2.870 50 0 IFAARN O=C(CSc1nnc(NC(=O)Cc2ccccc2)s1)NCc1ccc2c(c1)OCO2 ZINC000009600057 569551405 /nfs/dbraw/zinc/55/14/05/569551405.db2.gz LSXWAFWRWDZXJF-UHFFFAOYSA-N 0 0 442.522 2.857 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nc(N)n[nH]1)CC2 ZINC000009607301 569552002 /nfs/dbraw/zinc/55/20/02/569552002.db2.gz NSBDUUYWAJNHLF-LJQANCHMSA-N 0 0 425.514 2.671 50 0 IFAARN COc1ccc(COC(=O)C2C(C)=Nc3nnnn3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009608716 569552212 /nfs/dbraw/zinc/55/22/12/569552212.db2.gz JYPUYUIVGLPXOB-HXUWFJFHSA-N 0 0 437.456 2.731 50 0 IFAARN CCOC(=O)CNC(=O)CSc1nnc(Cc2cccn2C)n1-c1cccc(C)c1C ZINC000009611589 569552773 /nfs/dbraw/zinc/55/27/73/569552773.db2.gz SGETVQFUFOYADM-UHFFFAOYSA-N 0 0 441.557 2.585 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000009613004 569552961 /nfs/dbraw/zinc/55/29/61/569552961.db2.gz MKSHVZQOMIQGIN-KNQAVFIVSA-N 0 0 444.553 2.955 50 0 IFAARN CCCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000009613979 569553089 /nfs/dbraw/zinc/55/30/89/569553089.db2.gz OVTOOPWAKRWZOG-AEFFLSMTSA-N 0 0 426.966 2.618 50 0 IFAARN O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000009618705 569553345 /nfs/dbraw/zinc/55/33/45/569553345.db2.gz FXOKTESUYPDVPG-INIZCTEOSA-N 0 0 445.516 2.757 50 0 IFAARN COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)sc2c1CCCCC2 ZINC000009632697 569554074 /nfs/dbraw/zinc/55/40/74/569554074.db2.gz MVXWVCPXAALLQK-UHFFFAOYSA-N 0 0 448.522 2.587 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000009633761 569554351 /nfs/dbraw/zinc/55/43/51/569554351.db2.gz XWLRWGBDKPVMLL-SFHVURJKSA-N 0 0 432.498 2.648 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccccc2)cc1 ZINC000009635070 569554536 /nfs/dbraw/zinc/55/45/36/569554536.db2.gz ARUVSVRWSLSBQN-UHFFFAOYSA-N 0 0 441.509 2.745 50 0 IFAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000009634940 569554573 /nfs/dbraw/zinc/55/45/73/569554573.db2.gz QTGSGPCILRLPJV-HNNXBMFYSA-N 0 0 436.555 2.649 50 0 IFAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)[C@H]1COc2ccccc2O1 ZINC000009639205 569555163 /nfs/dbraw/zinc/55/51/63/569555163.db2.gz TWWFDBKIZNJPJN-CQSZACIVSA-N 0 0 435.454 2.567 50 0 IFAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000009643053 569555881 /nfs/dbraw/zinc/55/58/81/569555881.db2.gz BIVUSXXBHLIFJL-INIZCTEOSA-N 0 0 440.554 2.908 50 0 IFAARN CCOC(=O)C1=C(COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)NC(=O)N[C@H]1c1ccccc1 ZINC000009643352 569555951 /nfs/dbraw/zinc/55/59/51/569555951.db2.gz IIIXHIULNZEWBX-YLPFRIKTSA-N 0 0 440.496 2.796 50 0 IFAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000009644568 569556042 /nfs/dbraw/zinc/55/60/42/569556042.db2.gz AZDYCXGFOKDRPP-UHFFFAOYSA-N 0 0 440.529 2.523 50 0 IFAARN COc1cc(OC)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000009646191 569556295 /nfs/dbraw/zinc/55/62/95/569556295.db2.gz JEGDMUPXDCJXTE-HNNXBMFYSA-N 0 0 434.514 2.894 50 0 IFAARN COc1cccc(CNC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)c1 ZINC000009659338 569556652 /nfs/dbraw/zinc/55/66/52/569556652.db2.gz BHUXGVUVAKNBIZ-UHFFFAOYSA-N 0 0 425.466 2.992 50 0 IFAARN CCc1c(C)nc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)[nH]c1=O ZINC000009660399 569556802 /nfs/dbraw/zinc/55/68/02/569556802.db2.gz UWSDWUQEQHCMTB-QGZVFWFLSA-N 0 0 448.527 2.743 50 0 IFAARN COc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000009660650 569556864 /nfs/dbraw/zinc/55/68/64/569556864.db2.gz LAQMCDNZQWXMJU-UHFFFAOYSA-N 0 0 430.464 2.562 50 0 IFAARN O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21)Nc1ccc(F)cc1F ZINC000009660732 569556942 /nfs/dbraw/zinc/55/69/42/569556942.db2.gz GBRIYMXVPLGUSS-UHFFFAOYSA-N 0 0 436.418 2.718 50 0 IFAARN CN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009662621 569557139 /nfs/dbraw/zinc/55/71/39/569557139.db2.gz RNVYWQSYXPMKRF-SFHVURJKSA-N 0 0 442.566 2.672 50 0 IFAARN COc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCCC1 ZINC000009662575 569557146 /nfs/dbraw/zinc/55/71/46/569557146.db2.gz ONDSYBOBTBZUHD-UHFFFAOYSA-N 0 0 446.525 2.822 50 0 IFAARN Cc1ccc(-c2csc3[nH]c(CSc4nnc(CCC(N)=O)n4C)nc(=O)c23)s1 ZINC000009666488 569557728 /nfs/dbraw/zinc/55/77/28/569557728.db2.gz WPQULEPRLDRREV-UHFFFAOYSA-N 0 0 446.583 2.860 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000009667901 569557877 /nfs/dbraw/zinc/55/78/77/569557877.db2.gz CDMAXQMCFNKRTQ-OAQYLSRUSA-N 0 0 437.521 2.622 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000009670052 569558250 /nfs/dbraw/zinc/55/82/50/569558250.db2.gz MWPJFYBNWMIHGM-SNVBAGLBSA-N 0 0 439.950 2.871 50 0 IFAARN CCCCn1c(CSc2nnc(C(F)(F)F)n2C)nc2cc(S(N)(=O)=O)ccc21 ZINC000009670617 569558334 /nfs/dbraw/zinc/55/83/34/569558334.db2.gz YYNIREIDPJLYQT-UHFFFAOYSA-N 0 0 448.496 2.923 50 0 IFAARN O=C(COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC(=O)Cc1ccccc1 ZINC000009670447 569558364 /nfs/dbraw/zinc/55/83/64/569558364.db2.gz JHUOFDAQNSCSOT-QFIPXVFZSA-N 0 0 444.487 2.977 50 0 IFAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009671992 569558683 /nfs/dbraw/zinc/55/86/83/569558683.db2.gz ZBXRJIHPGDOENY-MRXNPFEDSA-N 0 0 429.542 2.635 50 0 IFAARN Cc1cc(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2ccccc12 ZINC000009672700 569558861 /nfs/dbraw/zinc/55/88/61/569558861.db2.gz DKWCSEGHEGZSTA-DLBZAZTESA-N 0 0 434.583 2.830 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)cc2C[C@H]1C ZINC000009677069 569559517 /nfs/dbraw/zinc/55/95/17/569559517.db2.gz WPKGYNOPFPMPJN-OAHLLOKOSA-N 0 0 432.517 2.994 50 0 IFAARN COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000009677370 569559539 /nfs/dbraw/zinc/55/95/39/569559539.db2.gz OYMCPUMZPXFBKE-UHFFFAOYSA-N 0 0 432.527 2.739 50 0 IFAARN C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009683387 569560383 /nfs/dbraw/zinc/56/03/83/569560383.db2.gz XTEUSPREPPZCCG-OAHLLOKOSA-N 0 0 446.617 2.777 50 0 IFAARN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 ZINC000009688622 569560821 /nfs/dbraw/zinc/56/08/21/569560821.db2.gz KJZDTLGFKGKXFR-UHFFFAOYSA-N 0 0 447.538 2.882 50 0 IFAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)NCCc2ccc3c(c2)OCCO3)c1 ZINC000009689780 569560868 /nfs/dbraw/zinc/56/08/68/569560868.db2.gz APZRTYFWPLGDLS-UHFFFAOYSA-N 0 0 425.514 2.501 50 0 IFAARN C[C@@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)C1 ZINC000009692312 569561047 /nfs/dbraw/zinc/56/10/47/569561047.db2.gz BCOAXJXRPNPEAS-GASCZTMLSA-N 0 0 429.952 2.613 50 0 IFAARN COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000009702570 569561284 /nfs/dbraw/zinc/56/12/84/569561284.db2.gz UHPXMAKOHYEXFC-UHFFFAOYSA-N 0 0 445.781 2.674 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2F)C1=O ZINC000009704029 569561396 /nfs/dbraw/zinc/56/13/96/569561396.db2.gz JBMAICJYKHHIMY-FQEVSTJZSA-N 0 0 433.823 2.656 50 0 IFAARN Cc1ccccc1CN1N=C(c2ccc(Cl)cc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000009707486 569561534 /nfs/dbraw/zinc/56/15/34/569561534.db2.gz SSFFEOCMPXFLHW-UHFFFAOYSA-N 0 0 448.914 2.820 50 0 IFAARN CCn1c(CSc2nnc(C)n2C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009714823 569562831 /nfs/dbraw/zinc/56/28/31/569562831.db2.gz CCVJRZKKJBUYIN-UHFFFAOYSA-N 0 0 434.591 2.960 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3sccc3C(N)=O)c2)cc1 ZINC000009714877 569562973 /nfs/dbraw/zinc/56/29/73/569562973.db2.gz SJTZRWYAYSMPPO-UHFFFAOYSA-N 0 0 431.495 2.909 50 0 IFAARN CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009715180 569563030 /nfs/dbraw/zinc/56/30/30/569563030.db2.gz QKDXYXJLIBWZFA-MRXNPFEDSA-N 0 0 446.554 2.655 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2c(F)cccc2Cl)cc1 ZINC000009720601 569563310 /nfs/dbraw/zinc/56/33/10/569563310.db2.gz YZDDEHQNMIDZJF-UHFFFAOYSA-N 0 0 440.924 2.837 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O)c1cc2ccccc2o1 ZINC000009725064 569563782 /nfs/dbraw/zinc/56/37/82/569563782.db2.gz XPIZDGFZLPKVQY-CYBMUJFWSA-N 0 0 425.466 2.705 50 0 IFAARN CCn1cc(C(=O)NCc2ccccc2Cl)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009725529 569563831 /nfs/dbraw/zinc/56/38/31/569563831.db2.gz WGHISDHXMYCAQD-UHFFFAOYSA-N 0 0 447.944 2.855 50 0 IFAARN CCn1cc(C(=O)NC2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009725864 569563868 /nfs/dbraw/zinc/56/38/68/569563868.db2.gz WDVNKQWZHRCUHY-UHFFFAOYSA-N 0 0 431.558 2.868 50 0 IFAARN Cc1cccc(CN2CCCN(CC(=O)N[C@@H](C)CCc3ccccc3)S2(=O)=O)c1 ZINC000009726345 569563885 /nfs/dbraw/zinc/56/38/85/569563885.db2.gz LINFJPNPQYRZQG-FQEVSTJZSA-N 0 0 429.586 2.885 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCCCc4ccccc4)nc(C)n3n2)cc1 ZINC000009727834 569564068 /nfs/dbraw/zinc/56/40/68/569564068.db2.gz FAJIONKZTVNAMT-UHFFFAOYSA-N 0 0 431.496 2.624 50 0 IFAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000009731558 569564639 /nfs/dbraw/zinc/56/46/39/569564639.db2.gz YNQUDYHZVYWBDF-ZDUSSCGKSA-N 0 0 428.967 2.662 50 0 IFAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000009733744 569564747 /nfs/dbraw/zinc/56/47/47/569564747.db2.gz GWEUNFGQVWJZKB-AWEZNQCLSA-N 0 0 441.550 2.811 50 0 IFAARN COc1ccc(-n2c3nc(-c4cccc(Cl)c4)nc(C(N)=O)c3[nH]c2=O)cc1OC ZINC000009739334 569565032 /nfs/dbraw/zinc/56/50/32/569565032.db2.gz MTKYGGAQBOYZSS-UHFFFAOYSA-N 0 0 425.832 2.545 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2cccs2)cc1 ZINC000009741197 569565210 /nfs/dbraw/zinc/56/52/10/569565210.db2.gz NNWJBMAVZHYBOV-INIZCTEOSA-N 0 0 427.525 2.843 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)Nc1ccccc1F ZINC000009741317 569565236 /nfs/dbraw/zinc/56/52/36/569565236.db2.gz AXCVXLRDVTWJBG-HXUWFJFHSA-N 0 0 431.489 2.527 50 0 IFAARN CCc1ccccc1NC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCCC3)ccc2N1C(C)=O ZINC000009741307 569565258 /nfs/dbraw/zinc/56/52/58/569565258.db2.gz PKBUXZHHUZVWSQ-QFIPXVFZSA-N 0 0 441.553 2.950 50 0 IFAARN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000009742214 569565392 /nfs/dbraw/zinc/56/53/92/569565392.db2.gz VBKWLCALRJATPS-MRXNPFEDSA-N 0 0 428.539 2.848 50 0 IFAARN Cc1cccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000009743857 569565544 /nfs/dbraw/zinc/56/55/44/569565544.db2.gz JENOBIYPRZJOTH-IBGZPJMESA-N 0 0 447.532 2.822 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2cccc(C)c2)cc1 ZINC000009744743 569565566 /nfs/dbraw/zinc/56/55/66/569565566.db2.gz LTWHBRWUEDTLCR-HXUWFJFHSA-N 0 0 443.569 2.992 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCS[C@H]1c1ccccc1F ZINC000009744570 569565573 /nfs/dbraw/zinc/56/55/73/569565573.db2.gz KIPXKYXGPVTHDG-UGKGYDQZSA-N 0 0 425.485 2.793 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NC2CCCC2)c(C)c1 ZINC000009745804 569565714 /nfs/dbraw/zinc/56/57/14/569565714.db2.gz DAVDATFMTMFDGA-HXUWFJFHSA-N 0 0 449.617 2.720 50 0 IFAARN Cc1cccnc1NC(=O)CCc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn21 ZINC000009745987 569565727 /nfs/dbraw/zinc/56/57/27/569565727.db2.gz WEBNZVQIBHEXEZ-UHFFFAOYSA-N 0 0 431.456 2.740 50 0 IFAARN CCCCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000009745930 569565739 /nfs/dbraw/zinc/56/57/39/569565739.db2.gz FNDQXZMEKAYMLO-IBGZPJMESA-N 0 0 437.606 2.578 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 ZINC000009746549 569565775 /nfs/dbraw/zinc/56/57/75/569565775.db2.gz KGGVJTYEOILISI-QGZVFWFLSA-N 0 0 435.571 2.745 50 0 IFAARN COC(=O)c1ccc(NC(=O)c2nnn(Cc3cccc(Br)c3)c2N)cc1 ZINC000009749034 569565956 /nfs/dbraw/zinc/56/59/56/569565956.db2.gz PWTCIXHLDMPTCE-UHFFFAOYSA-N 0 0 430.262 2.710 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1CN1CCc2ccccc21 ZINC000009754547 569566146 /nfs/dbraw/zinc/56/61/46/569566146.db2.gz GAFJOKCQXRZRSN-UHFFFAOYSA-N 0 0 426.542 2.640 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000009761850 569566325 /nfs/dbraw/zinc/56/63/25/569566325.db2.gz LSIJWPVCLFMKRV-UHFFFAOYSA-N 0 0 435.436 2.629 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccc(F)c(F)c1 ZINC000009761908 569566347 /nfs/dbraw/zinc/56/63/47/569566347.db2.gz WYXIJRUBAZBLMC-UHFFFAOYSA-N 0 0 429.379 2.705 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccc(C)c(F)c1 ZINC000009761903 569566372 /nfs/dbraw/zinc/56/63/72/569566372.db2.gz CVGMWJWMICIYQM-UHFFFAOYSA-N 0 0 425.416 2.874 50 0 IFAARN O=C(NC1CCCC1)c1nnn(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)n1 ZINC000071003568 569566596 /nfs/dbraw/zinc/56/65/96/569566596.db2.gz DVFLAXDDEXEDDK-UHFFFAOYSA-N 0 0 446.920 2.789 50 0 IFAARN CCCCN(C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)c1nc2ccccc2s1 ZINC000009766610 569566876 /nfs/dbraw/zinc/56/68/76/569566876.db2.gz MFDVVLUDGHAIKR-UHFFFAOYSA-N 0 0 435.509 2.938 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(OC)cc2F)NC(=O)N[C@H]1c1ccccc1 ZINC000009777494 569567145 /nfs/dbraw/zinc/56/71/45/569567145.db2.gz HZMINWVWKIVQSS-IBGZPJMESA-N 0 0 428.416 2.862 50 0 IFAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009779330 569567378 /nfs/dbraw/zinc/56/73/78/569567378.db2.gz DGYNNLVMWCIKHR-UHFFFAOYSA-N 0 0 430.526 2.905 50 0 IFAARN CCCCCn1nc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)OC)c2ccccc2c1=O ZINC000009781765 569567631 /nfs/dbraw/zinc/56/76/31/569567631.db2.gz LPFWAJWVDQXUIM-HXUWFJFHSA-N 0 0 437.496 2.806 50 0 IFAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1=O ZINC000009783221 569567815 /nfs/dbraw/zinc/56/78/15/569567815.db2.gz KEXHFAZYDLLCFR-VOIUYBSRSA-N 0 0 437.496 2.882 50 0 IFAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000009789392 569568095 /nfs/dbraw/zinc/56/80/95/569568095.db2.gz ISNCNAONVMOHRM-UHFFFAOYSA-N 0 0 426.893 2.936 50 0 IFAARN CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000009791388 569568223 /nfs/dbraw/zinc/56/82/23/569568223.db2.gz HBRDXVCHXGNFBI-VBKZILBWSA-N 0 0 433.530 2.863 50 0 IFAARN CC(C)[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccc2c(c1)OCCO2 ZINC000009793394 569568312 /nfs/dbraw/zinc/56/83/12/569568312.db2.gz YCJVDJOMWYUMRJ-OAQYLSRUSA-N 0 0 447.557 2.905 50 0 IFAARN Nc1c(N(Cc2ccco2)C(=O)Cc2ccccc2F)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000009796536 569568438 /nfs/dbraw/zinc/56/84/38/569568438.db2.gz WNWZHARNJXPZTK-UHFFFAOYSA-N 0 0 448.454 2.675 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000009806272 569568868 /nfs/dbraw/zinc/56/88/68/569568868.db2.gz CBKPCFROIDXHCH-LJQANCHMSA-N 0 0 429.542 2.520 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(C)c2C)cc1 ZINC000009806244 569568897 /nfs/dbraw/zinc/56/88/97/569568897.db2.gz NJQVHULUFJTKAJ-GOSISDBHSA-N 0 0 429.542 2.520 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009806134 569568905 /nfs/dbraw/zinc/56/89/05/569568905.db2.gz SXAYTNWKNRMNJN-QGZVFWFLSA-N 0 0 435.933 2.556 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2c(C)cccc2C)cc1 ZINC000009806250 569568916 /nfs/dbraw/zinc/56/89/16/569568916.db2.gz FSAWJYYJBAHSAQ-GOSISDBHSA-N 0 0 429.542 2.520 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000009807150 569568976 /nfs/dbraw/zinc/56/89/76/569568976.db2.gz NMDNXAPACJQBRB-HXUWFJFHSA-N 0 0 443.569 2.828 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2Cl)c1 ZINC000009807424 569569006 /nfs/dbraw/zinc/56/90/06/569569006.db2.gz GLWYIZCMOTWYNV-MRXNPFEDSA-N 0 0 449.960 2.865 50 0 IFAARN O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccccc1C(=O)NC1CC1 ZINC000009818309 569569324 /nfs/dbraw/zinc/56/93/24/569569324.db2.gz BCLITOGGCSSUQM-UHFFFAOYSA-N 0 0 428.905 2.939 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC(=O)Nc2cccc(C)c2C)cc1 ZINC000009822331 569569532 /nfs/dbraw/zinc/56/95/32/569569532.db2.gz LQLJJQDRLGYXQX-OAQYLSRUSA-N 0 0 443.569 2.910 50 0 IFAARN CC(C)NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000009827448 569569664 /nfs/dbraw/zinc/56/96/64/569569664.db2.gz MZZCAUFANYXCSR-UHFFFAOYSA-N 0 0 430.452 2.650 50 0 IFAARN CCN1CCOc2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc2C1=O ZINC000009828222 569569777 /nfs/dbraw/zinc/56/97/77/569569777.db2.gz WWEFGUMLDRENPC-UHFFFAOYSA-N 0 0 431.514 2.936 50 0 IFAARN COC(=O)c1ccc(NC(=O)C[S@@](=O)c2ncc(-c3ccc(OC)cc3)n2C)cc1 ZINC000009828759 569569864 /nfs/dbraw/zinc/56/98/64/569569864.db2.gz RCNLIVPZKVIOSK-PMERELPUSA-N 0 0 427.482 2.629 50 0 IFAARN COc1ccc(-n2c(C)cn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c(OC)c1 ZINC000009829394 569570041 /nfs/dbraw/zinc/57/00/41/569570041.db2.gz NBCVAODGGWNNPF-UHFFFAOYSA-N 0 0 445.479 2.513 50 0 IFAARN O=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000009844619 569570920 /nfs/dbraw/zinc/57/09/20/569570920.db2.gz UXFWJFVCFKOTGO-UHFFFAOYSA-N 0 0 427.501 2.907 50 0 IFAARN CCOc1ccccc1OC[C@H](O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000009849437 569571339 /nfs/dbraw/zinc/57/13/39/569571339.db2.gz PIFMYRDXXMJVCT-OAHLLOKOSA-N 0 0 444.347 2.908 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000009852859 569571456 /nfs/dbraw/zinc/57/14/56/569571456.db2.gz JOOMUGJYKYAKFU-UHFFFAOYSA-N 0 0 433.461 2.657 50 0 IFAARN Cc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1 ZINC000009860694 569571892 /nfs/dbraw/zinc/57/18/92/569571892.db2.gz JHMUMASOYFUPKC-PMACEKPBSA-N 0 0 443.594 2.956 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cccc(NC(C)=O)c2)NC(=O)N[C@H]1c1ccccc1 ZINC000009865201 569572166 /nfs/dbraw/zinc/57/21/66/569572166.db2.gz XMXKDUMLYQOFIZ-FQEVSTJZSA-N 0 0 437.452 2.673 50 0 IFAARN O=C(NCCc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009867648 569572280 /nfs/dbraw/zinc/57/22/80/569572280.db2.gz YRMBVOOEHDVCLC-UHFFFAOYSA-N 0 0 425.913 2.738 50 0 IFAARN COc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000009885405 569572918 /nfs/dbraw/zinc/57/29/18/569572918.db2.gz ZIRMMYSTOYEMQI-UHFFFAOYSA-N 0 0 442.541 2.650 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000009892637 569573006 /nfs/dbraw/zinc/57/30/06/569573006.db2.gz NNHZFBOYHRJWKP-UHFFFAOYSA-N 0 0 445.368 2.991 50 0 IFAARN COC(=O)CC1CCN(C(=O)c2csc(NCc3ccc(-n4cncn4)cc3)n2)CC1 ZINC000071282176 569573710 /nfs/dbraw/zinc/57/37/10/569573710.db2.gz JEWGCCQWPFGVKI-UHFFFAOYSA-N 0 0 440.529 2.751 50 0 IFAARN CCc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(OC)c(Cl)c3)c2N)cc1 ZINC000009938509 569573882 /nfs/dbraw/zinc/57/38/82/569573882.db2.gz XSHIAJQHHFJGOD-UHFFFAOYSA-N 0 0 428.880 2.976 50 0 IFAARN CSc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000009948856 569574148 /nfs/dbraw/zinc/57/41/48/569574148.db2.gz GIGUTJWLUNGVCX-QFIPXVFZSA-N 0 0 441.509 2.976 50 0 IFAARN COc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccc(SC)cc3)NC2=O)cc1 ZINC000071326822 569575000 /nfs/dbraw/zinc/57/50/00/569575000.db2.gz MZTAGCOFNFLMNP-FQEVSTJZSA-N 0 0 439.493 2.933 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000009959609 569575170 /nfs/dbraw/zinc/57/51/70/569575170.db2.gz MDIVJUZJZCDYOM-OAHLLOKOSA-N 0 0 433.530 2.846 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)c1 ZINC000071327426 569575253 /nfs/dbraw/zinc/57/52/53/569575253.db2.gz NSWIBNYOWMMOFD-UHFFFAOYSA-N 0 0 427.436 2.942 50 0 IFAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(OC)ccc3OC)c2C)cc1 ZINC000071327424 569575280 /nfs/dbraw/zinc/57/52/80/569575280.db2.gz OERFJPNROHCSLD-UHFFFAOYSA-N 0 0 439.472 2.893 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c1 ZINC000071328275 569575524 /nfs/dbraw/zinc/57/55/24/569575524.db2.gz YFQVOYNMFHTEBH-UHFFFAOYSA-N 0 0 435.440 2.719 50 0 IFAARN COc1ccccc1CCC(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000009961322 569575578 /nfs/dbraw/zinc/57/55/78/569575578.db2.gz IDDZEADARMXENE-INIZCTEOSA-N 0 0 448.541 2.885 50 0 IFAARN O=C(Nc1nnc([C@H]2CCCO2)s1)[C@@H](Cc1ccccc1)NC(=O)N1CCSCC1 ZINC000071328890 569575587 /nfs/dbraw/zinc/57/55/87/569575587.db2.gz HRBKTQUEPKYOCC-HZPDHXFCSA-N 0 0 447.586 2.698 50 0 IFAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000009963319 569575722 /nfs/dbraw/zinc/57/57/22/569575722.db2.gz MSAFESFZHRUVHT-UHFFFAOYSA-N 0 0 433.392 2.778 50 0 IFAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)NCc2ccc(Cl)cc2)c1 ZINC000009963506 569575802 /nfs/dbraw/zinc/57/58/02/569575802.db2.gz BYTFBBMJYNQBNH-UHFFFAOYSA-N 0 0 445.932 2.884 50 0 IFAARN Nn1c(COc2ccccc2F)nnc1SCC(=O)N[C@H]1CCCc2ccccc21 ZINC000009963987 569575932 /nfs/dbraw/zinc/57/59/32/569575932.db2.gz AWULMWJLOSSCQD-KRWDZBQOSA-N 0 0 427.505 2.996 50 0 IFAARN COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc1 ZINC000009974516 569576364 /nfs/dbraw/zinc/57/63/64/569576364.db2.gz QMDYAHKJMJHKPJ-IBGZPJMESA-N 0 0 446.569 2.772 50 0 IFAARN Cc1ccc(OCCOC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000009980968 569576481 /nfs/dbraw/zinc/57/64/81/569576481.db2.gz GRQZBZXGQQXEAM-UHFFFAOYSA-N 0 0 428.510 2.778 50 0 IFAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)cc2)n1 ZINC000010021952 569577240 /nfs/dbraw/zinc/57/72/40/569577240.db2.gz VNXIFXFIQHMKKV-UHFFFAOYSA-N 0 0 438.459 2.882 50 0 IFAARN C[C@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000010147314 569578097 /nfs/dbraw/zinc/57/80/97/569578097.db2.gz BNRDNCQINRRFLP-LBPRGKRZSA-N 0 0 442.946 2.791 50 0 IFAARN COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(Cl)cc1Cl)C(C(=O)OC)=C(N)O2 ZINC000010166049 569578182 /nfs/dbraw/zinc/57/81/82/569578182.db2.gz DIYCEQIDQSUAHA-OAHLLOKOSA-N 0 0 439.295 2.978 50 0 IFAARN CSc1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000010185577 569578294 /nfs/dbraw/zinc/57/82/94/569578294.db2.gz NKLACIQAFAICPP-UHFFFAOYSA-N 0 0 445.610 2.842 50 0 IFAARN COc1ccc(N2C(=O)C[C@H](N(C)CC(=O)Nc3ccccc3Cl)C2=O)c(OC)c1 ZINC000010168013 569578319 /nfs/dbraw/zinc/57/83/19/569578319.db2.gz ZJYOQDKWXXDJQV-KRWDZBQOSA-N 0 0 431.876 2.560 50 0 IFAARN NC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc2c1CCCC2 ZINC000010186975 569578548 /nfs/dbraw/zinc/57/85/48/569578548.db2.gz BDWYAZASZZRBOS-LBPRGKRZSA-N 0 0 439.584 2.579 50 0 IFAARN Cc1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(C(N)=O)c1C ZINC000010187248 569578575 /nfs/dbraw/zinc/57/85/75/569578575.db2.gz ZMRDEOOCVQUHET-JTQLQIEISA-N 0 0 447.991 2.971 50 0 IFAARN CCOc1ccc2nc(NC(=O)[C@H](C)N3C(=O)c4ccccc4S3(=O)=O)sc2c1 ZINC000010188069 569578788 /nfs/dbraw/zinc/57/87/88/569578788.db2.gz XDBGYLBFUSLWMW-NSHDSACASA-N 0 0 431.495 2.867 50 0 IFAARN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C[C@H](NC(N)=O)c2ccccc2)cc1 ZINC000010201778 569578991 /nfs/dbraw/zinc/57/89/91/569578991.db2.gz FAQGQJMQBKNYBA-VQTJNVASSA-N 0 0 427.501 2.994 50 0 IFAARN CCOc1ccccc1-n1c(-c2ccc(F)cc2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000010233767 569579636 /nfs/dbraw/zinc/57/96/36/569579636.db2.gz DDVJFIVOGKCQSP-UHFFFAOYSA-N 0 0 433.443 2.880 50 0 IFAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NC2CCCCCC2)CS(=O)(=O)C3)c(C)c1 ZINC000010250619 569579783 /nfs/dbraw/zinc/57/97/83/569579783.db2.gz NORZTOOQOXMACR-UHFFFAOYSA-N 0 0 444.557 2.695 50 0 IFAARN CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000010256102 569579974 /nfs/dbraw/zinc/57/99/74/569579974.db2.gz OLSSCKOKCWQHJM-OAQYLSRUSA-N 0 0 441.553 2.569 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000010273347 569580219 /nfs/dbraw/zinc/58/02/19/569580219.db2.gz SAHVQBSGQARSHU-GOSISDBHSA-N 0 0 434.901 2.903 50 0 IFAARN CCOc1ccc([C@H]2NC(=O)NC(CS(=O)(=O)c3ccc(C)cc3)=C2C(=O)OC)cc1 ZINC000010273547 569580277 /nfs/dbraw/zinc/58/02/77/569580277.db2.gz LBZIYHOHPCIKBB-HXUWFJFHSA-N 0 0 444.509 2.649 50 0 IFAARN CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000010274119 569580368 /nfs/dbraw/zinc/58/03/68/569580368.db2.gz RPWVKUKURKRXSQ-HNNXBMFYSA-N 0 0 449.939 2.509 50 0 IFAARN CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(OC)c(OC)c4)c3)nc2)n1 ZINC000071768345 569580668 /nfs/dbraw/zinc/58/06/68/569580668.db2.gz FQLKWPIMUWXGLB-UHFFFAOYSA-N 0 0 434.456 2.827 50 0 IFAARN COc1ccc(Cc2nnc3sc(CCN4C(=O)c5ccccc5C4=O)nn23)cc1OC ZINC000010311850 569580840 /nfs/dbraw/zinc/58/08/40/569580840.db2.gz DGLPMKHZHQOGLK-UHFFFAOYSA-N 0 0 449.492 2.633 50 0 IFAARN NC(=O)N[C@H](CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccs1 ZINC000010321433 569580989 /nfs/dbraw/zinc/58/09/89/569580989.db2.gz JLDHJDACRRGIBJ-CQSZACIVSA-N 0 0 431.543 2.933 50 0 IFAARN COc1cccc(C(=O)N(CCN(C)C)c2nc3c(cccc3S(C)(=O)=O)s2)c1 ZINC000010337318 569581239 /nfs/dbraw/zinc/58/12/39/569581239.db2.gz VYGPZGIQZDSVTF-UHFFFAOYSA-N 0 0 433.555 2.917 50 0 IFAARN Cc1ccccc1-n1c(SC[C@H](O)COc2ccccc2)nnc1N1CCOCC1 ZINC000010350261 569581414 /nfs/dbraw/zinc/58/14/14/569581414.db2.gz AJUZLDXFJQURIN-GOSISDBHSA-N 0 0 426.542 2.944 50 0 IFAARN COc1ccc(S(=O)(=O)NC(C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010383279 569581783 /nfs/dbraw/zinc/58/17/83/569581783.db2.gz VCMNXZFQLWCIFS-UHFFFAOYSA-N 0 0 432.951 2.860 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000010386645 569581811 /nfs/dbraw/zinc/58/18/11/569581811.db2.gz KSNICWOJRGZRBO-UHFFFAOYSA-N 0 0 442.946 2.780 50 0 IFAARN O=C(Nc1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1Br ZINC000071807267 569581828 /nfs/dbraw/zinc/58/18/28/569581828.db2.gz OVZXRXSEZBVVBG-GFCCVEGCSA-N 0 0 437.315 2.618 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)OCc2nc3sc4c(c3c(N)n2)CCCCC4)c1 ZINC000010395605 569581892 /nfs/dbraw/zinc/58/18/92/569581892.db2.gz ICRJIQWDHODFQT-UHFFFAOYSA-N 0 0 446.554 2.808 50 0 IFAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)NCC(F)(F)F ZINC000010399725 569581901 /nfs/dbraw/zinc/58/19/01/569581901.db2.gz NRDDWRUFHKAIOB-GFCCVEGCSA-N 0 0 425.498 2.805 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCCc3cccs3)CC2)c1 ZINC000010442415 569582219 /nfs/dbraw/zinc/58/22/19/569582219.db2.gz YFILPKFTOKTPSA-UHFFFAOYSA-N 0 0 438.571 2.621 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000010454744 569582357 /nfs/dbraw/zinc/58/23/57/569582357.db2.gz VSNDREQRWYBTAQ-AWEZNQCLSA-N 0 0 434.514 2.958 50 0 IFAARN COc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)cc1S(N)(=O)=O ZINC000071846788 569582412 /nfs/dbraw/zinc/58/24/12/569582412.db2.gz BYZYKTZTHRQBNR-KGLIPLIRSA-N 0 0 425.304 2.847 50 0 IFAARN COC(=O)c1nc(NC(=O)[C@@H](NC(=O)c2cccnc2)c2ccccc2)sc1C(C)C ZINC000095480550 569583765 /nfs/dbraw/zinc/58/37/65/569583765.db2.gz ZKFCZUUGHPELRO-INIZCTEOSA-N 0 0 438.509 3.558 50 0 IFAARN COc1cccc(N2C[C@@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)c1 ZINC000009095590 569584748 /nfs/dbraw/zinc/58/47/48/569584748.db2.gz IWSBBZGIVWSLDJ-LBPRGKRZSA-N 0 0 445.522 2.700 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)sc2c1 ZINC000032093287 569584893 /nfs/dbraw/zinc/58/48/93/569584893.db2.gz LBZHOCLWOJOTHA-CYBMUJFWSA-N 0 0 447.513 2.826 50 0 IFAARN Cn1cnnc1SCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 ZINC000077099345 569585205 /nfs/dbraw/zinc/58/52/05/569585205.db2.gz GRMROMWJXMPLRH-UHFFFAOYSA-N 0 0 437.573 2.586 50 0 IFAARN O=C(CN1C(=O)CCC1=O)N(C[C@H]1CCCO1)c1nc2c(cccc2C(F)(F)F)s1 ZINC000077099413 569585258 /nfs/dbraw/zinc/58/52/58/569585258.db2.gz SQDCFALLNHIAHW-LLVKDONJSA-N 0 0 441.431 2.976 50 0 IFAARN O=C(NCC[C@H](O)c1cccc2ccccc21)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2 ZINC000077118852 569585665 /nfs/dbraw/zinc/58/56/65/569585665.db2.gz KMILULAQYVRRPM-QFIPXVFZSA-N 0 0 443.503 2.854 50 0 IFAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)C1(c2ccccc2)CCOCC1 ZINC000077154891 569585716 /nfs/dbraw/zinc/58/57/16/569585716.db2.gz WRLJUYWXMQVPKD-UHFFFAOYSA-N 0 0 447.582 2.680 50 0 IFAARN O=C(CN1CC(c2nc(-c3cccc(Cl)c3)no2)C1)NCc1ccc2c(c1)OCO2 ZINC000077190912 569585903 /nfs/dbraw/zinc/58/59/03/569585903.db2.gz DSMVMNZQZHQBJG-UHFFFAOYSA-N 0 0 426.860 2.834 50 0 IFAARN NC(=O)Cc1csc(NC(=O)C2CN(c3nc4c(cccc4C(F)(F)F)s3)C2)n1 ZINC000077191811 569585967 /nfs/dbraw/zinc/58/59/67/569585967.db2.gz QHCGJSFVLUOGKI-UHFFFAOYSA-N 0 0 441.460 2.874 50 0 IFAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(F)c(Cl)c1)CC2)[C@@H]1CCCO1 ZINC000077192073 569586049 /nfs/dbraw/zinc/58/60/49/569586049.db2.gz UWQPYTJUCIEVSJ-AWEZNQCLSA-N 0 0 445.925 2.800 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1 ZINC000077196686 569586072 /nfs/dbraw/zinc/58/60/72/569586072.db2.gz RSZXLVVNEZHQIM-UHFFFAOYSA-N 0 0 433.472 2.613 50 0 IFAARN COc1cccc(N2C[C@H](C(=O)N3CCC[C@@H](c4nnc(C(F)(F)F)o4)C3)CC2=O)c1 ZINC000077197818 569586213 /nfs/dbraw/zinc/58/62/13/569586213.db2.gz RWYPBYFFMVGDKY-CHWSQXEVSA-N 0 0 438.406 2.856 50 0 IFAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)c1OC ZINC000077200436 569586461 /nfs/dbraw/zinc/58/64/61/569586461.db2.gz FQMJMCPSNXITGW-GOSISDBHSA-N 0 0 437.500 2.990 50 0 IFAARN O=S(=O)(NCC1(c2cccs2)CC1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000077200797 569586556 /nfs/dbraw/zinc/58/65/56/569586556.db2.gz MCZHPIXZWRBMCJ-UHFFFAOYSA-N 0 0 426.585 2.688 50 0 IFAARN Cc1nn(-c2ccc(-c3ccc(C)cc3)nn2)c(C)c1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000033308131 569587520 /nfs/dbraw/zinc/58/75/20/569587520.db2.gz SMVMWSPLTLYCFC-SFHVURJKSA-N 0 0 427.530 2.712 50 0 IFAARN O=C(CN1CCN(C(=O)c2csc(Nc3ccc(Cl)cc3)n2)CC1)NCC1CC1 ZINC000034831611 569587600 /nfs/dbraw/zinc/58/76/00/569587600.db2.gz HJZDLPUKAUNTHL-UHFFFAOYSA-N 0 0 433.965 2.824 50 0 IFAARN C=CCN1C2=C(C(=O)N(CC(=O)N3CCC(C)CC3)C2)[C@@H](c2ccccc2Cl)NC1=O ZINC000034791877 569587604 /nfs/dbraw/zinc/58/76/04/569587604.db2.gz DFZLWUXSSVUVNL-OAQYLSRUSA-N 0 0 442.947 2.947 50 0 IFAARN COCCN(C[C@@H]1CN(C(=O)c2ccco2)CCO1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000037611085 569588092 /nfs/dbraw/zinc/58/80/92/569588092.db2.gz UAVFORLXGDYNIK-QGZVFWFLSA-N 0 0 440.418 2.928 50 0 IFAARN CCOC(=O)O[C@@H](C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21 ZINC000000597588 193858944 /nfs/dbraw/zinc/85/89/44/193858944.db2.gz LSNWBKACGXCGAJ-ZDUSSCGKSA-N 0 0 447.469 2.559 50 0 world IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3sccc3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000633372 193865056 /nfs/dbraw/zinc/86/50/56/193865056.db2.gz WAGXRFCFXGDXIQ-OXRZLYTFSA-N 0 0 440.546 2.787 50 0 IFAARN O=C(c1ccc(Cn2cc(Br)cn2)o1)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000000653379 193873363 /nfs/dbraw/zinc/87/33/63/193873363.db2.gz ZKCBGVCZJLZTNQ-AWEZNQCLSA-N 0 0 439.163 2.708 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCc3ccccn3)cc2)cc1 ZINC000006244071 193893875 /nfs/dbraw/zinc/89/38/75/193893875.db2.gz LNMUOFUIEXGRJW-UHFFFAOYSA-N 0 0 439.537 2.953 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)COCC(=O)Nc1cccc(Cl)c1Cl ZINC000009846845 193904938 /nfs/dbraw/zinc/90/49/38/193904938.db2.gz BZFCDVSFDZFQJG-MRXNPFEDSA-N 0 0 439.295 2.849 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCCC[C@@H]2C)C1 ZINC000009830773 193897916 /nfs/dbraw/zinc/89/79/16/193897916.db2.gz AITZGEKYOSYEOU-BBWFWOEESA-N 0 0 449.573 2.662 50 0 IFAARN CCC(=O)N(c1nnc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)s1)C1CC1 ZINC000009831849 193899246 /nfs/dbraw/zinc/89/92/46/193899246.db2.gz FSQWIJCNSIGGES-LLVKDONJSA-N 0 0 434.543 2.969 50 0 IFAARN COC(=O)c1sccc1NC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O ZINC000009860825 193910852 /nfs/dbraw/zinc/91/08/52/193910852.db2.gz PVWAXDQDKHPPPP-UHFFFAOYSA-N 0 0 434.477 2.869 50 0 IFAARN CNC(=O)c1ccc(N(Cc2ccccc2Cl)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009860750 193910998 /nfs/dbraw/zinc/91/09/98/193910998.db2.gz FYXHJSUZDPBLHJ-ROUUACIJSA-N 0 0 449.985 2.975 50 0 IFAARN Cc1cc(=O)oc2cc(NC(=O)Cn3cnc4c(cnn4-c4ccccc4)c3=O)ccc12 ZINC000049967595 193921613 /nfs/dbraw/zinc/92/16/13/193921613.db2.gz MDCLRGPTSCQIEQ-UHFFFAOYSA-N 0 0 427.420 2.636 50 0 IFAARN CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(c4ccccc4)CC3)cc2C1=O ZINC000009120282 132226733 /nfs/dbraw/zinc/22/67/33/132226733.db2.gz NVKQPAGKYTXEAI-UHFFFAOYSA-N 0 0 449.507 2.588 50 0 IFAARN O=C(N[C@H](n1cnc2c1ncnc2N1CCOCC1)C(Cl)(Cl)Cl)c1ccco1 ZINC000000716841 132229647 /nfs/dbraw/zinc/22/96/47/132229647.db2.gz PABJAEBQPNZCMU-OAHLLOKOSA-N 0 0 445.694 2.555 50 0 IFAARN COc1ccccc1N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000009519976 132233400 /nfs/dbraw/zinc/23/34/00/132233400.db2.gz NNGGPYCOFUUHCV-QGZVFWFLSA-N 0 0 428.920 2.986 50 0 IFAARN CCOc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccccc4OC)CC3)CC2=O)cc1 ZINC000009519966 132233410 /nfs/dbraw/zinc/23/34/10/132233410.db2.gz NYKVJMIVGQGUAS-GOSISDBHSA-N 0 0 438.528 2.731 50 0 IFAARN O=C(CCC1CCCC1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009569808 132234845 /nfs/dbraw/zinc/23/48/45/132234845.db2.gz JCVRTLOODJINLJ-UHFFFAOYSA-N 0 0 427.998 2.878 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1c(F)cccc1Cl ZINC000009569883 132235127 /nfs/dbraw/zinc/23/51/27/132235127.db2.gz SWPDRGHWQNSVFB-UHFFFAOYSA-N 0 0 443.903 2.500 50 0 IFAARN O=C(c1cccc(Cl)c1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000009849245 132241722 /nfs/dbraw/zinc/24/17/22/132241722.db2.gz WWOWQZFMQFQILI-UHFFFAOYSA-N 0 0 437.866 2.965 50 0 IFAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)N2CCN(c4ccccc4)CC2)c3=O)c(C)c1 ZINC000009829667 132241728 /nfs/dbraw/zinc/24/17/28/132241728.db2.gz SGSSVHCCLCXKPK-UHFFFAOYSA-N 0 0 442.523 2.548 50 0 IFAARN O=C(Cc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 ZINC000009849884 132241825 /nfs/dbraw/zinc/24/18/25/132241825.db2.gz JNUXQCQNZFPKOV-UHFFFAOYSA-N 0 0 433.903 2.755 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3cccc(C)c3)CC2)cc1 ZINC000009851283 132242068 /nfs/dbraw/zinc/24/20/68/132242068.db2.gz OHHIAISOMIOMJO-UHFFFAOYSA-N 0 0 443.511 2.880 50 0 IFAARN O=C(c1ccccc1Cl)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000009851716 132242291 /nfs/dbraw/zinc/24/22/91/132242291.db2.gz OIDBGZKZIFNOCP-UHFFFAOYSA-N 0 0 433.903 2.885 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1 ZINC000009851701 132242302 /nfs/dbraw/zinc/24/23/02/132242302.db2.gz MVLCHKWIAGYQNP-UHFFFAOYSA-N 0 0 443.511 2.631 50 0 IFAARN CSc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000009851847 132242425 /nfs/dbraw/zinc/24/24/25/132242425.db2.gz AKFINRMPXPQEFS-UHFFFAOYSA-N 0 0 445.552 2.954 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 ZINC000009824004 132244506 /nfs/dbraw/zinc/24/45/06/132244506.db2.gz CQGQJGQLLMSIRN-UHFFFAOYSA-N 0 0 429.484 2.572 50 0 IFAARN C[C@]12CCC(=O)N1c1c(sc3nc(N4CCOCC4)c4c(c31)CC(C)(C)OC4)C(=O)N2 ZINC000002296318 132251438 /nfs/dbraw/zinc/25/14/38/132251438.db2.gz MXXNDAAWNPKBFF-JOCHJYFZSA-N 0 0 442.541 2.571 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000002786405 132257147 /nfs/dbraw/zinc/25/71/47/132257147.db2.gz KBYBARVBCGTAKY-HXUWFJFHSA-N 0 0 427.570 2.745 50 0 IFAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000002883042 132258217 /nfs/dbraw/zinc/25/82/17/132258217.db2.gz MSIINSIRNRUDQJ-QGZVFWFLSA-N 0 0 449.523 2.714 50 0 IFAARN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000003175179 132262023 /nfs/dbraw/zinc/26/20/23/132262023.db2.gz VWETTZSKCSVEHV-FQEVSTJZSA-N 0 0 433.961 2.842 50 0 IFAARN COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1OC ZINC000003300740 132263540 /nfs/dbraw/zinc/26/35/40/132263540.db2.gz XWJPXAHSBCHMBN-IZZDOVSWSA-N 0 0 426.469 2.736 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCc2ccccc21 ZINC000003301944 132263555 /nfs/dbraw/zinc/26/35/55/132263555.db2.gz MMVIMQOPVVPZQE-UHFFFAOYSA-N 0 0 442.537 2.997 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000003352900 132264401 /nfs/dbraw/zinc/26/44/01/132264401.db2.gz BRTWMHNNDJEDJL-KRWDZBQOSA-N 0 0 438.528 2.623 50 0 IFAARN Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2Oc2ccccc2)c1=O ZINC000003387289 132264818 /nfs/dbraw/zinc/26/48/18/132264818.db2.gz ONFMAWWAUORHHB-UHFFFAOYSA-N 0 0 449.511 2.551 50 0 IFAARN COc1ccc(C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000003456235 132265739 /nfs/dbraw/zinc/26/57/39/132265739.db2.gz IPBRTFURLUBHIV-GOSISDBHSA-N 0 0 430.526 2.746 50 0 IFAARN COc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000003665893 132267463 /nfs/dbraw/zinc/26/74/63/132267463.db2.gz JATGXQNRXIMVFM-XMMPIXPASA-N 0 0 447.447 2.938 50 0 IFAARN O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004763720 132273645 /nfs/dbraw/zinc/27/36/45/132273645.db2.gz ARVCNSCIIOAHPO-UHFFFAOYSA-N 0 0 444.532 2.800 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(c3ccccc3F)CC2)c1 ZINC000004767814 132273997 /nfs/dbraw/zinc/27/39/97/132273997.db2.gz ZFXPEMKWJXGIRD-UHFFFAOYSA-N 0 0 431.489 2.918 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1nnc2ccccc21 ZINC000005298437 132275298 /nfs/dbraw/zinc/27/52/98/132275298.db2.gz IAUJNFVWLVIKRB-UHFFFAOYSA-N 0 0 425.489 2.704 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3c4ccccc4CC[C@H]3C)CC2)cc1 ZINC000006822443 132279395 /nfs/dbraw/zinc/27/93/95/132279395.db2.gz RZQKCGZETFWKJM-LJQANCHMSA-N 0 0 427.570 2.669 50 0 IFAARN COc1ccc(OC)c(CCNC(=O)[C@H]2CCCN(c3ncnc4onc(C)c43)C2)c1 ZINC000007004787 132280274 /nfs/dbraw/zinc/28/02/74/132280274.db2.gz AZEQJPUYDQXNAZ-INIZCTEOSA-N 0 0 425.489 2.519 50 0 IFAARN CCCN(CC(=O)N1CCN(c2ccc(O)cc2)CC1)Cc1nnc(-c2ccco2)o1 ZINC000007241396 132280494 /nfs/dbraw/zinc/28/04/94/132280494.db2.gz UKMWJZCJDPLUEW-UHFFFAOYSA-N 0 0 425.489 2.596 50 0 IFAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1 ZINC000007645341 132280674 /nfs/dbraw/zinc/28/06/74/132280674.db2.gz ZLVVYESOEJSPLM-UHFFFAOYSA-N 0 0 425.529 2.994 50 0 IFAARN O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008587403 132282850 /nfs/dbraw/zinc/28/28/50/132282850.db2.gz AITNIQPKLSYMNP-UHFFFAOYSA-N 0 0 445.560 2.716 50 0 IFAARN CCOC(=O)N1CCN(c2ncc3c(n2)C[C@H](c2ccc(OC)c(OC)c2)CC3=O)CC1 ZINC000008590942 132283855 /nfs/dbraw/zinc/28/38/55/132283855.db2.gz FHKARVRHSKYMOF-INIZCTEOSA-N 0 0 440.500 2.685 50 0 IFAARN Cc1csc2nc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(=O)n12 ZINC000008594613 132284639 /nfs/dbraw/zinc/28/46/39/132284639.db2.gz HSKLYWWNVWFWJC-UHFFFAOYSA-N 0 0 432.571 2.501 50 0 IFAARN CCNC(=O)COC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000008687329 132290535 /nfs/dbraw/zinc/29/05/35/132290535.db2.gz IXKPYECWMPSXOQ-NFBKMPQASA-N 0 0 440.496 2.867 50 0 IFAARN C[C@@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)C(=O)NC1CCCC1 ZINC000008720353 132291835 /nfs/dbraw/zinc/29/18/35/132291835.db2.gz OMRJVGLXHFFXFW-CQSZACIVSA-N 0 0 433.530 2.772 50 0 IFAARN NC(=O)[C@H]1CN(CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c2ccccc2O1 ZINC000008725743 132292014 /nfs/dbraw/zinc/29/20/14/132292014.db2.gz KMSMQGDXTUHNOG-NQIIRXRSSA-N 0 0 425.485 2.846 50 0 IFAARN COc1cccc(N2CCN(C(=O)CCCn3c(=O)c4cccn4c4cccnc43)CC2)c1 ZINC000009114988 132303593 /nfs/dbraw/zinc/30/35/93/132303593.db2.gz UPJUSGWWQHRFDL-UHFFFAOYSA-N 0 0 445.523 2.787 50 0 IFAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000009117727 132304241 /nfs/dbraw/zinc/30/42/41/132304241.db2.gz PPYXFWSYRZFQOJ-UHFFFAOYSA-N 0 0 428.577 2.576 50 0 IFAARN CCn1c2ccc(NC(=O)CN3C(=O)COc4ccc(Cl)cc43)cc2n(CC)c1=O ZINC000009191286 132307968 /nfs/dbraw/zinc/30/79/68/132307968.db2.gz BJHCHPYYTBGXOS-UHFFFAOYSA-N 0 0 428.876 2.860 50 0 IFAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)C1CC1 ZINC000009207632 132308630 /nfs/dbraw/zinc/30/86/30/132308630.db2.gz BALOCIRNOUWDAJ-INIZCTEOSA-N 0 0 431.533 2.865 50 0 IFAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCC[C@@H](C(=O)N3CCOCC3)C1)nnc2C ZINC000009224389 132309805 /nfs/dbraw/zinc/30/98/05/132309805.db2.gz RWEKWHZKLRPBBL-LJQANCHMSA-N 0 0 434.544 2.816 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009228502 132310011 /nfs/dbraw/zinc/31/00/11/132310011.db2.gz FEZUKRPSCKPHJW-UHFFFAOYSA-N 0 0 439.965 2.983 50 0 IFAARN O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)NC1CCCCC1 ZINC000009235904 132310285 /nfs/dbraw/zinc/31/02/85/132310285.db2.gz DAGCLFIVNZWLED-UHFFFAOYSA-N 0 0 428.562 2.993 50 0 IFAARN COc1ccccc1N1CC[NH+](CCCNc2nc3ccc(C)cc3n3nnnc23)CC1 ZINC000009273331 132312084 /nfs/dbraw/zinc/31/20/84/132312084.db2.gz GWHJDOSZDAMLCT-UHFFFAOYSA-N 0 0 432.532 2.614 50 0 IFAARN COc1cc(NC(=O)[C@@H](NC(=O)N2CC(=O)Nc3ccccc32)C(C)C)cc(OC)c1 ZINC000009410712 132316141 /nfs/dbraw/zinc/31/61/41/132316141.db2.gz PLYHVDLQNWTQSG-FQEVSTJZSA-N 0 0 426.473 2.835 50 0 IFAARN COc1ccc(-c2nc(SCC(=O)N3CCN(c4ccccc4OC)CC3)n[nH]2)cc1 ZINC000009426880 132316631 /nfs/dbraw/zinc/31/66/31/132316631.db2.gz FRXBWQCIUHSXRE-UHFFFAOYSA-N 0 0 439.541 2.930 50 0 IFAARN COc1cc(NC(=O)CCc2nnc3ccc(N4CCCCC4)nn32)cc(OC)c1OC ZINC000009431082 132317185 /nfs/dbraw/zinc/31/71/85/132317185.db2.gz KUKQUFPQPDDMDO-UHFFFAOYSA-N 0 0 440.504 2.712 50 0 IFAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009469077 132318528 /nfs/dbraw/zinc/31/85/28/132318528.db2.gz CCZQPTTXDQASQS-UHFFFAOYSA-N 0 0 443.569 2.580 50 0 IFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)N2CCOc3ccccc32)s1 ZINC000009503567 132319668 /nfs/dbraw/zinc/31/96/68/132319668.db2.gz OHPSFZWKTGVEDR-UHFFFAOYSA-N 0 0 441.490 2.527 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1C ZINC000009512081 132320101 /nfs/dbraw/zinc/32/01/01/132320101.db2.gz HXQNAINWGQERFW-OAQYLSRUSA-N 0 0 444.553 2.735 50 0 IFAARN O=c1[nH]c(CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)nc2ccccc21 ZINC000009526201 132320305 /nfs/dbraw/zinc/32/03/05/132320305.db2.gz BOZZSRVPKUWLRT-UHFFFAOYSA-N 0 0 447.524 2.981 50 0 IFAARN O=C1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N1Cc1cccc(Cl)c1 ZINC000009528069 132320370 /nfs/dbraw/zinc/32/03/70/132320370.db2.gz KNSNHSQNPFFANO-UHFFFAOYSA-N 0 0 438.958 3.000 50 0 IFAARN O=C(CCCn1nnc2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009579921 132322253 /nfs/dbraw/zinc/32/22/53/132322253.db2.gz HQKWIZLSIQYCRR-UHFFFAOYSA-N 0 0 445.445 2.939 50 0 IFAARN Cc1ccc(CNC(=O)CN2C(=O)CN(C(=O)NCc3ccccc3)c3ccccc32)o1 ZINC000009588484 132322506 /nfs/dbraw/zinc/32/25/06/132322506.db2.gz IJDAESLGKLDRBL-UHFFFAOYSA-N 0 0 432.480 2.967 50 0 IFAARN O=C(CCCC(=O)N1CCN(c2ccccc2F)CC1)NCc1ccc2c(c1)OCO2 ZINC000009601651 132323071 /nfs/dbraw/zinc/32/30/71/132323071.db2.gz UQDPBVLXOCXDQT-UHFFFAOYSA-N 0 0 427.476 2.690 50 0 IFAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCC(=O)N3CCOCC3)[C@H]2c2cccs2)cc1 ZINC000009603556 132323190 /nfs/dbraw/zinc/32/31/90/132323190.db2.gz ULYQMXYALCNEFC-GCJKJVERSA-N 0 0 442.537 2.943 50 0 IFAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCN(c2ccccc2)CC1 ZINC000009677625 132325556 /nfs/dbraw/zinc/32/55/56/132325556.db2.gz UXOPNPAIFLCMDZ-UHFFFAOYSA-N 0 0 446.536 2.962 50 0 IFAARN O=C(CCc1nnc2ccc(NCc3ccco3)nn21)N1CCN(c2ccccc2)CC1 ZINC000009744208 132328184 /nfs/dbraw/zinc/32/81/84/132328184.db2.gz VYMWCNNCGOVKPQ-UHFFFAOYSA-N 0 0 431.500 2.611 50 0 IFAARN Cn1c(C(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccn4)CC3)C2)cc2sccc21 ZINC000009847716 132330103 /nfs/dbraw/zinc/33/01/03/132330103.db2.gz GJGXGNDQWMLLFX-KRWDZBQOSA-N 0 0 437.569 2.836 50 0 IFAARN CN(CCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccc1 ZINC000010057627 132334253 /nfs/dbraw/zinc/33/42/53/132334253.db2.gz ZVGLVYSLCMJKLU-UHFFFAOYSA-N 0 0 447.465 2.612 50 0 IFAARN Cc1cccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC(=O)c2ccccc2)c4=O)c1 ZINC000010105081 132334854 /nfs/dbraw/zinc/33/48/54/132334854.db2.gz DKMHANHQQJKZPJ-QGZVFWFLSA-N 0 0 443.507 2.876 50 0 IFAARN O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)N1CCN(c2ccccc2)CC1 ZINC000010267902 132335330 /nfs/dbraw/zinc/33/53/30/132335330.db2.gz LWIWRAASYWYGMJ-HSZRJFAPSA-N 0 0 437.521 2.507 50 0 IFAARN O=C(NCCc1ccc(F)cc1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000010660454 132336264 /nfs/dbraw/zinc/33/62/64/132336264.db2.gz DGFYBFVQQCWWMS-UHFFFAOYSA-N 0 0 436.413 2.858 50 0 IFAARN COC[C@H](C)NC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O ZINC000011121012 132337446 /nfs/dbraw/zinc/33/74/46/132337446.db2.gz TUXYJXZIMIBZCI-LBPRGKRZSA-N 0 0 439.331 2.776 50 0 IFAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccc(N2CCOCC2)nc1 ZINC000011128142 132337447 /nfs/dbraw/zinc/33/74/47/132337447.db2.gz DJALFWKUNGGLLL-UHFFFAOYSA-N 0 0 444.944 2.833 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1OC ZINC000011695320 132338720 /nfs/dbraw/zinc/33/87/20/132338720.db2.gz GEQLFMVDQJGNNW-UHFFFAOYSA-N 0 0 440.525 2.672 50 0 IFAARN O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 ZINC000011697602 132339143 /nfs/dbraw/zinc/33/91/43/132339143.db2.gz NFKAZWVROLVSCX-UHFFFAOYSA-N 0 0 430.921 2.780 50 0 IFAARN O=C(CCCc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000011796397 132340237 /nfs/dbraw/zinc/34/02/37/132340237.db2.gz QNNBJKNHRSYGKO-UHFFFAOYSA-N 0 0 447.576 2.807 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCN1C(=O)COc2ccccc21 ZINC000012997677 132341587 /nfs/dbraw/zinc/34/15/87/132341587.db2.gz DCZUPAVFAHWGBA-UHFFFAOYSA-N 0 0 446.301 2.628 50 0 IFAARN Cc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000013041308 132343461 /nfs/dbraw/zinc/34/34/61/132343461.db2.gz LKULRSWBOVLERJ-UHFFFAOYSA-N 0 0 427.570 2.745 50 0 IFAARN Cc1cccc(N2CCN(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)CC2)c1C ZINC000013097792 132344354 /nfs/dbraw/zinc/34/43/54/132344354.db2.gz LVAWKDIKSGHDJC-XMMPIXPASA-N 0 0 436.512 2.579 50 0 IFAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000013110103 132344686 /nfs/dbraw/zinc/34/46/86/132344686.db2.gz FVWHTZAUECRWAB-UHFFFAOYSA-N 0 0 447.461 2.753 50 0 IFAARN CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 ZINC000013149170 132345968 /nfs/dbraw/zinc/34/59/68/132345968.db2.gz XWMDWJMCWDQWOJ-UHFFFAOYSA-N 0 0 435.480 2.967 50 0 IFAARN O=C(CCCCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000013549809 132349518 /nfs/dbraw/zinc/34/95/18/132349518.db2.gz SPZCJXABOCNBMJ-UHFFFAOYSA-N 0 0 438.484 2.760 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3ccc(-c4ccc5c(c4)OCO5)nn3)CC2)cc1OC ZINC000013658808 132352443 /nfs/dbraw/zinc/35/24/43/132352443.db2.gz NPBYSBYDRSFLJH-UHFFFAOYSA-N 0 0 448.479 2.852 50 0 IFAARN COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000013662780 132352644 /nfs/dbraw/zinc/35/26/44/132352644.db2.gz MNXIFWYFYMKBMX-UHFFFAOYSA-N 0 0 446.479 2.941 50 0 IFAARN COc1ccccc1-c1ccc(N2CCN(S(=O)(=O)CCc3ccccc3)CC2)nn1 ZINC000013663804 132352683 /nfs/dbraw/zinc/35/26/83/132352683.db2.gz DEWKULRYKHNCMR-UHFFFAOYSA-N 0 0 438.553 2.847 50 0 IFAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 ZINC000013848577 132355252 /nfs/dbraw/zinc/35/52/52/132355252.db2.gz ACLIXGHFYSKNAY-UHFFFAOYSA-N 0 0 434.525 2.666 50 0 IFAARN O=C(CCN1C(=O)CSc2ccccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000014140233 132356345 /nfs/dbraw/zinc/35/63/45/132356345.db2.gz NGLMJIKEBLAYAZ-UHFFFAOYSA-N 0 0 437.565 2.795 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1C ZINC000012893959 518233465 /nfs/dbraw/zinc/23/34/65/518233465.db2.gz QYWDZMVWNNBQOV-HNNXBMFYSA-N 0 0 432.498 2.802 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000012532885 518346452 /nfs/dbraw/zinc/34/64/52/518346452.db2.gz PQYPBKMKKNNNFC-UHFFFAOYSA-N 0 0 449.960 2.512 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012268782 518406216 /nfs/dbraw/zinc/40/62/16/518406216.db2.gz MDHNIHVPPYSOAG-SCUMNGBJSA-N 0 0 447.553 2.885 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3csc4c3CCCC4)CC2)c1 ZINC000012771872 518458977 /nfs/dbraw/zinc/45/89/77/518458977.db2.gz LGUIMNLJSATPOJ-UHFFFAOYSA-N 0 0 432.567 2.976 50 0 IFAARN C=C1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H](C)NC(=O)c1ccccc1C(=O)OC ZINC000012883602 518669154 /nfs/dbraw/zinc/66/91/54/518669154.db2.gz XXCDIHJKVABRPZ-AWEZNQCLSA-N 0 0 438.480 2.664 50 0 IFAARN CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1=O ZINC000009667456 518719258 /nfs/dbraw/zinc/71/92/58/518719258.db2.gz JRFLZZNREPUXST-SFHVURJKSA-N 0 0 443.569 2.793 50 0 IFAARN CC(C)(C)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1=O ZINC000009667455 518721289 /nfs/dbraw/zinc/72/12/89/518721289.db2.gz JRFLZZNREPUXST-GOSISDBHSA-N 0 0 443.569 2.793 50 0 IFAARN CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000022788548 518727522 /nfs/dbraw/zinc/72/75/22/518727522.db2.gz ZAHPPPRUUWATOF-UHFFFAOYSA-N 0 0 429.609 2.538 50 0 IFAARN CC(C)(C)NC(=O)CN(Cc1ccc(F)cc1)C(=O)Cn1nnnc1-c1ccc(F)cc1 ZINC000021523386 518727928 /nfs/dbraw/zinc/72/79/28/518727928.db2.gz OMDRAFDHICXGFJ-UHFFFAOYSA-N 0 0 442.470 2.562 50 0 IFAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000012902591 518842447 /nfs/dbraw/zinc/84/24/47/518842447.db2.gz SIXUSIJBZINQEI-SFHVURJKSA-N 0 0 431.533 2.674 50 0 IFAARN CC(C)C[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccnn1C(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000012765732 519292515 /nfs/dbraw/zinc/29/25/15/519292515.db2.gz ZCHUQDGMAGXSQB-WNRNVDISSA-N 0 0 444.532 2.700 50 0 IFAARN CC(C)Cn1c(N)c(C(=O)CSc2ncc(-c3ccccc3)n2C2CC2)c(=O)[nH]c1=O ZINC000012189173 519487968 /nfs/dbraw/zinc/48/79/68/519487968.db2.gz KYUZYJULLQZHDL-UHFFFAOYSA-N 0 0 439.541 2.948 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c3ccccc3)cc2C[C@@H]1C ZINC000020529471 519639261 /nfs/dbraw/zinc/63/92/61/519639261.db2.gz KFJVSUNZXLTWPF-JKSUJKDBSA-N 0 0 429.542 2.530 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3cc(F)ccc3F)cc2C[C@@H]1C ZINC000020529327 519639625 /nfs/dbraw/zinc/63/96/25/519639625.db2.gz AJHUWVPBHIEWQV-LBPRGKRZSA-N 0 0 437.468 2.569 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)c(F)c3)cc2C[C@@H]1C ZINC000015936380 519639864 /nfs/dbraw/zinc/63/98/64/519639864.db2.gz GNIPDYRPWNKEHX-AWEZNQCLSA-N 0 0 433.505 2.739 50 0 IFAARN CC(C)CCN(C(=O)Cc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009594032 519649164 /nfs/dbraw/zinc/64/91/64/519649164.db2.gz ODUYRXRBLOVKQU-UHFFFAOYSA-N 0 0 438.503 2.928 50 0 IFAARN CC(C)CCNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O ZINC000032947227 519656398 /nfs/dbraw/zinc/65/63/98/519656398.db2.gz GGFYCQBVXCKGHX-GFCCVEGCSA-N 0 0 442.379 2.794 50 0 IFAARN CC(=O)NCCCc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 ZINC000012762691 519661146 /nfs/dbraw/zinc/66/11/46/519661146.db2.gz XJICBTOLIVBXLQ-RUZDIDTESA-N 0 0 433.508 2.722 50 0 IFAARN CC(C)CCNC(=O)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1 ZINC000021533406 519662010 /nfs/dbraw/zinc/66/20/10/519662010.db2.gz CIAYFVNKOIMRSM-UHFFFAOYSA-N 0 0 449.555 2.987 50 0 IFAARN CC(C)N(Cc1cnn(C)c1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc21 ZINC000012200156 519662416 /nfs/dbraw/zinc/66/24/16/519662416.db2.gz FUJRKYHGAYXWKD-QHCPKHFHSA-N 0 0 433.556 2.701 50 0 IFAARN CC(C)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1=O ZINC000020240336 519662681 /nfs/dbraw/zinc/66/26/81/519662681.db2.gz GSVXPKVWZKFGNY-IAGOWNOFSA-N 0 0 447.601 2.981 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000024219118 519687129 /nfs/dbraw/zinc/68/71/29/519687129.db2.gz UFPGSULYFVLPSX-QFIPXVFZSA-N 0 0 448.571 2.786 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000021129498 519725411 /nfs/dbraw/zinc/72/54/11/519725411.db2.gz QMNIUPSMFUTHJE-DZGCQCFKSA-N 0 0 427.432 2.707 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)cc1 ZINC000035531070 519730073 /nfs/dbraw/zinc/73/00/73/519730073.db2.gz WKRNQLCJFVJUAG-UHFFFAOYSA-N 0 0 429.542 2.752 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1 ZINC000020685758 519730117 /nfs/dbraw/zinc/73/01/17/519730117.db2.gz LLMLCVPUHAYWSM-UHFFFAOYSA-N 0 0 437.587 2.620 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3ccc(F)cc3)CC2)cc1 ZINC000012766664 519730430 /nfs/dbraw/zinc/73/04/30/519730430.db2.gz FZMQYTQZKPMODL-UHFFFAOYSA-N 0 0 447.532 2.686 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)N2CCCC2)cc1 ZINC000035559420 519730978 /nfs/dbraw/zinc/73/09/78/519730978.db2.gz DVXCXSZKRRRRKN-JOCHJYFZSA-N 0 0 441.553 2.946 50 0 IFAARN CC(C)CNC(=O)[C@@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000021662591 519739958 /nfs/dbraw/zinc/73/99/58/519739958.db2.gz SYQXHVVIOTUAFE-FQEVSTJZSA-N 0 0 429.542 2.864 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc32)c1 ZINC000020486052 519741306 /nfs/dbraw/zinc/74/13/06/519741306.db2.gz VVHHKOPCINTGHC-HSZRJFAPSA-N 0 0 443.507 2.899 50 0 IFAARN CC(C)CNC(=O)[C@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000021662593 519741357 /nfs/dbraw/zinc/74/13/57/519741357.db2.gz SYQXHVVIOTUAFE-HXUWFJFHSA-N 0 0 429.542 2.864 50 0 IFAARN CC(=O)Oc1ccc(Cl)cc1[C@@H]1OC(c2nc3nc(C)cc(C)n3n2)=NN1C(C)=O ZINC000015785673 519759157 /nfs/dbraw/zinc/75/91/57/519759157.db2.gz CEGIMVROJMUOME-SFHVURJKSA-N 0 0 428.836 2.559 50 0 IFAARN CC(C)CSc1nc2ccccc2n1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000012520362 519769873 /nfs/dbraw/zinc/76/98/73/519769873.db2.gz RGTGVDXHOKRCCZ-UHFFFAOYSA-N 0 0 426.546 2.622 50 0 IFAARN CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000009666761 519796994 /nfs/dbraw/zinc/79/69/94/519796994.db2.gz REBHIRRCRVXRFA-OFNKIYASSA-N 0 0 441.484 2.721 50 0 IFAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000036047127 519798110 /nfs/dbraw/zinc/79/81/10/519798110.db2.gz HQFJQXMCDAKBOI-SPYBWZPUSA-N 0 0 425.520 2.723 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NCc1ccccc1 ZINC000021535792 519799392 /nfs/dbraw/zinc/79/93/92/519799392.db2.gz BGJGGBYOKSWUBB-OAQYLSRUSA-N 0 0 429.542 2.581 50 0 IFAARN CC(C)[C@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 ZINC000021733454 519818770 /nfs/dbraw/zinc/81/87/70/519818770.db2.gz GWFJENFWGAGBIF-JXFKEZNVSA-N 0 0 447.561 2.619 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000032999988 519820047 /nfs/dbraw/zinc/82/00/47/519820047.db2.gz SBGFOBFBKOWBSU-QUCCMNQESA-N 0 0 433.549 2.831 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)N1CCc2ccccc21 ZINC000021535719 519821205 /nfs/dbraw/zinc/82/12/05/519821205.db2.gz NUGWFCLZKDVPQQ-QFIPXVFZSA-N 0 0 441.553 2.854 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NCc1ccccc1 ZINC000021535795 519821237 /nfs/dbraw/zinc/82/12/37/519821237.db2.gz BGJGGBYOKSWUBB-NRFANRHFSA-N 0 0 429.542 2.581 50 0 IFAARN CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000020538392 519821480 /nfs/dbraw/zinc/82/14/80/519821480.db2.gz SBXKHZYLHQJQQV-KRWDZBQOSA-N 0 0 445.511 2.602 50 0 IFAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NC[C@H](C)c2ccccc2)C1=O ZINC000035534753 519849365 /nfs/dbraw/zinc/84/93/65/519849365.db2.gz FGYRYJNEQHLTRE-INIZCTEOSA-N 0 0 442.537 2.908 50 0 IFAARN CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)N1CCCc2ccccc21 ZINC000015883459 519852887 /nfs/dbraw/zinc/85/28/87/519852887.db2.gz HLQRNEPFBRUUSG-UHFFFAOYSA-N 0 0 438.553 2.827 50 0 IFAARN CCCNC(=O)CN1CCN(C(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)CC1 ZINC000035286778 519877045 /nfs/dbraw/zinc/87/70/45/519877045.db2.gz RGCXTCFDQPFZKI-UHFFFAOYSA-N 0 0 439.585 2.988 50 0 IFAARN CCCNC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000035559425 519881878 /nfs/dbraw/zinc/88/18/78/519881878.db2.gz XECAIOALWSGWHE-NRFANRHFSA-N 0 0 429.542 2.849 50 0 IFAARN CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)C1 ZINC000033279490 519896492 /nfs/dbraw/zinc/89/64/92/519896492.db2.gz AXNWABXXOOEYGV-AWEZNQCLSA-N 0 0 438.575 2.993 50 0 IFAARN CCCn1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCCCCC4)C3)ccc21 ZINC000033023393 519896669 /nfs/dbraw/zinc/89/66/69/519896669.db2.gz IVBGUBNGDOFZSO-QGZVFWFLSA-N 0 0 433.578 2.645 50 0 IFAARN CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NC2Cc3ccccc3C2)c1=O ZINC000012330383 519901009 /nfs/dbraw/zinc/90/10/09/519901009.db2.gz OBDUUPLYSZHBNX-UHFFFAOYSA-N 0 0 429.520 2.738 50 0 IFAARN CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CCCCC1 ZINC000012762286 519912198 /nfs/dbraw/zinc/91/21/98/519912198.db2.gz DLZWQDCCEYQAAE-UHFFFAOYSA-N 0 0 445.988 2.967 50 0 IFAARN CC(C)n1c(=O)c2c3c(sc2nc1N1CCN(S(=O)(=O)C(C)C)CC1)CCCC3 ZINC000020744523 519919053 /nfs/dbraw/zinc/91/90/53/519919053.db2.gz SJIJEWLTSQAQCJ-UHFFFAOYSA-N 0 0 438.619 2.778 50 0 IFAARN CCN(C(=O)Cn1c2c(C)nn(CC)c2c(=O)n(Cc2ccco2)c1=O)c1cccc(C)c1 ZINC000035374278 519935849 /nfs/dbraw/zinc/93/58/49/519935849.db2.gz KVLKNRKHAIGLFC-UHFFFAOYSA-N 0 0 449.511 2.691 50 0 IFAARN CCNS(=O)(=O)c1cc(-c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)[nH]n2)ccc1OC ZINC000021806439 520048254 /nfs/dbraw/zinc/04/82/54/520048254.db2.gz KAWVJZZEIWOZJJ-OFQRWUPVSA-N 0 0 434.562 2.938 50 0 IFAARN CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000012293058 520215277 /nfs/dbraw/zinc/21/52/77/520215277.db2.gz JZJCNYVRGHXFMT-LJQANCHMSA-N 0 0 439.537 2.512 50 0 IFAARN CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000012536396 520320640 /nfs/dbraw/zinc/32/06/40/520320640.db2.gz XKNUJJHLDSCMTD-UHFFFAOYSA-N 0 0 442.541 2.802 50 0 IFAARN CCCOc1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1OC ZINC000021133695 520334832 /nfs/dbraw/zinc/33/48/32/520334832.db2.gz IZZHFEPNAHOCJI-UHFFFAOYSA-N 0 0 425.529 2.558 50 0 IFAARN CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000012633775 520337024 /nfs/dbraw/zinc/33/70/24/520337024.db2.gz PDLJSNBGCUDJNU-OAQYLSRUSA-N 0 0 429.948 2.595 50 0 IFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000012871137 520352244 /nfs/dbraw/zinc/35/22/44/520352244.db2.gz XDGUKDZBKAOWAO-UHFFFAOYSA-N 0 0 429.423 2.828 50 0 IFAARN CCCCN(C(=O)[C@H]1COc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012917381 520355212 /nfs/dbraw/zinc/35/52/12/520355212.db2.gz MVBRINCXOJPTFT-LJQANCHMSA-N 0 0 448.523 2.552 50 0 IFAARN CCCCN(C)C(=O)c1cn(CCOC)cc(C(=O)NCCc2cccc(Cl)c2)c1=O ZINC000012132879 520395320 /nfs/dbraw/zinc/39/53/20/520395320.db2.gz PHSJFTOWQZYHSO-UHFFFAOYSA-N 0 0 447.963 2.993 50 0 IFAARN CCOC(=O)C1=C(C)N(CC(=O)NCc2ccco2)c2ncnn2[C@H]1c1ccc(C)cc1 ZINC000021351037 520475767 /nfs/dbraw/zinc/47/57/67/520475767.db2.gz YVGVBWFFMQRZDM-NRFANRHFSA-N 0 0 435.484 2.742 50 0 IFAARN CCN(CC)C(=O)CN1c2ccccc2S(=O)(=O)N(c2cc(OC)cc(OC)c2)C1=O ZINC000015827105 520485378 /nfs/dbraw/zinc/48/53/78/520485378.db2.gz WEFZPQZBHRXSNX-UHFFFAOYSA-N 0 0 447.513 2.708 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035991566 520507598 /nfs/dbraw/zinc/50/75/98/520507598.db2.gz MJSNXJCRBLCQJJ-FQEVSTJZSA-N 0 0 447.507 2.614 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(C)C(=O)N[C@H]1c1ccsc1 ZINC000035991624 520507779 /nfs/dbraw/zinc/50/77/79/520507779.db2.gz RJGVYKNLXSWEJD-SFHVURJKSA-N 0 0 435.546 2.537 50 0 IFAARN CCOC(=O)C1=C(CN(C)Cc2cnn(C)c2C)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000022469409 520509811 /nfs/dbraw/zinc/50/98/11/520509811.db2.gz VHUQMZXWAYOSKN-NRFANRHFSA-N 0 0 425.533 2.764 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(C)c(C)c2)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870202 520515969 /nfs/dbraw/zinc/51/59/69/520515969.db2.gz JLAPAAANSXZYLV-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2C)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870196 520516545 /nfs/dbraw/zinc/51/65/45/520516545.db2.gz DRFKTDWLJAWTHQ-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2cc(C)ccc2C)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870190 520517184 /nfs/dbraw/zinc/51/71/84/520517184.db2.gz XENRWUJQWJDUKT-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cc(C3CC3)nn2-c2ccccc2)NC(=O)N[C@H]1CC ZINC000012746891 520522019 /nfs/dbraw/zinc/52/20/19/520522019.db2.gz APNNVTFNDPJJBL-INIZCTEOSA-N 0 0 438.484 2.815 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2c(C)nsc2NC)NC(=O)N[C@H]1c1cccs1 ZINC000012686860 520522120 /nfs/dbraw/zinc/52/21/20/520522120.db2.gz ZHCPZMMQEDOMIU-AWEZNQCLSA-N 0 0 436.515 2.583 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2c(C)nsc2NC)NC(=O)N[C@@H]1c1cccs1 ZINC000012686856 520522371 /nfs/dbraw/zinc/52/23/71/520522371.db2.gz ZHCPZMMQEDOMIU-CQSZACIVSA-N 0 0 436.515 2.583 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000012437516 520526877 /nfs/dbraw/zinc/52/68/77/520526877.db2.gz CTECBHVJBFAAQD-GOSISDBHSA-N 0 0 434.901 2.985 50 0 IFAARN CCOC(=O)C1=C(CSc2nnnn2C2CCCC2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012738413 520528430 /nfs/dbraw/zinc/52/84/30/520528430.db2.gz OCKZVHUWKRNWAT-MRXNPFEDSA-N 0 0 432.506 2.653 50 0 IFAARN CCOC(=O)C1=C(CSc2nnnn2C2CCCC2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000012738415 520528719 /nfs/dbraw/zinc/52/87/19/520528719.db2.gz OCKZVHUWKRNWAT-INIZCTEOSA-N 0 0 432.506 2.653 50 0 IFAARN CCOC(=O)C1=C(CSc2nnc(-c3ccco3)n2-c2ccccc2)NC(=O)NC1 ZINC000021259501 520528782 /nfs/dbraw/zinc/52/87/82/520528782.db2.gz QPSFQAZRDXROAI-UHFFFAOYSA-N 0 0 425.470 2.749 50 0 IFAARN CCOC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OCC)C1c1ccc2c(c1)OCO2 ZINC000001065946 520543900 /nfs/dbraw/zinc/54/39/00/520543900.db2.gz NCFACNGGPDBOMC-MRXNPFEDSA-N 0 0 429.469 2.888 50 0 IFAARN CCN(CC)C(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCN(C(=O)C2CC2)CC1 ZINC000036001089 520544823 /nfs/dbraw/zinc/54/48/23/520544823.db2.gz KGALMKBBDJNHJN-UHFFFAOYSA-N 0 0 426.561 2.966 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCCc1ccc(Cl)cc1)C(=O)CO2 ZINC000035377009 520555245 /nfs/dbraw/zinc/55/52/45/520555245.db2.gz AXPWVTQVULBJJP-UHFFFAOYSA-N 0 0 443.931 2.906 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1nccs1)C(=O)[C@@H]1CCCCN21 ZINC000035445695 520557520 /nfs/dbraw/zinc/55/75/20/520557520.db2.gz QVFZFSQUKDBXGZ-KRWDZBQOSA-N 0 0 441.557 2.969 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CCc2nc3onc(CC)c3c(N3CCCCC3)n2)CC1 ZINC000035457705 520557792 /nfs/dbraw/zinc/55/77/92/520557792.db2.gz VPXRMCBSQNBHGM-UHFFFAOYSA-N 0 0 443.548 2.905 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1cccnc1)C(=O)[C@H]1CCCCN21 ZINC000035445595 520558018 /nfs/dbraw/zinc/55/80/18/520558018.db2.gz FAKQBVDEMLJZLJ-OAQYLSRUSA-N 0 0 449.555 2.586 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(OC)ccc1OC)C(=O)CO2 ZINC000035377059 520558059 /nfs/dbraw/zinc/55/80/59/520558059.db2.gz SKOBAWRREFOZAB-UHFFFAOYSA-N 0 0 441.484 2.550 50 0 IFAARN CCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1 ZINC000016455941 520559290 /nfs/dbraw/zinc/55/92/90/520559290.db2.gz MJHIKBFZFATHKA-HSZRJFAPSA-N 0 0 440.475 2.713 50 0 IFAARN CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)c3ccc(OC)c(OC)c3)CC2)nn1 ZINC000247911621 520564826 /nfs/dbraw/zinc/56/48/26/520564826.db2.gz KTDNPVJZEPXOEU-CALCHBBNSA-N 0 0 429.521 2.691 50 0 IFAARN CCCSCCCNC(=O)Cn1nc(C)n2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000021807971 520565293 /nfs/dbraw/zinc/56/52/93/520565293.db2.gz WHPYMFPAMSUUBZ-UHFFFAOYSA-N 0 0 429.546 2.525 50 0 IFAARN CCN(CC)C1=N[C@@](C(=O)OC)(C(F)(F)F)N=C(c2cc(OC)c(OC)c(OC)c2)O1 ZINC000012411589 520569088 /nfs/dbraw/zinc/56/90/88/520569088.db2.gz SZTBWNDSGDMDQS-SFHVURJKSA-N 0 0 447.410 2.619 50 0 IFAARN CCOC(=O)C1CCN(Cc2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)c(=O)[nH]2)CC1 ZINC000012508444 520577740 /nfs/dbraw/zinc/57/77/40/520577740.db2.gz DJMPSTHHHPEGOE-UHFFFAOYSA-N 0 0 441.572 2.705 50 0 IFAARN CC1(C)c2cc(S(=O)(=O)N3CCCC3)ccc2N(CC(=O)Nc2ccc(F)cc2)C1=O ZINC000035398699 520684727 /nfs/dbraw/zinc/68/47/27/520684727.db2.gz VKHNZJZRYSMDOU-UHFFFAOYSA-N 0 0 445.516 2.873 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)CS(=O)(=O)CC(=O)Nc2ccccc2)cc1 ZINC000022130727 520723319 /nfs/dbraw/zinc/72/33/19/520723319.db2.gz XQJZVABLZNXFKM-UHFFFAOYSA-N 0 0 432.498 2.636 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)n(C)c1 ZINC000026865261 520781431 /nfs/dbraw/zinc/78/14/31/520781431.db2.gz UJNQPAWSQLGBOX-NRFANRHFSA-N 0 0 449.573 2.954 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)N[C@@H]2CCCC[C@@H]2[S@@](=O)CC)cc1 ZINC000205788208 520787404 /nfs/dbraw/zinc/78/74/04/520787404.db2.gz YZMHUSFEMXWLAV-UMLWSSSTSA-N 0 0 440.631 2.926 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000012852697 520788651 /nfs/dbraw/zinc/78/86/51/520788651.db2.gz HBSHWARJRAMTKT-UHFFFAOYSA-N 0 0 445.513 2.832 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](C)Oc2ccc(OC)cc2)s1 ZINC000012820521 520794560 /nfs/dbraw/zinc/79/45/60/520794560.db2.gz ULYXRGFJMJXXFT-AWEZNQCLSA-N 0 0 426.560 2.871 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000023386072 520795533 /nfs/dbraw/zinc/79/55/33/520795533.db2.gz YRUGQZDTCWNHQX-UHFFFAOYSA-N 0 0 449.916 2.849 50 0 IFAARN CCOc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(C[C@H]4CCCO4)c3=O)n2)cc1 ZINC000023126723 520828758 /nfs/dbraw/zinc/82/87/58/520828758.db2.gz BKCZZWKBOWLCCM-GOSISDBHSA-N 0 0 448.479 2.839 50 0 IFAARN CC1=C(c2ccccc2)S(=O)(=O)N(CC(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000020597877 520843378 /nfs/dbraw/zinc/84/33/78/520843378.db2.gz KILYTOQTFRITFD-UHFFFAOYSA-N 0 0 446.353 2.924 50 0 IFAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)NCc1ccccc1 ZINC000020932392 520901232 /nfs/dbraw/zinc/90/12/32/520901232.db2.gz INLHBDFUFYAXQL-FQEVSTJZSA-N 0 0 426.513 2.873 50 0 IFAARN CCOC(=O)Cc1nnc(SCc2nc3c(C)cccc3c(=O)[nH]2)n1Cc1ccco1 ZINC000021521785 520914140 /nfs/dbraw/zinc/91/41/40/520914140.db2.gz KNGNLHQQOJQKIV-UHFFFAOYSA-N 0 0 439.497 2.862 50 0 IFAARN CCOC(=O)N1CCN(C(=O)COC(=O)c2c3ccccc3nc3c2C[C@@H](C)CC3)CC1 ZINC000021372820 520945435 /nfs/dbraw/zinc/94/54/35/520945435.db2.gz CDRWMFKOBDFDRL-INIZCTEOSA-N 0 0 439.512 2.817 50 0 IFAARN CCOC(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000012314944 520950034 /nfs/dbraw/zinc/95/00/34/520950034.db2.gz SJOMEMYRDKXHLV-INIZCTEOSA-N 0 0 441.450 2.745 50 0 IFAARN CC1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)CC1 ZINC000033021549 520950219 /nfs/dbraw/zinc/95/02/19/520950219.db2.gz TXLPZYBQBWHSCW-VUROTCPHSA-N 0 0 449.573 2.502 50 0 IFAARN CCOc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c(=O)[nH]c4cccnc43)cc2)cc1 ZINC000021881822 520952847 /nfs/dbraw/zinc/95/28/47/520952847.db2.gz LXNWFZVZFDTEIT-UHFFFAOYSA-N 0 0 444.491 2.504 50 0 IFAARN CCOC(=O)N1CCN([C@@H](c2ccc(C)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697752 520957981 /nfs/dbraw/zinc/95/79/81/520957981.db2.gz YUWRULOLKGPFBG-QFIPXVFZSA-N 0 0 443.544 2.681 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CNC(=O)c1sc3ccccc3c1Cl)C2=O ZINC000012909756 520964647 /nfs/dbraw/zinc/96/46/47/520964647.db2.gz VHRVEDYDWAYDPK-UHFFFAOYSA-N 0 0 448.932 2.816 50 0 IFAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)O[C@H](C)C(=O)NC1CC1 ZINC000012784693 520969212 /nfs/dbraw/zinc/96/92/12/520969212.db2.gz JJYLZXYBIGXVBJ-CQSZACIVSA-N 0 0 436.464 2.705 50 0 IFAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)O[C@@H](C)C(=O)NC1CC1 ZINC000012784691 520969260 /nfs/dbraw/zinc/96/92/60/520969260.db2.gz JJYLZXYBIGXVBJ-AWEZNQCLSA-N 0 0 436.464 2.705 50 0 IFAARN CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)CC1 ZINC000020578765 520974547 /nfs/dbraw/zinc/97/45/47/520974547.db2.gz DJDTUZPPMJNGMH-UHFFFAOYSA-N 0 0 433.574 2.621 50 0 IFAARN CCOc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1 ZINC000012776746 521036169 /nfs/dbraw/zinc/03/61/69/521036169.db2.gz VCSIXMQSIXAOHY-FQEVSTJZSA-N 0 0 437.496 2.774 50 0 IFAARN CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000020767308 521060575 /nfs/dbraw/zinc/06/05/75/521060575.db2.gz IIUTVEVLPXSYKK-UHFFFAOYSA-N 0 0 430.936 2.934 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H](CC)N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)cc1 ZINC000035403068 521103332 /nfs/dbraw/zinc/10/33/32/521103332.db2.gz TXNSXRVKYOVVEZ-HXUWFJFHSA-N 0 0 427.476 2.813 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000012662059 521104806 /nfs/dbraw/zinc/10/48/06/521104806.db2.gz DOLWFAQJRSQZTQ-KSFYIVLOSA-N 0 0 440.452 2.901 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 ZINC000012916632 521108448 /nfs/dbraw/zinc/10/84/48/521108448.db2.gz ZVJHIUNTKNZKKN-OAHLLOKOSA-N 0 0 442.965 2.930 50 0 IFAARN CCC(=O)N1CCN(Cc2nc3cc(NC(=O)COc4ccccc4)ccc3n2C)CC1 ZINC000020677345 521121712 /nfs/dbraw/zinc/12/17/12/521121712.db2.gz MACWCPJXRMLXFN-UHFFFAOYSA-N 0 0 435.528 2.645 50 0 IFAARN CCOc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N(C)OC)ccc2Cl)cc1 ZINC000012786229 521176642 /nfs/dbraw/zinc/17/66/42/521176642.db2.gz VDGUOBVHQXPVOK-UHFFFAOYSA-N 0 0 442.921 2.729 50 0 IFAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000012702239 521180478 /nfs/dbraw/zinc/18/04/78/521180478.db2.gz ZQAJBKJSKMWFFH-XMMPIXPASA-N 0 0 437.471 2.862 50 0 IFAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)c1ccc(OC)cc1 ZINC000033062643 521288368 /nfs/dbraw/zinc/28/83/68/521288368.db2.gz MVZQAZAVMBSFJC-UHFFFAOYSA-N 0 0 427.526 2.958 50 0 IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCc4ccccc4C)CC3)sc2n1 ZINC000020866177 521345508 /nfs/dbraw/zinc/34/55/08/521345508.db2.gz UDBYJHFORVQVCT-UHFFFAOYSA-N 0 0 425.558 2.945 50 0 IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCc4cccc(C)c4)CC3)sc2n1 ZINC000020866125 521346030 /nfs/dbraw/zinc/34/60/30/521346030.db2.gz OWNSRFFCGHRJLV-UHFFFAOYSA-N 0 0 425.558 2.945 50 0 IFAARN CCCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(OC)cc2)n(C)c1=O ZINC000011613332 521357609 /nfs/dbraw/zinc/35/76/09/521357609.db2.gz QHUQYZQOZZVLQS-UHFFFAOYSA-N 0 0 436.516 2.556 50 0 IFAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCN(C(=O)OCC)CC1 ZINC000035999886 521368371 /nfs/dbraw/zinc/36/83/71/521368371.db2.gz QMWZRHKBCAYKNN-CYBMUJFWSA-N 0 0 434.468 2.585 50 0 IFAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)C[C@H]2OC(=O)c3ccccc32)c(=O)[nH]c1=O ZINC000012927195 521368417 /nfs/dbraw/zinc/36/84/17/521368417.db2.gz BIOYOQZOHLVKRT-QGZVFWFLSA-N 0 0 442.516 2.600 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C ZINC000021916294 521379779 /nfs/dbraw/zinc/37/97/79/521379779.db2.gz UAGITYXPEKSUGK-QGZVFWFLSA-N 0 0 441.528 2.926 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)c1C ZINC000022225181 521379809 /nfs/dbraw/zinc/37/98/09/521379809.db2.gz VSULLISDCBPQLW-CYBMUJFWSA-N 0 0 439.559 2.817 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[C@@H](NC(C)=O)c1cccs1 ZINC000021487772 521386034 /nfs/dbraw/zinc/38/60/34/521386034.db2.gz SKBKXARROQFKJV-GFCCVEGCSA-N 0 0 437.543 2.860 50 0 IFAARN CCCCn1nc(C)c2c1nc(C)c(Cl)c2C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000020607277 521395895 /nfs/dbraw/zinc/39/58/95/521395895.db2.gz JNNDLBTZEQAHEX-UHFFFAOYSA-N 0 0 441.985 2.609 50 0 IFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(F)cc1C ZINC000021717656 521400456 /nfs/dbraw/zinc/40/04/56/521400456.db2.gz WSKPIYNDCWWDOG-UHFFFAOYSA-N 0 0 439.509 2.666 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CN1CCN(c3ncccn3)CC1)C[C@@H](C)CC2 ZINC000012770720 521414746 /nfs/dbraw/zinc/41/47/46/521414746.db2.gz QFWQBNZGCCNYMC-HNNXBMFYSA-N 0 0 443.573 2.600 50 0 IFAARN CCCN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000012681975 521421043 /nfs/dbraw/zinc/42/10/43/521421043.db2.gz FDXGZSAXIGHYSJ-KRWDZBQOSA-N 0 0 434.587 2.663 50 0 IFAARN CCN(Cc1cnn(C)c1)Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21 ZINC000020906518 521438870 /nfs/dbraw/zinc/43/88/70/521438870.db2.gz CUUMDVMSZHNTIF-IYBDPMFKSA-N 0 0 444.967 2.993 50 0 IFAARN CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000013113496 521445892 /nfs/dbraw/zinc/44/58/92/521445892.db2.gz BLKPYLDLODDUOJ-CYBMUJFWSA-N 0 0 447.542 2.796 50 0 IFAARN CCOc1ccccc1-n1ccn(CC(=O)Nc2ccc(OC)c(Cl)c2)c(=O)c1=O ZINC000022725398 521446148 /nfs/dbraw/zinc/44/61/48/521446148.db2.gz YLWHJQOKWRZIRK-UHFFFAOYSA-N 0 0 429.860 2.699 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(CC)cc2)cn1C ZINC000035376122 521448095 /nfs/dbraw/zinc/44/80/95/521448095.db2.gz SWEMFALJJLMYFL-SFHVURJKSA-N 0 0 433.530 2.556 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(Cc1ccc(C)cc1)C2=O ZINC000021781273 521453065 /nfs/dbraw/zinc/45/30/65/521453065.db2.gz ADGBOZIMHNNCDY-DEOSSOPVSA-N 0 0 440.544 2.945 50 0 IFAARN CCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)[C@H]1CCS(=O)(=O)C1 ZINC000012766882 521453213 /nfs/dbraw/zinc/45/32/13/521453213.db2.gz HUBYVESXRKOCDG-AWEZNQCLSA-N 0 0 437.587 2.532 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(c1cccc(F)c1)C2=O ZINC000021879033 521455461 /nfs/dbraw/zinc/45/54/61/521455461.db2.gz FZSOSCRHRFRROD-JOCHJYFZSA-N 0 0 428.464 2.677 50 0 IFAARN CCCc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)[nH]1 ZINC000021726706 521463134 /nfs/dbraw/zinc/46/31/34/521463134.db2.gz HOPCLYTYQUCMJZ-UHFFFAOYSA-N 0 0 437.591 2.971 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000012410990 521481955 /nfs/dbraw/zinc/48/19/55/521481955.db2.gz LHFOBMNSAPZYCO-FQEVSTJZSA-N 0 0 441.915 2.971 50 0 IFAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(S(=O)(=O)CC)CC2)n1 ZINC000035908744 521539484 /nfs/dbraw/zinc/53/94/84/521539484.db2.gz GGBMKWMWPDCSKX-UHFFFAOYSA-N 0 0 442.589 2.938 50 0 IFAARN CCCc1nc2oc3c(ncnc3N3CCN(CCO)CC3)c2c2c1COC(C)(C)C2 ZINC000020503978 521544409 /nfs/dbraw/zinc/54/44/09/521544409.db2.gz PCSXUBZGOPTMON-UHFFFAOYSA-N 0 0 425.533 2.689 50 0 IFAARN CCCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)s1 ZINC000012878764 521565282 /nfs/dbraw/zinc/56/52/82/521565282.db2.gz OTXBOLDTJQKFTQ-LBPRGKRZSA-N 0 0 444.966 2.854 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)c1N ZINC000021651875 521576736 /nfs/dbraw/zinc/57/67/36/521576736.db2.gz WLAFLBARNOMEPZ-UHFFFAOYSA-N 0 0 437.475 2.733 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccc(OC)c(OCC)c3)cc2)c1N ZINC000021652102 521578064 /nfs/dbraw/zinc/57/80/64/521578064.db2.gz AUZBTGYIRYWETO-UHFFFAOYSA-N 0 0 438.484 2.969 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc2)c1N ZINC000021652168 521579439 /nfs/dbraw/zinc/57/94/39/521579439.db2.gz WHBAOIHYFVWRBG-AWEZNQCLSA-N 0 0 436.468 2.893 50 0 IFAARN CCOC(=O)c1nn(Cc2ccncc2)c2c1CN(C(=O)Cc1sc(C)nc1C)CC2 ZINC000020781302 521604599 /nfs/dbraw/zinc/60/45/99/521604599.db2.gz UEFOFZNLFVWDCR-UHFFFAOYSA-N 0 0 439.541 2.704 50 0 IFAARN CCOC(=O)c1oc2ccccc2c1COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000012692577 521608505 /nfs/dbraw/zinc/60/85/05/521608505.db2.gz KVAPTMPALFFXED-HZPDHXFCSA-N 0 0 425.437 2.994 50 0 IFAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000016699508 521614923 /nfs/dbraw/zinc/61/49/23/521614923.db2.gz CDNGDPFVUDELFB-UHFFFAOYSA-N 0 0 441.513 2.973 50 0 IFAARN CCCn1c(N)c(-c2nc(CC)c(C(=O)c3ccc(OCC)cc3)s2)c(=O)n(C)c1=O ZINC000013145923 521630740 /nfs/dbraw/zinc/63/07/40/521630740.db2.gz TWDYVTDQHVXHCJ-UHFFFAOYSA-N 0 0 442.541 2.855 50 0 IFAARN CCCn1c2nnc(CCC(=O)NCc3cccc(OC)c3)n2c2ccsc2c1=O ZINC000035528690 521641411 /nfs/dbraw/zinc/64/14/11/521641411.db2.gz UYGITSGYKBHGOI-UHFFFAOYSA-N 0 0 425.514 2.773 50 0 IFAARN CCN1CCN(C(=O)CCCSc2ccc(NC(=O)c3ccc(F)cc3)nn2)CC1 ZINC000021149114 521662433 /nfs/dbraw/zinc/66/24/33/521662433.db2.gz XKOHLSAMCQITAC-UHFFFAOYSA-N 0 0 431.537 2.904 50 0 IFAARN CCCN(Cc1cc(NS(C)(=O)=O)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000034921883 521681826 /nfs/dbraw/zinc/68/18/26/521681826.db2.gz QAFKNFOGBYFLHT-UHFFFAOYSA-N 0 0 443.566 2.864 50 0 IFAARN CCS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000022285895 521689669 /nfs/dbraw/zinc/68/96/69/521689669.db2.gz ZORPVNMLWUHTSF-SPLOXXLWSA-N 0 0 435.546 2.556 50 0 IFAARN CCS(=O)(=O)c1ncc(CN2CCC[C@H](COc3cccc(F)c3)C2)n1CCOC ZINC000012446238 521694309 /nfs/dbraw/zinc/69/43/09/521694309.db2.gz SRKZRDHDZATGHF-KRWDZBQOSA-N 0 0 439.553 2.753 50 0 IFAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(C)o3)ncn2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021919364 521702280 /nfs/dbraw/zinc/70/22/80/521702280.db2.gz CDKMANSZKQZDJK-QHCPKHFHSA-N 0 0 443.548 2.501 50 0 IFAARN CCOCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000012750482 521711156 /nfs/dbraw/zinc/71/11/56/521711156.db2.gz UUMKPWZSNSIAHO-JOCHJYFZSA-N 0 0 425.529 2.712 50 0 IFAARN CCN1C[C@@H](CN(C)C(=O)CCn2nc(-c3cccs3)oc2=O)Oc2ccccc21 ZINC000012806531 521727448 /nfs/dbraw/zinc/72/74/48/521727448.db2.gz UCVIJJDDROQGIC-OAHLLOKOSA-N 0 0 428.514 2.701 50 0 IFAARN CCN1C[C@H](CN(C)C(=O)CCn2nc(-c3cccs3)oc2=O)Oc2ccccc21 ZINC000012806541 521729849 /nfs/dbraw/zinc/72/98/49/521729849.db2.gz UCVIJJDDROQGIC-HNNXBMFYSA-N 0 0 428.514 2.701 50 0 IFAARN CCN1c2ccccc2[C@@](CN2CCN(c3cccc(Cl)c3)CC2)(NC(C)=O)C1=O ZINC000020592199 521730991 /nfs/dbraw/zinc/73/09/91/521730991.db2.gz CAHXVOBDVBGBKK-HSZRJFAPSA-N 0 0 426.948 2.860 50 0 IFAARN CCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)[C@@H](C)CC ZINC000036023999 521739217 /nfs/dbraw/zinc/73/92/17/521739217.db2.gz SKFDJXNRDYRHRL-IBGZPJMESA-N 0 0 438.576 2.931 50 0 IFAARN CCNC(=O)NC(=O)[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1 ZINC000012512877 521742334 /nfs/dbraw/zinc/74/23/34/521742334.db2.gz HWOBHGZUKXWYMO-GOSISDBHSA-N 0 0 448.570 2.545 50 0 IFAARN CCc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000021112171 521749083 /nfs/dbraw/zinc/74/90/83/521749083.db2.gz OSANAXFBHFPZMM-UHFFFAOYSA-N 0 0 441.553 2.855 50 0 IFAARN COC(=O)c1c(C)c(C(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(OC)c2)c(C)n1C ZINC000036014505 521751609 /nfs/dbraw/zinc/75/16/09/521751609.db2.gz DHXNHVPHAYGCQI-IBGZPJMESA-N 0 0 442.512 2.941 50 0 IFAARN COC(=O)c1c2c(sc1NC(=S)N1CCN(c3ncccn3)CC1)C[C@H](C)CC2 ZINC000001118010 521785566 /nfs/dbraw/zinc/78/55/66/521785566.db2.gz XYERRKCFGODVIM-CYBMUJFWSA-N 0 0 431.587 2.969 50 0 IFAARN CCSc1nnc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)cc2)s1 ZINC000012599008 521796063 /nfs/dbraw/zinc/79/60/63/521796063.db2.gz OJUPOEAWFJDNHW-AWEZNQCLSA-N 0 0 444.604 2.990 50 0 IFAARN CCc1ccccc1N1C(=O)c2c(C(=O)OC)ncn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021926186 521852287 /nfs/dbraw/zinc/85/22/87/521852287.db2.gz HMFVWRFCLGPONA-RUZDIDTESA-N 0 0 446.507 2.968 50 0 IFAARN CCc1ccccc1N1C(=O)CN(S(=O)(=O)CC)C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000020928330 521853036 /nfs/dbraw/zinc/85/30/36/521853036.db2.gz SDGRWFQWTBFJSP-QHCPKHFHSA-N 0 0 449.617 2.845 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000012556456 521861701 /nfs/dbraw/zinc/86/17/01/521861701.db2.gz DGEVMSMFVUMSCK-SFHVURJKSA-N 0 0 426.536 2.996 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000012556455 521862698 /nfs/dbraw/zinc/86/26/98/521862698.db2.gz DGEVMSMFVUMSCK-GOSISDBHSA-N 0 0 426.536 2.996 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012807041 521864685 /nfs/dbraw/zinc/86/46/85/521864685.db2.gz FTRFLRAYCBJOOJ-UHFFFAOYSA-N 0 0 429.542 2.744 50 0 IFAARN CCc1ccccc1NC(=O)Cn1c2c(C)nn(CC)c2c(=O)n(Cc2ccccc2)c1=O ZINC000035374005 521880423 /nfs/dbraw/zinc/88/04/23/521880423.db2.gz NGLZXHAASZDBKB-UHFFFAOYSA-N 0 0 445.523 2.937 50 0 IFAARN CCc1ccccc1NC(=O)Cn1nc(N2CCN(c3ccc(F)cc3)CC2)ccc1=O ZINC000035375678 521883789 /nfs/dbraw/zinc/88/37/89/521883789.db2.gz JSZLWNGXNDXZPL-UHFFFAOYSA-N 0 0 435.503 2.910 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C2=O ZINC000021878257 521921860 /nfs/dbraw/zinc/92/18/60/521921860.db2.gz NFPWWZWVTHFMSN-XMMPIXPASA-N 0 0 438.528 2.842 50 0 IFAARN CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCN(Cc3cccs3)CC2)c1=O ZINC000020449671 521922821 /nfs/dbraw/zinc/92/28/21/521922821.db2.gz PKDKIWCZFYQGEF-UHFFFAOYSA-N 0 0 442.585 2.733 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCC(C)CC1)N(Cc1ccccc1)C2=O ZINC000021878356 521922818 /nfs/dbraw/zinc/92/28/18/521922818.db2.gz SDGMZWBHQMHXOI-HJMRYINQSA-N 0 0 438.528 2.779 50 0 IFAARN CC[C@@H](C)CN1C(=O)[C@H](C(C)C)NC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000036024586 521988399 /nfs/dbraw/zinc/98/83/99/521988399.db2.gz AGMTVAMWIBGUPQ-APWZRJJASA-N 0 0 425.570 2.809 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(OCCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000012811386 521989304 /nfs/dbraw/zinc/98/93/04/521989304.db2.gz BWZGUUARGGMZTA-UHFFFAOYSA-N 0 0 433.555 2.666 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc3c(c1)CCC3)n2C ZINC000015922719 521994052 /nfs/dbraw/zinc/99/40/52/521994052.db2.gz DOQDIXLEEVWBHS-UHFFFAOYSA-N 0 0 426.542 2.884 50 0 IFAARN COc1cc(=O)n2c(c1C(=O)N(C)Cc1cscn1)CCN(Cc1ccsc1)CC2 ZINC000020453169 522015352 /nfs/dbraw/zinc/01/53/52/522015352.db2.gz DSLIKPZSRYRQIO-UHFFFAOYSA-N 0 0 444.582 2.705 50 0 IFAARN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O ZINC000012753543 522044869 /nfs/dbraw/zinc/04/48/69/522044869.db2.gz DLGOVOFIWNHVBZ-JKSUJKDBSA-N 0 0 426.517 2.839 50 0 IFAARN COCCn1c(=O)c2ccccc2nc1S[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000017660756 522057224 /nfs/dbraw/zinc/05/72/24/522057224.db2.gz IWEYEVQHFILSIB-FQEVSTJZSA-N 0 0 439.537 2.735 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2CCc3[nH]c4c(C)cc(OC)cc4c(=O)c3C2)cc1 ZINC000033278743 522092182 /nfs/dbraw/zinc/09/21/82/522092182.db2.gz BPBLEKIHIAVJHD-UHFFFAOYSA-N 0 0 435.480 2.629 50 0 IFAARN COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cc1 ZINC000012382662 522092935 /nfs/dbraw/zinc/09/29/35/522092935.db2.gz LIVPONGUWTWOTN-UHFFFAOYSA-N 0 0 440.905 2.831 50 0 IFAARN COc1cc(C(=O)NCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000012540502 522103663 /nfs/dbraw/zinc/10/36/63/522103663.db2.gz QPXVVMXPWRANLP-KRWDZBQOSA-N 0 0 438.484 2.682 50 0 IFAARN COCCn1nc(C(=O)N(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)ccc1=O ZINC000021928601 522142572 /nfs/dbraw/zinc/14/25/72/522142572.db2.gz LDGAJCUGAFHRAI-UHFFFAOYSA-N 0 0 443.935 2.677 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc2OC)no1 ZINC000035538860 522143553 /nfs/dbraw/zinc/14/35/53/522143553.db2.gz QXTXUADDXKXCLY-UHFFFAOYSA-N 0 0 442.541 2.814 50 0 IFAARN COCCn1nc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)ccc1=O ZINC000021932967 522146575 /nfs/dbraw/zinc/14/65/75/522146575.db2.gz FJYLKARBWKFWEN-UHFFFAOYSA-N 0 0 429.480 2.672 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)Nc2c(=O)n(-c3ccccc3)n(C)c2C(C)C)cc1 ZINC000023081024 522159660 /nfs/dbraw/zinc/15/96/60/522159660.db2.gz TZBDDAODLSELCA-UHFFFAOYSA-N 0 0 429.498 2.887 50 0 IFAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000012896087 522214147 /nfs/dbraw/zinc/21/41/47/522214147.db2.gz BZQIKIFKRXPKJZ-UHFFFAOYSA-N 0 0 427.482 2.511 50 0 IFAARN COC(=O)c1cn(CC(=O)OCC(=O)c2ccc(CCNC(C)=O)s2)c2ccccc12 ZINC000021761528 522320485 /nfs/dbraw/zinc/32/04/85/522320485.db2.gz OXJSRTDAOXHNGZ-UHFFFAOYSA-N 0 0 442.493 2.594 50 0 IFAARN COC(=O)c1cnn(-c2ccc(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)cc2)c1N ZINC000015825764 522351067 /nfs/dbraw/zinc/35/10/67/522351067.db2.gz UZLSXEGEPXWCDO-QGZVFWFLSA-N 0 0 433.512 2.900 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1cccc(Cl)c1)[C@@](C)(C(=O)NC1CCCC1)C2 ZINC000021781623 522393031 /nfs/dbraw/zinc/39/30/31/522393031.db2.gz SWWJYZFKRMQVKK-JOCHJYFZSA-N 0 0 444.919 2.797 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1C)[C@@](C)(C(=O)NC1CCCCC1)C2 ZINC000021873114 522393644 /nfs/dbraw/zinc/39/36/44/522393644.db2.gz GZRSXMURZLOKHY-XMMPIXPASA-N 0 0 438.528 2.842 50 0 IFAARN CN(CC(=O)NC[C@@H]1COc2ccccc2O1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000009788983 522479650 /nfs/dbraw/zinc/47/96/50/522479650.db2.gz XAJJNVBQNXTYQE-CYBMUJFWSA-N 0 0 438.311 2.820 50 0 IFAARN CN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000020281656 522508664 /nfs/dbraw/zinc/50/86/64/522508664.db2.gz GMOYPQJVDFIMIV-UHFFFAOYSA-N 0 0 441.431 2.849 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000035307941 522517252 /nfs/dbraw/zinc/51/72/52/522517252.db2.gz NOGMKVCJCYAIFB-UHFFFAOYSA-N 0 0 433.512 2.666 50 0 IFAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnnn1-c1cccc(F)c1 ZINC000022255968 522519916 /nfs/dbraw/zinc/51/99/16/522519916.db2.gz JADIVDDLGSHXQH-UHFFFAOYSA-N 0 0 434.884 2.644 50 0 IFAARN CN(CC(=O)OCC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)c1ncccn1 ZINC000023199607 522534030 /nfs/dbraw/zinc/53/40/30/522534030.db2.gz WSSBTIURDMFHQV-JOCHJYFZSA-N 0 0 444.919 2.606 50 0 IFAARN CCc1nc2sc([C@H](c3cccc(OC)c3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854125 522536625 /nfs/dbraw/zinc/53/66/25/522536625.db2.gz GAJGUKGNUWVNAB-KRWDZBQOSA-N 0 0 430.530 2.996 50 0 IFAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000012789780 522625474 /nfs/dbraw/zinc/62/54/74/522625474.db2.gz UCHAAJKSOJEUKU-ZFWWWQNUSA-N 0 0 438.933 2.843 50 0 IFAARN COc1cc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc(OC)c1 ZINC000021871825 522670442 /nfs/dbraw/zinc/67/04/42/522670442.db2.gz BTLBDVJKHAZXRV-CQSZACIVSA-N 0 0 446.525 2.804 50 0 IFAARN CCc1nn(CC(=O)NCc2ccc(OC)cc2OC)c(=O)c2cc3sccc3n21 ZINC000020863772 522702215 /nfs/dbraw/zinc/70/22/15/522702215.db2.gz YBLFXXALPKWVCX-UHFFFAOYSA-N 0 0 426.498 2.607 50 0 IFAARN COCC(=O)N(C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000035948411 522719611 /nfs/dbraw/zinc/71/96/11/522719611.db2.gz MHFNEYTWABKPTP-INIZCTEOSA-N 0 0 431.514 2.548 50 0 IFAARN COc1cc(Nc2ncc3c(n2)CCN(S(=O)(=O)c2ccccc2)C3)cc(OC)c1 ZINC000035484032 522770496 /nfs/dbraw/zinc/77/04/96/522770496.db2.gz AMJANKKOIZJICN-UHFFFAOYSA-N 0 0 426.498 2.984 50 0 IFAARN COC(=O)C1(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)CCCCC1 ZINC000022475777 522860042 /nfs/dbraw/zinc/86/00/42/522860042.db2.gz VGZMIYHPBGRUFF-UHFFFAOYSA-N 0 0 436.324 2.621 50 0 IFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1ccc(C(F)(F)F)cc1 ZINC000021712944 522875519 /nfs/dbraw/zinc/87/55/19/522875519.db2.gz YJTACSHPBDLUBH-UHFFFAOYSA-N 0 0 427.375 2.862 50 0 IFAARN CN(CCOc1ccc(Br)cc1)C(=O)CSc1ncnc2c1cnn2C ZINC000021754744 522902996 /nfs/dbraw/zinc/90/29/96/522902996.db2.gz ALSMOXRDBIEDLI-UHFFFAOYSA-N 0 0 436.335 2.755 50 0 IFAARN COC(=O)C1CCN(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012811955 522912330 /nfs/dbraw/zinc/91/23/30/522912330.db2.gz DVYGLDPKCCKYLV-UHFFFAOYSA-N 0 0 449.857 2.641 50 0 IFAARN COc1cc([C@@H]2CN(C(=S)NC(C)C)C[C@@H]2C(=O)NCC2CC2)cc(OC)c1OC ZINC000036044705 522927249 /nfs/dbraw/zinc/92/72/49/522927249.db2.gz RSXMRAGPHOSBNY-IRXDYDNUSA-N 0 0 435.590 2.537 50 0 IFAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)N(C)[C@H](C)c3ccncn3)cc2)CC1 ZINC000012438514 522943684 /nfs/dbraw/zinc/94/36/84/522943684.db2.gz IAUZZPGURFRLFZ-QGZVFWFLSA-N 0 0 426.517 2.716 50 0 IFAARN CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 ZINC000012307558 522959215 /nfs/dbraw/zinc/95/92/15/522959215.db2.gz BNMNEGJFRBIYKI-HXUWFJFHSA-N 0 0 428.577 2.504 50 0 IFAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc(OC)c1OC ZINC000020568897 522962985 /nfs/dbraw/zinc/96/29/85/522962985.db2.gz GIJXYOBFDBVRFW-LJQANCHMSA-N 0 0 427.526 2.822 50 0 IFAARN COC(=O)CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012756007 522988636 /nfs/dbraw/zinc/98/86/36/522988636.db2.gz AXNNKNNWQPDMMY-UHFFFAOYSA-N 0 0 430.954 2.590 50 0 IFAARN CC[C@H]1CCCCN1C(=O)Cn1c2c(C)nn(CC)c2c(=O)n(Cc2ccccc2)c1=O ZINC000035374001 523008725 /nfs/dbraw/zinc/00/87/25/523008725.db2.gz YLDKSORYIISIKN-IBGZPJMESA-N 0 0 437.544 2.527 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc3c(c1)CCCN3S(C)(=O)=O)CC2 ZINC000012812174 523030305 /nfs/dbraw/zinc/03/03/05/523030305.db2.gz DIYFPULMAZYAPB-UHFFFAOYSA-N 0 0 430.526 2.615 50 0 IFAARN COc1cc2cc(C(=O)N[C@H](C(=O)Nc3ccccn3)C(C)C)[nH]c2c(OC)c1OC ZINC000020719726 523055614 /nfs/dbraw/zinc/05/56/14/523055614.db2.gz CMYKNMFTLZGZFJ-KRWDZBQOSA-N 0 0 426.473 2.982 50 0 IFAARN COc1cc2cc(C(=O)N[C@H](C)C(=O)Nc3nc(C)cs3)n(C)c2c(OC)c1OC ZINC000035686253 523055718 /nfs/dbraw/zinc/05/57/18/523055718.db2.gz NGYYVERTOYVIJY-LLVKDONJSA-N 0 0 432.502 2.726 50 0 IFAARN COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000012409866 523072495 /nfs/dbraw/zinc/07/24/95/523072495.db2.gz GYPXKFNWQAJZEW-KRWDZBQOSA-N 0 0 441.505 2.705 50 0 IFAARN CCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1cccc3ccccc31)c(=O)n2C ZINC000012231439 523090619 /nfs/dbraw/zinc/09/06/19/523090619.db2.gz ZUEGZJFDQKSQOX-UHFFFAOYSA-N 0 0 428.496 2.921 50 0 IFAARN CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCc3ccccc3C)cc2)c2cccnc21 ZINC000021153143 523101830 /nfs/dbraw/zinc/10/18/30/523101830.db2.gz KWOTVRZRCBLRMG-UHFFFAOYSA-N 0 0 428.492 2.865 50 0 IFAARN COc1ccc(-c2cc(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)on2)cc1 ZINC000012857881 523109494 /nfs/dbraw/zinc/10/94/94/523109494.db2.gz DDDQFBJVEFLSRM-UHFFFAOYSA-N 0 0 431.489 2.996 50 0 IFAARN CCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561201 523113591 /nfs/dbraw/zinc/11/35/91/523113591.db2.gz OUHUACFHFKLEPN-UHFFFAOYSA-N 0 0 440.569 2.874 50 0 IFAARN COc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2cc(C)cc(C)c2)cc1 ZINC000012445758 523145339 /nfs/dbraw/zinc/14/53/39/523145339.db2.gz WEZWIQSIYLPQJU-UHFFFAOYSA-N 0 0 429.480 2.968 50 0 IFAARN CN(Cc1c(Br)cnn1C)S(=O)(=O)c1ccc(Br)s1 ZINC000020608126 523152480 /nfs/dbraw/zinc/15/24/80/523152480.db2.gz ZPTKIGYZBBTBCY-UHFFFAOYSA-N 0 0 429.159 2.827 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)Cn1c2c(C)nn(CC)c2c(=O)n(Cc2ccccc2)c1=O ZINC000035373999 523154716 /nfs/dbraw/zinc/15/47/16/523154716.db2.gz YLDKSORYIISIKN-LJQANCHMSA-N 0 0 437.544 2.527 50 0 IFAARN COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@@H]1c1cccnc1 ZINC000034897626 523199651 /nfs/dbraw/zinc/19/96/51/523199651.db2.gz XLXCQPSCZFIKDR-DHIUTWEWSA-N 0 0 445.475 2.865 50 0 IFAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000015473002 523217701 /nfs/dbraw/zinc/21/77/01/523217701.db2.gz QAKIZGHELUHFMZ-UHFFFAOYSA-N 0 0 425.432 2.793 50 0 IFAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCCN3CCCC3=O)CC2)c2ccccc2O1 ZINC000020902386 523229432 /nfs/dbraw/zinc/22/94/32/523229432.db2.gz JPYXFVYQINZQMJ-IBGZPJMESA-N 0 0 442.560 2.625 50 0 IFAARN CCn1c(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)nnc1-c1ccncc1 ZINC000022187016 523234067 /nfs/dbraw/zinc/23/40/67/523234067.db2.gz HLCKNOPUJUXIBA-UHFFFAOYSA-N 0 0 433.559 2.781 50 0 IFAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(C(C)=O)CC2)cc1OC ZINC000020894974 523240719 /nfs/dbraw/zinc/24/07/19/523240719.db2.gz FXKQBCMQJQLCSY-UHFFFAOYSA-N 0 0 434.496 2.861 50 0 IFAARN COCc1nnc2c3ccccc3nc(N3CCN(C(=O)NCc4ccccc4)[C@H](C)C3)n12 ZINC000034707718 523254971 /nfs/dbraw/zinc/25/49/71/523254971.db2.gz WVMXYKRZPPYVGH-QGZVFWFLSA-N 0 0 445.527 2.844 50 0 IFAARN COc1ccc(-c2nnc([C@H](C)Sc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)o2)cc1 ZINC000021625789 523266349 /nfs/dbraw/zinc/26/63/49/523266349.db2.gz KXXXCDDBVJBVGT-RYUDHWBXSA-N 0 0 436.515 2.959 50 0 IFAARN COc1ccc(-c2nnc([C@H](C)N3CCN(CC(=O)N4CCCCCC4)CC3)o2)cc1 ZINC000022804467 523266753 /nfs/dbraw/zinc/26/67/53/523266753.db2.gz ZQXJOWNZCLRAML-SFHVURJKSA-N 0 0 427.549 2.826 50 0 IFAARN COC(=O)C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1 ZINC000012773910 523277804 /nfs/dbraw/zinc/27/78/04/523277804.db2.gz MHEQTSGGYJIUOW-QGZVFWFLSA-N 0 0 448.317 2.715 50 0 IFAARN CCn1c2ccccc2n(CC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1=O ZINC000022408789 523279378 /nfs/dbraw/zinc/27/93/78/523279378.db2.gz KJZFMYIUHFNOQZ-UHFFFAOYSA-N 0 0 433.434 2.586 50 0 IFAARN COCCCN1C(=O)C[C@@](CC(=O)N(CC2CC2)C[C@@H]2CCCO2)(c2ccccc2)C1=O ZINC000012098580 523285489 /nfs/dbraw/zinc/28/54/89/523285489.db2.gz XAYMMWNXGJIZIK-OFVILXPXSA-N 0 0 442.556 2.528 50 0 IFAARN COc1ccc(-c2noc(Cn3cnc4c(cnn4-c4ccc(OC)cc4)c3=O)n2)cc1 ZINC000033293085 523295222 /nfs/dbraw/zinc/29/52/22/523295222.db2.gz QUGKGSUCQIMCES-UHFFFAOYSA-N 0 0 430.424 2.698 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1cc(OC)ccc1OC ZINC000036045418 523351830 /nfs/dbraw/zinc/35/18/30/523351830.db2.gz HFYDZUVCTZNBAR-LEWJYISDSA-N 0 0 426.513 2.712 50 0 IFAARN COCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000021712290 523352993 /nfs/dbraw/zinc/35/29/93/523352993.db2.gz KASUOVQUVMIRLM-FQEVSTJZSA-N 0 0 427.476 2.835 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036060078 523353714 /nfs/dbraw/zinc/35/37/14/523353714.db2.gz WSTDOACQTZNICO-QZTJIDSGSA-N 0 0 432.542 2.774 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cc(OC)ccc1OC ZINC000036045417 523360932 /nfs/dbraw/zinc/36/09/32/523360932.db2.gz HFYDZUVCTZNBAR-RTWAWAEBSA-N 0 0 426.513 2.712 50 0 IFAARN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1O ZINC000012469146 523413031 /nfs/dbraw/zinc/41/30/31/523413031.db2.gz IGPYWEFJPKHNSD-REZTVBANSA-N 0 0 428.422 2.805 50 0 IFAARN COc1ccc(/C=C\C(=O)O[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000033463148 523431725 /nfs/dbraw/zinc/43/17/25/523431725.db2.gz QHDPIHOCWYFNLR-LEVJEWGPSA-N 0 0 438.524 2.993 50 0 IFAARN CN(Cc1ccncn1)C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 ZINC000020998086 523465903 /nfs/dbraw/zinc/46/59/03/523465903.db2.gz MKDCWMNXATZZRB-VMPITWQZSA-N 0 0 432.528 2.568 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccc(C)cc1)c(=O)n2CC(=O)Nc1cc(C)ccc1C ZINC000021713819 523487028 /nfs/dbraw/zinc/48/70/28/523487028.db2.gz FUEVNMGQAKVWFK-UHFFFAOYSA-N 0 0 445.523 2.992 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccc(C)cc1)c(=O)n2CC(=O)Nc1cc(C)cc(C)c1 ZINC000021713817 523487299 /nfs/dbraw/zinc/48/72/99/523487299.db2.gz BAQPJBZNLHIEJH-UHFFFAOYSA-N 0 0 445.523 2.992 50 0 IFAARN COc1ccc(Br)cc1CN(C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000012683816 523493864 /nfs/dbraw/zinc/49/38/64/523493864.db2.gz IGFWVPVPDKMYGV-UHFFFAOYSA-N 0 0 438.322 2.671 50 0 IFAARN COc1ccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)NC(C)C ZINC000012813121 523600201 /nfs/dbraw/zinc/60/02/01/523600201.db2.gz FMIOSPMKIRJCBF-UHFFFAOYSA-N 0 0 447.557 2.709 50 0 IFAARN CN(Cc1nccs1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000012297143 523601264 /nfs/dbraw/zinc/60/12/64/523601264.db2.gz ZJJYMWOOZSHJGP-UHFFFAOYSA-N 0 0 443.978 2.872 50 0 IFAARN COc1ccc(C(=O)N(C)Cc2[nH]nc3c2CCCC3)cc1OC1CCN(C(C)=O)CC1 ZINC000012444352 523604276 /nfs/dbraw/zinc/60/42/76/523604276.db2.gz PIHVVSMSAGVKPO-UHFFFAOYSA-N 0 0 440.544 2.959 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCC4)C3)c(C)cc2NC1=O ZINC000035379259 523605514 /nfs/dbraw/zinc/60/55/14/523605514.db2.gz LMIYEPVMDHMWTK-YJBOKZPZSA-N 0 0 449.573 2.564 50 0 IFAARN CC[S@@](=O)c1ccccc1C(=O)OCc1nc(N)nc(Nc2ccccc2OC)n1 ZINC000021740678 523639310 /nfs/dbraw/zinc/63/93/10/523639310.db2.gz VLKOAKPASNUWON-PMERELPUSA-N 0 0 427.486 2.691 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1sccc1C)C(=O)COC ZINC000035948549 523655399 /nfs/dbraw/zinc/65/53/99/523655399.db2.gz PJFBROGCSOLHLL-INIZCTEOSA-N 0 0 435.571 2.917 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1)C(C)=O ZINC000035948369 523655820 /nfs/dbraw/zinc/65/58/20/523655820.db2.gz UVBDBKVWJNUFIV-SFHVURJKSA-N 0 0 445.541 2.938 50 0 IFAARN COc1ccc(C(=O)NCc2ccccc2OC(F)F)cc1S(=O)(=O)NC(C)C ZINC000012827317 523715842 /nfs/dbraw/zinc/71/58/42/523715842.db2.gz CLMMQBHDUNXKMC-UHFFFAOYSA-N 0 0 428.457 2.913 50 0 IFAARN CN1C(=O)c2cc(C(=O)Nc3cccc(F)c3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021875298 523730904 /nfs/dbraw/zinc/73/09/04/523730904.db2.gz ZFZVHIPUGCHJCZ-QHCPKHFHSA-N 0 0 441.507 2.958 50 0 IFAARN CN1C(=O)c2cc(C(=O)Nc3cc(F)ccc3F)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021874921 523731831 /nfs/dbraw/zinc/73/18/31/523731831.db2.gz RXMMIOOAMMNVEB-QFIPXVFZSA-N 0 0 445.470 2.707 50 0 IFAARN COc1ccc(C(=O)N[C@H](CCSC)C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000012595863 523736401 /nfs/dbraw/zinc/73/64/01/523736401.db2.gz NEFAQIJZNJRIJL-LJQANCHMSA-N 0 0 444.553 2.977 50 0 IFAARN COc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000012521945 523758837 /nfs/dbraw/zinc/75/88/37/523758837.db2.gz AREBZRVBCYRCKI-UHFFFAOYSA-N 0 0 445.541 2.569 50 0 IFAARN COc1ccc(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)c(C)c1 ZINC000011873814 523776070 /nfs/dbraw/zinc/77/60/70/523776070.db2.gz BCOVBXTUARXATQ-CQSZACIVSA-N 0 0 425.938 2.983 50 0 IFAARN COc1ccc(C(=O)[C@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1OC ZINC000021670235 523778282 /nfs/dbraw/zinc/77/82/82/523778282.db2.gz FWYHFYITVBULFA-ZEQRLZLVSA-N 0 0 440.540 2.661 50 0 IFAARN CC[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035402966 523784375 /nfs/dbraw/zinc/78/43/75/523784375.db2.gz OXEJZFXYBZYHGH-LJQANCHMSA-N 0 0 431.895 2.745 50 0 IFAARN CCc1cc(N2CCCC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)o2)n1 ZINC000036028456 523793308 /nfs/dbraw/zinc/79/33/08/523793308.db2.gz ACKXHZZHCBYHOD-UHFFFAOYSA-N 0 0 443.573 2.829 50 0 IFAARN CCc1cc(N2CCN(C(C)=O)CC2)nc(SCc2cccc(C(=O)NC3CC3)c2)n1 ZINC000036038535 523795648 /nfs/dbraw/zinc/79/56/48/523795648.db2.gz NOJCZASYGXQZRN-UHFFFAOYSA-N 0 0 439.585 2.892 50 0 IFAARN COCCN1C(=O)c2cc(-c3ccccc3)nn2C[C@]1(C)C(=O)NCc1ccccc1OC ZINC000021854370 523809767 /nfs/dbraw/zinc/80/97/67/523809767.db2.gz LOPBWRWRGNWFLV-RUZDIDTESA-N 0 0 448.523 2.736 50 0 IFAARN COCCN1CC(=O)N2C[C@H](c3ccccc3OC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012878142 523811036 /nfs/dbraw/zinc/81/10/36/523811036.db2.gz PMTSKOSSJVLASK-CJAUYULYSA-N 0 0 433.508 2.854 50 0 IFAARN CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O)[C@H]1CCCc2ccccc21 ZINC000032571523 523817270 /nfs/dbraw/zinc/81/72/70/523817270.db2.gz YIVUKXMIHORRGD-UQBPGWFLSA-N 0 0 449.507 2.761 50 0 IFAARN COc1ccc(C)cc1NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000012602334 523823161 /nfs/dbraw/zinc/82/31/61/523823161.db2.gz WVYSFFSERPWVNU-UHFFFAOYSA-N 0 0 430.530 2.712 50 0 IFAARN CCc1cc2c(COC(=O)CCn3cnc4sccc4c3=O)cc(=O)oc2cc1O ZINC000012876989 523845925 /nfs/dbraw/zinc/84/59/25/523845925.db2.gz GNPMQCTXBPCEFJ-UHFFFAOYSA-N 0 0 426.450 2.966 50 0 IFAARN CCc1ccc(-n2c(-c3ccc(OC)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000012413461 523865943 /nfs/dbraw/zinc/86/59/43/523865943.db2.gz ZXMDWWGDKTUNOM-UHFFFAOYSA-N 0 0 429.480 2.914 50 0 IFAARN CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000012763813 523871288 /nfs/dbraw/zinc/87/12/88/523871288.db2.gz YJHRHTADPFEIBD-QHCPKHFHSA-N 0 0 441.597 2.919 50 0 IFAARN COc1ccc(C2=C(C)C(=O)N(CC(=O)NCc3ccccc3Cl)S2(=O)=O)cc1 ZINC000035534595 523872425 /nfs/dbraw/zinc/87/24/25/523872425.db2.gz LNGRITIJDBHLEM-UHFFFAOYSA-N 0 0 434.901 2.568 50 0 IFAARN COc1ccc(CC(=O)N2CCN(C(=O)c3cc(-c4cccc(OC)c4)n[nH]3)CC2)cc1 ZINC000021017211 523893751 /nfs/dbraw/zinc/89/37/51/523893751.db2.gz KZNAIJGDWPTWDI-UHFFFAOYSA-N 0 0 434.496 2.621 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)cc1 ZINC000041157924 523909729 /nfs/dbraw/zinc/90/97/29/523909729.db2.gz FOMOXFIJVFWWSG-RTWAWAEBSA-N 0 0 426.513 2.740 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(=O)c1ccccc1Br ZINC000041157688 523910361 /nfs/dbraw/zinc/91/03/61/523910361.db2.gz BENDOUGOBOACGP-SFHVURJKSA-N 0 0 447.329 2.860 50 0 IFAARN COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036059773 523912858 /nfs/dbraw/zinc/91/28/58/523912858.db2.gz ILJKTVCLLOIUPF-WOJBJXKFSA-N 0 0 446.931 2.976 50 0 IFAARN COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036059761 523913477 /nfs/dbraw/zinc/91/34/77/523913477.db2.gz GTXVYNHPMISGAS-NHCUHLMSSA-N 0 0 426.513 2.631 50 0 IFAARN COCCNC(=O)[C@@]1(C)Cn2c3ccccc3nc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000021862479 523914502 /nfs/dbraw/zinc/91/45/02/523914502.db2.gz ARNQYJGSRWYIHO-HSZRJFAPSA-N 0 0 440.931 2.910 50 0 IFAARN COCCNC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1c1ccc(OC)cc1OC ZINC000036059776 523920839 /nfs/dbraw/zinc/92/08/39/523920839.db2.gz ILJKTVCLLOIUPF-PMACEKPBSA-N 0 0 446.931 2.976 50 0 IFAARN COCCNC(=O)c1ccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000012662376 523923115 /nfs/dbraw/zinc/92/31/15/523923115.db2.gz FWDVGYOSQDFJDE-DEOSSOPVSA-N 0 0 432.480 2.784 50 0 IFAARN COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000012757513 523926806 /nfs/dbraw/zinc/92/68/06/523926806.db2.gz BFCNVRSHUGOFFT-UHFFFAOYSA-N 0 0 438.933 2.941 50 0 IFAARN COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O ZINC000012038017 523928964 /nfs/dbraw/zinc/92/89/64/523928964.db2.gz HHAYTEJFSONWNO-UHFFFAOYSA-N 0 0 443.588 2.969 50 0 IFAARN COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1OC ZINC000020726753 523951629 /nfs/dbraw/zinc/95/16/29/523951629.db2.gz XOSFXHLAEQFENH-INIZCTEOSA-N 0 0 426.469 2.505 50 0 IFAARN COc1ccc(CCN2C[C@H](C(=O)N3CCC(O)(c4ccccc4)CC3)CCC2=O)cc1 ZINC000015063642 523951894 /nfs/dbraw/zinc/95/18/94/523951894.db2.gz TUQRYJWSNCZJCS-OAQYLSRUSA-N 0 0 436.552 2.987 50 0 IFAARN COc1ccc(CCN2C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1OC ZINC000020726758 523952300 /nfs/dbraw/zinc/95/23/00/523952300.db2.gz XOSFXHLAEQFENH-MRXNPFEDSA-N 0 0 426.469 2.505 50 0 IFAARN COc1ccc(CCNC(=O)CCNC(=O)c2ccc(Br)o2)cc1OC ZINC000020663696 523955752 /nfs/dbraw/zinc/95/57/52/523955752.db2.gz XGGXVVTWILUGBM-UHFFFAOYSA-N 0 0 425.279 2.538 50 0 IFAARN COc1ccc(CCNC(=O)CCn2nc(-c3ccc(F)cc3)ccc2=O)cc1OC ZINC000041254613 523956566 /nfs/dbraw/zinc/95/65/66/523956566.db2.gz BNUSCKSLYDXCER-UHFFFAOYSA-N 0 0 425.460 2.816 50 0 IFAARN COc1ccc(CCNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015391173 523959757 /nfs/dbraw/zinc/95/97/57/523959757.db2.gz YOKPUXBVOJBLON-IBGZPJMESA-N 0 0 446.569 2.996 50 0 IFAARN COc1ccc(CCNC(=O)c2ccc(CN3c4ccnn4CCC3=O)cc2)cc1OC ZINC000035373656 523968887 /nfs/dbraw/zinc/96/88/87/523968887.db2.gz KERYGCBOJXVXPC-UHFFFAOYSA-N 0 0 434.496 2.810 50 0 IFAARN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1c2ccccc2CC[C@@H]1C ZINC000021472861 523971666 /nfs/dbraw/zinc/97/16/66/523971666.db2.gz WTOKFCRPUPZXEW-ZDUSSCGKSA-N 0 0 445.541 2.738 50 0 IFAARN CCc1ccc(NC(=O)CCc2nnc3ccc(NCCCN4CCCC4=O)nn32)cc1 ZINC000015776771 523971764 /nfs/dbraw/zinc/97/17/64/523971764.db2.gz ASVQHQUGSMZTCZ-UHFFFAOYSA-N 0 0 435.532 2.682 50 0 IFAARN CC[C@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O ZINC000032947219 523975549 /nfs/dbraw/zinc/97/55/49/523975549.db2.gz AJTFAPPQWZJZOY-WDEREUQCSA-N 0 0 428.352 2.547 50 0 IFAARN CCc1ccc(NC(=O)Cn2c3cn(CC)nc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000021713668 523977104 /nfs/dbraw/zinc/97/71/04/523977104.db2.gz LMCKXCXCNSPDIH-UHFFFAOYSA-N 0 0 449.486 2.768 50 0 IFAARN CN(C)C(=O)CN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000035334316 523987133 /nfs/dbraw/zinc/98/71/33/523987133.db2.gz YSUOXBXCACVHHV-UHFFFAOYSA-N 0 0 437.569 2.506 50 0 IFAARN COc1ccc(CN(C)C(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1F ZINC000012752261 523994259 /nfs/dbraw/zinc/99/42/59/523994259.db2.gz TXQDXAYNCAPLLS-UHFFFAOYSA-N 0 0 433.911 2.904 50 0 IFAARN CC[C@H](C)OC(=O)c1c2c(sc1NC(=O)Cn1cnc3c(cnn3C)c1=O)CCCC2 ZINC000020607114 524008392 /nfs/dbraw/zinc/00/83/92/524008392.db2.gz ZYOXCTQFSOLTLW-LBPRGKRZSA-N 0 0 443.529 2.664 50 0 IFAARN COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 ZINC000035840362 524023923 /nfs/dbraw/zinc/02/39/23/524023923.db2.gz BZEPJWXKQNVYGN-UHFFFAOYSA-N 0 0 444.875 2.597 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCCC1)C(=O)[C@@H]1CCCCN21 ZINC000021649005 524026500 /nfs/dbraw/zinc/02/65/00/524026500.db2.gz HAPMTPQCDMYIQR-FQEVSTJZSA-N 0 0 426.561 2.933 50 0 IFAARN CN1Cc2ccccc2C[C@H]1CNC(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000020453705 524028588 /nfs/dbraw/zinc/02/85/88/524028588.db2.gz SFZXGCMVZUZBRM-FQEVSTJZSA-N 0 0 444.495 2.621 50 0 IFAARN CN1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCC4)C3)cc2C(C)(C)C1=O ZINC000020487967 524033335 /nfs/dbraw/zinc/03/33/35/524033335.db2.gz ZNRFVILABUZVAN-INIZCTEOSA-N 0 0 447.601 2.790 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCc3sccc3C2)c(C)c1C ZINC000012299131 524034673 /nfs/dbraw/zinc/03/46/73/524034673.db2.gz FPVQWOLCNSRRMX-LJQANCHMSA-N 0 0 427.570 2.649 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccc3ncccc3c2)c(C)c1C ZINC000012307643 524034709 /nfs/dbraw/zinc/03/47/09/524034709.db2.gz NLZWNRWRMWOAHS-QHCPKHFHSA-N 0 0 446.551 2.867 50 0 IFAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3cnccn3)C2)c(OC)c1 ZINC000012430393 524048244 /nfs/dbraw/zinc/04/82/44/524048244.db2.gz ALXIHBMICSLFQT-GOSISDBHSA-N 0 0 440.544 2.762 50 0 IFAARN COc1ccc(CNC(=O)CCc2nc3c(C)nn(-c4ccc(C)cc4)c3n(C)c2=O)cc1 ZINC000021040313 524048950 /nfs/dbraw/zinc/04/89/50/524048950.db2.gz IGNHYTYHGFMCLB-UHFFFAOYSA-N 0 0 445.523 2.994 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3c(c(=O)n4nc(-c5ccc(C)cc5)nc42)CCC3)cc1 ZINC000033324803 524055183 /nfs/dbraw/zinc/05/51/83/524055183.db2.gz WMPVHSBUUDNDPM-UHFFFAOYSA-N 0 0 443.507 2.680 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c(OC)c1 ZINC000020563167 524055654 /nfs/dbraw/zinc/05/56/54/524055654.db2.gz LQLPRVFNUJMBHU-UHFFFAOYSA-N 0 0 447.495 2.533 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(N4CCCCC4=O)s3)C2)cc1 ZINC000021027836 524063222 /nfs/dbraw/zinc/06/32/22/524063222.db2.gz JNERLSKWGARRBS-MRXNPFEDSA-N 0 0 429.546 2.596 50 0 IFAARN CCc1cccc(CC)c1NC(=O)CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000015048909 524067989 /nfs/dbraw/zinc/06/79/89/524067989.db2.gz LJVONDQMFVGURI-QFIPXVFZSA-N 0 0 437.540 2.876 50 0 IFAARN CNC(=O)NC(=O)CCSc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(F)cc1 ZINC000012738398 524077404 /nfs/dbraw/zinc/07/74/04/524077404.db2.gz SURDIMKAGTUGHY-AWEZNQCLSA-N 0 0 434.541 2.891 50 0 IFAARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C(N)=O)cnn32)c1OC ZINC000044891946 524108381 /nfs/dbraw/zinc/10/83/81/524108381.db2.gz SNMWIUAFYSQWBT-LJQANCHMSA-N 0 0 433.468 2.927 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CCC(N)=O)c2ccccc2)cc1 ZINC000012792017 524118430 /nfs/dbraw/zinc/11/84/30/524118430.db2.gz GTAWIQFJGQWPER-QGZVFWFLSA-N 0 0 429.542 2.772 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)CCS(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000020848214 524121169 /nfs/dbraw/zinc/12/11/69/524121169.db2.gz MDSFVEPYCCDXAC-UHFFFAOYSA-N 0 0 444.582 2.821 50 0 IFAARN Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 ZINC000020761826 524134554 /nfs/dbraw/zinc/13/45/54/524134554.db2.gz KDYLPGMETDCOJI-UHFFFAOYSA-N 0 0 437.905 2.547 50 0 IFAARN Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)c1 ZINC000035452641 524135386 /nfs/dbraw/zinc/13/53/86/524135386.db2.gz NMCLUCNDFLZDDE-HNNXBMFYSA-N 0 0 431.514 2.590 50 0 IFAARN COc1cccc([C@@]2(CC(=O)N3CCC(OC)CC3)CC(=O)N(C3CCCC3)C2=O)c1 ZINC000012201733 524137542 /nfs/dbraw/zinc/13/75/42/524137542.db2.gz QRWDQXPFUVSEFM-XMMPIXPASA-N 0 0 428.529 2.662 50 0 IFAARN Cc1cccc(-n2ncc3c2nc2n(c3=O)[C@@H](CC(=O)NCc3cccnc3)CS2)c1 ZINC000012663927 524147670 /nfs/dbraw/zinc/14/76/70/524147670.db2.gz ROCUKGOFOOZAJG-KRWDZBQOSA-N 0 0 432.509 2.639 50 0 IFAARN COc1cccc([C@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2nccn2C)c1 ZINC000012548112 524162782 /nfs/dbraw/zinc/16/27/82/524162782.db2.gz CLIVEUFCASSSBL-KRWDZBQOSA-N 0 0 435.452 2.944 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012805881 524164768 /nfs/dbraw/zinc/16/47/68/524164768.db2.gz AFCVYTWXTSVZND-RHSMWYFYSA-N 0 0 448.416 2.995 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022780842 524169315 /nfs/dbraw/zinc/16/93/15/524169315.db2.gz NDJSQJYOFFRUPK-IAGOWNOFSA-N 0 0 429.590 2.818 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCN1C(=O)COc2ccccc21 ZINC000012790252 524222934 /nfs/dbraw/zinc/22/29/34/524222934.db2.gz PCVUSVMKRPRTRL-UHFFFAOYSA-N 0 0 431.876 2.561 50 0 IFAARN Cc1ccc(C2=NC3(CCN(CC(=O)Nc4cc(F)ccc4F)CC3)NC2=O)cc1C ZINC000035430831 524230604 /nfs/dbraw/zinc/23/06/04/524230604.db2.gz FTWYHDOYGORQAK-UHFFFAOYSA-N 0 0 426.467 2.931 50 0 IFAARN C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012887125 524243510 /nfs/dbraw/zinc/24/35/10/524243510.db2.gz VDQDXBBARHBDTC-HNNXBMFYSA-N 0 0 449.523 2.787 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000035436360 524245532 /nfs/dbraw/zinc/24/55/32/524245532.db2.gz ADORENBWWCNFAZ-UXHICEINSA-N 0 0 429.586 2.519 50 0 IFAARN COc1cccc2cc(-c3ccc(OCC(=O)N4CCN(C(C)=O)CC4)cc3)c(=O)oc21 ZINC000012390857 524255096 /nfs/dbraw/zinc/25/50/96/524255096.db2.gz PDEBBKRUMRLKPL-UHFFFAOYSA-N 0 0 436.464 2.538 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012882360 524255834 /nfs/dbraw/zinc/25/58/34/524255834.db2.gz VAZFWUVKEJFXHJ-INIZCTEOSA-N 0 0 431.533 2.648 50 0 IFAARN COc1ccccc1-c1cc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)on1 ZINC000012900852 524267154 /nfs/dbraw/zinc/26/71/54/524267154.db2.gz IEIYPZHLBOHKDC-UHFFFAOYSA-N 0 0 431.489 2.996 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)CC1 ZINC000035264450 524275264 /nfs/dbraw/zinc/27/52/64/524275264.db2.gz IIOMSJLGIPRFJV-HXUWFJFHSA-N 0 0 436.556 2.595 50 0 IFAARN C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000012525296 524280593 /nfs/dbraw/zinc/28/05/93/524280593.db2.gz CLLRCOYOLBPFFJ-AWEZNQCLSA-N 0 0 435.509 2.785 50 0 IFAARN Cc1cc(C)cc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)c1 ZINC000011665878 524362334 /nfs/dbraw/zinc/36/23/34/524362334.db2.gz PRPYMAQWIRUQTK-UHFFFAOYSA-N 0 0 431.475 2.929 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000020787605 524397932 /nfs/dbraw/zinc/39/79/32/524397932.db2.gz VRULPJNKWFMJKE-IOASZLSFSA-N 0 0 425.323 2.663 50 0 IFAARN C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)[C@@H]1C ZINC000020558108 524408922 /nfs/dbraw/zinc/40/89/22/524408922.db2.gz VMSBOKRHIFXODJ-CLCXKQKWSA-N 0 0 427.526 2.981 50 0 IFAARN COc1ccccc1CCN1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2C)C1 ZINC000012372487 524410992 /nfs/dbraw/zinc/41/09/92/524410992.db2.gz FPDOGHHJURBBIT-UHFFFAOYSA-N 0 0 426.904 2.924 50 0 IFAARN Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)c1 ZINC000012348227 524420432 /nfs/dbraw/zinc/42/04/32/524420432.db2.gz IMLHCAFTCIEHKF-UHFFFAOYSA-N 0 0 429.933 2.944 50 0 IFAARN Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000022914053 524432019 /nfs/dbraw/zinc/43/20/19/524432019.db2.gz LRYKIFYUYKHXAA-DHIUTWEWSA-N 0 0 441.597 2.788 50 0 IFAARN Cc1cc(C)cc(OCCN(C)C(=O)CCCNC2=NS(=O)(=O)c3ccccc32)c1 ZINC000024390532 524446363 /nfs/dbraw/zinc/44/63/63/524446363.db2.gz GJQFSUBBBPVGJF-UHFFFAOYSA-N 0 0 429.542 2.660 50 0 IFAARN Cc1ccc(CN2CCN(C3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)C(=O)C2=O)cc1 ZINC000035376448 524458342 /nfs/dbraw/zinc/45/83/42/524458342.db2.gz LMRPLDCSMADQJG-UHFFFAOYSA-N 0 0 448.567 2.537 50 0 IFAARN COc1ccccc1CNC(=O)CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2 ZINC000010186682 524465831 /nfs/dbraw/zinc/46/58/31/524465831.db2.gz LRJQIFPJQLZVLH-UHFFFAOYSA-N 0 0 436.537 2.592 50 0 IFAARN COc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000012751639 524487912 /nfs/dbraw/zinc/48/79/12/524487912.db2.gz LWEVKMOPLRVUJC-UHFFFAOYSA-N 0 0 427.476 2.784 50 0 IFAARN COc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1Cl ZINC000020824034 524492836 /nfs/dbraw/zinc/49/28/36/524492836.db2.gz REHFKDSRNVKTJM-QGZVFWFLSA-N 0 0 426.860 2.932 50 0 IFAARN COc1ccccc1CNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1cnn2C ZINC000021929987 524493885 /nfs/dbraw/zinc/49/38/85/524493885.db2.gz PFNBYNHPTHZXAE-UHFFFAOYSA-N 0 0 447.499 2.539 50 0 IFAARN Cc1cccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 ZINC000020487142 524511701 /nfs/dbraw/zinc/51/17/01/524511701.db2.gz HRBZLHRTBMGSAV-UHFFFAOYSA-N 0 0 429.542 2.533 50 0 IFAARN COc1ccccc1Cn1c(=O)c2cccnc2n(CC(=O)Nc2cc(C)cc(C)c2)c1=O ZINC000020861205 524518572 /nfs/dbraw/zinc/51/85/72/524518572.db2.gz DZVOPTPFZXQXAG-UHFFFAOYSA-N 0 0 444.491 2.871 50 0 IFAARN Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1 ZINC000021087931 524522324 /nfs/dbraw/zinc/52/23/24/524522324.db2.gz CGYPUMOINIASKP-UHFFFAOYSA-N 0 0 426.542 2.703 50 0 IFAARN COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1OC ZINC000035456053 524527081 /nfs/dbraw/zinc/52/70/81/524527081.db2.gz NOAOVWDHVKFOED-UHFFFAOYSA-N 0 0 448.523 2.766 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)CN1CCCN(Cc2ccc(F)cc2)S1(=O)=O ZINC000020996615 524530817 /nfs/dbraw/zinc/53/08/17/524530817.db2.gz YJWKZCCUSASMRF-SFHVURJKSA-N 0 0 433.549 2.716 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nccc(C)n2)cc1 ZINC000017143977 524531197 /nfs/dbraw/zinc/53/11/97/524531197.db2.gz JHXLDUOWPXLSEL-UHFFFAOYSA-N 0 0 426.498 2.895 50 0 IFAARN Cc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCCC2)c1C ZINC000015680148 524532164 /nfs/dbraw/zinc/53/21/64/524532164.db2.gz BEDIXUKSCLPRSF-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4nsnc43)C[C@@H]2C)c1 ZINC000020848231 524545054 /nfs/dbraw/zinc/54/50/54/524545054.db2.gz JRBBWZOFXSWXEG-INIZCTEOSA-N 0 0 444.582 2.901 50 0 IFAARN Cc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C(C)C)cc1 ZINC000021535728 524548133 /nfs/dbraw/zinc/54/81/33/524548133.db2.gz KJDFBWHRHKCDQP-JOCHJYFZSA-N 0 0 443.569 2.889 50 0 IFAARN Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C[C@@H]2C)c1 ZINC000012637680 524550791 /nfs/dbraw/zinc/55/07/91/524550791.db2.gz WLHMDQWVJUHDKN-OALUTQOASA-N 0 0 435.524 2.856 50 0 IFAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)c1 ZINC000021113576 524583101 /nfs/dbraw/zinc/58/31/01/524583101.db2.gz KUYCCTMFVNQDQQ-UHFFFAOYSA-N 0 0 425.510 2.876 50 0 IFAARN Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1C ZINC000021111909 524584430 /nfs/dbraw/zinc/58/44/30/524584430.db2.gz SBIGSAAXFPFRON-UHFFFAOYSA-N 0 0 441.553 2.910 50 0 IFAARN COc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)N2Cc3ccccc3C2=O)cc1Cl ZINC000020282442 524609798 /nfs/dbraw/zinc/60/97/98/524609798.db2.gz ZBUJJYAWUZIBAB-KRWDZBQOSA-N 0 0 436.917 2.746 50 0 IFAARN Cc1ccc(COc2cn(CC(=O)N3CCN(c4ccccc4)CC3)c(CO)cc2=O)cc1 ZINC000012231160 524631578 /nfs/dbraw/zinc/63/15/78/524631578.db2.gz PGFYXERQLURNQG-UHFFFAOYSA-N 0 0 447.535 2.577 50 0 IFAARN Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1C ZINC000035449208 524650389 /nfs/dbraw/zinc/65/03/89/524650389.db2.gz DZRWPXRLZQFSTP-SFHVURJKSA-N 0 0 443.525 2.735 50 0 IFAARN Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1C ZINC000035449212 524657028 /nfs/dbraw/zinc/65/70/28/524657028.db2.gz DZRWPXRLZQFSTP-GOSISDBHSA-N 0 0 443.525 2.735 50 0 IFAARN C[C@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C[C@H](C)O1 ZINC000034869920 524662903 /nfs/dbraw/zinc/66/29/03/524662903.db2.gz XUFWPLOWDHKXCA-PKFCDNJMSA-N 0 0 446.139 2.953 50 0 IFAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3CCOCC3)c2)c1 ZINC000012521299 524693351 /nfs/dbraw/zinc/69/33/51/524693351.db2.gz UQKMZRJRIHOPRU-UHFFFAOYSA-N 0 0 431.558 2.636 50 0 IFAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2)c1 ZINC000012530283 524693882 /nfs/dbraw/zinc/69/38/82/524693882.db2.gz JDKQCEHZAUWYMP-UHFFFAOYSA-N 0 0 445.522 2.696 50 0 IFAARN COc1ccccc1S(=O)(=O)N[C@H](CCSC)C(=O)Nc1nc2ccccc2[nH]1 ZINC000009749519 524707128 /nfs/dbraw/zinc/70/71/28/524707128.db2.gz DMEGTYQIVOLBLL-OAHLLOKOSA-N 0 0 434.543 2.610 50 0 IFAARN COc1ccc(N[C@H](C)C(=O)c2c[nH]c3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000012644970 524707330 /nfs/dbraw/zinc/70/73/30/524707330.db2.gz MRPZYRNJSBGAIG-OAHLLOKOSA-N 0 0 443.525 2.881 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C)s2)CC1 ZINC000021636975 524735561 /nfs/dbraw/zinc/73/55/61/524735561.db2.gz LYBBSIVGBXTKGK-UHFFFAOYSA-N 0 0 427.979 2.923 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N ZINC000020761556 524740373 /nfs/dbraw/zinc/74/03/73/524740373.db2.gz LJUITTDRZCROMN-UHFFFAOYSA-N 0 0 447.742 2.695 50 0 IFAARN COc1ccccc1[C@@]1(CC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)CC(=O)N(C)C1=O ZINC000012205404 524766999 /nfs/dbraw/zinc/76/69/99/524766999.db2.gz IHCDOGCRNNKROT-BCHFMIIMSA-N 0 0 448.519 2.833 50 0 IFAARN Cc1ccc(Cn2nc3n(c4cn(C)nc4c(=O)n3Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000033280867 524775487 /nfs/dbraw/zinc/77/54/87/524775487.db2.gz UQDYLKRKEVOCEF-UHFFFAOYSA-N 0 0 434.887 2.603 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NC3CC3)C[C@H]3CCCO3)no2)c1 ZINC000036015278 524789822 /nfs/dbraw/zinc/78/98/22/524789822.db2.gz JPDKZTKBPYGJLM-QGZVFWFLSA-N 0 0 443.500 2.649 50 0 IFAARN COc1ccc(OC)c(NC(=O)N2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)c1 ZINC000020556715 524858083 /nfs/dbraw/zinc/85/80/83/524858083.db2.gz LUPWWGVHAJMFST-UHFFFAOYSA-N 0 0 426.448 2.786 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000035431249 524862551 /nfs/dbraw/zinc/86/25/51/524862551.db2.gz XDASHXASGORJBM-SFHVURJKSA-N 0 0 432.498 2.639 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)c1 ZINC000012443563 524876588 /nfs/dbraw/zinc/87/65/88/524876588.db2.gz LQOXLGRICZTDBB-UHFFFAOYSA-N 0 0 446.554 2.733 50 0 IFAARN C[C@@H]1CN(C(=O)c2nc3sccn3c2CN(C)Cc2cnc3ccccn23)C[C@H](C)O1 ZINC000020211215 524885552 /nfs/dbraw/zinc/88/55/52/524885552.db2.gz UHZJIQRKYWKIOF-IYBDPMFKSA-N 0 0 438.557 2.925 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCN(c3ccc(Cl)nn3)CC2)c1 ZINC000012919138 524894006 /nfs/dbraw/zinc/89/40/06/524894006.db2.gz SRINLAOEJMBHKR-SFHVURJKSA-N 0 0 445.951 2.633 50 0 IFAARN C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000012258359 524901191 /nfs/dbraw/zinc/90/11/91/524901191.db2.gz CTURZZVWXHJNCO-SCUMNGBJSA-N 0 0 445.585 2.886 50 0 IFAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000020928165 524919902 /nfs/dbraw/zinc/91/99/02/524919902.db2.gz MSYJRWXEGYIQEK-QFIPXVFZSA-N 0 0 435.590 2.591 50 0 IFAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCCC[C@H]2CCO)c1 ZINC000011933789 524925913 /nfs/dbraw/zinc/92/59/13/524925913.db2.gz UPBSWCRRGRPSKK-SFHVURJKSA-N 0 0 430.545 2.852 50 0 IFAARN COc1ccc(OCC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)COc2ccc(OC)cc2)cc1 ZINC000015227251 524933941 /nfs/dbraw/zinc/93/39/41/524933941.db2.gz DARHGKCPOYAWFW-SZPZYZBQSA-N 0 0 442.512 2.705 50 0 IFAARN C[C@H](NC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000021942040 524958783 /nfs/dbraw/zinc/95/87/83/524958783.db2.gz MGVDJBNQANUENF-LAUBAEHRSA-N 0 0 434.540 2.971 50 0 IFAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCOCC1)C2=O ZINC000012522356 524974680 /nfs/dbraw/zinc/97/46/80/524974680.db2.gz ZYOVSNUSTOTFLU-WAIKUNEKSA-N 0 0 428.533 2.599 50 0 IFAARN Cc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC(=O)c2ccccc2)c4=O)cc1 ZINC000012289051 524985222 /nfs/dbraw/zinc/98/52/22/524985222.db2.gz DSWULZXTPNAZAA-KRWDZBQOSA-N 0 0 443.507 2.876 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000012631895 524999484 /nfs/dbraw/zinc/99/94/84/524999484.db2.gz WXMCOMQLZUNYCF-KRWDZBQOSA-N 0 0 434.514 2.756 50 0 IFAARN Cc1ccccc1-c1nc2n(n1)c(=O)cc(C)n2CC(=O)N1CCN(c2ccccc2)CC1 ZINC000021802765 525013743 /nfs/dbraw/zinc/01/37/43/525013743.db2.gz JEKJOTWGDUHSRH-UHFFFAOYSA-N 0 0 442.523 2.524 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCNC(=O)C(C)(C)C ZINC000012757458 525027484 /nfs/dbraw/zinc/02/74/84/525027484.db2.gz LGBMLXUKTJURBI-UHFFFAOYSA-N 0 0 439.578 2.751 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 ZINC000012793879 525035440 /nfs/dbraw/zinc/03/54/40/525035440.db2.gz IUSZGJURWRLKBI-GOSISDBHSA-N 0 0 431.558 2.732 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(-c4ccccc4OC)no3)CC2)cc1 ZINC000012878901 525037904 /nfs/dbraw/zinc/03/79/04/525037904.db2.gz QVNCBSHBVMVXAO-UHFFFAOYSA-N 0 0 443.525 2.865 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1Br ZINC000065488099 525041669 /nfs/dbraw/zinc/04/16/69/525041669.db2.gz QSYINESIGTZLJY-MRXNPFEDSA-N 0 0 439.331 2.710 50 0 IFAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000022560803 525045661 /nfs/dbraw/zinc/04/56/61/525045661.db2.gz ONRUCTLSVQYHKA-INIZCTEOSA-N 0 0 437.496 2.517 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C[C@H](C)O1 ZINC000012777373 525049311 /nfs/dbraw/zinc/04/93/11/525049311.db2.gz WJGARZZDBHZUTD-CALCHBBNSA-N 0 0 441.553 2.938 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 ZINC000012447837 525050770 /nfs/dbraw/zinc/05/07/70/525050770.db2.gz FEKKDGDVBPPQPK-WOJGMQOQSA-N 0 0 436.493 2.860 50 0 IFAARN Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(F)c1 ZINC000012760850 525052295 /nfs/dbraw/zinc/05/22/95/525052295.db2.gz RSVVGHFOCDTKLH-UHFFFAOYSA-N 0 0 431.533 2.568 50 0 IFAARN Cc1ccc(NC(=O)CN2CCN(C(=O)CN(Cc3ccc(F)cc3)C3CC3)CC2)cc1 ZINC000035286891 525053504 /nfs/dbraw/zinc/05/35/04/525053504.db2.gz VQRVBVQYZZMACE-UHFFFAOYSA-N 0 0 438.547 2.881 50 0 IFAARN COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(Cl)cc2Cl)cc1OC ZINC000012928930 525055381 /nfs/dbraw/zinc/05/53/81/525055381.db2.gz QCEJFQQPKTYRGJ-UHFFFAOYSA-N 0 0 447.340 2.995 50 0 IFAARN COc1ccc(S(=O)(=O)NCCC(=O)Nc2nc3c(s2)CCCCC3)cc1OC ZINC000022375425 525055756 /nfs/dbraw/zinc/05/57/56/525055756.db2.gz HITWKCJNIFRWTF-UHFFFAOYSA-N 0 0 439.559 2.736 50 0 IFAARN Cc1cc(N2CCCC2)nc(SCc2ccc(C(=O)NCCN3CCOCC3)cc2)n1 ZINC000036026079 525063799 /nfs/dbraw/zinc/06/37/99/525063799.db2.gz BIZLJYLPKBKGAM-UHFFFAOYSA-N 0 0 441.601 2.740 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc1 ZINC000012713556 525064674 /nfs/dbraw/zinc/06/46/74/525064674.db2.gz FPGMCYQOLWIPSG-GOSISDBHSA-N 0 0 432.542 2.681 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000022588431 525070419 /nfs/dbraw/zinc/07/04/19/525070419.db2.gz FDDVCPCXYJOIMP-FQEVSTJZSA-N 0 0 433.530 2.985 50 0 IFAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 ZINC000012860151 525071115 /nfs/dbraw/zinc/07/11/15/525071115.db2.gz KZVZUHSHNCOIQI-OAHLLOKOSA-N 0 0 448.516 2.875 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1NC(C)=O ZINC000012521001 525086477 /nfs/dbraw/zinc/08/64/77/525086477.db2.gz MRQRAYUAQOIGPD-UHFFFAOYSA-N 0 0 427.486 2.659 50 0 IFAARN COc1nn(C)cc1-c1nnc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1C ZINC000012422568 525090824 /nfs/dbraw/zinc/09/08/24/525090824.db2.gz CLBOUTCHWSDVNS-UHFFFAOYSA-N 0 0 426.424 2.974 50 0 IFAARN COc1ccc(S(=O)(=O)c2c(N)n(CC(=O)Nc3ccc(C)cc3)nc2SC)cc1 ZINC000020597858 525092444 /nfs/dbraw/zinc/09/24/44/525092444.db2.gz MHRAGWPGLXPYIQ-UHFFFAOYSA-N 0 0 446.554 2.976 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)cc1C ZINC000035375692 525107654 /nfs/dbraw/zinc/10/76/54/525107654.db2.gz GBKLZFNMWBQRRQ-UHFFFAOYSA-N 0 0 435.503 2.965 50 0 IFAARN C[C@@H](NC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@H]2C1=O)c1ccccc1 ZINC000021942031 525109123 /nfs/dbraw/zinc/10/91/23/525109123.db2.gz MGVDJBNQANUENF-UTKZUKDTSA-N 0 0 434.540 2.971 50 0 IFAARN C[C@@H](NC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1Cl ZINC000012902291 525115159 /nfs/dbraw/zinc/11/51/59/525115159.db2.gz MAKBVMRDCVTTEL-LLVKDONJSA-N 0 0 442.299 2.578 50 0 IFAARN Cc1cc(NC(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)n(-c2ccccc2)n1 ZINC000021810204 525116375 /nfs/dbraw/zinc/11/63/75/525116375.db2.gz DKXPCIUGVMEMAX-UHFFFAOYSA-N 0 0 439.472 2.822 50 0 IFAARN Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(C(=O)c4ccccc4)cc3)CC2)no1 ZINC000012758806 525139315 /nfs/dbraw/zinc/13/93/15/525139315.db2.gz XNDQNEHATXPYHF-UHFFFAOYSA-N 0 0 432.480 2.611 50 0 IFAARN Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1N1CCCC1 ZINC000012562112 525140562 /nfs/dbraw/zinc/14/05/62/525140562.db2.gz WAEUJSGLLOVXKJ-UHFFFAOYSA-N 0 0 442.585 2.540 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(F)c1 ZINC000001129424 525148233 /nfs/dbraw/zinc/14/82/33/525148233.db2.gz ASWIYHPDPJUGAL-UHFFFAOYSA-N 0 0 425.913 2.594 50 0 IFAARN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc(N3CCOCC3)nc2)cc1 ZINC000022139806 525173250 /nfs/dbraw/zinc/17/32/50/525173250.db2.gz PAXRUXBAKUHNOA-HXUWFJFHSA-N 0 0 427.501 2.740 50 0 IFAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(-n2cncn2)cc1 ZINC000012599141 525173294 /nfs/dbraw/zinc/17/32/94/525173294.db2.gz LGIBRBFWJYZQRQ-RDJZCZTQSA-N 0 0 445.570 2.607 50 0 IFAARN Cc1ccccc1COc1cn(CC(=O)N2CCN(c3ccccc3)CC2)c(CO)cc1=O ZINC000012231243 525176620 /nfs/dbraw/zinc/17/66/20/525176620.db2.gz PFDIRKXXPXQTLJ-UHFFFAOYSA-N 0 0 447.535 2.577 50 0 IFAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCN1CCOCC1 ZINC000021857227 525197702 /nfs/dbraw/zinc/19/77/02/525197702.db2.gz NBUNJMVWSXPFNI-RUZDIDTESA-N 0 0 438.572 2.637 50 0 IFAARN COc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c2nccn2C)cc1 ZINC000012520716 525199652 /nfs/dbraw/zinc/19/96/52/525199652.db2.gz JSMWBORMYIOSOA-HXUWFJFHSA-N 0 0 442.541 2.507 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1C ZINC000020994262 525201010 /nfs/dbraw/zinc/20/10/10/525201010.db2.gz WQTZIZVNSIEZMQ-OAHLLOKOSA-N 0 0 429.498 2.777 50 0 IFAARN C[C@H](NC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(C)C2=O)c1ccccc1 ZINC000021874787 525201909 /nfs/dbraw/zinc/20/19/09/525201909.db2.gz FSWPTKCTAASWER-FYSMJZIKSA-N 0 0 437.544 2.667 50 0 IFAARN Cc1ccccc1Cn1nc(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)ccc1=O ZINC000020893691 525211357 /nfs/dbraw/zinc/21/13/57/525211357.db2.gz SHRDQRKPKDLRNI-UHFFFAOYSA-N 0 0 439.537 2.596 50 0 IFAARN CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N(Cc2ccccc2)CC(F)(F)F)c1 ZINC000012521165 525223475 /nfs/dbraw/zinc/22/34/75/525223475.db2.gz JVPZAMRZZDHPBM-UHFFFAOYSA-N 0 0 444.431 2.806 50 0 IFAARN C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000012804257 525238604 /nfs/dbraw/zinc/23/86/04/525238604.db2.gz KMLOJVWLPJZZSU-NSHDSACASA-N 0 0 444.854 2.852 50 0 IFAARN Cc1ccccc1NC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N(C)C)CN2c1ccccc1 ZINC000016613103 525248775 /nfs/dbraw/zinc/24/87/75/525248775.db2.gz PTEMPNBQPDPYBD-UHFFFAOYSA-N 0 0 449.555 2.756 50 0 IFAARN CS(=O)(=O)c1ccc(N2C[C@@H](c3nnc(NC(=O)C4CCCCC4)o3)CC2=O)cc1 ZINC000033291490 525253122 /nfs/dbraw/zinc/25/31/22/525253122.db2.gz PTIKISPIRQYUKU-AWEZNQCLSA-N 0 0 432.502 2.512 50 0 IFAARN Cc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012852998 525254939 /nfs/dbraw/zinc/25/49/39/525254939.db2.gz PZPAZTLLCBEPGB-GOSISDBHSA-N 0 0 427.570 2.817 50 0 IFAARN C[C@@H](NC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000012763539 525257803 /nfs/dbraw/zinc/25/78/03/525257803.db2.gz CXNVEUFVUIBBAL-QZTJIDSGSA-N 0 0 433.549 2.788 50 0 IFAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3nc4ccc(OC)cc4s3)C2=O)cc1 ZINC000012927488 525282976 /nfs/dbraw/zinc/28/29/76/525282976.db2.gz ZQAQFTRWVZOYLE-OAQYLSRUSA-N 0 0 440.481 2.719 50 0 IFAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000065478160 525287740 /nfs/dbraw/zinc/28/77/40/525287740.db2.gz BZUDOXDQIPDJCC-LBPRGKRZSA-N 0 0 448.342 2.682 50 0 IFAARN Cc1cc(NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1Br ZINC000024242550 525289517 /nfs/dbraw/zinc/28/95/17/525289517.db2.gz WWWPKNUVYPQLAU-UHFFFAOYSA-N 0 0 433.349 2.809 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCN3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000022612346 525303495 /nfs/dbraw/zinc/30/34/95/525303495.db2.gz KATQBGIUSQRNRM-HDICACEKSA-N 0 0 431.558 2.635 50 0 IFAARN C[C@@H](NC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(C)C2=O)c1ccccc1 ZINC000021874779 525315818 /nfs/dbraw/zinc/31/58/18/525315818.db2.gz FSWPTKCTAASWER-VOIUYBSRSA-N 0 0 437.544 2.667 50 0 IFAARN C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCCOc2ccc(Cl)cc2)C1=O ZINC000012788654 525321937 /nfs/dbraw/zinc/32/19/37/525321937.db2.gz HLIFNKURGWXZBF-HXUWFJFHSA-N 0 0 426.864 2.552 50 0 IFAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1=O ZINC000023076347 525331999 /nfs/dbraw/zinc/33/19/99/525331999.db2.gz UJPYUYYSTKRIIS-XMMPIXPASA-N 0 0 434.496 2.765 50 0 IFAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)C1 ZINC000022295294 525385453 /nfs/dbraw/zinc/38/54/53/525385453.db2.gz RNFVIONDHHBPMU-OKILXGFUSA-N 0 0 430.530 2.718 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000033681675 525432852 /nfs/dbraw/zinc/43/28/52/525432852.db2.gz QPPJWUXALFDCBK-UHFFFAOYSA-N 0 0 442.493 2.537 50 0 IFAARN COc1ccc([C@]2(CC(=O)N(C)C3CCOCC3)CC(=O)N(C3CCCC3)C2=O)cc1 ZINC000012470647 525446660 /nfs/dbraw/zinc/44/66/60/525446660.db2.gz PVCUUEZCEXVVPK-DEOSSOPVSA-N 0 0 428.529 2.662 50 0 IFAARN Cc1nc2[nH]c(NCc3ccc(Cl)cc3)nn2c(=O)c1CCC(=O)Nc1ccccn1 ZINC000021804139 525450738 /nfs/dbraw/zinc/45/07/38/525450738.db2.gz NGHJYTIDJPYTSW-UHFFFAOYSA-N 0 0 437.891 2.958 50 0 IFAARN CC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)cc1 ZINC000008605723 534858342 /nfs/dbraw/zinc/85/83/42/534858342.db2.gz UVLDVXPXNCKQAJ-UHFFFAOYSA-N 0 0 448.527 2.890 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n(-c2cccc(C)c2C)c1=O ZINC000020611068 525484041 /nfs/dbraw/zinc/48/40/41/525484041.db2.gz UCMVSRRRJARWJC-OAQYLSRUSA-N 0 0 432.480 2.573 50 0 IFAARN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(CC(=O)Nc4cccc(F)c4)CC3)c2c1 ZINC000020725939 525495693 /nfs/dbraw/zinc/49/56/93/525495693.db2.gz CJHMINKXTCBRRJ-QFIPXVFZSA-N 0 0 440.475 2.698 50 0 IFAARN COc1ccc2c(C)c(CCC(=O)N3CCN(CCc4ccccn4)CC3)c(=O)oc2c1 ZINC000020646842 525497434 /nfs/dbraw/zinc/49/74/34/525497434.db2.gz XRRWWMUMRIXYHK-UHFFFAOYSA-N 0 0 435.524 2.825 50 0 IFAARN CSCC[C@@H](C(=O)O[C@@H](C)C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000012813833 525519387 /nfs/dbraw/zinc/51/93/87/525519387.db2.gz CLDXTHJTSQRUTP-KSSFIOAISA-N 0 0 432.542 2.785 50 0 IFAARN C[C@@H]1Cc2cc(C(=O)N[C@H](c3nccn3C)c3ccccc3F)ccc2N1S(C)(=O)=O ZINC000012519856 525520772 /nfs/dbraw/zinc/52/07/72/525520772.db2.gz GRUVPEPMQBUPJK-VLIAUNLRSA-N 0 0 442.516 2.789 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N[C@@H](C)c3ccccc3C)CC2)cc1 ZINC000012741284 525530167 /nfs/dbraw/zinc/53/01/67/525530167.db2.gz ZDERSAIKPSWULR-FQEVSTJZSA-N 0 0 429.586 2.877 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)s1 ZINC000012769295 525535696 /nfs/dbraw/zinc/53/56/96/525535696.db2.gz GBRXDJKCHIJMSM-FQEVSTJZSA-N 0 0 447.626 2.802 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(Cn3cccn3)cc2)cc1 ZINC000012626002 525537707 /nfs/dbraw/zinc/53/77/07/525537707.db2.gz LYBKYHXDDQVMDB-QFIPXVFZSA-N 0 0 438.553 2.709 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)c(C)c1 ZINC000012903095 525543235 /nfs/dbraw/zinc/54/32/35/525543235.db2.gz ITGDOKMHJIEGOC-UHFFFAOYSA-N 0 0 446.960 2.700 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c(C)c1 ZINC000012778186 525546354 /nfs/dbraw/zinc/54/63/54/525546354.db2.gz LDLJMYWHLOXLJV-UHFFFAOYSA-N 0 0 448.552 2.943 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCc2c(F)cccc2Cl)cc1C ZINC000009647814 525558821 /nfs/dbraw/zinc/55/88/21/525558821.db2.gz CKTKQALVPWJWND-KUHUBIRLSA-N 0 0 441.908 2.963 50 0 IFAARN CSCC[C@H](C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C)N1C(=O)c2ccccc2C1=O ZINC000034878958 525560191 /nfs/dbraw/zinc/56/01/91/525560191.db2.gz CBIUMCNXKYONIF-FHLIZLRMSA-N 0 0 432.542 2.642 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012781172 525581727 /nfs/dbraw/zinc/58/17/27/525581727.db2.gz UJTHHYBOPRSIFI-VUMMCCRTSA-N 0 0 448.585 2.679 50 0 IFAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cnn1-c1ccccc1 ZINC000012790713 525582390 /nfs/dbraw/zinc/58/23/90/525582390.db2.gz ANYCELWKSNIJBS-UHFFFAOYSA-N 0 0 446.479 2.606 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012781167 525586988 /nfs/dbraw/zinc/58/69/88/525586988.db2.gz UJTHHYBOPRSIFI-JVRWENHQSA-N 0 0 448.585 2.679 50 0 IFAARN Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NC3CCCCCC3)cc1CC2 ZINC000020510524 525587158 /nfs/dbraw/zinc/58/71/58/525587158.db2.gz WYDOFCRFCQAQCW-UHFFFAOYSA-N 0 0 440.544 2.862 50 0 IFAARN Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)N[C@@H](C)c3ccccc3)cc1CC2 ZINC000020510548 525587238 /nfs/dbraw/zinc/58/72/38/525587238.db2.gz VTXWSEYVJAFRBU-KRWDZBQOSA-N 0 0 448.523 2.900 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000003352902 534866732 /nfs/dbraw/zinc/86/67/32/534866732.db2.gz BRTWMHNNDJEDJL-QGZVFWFLSA-N 0 0 438.528 2.623 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3C(=O)NC3CC3)cc2)cc1C ZINC000021713165 525596540 /nfs/dbraw/zinc/59/65/40/525596540.db2.gz ICGMSPBQNXXAOA-OAQYLSRUSA-N 0 0 441.553 2.987 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCN3C[C@@H](C)O[C@H](C)C3)c2)cc1F ZINC000022612535 525611286 /nfs/dbraw/zinc/61/12/86/525611286.db2.gz SQXSMLQCZIKLNK-IAGOWNOFSA-N 0 0 449.548 2.774 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)NC1CCCCCCC1)O[C@H](C)C(=O)N2 ZINC000035452519 525611363 /nfs/dbraw/zinc/61/13/63/525611363.db2.gz DXCJNVPSFINPCD-OAHLLOKOSA-N 0 0 437.562 2.564 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@@H]3C(=O)NC(C)C)c2)cc1 ZINC000021662275 525612522 /nfs/dbraw/zinc/61/25/22/525612522.db2.gz GFTCIXDOAZAQRZ-HXUWFJFHSA-N 0 0 429.542 2.925 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc3ccccc3F)C1)OCC(=O)N2 ZINC000035378775 525613654 /nfs/dbraw/zinc/61/36/54/525613654.db2.gz XDMXZAXFSRTVFA-CQSZACIVSA-N 0 0 447.488 2.504 50 0 IFAARN Cc1ccc(S(=O)(=O)Oc2nc(N(C)C)nc3c2CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000035287603 525627974 /nfs/dbraw/zinc/62/79/74/525627974.db2.gz NRSBSDLDMYIPEO-UHFFFAOYSA-N 0 0 448.545 2.912 50 0 IFAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 ZINC000012786507 525641177 /nfs/dbraw/zinc/64/11/77/525641177.db2.gz PFINUKMRSHJQJH-UHFFFAOYSA-N 0 0 442.537 2.881 50 0 IFAARN Cc1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(c1ccc3c(c1)OCCO3)C2=O ZINC000035477354 525662912 /nfs/dbraw/zinc/66/29/12/525662912.db2.gz ZRICIDBSCNRBSO-DEOSSOPVSA-N 0 0 432.480 2.698 50 0 IFAARN COc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 ZINC000012342330 525667279 /nfs/dbraw/zinc/66/72/79/525667279.db2.gz HGCRJNYHMKGOKX-UHFFFAOYSA-N 0 0 433.555 2.917 50 0 IFAARN Cc1c(C(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)sc2nc3n(c(=O)c12)CCC3 ZINC000012820230 525670462 /nfs/dbraw/zinc/67/04/62/525670462.db2.gz YLKCMMZQPGOVIE-CQSZACIVSA-N 0 0 437.521 2.843 50 0 IFAARN Cc1c(C)n(-c2cccc(O)c2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n12 ZINC000012324038 525679142 /nfs/dbraw/zinc/67/91/42/525679142.db2.gz ATQOCRXNJZUJHO-UHFFFAOYSA-N 0 0 433.443 2.648 50 0 IFAARN COc1cccc(-c2cc(C(=O)N(CCC(=O)N3CCCC3)C[C@H]3CCCO3)no2)c1 ZINC000036002504 525701759 /nfs/dbraw/zinc/70/17/59/525701759.db2.gz FPTBFVSGOSZBBF-LJQANCHMSA-N 0 0 427.501 2.984 50 0 IFAARN COc1cccc(-c2cc(C(=O)N[C@@H](C(=O)N3CCN(C)CC3)c3ccccc3)no2)c1 ZINC000036002658 525702974 /nfs/dbraw/zinc/70/29/74/525702974.db2.gz CRKIWRKZGVYQOV-JOCHJYFZSA-N 0 0 434.496 2.595 50 0 IFAARN Cc1c(CN2C(=O)c3cccc(N4CCC[C@@H](C(=O)N5CCCCC5)C4)c3C2=O)cnn1C ZINC000012247647 525703291 /nfs/dbraw/zinc/70/32/91/525703291.db2.gz ODYYUPSJKXKORF-GOSISDBHSA-N 0 0 449.555 2.754 50 0 IFAARN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CN4CCOC4=O)C3)cc2)c1 ZINC000012199742 525714019 /nfs/dbraw/zinc/71/40/19/525714019.db2.gz GIJVVKBQKJIHCY-IBGZPJMESA-N 0 0 437.496 2.992 50 0 IFAARN COc1cccc(-c2nc(CN3CCC(C(=O)N4CCOCC4)CC3)c(C)o2)c1OC ZINC000020994990 525721572 /nfs/dbraw/zinc/72/15/72/525721572.db2.gz UBPALUXZLKHXTF-UHFFFAOYSA-N 0 0 429.517 2.738 50 0 IFAARN Cc1c(CNC(=O)c2cn(C(C)C)cc(C(=O)NCC3CCCCC3)c2=O)cnn1C ZINC000012245963 525722344 /nfs/dbraw/zinc/72/23/44/525722344.db2.gz VEZFUVPHMIVVQX-UHFFFAOYSA-N 0 0 427.549 2.711 50 0 IFAARN COc1cccc(-c2nc(CS[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)cs2)c1 ZINC000012931323 525725050 /nfs/dbraw/zinc/72/50/50/525725050.db2.gz QGIBWIIWVOGAOF-OCCSQVGLSA-N 0 0 426.585 2.744 50 0 IFAARN COc1cccc(-n2c(=O)c3c(nc2SCC(=O)Nc2cc(C)on2)CCS3)c1 ZINC000012140660 525741357 /nfs/dbraw/zinc/74/13/57/525741357.db2.gz KMCLKQQDANYDQV-UHFFFAOYSA-N 0 0 430.511 2.917 50 0 IFAARN Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@@]21c2ccccc2N(CC(N)=O)C1=O ZINC000020720643 525750693 /nfs/dbraw/zinc/75/06/93/525750693.db2.gz KDWOILACKSEBHE-JOCHJYFZSA-N 0 0 435.871 2.944 50 0 IFAARN COc1cccc(-n2cnnc2SCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)c1 ZINC000012633524 525753383 /nfs/dbraw/zinc/75/33/83/525753383.db2.gz ZKPDJCCYOAXFHO-UHFFFAOYSA-N 0 0 426.454 2.938 50 0 IFAARN Cc1c(Cl)cccc1N1C(=O)C[C@@H](N2CCN(CCOc3ccccc3)CC2)C1=O ZINC000022807813 525759890 /nfs/dbraw/zinc/75/98/90/525759890.db2.gz YRWKNAPPVFWRDY-OAQYLSRUSA-N 0 0 427.932 2.977 50 0 IFAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1CCCN1CCOCC1 ZINC000033331871 525791881 /nfs/dbraw/zinc/79/18/81/525791881.db2.gz CEVWPDKXIBPBRH-DEOSSOPVSA-N 0 0 442.560 2.620 50 0 IFAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCN1CCOCC1 ZINC000021811811 525794508 /nfs/dbraw/zinc/79/45/08/525794508.db2.gz VOJHOLHRYWCOIT-DEOSSOPVSA-N 0 0 442.560 2.620 50 0 IFAARN COc1cccc(C(=O)N2CCN(c3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)c1 ZINC000021884414 525804479 /nfs/dbraw/zinc/80/44/79/525804479.db2.gz GTEXDRVHMIYEHZ-UHFFFAOYSA-N 0 0 447.520 2.789 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2ccc3ccccc3c2)C1=O ZINC000012681544 525828251 /nfs/dbraw/zinc/82/82/51/525828251.db2.gz QOGVWJXBUAJSRJ-VWLOTQADSA-N 0 0 444.491 2.544 50 0 IFAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)cc3N2)cc1 ZINC000012468199 525853126 /nfs/dbraw/zinc/85/31/26/525853126.db2.gz KYRGRLBASAZZSZ-FUHWJXTLSA-N 0 0 437.466 2.914 50 0 IFAARN COc1cccc(CCC(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)c1 ZINC000012279527 525878027 /nfs/dbraw/zinc/87/80/27/525878027.db2.gz ULLISKSULXATMC-LJQANCHMSA-N 0 0 425.533 2.583 50 0 IFAARN COc1cccc(CCC(=O)N2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)c1 ZINC000012279528 525879214 /nfs/dbraw/zinc/87/92/14/525879214.db2.gz ULLISKSULXATMC-IBGZPJMESA-N 0 0 425.533 2.583 50 0 IFAARN C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012631082 525888158 /nfs/dbraw/zinc/88/81/58/525888158.db2.gz WXGPBWASBYTIMY-OAHLLOKOSA-N 0 0 441.509 2.738 50 0 IFAARN C[C@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)NCc1ccccc1Cl ZINC000012894513 525893203 /nfs/dbraw/zinc/89/32/03/525893203.db2.gz NLNJIOJVMJSSQC-AWEZNQCLSA-N 0 0 436.917 2.742 50 0 IFAARN COc1cccc(CCNC(=O)Cn2c3ccccc3n(Cc3ccccc3)c(=O)c2=O)c1 ZINC000021522275 525894882 /nfs/dbraw/zinc/89/48/82/525894882.db2.gz UMIMEJQJTWVQKV-UHFFFAOYSA-N 0 0 443.503 2.579 50 0 IFAARN C[C@@H](OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000018591407 525894757 /nfs/dbraw/zinc/89/47/57/525894757.db2.gz SNDQNDAPQKLSKU-CQSZACIVSA-N 0 0 428.872 2.851 50 0 IFAARN COc1cccc(CCNC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)c1 ZINC000012006081 525898627 /nfs/dbraw/zinc/89/86/27/525898627.db2.gz VLUKKETUBDUNIG-ZDUSSCGKSA-N 0 0 436.917 2.634 50 0 IFAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1=O ZINC000012527745 525903735 /nfs/dbraw/zinc/90/37/35/525903735.db2.gz YNKHQNVLVRMIBT-QFIPXVFZSA-N 0 0 442.903 2.582 50 0 IFAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(S(=O)(=O)N3CCCCCC3)c1)CS2 ZINC000023078632 525910031 /nfs/dbraw/zinc/91/00/31/525910031.db2.gz GLLRPKSCHOSPGI-YLJYHZDGSA-N 0 0 437.587 2.644 50 0 IFAARN Cc1cn2c(C(=O)N3CCC[C@H](CNS(=O)(=O)Cc4ccccc4)C3)csc2n1 ZINC000012440057 525911978 /nfs/dbraw/zinc/91/19/78/525911978.db2.gz FEOGHRKPRLEPBK-QGZVFWFLSA-N 0 0 432.571 2.676 50 0 IFAARN C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NCCN1CCOCC1 ZINC000020547097 525923356 /nfs/dbraw/zinc/92/33/56/525923356.db2.gz SFFTUTKBEUQLFN-AWEZNQCLSA-N 0 0 434.920 2.541 50 0 IFAARN C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCN1CCOCC1 ZINC000020547016 525923824 /nfs/dbraw/zinc/92/38/24/525923824.db2.gz AMBWPOIYABDKHE-AWEZNQCLSA-N 0 0 434.920 2.541 50 0 IFAARN COc1cccc(CN2C(=O)N[C@](C)(C3CCN(C(=O)CC(C)C)CC3)C2=O)c1OC ZINC000011880444 525927918 /nfs/dbraw/zinc/92/79/18/525927918.db2.gz UKGCPWAIMJTDHR-HSZRJFAPSA-N 0 0 431.533 2.799 50 0 IFAARN C[C@H](C(=O)N(C)C1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000034857407 525928466 /nfs/dbraw/zinc/92/84/66/525928466.db2.gz IKXQTPMEUNKIJH-MRXNPFEDSA-N 0 0 427.998 2.826 50 0 IFAARN Cc1cn2c(nc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2=O)s1 ZINC000020921774 525940372 /nfs/dbraw/zinc/94/03/72/525940372.db2.gz JJBWIOZDUHSUFH-UHFFFAOYSA-N 0 0 432.571 2.501 50 0 IFAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1-c1nc(-c2ccccn2)no1 ZINC000035503847 525961541 /nfs/dbraw/zinc/96/15/41/525961541.db2.gz SAKQTAQKBWHHHI-UHFFFAOYSA-N 0 0 426.454 2.874 50 0 IFAARN Cc1cnc(C(=O)N2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)cn1 ZINC000012443340 525969217 /nfs/dbraw/zinc/96/92/17/525969217.db2.gz LXXUVLMRYAUSOK-UHFFFAOYSA-N 0 0 431.496 2.794 50 0 IFAARN CSc1ccc(CCNC(=O)[C@H](CCS(C)(=O)=O)N2Cc3ccccc3C2=O)cc1 ZINC000020531509 525984507 /nfs/dbraw/zinc/98/45/07/525984507.db2.gz POASSFFOBDJSPU-FQEVSTJZSA-N 0 0 446.594 2.527 50 0 IFAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)c1c[nH]c2ccccc12 ZINC000014634086 525989336 /nfs/dbraw/zinc/98/93/36/525989336.db2.gz WXXJWTPZLVCTHR-OAHLLOKOSA-N 0 0 444.582 2.863 50 0 IFAARN COc1cccc(CNC(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000015726690 525992602 /nfs/dbraw/zinc/99/26/02/525992602.db2.gz IEEXTULCZYWKRN-KBPBESRZSA-N 0 0 448.566 2.854 50 0 IFAARN Cc1cc(-n2c(C)cc(C(=O)CN3CCN(S(=O)(=O)c4cccs4)CC3)c2C)no1 ZINC000035380067 526069905 /nfs/dbraw/zinc/06/99/05/526069905.db2.gz PCSYEIZSYVBRAV-UHFFFAOYSA-N 0 0 448.570 2.641 50 0 IFAARN C[C@H](c1ccccc1)N(C)C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012998639 526088157 /nfs/dbraw/zinc/08/81/57/526088157.db2.gz FOTJXFYTPDRAOA-GOSISDBHSA-N 0 0 433.549 2.742 50 0 IFAARN CSc1cccc(NC(=O)Cn2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)c1 ZINC000020574997 526117396 /nfs/dbraw/zinc/11/73/96/526117396.db2.gz PJTLNKZYKMNSGJ-UHFFFAOYSA-N 0 0 430.921 2.804 50 0 IFAARN Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)n1 ZINC000012123875 526118766 /nfs/dbraw/zinc/11/87/66/526118766.db2.gz YXUJSDWMNRDLCG-UHFFFAOYSA-N 0 0 435.484 2.872 50 0 IFAARN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012860795 526137483 /nfs/dbraw/zinc/13/74/83/526137483.db2.gz FVVGDFGRLSGNAU-QRWLVFNGSA-N 0 0 429.904 2.651 50 0 IFAARN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000014813275 526139154 /nfs/dbraw/zinc/13/91/54/526139154.db2.gz JPFHKZOOJLZGIF-GFCCVEGCSA-N 0 0 434.331 2.819 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)CS4)CC2)c1 ZINC000015730679 526155969 /nfs/dbraw/zinc/15/59/69/526155969.db2.gz CXRIHCYOGLYIEJ-OAHLLOKOSA-N 0 0 447.582 2.886 50 0 IFAARN Cc1ccc2c(c1)N(C(=O)CN1CCCN(Cc3ccccc3Cl)S1(=O)=O)CCO2 ZINC000035505280 526165861 /nfs/dbraw/zinc/16/58/61/526165861.db2.gz RLLVKWGRFQUUOW-UHFFFAOYSA-N 0 0 449.960 2.827 50 0 IFAARN COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)c1 ZINC000021155721 526167452 /nfs/dbraw/zinc/16/74/52/526167452.db2.gz MIUYFCWGUMHAPA-QHCPKHFHSA-N 0 0 432.524 2.888 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)NCc1ccc(-n2cccn2)nc1 ZINC000012545912 526168798 /nfs/dbraw/zinc/16/87/98/526168798.db2.gz XOPQWBUIEZAOPW-UHFFFAOYSA-N 0 0 443.305 2.776 50 0 IFAARN COc1cccc(NC(=O)Cn2ccn3nc(-c4ccc(OC)c(OC)c4)cc3c2=O)c1 ZINC000021639291 526184686 /nfs/dbraw/zinc/18/46/86/526184686.db2.gz MXGQOEMUVXBTRA-UHFFFAOYSA-N 0 0 434.452 2.828 50 0 IFAARN COc1cccc(NC(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)N(C)C)c3)[nH]n2)c1 ZINC000021806314 526200892 /nfs/dbraw/zinc/20/08/92/526200892.db2.gz XLHRXIGYWQRWLJ-UHFFFAOYSA-N 0 0 430.486 2.597 50 0 IFAARN Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)CSc1nncn1C ZINC000012695702 526223772 /nfs/dbraw/zinc/22/37/72/526223772.db2.gz WOVMZBAQUZYJCC-UHFFFAOYSA-N 0 0 425.470 2.835 50 0 IFAARN Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3ccccc3Cl)c(=O)n(C)c2n1 ZINC000012445607 526243138 /nfs/dbraw/zinc/24/31/38/526243138.db2.gz PZWIKZQMIMQBOH-UHFFFAOYSA-N 0 0 426.904 2.731 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000012795095 526303715 /nfs/dbraw/zinc/30/37/15/526303715.db2.gz CFGFBOJRCBCWJM-QGZVFWFLSA-N 0 0 428.558 2.964 50 0 IFAARN Cc1nn2c(nc(CSc3nnc(NC(=O)COc4ccccc4)s3)cc2=O)s1 ZINC000020983466 526313048 /nfs/dbraw/zinc/31/30/48/526313048.db2.gz CAPOCIILJDWYKX-UHFFFAOYSA-N 0 0 446.539 2.621 50 0 IFAARN O=C(NCCN1CCOCC1)[C@H]1CS[C@@H](C2CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000035703462 526318051 /nfs/dbraw/zinc/31/80/51/526318051.db2.gz ZCYDSXBWKHQGTE-OFNKIYASSA-N 0 0 449.592 2.738 50 0 IFAARN O=C(NCCN1CCOCC1)[C@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000035703458 526319202 /nfs/dbraw/zinc/31/92/02/526319202.db2.gz ZCYDSXBWKHQGTE-NFBKMPQASA-N 0 0 449.592 2.738 50 0 IFAARN O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000020735638 526321181 /nfs/dbraw/zinc/32/11/81/526321181.db2.gz UWYLHBRTFZUBBR-UHFFFAOYSA-N 0 0 447.340 2.622 50 0 IFAARN O=C(NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)cc1Cl ZINC000020745494 526329233 /nfs/dbraw/zinc/32/92/33/526329233.db2.gz SMVYNXZDFSMRFB-HNNXBMFYSA-N 0 0 434.323 2.888 50 0 IFAARN Cc1csc(CC(=O)N2CCN(CC(=O)N[C@H](C)c3cc4ccccc4o3)CC2)n1 ZINC000035269295 526331683 /nfs/dbraw/zinc/33/16/83/526331683.db2.gz DMZIJKQKRYYVHK-MRXNPFEDSA-N 0 0 426.542 2.762 50 0 IFAARN O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1cc2ccccc2oc1=O ZINC000012443230 526360169 /nfs/dbraw/zinc/36/01/69/526360169.db2.gz JIIMCABTLPIHMM-UHFFFAOYSA-N 0 0 427.420 2.707 50 0 IFAARN Cc1nnc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)SCC3)s1 ZINC000020529983 526364058 /nfs/dbraw/zinc/36/40/58/526364058.db2.gz XUZCKHPQJMNPQW-UHFFFAOYSA-N 0 0 431.568 2.831 50 0 IFAARN Cc1nnc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)n1-c1ccccc1 ZINC000012512035 526379939 /nfs/dbraw/zinc/37/99/39/526379939.db2.gz PXMRPCMBUACINI-UHFFFAOYSA-N 0 0 429.590 2.819 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012880536 526401997 /nfs/dbraw/zinc/40/19/97/526401997.db2.gz SOWUPTTWNAZWAG-UHFFFAOYSA-N 0 0 425.913 2.738 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000012584368 526432941 /nfs/dbraw/zinc/43/29/41/526432941.db2.gz WXOFXAAAMJYYCN-UHFFFAOYSA-N 0 0 432.480 2.570 50 0 IFAARN O=C([C@@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000021940526 526463590 /nfs/dbraw/zinc/46/35/90/526463590.db2.gz GYYFCGBIZIOUIR-NRFANRHFSA-N 0 0 426.538 2.848 50 0 IFAARN O=C(CCN1C(=O)COc2ccccc21)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021533199 526478280 /nfs/dbraw/zinc/47/82/80/526478280.db2.gz LCIQKSDPIVCLDD-UHFFFAOYSA-N 0 0 448.445 2.955 50 0 IFAARN O=C([C@@H]1CCOC1)N1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(F)c2)C1 ZINC000014752419 526483932 /nfs/dbraw/zinc/48/39/32/526483932.db2.gz NBAWQCXCUHNOIL-FYYLOGMGSA-N 0 0 440.515 2.661 50 0 IFAARN O=C(CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1F ZINC000020766523 526487747 /nfs/dbraw/zinc/48/77/47/526487747.db2.gz IYVOTJWTUFCJMW-UHFFFAOYSA-N 0 0 425.913 2.814 50 0 IFAARN Cc1n[nH]c(C)c1CCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 ZINC000012386217 526494556 /nfs/dbraw/zinc/49/45/56/526494556.db2.gz FSRCIPLTTQRCQC-QHCPKHFHSA-N 0 0 433.556 2.571 50 0 IFAARN Cc1n[nH]c(C)c1CNC(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 ZINC000020454375 526495819 /nfs/dbraw/zinc/49/58/19/526495819.db2.gz PBSAOHHCOUDYSC-RMKNXTFCSA-N 0 0 434.544 2.776 50 0 IFAARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000009594025 526521180 /nfs/dbraw/zinc/52/11/80/526521180.db2.gz YWGFSBBGEYMVQQ-UHFFFAOYSA-N 0 0 436.424 2.836 50 0 IFAARN O=C([C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)C(=O)C1 ZINC000012749384 526531709 /nfs/dbraw/zinc/53/17/09/526531709.db2.gz XWDAOAPGOPQLLZ-IBGZPJMESA-N 0 0 439.943 2.997 50 0 IFAARN O=C([C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1)N1CC(=O)Nc2ccccc21 ZINC000021009878 526535021 /nfs/dbraw/zinc/53/50/21/526535021.db2.gz UOBNTXFDTWSZNM-CQSZACIVSA-N 0 0 439.946 2.930 50 0 IFAARN O=C(CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)NCCC1=CCCCC1 ZINC000020510183 526536913 /nfs/dbraw/zinc/53/69/13/526536913.db2.gz BLTODPIPQDSHTQ-UHFFFAOYSA-N 0 0 426.922 2.841 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccnc4)C3)c(C)s2)no1 ZINC000035555223 526561852 /nfs/dbraw/zinc/56/18/52/526561852.db2.gz XHDFTYIGVAEBDO-CQSZACIVSA-N 0 0 447.542 2.849 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCC4)C3)c(C)s2)no1 ZINC000035555268 526562216 /nfs/dbraw/zinc/56/22/16/526562216.db2.gz BPYXBEOOXBTJBK-AWEZNQCLSA-N 0 0 438.575 2.874 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCC4)C3)c(C)s2)no1 ZINC000035555272 526562322 /nfs/dbraw/zinc/56/23/22/526562322.db2.gz BPYXBEOOXBTJBK-CQSZACIVSA-N 0 0 438.575 2.874 50 0 IFAARN O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCc1nc(-c2ccccc2)no1 ZINC000012328701 526563277 /nfs/dbraw/zinc/56/32/77/526563277.db2.gz HHXBPDXBVLBXSY-DEOSSOPVSA-N 0 0 448.479 2.753 50 0 IFAARN O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000035431400 526577671 /nfs/dbraw/zinc/57/76/71/526577671.db2.gz IGNOAIDVXNZVEI-UHFFFAOYSA-N 0 0 428.496 2.870 50 0 IFAARN O=C(NC[C@H](c1ccsc1)N1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000022766652 526581942 /nfs/dbraw/zinc/58/19/42/526581942.db2.gz PLTWEHNHDHDYIZ-MRXNPFEDSA-N 0 0 427.448 2.895 50 0 IFAARN O=C(c1c[nH]nc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012531585 526583699 /nfs/dbraw/zinc/58/36/99/526583699.db2.gz YCULQSKXBYFMPV-UHFFFAOYSA-N 0 0 436.537 2.712 50 0 IFAARN Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)c2)no1 ZINC000021117030 526594853 /nfs/dbraw/zinc/59/48/53/526594853.db2.gz VEFOQVYAXANNEQ-UHFFFAOYSA-N 0 0 432.546 2.895 50 0 IFAARN O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1)c1cccnc1 ZINC000012583077 526595353 /nfs/dbraw/zinc/59/53/53/526595353.db2.gz JQFSXXKUFXHYJD-CQSZACIVSA-N 0 0 443.447 2.811 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2cccs2)CC1 ZINC000012599156 526595837 /nfs/dbraw/zinc/59/58/37/526595837.db2.gz CEXNJCYZNIFIMN-UHFFFAOYSA-N 0 0 447.626 2.810 50 0 IFAARN O=C(c1cc(=O)c2ccc(Br)cc2o1)N1CCN(CCc2ccncc2)CC1 ZINC000021659686 526599819 /nfs/dbraw/zinc/59/98/19/526599819.db2.gz IONIMAFSLYCBSW-UHFFFAOYSA-N 0 0 442.313 2.951 50 0 IFAARN Cc1nc(C(=O)NCC(=O)Nc2ccccc2Br)nn1-c1ccc(F)cc1 ZINC000012777946 526646472 /nfs/dbraw/zinc/64/64/72/526646472.db2.gz YVTOODOJEDOBIW-UHFFFAOYSA-N 0 0 432.253 2.846 50 0 IFAARN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012789910 526657685 /nfs/dbraw/zinc/65/76/85/526657685.db2.gz OPQXIBCUMOJAHA-UHFFFAOYSA-N 0 0 443.500 2.946 50 0 IFAARN O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 ZINC000020744309 526658807 /nfs/dbraw/zinc/65/88/07/526658807.db2.gz YNFLDBZIRADRNY-UHFFFAOYSA-N 0 0 442.324 2.788 50 0 IFAARN O=C(CCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCc1ccc2c(c1)OCO2 ZINC000033061908 526662078 /nfs/dbraw/zinc/66/20/78/526662078.db2.gz WSDNZKAETWDKEF-UHFFFAOYSA-N 0 0 428.445 2.907 50 0 IFAARN O=C(CCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)NCc1ccc(Cl)cc1 ZINC000021540389 526666105 /nfs/dbraw/zinc/66/61/05/526666105.db2.gz VIVIWMRNHNKUTF-UHFFFAOYSA-N 0 0 425.851 2.922 50 0 IFAARN O=C(CCn1ccc2ccccc21)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012609261 526674310 /nfs/dbraw/zinc/67/43/10/526674310.db2.gz YIRNDYABUSSKQB-UHFFFAOYSA-N 0 0 431.489 2.830 50 0 IFAARN O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000022484516 526683936 /nfs/dbraw/zinc/68/39/36/526683936.db2.gz FTGYHDPXKZBXPD-YADHBBJMSA-N 0 0 448.567 2.930 50 0 IFAARN O=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000020867306 526693096 /nfs/dbraw/zinc/69/30/96/526693096.db2.gz SMYQJLGKIXVIQQ-SJORKVTESA-N 0 0 437.493 2.678 50 0 IFAARN O=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)c1ccccc1F)Nc1ccc(F)cc1 ZINC000020867483 526693343 /nfs/dbraw/zinc/69/33/43/526693343.db2.gz MAIINYUFWDRJTL-NVXWUHKLSA-N 0 0 437.493 2.678 50 0 IFAARN O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024135206 526710400 /nfs/dbraw/zinc/71/04/00/526710400.db2.gz LBVRAHKXQJZSTQ-UHFFFAOYSA-N 0 0 436.480 2.576 50 0 IFAARN O=C(c1ccc(SCCN2CCOCC2)nc1)N1CCN(c2ccccc2F)CC1 ZINC000021663577 526711929 /nfs/dbraw/zinc/71/19/29/526711929.db2.gz ZSSGCMIBIMWQRP-UHFFFAOYSA-N 0 0 430.549 2.607 50 0 IFAARN Cc1nc(C)n(CC(=O)N(Cc2cccc(OC[C@@H]3CCOC3)c2)Cc2ccccn2)n1 ZINC000012167787 526757969 /nfs/dbraw/zinc/75/79/69/526757969.db2.gz BWHWHRJOHHYJOB-OAQYLSRUSA-N 0 0 435.528 2.934 50 0 IFAARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000012849536 526760200 /nfs/dbraw/zinc/76/02/00/526760200.db2.gz QNFILADZSOLALJ-UHFFFAOYSA-N 0 0 444.431 2.536 50 0 IFAARN O=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)NC1CCCCC1 ZINC000035537341 526762741 /nfs/dbraw/zinc/76/27/41/526762741.db2.gz JLJONYDRQACOPW-UHFFFAOYSA-N 0 0 437.338 2.574 50 0 IFAARN O=C(CN1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1 ZINC000012766803 526763216 /nfs/dbraw/zinc/76/32/16/526763216.db2.gz FICBFZLJJDNVDL-UHFFFAOYSA-N 0 0 427.505 2.577 50 0 IFAARN O=C(CN1CCN(C(=O)c2cc(Br)ccc2Cl)CC1)N1CCCCC1 ZINC000022697498 526765250 /nfs/dbraw/zinc/76/52/50/526765250.db2.gz KUGNFKARQGDQQJ-UHFFFAOYSA-N 0 0 428.758 2.873 50 0 IFAARN O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1)NC1CC1 ZINC000035380233 526765546 /nfs/dbraw/zinc/76/55/46/526765546.db2.gz OZNXOBLRQDKJDV-UHFFFAOYSA-N 0 0 429.524 2.576 50 0 IFAARN O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000022789642 526772966 /nfs/dbraw/zinc/77/29/66/526772966.db2.gz GFIGACQMRVJLQA-UHFFFAOYSA-N 0 0 436.921 2.596 50 0 IFAARN O=C(CN1CCN(Cc2ccc(F)cc2Cl)S1(=O)=O)Nc1ccc(F)cc1F ZINC000021634227 526774763 /nfs/dbraw/zinc/77/47/63/526774763.db2.gz NEIBLKVMOUCGMU-UHFFFAOYSA-N 0 0 433.839 2.758 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000012888201 526779858 /nfs/dbraw/zinc/77/98/58/526779858.db2.gz VKUASLQPFNVVMI-OFNKIYASSA-N 0 0 445.629 2.663 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)NC1CCCCCC1 ZINC000012877928 526780102 /nfs/dbraw/zinc/78/01/02/526780102.db2.gz TZNYYFJKSWDESV-UHFFFAOYSA-N 0 0 447.523 2.851 50 0 IFAARN O=C(CN1CCOCC1)Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000012521377 526790430 /nfs/dbraw/zinc/79/04/30/526790430.db2.gz MSFMRQAZWDLCBX-UHFFFAOYSA-N 0 0 425.510 2.911 50 0 IFAARN O=C(NCc1coc(-c2cccs2)n1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000022025311 526809267 /nfs/dbraw/zinc/80/92/67/526809267.db2.gz DUJJNVFFLHHYQL-ZDUSSCGKSA-N 0 0 425.466 2.844 50 0 IFAARN O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000012528492 526817979 /nfs/dbraw/zinc/81/79/79/526817979.db2.gz ZEXTTXWCMJORGS-IBGZPJMESA-N 0 0 449.429 2.770 50 0 IFAARN O=C(NCc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000012229934 526822637 /nfs/dbraw/zinc/82/26/37/526822637.db2.gz IKNNYINJEQBNTC-INIZCTEOSA-N 0 0 435.509 2.716 50 0 IFAARN O=C(CN1c2ccccc2[C@@]2(SCC(=O)N2c2ccccc2)C1=O)NCc1ccco1 ZINC000020573832 526828279 /nfs/dbraw/zinc/82/82/79/526828279.db2.gz YWDHCJITRWSVGQ-HSZRJFAPSA-N 0 0 433.489 2.875 50 0 IFAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)Nc1ccc(CN2CCOCC2)cc1 ZINC000020745449 526837772 /nfs/dbraw/zinc/83/77/72/526837772.db2.gz WOLRCSJGZRBCKI-UHFFFAOYSA-N 0 0 447.539 2.707 50 0 IFAARN O=C(CNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1)NCc1ccc2c(c1)OCO2 ZINC000012390669 526838374 /nfs/dbraw/zinc/83/83/74/526838374.db2.gz RFMYSQKREZAEBC-UHFFFAOYSA-N 0 0 440.887 2.934 50 0 IFAARN NC(=O)C1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)CC1 ZINC000012743049 526856414 /nfs/dbraw/zinc/85/64/14/526856414.db2.gz AQGUZYGOQGPBOJ-UHFFFAOYSA-N 0 0 435.328 2.642 50 0 IFAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nnc(SCc2ccccc2)s1 ZINC000021954486 526859432 /nfs/dbraw/zinc/85/94/32/526859432.db2.gz JTVVRURHKCPEDA-UHFFFAOYSA-N 0 0 428.495 2.928 50 0 IFAARN O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@@H]1CCN1CCOCC1 ZINC000020453684 526865383 /nfs/dbraw/zinc/86/53/83/526865383.db2.gz FUUMNESYRUQOKS-GOSISDBHSA-N 0 0 435.931 2.836 50 0 IFAARN O=C(CNC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(F)c1 ZINC000012893876 526865792 /nfs/dbraw/zinc/86/57/92/526865792.db2.gz KJBICVJKRKZYEN-ZDUSSCGKSA-N 0 0 440.493 2.613 50 0 IFAARN O=C(CNC(=O)c1occc1CS(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000023039130 526874906 /nfs/dbraw/zinc/87/49/06/526874906.db2.gz ZZDJGKDLINLADZ-UHFFFAOYSA-N 0 0 434.420 2.900 50 0 IFAARN O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012551443 526884332 /nfs/dbraw/zinc/88/43/32/526884332.db2.gz UERTYTZGTTXXFV-UHFFFAOYSA-N 0 0 448.907 2.812 50 0 IFAARN O=C(COC(=O)c1ccc(-n2cnnn2)cc1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000021335868 526912647 /nfs/dbraw/zinc/91/26/47/526912647.db2.gz WLNLGSSACBGKGC-OAQYLSRUSA-N 0 0 441.447 2.986 50 0 IFAARN O=C(COC(=O)c1ccc(-n2cccc2)cc1)NCc1ccccc1CN1CCOCC1 ZINC000021761491 526912966 /nfs/dbraw/zinc/91/29/66/526912966.db2.gz KMDZIJJVVOCUQL-UHFFFAOYSA-N 0 0 433.508 2.783 50 0 IFAARN Cc1nc(CSc2ccccc2C(=O)NC[C@H](Cc2cnn(C)c2)C(N)=O)cs1 ZINC000089712531 526916414 /nfs/dbraw/zinc/91/64/14/526916414.db2.gz RLWGYVJUCQTJTE-HNNXBMFYSA-N 0 0 429.571 2.551 50 0 IFAARN NC(=O)N[C@@H](CC(=O)NC[C@H]1COc2ccccc2O1)c1cccc(Br)c1 ZINC000032995822 526940139 /nfs/dbraw/zinc/94/01/39/526940139.db2.gz WBRNOGURXGFMRV-GJZGRUSLSA-N 0 0 434.290 2.505 50 0 IFAARN NC(=O)N[C@H](CC(=O)NCCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000032999649 526944158 /nfs/dbraw/zinc/94/41/58/526944158.db2.gz KIHOWMSTWKZLEC-MRXNPFEDSA-N 0 0 448.317 2.679 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000016425333 526965454 /nfs/dbraw/zinc/96/54/54/526965454.db2.gz USKASCTYUNOGQB-UHFFFAOYSA-N 0 0 443.569 2.589 50 0 IFAARN O=C(COc1ccccc1)Nc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)nc1 ZINC000034680621 526985447 /nfs/dbraw/zinc/98/54/47/526985447.db2.gz AKIZDGANWOWFMX-UHFFFAOYSA-N 0 0 430.508 2.990 50 0 IFAARN O=C(N[C@H](CO)c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012390801 527000173 /nfs/dbraw/zinc/00/01/73/527000173.db2.gz WFLWIFJWWAGFOI-OAQYLSRUSA-N 0 0 428.485 2.768 50 0 IFAARN NC(=O)[C@H]1CN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c2ccccc2O1 ZINC000035266992 527013191 /nfs/dbraw/zinc/01/31/91/527013191.db2.gz HCVXIOHTWVWZCA-QFBILLFUSA-N 0 0 436.493 2.772 50 0 IFAARN O=C1COc2ccc(S(=O)(=O)N3CCN(Cc4csc5ccccc45)CC3)cc2N1 ZINC000012769112 527015707 /nfs/dbraw/zinc/01/57/07/527015707.db2.gz MAPPBWNNKGAIDV-UHFFFAOYSA-N 0 0 443.550 2.739 50 0 IFAARN Cc1nc(SCc2ccc(F)cc2)[nH]c(=O)c1CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000023138509 527021969 /nfs/dbraw/zinc/02/19/69/527021969.db2.gz BCWBWUBYKZTSGB-UHFFFAOYSA-N 0 0 426.473 2.790 50 0 IFAARN Cn1c(=O)c2ccc(C(=O)Nc3nc(-c4ccc5c(c4)CCCC5)cs3)nc2n(C)c1=O ZINC000012894117 527027351 /nfs/dbraw/zinc/02/73/51/527027351.db2.gz UTLCMICUFSSZSG-UHFFFAOYSA-N 0 0 447.520 2.887 50 0 IFAARN NC(=O)c1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(N)=O)c1 ZINC000012549109 527029835 /nfs/dbraw/zinc/02/98/35/527029835.db2.gz ZSWCVIHDCZWFFX-UHFFFAOYSA-N 0 0 449.307 2.940 50 0 IFAARN Cn1c(=O)n(Cc2ccc(Br)cc2F)c(=O)c2cnc(-c3cccnc3)nc21 ZINC000035526689 527036706 /nfs/dbraw/zinc/03/67/06/527036706.db2.gz KDFKKJISBZUGRP-UHFFFAOYSA-N 0 0 442.248 2.502 50 0 IFAARN O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21)Nc1ccc2c(c1)OCCO2 ZINC000021537392 527051886 /nfs/dbraw/zinc/05/18/86/527051886.db2.gz AXYQRIGBVNCNBB-UHFFFAOYSA-N 0 0 435.465 2.587 50 0 IFAARN O=C(CSc1ncc(CO)n1CC(=O)NCc1ccccc1)Nc1ccc(F)cc1F ZINC000017179196 527068129 /nfs/dbraw/zinc/06/81/29/527068129.db2.gz XMBHIMMOKLPOKX-UHFFFAOYSA-N 0 0 446.479 2.701 50 0 IFAARN Cn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1[C@@H]1COc2ccccc2O1 ZINC000012779468 527083373 /nfs/dbraw/zinc/08/33/73/527083373.db2.gz JMQHHNWDLVTSSE-SFHVURJKSA-N 0 0 438.465 2.634 50 0 IFAARN O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000012855490 527087197 /nfs/dbraw/zinc/08/71/97/527087197.db2.gz RVRPFCIZAQLDHU-XCLFUZPHSA-N 0 0 437.279 2.963 50 0 IFAARN O=C(CSc1nnc(Nc2ccc(F)cc2)s1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000012749707 527088272 /nfs/dbraw/zinc/08/82/72/527088272.db2.gz BZMAGVHHRSRAIU-UHFFFAOYSA-N 0 0 449.533 2.701 50 0 IFAARN NC(=O)c1nc(-c2cc(Br)ccc2F)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 ZINC000015865175 527103107 /nfs/dbraw/zinc/10/31/07/527103107.db2.gz SUGYXQLLTSWUIY-UHFFFAOYSA-N 0 0 446.211 2.915 50 0 IFAARN Cn1c2ccc(S(=O)(=O)N(Cc3ccccc3)C(=O)c3ccco3)cc2n(C)c1=O ZINC000012293362 527103808 /nfs/dbraw/zinc/10/38/08/527103808.db2.gz BCGHVIKXCPSDMD-UHFFFAOYSA-N 0 0 425.466 2.501 50 0 IFAARN Cn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccc(F)cc1Cl ZINC000032946707 527105528 /nfs/dbraw/zinc/10/55/28/527105528.db2.gz RGHHTDGCNGPZIL-UHFFFAOYSA-N 0 0 428.898 2.744 50 0 IFAARN Cn1c2cn(Cc3cccnc3)c(-c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000012428133 527118586 /nfs/dbraw/zinc/11/85/86/527118586.db2.gz NFKLCXVHYFKVJE-UHFFFAOYSA-N 0 0 425.286 2.912 50 0 IFAARN Cn1c2cn(Cc3cccnc3)c(-c3ccccc3Br)c2c(=O)n(C)c1=O ZINC000012428159 527118679 /nfs/dbraw/zinc/11/86/79/527118679.db2.gz PWUVRLQZQNPUFW-UHFFFAOYSA-N 0 0 425.286 2.912 50 0 IFAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012769753 527120117 /nfs/dbraw/zinc/12/01/17/527120117.db2.gz QSJQKFPFJALBCS-UHFFFAOYSA-N 0 0 431.464 2.968 50 0 IFAARN Cn1c2nc(NCc3ccccc3Cl)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000001409280 527122833 /nfs/dbraw/zinc/12/28/33/527122833.db2.gz HHOBROCZHHIVEY-UHFFFAOYSA-N 0 0 427.867 2.887 50 0 IFAARN Cn1c2nc3n(cc(C45CC6CC(CC(C6)C4)C5)n3-c3ccccc3O)c2c(=O)n(C)c1=O ZINC000012427932 527124939 /nfs/dbraw/zinc/12/49/39/527124939.db2.gz JYLWPMMFXYBLAD-UHFFFAOYSA-N 0 0 445.523 2.849 50 0 IFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC000020933151 527136596 /nfs/dbraw/zinc/13/65/96/527136596.db2.gz MEIUNCOHJMPFRO-UHFFFAOYSA-N 0 0 429.404 2.957 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000020607861 527162081 /nfs/dbraw/zinc/16/20/81/527162081.db2.gz NDXJNZQBUDLXQE-UHFFFAOYSA-N 0 0 446.507 2.848 50 0 IFAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1n[nH]c(=O)c2ccccc21 ZINC000032960715 527177975 /nfs/dbraw/zinc/17/79/75/527177975.db2.gz DZHLCJBCXBOVMX-UHFFFAOYSA-N 0 0 432.889 2.613 50 0 IFAARN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021533110 527202754 /nfs/dbraw/zinc/20/27/54/527202754.db2.gz DMLREBDTGGCJDM-UHFFFAOYSA-N 0 0 447.465 2.826 50 0 IFAARN O=S(=O)(NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000012754641 527209911 /nfs/dbraw/zinc/20/99/11/527209911.db2.gz PLBVNFIYFJDLQB-UHFFFAOYSA-N 0 0 448.488 2.837 50 0 IFAARN O=S(=O)(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000017332385 527216783 /nfs/dbraw/zinc/21/67/83/527216783.db2.gz KPDDXCHPCDLASZ-UHFFFAOYSA-N 0 0 437.827 2.915 50 0 IFAARN O=S(=O)(NCCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(Br)cc1 ZINC000035509267 527220178 /nfs/dbraw/zinc/22/01/78/527220178.db2.gz DIDWSRYRUDSDRJ-UHFFFAOYSA-N 0 0 425.283 2.894 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012536392 527229714 /nfs/dbraw/zinc/22/97/14/527229714.db2.gz GFEQWMCXJVWMAZ-UHFFFAOYSA-N 0 0 447.532 2.702 50 0 IFAARN O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(Br)c1 ZINC000012852740 527235094 /nfs/dbraw/zinc/23/50/94/527235094.db2.gz ZJCWHCWCQKXBEA-SFHVURJKSA-N 0 0 425.348 2.801 50 0 IFAARN O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)cc1 ZINC000012930095 527240408 /nfs/dbraw/zinc/24/04/08/527240408.db2.gz NHEDCZCYYSNOQV-GOSISDBHSA-N 0 0 425.348 2.801 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1N1CCCC1=O ZINC000012904447 527244456 /nfs/dbraw/zinc/24/44/56/527244456.db2.gz KGEUNCKSUFZBLU-UHFFFAOYSA-N 0 0 433.555 2.841 50 0 IFAARN Cc1ncc(CO)c2cc(C(=O)NC3=C[C@H]4OCO[C@@H]4C=C3)/c(=N/c3ccccc3)oc12 ZINC000020617619 527281482 /nfs/dbraw/zinc/28/14/82/527281482.db2.gz VVTOPNAYOHOVPI-RSIBPKCYSA-N 0 0 431.448 2.786 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000012229875 527286254 /nfs/dbraw/zinc/28/62/54/527286254.db2.gz VVLLETYZUUBNPN-QGZVFWFLSA-N 0 0 439.493 2.933 50 0 IFAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000020745408 527288793 /nfs/dbraw/zinc/28/87/93/527288793.db2.gz XPRLADBFCKHGEL-UHFFFAOYSA-N 0 0 434.378 2.727 50 0 IFAARN O=S(=O)(c1ccccc1Cl)N1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000012813965 527288931 /nfs/dbraw/zinc/28/89/31/527288931.db2.gz PQWUIDKLZUGVHG-UHFFFAOYSA-N 0 0 426.897 2.852 50 0 IFAARN O=S(=O)(c1nnn2c3ccsc3c(N3CCOCC3)nc12)c1cccc(Cl)c1 ZINC000020922267 527296274 /nfs/dbraw/zinc/29/62/74/527296274.db2.gz IVYGCCAQEONGJR-UHFFFAOYSA-N 0 0 435.918 2.662 50 0 IFAARN O=C(Cc1ccsc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000012753261 527316930 /nfs/dbraw/zinc/31/69/30/527316930.db2.gz WZOXIMQVMLIRBE-UHFFFAOYSA-N 0 0 429.361 2.586 50 0 IFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)NCc1ccc(Cl)cc1 ZINC000035449993 527349514 /nfs/dbraw/zinc/34/95/14/527349514.db2.gz QFMAESKVDDKROM-UHFFFAOYSA-N 0 0 434.883 2.576 50 0 IFAARN O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000012360174 527351495 /nfs/dbraw/zinc/35/14/95/527351495.db2.gz UQHVBCOWKLDEIS-UHFFFAOYSA-N 0 0 443.862 2.905 50 0 biogenic,in-vitro IFAARN O=C(Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)NCCCc1ccccc1 ZINC000021944179 527360193 /nfs/dbraw/zinc/36/01/93/527360193.db2.gz DVAVCKDQWGQZAL-UHFFFAOYSA-N 0 0 427.504 2.961 50 0 IFAARN O=C(Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)N1CCN(c2ccccc2F)CC1 ZINC000033300961 527363077 /nfs/dbraw/zinc/36/30/77/527363077.db2.gz CHWVBFCYKHBCKR-UHFFFAOYSA-N 0 0 449.530 2.875 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cccc(I)c1 ZINC000012553073 527372095 /nfs/dbraw/zinc/37/20/95/527372095.db2.gz CYTZKLDGXWBQMO-UHFFFAOYSA-N 0 0 442.278 2.984 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1I ZINC000012770284 527372871 /nfs/dbraw/zinc/37/28/71/527372871.db2.gz SAXRJJPFQVBSMA-UHFFFAOYSA-N 0 0 442.278 2.984 50 0 IFAARN Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)N1CCc2ccccc2C1 ZINC000021155541 527401975 /nfs/dbraw/zinc/40/19/75/527401975.db2.gz SEWYROZJZJWWKH-OAQYLSRUSA-N 0 0 446.507 2.608 50 0 IFAARN Cn1cccc1[C@H](CNC(=O)C(=O)NCc1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000021155537 527407267 /nfs/dbraw/zinc/40/72/67/527407267.db2.gz GOKOCPXIUBIYHI-QHCPKHFHSA-N 0 0 434.515 2.696 50 0 IFAARN O=C(Nc1ccccc1C(F)(F)F)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 ZINC000014533802 527411593 /nfs/dbraw/zinc/41/15/93/527411593.db2.gz VHGOAFRSKDRJGJ-QGTPRVQTSA-N 0 0 446.429 2.538 50 0 IFAARN O=C(Cn1nc(-c2cccs2)oc1=O)Nc1cccc(I)c1 ZINC000012787507 527414583 /nfs/dbraw/zinc/41/45/83/527414583.db2.gz MQKLFLNLAUDZEX-UHFFFAOYSA-N 0 0 427.223 2.808 50 0 IFAARN O=C(Cn1nc2c(c1NC(=O)c1c[nH]c3ccccc13)CSC2)NC[C@@H]1CCCO1 ZINC000035596856 527417837 /nfs/dbraw/zinc/41/78/37/527417837.db2.gz UNNBXQILYCSJNA-ZDUSSCGKSA-N 0 0 425.514 2.659 50 0 IFAARN O=c1[nH]c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2sc3c(c21)CCCC3 ZINC000022038512 527438792 /nfs/dbraw/zinc/43/87/92/527438792.db2.gz NARWTZVLEXOLIZ-UHFFFAOYSA-N 0 0 438.553 2.910 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1 ZINC000012628550 527464571 /nfs/dbraw/zinc/46/45/71/527464571.db2.gz IGOAERVYUKGJSM-HXUWFJFHSA-N 0 0 442.516 2.863 50 0 IFAARN O=c1cc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)nc2sc3c(n21)CCCC3 ZINC000012766004 527481116 /nfs/dbraw/zinc/48/11/16/527481116.db2.gz IMDOZKAOXSZNPD-UHFFFAOYSA-N 0 0 430.493 2.579 50 0 IFAARN Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000033088115 527533421 /nfs/dbraw/zinc/53/34/21/527533421.db2.gz MDBZPOBUSGUORU-GFCCVEGCSA-N 0 0 442.252 2.994 50 0 IFAARN Cc1nn(-c2ccc3nncn3n2)c(C)c1CCC(=O)NCCc1c[nH]c2ccccc12 ZINC000035448301 527533546 /nfs/dbraw/zinc/53/35/46/527533546.db2.gz GTGJPDXMYPSABK-UHFFFAOYSA-N 0 0 428.500 2.700 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000035424670 527546123 /nfs/dbraw/zinc/54/61/23/527546123.db2.gz WQAIVNSNGJCHMG-UHFFFAOYSA-N 0 0 430.574 2.902 50 0 IFAARN Cn1nc(C(C)(C)C)cc1NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000012907130 527549957 /nfs/dbraw/zinc/54/99/57/527549957.db2.gz FEMUHSDNMATLGZ-AWEZNQCLSA-N 0 0 429.546 2.517 50 0 IFAARN Nc1nc(SCC(=O)NCc2ccccc2Cl)[nH]c(=O)c1NC(=O)c1ccccc1 ZINC000012140417 527558015 /nfs/dbraw/zinc/55/80/15/527558015.db2.gz FYPZBEGKASMRSH-UHFFFAOYSA-N 0 0 443.916 2.666 50 0 IFAARN Cc1nn(-c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)c(C)c1C ZINC000012231942 527571001 /nfs/dbraw/zinc/57/10/01/527571001.db2.gz JYHCIPOTURCZGC-UHFFFAOYSA-N 0 0 447.326 2.900 50 0 IFAARN O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cnccn3)C[C@H]12 ZINC000035871630 527597230 /nfs/dbraw/zinc/59/72/30/527597230.db2.gz RAYHVZXBLNAFET-PKOBYXMFSA-N 0 0 431.462 2.889 50 0 IFAARN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000012908647 527606349 /nfs/dbraw/zinc/60/63/49/527606349.db2.gz QPJZMGPJZRUYKK-CEQQRPIWSA-N 0 0 444.578 2.869 50 0 IFAARN O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000014817090 527616459 /nfs/dbraw/zinc/61/64/59/527616459.db2.gz KFJLAEAWWOXFSY-RMKNXTFCSA-N 0 0 438.452 2.961 50 0 IFAARN O=C(NCCCN(C(=O)c1cccnc1)C1CCCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000022472312 527657872 /nfs/dbraw/zinc/65/78/72/527657872.db2.gz OEMQZQXJOAKSMV-UHFFFAOYSA-N 0 0 433.512 2.913 50 0 IFAARN CCCCCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000001863040 535147545 /nfs/dbraw/zinc/14/75/45/535147545.db2.gz ZWHCMCUJSHPCFE-UHFFFAOYSA-N 0 0 430.940 2.594 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2cccc(C)c2C)[C@@](C)(C(=O)NC2CCCCCC2)C1 ZINC000008590627 535656400 /nfs/dbraw/zinc/65/64/00/535656400.db2.gz NGLJHLQKRVMBDM-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCc3ccccc32)cc1OCC ZINC000003285702 535706382 /nfs/dbraw/zinc/70/63/82/535706382.db2.gz AHYROGXKLDEISV-UHFFFAOYSA-N 0 0 440.496 2.736 50 0 IFAARN CCOC(CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)OCC ZINC000010220744 535738257 /nfs/dbraw/zinc/73/82/57/535738257.db2.gz KASZQGHDIFAOGP-UHFFFAOYSA-N 0 0 445.541 2.795 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CCC(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)CC1 ZINC000002960601 535769093 /nfs/dbraw/zinc/76/90/93/535769093.db2.gz PJQLUALDNIQNCZ-CQSZACIVSA-N 0 0 437.924 2.971 50 0 IFAARN CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1CCCc2ccccc21 ZINC000009095846 535983422 /nfs/dbraw/zinc/98/34/22/535983422.db2.gz PWSHXGYVWWBWCU-UHFFFAOYSA-N 0 0 425.514 2.893 50 0 IFAARN CN1CCN(c2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCN(C)C4)CC1 ZINC000002429170 536426113 /nfs/dbraw/zinc/42/61/13/536426113.db2.gz OPWNSIFFKPUVMZ-UHFFFAOYSA-N 0 0 429.977 2.840 50 0 IFAARN COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000009284773 536560281 /nfs/dbraw/zinc/56/02/81/536560281.db2.gz KLAJAFAXNPZWRM-OAHLLOKOSA-N 0 0 440.529 2.627 50 0 IFAARN COc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc(C(F)(F)F)c2)CN=3)cc1OC ZINC000013810093 536614596 /nfs/dbraw/zinc/61/45/96/536614596.db2.gz UQCZYQALKASKRW-NVMNQCDNSA-N 0 0 449.454 2.829 50 0 IFAARN COc1ccc(N2C(=O)c3ccccc3/C(=C/NNS(=O)(=O)c3ccccc3)C2=O)cc1 ZINC000006172702 536664987 /nfs/dbraw/zinc/66/49/87/536664987.db2.gz LMVFYJWWAOFUKQ-QNGOZBTKSA-N 0 0 449.488 2.706 50 0 IFAARN COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)cc1 ZINC000009647108 536701171 /nfs/dbraw/zinc/70/11/71/536701171.db2.gz PCASEEHYVSQHJV-UHFFFAOYSA-N 0 0 441.509 2.884 50 0 IFAARN COC(=O)c1sc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c(C(=O)OC)c1C ZINC000009646472 536871011 /nfs/dbraw/zinc/87/10/11/536871011.db2.gz OWCXMLHGYUIRJB-UHFFFAOYSA-N 0 0 429.454 2.751 50 0 IFAARN COc1ccccc1N1CCCn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C ZINC000009519175 537062595 /nfs/dbraw/zinc/06/25/95/537062595.db2.gz HTSJEAWZBJIHIM-UHFFFAOYSA-N 0 0 431.496 2.804 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2)cc1OC ZINC000000639846 555517819 /nfs/dbraw/zinc/51/78/19/555517819.db2.gz UQGUPLRWMWMKGX-UHFFFAOYSA-N 0 0 441.509 2.611 50 0 IFAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000000678688 555536259 /nfs/dbraw/zinc/53/62/59/555536259.db2.gz DAVBZOXJWDQUIG-UHFFFAOYSA-N 0 0 448.298 2.810 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000000701907 555542841 /nfs/dbraw/zinc/54/28/41/555542841.db2.gz XSSVSFCKPZNHNG-FCXRPNKRSA-N 0 0 434.448 2.541 50 0 IFAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000708977 555546131 /nfs/dbraw/zinc/54/61/31/555546131.db2.gz DXLVSXMUPCSXRM-IBGZPJMESA-N 0 0 427.457 2.988 50 0 IFAARN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)ccc1O ZINC000000716309 555548617 /nfs/dbraw/zinc/54/86/17/555548617.db2.gz PQWQITBQKOXZAS-FQEVSTJZSA-N 0 0 426.425 2.891 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccc(Cl)cc2)cc1 ZINC000000785344 555556122 /nfs/dbraw/zinc/55/61/22/555556122.db2.gz KIUVDPXQRBRANA-UHFFFAOYSA-N 0 0 449.960 2.568 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCc1cccnc1 ZINC000000810344 555560619 /nfs/dbraw/zinc/56/06/19/555560619.db2.gz ACLWLUDHAXHXRR-UHFFFAOYSA-N 0 0 445.928 2.909 50 0 IFAARN COc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000000813358 555561135 /nfs/dbraw/zinc/56/11/35/555561135.db2.gz OVIWQLIFYHDOEC-UHFFFAOYSA-N 0 0 435.527 2.571 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1Cl ZINC000000824245 555564599 /nfs/dbraw/zinc/56/45/99/555564599.db2.gz XRYLJJKSCOLDID-UHFFFAOYSA-N 0 0 428.894 2.771 50 0 IFAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1 ZINC000000846192 555569703 /nfs/dbraw/zinc/56/97/03/555569703.db2.gz WPDOCWCLSKMEDG-NRFANRHFSA-N 0 0 439.512 2.561 50 0 IFAARN Cc1c(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000000869399 555574645 /nfs/dbraw/zinc/57/46/45/555574645.db2.gz MQWHFENNMYBCLT-UHFFFAOYSA-N 0 0 448.932 2.543 50 0 IFAARN COc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000869488 555574992 /nfs/dbraw/zinc/57/49/92/555574992.db2.gz RYKMPMOBXFDEEB-GOSISDBHSA-N 0 0 448.541 2.503 50 0 IFAARN COc1ccc(C)cc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1 ZINC000000880185 555577153 /nfs/dbraw/zinc/57/71/53/555577153.db2.gz CRWWAZNSXZHVHQ-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN COc1cccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000889725 555579460 /nfs/dbraw/zinc/57/94/60/555579460.db2.gz XEMDEIUGVMYBJF-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN COc1cccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000888959 555579524 /nfs/dbraw/zinc/57/95/24/555579524.db2.gz BJFBMYZDEXGVHF-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccc(C)cc2)cc1 ZINC000000916175 555583487 /nfs/dbraw/zinc/58/34/87/555583487.db2.gz XWVJGPAMDDVHRT-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 ZINC000000954849 555589950 /nfs/dbraw/zinc/58/99/50/555589950.db2.gz CYYNOOKHCRKFDV-UHFFFAOYSA-N 0 0 433.511 2.578 50 0 IFAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(I)c(O)c(OCC)c1 ZINC000000997282 555598997 /nfs/dbraw/zinc/59/89/97/555598997.db2.gz KPNZMMIMIZQHTL-CYBMUJFWSA-N 0 0 446.241 2.587 50 0 IFAARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2nn(CC)cc2Br)cc1 ZINC000001002757 555600548 /nfs/dbraw/zinc/60/05/48/555600548.db2.gz PVEJQQFPPGWFLD-UHFFFAOYSA-N 0 0 425.308 2.969 50 0 aggregator IFAARN CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C(=O)OCC)[C@]12c1ccccc1NC2=O ZINC000001022841 555604039 /nfs/dbraw/zinc/60/40/39/555604039.db2.gz DXLLVZFXTGLYEM-XMMPIXPASA-N 0 0 434.448 2.615 50 0 IFAARN Cn1ncc2c1[nH]cnc2=NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001027771 555604756 /nfs/dbraw/zinc/60/47/56/555604756.db2.gz CERSDYRGJYVDLH-UHFFFAOYSA-N 0 0 440.329 2.706 50 0 IFAARN Cn1c(Cc2nc(-c3cnccn3)no2)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000001040025 555609625 /nfs/dbraw/zinc/60/96/25/555609625.db2.gz JXIWMOGKGSOVSH-UHFFFAOYSA-N 0 0 427.877 2.874 50 0 IFAARN COC(=O)c1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1C ZINC000001056749 555614578 /nfs/dbraw/zinc/61/45/78/555614578.db2.gz HHMJMCJKQYLBJJ-UHFFFAOYSA-N 0 0 428.869 2.979 50 0 IFAARN COc1ccc(Cl)c(Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000001070031 555620634 /nfs/dbraw/zinc/62/06/34/555620634.db2.gz DWBUXSFJQBTANJ-UHFFFAOYSA-N 0 0 431.924 2.889 50 0 IFAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(NC(=O)c2ccccc2F)C1=S ZINC000001073437 555622604 /nfs/dbraw/zinc/62/26/04/555622604.db2.gz SZJWXKFYJBGXHX-INIZCTEOSA-N 0 0 448.907 2.970 50 0 IFAARN CCOC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@H]1c1ccc(Cl)cc1 ZINC000001076509 555624282 /nfs/dbraw/zinc/62/42/82/555624282.db2.gz RWZPGZUNGRUYDQ-GXFFZTMASA-N 0 0 436.917 2.909 50 0 IFAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000001108992 555630489 /nfs/dbraw/zinc/63/04/89/555630489.db2.gz PTRALTGGCGQGDA-KRWDZBQOSA-N 0 0 441.509 2.770 50 0 IFAARN CCOc1ccc(-c2cc(C(=O)Nc3cc(=O)n(C)c(=O)n3C)c3ccccc3n2)cc1 ZINC000001116826 555634943 /nfs/dbraw/zinc/63/49/43/555634943.db2.gz VMUFDAYLCVNJPX-UHFFFAOYSA-N 0 0 430.464 2.950 50 0 IFAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000001153904 555657884 /nfs/dbraw/zinc/65/78/84/555657884.db2.gz CDZKYUPKOOAALK-UHFFFAOYSA-N 0 0 426.897 2.529 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000001157154 555659560 /nfs/dbraw/zinc/65/95/60/555659560.db2.gz AYFALMIJBGFFGM-UHFFFAOYSA-N 0 0 441.303 2.625 50 0 IFAARN CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F ZINC000001157449 555659867 /nfs/dbraw/zinc/65/98/67/555659867.db2.gz KYIWLCVIVOVHDH-MJVIPROJSA-N 0 0 425.201 2.575 50 0 IFAARN CCOC(=O)CN1c2ccccc2[C@](O)(CC(=O)c2cccc(Br)c2)C1=O ZINC000001170370 555666214 /nfs/dbraw/zinc/66/62/14/555666214.db2.gz SLIJTAWYWYBXCR-HXUWFJFHSA-N 0 0 432.270 2.819 50 0 IFAARN NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CCCC3 ZINC000001204980 555679971 /nfs/dbraw/zinc/67/99/71/555679971.db2.gz QFEGYMZILKUEEW-UHFFFAOYSA-N 0 0 425.539 2.610 50 0 IFAARN Cc1c(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000001424507 555695707 /nfs/dbraw/zinc/69/57/07/555695707.db2.gz BATVFINKSGZMNW-UHFFFAOYSA-N 0 0 448.504 2.785 50 0 IFAARN COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000001434908 555696820 /nfs/dbraw/zinc/69/68/20/555696820.db2.gz JZEVVUQNRJUGSU-UHFFFAOYSA-N 0 0 427.482 2.933 50 0 IFAARN CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000001805640 555717566 /nfs/dbraw/zinc/71/75/66/555717566.db2.gz ANGCMKMCWLKPEK-UHFFFAOYSA-N 0 0 449.598 2.940 50 0 IFAARN CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001893961 555722996 /nfs/dbraw/zinc/72/29/96/555722996.db2.gz MICRODNJZKNSMX-NHCUHLMSSA-N 0 0 436.508 2.988 50 0 IFAARN CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1I ZINC000002058346 555731114 /nfs/dbraw/zinc/73/11/14/555731114.db2.gz HDQPWINJCHICLO-OAHLLOKOSA-N 0 0 444.269 2.841 50 0 IFAARN Cc1nc(S(=O)(=O)N2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)cn1C ZINC000071890420 555744758 /nfs/dbraw/zinc/74/47/58/555744758.db2.gz PIBNWRUNGTZCQH-MRXNPFEDSA-N 0 0 431.493 2.876 50 0 IFAARN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000002134727 555746902 /nfs/dbraw/zinc/74/69/02/555746902.db2.gz UCVTUFJBKIRJLF-UHFFFAOYSA-N 0 0 446.510 2.779 50 0 IFAARN CCOC(=O)NC(=S)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 ZINC000002182566 555754263 /nfs/dbraw/zinc/75/42/63/555754263.db2.gz OZATXAUCNZGURV-UHFFFAOYSA-N 0 0 429.520 2.882 50 0 IFAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)C1C=CC2[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000002305169 555767205 /nfs/dbraw/zinc/76/72/05/555767205.db2.gz ZKXHQSHCOVDPJB-ICDVORIESA-N 0 0 434.398 2.692 50 0 IFAARN Cc1c(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000002495586 555784087 /nfs/dbraw/zinc/78/40/87/555784087.db2.gz FPUMLNPRZCQJCC-UHFFFAOYSA-N 0 0 442.541 2.506 50 0 IFAARN CN(C)c1nc(N2CCN(C)CC2)nc2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000034676730 555794692 /nfs/dbraw/zinc/79/46/92/555794692.db2.gz YFKLTYVDEWNGSJ-UHFFFAOYSA-N 0 0 448.493 2.512 50 0 IFAARN Cc1ccc(NC(=O)c2coc(CN3CCN(C[C@H](O)COC(C)(C)C)CC3)n2)cc1F ZINC000034677468 555795789 /nfs/dbraw/zinc/79/57/89/555795789.db2.gz WXWRKKJKXDDKRF-SFHVURJKSA-N 0 0 448.539 2.668 50 0 IFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1cccs1 ZINC000002672488 555797549 /nfs/dbraw/zinc/79/75/49/555797549.db2.gz SFBGHANYRHUWLH-HKBKRHGFSA-N 0 0 446.575 2.548 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2cccc(OC)c2)c1=O ZINC000034692761 555805350 /nfs/dbraw/zinc/80/53/50/555805350.db2.gz CMLHNYPDROJBLP-UHFFFAOYSA-N 0 0 440.887 2.706 50 0 IFAARN O=c1c2c(ncn2Cc2ccccc2F)n(-c2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000034693094 555805976 /nfs/dbraw/zinc/80/59/76/555805976.db2.gz AMRDKFKGQBCMBF-SFHVURJKSA-N 0 0 438.434 2.854 50 0 IFAARN O=C(NCc1ccccc1)c1coc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000034684342 555819927 /nfs/dbraw/zinc/81/99/27/555819927.db2.gz RRYUYOLEXAHTEM-UHFFFAOYSA-N 0 0 434.496 2.651 50 0 IFAARN COCc1nnc2c3ccccc3nc(N3CCCN(C(=O)c4ccccc4OC)CC3)n12 ZINC000034706839 555821818 /nfs/dbraw/zinc/82/18/18/555821818.db2.gz WVOCWRPDIVZUGS-UHFFFAOYSA-N 0 0 446.511 2.785 50 0 IFAARN COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccc(C)cc2)n1C ZINC000002841132 555835573 /nfs/dbraw/zinc/83/55/73/555835573.db2.gz RHHAFGXGAFHXKI-UHFFFAOYSA-N 0 0 425.514 2.793 50 0 IFAARN O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1ccc2c(c1)OCO2 ZINC000002865805 555847115 /nfs/dbraw/zinc/84/71/15/555847115.db2.gz JWUWADVZBOZPDO-UHFFFAOYSA-N 0 0 436.453 2.836 50 0 IFAARN O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(SCC(=O)c2ccccc2)s1 ZINC000002866197 555847475 /nfs/dbraw/zinc/84/74/75/555847475.db2.gz RGMLPHDEDKUCMA-UHFFFAOYSA-N 0 0 437.506 2.862 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccc2c(c1)OCO2 ZINC000002871354 555850054 /nfs/dbraw/zinc/85/00/54/555850054.db2.gz KJGBSGRJFUGHSI-UHFFFAOYSA-N 0 0 445.266 2.722 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2C(=O)CN(c3ccc(Br)cc3)C2=O)cc1 ZINC000002874508 555851292 /nfs/dbraw/zinc/85/12/92/555851292.db2.gz AFNVFIOYWVYDMK-UHFFFAOYSA-N 0 0 446.257 2.643 50 0 IFAARN CCCCN1C(=O)[C@@](NC(=O)c2ccccc2OC)(C(F)(F)F)C(C(=O)OC)=C1C ZINC000002875724 555852326 /nfs/dbraw/zinc/85/23/26/555852326.db2.gz ATEZTCSAKXQZNA-LJQANCHMSA-N 0 0 428.407 2.815 50 0 IFAARN CC[C@@H](Sc1nnc(N)s1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)OC ZINC000002876786 555852478 /nfs/dbraw/zinc/85/24/78/555852478.db2.gz LJAWLFODFCTBQI-QWHCGFSZSA-N 0 0 426.589 2.582 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000002879349 555854268 /nfs/dbraw/zinc/85/42/68/555854268.db2.gz FSMXRIVWQXSNTL-SFHVURJKSA-N 0 0 436.917 2.523 50 0 IFAARN COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 ZINC000002887529 555858720 /nfs/dbraw/zinc/85/87/20/555858720.db2.gz HSIRORYURKSYIK-UHFFFAOYSA-N 0 0 428.869 2.979 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)cc1C ZINC000002888502 555858870 /nfs/dbraw/zinc/85/88/70/555858870.db2.gz BWRKJLIARHSSMX-UHFFFAOYSA-N 0 0 432.542 2.729 50 0 IFAARN COCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000002985999 555873984 /nfs/dbraw/zinc/87/39/84/555873984.db2.gz ZLFQRFYIJKNCRH-UHFFFAOYSA-N 0 0 426.922 2.697 50 0 IFAARN COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccco1)S(C)(=O)=O ZINC000002991724 555875189 /nfs/dbraw/zinc/87/51/89/555875189.db2.gz IMECPLOSBVNLED-UHFFFAOYSA-N 0 0 432.951 2.757 50 0 IFAARN CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1 ZINC000010548749 555889382 /nfs/dbraw/zinc/88/93/82/555889382.db2.gz UJBIPJZSCGBVAC-UHFFFAOYSA-N 0 0 435.509 2.781 50 0 IFAARN CC1CCN(c2nc3c(c(N4CCOCC4)n2)CN(C(=O)Cc2ccccc2)CC3)CC1 ZINC000034756211 555901427 /nfs/dbraw/zinc/90/14/27/555901427.db2.gz PBJFZWRVVCQKMY-UHFFFAOYSA-N 0 0 435.572 2.677 50 0 IFAARN CCS(=O)(=O)N1CCc2nc(N3CCCCC3)nc(Oc3ccccc3OC)c2C1 ZINC000034756874 555901964 /nfs/dbraw/zinc/90/19/64/555901964.db2.gz QHESQRWZKIJFBH-UHFFFAOYSA-N 0 0 432.546 2.976 50 0 IFAARN Cc1ccccc1N1CCN(C(=O)c2n[nH]c3c2CN(C(=O)c2ccccc2)CC3)CC1 ZINC000034809700 555908246 /nfs/dbraw/zinc/90/82/46/555908246.db2.gz CBVKRWLYLXEUEG-UHFFFAOYSA-N 0 0 429.524 2.879 50 0 IFAARN O=C(NCc1cccnc1)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O ZINC000034810784 555908413 /nfs/dbraw/zinc/90/84/13/555908413.db2.gz HSDCEMXNGLUMIL-UHFFFAOYSA-N 0 0 429.402 2.883 50 0 IFAARN CN1C2=C(C(=O)N(CC(=O)NCc3ccco3)C2)[C@@H](c2ccc(C(C)(C)C)cc2)NC1=O ZINC000034792531 555916612 /nfs/dbraw/zinc/91/66/12/555916612.db2.gz ZXRWMCKNIVETIC-OAQYLSRUSA-N 0 0 436.512 2.686 50 0 IFAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)no2)cc1 ZINC000034904619 555918994 /nfs/dbraw/zinc/91/89/94/555918994.db2.gz IDNDYPZKECDARV-UHFFFAOYSA-N 0 0 438.484 2.720 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3noc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000034904971 555919306 /nfs/dbraw/zinc/91/93/06/555919306.db2.gz NCZDASQGTSCHLU-UHFFFAOYSA-N 0 0 428.514 2.560 50 0 IFAARN O=C(COc1ccccc1)NCCNC(=O)c1csc(COc2ccccc2F)n1 ZINC000034905863 555920003 /nfs/dbraw/zinc/92/00/03/555920003.db2.gz NERDXGHNSCDNTD-UHFFFAOYSA-N 0 0 429.473 2.786 50 0 IFAARN CCOC(=O)C1=C(CN(CC)C[C@@H]2COc3ccccc3O2)NC(=O)N[C@H]1c1ccco1 ZINC000034872116 555925729 /nfs/dbraw/zinc/92/57/29/555925729.db2.gz YSWNZHQCVSQGQW-VFNWGFHPSA-N 0 0 441.484 2.613 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ncc(C)s3)c2)CC1 ZINC000034892373 555927258 /nfs/dbraw/zinc/92/72/58/555927258.db2.gz VSDYTEMDYSQKMI-UHFFFAOYSA-N 0 0 428.967 2.683 50 0 IFAARN COc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 ZINC000003373204 555928314 /nfs/dbraw/zinc/92/83/14/555928314.db2.gz ZEKPUWDXISVHRP-UHFFFAOYSA-N 0 0 434.404 2.880 50 0 IFAARN COc1cc2c(c(-c3c(O)c(OC)cc4c3CN(C(C)=O)CC4)c1O)CN(C(C)=O)CC2 ZINC000003847344 555948487 /nfs/dbraw/zinc/94/84/87/555948487.db2.gz PADGLHUEGYLOQF-UHFFFAOYSA-N 0 0 440.496 2.591 50 0 IFAARN Cc1csc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)n1 ZINC000010554089 555968527 /nfs/dbraw/zinc/96/85/27/555968527.db2.gz RDPSENKFNKHGON-UHFFFAOYSA-N 0 0 429.483 2.674 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000004199874 555975969 /nfs/dbraw/zinc/97/59/69/555975969.db2.gz GFZXRHHBPCXXGX-UHFFFAOYSA-N 0 0 438.571 2.941 50 0 IFAARN O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1I ZINC000002225091 556062348 /nfs/dbraw/zinc/06/23/48/556062348.db2.gz MBWTXFKYCWMFND-UHFFFAOYSA-N 0 0 438.250 2.588 50 0 IFAARN CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 ZINC000006149654 556078306 /nfs/dbraw/zinc/07/83/06/556078306.db2.gz SBLIAQCSNVNLJH-HNNXBMFYSA-N 0 0 432.546 2.536 50 0 IFAARN COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCC(=O)NC(C)C)n2)cc1 ZINC000006190555 556080016 /nfs/dbraw/zinc/08/00/16/556080016.db2.gz QSVIUEFRVXQVRC-UHFFFAOYSA-N 0 0 431.436 2.859 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCCSc1ccccn1)c1ccccc1Br ZINC000006348555 556085534 /nfs/dbraw/zinc/08/55/34/556085534.db2.gz NHUABDFXYRQHJS-UHFFFAOYSA-N 0 0 444.376 2.519 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000006353905 556085636 /nfs/dbraw/zinc/08/56/36/556085636.db2.gz VWSRTAMLXLLJBF-XGHXRCDJSA-N 0 0 439.924 2.847 50 0 IFAARN CCOC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@H]1c1ccccc1Cl ZINC000006544913 556093935 /nfs/dbraw/zinc/09/39/35/556093935.db2.gz MEEYKWWKAAHSRV-ZWNOBZJWSA-N 0 0 436.917 2.909 50 0 IFAARN Cc1cc(O[C@@H](C)C(=O)NCCCN2CCCC2=O)c2c(c1)oc(=O)c1c2CCCC1 ZINC000006660022 556100546 /nfs/dbraw/zinc/10/05/46/556100546.db2.gz HCINKRVEEMPDML-INIZCTEOSA-N 0 0 426.513 2.876 50 0 IFAARN C[C@H](OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000018591409 556102569 /nfs/dbraw/zinc/10/25/69/556102569.db2.gz SNDQNDAPQKLSKU-AWEZNQCLSA-N 0 0 428.872 2.851 50 0 IFAARN COC(=O)COc1cccc2c1ccn(CC(=O)Nc1cc(Cl)ccc1OC)c2=O ZINC000002712392 556125637 /nfs/dbraw/zinc/12/56/37/556125637.db2.gz QWFDSJAVIRIFTG-UHFFFAOYSA-N 0 0 430.844 2.854 50 0 IFAARN CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)NC[C@@H]2CCCO2)CCS3)cc1 ZINC000002719894 556126232 /nfs/dbraw/zinc/12/62/32/556126232.db2.gz VHZQGSWRZPLMLT-INIZCTEOSA-N 0 0 447.582 2.667 50 0 IFAARN CCOC(=O)c1sc(NC(=O)COc2c(F)c(F)cc(F)c2F)c(C(N)=O)c1C ZINC000002747962 556136603 /nfs/dbraw/zinc/13/66/03/556136603.db2.gz GBVAQFXXLMGZGA-UHFFFAOYSA-N 0 0 434.367 2.906 50 0 IFAARN Cc1c(Br)cnn1CC(=O)Nn1c(C)nc2sc3c(c2c1=O)CCCC3 ZINC000002779255 556141357 /nfs/dbraw/zinc/14/13/57/556141357.db2.gz YGXZOTWNWOIFBX-UHFFFAOYSA-N 0 0 436.335 2.683 50 0 IFAARN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000097379374 556143896 /nfs/dbraw/zinc/14/38/96/556143896.db2.gz YSYCZKXMHKCAJO-OLZOCXBDSA-N 0 0 442.891 2.532 50 0 IFAARN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000097379372 556144030 /nfs/dbraw/zinc/14/40/30/556144030.db2.gz YSYCZKXMHKCAJO-STQMWFEESA-N 0 0 442.891 2.532 50 0 IFAARN CCn1cc(NC(=O)c2c(Br)cnn2CC)c(C(=O)NCc2ccco2)n1 ZINC000002793315 556144606 /nfs/dbraw/zinc/14/46/06/556144606.db2.gz ZCVDIFWXESWKET-UHFFFAOYSA-N 0 0 435.282 2.657 50 0 IFAARN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000016518276 556150987 /nfs/dbraw/zinc/15/09/87/556150987.db2.gz GHEAKICNCILMSU-AWEZNQCLSA-N 0 0 432.933 2.644 50 0 IFAARN CCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(Br)cc3)c2=O)cc1 ZINC000002973210 556152512 /nfs/dbraw/zinc/15/25/12/556152512.db2.gz HGBCGSPVLLJWPW-UHFFFAOYSA-N 0 0 430.258 2.939 50 0 IFAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1ccc2c(c1)OCO2 ZINC000003009019 556155109 /nfs/dbraw/zinc/15/51/09/556155109.db2.gz JCCASCYVNMYZEO-UHFFFAOYSA-N 0 0 431.857 2.935 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 ZINC000008396962 556163912 /nfs/dbraw/zinc/16/39/12/556163912.db2.gz TYSZFCDLWPQZGS-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1cccs1 ZINC000008425300 556168253 /nfs/dbraw/zinc/16/82/53/556168253.db2.gz APNHBUKSBRIQBQ-FYXHJSOBSA-N 0 0 428.510 2.999 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008432639 556171797 /nfs/dbraw/zinc/17/17/97/556171797.db2.gz LSQBWNAZHMKJMI-GTENMVSRSA-N 0 0 426.469 2.839 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000003055682 556177404 /nfs/dbraw/zinc/17/74/04/556177404.db2.gz QGWVFRIJABOFLO-UHFFFAOYSA-N 0 0 425.441 2.583 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2cccs2)c(=O)c2cccnc21 ZINC000008604749 556191344 /nfs/dbraw/zinc/19/13/44/556191344.db2.gz IGGGQEGSURSXLO-UHFFFAOYSA-N 0 0 436.493 2.705 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c2ncccc2c(=O)n(Cc2ccccc2)c1=O ZINC000008604861 556191663 /nfs/dbraw/zinc/19/16/63/556191663.db2.gz DORCOEFMZVZFDS-UHFFFAOYSA-N 0 0 430.464 2.644 50 0 IFAARN O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)C1=Cc2cc(Cl)ccc2OC1 ZINC000008616770 556192865 /nfs/dbraw/zinc/19/28/65/556192865.db2.gz XQOPCZZSPJZGMD-UHFFFAOYSA-N 0 0 427.309 2.864 50 0 IFAARN COc1ccc(-c2nnn(C3CCN(C(=S)NCc4ccco4)CC3)n2)cc1OC ZINC000008694569 556200754 /nfs/dbraw/zinc/20/07/54/556200754.db2.gz RECYLRVYEOGFAE-UHFFFAOYSA-N 0 0 428.518 2.662 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn32)c1 ZINC000008744999 556208785 /nfs/dbraw/zinc/20/87/85/556208785.db2.gz GOIBPXPTXXYHAD-GOSISDBHSA-N 0 0 427.530 2.737 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008816421 556217769 /nfs/dbraw/zinc/21/77/69/556217769.db2.gz PKEUQUHRXPPKDP-HNNXBMFYSA-N 0 0 431.489 2.602 50 0 IFAARN CCOc1ccc(CN2c3ccccc3[C@]3(SC(NC(C)=O)=NN3C(C)=O)C2=O)cc1 ZINC000008843718 556226687 /nfs/dbraw/zinc/22/66/87/556226687.db2.gz WMSLQGPXOIKTDN-QFIPXVFZSA-N 0 0 438.509 2.787 50 0 IFAARN Cc1ccc2oc3c(c(=O)c2c1)[C@]1(c2ccccc2N(C)C1=O)N(C[C@H]1CCCO1)C3=O ZINC000008917026 556232830 /nfs/dbraw/zinc/23/28/30/556232830.db2.gz MJJXOFCZCPJQMF-BZQUYTCOSA-N 0 0 430.460 2.956 50 0 IFAARN O=C(CCC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)NCc1ccco1 ZINC000008921626 556233355 /nfs/dbraw/zinc/23/33/55/556233355.db2.gz FRAIEQPBBJFJTO-UHFFFAOYSA-N 0 0 425.393 2.914 50 0 IFAARN Cc1c(C)n(-c2cccnc2)c2ncn3nc(CCN4C(=O)c5ccccc5C4=O)nc3c12 ZINC000009061095 556244155 /nfs/dbraw/zinc/24/41/55/556244155.db2.gz MPLIYJLPMOOGME-UHFFFAOYSA-N 0 0 437.463 2.919 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NC3CCCC3)CC2=O)cc1 ZINC000009095631 556246765 /nfs/dbraw/zinc/24/67/65/556246765.db2.gz VGIQLEDYAWJERS-QGZVFWFLSA-N 0 0 435.590 2.909 50 0 IFAARN COC(=O)COc1c(Cl)cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc1OC ZINC000009096114 556247038 /nfs/dbraw/zinc/24/70/38/556247038.db2.gz IUKVXOJSVKRJDB-UHFFFAOYSA-N 0 0 436.852 2.555 50 0 IFAARN CCOC(=O)c1cnc(SCC(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)nc1N ZINC000009184963 556250616 /nfs/dbraw/zinc/25/06/16/556250616.db2.gz SBERRBCUQFXKBK-UHFFFAOYSA-N 0 0 438.893 2.796 50 0 IFAARN O=C(NCCCn1ccnc1)c1cc2c(nc3ccccn3c2=O)n1Cc1ccccc1 ZINC000009187568 556250861 /nfs/dbraw/zinc/25/08/61/556250861.db2.gz LLNRXBXSWCEJRV-UHFFFAOYSA-N 0 0 426.480 2.714 50 0 IFAARN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000009191167 556253859 /nfs/dbraw/zinc/25/38/59/556253859.db2.gz HAQUIHMLJIJNFQ-CVEARBPZSA-N 0 0 445.541 2.764 50 0 IFAARN CCOC(=O)Cn1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c2ccccc21 ZINC000009259533 556267801 /nfs/dbraw/zinc/26/78/01/556267801.db2.gz FXFHSXNAKXRCAF-WOJGMQOQSA-N 0 0 441.509 2.863 50 0 IFAARN COC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000009260609 556268418 /nfs/dbraw/zinc/26/84/18/556268418.db2.gz XNXLWTPYOUINDH-CXUHLZMHSA-N 0 0 430.844 2.993 50 0 IFAARN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000009288713 556273411 /nfs/dbraw/zinc/27/34/11/556273411.db2.gz ISLQNCGHQVXTFC-HUUCEWRRSA-N 0 0 433.505 2.894 50 0 IFAARN O=C(CN1CCN(C(=O)CCn2ccc3ccc(Br)cc32)CC1)N1CCCC1 ZINC000013690895 556280394 /nfs/dbraw/zinc/28/03/94/556280394.db2.gz UJTSBUJEFHETBA-UHFFFAOYSA-N 0 0 447.377 2.561 50 0 IFAARN COc1ccc(CNC(=O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)cc1OC ZINC000009321131 556280741 /nfs/dbraw/zinc/28/07/41/556280741.db2.gz RDHMVIGMWJMLAO-UHFFFAOYSA-N 0 0 432.480 2.805 50 0 IFAARN Cn1c(CNC(=O)[C@H]2CCCO2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000013691550 556280978 /nfs/dbraw/zinc/28/09/78/556280978.db2.gz FAFLSWHBOKTDNX-GOSISDBHSA-N 0 0 448.932 2.823 50 0 IFAARN CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)C1=O ZINC000013692104 556281735 /nfs/dbraw/zinc/28/17/35/556281735.db2.gz LQXUCEXXGBMTCN-UHFFFAOYSA-N 0 0 428.919 2.843 50 0 IFAARN COc1ccc(CNC(=O)Cn2ccn3nc(-c4ccc(OC)c(OC)c4)cc3c2=O)cc1 ZINC000009327542 556282080 /nfs/dbraw/zinc/28/20/80/556282080.db2.gz YBQNBOZRTNGMAF-UHFFFAOYSA-N 0 0 448.479 2.505 50 0 IFAARN O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccc3c(c2)OCCO3)N1Cc1cccnc1 ZINC000013692330 556282075 /nfs/dbraw/zinc/28/20/75/556282075.db2.gz XVEUBSIQROLBBH-CVDCTZTESA-N 0 0 438.505 2.702 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)ccn3n2)cc1OC ZINC000009327527 556282089 /nfs/dbraw/zinc/28/20/89/556282089.db2.gz WBVYMKUIAZBHAM-UHFFFAOYSA-N 0 0 448.435 2.548 50 0 IFAARN CC(=O)Oc1ccc2nc(-c3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)oc(=O)c2c1 ZINC000009379711 556286779 /nfs/dbraw/zinc/28/67/79/556286779.db2.gz RKNLKUQFMFAGRL-HNNXBMFYSA-N 0 0 434.404 2.555 50 0 IFAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000009428058 556290855 /nfs/dbraw/zinc/29/08/55/556290855.db2.gz XKUGEQDQNWKNQQ-CQSZACIVSA-N 0 0 436.530 2.935 50 0 IFAARN CCc1ccc([C@@H]2C(C(=O)OCCOC)C(C)=Nc3nc(SCC(=O)OC)nn32)cc1 ZINC000009427251 556290898 /nfs/dbraw/zinc/29/08/98/556290898.db2.gz PBIAKSRECAGQCC-GOSISDBHSA-N 0 0 446.529 2.584 50 0 IFAARN COc1cccc(-c2noc(CN3C(=O)N[C@@](C)(Cc4ccc5c(c4)OCO5)C3=O)n2)c1 ZINC000032731801 556305191 /nfs/dbraw/zinc/30/51/91/556305191.db2.gz LDVLECYUDGLOOZ-QFIPXVFZSA-N 0 0 436.424 2.527 50 0 IFAARN CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)cc1 ZINC000009677881 556305770 /nfs/dbraw/zinc/30/57/70/556305770.db2.gz KPNMPSSOCNAMBK-UHFFFAOYSA-N 0 0 444.879 2.812 50 0 IFAARN COc1cn(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032736710 556306974 /nfs/dbraw/zinc/30/69/74/556306974.db2.gz FLJFUHOPKKKNAG-AWEZNQCLSA-N 0 0 443.481 2.681 50 0 IFAARN COCCNS(=O)(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)cc1C ZINC000009722436 556307573 /nfs/dbraw/zinc/30/75/73/556307573.db2.gz FVAGPFMVKUQKIW-UHFFFAOYSA-N 0 0 446.978 2.707 50 0 IFAARN CCC(C)(C)NC(=O)Cn1c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2oc1=O ZINC000009830821 556311949 /nfs/dbraw/zinc/31/19/49/556311949.db2.gz MZVMMGDCSUTTRB-GJZGRUSLSA-N 0 0 437.562 2.566 50 0 IFAARN COc1ccccc1Cn1c(=O)c2cccnc2n(CC(=O)Nc2cccc(C)c2)c1=O ZINC000009831033 556312321 /nfs/dbraw/zinc/31/23/21/556312321.db2.gz YWCVCKGNRBINIT-UHFFFAOYSA-N 0 0 430.464 2.562 50 0 IFAARN COc1cccc(C2=NO[C@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1OC ZINC000009856690 556314230 /nfs/dbraw/zinc/31/42/30/556314230.db2.gz VIOKMTRJGUQSAT-IBGZPJMESA-N 0 0 436.468 2.633 50 0 IFAARN Cc1sc2nc(CN3CCOCC3)n(CC(=O)Nc3ccc(C)cc3)c(=O)c2c1C ZINC000032747284 556315618 /nfs/dbraw/zinc/31/56/18/556315618.db2.gz RYRBXKNESZQFEF-UHFFFAOYSA-N 0 0 426.542 2.854 50 0 IFAARN CCc1ccc(NC(=O)NCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000065029847 556315652 /nfs/dbraw/zinc/31/56/52/556315652.db2.gz ACCOQKUZZKEWCU-UHFFFAOYSA-N 0 0 442.545 2.600 50 0 IFAARN CCOc1cc2c(cc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)O[C@H](C)C2 ZINC000032748140 556316964 /nfs/dbraw/zinc/31/69/64/556316964.db2.gz RRMLMNFMVQUANM-CVEARBPZSA-N 0 0 432.542 2.700 50 0 IFAARN COc1ccccc1CNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000013843961 556318492 /nfs/dbraw/zinc/31/84/92/556318492.db2.gz JUBWFNLEOXCVFF-NRFANRHFSA-N 0 0 449.551 2.912 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000013844472 556318505 /nfs/dbraw/zinc/31/85/05/556318505.db2.gz XBRVTXXFOYONKV-PEJPJJPESA-N 0 0 430.482 2.525 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000032755319 556324683 /nfs/dbraw/zinc/32/46/83/556324683.db2.gz KSMXVMKUYWIJNX-JOCHJYFZSA-N 0 0 426.538 2.842 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000013893051 556327301 /nfs/dbraw/zinc/32/73/01/556327301.db2.gz FYNBYTRDJAHOBT-UHFFFAOYSA-N 0 0 430.526 2.684 50 0 IFAARN Cc1nn(C[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1C ZINC000010233300 556328236 /nfs/dbraw/zinc/32/82/36/556328236.db2.gz ODYWKMXNEFCXFL-KRWDZBQOSA-N 0 0 432.590 2.594 50 0 IFAARN Cc1nn([C@@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(C)c1Cl ZINC000010233283 556328242 /nfs/dbraw/zinc/32/82/42/556328242.db2.gz AOBAPUJDCGUCGA-HNNXBMFYSA-N 0 0 438.981 2.946 50 0 IFAARN Cc1nn(C[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1C ZINC000010233301 556328263 /nfs/dbraw/zinc/32/82/63/556328263.db2.gz ODYWKMXNEFCXFL-QGZVFWFLSA-N 0 0 432.590 2.594 50 0 IFAARN COc1cccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc(OC)cc2OC)n2nnnc2N3)c1 ZINC000010296941 556329707 /nfs/dbraw/zinc/32/97/07/556329707.db2.gz SBKUGGXSVAFSTP-IBGZPJMESA-N 0 0 433.428 2.556 50 0 IFAARN COc1cccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc(OC)c(OC)c2)n2nnnc2N3)c1 ZINC000010296933 556329730 /nfs/dbraw/zinc/32/97/30/556329730.db2.gz ATJPIKJRFUIOEG-IBGZPJMESA-N 0 0 433.428 2.556 50 0 IFAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc(OC)cc2OC)n2nnnc2N3)cc1 ZINC000010295506 556329750 /nfs/dbraw/zinc/32/97/50/556329750.db2.gz QUEXYFBMOCMKFY-LJQANCHMSA-N 0 0 433.428 2.556 50 0 IFAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000032777601 556330500 /nfs/dbraw/zinc/33/05/00/556330500.db2.gz ZJYZOUZYDDTQEK-OAQYLSRUSA-N 0 0 439.443 2.952 50 0 IFAARN CCSc1nnc(NC(=O)[C@@H]2CCCCN2C2=NS(=O)(=O)c3ccccc32)s1 ZINC000032777937 556331271 /nfs/dbraw/zinc/33/12/71/556331271.db2.gz NNTJSPCVBUGYQC-LBPRGKRZSA-N 0 0 437.572 2.592 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCc1cccnc1-n1ccnc1 ZINC000032778160 556331613 /nfs/dbraw/zinc/33/16/13/556331613.db2.gz XFLBVVCCOGZTKY-UHFFFAOYSA-N 0 0 444.421 2.590 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000032764460 556331659 /nfs/dbraw/zinc/33/16/59/556331659.db2.gz GRMSYHHWYBBLCF-CQSZACIVSA-N 0 0 448.317 2.958 50 0 IFAARN CNC(=O)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc2O1 ZINC000032772539 556335660 /nfs/dbraw/zinc/33/56/60/556335660.db2.gz GDTDJMBHYTVDPF-FQEVSTJZSA-N 0 0 441.915 2.732 50 0 IFAARN CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(Br)s1 ZINC000008694314 556340668 /nfs/dbraw/zinc/34/06/68/556340668.db2.gz FGLPPEJNDKWGHU-WBOJAVRRSA-N 0 0 433.320 2.677 50 0 IFAARN CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(OC)cc34)C2)s1 ZINC000013944698 556342077 /nfs/dbraw/zinc/34/20/77/556342077.db2.gz ALDHYAJKZWULKI-AWEZNQCLSA-N 0 0 443.529 2.594 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccc(C)c(F)c2F)cc1C ZINC000011662675 556343935 /nfs/dbraw/zinc/34/39/35/556343935.db2.gz OYRBVRAVWYBJHW-SFHVURJKSA-N 0 0 431.483 2.597 50 0 IFAARN CCN1C[C@@H](CN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)Oc2ccccc21 ZINC000032781125 556347351 /nfs/dbraw/zinc/34/73/51/556347351.db2.gz USBOEHYPCOAOKW-GOSISDBHSA-N 0 0 431.558 2.733 50 0 IFAARN CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cccc3cnccc32)cc1 ZINC000011771803 556350156 /nfs/dbraw/zinc/35/01/56/556350156.db2.gz YTCRUJAFXMKRHY-DEOSSOPVSA-N 0 0 446.551 2.983 50 0 IFAARN CN(Cc1nccn1C)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O ZINC000011785048 556352748 /nfs/dbraw/zinc/35/27/48/556352748.db2.gz APFICQIPOXPHBZ-HSZRJFAPSA-N 0 0 426.492 2.547 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccco2)c1=O ZINC000013992237 556352844 /nfs/dbraw/zinc/35/28/44/556352844.db2.gz SVXXPRZBLDRUMW-SFHVURJKSA-N 0 0 431.492 2.942 50 0 IFAARN COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O ZINC000013992286 556352878 /nfs/dbraw/zinc/35/28/78/556352878.db2.gz IIFGNXFYLLLEAR-UHFFFAOYSA-N 0 0 431.876 2.500 50 0 IFAARN CC[C@H](O)CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2nc(C)n(CC)c21 ZINC000011785331 556353183 /nfs/dbraw/zinc/35/31/83/556353183.db2.gz UGPJLHOLTGKYKO-INIZCTEOSA-N 0 0 430.530 2.666 50 0 IFAARN O=C(Cn1cc(NC(=O)c2ccccc2F)cn1)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000011785878 556353203 /nfs/dbraw/zinc/35/32/03/556353203.db2.gz VPOOHZPCKMMSQU-IBGZPJMESA-N 0 0 437.475 2.877 50 0 IFAARN O=C(Cn1cc(NC(=O)c2ccccc2F)cn1)N1CCC[C@H](OCc2ccccn2)C1 ZINC000011785497 556353220 /nfs/dbraw/zinc/35/32/20/556353220.db2.gz XWMFMZIQIBHBHS-IBGZPJMESA-N 0 0 437.475 2.877 50 0 IFAARN CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000011787993 556354154 /nfs/dbraw/zinc/35/41/54/556354154.db2.gz NDZIEFXQHJIOQC-KRWDZBQOSA-N 0 0 433.940 2.942 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)c1ccnc(Cl)c1)CC2 ZINC000011788578 556354581 /nfs/dbraw/zinc/35/45/81/556354581.db2.gz KOTMNNFDENBXOD-GOSISDBHSA-N 0 0 442.907 2.745 50 0 IFAARN COC(=O)CNC(=O)c1cc(NC(=O)CC2CCCC2)cc2nc([C@H]3CCCO3)n(C)c21 ZINC000011789457 556355018 /nfs/dbraw/zinc/35/50/18/556355018.db2.gz ICPBRHDQLPAXRG-GOSISDBHSA-N 0 0 442.516 2.846 50 0 IFAARN O=C([C@H](c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCCC1 ZINC000014014253 556355182 /nfs/dbraw/zinc/35/51/82/556355182.db2.gz SNTKPOCSXGTANN-NRFANRHFSA-N 0 0 449.523 2.635 50 0 IFAARN COC(=O)c1cccc(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)[C@H](C)NC(C)=O)C3)c1 ZINC000011813615 556357295 /nfs/dbraw/zinc/35/72/95/556357295.db2.gz KAFNQUVLQFHWAI-SGTLLEGYSA-N 0 0 430.888 2.738 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCN(c2ccccc2O)CC1 ZINC000032795520 556357880 /nfs/dbraw/zinc/35/78/80/556357880.db2.gz DAUNNECXUYYUOH-OAHLLOKOSA-N 0 0 444.329 2.856 50 0 IFAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCN(C)C[C@@H]2C(C)C)c1 ZINC000011816228 556358731 /nfs/dbraw/zinc/35/87/31/556358731.db2.gz ZSTRAYGVVFPMEB-JOCHJYFZSA-N 0 0 443.588 2.887 50 0 IFAARN CSc1ncc(CN2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc43)C2)cn1 ZINC000011816734 556359598 /nfs/dbraw/zinc/35/95/98/556359598.db2.gz ZOBAVGHJBWXCPZ-INIZCTEOSA-N 0 0 443.598 2.937 50 0 IFAARN CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1 ZINC000011817963 556360496 /nfs/dbraw/zinc/36/04/96/556360496.db2.gz PBIVLDKADGOLPZ-LJQANCHMSA-N 0 0 434.544 2.546 50 0 IFAARN CCN(C(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000032797215 556363460 /nfs/dbraw/zinc/36/34/60/556363460.db2.gz JACBJQUJVSKVKD-WBVHZDCISA-N 0 0 435.615 2.900 50 0 IFAARN CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000014083775 556363635 /nfs/dbraw/zinc/36/36/35/556363635.db2.gz LRWFBKKMDUFHEA-INIZCTEOSA-N 0 0 440.550 2.868 50 0 IFAARN O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000014084237 556364056 /nfs/dbraw/zinc/36/40/56/556364056.db2.gz YXBWFUPRTVPTRE-KRWDZBQOSA-N 0 0 443.525 2.523 50 0 IFAARN Cc1ncc2c(c1CNC(=O)Cn1ccnc1)CCN(C(=O)/C(F)=C/c1ccccc1)C2 ZINC000011839732 556364142 /nfs/dbraw/zinc/36/41/42/556364142.db2.gz RQBGIQDEFIDIBU-JJFYIABZSA-N 0 0 433.487 2.798 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000032803088 556365456 /nfs/dbraw/zinc/36/54/56/556365456.db2.gz VGPNZOUOHADIAO-NRFANRHFSA-N 0 0 447.557 2.741 50 0 IFAARN O=C(c1c[nH]nc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000014094271 556366217 /nfs/dbraw/zinc/36/62/17/556366217.db2.gz YRXSUTOJPAGGSX-UHFFFAOYSA-N 0 0 436.946 2.938 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4nnco4)cc3)CC2)cc1C ZINC000014095314 556367241 /nfs/dbraw/zinc/36/72/41/556367241.db2.gz WHCBJXCCDRIJLU-UHFFFAOYSA-N 0 0 426.498 2.500 50 0 IFAARN CN(Cc1cnn(C)c1)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O ZINC000011870711 556368603 /nfs/dbraw/zinc/36/86/03/556368603.db2.gz UCNNNWNPTJPZLP-OAQYLSRUSA-N 0 0 448.445 2.647 50 0 IFAARN CC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000014109982 556369099 /nfs/dbraw/zinc/36/90/99/556369099.db2.gz MMSMOIIGHAFRQF-UHFFFAOYSA-N 0 0 428.558 2.673 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 ZINC000014114214 556370551 /nfs/dbraw/zinc/37/05/51/556370551.db2.gz ILEHBBBXRRHASH-UHFFFAOYSA-N 0 0 442.537 2.853 50 0 IFAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1nc(Cl)ccc1Cl ZINC000014122212 556372633 /nfs/dbraw/zinc/37/26/33/556372633.db2.gz YEZHFCDEQXADIN-UHFFFAOYSA-N 0 0 434.276 2.801 50 0 IFAARN COc1ccc2cc(CN(C)C(=O)CSc3nnnn3C[C@@H]3CCCO3)ccc2c1 ZINC000014129395 556374445 /nfs/dbraw/zinc/37/44/45/556374445.db2.gz GUZTTYZGTHGVCZ-IBGZPJMESA-N 0 0 427.530 2.765 50 0 IFAARN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)N2CCOCC2)cc1 ZINC000014158493 556377822 /nfs/dbraw/zinc/37/78/22/556377822.db2.gz MONZIPCXPYLJQP-IBGZPJMESA-N 0 0 427.526 2.543 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000014158006 556377893 /nfs/dbraw/zinc/37/78/93/556377893.db2.gz MSBPRXTYZPZWFX-UHFFFAOYSA-N 0 0 433.892 2.891 50 0 IFAARN O=C(c1cc2ccccc2oc1=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000014161487 556378678 /nfs/dbraw/zinc/37/86/78/556378678.db2.gz YMVKXLSTWRZNLA-UHFFFAOYSA-N 0 0 438.914 2.655 50 0 IFAARN COc1cc(C(=O)N(Cc2cnn(C)c2)C(C)C)ccc1OC1CCN(C(C)=O)CC1 ZINC000011951235 556380342 /nfs/dbraw/zinc/38/03/42/556380342.db2.gz AMCNJVNCOTUNJZ-UHFFFAOYSA-N 0 0 428.533 2.869 50 0 IFAARN O=C(C[C@@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)N1CCCC[C@@H]1CO ZINC000011964334 556381407 /nfs/dbraw/zinc/38/14/07/556381407.db2.gz STAHAKFEWOPUFQ-JPYJTQIMSA-N 0 0 426.538 2.709 50 0 IFAARN CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1Cc2cc(F)cc(-c3nc(C)cnc3C)c2O1 ZINC000011965114 556381846 /nfs/dbraw/zinc/38/18/46/556381846.db2.gz SHHATJWGGUPJIA-QUCCMNQESA-N 0 0 428.508 2.870 50 0 IFAARN Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1ccc(F)cc1F)CC2 ZINC000011971871 556382418 /nfs/dbraw/zinc/38/24/18/556382418.db2.gz LKDXZCRDZQEJQG-YXMMZVCTSA-N 0 0 430.455 2.957 50 0 IFAARN COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3Br)CC2)cc1 ZINC000014184203 556384134 /nfs/dbraw/zinc/38/41/34/556384134.db2.gz YCTWREWDEAVWCM-UHFFFAOYSA-N 0 0 425.348 2.964 50 0 IFAARN COC(=O)[C@@H]1CCCCN1Cc1nc2c(C)cccc2c(N2CCCN(C(C)=O)CC2)n1 ZINC000011998254 556384912 /nfs/dbraw/zinc/38/49/12/556384912.db2.gz WTTKFZQKQFUIQV-FQEVSTJZSA-N 0 0 439.560 2.524 50 0 IFAARN CC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2OC)CC(=O)N(CCCOC)C1=O ZINC000012000659 556385543 /nfs/dbraw/zinc/38/55/43/556385543.db2.gz YEQYZZPRZUNBOR-UUOWRZLLSA-N 0 0 430.545 2.910 50 0 IFAARN Cc1cccc2c(=O)n(CC(=O)Nc3cc4c(cc3Br)OCCO4)cnc12 ZINC000014197487 556389186 /nfs/dbraw/zinc/38/91/86/556389186.db2.gz DWNXYMKOKRQGJS-UHFFFAOYSA-N 0 0 430.258 2.877 50 0 IFAARN COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C/C=C/c1ccc(OC)cc1)CC2 ZINC000012034467 556389219 /nfs/dbraw/zinc/38/92/19/556389219.db2.gz TWKDMDRFLQEBCD-LYSGITKLSA-N 0 0 441.576 2.708 50 0 IFAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N1CC=C(c2ccccc2)CC1 ZINC000014198300 556389666 /nfs/dbraw/zinc/38/96/66/556389666.db2.gz MDADVQFHDDOACB-QFIPXVFZSA-N 0 0 428.492 2.947 50 0 IFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000014201351 556391776 /nfs/dbraw/zinc/39/17/76/556391776.db2.gz UULGVLYMBAJSNG-QFIPXVFZSA-N 0 0 440.503 2.923 50 0 IFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000032809396 556394097 /nfs/dbraw/zinc/39/40/97/556394097.db2.gz IKGQDVYUSWXRCM-YADHBBJMSA-N 0 0 434.496 2.971 50 0 IFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000014228372 556395702 /nfs/dbraw/zinc/39/57/02/556395702.db2.gz RYRSCDMUCJJCBW-UHFFFAOYSA-N 0 0 436.537 2.910 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1C ZINC000014229121 556396447 /nfs/dbraw/zinc/39/64/47/556396447.db2.gz VAJGAVZETYAXMX-OAHLLOKOSA-N 0 0 436.464 2.901 50 0 IFAARN O=C(c1ccccc1SCc1cccs1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000014229903 556396664 /nfs/dbraw/zinc/39/66/64/556396664.db2.gz LLCFOCYTISFZCD-INIZCTEOSA-N 0 0 436.624 2.985 50 0 IFAARN COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1OC ZINC000014230858 556397519 /nfs/dbraw/zinc/39/75/19/556397519.db2.gz UDHIDSZWVDAVFQ-UHFFFAOYSA-N 0 0 428.510 2.794 50 0 IFAARN O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000014231285 556397871 /nfs/dbraw/zinc/39/78/71/556397871.db2.gz WTTRJKFXNXCTGU-IBGZPJMESA-N 0 0 438.908 2.706 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 ZINC000014240438 556400946 /nfs/dbraw/zinc/40/09/46/556400946.db2.gz WKFXKUJMNHNPAM-ZDUSSCGKSA-N 0 0 441.509 2.583 50 0 IFAARN COC(=O)c1c2c(sc1S(=O)(=O)NCc1ccccc1)CN(C(=O)CC1CC1)CC2 ZINC000012211913 556403089 /nfs/dbraw/zinc/40/30/89/556403089.db2.gz JVRWBJFVWZTZDE-UHFFFAOYSA-N 0 0 448.566 2.698 50 0 IFAARN CCc1ccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)coc2c1 ZINC000014242679 556403222 /nfs/dbraw/zinc/40/32/22/556403222.db2.gz SMKGUUMPZABWIM-UHFFFAOYSA-N 0 0 442.537 2.875 50 0 IFAARN Cc1ccc(NC(=O)CN2CCN(CC(=O)N(C)Cc3cccc(Cl)c3)CC2)cc1 ZINC000022929809 556403682 /nfs/dbraw/zinc/40/36/82/556403682.db2.gz NNKNMBQVLGKFGW-UHFFFAOYSA-N 0 0 428.964 2.863 50 0 IFAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)O[C@H](C)C(=O)Nc1ncnc2[nH]cnc21 ZINC000014244154 556403739 /nfs/dbraw/zinc/40/37/39/556403739.db2.gz KYAWRBDNWQAKMB-LLVKDONJSA-N 0 0 434.460 2.740 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000014244329 556404245 /nfs/dbraw/zinc/40/42/45/556404245.db2.gz RMBVVXOYFJQFJD-UHFFFAOYSA-N 0 0 446.554 2.572 50 0 IFAARN Nc1nc(COC(=O)CCS(=O)(=O)c2ccccc2)nc(Nc2ccc(Cl)cc2)n1 ZINC000014244995 556404777 /nfs/dbraw/zinc/40/47/77/556404777.db2.gz GCOOIXGCTVXNIH-UHFFFAOYSA-N 0 0 447.904 2.758 50 0 IFAARN NC(=O)N[C@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 ZINC000014246268 556406243 /nfs/dbraw/zinc/40/62/43/556406243.db2.gz OBUKPWMYXHYITL-HNNXBMFYSA-N 0 0 441.841 2.812 50 0 IFAARN COc1ccc(C(=O)OCc2nc(-c3ccsc3)no2)cc1S(=O)(=O)N1CCCC1 ZINC000014246872 556406865 /nfs/dbraw/zinc/40/68/65/556406865.db2.gz YBCKYMBQUZXMHT-UHFFFAOYSA-N 0 0 449.510 2.948 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)CC1 ZINC000014247850 556407467 /nfs/dbraw/zinc/40/74/67/556407467.db2.gz TVNHYDMPLKGGJT-CYBMUJFWSA-N 0 0 438.481 2.742 50 0 IFAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)[C@@]23CCC(=O)N2CCS3)cs1 ZINC000014250564 556408852 /nfs/dbraw/zinc/40/88/52/556408852.db2.gz JSAGYNXOJUMSMW-FQEVSTJZSA-N 0 0 447.538 2.945 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)ccc1Br ZINC000014254863 556410343 /nfs/dbraw/zinc/41/03/43/556410343.db2.gz CATPWWBEBDNSPW-UHFFFAOYSA-N 0 0 430.368 2.670 50 0 IFAARN COc1ccc(CC[C@@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000014254374 556410369 /nfs/dbraw/zinc/41/03/69/556410369.db2.gz UDGFTCCKHILLQE-LFVRLGFBSA-N 0 0 439.468 2.694 50 0 IFAARN CCCCn1c2nn(Cc3ccc(N4CCCC4=O)cc3)c(=O)n2c2ccsc2c1=O ZINC000097829106 556415398 /nfs/dbraw/zinc/41/53/98/556415398.db2.gz OZACOCXWGLLFPO-UHFFFAOYSA-N 0 0 437.525 2.848 50 0 IFAARN CCCNC(=O)[C@H]1CN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc2O1 ZINC000032678564 556416035 /nfs/dbraw/zinc/41/60/35/556416035.db2.gz GVLZTTFCNMKQRR-JOCHJYFZSA-N 0 0 448.523 2.724 50 0 IFAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1N1CC[NH+](CC)CC1 ZINC000032679027 556416201 /nfs/dbraw/zinc/41/62/01/556416201.db2.gz NPEZOSPJTCXTOI-UHFFFAOYSA-N 0 0 446.573 2.986 50 0 IFAARN COc1cn(-c2ccccc2)nc1C(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000032830203 556416647 /nfs/dbraw/zinc/41/66/47/556416647.db2.gz SEAYPDDQEIUPIL-UHFFFAOYSA-N 0 0 435.419 2.888 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000032830881 556417060 /nfs/dbraw/zinc/41/70/60/556417060.db2.gz DLSNKQPISXKVSW-CQSZACIVSA-N 0 0 430.505 2.966 50 0 IFAARN COc1cccc([C@]2(C)NC(=O)N(C[C@@H](O)COc3ccc(Br)cc3)C2=O)c1 ZINC000012942726 556417388 /nfs/dbraw/zinc/41/73/88/556417388.db2.gz NBAASMAHDVNFBZ-QRWLVFNGSA-N 0 0 449.301 2.665 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)sc2c1 ZINC000014462629 556419377 /nfs/dbraw/zinc/41/93/77/556419377.db2.gz GJVRCSRXZGUPOV-CQSZACIVSA-N 0 0 429.523 2.687 50 0 IFAARN CCCCn1c(N)c(N(CC)C(=O)CSc2ccc(F)c(Cl)c2)c(=O)[nH]c1=O ZINC000012974039 556419959 /nfs/dbraw/zinc/41/99/59/556419959.db2.gz FPDOLZRFGBXFOM-UHFFFAOYSA-N 0 0 428.917 2.857 50 0 IFAARN COc1ccc(-c2nc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n[nH]2)cc1 ZINC000012975076 556420915 /nfs/dbraw/zinc/42/09/15/556420915.db2.gz LPNJAGHIDBFGLN-UHFFFAOYSA-N 0 0 427.486 2.517 50 0 IFAARN CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)c2cccc(-n3cccn3)c2)CC1=O ZINC000014532244 556420975 /nfs/dbraw/zinc/42/09/75/556420975.db2.gz JUKKEMHHCHPDLS-QHCPKHFHSA-N 0 0 447.539 2.793 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000012975631 556421420 /nfs/dbraw/zinc/42/14/20/556421420.db2.gz BQJPGOPKMLPBDR-UHFFFAOYSA-N 0 0 445.629 2.695 50 0 IFAARN COCc1ccc(C(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3ccccn3)C2)s1 ZINC000014532957 556421613 /nfs/dbraw/zinc/42/16/13/556421613.db2.gz WZERCZQXTVQRJF-SFHVURJKSA-N 0 0 431.558 2.815 50 0 IFAARN COc1cc(CO[C@H]2CN(C(=O)c3ccccc3)CC(=O)N(C(C)C)C2)cc(OC)c1 ZINC000014533164 556421910 /nfs/dbraw/zinc/42/19/10/556421910.db2.gz ZDXOWBIUZFFQCD-QFIPXVFZSA-N 0 0 426.513 2.982 50 0 IFAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@H](C)CC(C)(C)O)cnc2n1C[C@@H]1CCCO1 ZINC000014534484 556422473 /nfs/dbraw/zinc/42/24/73/556422473.db2.gz NOLFIUAUDLGUFS-CJNGLKHVSA-N 0 0 432.521 2.922 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000012977138 556422487 /nfs/dbraw/zinc/42/24/87/556422487.db2.gz IHTYPBTXJYSDDY-SFHVURJKSA-N 0 0 448.566 2.683 50 0 IFAARN CC[C@@H](C(=O)Nc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012978989 556423284 /nfs/dbraw/zinc/42/32/84/556423284.db2.gz JOPQHAKSDYGOQN-QFIPXVFZSA-N 0 0 427.570 2.899 50 0 IFAARN CC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1OCC(=O)N(C)C ZINC000059777171 556423814 /nfs/dbraw/zinc/42/38/14/556423814.db2.gz JDAZRFKTDQSEMA-SFHVURJKSA-N 0 0 436.512 2.590 50 0 IFAARN COc1cccc(CC(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3cccnc3)C2)c1 ZINC000014537865 556424010 /nfs/dbraw/zinc/42/40/10/556424010.db2.gz JWNIBVUTMVOBBH-QFIPXVFZSA-N 0 0 425.529 2.545 50 0 IFAARN CC(C)c1cc(C(=O)N2CC(=O)N(Cc3cccnc3)C[C@@H](OCc3ccccc3)C2)[nH]n1 ZINC000014538500 556424393 /nfs/dbraw/zinc/42/43/93/556424393.db2.gz FVNZQOCJZSKHTE-OAQYLSRUSA-N 0 0 447.539 2.998 50 0 IFAARN COc1ccc(C(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3cccc(OC)c3)C2)o1 ZINC000014541718 556425831 /nfs/dbraw/zinc/42/58/31/556425831.db2.gz SLGNIKAYYAKRPW-IBGZPJMESA-N 0 0 430.501 2.823 50 0 IFAARN CCOC(=O)c1nn(CCc2ccc(OC)cc2)c2c1CN(C(=O)c1cnc(C)cn1)CC2 ZINC000014542127 556426199 /nfs/dbraw/zinc/42/61/99/556426199.db2.gz JOZWWFXGIUCULH-UHFFFAOYSA-N 0 0 449.511 2.608 50 0 IFAARN CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012984952 556426187 /nfs/dbraw/zinc/42/61/87/556426187.db2.gz KJWAUGXMOMOLAX-UHFFFAOYSA-N 0 0 448.566 2.717 50 0 IFAARN CCn1nnc2cc(C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C[C@@H]3CCCO3)ccc21 ZINC000014572255 556426809 /nfs/dbraw/zinc/42/68/09/556426809.db2.gz URZHEQKAPFIMGG-INIZCTEOSA-N 0 0 432.484 2.509 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)C1 ZINC000032841555 556427158 /nfs/dbraw/zinc/42/71/58/556427158.db2.gz MHNAHWYHKNKBKA-AWEZNQCLSA-N 0 0 437.418 2.975 50 0 IFAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000032841634 556427348 /nfs/dbraw/zinc/42/73/48/556427348.db2.gz HTDVYJUULUYFHU-ZDUSSCGKSA-N 0 0 438.933 2.911 50 0 IFAARN Cc1nn(C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000012993722 556429711 /nfs/dbraw/zinc/42/97/11/556429711.db2.gz PIGDBQSEVXMLEC-UHFFFAOYSA-N 0 0 432.590 2.626 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1NC(C)=O ZINC000012994232 556430018 /nfs/dbraw/zinc/43/00/18/556430018.db2.gz KVRAJMRXNVYXBS-GOSISDBHSA-N 0 0 432.498 2.951 50 0 IFAARN Cc1ccccc1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012994880 556430242 /nfs/dbraw/zinc/43/02/42/556430242.db2.gz KZAHIOFJSIOZGV-UHFFFAOYSA-N 0 0 444.553 2.826 50 0 IFAARN O=C(COc1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000032854447 556432418 /nfs/dbraw/zinc/43/24/18/556432418.db2.gz VEWXJBPMBCXIKN-UHFFFAOYSA-N 0 0 442.459 2.758 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000013000045 556432811 /nfs/dbraw/zinc/43/28/11/556432811.db2.gz BPLHOOSCYCIZIK-DOTOQJQBSA-N 0 0 430.888 2.602 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCCOc1ccccc1 ZINC000013001047 556433140 /nfs/dbraw/zinc/43/31/40/556433140.db2.gz IBYZDWMHQPRVBF-UHFFFAOYSA-N 0 0 434.514 2.586 50 0 IFAARN Cc1cc(=O)oc2cc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)ccc12 ZINC000014722272 556435812 /nfs/dbraw/zinc/43/58/12/556435812.db2.gz WYKQUMDTJGQXDB-UHFFFAOYSA-N 0 0 429.450 2.675 50 0 IFAARN CC(C)CCNc1cc(C(=O)NCCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014732373 556437075 /nfs/dbraw/zinc/43/70/75/556437075.db2.gz LKQRCKNQALNSHR-UHFFFAOYSA-N 0 0 447.605 2.946 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O ZINC000013014305 556437103 /nfs/dbraw/zinc/43/71/03/556437103.db2.gz KPOPINVAIQZROL-HXUWFJFHSA-N 0 0 433.823 2.656 50 0 IFAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)Cn3cnc4ccccc4c3=O)n2)cc1 ZINC000013017459 556438383 /nfs/dbraw/zinc/43/83/83/556438383.db2.gz JPFGUZMZFARSPJ-UHFFFAOYSA-N 0 0 447.520 2.837 50 0 IFAARN O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]12 ZINC000014743534 556439682 /nfs/dbraw/zinc/43/96/82/556439682.db2.gz SRRLSWNEJMCEEQ-TZIWHRDSSA-N 0 0 432.549 2.564 50 0 IFAARN C[C@H](NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000013031771 556442992 /nfs/dbraw/zinc/44/29/92/556442992.db2.gz ILGQVXBKJAVQIJ-KRWDZBQOSA-N 0 0 435.977 2.665 50 0 IFAARN CSc1ncccc1C(=O)OCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000013037779 556443251 /nfs/dbraw/zinc/44/32/51/556443251.db2.gz OZJXSYKVHMTDCQ-UHFFFAOYSA-N 0 0 437.275 2.531 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000013038557 556444439 /nfs/dbraw/zinc/44/44/39/556444439.db2.gz FSNRHUZPQMPURM-QGZVFWFLSA-N 0 0 426.542 2.607 50 0 IFAARN CCCCn1c2nc(CCC(=O)NCc3ccccc3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000013039476 556445365 /nfs/dbraw/zinc/44/53/65/556445365.db2.gz AAGNZKYLIBQIIJ-UHFFFAOYSA-N 0 0 425.533 2.591 50 0 IFAARN COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)n2)c1 ZINC000014791392 556445742 /nfs/dbraw/zinc/44/57/42/556445742.db2.gz LUIRGRRWBQZTIC-OKILXGFUSA-N 0 0 427.482 2.717 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000013040934 556446950 /nfs/dbraw/zinc/44/69/50/556446950.db2.gz MPVPEGSIRYMWFQ-UHFFFAOYSA-N 0 0 432.318 2.941 50 0 IFAARN CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000013041674 556447838 /nfs/dbraw/zinc/44/78/38/556447838.db2.gz OCEFLWBSOZETIG-UHFFFAOYSA-N 0 0 443.447 2.646 50 0 IFAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 ZINC000013042568 556448521 /nfs/dbraw/zinc/44/85/21/556448521.db2.gz KVWOVKGNNRDECZ-UHFFFAOYSA-N 0 0 427.892 2.730 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NCC1CCCCC1 ZINC000013056429 556448851 /nfs/dbraw/zinc/44/88/51/556448851.db2.gz YBPKKGAHLRNCHS-UHFFFAOYSA-N 0 0 447.523 2.708 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[C@@H]1C ZINC000013057478 556449094 /nfs/dbraw/zinc/44/90/94/556449094.db2.gz XTLWQNKCRURYSP-MDZRGWNJSA-N 0 0 427.998 2.587 50 0 IFAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000032868943 556449854 /nfs/dbraw/zinc/44/98/54/556449854.db2.gz WYBVLJCSXGIXDD-HXUWFJFHSA-N 0 0 427.455 2.675 50 0 IFAARN COc1ccc(CN(C)CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000013058810 556449876 /nfs/dbraw/zinc/44/98/76/556449876.db2.gz KCDWYYMDRXBTRX-UHFFFAOYSA-N 0 0 431.558 2.940 50 0 IFAARN Cc1ccccc1Nc1nc(N2CCN(CCO)CC2)nc2c1cnn2-c1ccccc1 ZINC000028406098 556454073 /nfs/dbraw/zinc/45/40/73/556454073.db2.gz DSLCWPUDCILMSP-UHFFFAOYSA-N 0 0 429.528 2.982 50 0 IFAARN C[C@@H](c1ccc2c(c1)OCCCO2)N(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C1CC1 ZINC000072274685 556454395 /nfs/dbraw/zinc/45/43/95/556454395.db2.gz ZEJWSNKLFPCMHR-PSLXWICFSA-N 0 0 427.501 2.620 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H]3c3nc4ccccc4s3)nc2)CC1 ZINC000013096413 556456954 /nfs/dbraw/zinc/45/69/54/556456954.db2.gz TUPJYMIGARJVQN-SFHVURJKSA-N 0 0 443.598 2.969 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000028608285 556457003 /nfs/dbraw/zinc/45/70/03/556457003.db2.gz CHJVZPVORRIRRF-UHFFFAOYSA-N 0 0 431.297 2.762 50 0 IFAARN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013097278 556457858 /nfs/dbraw/zinc/45/78/58/556457858.db2.gz IGHKKTQMLJVTOO-RTBURBONSA-N 0 0 427.570 2.500 50 0 IFAARN NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)o1)C(=O)[O-] ZINC000028707108 556459228 /nfs/dbraw/zinc/45/92/28/556459228.db2.gz KQTJPESSNDKYIC-SFHVURJKSA-N 0 0 434.496 2.906 50 0 IFAARN CNS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 ZINC000014942682 556459396 /nfs/dbraw/zinc/45/93/96/556459396.db2.gz ZCFZCKNCVUKUGE-SXYIGIQMSA-N 0 0 447.601 2.890 50 0 IFAARN CCc1ccc(N2C[C@H](C(=O)NCc3nnc4ccc(C(F)(F)F)cn43)CC2=O)cc1 ZINC000028719500 556459499 /nfs/dbraw/zinc/45/94/99/556459499.db2.gz IUWCGMQBJBCPJK-CQSZACIVSA-N 0 0 431.418 2.980 50 0 IFAARN Cc1noc(C)c1COc1ccc(CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 ZINC000013100067 556459860 /nfs/dbraw/zinc/45/98/60/556459860.db2.gz AIOHILQBQMFCMB-XMMPIXPASA-N 0 0 448.479 2.911 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc(NC(=O)C3CC3)s2)c1C ZINC000011031689 556461315 /nfs/dbraw/zinc/46/13/15/556461315.db2.gz GNKDTALZWWVHRB-UHFFFAOYSA-N 0 0 429.498 2.625 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 ZINC000013108286 556461912 /nfs/dbraw/zinc/46/19/12/556461912.db2.gz OUNOWNHWBWMOGU-INIZCTEOSA-N 0 0 432.542 2.908 50 0 IFAARN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000014955015 556462027 /nfs/dbraw/zinc/46/20/27/556462027.db2.gz PFCWOXFAYUMNIV-DEOSSOPVSA-N 0 0 449.511 2.917 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)NC3CCCCC3)CC1)O[C@H](C)C(=O)N2 ZINC000032958877 556462394 /nfs/dbraw/zinc/46/23/94/556462394.db2.gz JSZODYOKLFDQAV-OAHLLOKOSA-N 0 0 449.573 2.564 50 0 IFAARN CCOc1ccccc1-n1nnnc1SCC(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000013109592 556463356 /nfs/dbraw/zinc/46/33/56/556463356.db2.gz OFOLTQFPYUQUQK-UHFFFAOYSA-N 0 0 427.486 2.540 50 0 IFAARN O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc(CC(=O)N2CCOCC2)s1 ZINC000013109985 556463895 /nfs/dbraw/zinc/46/38/95/556463895.db2.gz XGURXTUKHSVLRH-UHFFFAOYSA-N 0 0 432.571 2.928 50 0 IFAARN CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000014962281 556464195 /nfs/dbraw/zinc/46/41/95/556464195.db2.gz QHIBDZIVWYXPQM-INIZCTEOSA-N 0 0 427.471 2.579 50 0 IFAARN NC(=O)CCn1c(SCC(=O)N2CCc3sccc3C2)nnc1-c1cccs1 ZINC000028949056 556464802 /nfs/dbraw/zinc/46/48/02/556464802.db2.gz BUQKSBQPKSMOHJ-UHFFFAOYSA-N 0 0 433.584 2.621 50 0 IFAARN Cc1ccc2nc(-c3ccc(NC(=O)CSc4nnc(C)c(=O)n4N)cc3)sc2c1 ZINC000013112626 556465194 /nfs/dbraw/zinc/46/51/94/556465194.db2.gz KOFZPLUOXZTHFK-UHFFFAOYSA-N 0 0 438.538 2.976 50 0 IFAARN COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)CCN3CCCC3=O)C2)cc(OC)c1 ZINC000014970735 556467071 /nfs/dbraw/zinc/46/70/71/556467071.db2.gz WVWQCBXNQVYAFN-QGZVFWFLSA-N 0 0 431.533 2.674 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000029081359 556467179 /nfs/dbraw/zinc/46/71/79/556467179.db2.gz BSIBRXNYCNCTLG-GOSISDBHSA-N 0 0 444.576 2.853 50 0 IFAARN COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1F ZINC000013114905 556467548 /nfs/dbraw/zinc/46/75/48/556467548.db2.gz AZKOPRBLDAIRFJ-UHFFFAOYSA-N 0 0 426.535 2.955 50 0 IFAARN C[C@H](NC(=O)CCCn1nnnc1CN1CCC(C)CC1)c1cnn(-c2ccccc2)c1 ZINC000014974375 556467823 /nfs/dbraw/zinc/46/78/23/556467823.db2.gz OFHWZDVEMNBEEF-IBGZPJMESA-N 0 0 436.564 2.748 50 0 IFAARN CCn1c2ccc(C(=O)N[C@@H](c3nccn3C)c3ccc(OC)cc3)cc2nc(C)c1=O ZINC000029132732 556468145 /nfs/dbraw/zinc/46/81/45/556468145.db2.gz YZECMQLFXUINGQ-OAQYLSRUSA-N 0 0 431.496 2.986 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3nccn3C(F)F)C2)s1 ZINC000029183424 556469600 /nfs/dbraw/zinc/46/96/00/556469600.db2.gz JMIRQKRKSHGRNM-CYBMUJFWSA-N 0 0 432.518 2.707 50 0 IFAARN Cc1c(=O)c2cccc(C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)c2oc1-c1ccccc1 ZINC000029189599 556469634 /nfs/dbraw/zinc/46/96/34/556469634.db2.gz BBHIPUKIPFEKMT-KRWDZBQOSA-N 0 0 440.521 2.922 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000029209454 556470210 /nfs/dbraw/zinc/47/02/10/556470210.db2.gz AZLOCWWNRFNKMN-UHFFFAOYSA-N 0 0 428.554 2.836 50 0 IFAARN CN(Cc1nc2ccccc2[nH]1)C(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000029329398 556472624 /nfs/dbraw/zinc/47/26/24/556472624.db2.gz MZGDRJPDWYBOPI-UHFFFAOYSA-N 0 0 440.447 2.909 50 0 IFAARN Cc1ccc(C(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)cc1NS(C)(=O)=O ZINC000029374309 556473670 /nfs/dbraw/zinc/47/36/70/556473670.db2.gz ASARWRPXVWXGQU-UHFFFAOYSA-N 0 0 443.569 2.629 50 0 IFAARN O=C(Nc1nc(-c2ccc(Cl)cc2)no1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000072283517 556474338 /nfs/dbraw/zinc/47/43/38/556474338.db2.gz HKYBGAVEMDODOZ-UHFFFAOYSA-N 0 0 448.888 2.663 50 0 IFAARN COCCN1C(=O)C[C@](CC(=O)NC2C3CC4CC(C3)CC2C4)(c2ccccc2C)C1=O ZINC000014990325 556474848 /nfs/dbraw/zinc/47/48/48/556474848.db2.gz DZYVFUAIUJVSPG-BPPFZBJHSA-N 0 0 438.568 2.969 50 0 IFAARN O=C(CN1C[C@@H](c2ccccc2)CC1=O)NC[C@H]1Cc2cc(F)cc(-c3cnccn3)c2O1 ZINC000014993144 556476062 /nfs/dbraw/zinc/47/60/62/556476062.db2.gz HTKRQLCFXICPAP-AZUAARDMSA-N 0 0 446.482 2.719 50 0 IFAARN COc1cc(C[C@]2(CCC(=O)N(C)CCc3c(C)n[nH]c3C)CCC(=O)N2)ccc1F ZINC000014994526 556476800 /nfs/dbraw/zinc/47/68/00/556476800.db2.gz JHLDKBGITFQBNI-HSZRJFAPSA-N 0 0 430.524 2.847 50 0 IFAARN O=C(NCCN1CCOCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000013127872 556476818 /nfs/dbraw/zinc/47/68/18/556476818.db2.gz VBGUXTVILJAYNN-DOTOQJQBSA-N 0 0 441.429 2.745 50 0 IFAARN O=C(NCCN1CCOCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000013127873 556476830 /nfs/dbraw/zinc/47/68/30/556476830.db2.gz VBGUXTVILJAYNN-NVXWUHKLSA-N 0 0 441.429 2.745 50 0 IFAARN COc1cccc(-n2cnnc2SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c1 ZINC000029633368 556479476 /nfs/dbraw/zinc/47/94/76/556479476.db2.gz NWCDGIMDPKYSGF-UHFFFAOYSA-N 0 0 425.470 2.822 50 0 IFAARN O=C(NCCN1CCOCC1)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000013130335 556479752 /nfs/dbraw/zinc/47/97/52/556479752.db2.gz QUZHSYCBZSWPFH-ZFWWWQNUSA-N 0 0 429.468 2.667 50 0 IFAARN O=C(NCCN1CCOCC1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000013130337 556479794 /nfs/dbraw/zinc/47/97/94/556479794.db2.gz QUZHSYCBZSWPFH-HIFRSBDPSA-N 0 0 429.468 2.667 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N(C)CC(=O)Nc2ccc(F)c(F)c2F)nc1 ZINC000013131227 556480479 /nfs/dbraw/zinc/48/04/79/556480479.db2.gz AEHWBNXLSNVWAW-UHFFFAOYSA-N 0 0 430.452 2.604 50 0 IFAARN C[C@@H](Sc1nnc(Cc2cccc3ccccc32)n1N)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000013131830 556480704 /nfs/dbraw/zinc/48/07/04/556480704.db2.gz UFXIZVWOEISXKD-OWCLPIDISA-N 0 0 425.558 2.852 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000013132048 556480721 /nfs/dbraw/zinc/48/07/21/556480721.db2.gz AKXPRWSBNYSFFI-UHFFFAOYSA-N 0 0 430.555 2.697 50 0 IFAARN Cc1cc2oc(=O)cc(COC(=O)C3CCN(c4ccc(C(N)=O)cn4)CC3)c2cc1C ZINC000032873902 556481424 /nfs/dbraw/zinc/48/14/24/556481424.db2.gz XGWPANKJMBAPHA-UHFFFAOYSA-N 0 0 435.480 2.864 50 0 IFAARN COc1cc(Br)c(CCNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)cc1OC ZINC000029759214 556481463 /nfs/dbraw/zinc/48/14/63/556481463.db2.gz YXEWHXQRCDNHHA-AWEZNQCLSA-N 0 0 427.339 2.630 50 0 IFAARN O=C(c1cccc(F)c1)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 ZINC000015005580 556481511 /nfs/dbraw/zinc/48/15/11/556481511.db2.gz BSAQOKCAVPLMDN-UHFFFAOYSA-N 0 0 444.466 2.979 50 0 IFAARN NC(=O)c1ccc(N2CCC(C(=O)OCc3cc(=O)oc4cc5c(cc34)CCC5)CC2)nc1 ZINC000032873901 556481542 /nfs/dbraw/zinc/48/15/42/556481542.db2.gz JXMONSAUZJZATM-UHFFFAOYSA-N 0 0 447.491 2.735 50 0 IFAARN Cc1nn(C)c2nc(C)c(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc12 ZINC000029776832 556482271 /nfs/dbraw/zinc/48/22/71/556482271.db2.gz OQISHYAWCACQQV-UHFFFAOYSA-N 0 0 435.484 2.805 50 0 IFAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)NCC(F)(F)F)c1)C(=O)Nc1ccccc1F ZINC000013134283 556482369 /nfs/dbraw/zinc/48/23/69/556482369.db2.gz DZMJDYIGILIFQF-LLVKDONJSA-N 0 0 448.394 2.850 50 0 IFAARN COc1cc(NC(=O)Cn2c3ccccc3[n+]([O-])c(-c3ccccc3)c2=O)cc(OC)c1 ZINC000013134447 556482387 /nfs/dbraw/zinc/48/23/87/556482387.db2.gz DGLHTSOXURRTPB-UHFFFAOYSA-N 0 0 431.448 2.958 50 0 IFAARN CS(=O)(=O)N1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000032876161 556483216 /nfs/dbraw/zinc/48/32/16/556483216.db2.gz KWPHTKUSQDHDEN-UHFFFAOYSA-N 0 0 438.553 2.752 50 0 IFAARN COc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)c1 ZINC000013137282 556484404 /nfs/dbraw/zinc/48/44/04/556484404.db2.gz PYBJRKSZQXBPHS-UHFFFAOYSA-N 0 0 434.514 2.756 50 0 IFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)COc2cc(C)ccc2Cl)c(=O)[nH]c1=O ZINC000013137731 556484442 /nfs/dbraw/zinc/48/44/42/556484442.db2.gz JMZNKPUPBKIVFD-UHFFFAOYSA-N 0 0 436.940 2.949 50 0 IFAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)NCc1nnc2ccccn21 ZINC000029928202 556486621 /nfs/dbraw/zinc/48/66/21/556486621.db2.gz WRFFBSZPEJXHOB-UHFFFAOYSA-N 0 0 434.525 2.662 50 0 IFAARN Cc1ccc(NC(=O)CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)cc1 ZINC000015019702 556487713 /nfs/dbraw/zinc/48/77/13/556487713.db2.gz RVHUHFUNCMUWKW-UHFFFAOYSA-N 0 0 445.570 2.821 50 0 IFAARN CC1CCN(c2nnc(SCC(=O)NC[C@H]3COc4ccccc4O3)n2C2CC2)CC1 ZINC000032876407 556488483 /nfs/dbraw/zinc/48/84/83/556488483.db2.gz IQVYNHKDDMOEQL-KRWDZBQOSA-N 0 0 443.573 2.898 50 0 IFAARN O=C(NCCCN1CCCC1=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000032876673 556489407 /nfs/dbraw/zinc/48/94/07/556489407.db2.gz BZKCSIICSSCMRI-UHFFFAOYSA-N 0 0 425.451 2.686 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C)C[C@@H]3c3ccccc3)C2)s1 ZINC000030030737 556489839 /nfs/dbraw/zinc/48/98/39/556489839.db2.gz XDVVXMGOSHQEGQ-WOJBJXKFSA-N 0 0 447.626 2.973 50 0 IFAARN CCc1nnsc1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000030061991 556490306 /nfs/dbraw/zinc/49/03/06/556490306.db2.gz LEVYYSVFFLYPNG-UHFFFAOYSA-N 0 0 435.358 2.554 50 0 IFAARN CCOc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013149441 556491016 /nfs/dbraw/zinc/49/10/16/556491016.db2.gz UAKYRXORNORMCD-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)COc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000013149437 556491020 /nfs/dbraw/zinc/49/10/20/556491020.db2.gz BAEQIMMNQMYXIU-UHFFFAOYSA-N 0 0 446.525 2.730 50 0 IFAARN O=C(CSCc1cc(=O)n2ccsc2n1)NCc1ccc(Cn2ccnc2)cc1 ZINC000030217020 556491768 /nfs/dbraw/zinc/49/17/68/556491768.db2.gz PZWNBTIMSYSDAW-UHFFFAOYSA-N 0 0 425.539 2.550 50 0 IFAARN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000013150051 556491985 /nfs/dbraw/zinc/49/19/85/556491985.db2.gz PJJSIDAFCBJVOW-OAQYLSRUSA-N 0 0 435.446 2.884 50 0 IFAARN O=C(Nc1ccc(F)cc1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000030257742 556492423 /nfs/dbraw/zinc/49/24/23/556492423.db2.gz SEWVZBCJKDOTAJ-HNNXBMFYSA-N 0 0 428.439 2.694 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(c3cc4ccccc4o3)C1=O)OCO2 ZINC000030345795 556492879 /nfs/dbraw/zinc/49/28/79/556492879.db2.gz SBKINOJKSJJSJZ-QHCPKHFHSA-N 0 0 449.419 2.770 50 0 IFAARN CCCNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000013153223 556493051 /nfs/dbraw/zinc/49/30/51/556493051.db2.gz OLDRVJKISCCCSX-UHFFFAOYSA-N 0 0 434.558 2.684 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)Nc1ccc2c(c1)CCO2 ZINC000030372868 556493608 /nfs/dbraw/zinc/49/36/08/556493608.db2.gz ZVAYKCKQEPLYJH-KRWDZBQOSA-N 0 0 432.527 2.568 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O)c1cc2ccccc2o1 ZINC000013163367 556493785 /nfs/dbraw/zinc/49/37/85/556493785.db2.gz HUNRUGGDVNUWMC-BSEYFRJRSA-N 0 0 449.463 2.848 50 0 IFAARN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000015070067 556494960 /nfs/dbraw/zinc/49/49/60/556494960.db2.gz CNMOOTOEQRAOAL-HXUWFJFHSA-N 0 0 439.965 2.959 50 0 IFAARN Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000030496230 556495055 /nfs/dbraw/zinc/49/50/55/556495055.db2.gz SRYKAARNHHZFQX-UHFFFAOYSA-N 0 0 429.542 2.998 50 0 IFAARN O=C(CCc1nc2ccccc2s1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000013164057 556495360 /nfs/dbraw/zinc/49/53/60/556495360.db2.gz XERQBKYRGVDZCJ-LJQANCHMSA-N 0 0 437.521 2.740 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)c1C ZINC000013164187 556496125 /nfs/dbraw/zinc/49/61/25/556496125.db2.gz IUKCULALDHHGKF-QHCPKHFHSA-N 0 0 439.468 2.645 50 0 IFAARN CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(c2nc(C)cnc2C)CC1 ZINC000015072007 556496600 /nfs/dbraw/zinc/49/66/00/556496600.db2.gz BRDGAKOTUIMJSM-UHFFFAOYSA-N 0 0 435.576 2.935 50 0 IFAARN c1ccc(-n2nnnc2N2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000030520605 556496686 /nfs/dbraw/zinc/49/66/86/556496686.db2.gz IJCGAHVAWZRIJP-UHFFFAOYSA-N 0 0 435.495 2.994 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000013165046 556497661 /nfs/dbraw/zinc/49/76/61/556497661.db2.gz QJJNLVBEXWQKDH-UHFFFAOYSA-N 0 0 430.507 2.885 50 0 IFAARN COc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000013165034 556497732 /nfs/dbraw/zinc/49/77/32/556497732.db2.gz RNFCQZZUFREQQI-QGZVFWFLSA-N 0 0 435.546 2.542 50 0 IFAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCn2c3ccccc3nc21 ZINC000030794836 556506140 /nfs/dbraw/zinc/50/61/40/556506140.db2.gz FPFLULLTTHJSIU-OAHLLOKOSA-N 0 0 428.489 2.623 50 0 IFAARN COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(F)cc1F ZINC000030820555 556506836 /nfs/dbraw/zinc/50/68/36/556506836.db2.gz BUJBLKZJGGVSRO-UHFFFAOYSA-N 0 0 444.481 2.852 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 ZINC000013494498 556508754 /nfs/dbraw/zinc/50/87/54/556508754.db2.gz QDQZSUOUJBRIHK-KRWDZBQOSA-N 0 0 431.492 2.661 50 0 IFAARN CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000032882396 556509052 /nfs/dbraw/zinc/50/90/52/556509052.db2.gz DVTCKLLFMHPWFM-UHFFFAOYSA-N 0 0 448.570 2.901 50 0 IFAARN CN(Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000030860802 556511036 /nfs/dbraw/zinc/51/10/36/556511036.db2.gz CCABLIPACCGGDD-UHFFFAOYSA-N 0 0 428.558 2.785 50 0 IFAARN CN1C(=O)N(CC(=O)NCCc2ccc(Br)s2)C(=O)C12CCCCC2 ZINC000032889148 556511824 /nfs/dbraw/zinc/51/18/24/556511824.db2.gz XGXPRFHSXDFWMO-UHFFFAOYSA-N 0 0 428.352 2.766 50 0 IFAARN NC(=O)CCc1nnc(SCc2ccc(Br)cc2)n1C[C@@H]1CCCO1 ZINC000032895037 556514251 /nfs/dbraw/zinc/51/42/51/556514251.db2.gz TWFKDTQXASOGRT-AWEZNQCLSA-N 0 0 425.352 2.930 50 0 IFAARN Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000030913415 556514900 /nfs/dbraw/zinc/51/49/00/556514900.db2.gz BQXZSRARISECOW-UHFFFAOYSA-N 0 0 429.567 2.989 50 0 IFAARN NS(=O)(=O)c1cccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000032895738 556515348 /nfs/dbraw/zinc/51/53/48/556515348.db2.gz CWHINRKWBYJQQK-LJQANCHMSA-N 0 0 434.564 2.732 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)ccc1Cl ZINC000030938963 556515564 /nfs/dbraw/zinc/51/55/64/556515564.db2.gz ICDTXQVCYHMNAQ-QGZVFWFLSA-N 0 0 438.889 2.682 50 0 IFAARN COc1ccc(CN(C)[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1OC ZINC000015298090 556516441 /nfs/dbraw/zinc/51/64/41/556516441.db2.gz LTTBTXVKVDATDH-GFCCVEGCSA-N 0 0 439.434 2.696 50 0 IFAARN C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NCc1ccco1 ZINC000013556489 556516880 /nfs/dbraw/zinc/51/68/80/556516880.db2.gz CAXMRHXEZIZOER-KXBFYZLASA-N 0 0 427.501 2.763 50 0 IFAARN COC(=O)C1=C(COc2ccc(OC)cc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000013566253 556518923 /nfs/dbraw/zinc/51/89/23/556518923.db2.gz OCDMBKXEMGDWOV-FQEVSTJZSA-N 0 0 428.441 2.572 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1OC ZINC000013566072 556518932 /nfs/dbraw/zinc/51/89/32/556518932.db2.gz PWYYXOPHYSOPEH-SFHVURJKSA-N 0 0 432.542 2.763 50 0 IFAARN Cc1ccc(CSCCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000013565833 556518941 /nfs/dbraw/zinc/51/89/41/556518941.db2.gz MZDSGRIJLUYSJZ-UHFFFAOYSA-N 0 0 436.555 2.539 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1ccccn1 ZINC000013566406 556519481 /nfs/dbraw/zinc/51/94/81/556519481.db2.gz KJIJJEXSOCZUTR-UHFFFAOYSA-N 0 0 437.521 2.837 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1NC(=O)c1ccccc1F ZINC000013566390 556519497 /nfs/dbraw/zinc/51/94/97/556519497.db2.gz WQXSAXKLDAHIPJ-UHFFFAOYSA-N 0 0 435.521 2.803 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)cc(OC)c1OC ZINC000032891659 556519640 /nfs/dbraw/zinc/51/96/40/556519640.db2.gz OCQQFPDLCXUBSB-MAUKXSAKSA-N 0 0 434.489 2.633 50 0 IFAARN CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1-c1ccc(C(C)=O)cc1 ZINC000013566874 556520203 /nfs/dbraw/zinc/52/02/03/556520203.db2.gz HOEPGIAMBBHKOW-UHFFFAOYSA-N 0 0 447.498 2.826 50 0 IFAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)C2=O)cc1 ZINC000011077183 556520454 /nfs/dbraw/zinc/52/04/54/556520454.db2.gz YLSBIIHGYBYINU-JOCHJYFZSA-N 0 0 443.525 2.619 50 0 IFAARN CC(C)Cn1c(=O)c2cccnc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000032893372 556521028 /nfs/dbraw/zinc/52/10/28/556521028.db2.gz HFEUDUYQOIGHSL-UHFFFAOYSA-N 0 0 426.498 2.950 50 0 IFAARN Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)CCc2cnn(C)c2)c2ccccc2)c(C)c1 ZINC000072297590 556522454 /nfs/dbraw/zinc/52/24/54/556522454.db2.gz FCLMIDDUCPFZCA-NRFANRHFSA-N 0 0 440.569 2.806 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1 ZINC000015364087 556523337 /nfs/dbraw/zinc/52/33/37/556523337.db2.gz NUXOHJIGWKPSQA-UHFFFAOYSA-N 0 0 436.580 2.905 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@H]4c2ccc(F)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000013573717 556523990 /nfs/dbraw/zinc/52/39/90/556523990.db2.gz OMZIHAOCTQUMMD-QFIPXVFZSA-N 0 0 435.455 2.973 50 0 IFAARN CN(C[C@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O ZINC000013573906 556524358 /nfs/dbraw/zinc/52/43/58/556524358.db2.gz CRJBJBPTAGDYSC-PGLQMZEQSA-N 0 0 430.457 2.760 50 0 IFAARN O=C(NCCCc1nnc2n1CCCCC2)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000072301232 556524497 /nfs/dbraw/zinc/52/44/97/556524497.db2.gz HAOYHWIKKUEVAW-UHFFFAOYSA-N 0 0 442.541 2.934 50 0 IFAARN COc1cccc([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1OC ZINC000013576047 556525847 /nfs/dbraw/zinc/52/58/47/556525847.db2.gz MPKYNPBYZPNPGZ-HSZRJFAPSA-N 0 0 447.491 2.843 50 0 IFAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccccn3)CC2)C12CCCC2 ZINC000031811106 556526306 /nfs/dbraw/zinc/52/63/06/556526306.db2.gz SPKVMOWZPVJLLG-HSZRJFAPSA-N 0 0 448.567 2.929 50 0 IFAARN Cn1c2ccccc2c(=O)n([C@@H](Cc2ccccc2)C(=O)NCc2ccc(F)cc2)c1=O ZINC000013576630 556526451 /nfs/dbraw/zinc/52/64/51/556526451.db2.gz DRSFMNCPGSZRLE-QFIPXVFZSA-N 0 0 431.467 2.940 50 0 IFAARN CC(=O)c1ccc(OC[C@@H](O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000032721117 556528711 /nfs/dbraw/zinc/52/87/11/556528711.db2.gz LGUXAUXGGFQYGZ-QFIPXVFZSA-N 0 0 439.556 2.502 50 0 IFAARN COC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)CCCCC1 ZINC000032900519 556529352 /nfs/dbraw/zinc/52/93/52/556529352.db2.gz GZOKHACHFHEPRT-CALCHBBNSA-N 0 0 436.574 2.959 50 0 IFAARN COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NCCc1ccccc1)CCS3 ZINC000013591926 556530052 /nfs/dbraw/zinc/53/00/52/556530052.db2.gz YLCLKURKHNBXAX-UHFFFAOYSA-N 0 0 434.521 2.824 50 0 IFAARN COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000032900021 556531940 /nfs/dbraw/zinc/53/19/40/556531940.db2.gz PDZJRFWFYJXGHU-UHFFFAOYSA-N 0 0 426.897 2.772 50 0 IFAARN COc1cc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc(OC)c1OCC(N)=O ZINC000015513620 556532347 /nfs/dbraw/zinc/53/23/47/556532347.db2.gz OTEUSQWMASRWRA-ZDUSSCGKSA-N 0 0 448.545 2.509 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc(C)c1C ZINC000011083633 556533458 /nfs/dbraw/zinc/53/34/58/556533458.db2.gz QEWAAHCFGQHZIG-UHFFFAOYSA-N 0 0 426.542 2.729 50 0 IFAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)CC1 ZINC000015591002 556536485 /nfs/dbraw/zinc/53/64/85/556536485.db2.gz QSVJOQZQTJGNPL-UHFFFAOYSA-N 0 0 439.896 2.584 50 0 IFAARN Cc1coc2cc3oc(=O)c(CC(=O)Nc4ccc(S(N)(=O)=O)cc4)c(C)c3cc12 ZINC000013625254 556536670 /nfs/dbraw/zinc/53/66/70/556536670.db2.gz WRJCHFIBFBEDID-UHFFFAOYSA-N 0 0 426.450 2.985 50 0 IFAARN O=C(NCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000013625011 556536739 /nfs/dbraw/zinc/53/67/39/556536739.db2.gz JILUMUKGSFOFQH-IBGZPJMESA-N 0 0 441.553 2.531 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)CCc3ccccc3)n2N)c(OC)c1 ZINC000032719419 556537267 /nfs/dbraw/zinc/53/72/67/556537267.db2.gz AJBNWQCRFSVMQS-HNNXBMFYSA-N 0 0 441.557 2.906 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(F)cc3F)n2N)c(OC)c1 ZINC000032719445 556537277 /nfs/dbraw/zinc/53/72/77/556537277.db2.gz IYRHYSSYGWTJTE-NSHDSACASA-N 0 0 449.483 2.924 50 0 IFAARN CCn1cc(C(=O)NCCC(=O)Nc2ccc(OC)cc2)c(=O)c2cc3c(cc21)OCO3 ZINC000013626702 556537335 /nfs/dbraw/zinc/53/73/35/556537335.db2.gz FDWJJRFEZOBFGB-UHFFFAOYSA-N 0 0 437.452 2.517 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON=C(C4=Cc5ccccc5O[C@@H]4C)C3=C2O)cc1 ZINC000013627036 556537649 /nfs/dbraw/zinc/53/76/49/556537649.db2.gz MMNWRIGYIGYZRW-YIILKADPSA-N 0 0 432.432 2.972 50 0 IFAARN Cc1nc2cc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)ccc2n1-c1ccccc1 ZINC000032719768 556538610 /nfs/dbraw/zinc/53/86/10/556538610.db2.gz JUEVFICFTAEQGW-UHFFFAOYSA-N 0 0 431.540 2.714 50 0 IFAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C ZINC000015673659 556542735 /nfs/dbraw/zinc/54/27/35/556542735.db2.gz GXSVXIYVJBLOQF-UHFFFAOYSA-N 0 0 437.499 2.637 50 0 IFAARN CC1=NS(=O)(=O)NC(C)=C1CCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000032904673 556544247 /nfs/dbraw/zinc/54/42/47/556544247.db2.gz GPLOALGXHHJHFP-UHFFFAOYSA-N 0 0 430.486 2.511 50 0 IFAARN CCN(C(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000032904934 556544892 /nfs/dbraw/zinc/54/48/92/556544892.db2.gz QGKYXMNMXYDQPR-LJQANCHMSA-N 0 0 427.526 2.871 50 0 IFAARN O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000072303420 556547852 /nfs/dbraw/zinc/54/78/52/556547852.db2.gz NAMZTELOQCIQSF-AWEZNQCLSA-N 0 0 439.419 2.700 50 0 IFAARN COc1ccc(-c2nc(CC(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)cs2)cc1OC ZINC000032722580 556547969 /nfs/dbraw/zinc/54/79/69/556547969.db2.gz QKWPWYBAPMJGGH-GOSISDBHSA-N 0 0 437.521 2.809 50 0 IFAARN COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000072305325 556550650 /nfs/dbraw/zinc/55/06/50/556550650.db2.gz XRHGCZWBMLBQQX-NVXWUHKLSA-N 0 0 431.489 2.507 50 0 IFAARN COc1cccc(CNC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(C)c2=O)c1 ZINC000015779951 556551201 /nfs/dbraw/zinc/55/12/01/556551201.db2.gz RUDFABWZBDEIQT-UHFFFAOYSA-N 0 0 431.496 2.685 50 0 IFAARN COc1cccc(CNC(=O)CCc2nc3c(C)nn(-c4ccc(C)cc4)c3n(C)c2=O)c1 ZINC000015779855 556551225 /nfs/dbraw/zinc/55/12/25/556551225.db2.gz UDZPGYLMDKVYGG-UHFFFAOYSA-N 0 0 445.523 2.994 50 0 IFAARN Cc1c(=O)c2cccc(C(=O)N3CCCN(S(C)(=O)=O)CC3)c2oc1-c1ccccc1 ZINC000032906095 556551809 /nfs/dbraw/zinc/55/18/09/556551809.db2.gz AEKPBCFMBQMJKL-UHFFFAOYSA-N 0 0 440.521 2.876 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000072305466 556553292 /nfs/dbraw/zinc/55/32/92/556553292.db2.gz NCAAZENFRVDNRA-KRWDZBQOSA-N 0 0 439.578 2.799 50 0 IFAARN CCCNC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000015853028 556557696 /nfs/dbraw/zinc/55/76/96/556557696.db2.gz CZDHEWWPDKGNLV-JIIJFUIFSA-N 0 0 442.537 2.909 50 0 IFAARN C[C@](O)(CNC(=O)c1cc2ccccc2n1Cc1ccccc1F)CN1CCOCC1 ZINC000072306610 556557940 /nfs/dbraw/zinc/55/79/40/556557940.db2.gz XCIJVHLQCPPDCN-DEOSSOPVSA-N 0 0 425.504 2.642 50 0 IFAARN COc1ccc(NC(=O)C[C@@H](C[NH+]2CCN(c3cccc(OC)c3)CC2)C(=O)[O-])cc1 ZINC000071283740 556559939 /nfs/dbraw/zinc/55/99/39/556559939.db2.gz MMLXLMXEKVLOHN-KRWDZBQOSA-N 0 0 427.501 2.555 50 0 IFAARN O=C(NC1CCCCC1)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F ZINC000072306810 556560638 /nfs/dbraw/zinc/56/06/38/556560638.db2.gz QXBXYKRNCQDAOK-UHFFFAOYSA-N 0 0 449.342 2.672 50 0 IFAARN CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N[C@H](C(C)(C)C)C(F)(F)F)cc1 ZINC000072307392 556562296 /nfs/dbraw/zinc/56/22/96/556562296.db2.gz KQKUUZPEAQGKCC-CQSZACIVSA-N 0 0 431.498 2.755 50 0 IFAARN CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cc1 ZINC000072307391 556562343 /nfs/dbraw/zinc/56/23/43/556562343.db2.gz KQKUUZPEAQGKCC-AWEZNQCLSA-N 0 0 431.498 2.755 50 0 IFAARN CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCc1c(OC)cc(OC)cc1OC ZINC000072307834 556563132 /nfs/dbraw/zinc/56/31/32/556563132.db2.gz YDPXIBMWXBQMKP-UHFFFAOYSA-N 0 0 429.926 2.875 50 0 IFAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)CC1 ZINC000015919202 556563277 /nfs/dbraw/zinc/56/32/77/556563277.db2.gz UFOOOPVRGSPMLO-UHFFFAOYSA-N 0 0 437.562 2.520 50 0 IFAARN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CCN(c2nccn2C)CC1 ZINC000072308100 556563675 /nfs/dbraw/zinc/56/36/75/556563675.db2.gz CNRLAVPQHBGYAO-CYBMUJFWSA-N 0 0 432.500 2.971 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000015934728 556565716 /nfs/dbraw/zinc/56/57/16/556565716.db2.gz FHOCUMKGECSLRF-UHFFFAOYSA-N 0 0 437.949 2.593 50 0 IFAARN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)c1C ZINC000015940989 556566312 /nfs/dbraw/zinc/56/63/12/556566312.db2.gz GWMYRCNZQDUAHJ-UHFFFAOYSA-N 0 0 445.585 2.945 50 0 IFAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000015943686 556566649 /nfs/dbraw/zinc/56/66/49/556566649.db2.gz NXXZBCDIJZJWGE-ZIAGYGMSSA-N 0 0 444.600 2.692 50 0 IFAARN O=C(CCCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000015952198 556569110 /nfs/dbraw/zinc/56/91/10/556569110.db2.gz QSSKEPATFKKOCP-IYBDPMFKSA-N 0 0 428.876 2.738 50 0 IFAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016001552 556572753 /nfs/dbraw/zinc/57/27/53/556572753.db2.gz HVGKNCXAETYDEW-QPXQOZNCSA-N 0 0 437.883 2.780 50 0 IFAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000072309714 556572879 /nfs/dbraw/zinc/57/28/79/556572879.db2.gz SWIOVXVJBPFRQZ-UHFFFAOYSA-N 0 0 434.562 2.574 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000032909413 556573337 /nfs/dbraw/zinc/57/33/37/556573337.db2.gz NMFOBIYIEOUCDB-UHFFFAOYSA-N 0 0 428.441 2.867 50 0 IFAARN COC(=O)c1ccccc1NC(=O)c1c2c(sc1NC(=O)CN1CCOCC1)CCC2 ZINC000001159406 556574142 /nfs/dbraw/zinc/57/41/42/556574142.db2.gz WWJBZGRVHXTZKT-UHFFFAOYSA-N 0 0 443.525 2.546 50 0 IFAARN O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000016011904 556574285 /nfs/dbraw/zinc/57/42/85/556574285.db2.gz ZBMSHHNCKGMYTQ-RQXXJAGISA-N 0 0 425.847 2.910 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1cc(C(F)(F)F)ccc1Cl ZINC000002813794 556575100 /nfs/dbraw/zinc/57/51/00/556575100.db2.gz QTLDETMJSDRDIN-UHFFFAOYSA-N 0 0 449.838 2.862 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)s1 ZINC000002709750 556575161 /nfs/dbraw/zinc/57/51/61/556575161.db2.gz GWCUKXGEYWGMPF-UHFFFAOYSA-N 0 0 431.333 2.784 50 0 IFAARN O=C(C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O)N1CCN(Cc2ccccc2)CC1 ZINC000016625703 556575505 /nfs/dbraw/zinc/57/55/05/556575505.db2.gz KOCZDCUJCQQHBQ-NRFANRHFSA-N 0 0 429.524 2.853 50 0 IFAARN CSCC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000016026200 556576542 /nfs/dbraw/zinc/57/65/42/556576542.db2.gz OSHQNXPZTMFVRG-NRFANRHFSA-N 0 0 437.565 2.749 50 0 IFAARN Cc1ccc(CN(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000019972708 556576771 /nfs/dbraw/zinc/57/67/71/556576771.db2.gz WCSUMCJKOXWGGJ-UHFFFAOYSA-N 0 0 435.977 2.613 50 0 IFAARN O=C(C1CCC(CNS(=O)(=O)c2ccccc2)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000016033737 556577058 /nfs/dbraw/zinc/57/70/58/556577058.db2.gz RDMNATBELOOMFB-MPDZVGHASA-N 0 0 434.602 2.925 50 0 IFAARN CCn1c(SCC(=O)OCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccccc1C ZINC000016044201 556578598 /nfs/dbraw/zinc/57/85/98/556578598.db2.gz LOFVOYLMXWCFBN-UHFFFAOYSA-N 0 0 445.545 2.677 50 0 IFAARN O=C(COc1ccc(I)cc1)NCCc1ccc2c(c1)OCCO2 ZINC000016045073 556579272 /nfs/dbraw/zinc/57/92/72/556579272.db2.gz AZKXRYVAJCYVDD-UHFFFAOYSA-N 0 0 439.249 2.800 50 0 IFAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O ZINC000016046182 556580125 /nfs/dbraw/zinc/58/01/25/556580125.db2.gz KOKYVNGXJJADPI-HSZRJFAPSA-N 0 0 441.459 2.808 50 0 IFAARN O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000016090868 556582458 /nfs/dbraw/zinc/58/24/58/556582458.db2.gz OXUJCYVGAAGHNS-UHFFFAOYSA-N 0 0 441.383 2.750 50 0 IFAARN O=C(CSc1nc2ccccc2c(Nc2ccccc2)n1)N[C@@H]1CCS(=O)(=O)C1 ZINC000016097353 556582711 /nfs/dbraw/zinc/58/27/11/556582711.db2.gz SYSOZTPECKENEZ-OAHLLOKOSA-N 0 0 428.539 2.769 50 0 IFAARN C[C@H]1NC(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)=NN(c2ccccc2)C1=O ZINC000032962686 556582905 /nfs/dbraw/zinc/58/29/05/556582905.db2.gz BPFOEOBFOSVBRR-CYBMUJFWSA-N 0 0 426.427 2.728 50 0 IFAARN COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O ZINC000032911200 556584596 /nfs/dbraw/zinc/58/45/96/556584596.db2.gz BQPRLDILVQGJLY-NRFANRHFSA-N 0 0 429.860 2.825 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)N(C)Cc3ccccc3)CC2)c(C)c1 ZINC000034868165 556584709 /nfs/dbraw/zinc/58/47/09/556584709.db2.gz KRXSKCVYRCWIPC-UHFFFAOYSA-N 0 0 429.586 2.577 50 0 IFAARN CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)s1 ZINC000016131027 556584910 /nfs/dbraw/zinc/58/49/10/556584910.db2.gz ATASUGLMXNYDNI-UHFFFAOYSA-N 0 0 428.510 2.589 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)c(C)c1 ZINC000034887472 556585491 /nfs/dbraw/zinc/58/54/91/556585491.db2.gz YOJITNJGQJKTHU-FQEVSTJZSA-N 0 0 429.586 2.796 50 0 IFAARN CCOc1ccccc1N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000034887531 556585594 /nfs/dbraw/zinc/58/55/94/556585594.db2.gz JSXNZLDBZXYBRV-UHFFFAOYSA-N 0 0 442.585 2.885 50 0 IFAARN CCOc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c2C)nn1 ZINC000034889295 556585726 /nfs/dbraw/zinc/58/57/26/556585726.db2.gz KNWHDBLCINMCFZ-KJGCVMFHSA-N 0 0 429.521 2.856 50 0 IFAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000032969298 556588745 /nfs/dbraw/zinc/58/87/45/556588745.db2.gz GPWNGCRRGLXVAR-RUZDIDTESA-N 0 0 444.491 2.704 50 0 IFAARN O=S(=O)(c1ccc(NC(=S)NCc2ccccc2Cl)cc1)N1CCOCC1 ZINC000016221454 556592095 /nfs/dbraw/zinc/59/20/95/556592095.db2.gz PNHRLXNOKVTHND-UHFFFAOYSA-N 0 0 425.963 2.848 50 0 IFAARN COc1ccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)cc1S(=O)(=O)N(C)C ZINC000016233438 556593735 /nfs/dbraw/zinc/59/37/35/556593735.db2.gz CCDLXLZVULKKQU-UHFFFAOYSA-N 0 0 434.543 2.968 50 0 IFAARN CCn1nc(C)c(CCNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)c1C ZINC000032973941 556596021 /nfs/dbraw/zinc/59/60/21/556596021.db2.gz YFMZNWRBNIZXMG-UHFFFAOYSA-N 0 0 432.590 2.670 50 0 IFAARN COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000036289476 556596372 /nfs/dbraw/zinc/59/63/72/556596372.db2.gz UCBAQBGXLFVDGM-UHFFFAOYSA-N 0 0 439.537 2.793 50 0 IFAARN C[C@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)c1ccc(F)c(F)c1 ZINC000016279279 556596488 /nfs/dbraw/zinc/59/64/88/556596488.db2.gz DAZHYGAKCBPJCQ-LBPRGKRZSA-N 0 0 436.436 2.598 50 0 IFAARN CS(=O)(=O)c1ccc(NC[C@H](c2ccco2)N2CCCCC2)c(S(C)(=O)=O)c1 ZINC000016311146 556599638 /nfs/dbraw/zinc/59/96/38/556599638.db2.gz WEQRKRZLZXNTFS-QGZVFWFLSA-N 0 0 426.560 2.726 50 0 IFAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000036708276 556599814 /nfs/dbraw/zinc/59/98/14/556599814.db2.gz IUNVJOKNHYURTH-UHFFFAOYSA-N 0 0 441.479 2.607 50 0 IFAARN C[C@@H]1C[C@]2(C[C@@](C)(C(=O)CSc3n[nH]c(-c4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000016319864 556600149 /nfs/dbraw/zinc/60/01/49/556600149.db2.gz FTZRUURQZZDBSC-TWOIEQCOSA-N 0 0 435.889 2.814 50 0 IFAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000032975707 556600446 /nfs/dbraw/zinc/60/04/46/556600446.db2.gz JDVOUYZDRPNJLY-QZTJIDSGSA-N 0 0 434.558 2.791 50 0 IFAARN COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OCC(N)=O ZINC000016403180 556606055 /nfs/dbraw/zinc/60/60/55/556606055.db2.gz COGJLHAJBOHYGE-UHFFFAOYSA-N 0 0 442.251 2.914 50 0 IFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)NCc3ccccc3C)s2)cc1 ZINC000032987419 556607481 /nfs/dbraw/zinc/60/74/81/556607481.db2.gz VSWPFALQQUSJSL-UHFFFAOYSA-N 0 0 426.498 2.940 50 0 IFAARN O=C(Nc1ccccc1F)N1CCN(c2cc(=O)n3nc(-c4ccco4)sc3n2)CC1 ZINC000032996210 556611418 /nfs/dbraw/zinc/61/14/18/556611418.db2.gz PSDVNMXYYAUQCI-UHFFFAOYSA-N 0 0 440.460 2.904 50 0 IFAARN CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000032915661 556613023 /nfs/dbraw/zinc/61/30/23/556613023.db2.gz NYRYRODACLMJQD-INIZCTEOSA-N 0 0 444.981 2.788 50 0 IFAARN CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000016553619 556615083 /nfs/dbraw/zinc/61/50/83/556615083.db2.gz OUJFXINBTGDYDZ-IBGZPJMESA-N 0 0 436.556 2.771 50 0 IFAARN O=C(NC[C@@H]1CCCO1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000016647938 556620015 /nfs/dbraw/zinc/62/00/15/556620015.db2.gz XEHWSJXULFAXHV-HNNXBMFYSA-N 0 0 435.373 2.830 50 0 IFAARN CSCC[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1nc2ccccc2[nH]1 ZINC000016677993 556622882 /nfs/dbraw/zinc/62/28/82/556622882.db2.gz XWXWHEGKARXNJD-INIZCTEOSA-N 0 0 429.546 2.728 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)NCCC1=CCCCC1 ZINC000097938462 556634775 /nfs/dbraw/zinc/63/47/75/556634775.db2.gz XGINJHCEXNSAFJ-UHFFFAOYSA-N 0 0 429.542 2.964 50 0 IFAARN COCCCN(Cc1ccc(OS(C)(=O)=O)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000033795371 556636157 /nfs/dbraw/zinc/63/61/57/556636157.db2.gz SLBSHWZPRNDVIY-UHFFFAOYSA-N 0 0 427.544 2.561 50 0 IFAARN COc1cc(NC(=O)CC2(n3cccc3)CCOCC2)ccc1N1CCCCS1(=O)=O ZINC000409414482 556639707 /nfs/dbraw/zinc/63/97/07/556639707.db2.gz SDJHYYLWWHUBJG-UHFFFAOYSA-N 0 0 447.557 2.961 50 0 IFAARN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)CCC2)cc1 ZINC000061562426 556642253 /nfs/dbraw/zinc/64/22/53/556642253.db2.gz ZPRXPXRSOQVRNY-UHFFFAOYSA-N 0 0 444.557 2.585 50 0 IFAARN Cc1cccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)CC2=O)c1C ZINC000016795116 556643119 /nfs/dbraw/zinc/64/31/19/556643119.db2.gz PASKQPWYPAOYKY-SJORKVTESA-N 0 0 435.480 2.573 50 0 IFAARN Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1O ZINC000011711703 556643281 /nfs/dbraw/zinc/64/32/81/556643281.db2.gz ODTNDJCWVJPAEC-OAHLLOKOSA-N 0 0 432.498 2.669 50 0 IFAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc(Br)c1O ZINC000016806436 556644141 /nfs/dbraw/zinc/64/41/41/556644141.db2.gz FWMREIJGLVVDHQ-MRXNPFEDSA-N 0 0 446.253 2.807 50 0 IFAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cn2)cc1C ZINC000016841943 556646312 /nfs/dbraw/zinc/64/63/12/556646312.db2.gz TUUJEAIAMKGFHZ-UHFFFAOYSA-N 0 0 436.537 2.889 50 0 IFAARN COCCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000016861717 556647705 /nfs/dbraw/zinc/64/77/05/556647705.db2.gz LHOGJCDPVIGOAP-ZDUSSCGKSA-N 0 0 445.570 2.795 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1 ZINC000016899428 556648516 /nfs/dbraw/zinc/64/85/16/556648516.db2.gz LHLHIJGSQSQNKX-AWEZNQCLSA-N 0 0 445.444 2.794 50 0 IFAARN Cc1ccc(-n2nnc3c2ncnc3SCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000011758594 556653217 /nfs/dbraw/zinc/65/32/17/556653217.db2.gz HDGUQDOQGKLIKW-UHFFFAOYSA-N 0 0 434.481 2.656 50 0 IFAARN CCCc1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1 ZINC000011769913 556654193 /nfs/dbraw/zinc/65/41/93/556654193.db2.gz HEZYFDZPBBQDSC-IBGZPJMESA-N 0 0 445.589 2.977 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1[C@]1(C)NC(=O)NC1=O ZINC000032926326 556655454 /nfs/dbraw/zinc/65/54/54/556655454.db2.gz ZEMODIGXISNAFV-KRWDZBQOSA-N 0 0 443.403 2.569 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000032927343 556656315 /nfs/dbraw/zinc/65/63/15/556656315.db2.gz NHQVSYLIQOIGLK-KRWDZBQOSA-N 0 0 449.511 2.841 50 0 IFAARN O=C(Nc1ccc(F)cc1)NC1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 ZINC000032927734 556656546 /nfs/dbraw/zinc/65/65/46/556656546.db2.gz ZNTUZTKQLBRGFA-UHFFFAOYSA-N 0 0 445.472 2.907 50 0 IFAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(C(C)(C)C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000248020214 556657495 /nfs/dbraw/zinc/65/74/95/556657495.db2.gz LRFIXQKBCKBMST-NJSLBKSFSA-N 0 0 433.530 2.707 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)N(C)C3CCCCC3)CC2=O)c(OC)c1 ZINC000011834825 556659112 /nfs/dbraw/zinc/65/91/12/556659112.db2.gz TZBPECAYRZJJPF-CVEARBPZSA-N 0 0 432.517 2.780 50 0 IFAARN O=C(CCc1csc(NC(=O)c2cccs2)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000011834938 556659183 /nfs/dbraw/zinc/65/91/83/556659183.db2.gz NDOJHAREVOONPP-UHFFFAOYSA-N 0 0 444.538 2.967 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)N(C)C3CCCCC3)CC2=O)c(OC)c1 ZINC000011834822 556659231 /nfs/dbraw/zinc/65/92/31/556659231.db2.gz TZBPECAYRZJJPF-JKSUJKDBSA-N 0 0 432.517 2.780 50 0 IFAARN CCOc1ccccc1NC(=O)c1cc2c(n1Cc1ccccc1)n(C)c(=O)n(C)c2=O ZINC000011845015 556660490 /nfs/dbraw/zinc/66/04/90/556660490.db2.gz PMKBLDIMTDYQFW-UHFFFAOYSA-N 0 0 432.480 2.738 50 0 IFAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000033017181 556665267 /nfs/dbraw/zinc/66/52/67/556665267.db2.gz FXJFXXQILBEFSV-UHFFFAOYSA-N 0 0 438.557 2.754 50 0 IFAARN CCCn1c(SCC(=O)Nc2ccccc2)nnc1[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000017101625 556666118 /nfs/dbraw/zinc/66/61/18/556666118.db2.gz MVOUBALRVCJTLJ-OAHLLOKOSA-N 0 0 437.591 2.558 50 0 IFAARN CC(=O)N1CCN(C(=O)CCC(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000017153030 556670159 /nfs/dbraw/zinc/67/01/59/556670159.db2.gz CZMAGHBWMVHGLM-UHFFFAOYSA-N 0 0 442.512 2.739 50 0 IFAARN Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCCC1=CCCCC1 ZINC000011904696 556670638 /nfs/dbraw/zinc/67/06/38/556670638.db2.gz IKECGUWXOYUFRB-UHFFFAOYSA-N 0 0 426.560 2.539 50 0 IFAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000011906039 556671232 /nfs/dbraw/zinc/67/12/32/556671232.db2.gz RDBBFCUFOULURO-UHFFFAOYSA-N 0 0 432.882 2.655 50 0 IFAARN Cc1cccc(OCC(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000011914027 556673306 /nfs/dbraw/zinc/67/33/06/556673306.db2.gz PKTGMFPTJYAECH-CQSZACIVSA-N 0 0 442.331 2.945 50 0 IFAARN COc1cccc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000011914210 556673674 /nfs/dbraw/zinc/67/36/74/556673674.db2.gz PARSELTXEHVGGY-CYBMUJFWSA-N 0 0 428.304 2.880 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)c2cccn(OCc3cccc(C)c3)c2=O)n1 ZINC000017297082 556674894 /nfs/dbraw/zinc/67/48/94/556674894.db2.gz FHIHQRJYHRTNOQ-UHFFFAOYSA-N 0 0 427.482 2.600 50 0 IFAARN O=C(Nc1ccc(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1)c1ccccn1 ZINC000032932301 556675457 /nfs/dbraw/zinc/67/54/57/556675457.db2.gz SGTWNMZWPXUPQZ-GOSISDBHSA-N 0 0 439.493 2.756 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)NC[C@H](O)CO[C@H](C)c3ccccc3)c(C)n2n1 ZINC000032933039 556676422 /nfs/dbraw/zinc/67/64/22/556676422.db2.gz IQWACAZENFZMTA-AEFFLSMTSA-N 0 0 443.573 2.651 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)C(F)(F)c2ccccc2)c(=O)[nH]c1=O ZINC000032932086 556676937 /nfs/dbraw/zinc/67/69/37/556676937.db2.gz KRYQXVAMWLYUGT-UHFFFAOYSA-N 0 0 432.427 2.837 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1 ZINC000011963406 556677508 /nfs/dbraw/zinc/67/75/08/556677508.db2.gz ATCKDOIUHDPUFD-UHFFFAOYSA-N 0 0 430.457 2.578 50 0 IFAARN COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000044902132 556678142 /nfs/dbraw/zinc/67/81/42/556678142.db2.gz NNZYEONINWDNKQ-UHFFFAOYSA-N 0 0 430.935 2.708 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccccc1SC[C@]1(C)NC(=O)NC1=O ZINC000248289624 556678237 /nfs/dbraw/zinc/67/82/37/556678237.db2.gz JRRREXFUOOYERK-HLFMIMNKSA-N 0 0 447.557 2.713 50 0 IFAARN O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCc1ccccc1Cl ZINC000044903688 556679057 /nfs/dbraw/zinc/67/90/57/556679057.db2.gz SJUJEWRJNCLEAV-UHFFFAOYSA-N 0 0 437.931 2.540 50 0 IFAARN O=C1CN(C2CCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 ZINC000012000229 556679839 /nfs/dbraw/zinc/67/98/39/556679839.db2.gz HRWHBUXJMLSVBR-SJORKVTESA-N 0 0 427.364 2.596 50 0 IFAARN Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1 ZINC000012006477 556680612 /nfs/dbraw/zinc/68/06/12/556680612.db2.gz IBMNIIAWVXIZPX-OAHLLOKOSA-N 0 0 444.451 2.516 50 0 IFAARN Cc1cc(=O)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)nn1-c1ccccc1F ZINC000010622442 556681223 /nfs/dbraw/zinc/68/12/23/556681223.db2.gz KASRUEPUNJQHIS-HNNXBMFYSA-N 0 0 438.459 2.930 50 0 IFAARN C[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C[C@H](C)O1 ZINC000018090113 556683505 /nfs/dbraw/zinc/68/35/05/556683505.db2.gz XUFWPLOWDHKXCA-ISTVAULSSA-N 0 0 446.139 2.953 50 0 IFAARN C[C@H]1CN(Cc2ccccc2NC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H](C)O1 ZINC000071941187 556683811 /nfs/dbraw/zinc/68/38/11/556683811.db2.gz QTMIGRQWAODSSP-ROUUACIJSA-N 0 0 426.517 2.879 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](CC)Sc1nc(N)cc(=O)[nH]1)CCCC2 ZINC000018094085 556683854 /nfs/dbraw/zinc/68/38/54/556683854.db2.gz BCJNBDYXAOFBPN-NSHDSACASA-N 0 0 436.559 2.979 50 0 IFAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)c4ccccc4C)nn32)cc1OC ZINC000013527451 556684819 /nfs/dbraw/zinc/68/48/19/556684819.db2.gz LDKXPRFUCGNIQY-UHFFFAOYSA-N 0 0 433.468 2.926 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1)[C@H]1CCCO1 ZINC000018156148 556685268 /nfs/dbraw/zinc/68/52/68/556685268.db2.gz SSNLAAFOOCTZLD-BGYRXZFFSA-N 0 0 444.509 2.754 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)cc1 ZINC000033021577 556686013 /nfs/dbraw/zinc/68/60/13/556686013.db2.gz CWXHKHFGUVDCOK-HZPDHXFCSA-N 0 0 443.525 2.754 50 0 IFAARN C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000010635272 556686329 /nfs/dbraw/zinc/68/63/29/556686329.db2.gz SPBIBWHKZIVCPK-LLVKDONJSA-N 0 0 433.386 2.814 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCCCc4ccccc4)ccn3n2)cc1OC ZINC000046005147 556689391 /nfs/dbraw/zinc/68/93/91/556689391.db2.gz LKCUTKUNSUVVTG-UHFFFAOYSA-N 0 0 446.507 2.929 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O ZINC000046005218 556689397 /nfs/dbraw/zinc/68/93/97/556689397.db2.gz NSLJQLKIKMNYTE-UHFFFAOYSA-N 0 0 432.436 2.929 50 0 IFAARN COc1ccccc1CNC(=O)C[C@H](C)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005550 556689557 /nfs/dbraw/zinc/68/95/57/556689557.db2.gz PXLHDAZLGCXWJK-MRXNPFEDSA-N 0 0 449.486 2.913 50 0 IFAARN C[C@@H](CC(=O)NCCc1ccccc1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005521 556689611 /nfs/dbraw/zinc/68/96/11/556689611.db2.gz KIJLKJUZSYDXGV-QGZVFWFLSA-N 0 0 433.487 2.947 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3cc(-c4ccccc4)[nH]n3)ccc21 ZINC000024208867 556693239 /nfs/dbraw/zinc/69/32/39/556693239.db2.gz CGUDPCNPCBELHM-UHFFFAOYSA-N 0 0 439.493 2.829 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252666418 556693508 /nfs/dbraw/zinc/69/35/08/556693508.db2.gz BLDNSYRSCINTMS-IBGZPJMESA-N 0 0 440.546 2.868 50 0 IFAARN CCc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)nnn3[C@H](C)CC)cc1 ZINC000033023863 556694101 /nfs/dbraw/zinc/69/41/01/556694101.db2.gz YWYUKNYEDYQSOL-MRXNPFEDSA-N 0 0 443.573 2.902 50 0 IFAARN Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)s2)cc1 ZINC000033024534 556695488 /nfs/dbraw/zinc/69/54/88/556695488.db2.gz NHNZQUNGKMFXFL-UHFFFAOYSA-N 0 0 441.557 2.964 50 0 IFAARN CC(C)NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000033024573 556695844 /nfs/dbraw/zinc/69/58/44/556695844.db2.gz UHIOFFBYHSPZDR-UHFFFAOYSA-N 0 0 435.937 2.821 50 0 IFAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2cccc(F)c2)C1 ZINC000072314582 556702621 /nfs/dbraw/zinc/70/26/21/556702621.db2.gz QHKZGZWCDNLDIL-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccc(OC)cc2)C1 ZINC000072314589 556702796 /nfs/dbraw/zinc/70/27/96/556702796.db2.gz GRQHWEBVMRUGHQ-LJQANCHMSA-N 0 0 437.543 2.568 50 0 IFAARN COc1cccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)n2)c1 ZINC000049547624 556706371 /nfs/dbraw/zinc/70/63/71/556706371.db2.gz DFIZGJRQFYSYMI-UHFFFAOYSA-N 0 0 438.915 2.921 50 0 IFAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCc3ccccn3)c2)cc1 ZINC000033028146 556708566 /nfs/dbraw/zinc/70/85/66/556708566.db2.gz MONZECAAVXRDLS-UHFFFAOYSA-N 0 0 425.510 2.888 50 0 IFAARN O=C(N[C@H](CO)c1ccccc1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013689917 556711410 /nfs/dbraw/zinc/71/14/10/556711410.db2.gz CRVJKADYBFLZHF-QYGXFBIXSA-N 0 0 434.533 2.760 50 0 IFAARN COCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)cc1 ZINC000033032303 556712786 /nfs/dbraw/zinc/71/27/86/556712786.db2.gz HPYYFUMVNSICCH-UHFFFAOYSA-N 0 0 430.461 2.885 50 0 IFAARN C[C@@H]1CN([C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C[C@@H](C)O1 ZINC000138496092 556715277 /nfs/dbraw/zinc/71/52/77/556715277.db2.gz XUFWPLOWDHKXCA-RULNRJAQSA-N 0 0 446.139 2.953 50 0 IFAARN C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1=O ZINC000060346609 556716307 /nfs/dbraw/zinc/71/63/07/556716307.db2.gz VNDDUBRBLRDWAA-NRFANRHFSA-N 0 0 446.960 2.513 50 0 IFAARN COc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Br)cc2)N2CCCN32)c1 ZINC000138554473 556718889 /nfs/dbraw/zinc/71/88/89/556718889.db2.gz NEQYFFVJHRIPRS-IPMKNSEASA-N 0 0 442.313 2.993 50 0 IFAARN COc1ccc(NC(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1OC ZINC000033037525 556722409 /nfs/dbraw/zinc/72/24/09/556722409.db2.gz UJPHSDYPVINSGF-UHFFFAOYSA-N 0 0 449.511 2.994 50 0 IFAARN COc1ccccc1N1C[C@@H](C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)CC1=O ZINC000005192108 556723600 /nfs/dbraw/zinc/72/36/00/556723600.db2.gz SBZANOSMZBLOIR-JNYXMARXSA-N 0 0 426.513 2.676 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4c(s3)CCCC4)n2)cc1OC ZINC000061717570 556723961 /nfs/dbraw/zinc/72/39/61/556723961.db2.gz FVHAIXZQASIKTA-UHFFFAOYSA-N 0 0 426.498 2.902 50 0 IFAARN O=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1CC(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000061718272 556724600 /nfs/dbraw/zinc/72/46/00/556724600.db2.gz DJLOAKQZFJRAHW-GFCCVEGCSA-N 0 0 444.369 2.716 50 0 IFAARN O=C(c1cnc2ccc(F)cc2c1N1CCN(c2ncccn2)CC1)N1CCSCC1 ZINC000072328427 556725546 /nfs/dbraw/zinc/72/55/46/556725546.db2.gz CRLNAMNCPIOTQM-UHFFFAOYSA-N 0 0 438.532 2.680 50 0 IFAARN CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 ZINC000053537260 556726665 /nfs/dbraw/zinc/72/66/65/556726665.db2.gz VHSYKTWXCYMHSE-IBGZPJMESA-N 0 0 443.910 2.705 50 0 IFAARN O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000071325808 556728929 /nfs/dbraw/zinc/72/89/29/556728929.db2.gz LYMVZQRFTFKRAR-GOSISDBHSA-N 0 0 430.888 2.913 50 0 IFAARN COc1ccccc1NC(=O)COC(=O)COc1ccc(I)cc1 ZINC000072330983 556728935 /nfs/dbraw/zinc/72/89/35/556728935.db2.gz HHWHXKKHUUVMDU-UHFFFAOYSA-N 0 0 441.221 2.861 50 0 IFAARN CCOc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4OC)CC3)n2)cc1 ZINC000054146947 556729255 /nfs/dbraw/zinc/72/92/55/556729255.db2.gz CKZJEWQPKVUNMB-UHFFFAOYSA-N 0 0 435.532 2.927 50 0 IFAARN COc1ccc(CCNC(=O)c2cccn2-c2nnc(N3CCCC3)s2)c(OC)c1 ZINC000033039597 556731255 /nfs/dbraw/zinc/73/12/55/556731255.db2.gz CFWKFYLTPYLKKM-UHFFFAOYSA-N 0 0 427.530 2.919 50 0 IFAARN COc1cccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)c1 ZINC000055060723 556732968 /nfs/dbraw/zinc/73/29/68/556732968.db2.gz YNPHSZDZNBZAJY-FQEVSTJZSA-N 0 0 433.911 2.837 50 0 IFAARN COC(=O)[C@@H]1CCCN1Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 ZINC000055119673 556735376 /nfs/dbraw/zinc/73/53/76/556735376.db2.gz HDTPYRARXRYQHF-KRWDZBQOSA-N 0 0 426.542 2.848 50 0 IFAARN Nc1noc(CCNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)n1 ZINC000078903518 556736337 /nfs/dbraw/zinc/73/63/37/556736337.db2.gz JPZZYJLJUSGOIQ-UHFFFAOYSA-N 0 0 437.529 2.810 50 0 IFAARN COc1ccc(CNC(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)cc1OC ZINC000079104040 556737323 /nfs/dbraw/zinc/73/73/23/556737323.db2.gz IRZJOBRSFUDDBT-UHFFFAOYSA-N 0 0 431.537 2.802 50 0 IFAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000013792468 556738289 /nfs/dbraw/zinc/73/82/89/556738289.db2.gz BMAOKSMUJIOJTE-HNNXBMFYSA-N 0 0 433.511 2.669 50 0 IFAARN CS(=O)(=O)c1ncc(CN2CCC(Oc3ccccc3F)CC2)n1C[C@@H]1CCCO1 ZINC000055252677 556739075 /nfs/dbraw/zinc/73/90/75/556739075.db2.gz VKAKJSMCMVTHHW-SFHVURJKSA-N 0 0 437.537 2.648 50 0 IFAARN O=C(NCCCN1CCOCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000019342306 556740351 /nfs/dbraw/zinc/74/03/51/556740351.db2.gz YWRWOUPZQLBPPN-QFIPXVFZSA-N 0 0 429.542 2.506 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000013798503 556741471 /nfs/dbraw/zinc/74/14/71/556741471.db2.gz WQFVITGSNVZUSG-UHFFFAOYSA-N 0 0 433.917 2.941 50 0 IFAARN CC[C@@H](OC(=O)[C@H](CCSC)NC(=O)c1ccccc1)C(=O)Nc1nnc(C)s1 ZINC000005225787 556744799 /nfs/dbraw/zinc/74/47/99/556744799.db2.gz FJXSUUDNDQGLGD-LSDHHAIUSA-N 0 0 436.559 2.659 50 0 IFAARN O=C(C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1)N1CCC2(CC1)OCCO2 ZINC000033048781 556744971 /nfs/dbraw/zinc/74/49/71/556744971.db2.gz SPKJDOIWMUUEEQ-UHFFFAOYSA-N 0 0 447.539 2.978 50 0 IFAARN CCN(Cc1ccccc1)C(=O)COC(=O)Cc1c(C)nc2nc(SC)nn2c1C ZINC000019356633 556745175 /nfs/dbraw/zinc/74/51/75/556745175.db2.gz MJTFOMVNSPXWEX-UHFFFAOYSA-N 0 0 427.530 2.597 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CSc2nnnn2-c2cccc(Cl)c2)CC1 ZINC000019360095 556745646 /nfs/dbraw/zinc/74/56/46/556745646.db2.gz TXEHNHLANIQMCN-UHFFFAOYSA-N 0 0 444.948 2.765 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SC[C@@H]1CCCCO1 ZINC000005254492 556747288 /nfs/dbraw/zinc/74/72/88/556747288.db2.gz SNNUFABNGQPDPN-HNNXBMFYSA-N 0 0 425.576 2.738 50 0 IFAARN COc1ccccc1CNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000206244113 556748937 /nfs/dbraw/zinc/74/89/37/556748937.db2.gz KFRRNCYSWBMJBN-HXUWFJFHSA-N 0 0 434.496 2.736 50 0 IFAARN C[C@@H](CN1CCCC1=O)NC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000058002845 556752100 /nfs/dbraw/zinc/75/21/00/556752100.db2.gz FHEOUVKVPQJUIU-ZDUSSCGKSA-N 0 0 442.447 2.939 50 0 IFAARN O=C(NCc1ccc(Cn2cncn2)cc1)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000058016970 556754002 /nfs/dbraw/zinc/75/40/02/556754002.db2.gz MVDVIDLVGFGFER-OAQYLSRUSA-N 0 0 446.536 2.639 50 0 IFAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000058054881 556755590 /nfs/dbraw/zinc/75/55/90/556755590.db2.gz OLVZNJZXTVTYBV-CYBMUJFWSA-N 0 0 434.403 2.749 50 0 IFAARN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000058139757 556761118 /nfs/dbraw/zinc/76/11/18/556761118.db2.gz HYTHEVIYSNDMSN-APWZRJJASA-N 0 0 448.614 2.715 50 0 IFAARN COc1ccc(Cc2nnc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)s2)cc1 ZINC000062001441 556764346 /nfs/dbraw/zinc/76/43/46/556764346.db2.gz ICMOJEHIFSRVKX-MPGHIAIKSA-N 0 0 447.586 2.802 50 0 IFAARN CCN(CC(=O)Nc1ccc(C(C)=O)cc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000058160564 556764380 /nfs/dbraw/zinc/76/43/80/556764380.db2.gz MCXOXDQRIHGBRW-UHFFFAOYSA-N 0 0 438.484 2.604 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2snc(C(=O)N3CCCC3)c2N)CC1 ZINC000062006805 556764871 /nfs/dbraw/zinc/76/48/71/556764871.db2.gz SNIJWQNUIIWAGM-UHFFFAOYSA-N 0 0 433.965 2.886 50 0 IFAARN C[C@@H]1CN(Cc2cccc(CNC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c2)CCO1 ZINC000058162296 556765796 /nfs/dbraw/zinc/76/57/96/556765796.db2.gz AAYDAVYVMASOAP-HYBUGGRVSA-N 0 0 435.568 2.615 50 0 IFAARN O=C(Nc1ccc(-n2cncn2)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000058163559 556766158 /nfs/dbraw/zinc/76/61/58/556766158.db2.gz JENBDMALCWIPTC-CYBMUJFWSA-N 0 0 439.859 2.684 50 0 IFAARN O=C(NCCn1nc(-c2ccco2)ccc1=O)C1CN(c2nc3c(cccc3F)s2)C1 ZINC000062023154 556766595 /nfs/dbraw/zinc/76/65/95/556766595.db2.gz CHZVGLYJVDWNNY-UHFFFAOYSA-N 0 0 439.472 2.505 50 0 IFAARN COc1ccc2nc(N3CC(C(=O)Nc4cccc(NS(C)(=O)=O)c4)C3)sc2c1 ZINC000062023132 556766649 /nfs/dbraw/zinc/76/66/49/556766649.db2.gz AORDHGIPALLYFB-UHFFFAOYSA-N 0 0 432.527 2.751 50 0 IFAARN O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000058175091 556769182 /nfs/dbraw/zinc/76/91/82/556769182.db2.gz AVBRDHJMLZKIGJ-UHFFFAOYSA-N 0 0 437.481 2.650 50 0 IFAARN O=C(CCCNC(=O)c1cccs1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000058180397 556770347 /nfs/dbraw/zinc/77/03/47/556770347.db2.gz YIHIOQYHRBJIFM-UHFFFAOYSA-N 0 0 435.509 2.755 50 0 IFAARN CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O ZINC000058179884 556770350 /nfs/dbraw/zinc/77/03/50/556770350.db2.gz DTAAFQOTRZHZDO-LJQANCHMSA-N 0 0 435.527 2.954 50 0 IFAARN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000058209204 556771632 /nfs/dbraw/zinc/77/16/32/556771632.db2.gz ZPVWLOUUMFVEKC-YXBWYFRISA-N 0 0 429.586 2.755 50 0 IFAARN O=C(NCc1cc(Br)ccc1F)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000058283374 556777452 /nfs/dbraw/zinc/77/74/52/556777452.db2.gz AOHLRMDZDKLNFX-DOTOQJQBSA-N 0 0 439.256 2.619 50 0 IFAARN COc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000011178672 556778614 /nfs/dbraw/zinc/77/86/14/556778614.db2.gz QBNBTHYKTZECHH-UHFFFAOYSA-N 0 0 444.553 2.568 50 0 IFAARN COC(=O)CN(CC(=O)OC)Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S ZINC000058305222 556778847 /nfs/dbraw/zinc/77/88/47/556778847.db2.gz OWJGYEDKCKPBNR-UHFFFAOYSA-N 0 0 446.554 2.796 50 0 IFAARN Cc1ncc(CN(C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000058308106 556779330 /nfs/dbraw/zinc/77/93/30/556779330.db2.gz DRGVAVDQJDJKQB-ZIAGYGMSSA-N 0 0 438.575 2.913 50 0 IFAARN Cc1ccc(S(=O)(=O)C2(C(=O)NC[C@H](C(C)C)N3CCN(C)CC3)CCCC2)cc1C ZINC000058314642 556780435 /nfs/dbraw/zinc/78/04/35/556780435.db2.gz MHGCOFCQVWRADG-JOCHJYFZSA-N 0 0 449.661 2.778 50 0 IFAARN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCNC(=O)c1ccc(C)c(F)c1 ZINC000058355496 556782482 /nfs/dbraw/zinc/78/24/82/556782482.db2.gz HKVZAOLCFGISBY-AOMKIAJQSA-N 0 0 439.531 2.980 50 0 IFAARN O=C([C@H]1CSCN1S(=O)(=O)c1ccccc1-c1ccccc1)N1CCSCC1 ZINC000058363151 556782955 /nfs/dbraw/zinc/78/29/55/556782955.db2.gz JJMRPUMYSOHZMK-GOSISDBHSA-N 0 0 434.608 2.993 50 0 IFAARN O=C(COc1ccc2ccccc2c1Br)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000058379124 556784240 /nfs/dbraw/zinc/78/42/40/556784240.db2.gz MXYZFFGFUKIZIJ-SFHVURJKSA-N 0 0 447.329 2.831 50 0 IFAARN Cc1nc2ccccc2nc1CS(=O)(=O)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000058379656 556784274 /nfs/dbraw/zinc/78/42/74/556784274.db2.gz AENUCVWCEXPYEQ-RDJZCZTQSA-N 0 0 425.510 2.882 50 0 IFAARN Cc1ccc(S(=O)(=O)C2(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)CCC2)cc1 ZINC000058434054 556788251 /nfs/dbraw/zinc/78/82/51/556788251.db2.gz DVWRULVDDLBZNE-UHFFFAOYSA-N 0 0 432.586 2.943 50 0 IFAARN O=C(NCCN1CCS(=O)(=O)CC1)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000058441337 556789204 /nfs/dbraw/zinc/78/92/04/556789204.db2.gz LXZIZZBZIOBARY-UHFFFAOYSA-N 0 0 441.578 2.937 50 0 IFAARN CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1=O ZINC000058558584 556790093 /nfs/dbraw/zinc/79/00/93/556790093.db2.gz ADIXPZYYFNDBMW-CQSZACIVSA-N 0 0 427.432 2.739 50 0 IFAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000058908666 556792750 /nfs/dbraw/zinc/79/27/50/556792750.db2.gz LIGSNTJAXNPFTO-UHFFFAOYSA-N 0 0 436.493 2.590 50 0 IFAARN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000058982837 556793760 /nfs/dbraw/zinc/79/37/60/556793760.db2.gz LPGLDRJEMUPJMJ-UHFFFAOYSA-N 0 0 440.475 2.863 50 0 IFAARN COc1ccc(-n2ncc(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)c2C(F)(F)F)nn1 ZINC000059019584 556794350 /nfs/dbraw/zinc/79/43/50/556794350.db2.gz MHFUAFOSNUAXBP-UHFFFAOYSA-N 0 0 448.283 2.649 50 0 IFAARN COc1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000019549864 556795008 /nfs/dbraw/zinc/79/50/08/556795008.db2.gz DGNBCWAIKPMVHN-UHFFFAOYSA-N 0 0 440.949 2.872 50 0 IFAARN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000059278771 556797068 /nfs/dbraw/zinc/79/70/68/556797068.db2.gz VEVASABUXIEJLJ-UHFFFAOYSA-N 0 0 428.880 2.849 50 0 IFAARN Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)nn2)n1 ZINC000062163988 556797810 /nfs/dbraw/zinc/79/78/10/556797810.db2.gz LSFYHLTUTTWWPP-QGZVFWFLSA-N 0 0 434.500 2.905 50 0 IFAARN CCOC(=O)[C@@]1(C#N)[C@H]2C=CC(C(C)=O)=CN2[C@@H](C(N)=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000043701744 556798539 /nfs/dbraw/zinc/79/85/39/556798539.db2.gz SHYFJMRMOTUTMX-IKVWTGGYSA-N 0 0 448.306 2.731 50 0 IFAARN COC(=O)C[C@@H](NC(=O)c1c(C)nn2c1nc(C)cc2C)c1ccc(OC)c(OC)c1 ZINC000059364779 556798808 /nfs/dbraw/zinc/79/88/08/556798808.db2.gz DNGLIYRWMKYKGM-MRXNPFEDSA-N 0 0 426.473 2.706 50 0 IFAARN COC(=O)C[C@H](NC(=O)c1c(C)nn2c1nc(C)cc2C)c1ccc(OC)c(OC)c1 ZINC000059364777 556798829 /nfs/dbraw/zinc/79/88/29/556798829.db2.gz DNGLIYRWMKYKGM-INIZCTEOSA-N 0 0 426.473 2.706 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)n2N)cc1 ZINC000002629545 556801151 /nfs/dbraw/zinc/80/11/51/556801151.db2.gz ALUCUTJDMAWXSF-UHFFFAOYSA-N 0 0 435.412 2.720 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1 ZINC000059759773 556804156 /nfs/dbraw/zinc/80/41/56/556804156.db2.gz XTBKMIPXCVFPRS-UHFFFAOYSA-N 0 0 438.594 2.829 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2nnc(CC(C)C)s2)C(C)C)cc1 ZINC000059873860 556805169 /nfs/dbraw/zinc/80/51/69/556805169.db2.gz QQDJMHKDWIBUPX-INIZCTEOSA-N 0 0 426.564 2.687 50 0 IFAARN CCCn1c2ccccc2n(CCC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1=O ZINC000059935755 556805524 /nfs/dbraw/zinc/80/55/24/556805524.db2.gz VWNJLLNLHXFOAX-QFIPXVFZSA-N 0 0 449.555 2.692 50 0 IFAARN Cc1nn(CC(=O)NCc2ccco2)c(=O)c2c1nn(-c1cccc(F)c1)c2-n1cccc1 ZINC000033058101 556807509 /nfs/dbraw/zinc/80/75/09/556807509.db2.gz YEQCJOCAXKSEDD-UHFFFAOYSA-N 0 0 446.442 2.730 50 0 IFAARN Cc1nn(CC(=O)NCCc2ccco2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033057809 556807818 /nfs/dbraw/zinc/80/78/18/556807818.db2.gz VDMWTHUOGOKGCR-UHFFFAOYSA-N 0 0 442.479 2.633 50 0 IFAARN O=C(c1c[nH]nc1-c1ccc(S(=O)(=O)NCCc2ccccc2)o1)N1CCCCC1 ZINC000097940813 556811191 /nfs/dbraw/zinc/81/11/91/556811191.db2.gz KNZQHGGMWXEDSC-UHFFFAOYSA-N 0 0 428.514 2.817 50 0 IFAARN COc1cccc(CNC(=O)N2CCc3[nH]c4cc(-c5ccccc5)nn4c(=O)c3C2)c1 ZINC000097942090 556812725 /nfs/dbraw/zinc/81/27/25/556812725.db2.gz CKGPSVWZNIVZCR-UHFFFAOYSA-N 0 0 429.480 2.966 50 0 IFAARN Cc1ccc(C)c(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)c1 ZINC000097943460 556813002 /nfs/dbraw/zinc/81/30/02/556813002.db2.gz RCKWIVSPAKROOX-QFIPXVFZSA-N 0 0 445.523 2.765 50 0 IFAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccc(F)cc5)CC4)c3CO2)cc1 ZINC000097943624 556813273 /nfs/dbraw/zinc/81/32/73/556813273.db2.gz DBNQVCCEGIWQRS-OAQYLSRUSA-N 0 0 449.486 2.595 50 0 IFAARN CC[C@H](C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)CC1 ZINC000097943690 556813505 /nfs/dbraw/zinc/81/35/05/556813505.db2.gz DMPGKTZKSSSLSK-JXFKEZNVSA-N 0 0 425.533 2.625 50 0 IFAARN CCCCNC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)CC1 ZINC000097943704 556813671 /nfs/dbraw/zinc/81/36/71/556813671.db2.gz NFPCQDCQGQLTTR-FQEVSTJZSA-N 0 0 425.533 2.627 50 0 IFAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCCn2ccc3ccc(F)cc32)n1 ZINC000072402381 556815710 /nfs/dbraw/zinc/81/57/10/556815710.db2.gz IQAACSBFIGMZEL-UHFFFAOYSA-N 0 0 438.434 2.968 50 0 IFAARN CCn1nc(C)c(CCNC(=O)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)c1C ZINC000033060157 556816532 /nfs/dbraw/zinc/81/65/32/556816532.db2.gz YLFQUXNUXHDSSJ-UHFFFAOYSA-N 0 0 428.518 2.605 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccccc2F)c(=O)[nH]c1=O ZINC000003565741 556817697 /nfs/dbraw/zinc/81/76/97/556817697.db2.gz ZSDARLUGIZFEAG-UHFFFAOYSA-N 0 0 440.475 2.914 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1C ZINC000003587669 556817955 /nfs/dbraw/zinc/81/79/55/556817955.db2.gz JCUOBRDZXARBNS-UHFFFAOYSA-N 0 0 432.498 2.658 50 0 IFAARN C[C@H](Cc1ccco1)NC(=O)CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000033063058 556818508 /nfs/dbraw/zinc/81/85/08/556818508.db2.gz VMIJKEXVAQTHEU-CYBMUJFWSA-N 0 0 437.905 2.970 50 0 IFAARN Cc1cn2nc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c(=O)[nH]1 ZINC000206645490 556825191 /nfs/dbraw/zinc/82/51/91/556825191.db2.gz VBUJEPQPHWITBZ-UHFFFAOYSA-N 0 0 427.508 2.878 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCCN([C@H]3CCN(Cc4ccccc4)C3=O)CC2)c1 ZINC000097945165 556826785 /nfs/dbraw/zinc/82/67/85/556826785.db2.gz BPYDOUWCAKXKFN-QHCPKHFHSA-N 0 0 437.540 2.653 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)c1 ZINC000064893053 556828242 /nfs/dbraw/zinc/82/82/42/556828242.db2.gz NYRZZCAJQZUQGY-UHFFFAOYSA-N 0 0 434.496 2.566 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)N2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc1 ZINC000064893626 556828643 /nfs/dbraw/zinc/82/86/43/556828643.db2.gz FNDIUHRNLHWSIX-UHFFFAOYSA-N 0 0 439.516 2.813 50 0 IFAARN CCn1ncc(Cn2cc(NC(=S)Nc3cnn(COCC(F)(F)F)c3)cn2)c1C ZINC000019635717 556835016 /nfs/dbraw/zinc/83/50/16/556835016.db2.gz DLCQPVMGAZAYLF-UHFFFAOYSA-N 0 0 442.471 2.998 50 0 IFAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1cccc(-c3ccc(=O)[nH]n3)c1)C2=O ZINC000062580349 556836185 /nfs/dbraw/zinc/83/61/85/556836185.db2.gz QHMYISDXHPOZEJ-FATZIPQQSA-N 0 0 437.500 2.512 50 0 IFAARN CN(C(=O)COc1ccc2occ(C(=O)c3ccsc3)c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000334160401 556836488 /nfs/dbraw/zinc/83/64/88/556836488.db2.gz DBQUFVYAOQAKON-AWEZNQCLSA-N 0 0 433.507 2.750 50 0 IFAARN CC1=CC(C)(C)N(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c2cc3c(cc21)OCO3 ZINC000334160994 556837054 /nfs/dbraw/zinc/83/70/54/556837054.db2.gz QLNXUZMVLOHPQG-UHFFFAOYSA-N 0 0 437.496 2.995 50 0 IFAARN Cc1cc(C)nc(S[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000334160816 556837065 /nfs/dbraw/zinc/83/70/65/556837065.db2.gz MXKRWDIHDODKDL-IBGZPJMESA-N 0 0 442.566 2.891 50 0 IFAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3cnn(C)c3C)C1[C@H](c1cnn(C)c1C)O2 ZINC000019640683 556837113 /nfs/dbraw/zinc/83/71/13/556837113.db2.gz AJYGEGYIHBRYLL-YADHBBJMSA-N 0 0 444.499 2.930 50 0 IFAARN O=C(/C=C\c1ccc(OC(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000096602524 556838022 /nfs/dbraw/zinc/83/80/22/556838022.db2.gz KFJLAEAWWOXFSY-TWGQIWQCSA-N 0 0 438.452 2.961 50 0 IFAARN COCCN(Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000033069006 556838880 /nfs/dbraw/zinc/83/88/80/556838880.db2.gz KUWCZXITCKZKRS-UHFFFAOYSA-N 0 0 433.530 2.739 50 0 IFAARN Cc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000096786387 556842821 /nfs/dbraw/zinc/84/28/21/556842821.db2.gz CMJBRAWVEOFHOE-ATVHPVEESA-N 0 0 427.570 2.572 50 0 IFAARN Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nn2)n1 ZINC000067601847 556843354 /nfs/dbraw/zinc/84/33/54/556843354.db2.gz HCYGLHYWBIMPMO-UHFFFAOYSA-N 0 0 446.483 2.713 50 0 IFAARN CCCOc1ccc(OCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 ZINC000023011047 556848204 /nfs/dbraw/zinc/84/82/04/556848204.db2.gz VDEPAGOJRVKSRF-UHFFFAOYSA-N 0 0 427.501 2.764 50 0 IFAARN COc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1Br ZINC000023012411 556848300 /nfs/dbraw/zinc/84/83/00/556848300.db2.gz ISIOHYPOEKFIRB-UHFFFAOYSA-N 0 0 448.317 2.981 50 0 IFAARN CCn1nc(C(=O)OCC(=O)Nc2ccccc2Br)c2ccccc2c1=O ZINC000008807073 556848777 /nfs/dbraw/zinc/84/87/77/556848777.db2.gz CSHTZUITSKCSTO-UHFFFAOYSA-N 0 0 430.258 2.974 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)NC(=O)NCCC1=CCCCC1 ZINC000008942829 556853042 /nfs/dbraw/zinc/85/30/42/556853042.db2.gz JHNWOCZPSJOIEK-NRFANRHFSA-N 0 0 430.530 2.548 50 0 IFAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N(C)CC(=O)NCc3ccccc3Cl)c2)no1 ZINC000033077024 556854206 /nfs/dbraw/zinc/85/42/06/556854206.db2.gz PQWUZXNDAGHRTR-UHFFFAOYSA-N 0 0 448.932 2.944 50 0 IFAARN Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)cc2)no1 ZINC000033077040 556854302 /nfs/dbraw/zinc/85/43/02/556854302.db2.gz ZFTVXUZFRCGSSX-UHFFFAOYSA-N 0 0 448.479 2.942 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(ccc(=O)n3CC(=O)NC3CCCCC3)c2)CC1 ZINC000033077270 556854520 /nfs/dbraw/zinc/85/45/20/556854520.db2.gz NRCUYHVKJGPRKJ-UHFFFAOYSA-N 0 0 445.585 2.871 50 0 IFAARN CCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)NCc4ccco4)CC3)c2)no1 ZINC000033086560 556857294 /nfs/dbraw/zinc/85/72/94/556857294.db2.gz QHXWGLRNWCACNF-UHFFFAOYSA-N 0 0 444.513 2.609 50 0 IFAARN COc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)NC[C@@H]4CCCO4)C3)s2)cc1 ZINC000033113152 556859684 /nfs/dbraw/zinc/85/96/84/556859684.db2.gz ALBFXMBTMCCEAN-YOEHRIQHSA-N 0 0 445.545 2.867 50 0 IFAARN COCCNC(=O)c1ccc(OCc2nnc(C(=O)Nc3ccccc3F)s2)cc1 ZINC000033114320 556861284 /nfs/dbraw/zinc/86/12/84/556861284.db2.gz GMQLLQSSYYFNAL-UHFFFAOYSA-N 0 0 430.461 2.885 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c(OC)c1 ZINC000033125438 556866568 /nfs/dbraw/zinc/86/65/68/556866568.db2.gz NXHNWAOYWFZKGD-QGZVFWFLSA-N 0 0 437.496 2.950 50 0 IFAARN CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)NCCc3cccs3)cc21 ZINC000033129806 556869181 /nfs/dbraw/zinc/86/91/81/556869181.db2.gz ZHGLBBJICSUMOB-UHFFFAOYSA-N 0 0 447.626 2.989 50 0 IFAARN CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)NCc3cccs3)cc21 ZINC000033129780 556869225 /nfs/dbraw/zinc/86/92/25/556869225.db2.gz ATTHKELGWVAYSR-UHFFFAOYSA-N 0 0 433.599 2.947 50 0 IFAARN Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)o1 ZINC000033129790 556869289 /nfs/dbraw/zinc/86/92/89/556869289.db2.gz LYISVVNSFBLHJR-UHFFFAOYSA-N 0 0 431.558 2.787 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1cccc(Cl)c1C)C(=O)NCc1cscn1 ZINC000033139006 556872767 /nfs/dbraw/zinc/87/27/67/556872767.db2.gz XROHXWUKCZBWKH-AWEZNQCLSA-N 0 0 434.008 2.821 50 0 IFAARN O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000011226620 556875382 /nfs/dbraw/zinc/87/53/82/556875382.db2.gz OEMFNKSNFWUNBQ-UHFFFAOYSA-N 0 0 442.459 2.585 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccc(C)c2)c1=O ZINC000033141000 556877173 /nfs/dbraw/zinc/87/71/73/556877173.db2.gz GWGZWLAOQWOHGF-UHFFFAOYSA-N 0 0 427.530 2.577 50 0 IFAARN O=C(NCCCN1CCOCC1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168806 556880852 /nfs/dbraw/zinc/88/08/52/556880852.db2.gz GLIYVUCKGNGWAW-LJQANCHMSA-N 0 0 441.601 2.683 50 0 IFAARN COc1ccc(CNC(=O)c2nsc(C(=O)NCc3cc(F)cc(F)c3)c2N)cc1 ZINC000033171904 556882760 /nfs/dbraw/zinc/88/27/60/556882760.db2.gz VRQWPIZJDSOCHP-UHFFFAOYSA-N 0 0 432.452 2.872 50 0 IFAARN CCOc1cccc(CNC(=O)c2snc(C(=O)NCc3cccc(OC)c3)c2N)c1 ZINC000033171938 556882792 /nfs/dbraw/zinc/88/27/92/556882792.db2.gz JJUNSRLIKKRDNY-UHFFFAOYSA-N 0 0 440.525 2.993 50 0 IFAARN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc2c(n1)OCCN2C(=O)C(C)(C)C ZINC000071765653 556887477 /nfs/dbraw/zinc/88/74/77/556887477.db2.gz KEFLLIICCJUNDI-GJZGRUSLSA-N 0 0 447.532 2.977 50 0 IFAARN CCn1c(=O)c(N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)nc2cccnc21 ZINC000033258942 556896648 /nfs/dbraw/zinc/89/66/48/556896648.db2.gz FMYWBMCEISXRGU-UHFFFAOYSA-N 0 0 444.539 2.868 50 0 IFAARN COCCCNC(=O)[C@@H]1CCCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)C1 ZINC000033259712 556899092 /nfs/dbraw/zinc/89/90/92/556899092.db2.gz CMNRMIANXLPMBB-HXUWFJFHSA-N 0 0 449.555 2.517 50 0 IFAARN [NH3+]C[C@@H]1Cc2cc(-c3cc(C(=O)[O-])cc(S(=O)(=O)N4CCCCCC4)c3)ccc2O1 ZINC000072143927 556899636 /nfs/dbraw/zinc/89/96/36/556899636.db2.gz CBIRQTZFFXAHNZ-IBGZPJMESA-N 0 0 430.526 2.879 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1Cl ZINC000033261938 556899868 /nfs/dbraw/zinc/89/98/68/556899868.db2.gz YTXJYOPPFPVLTO-QGZVFWFLSA-N 0 0 449.916 2.771 50 0 IFAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)cc1 ZINC000033262195 556900306 /nfs/dbraw/zinc/90/03/06/556900306.db2.gz HYHQVAKHHOZYLS-QGZVFWFLSA-N 0 0 428.514 2.695 50 0 IFAARN O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)s1 ZINC000033263547 556901995 /nfs/dbraw/zinc/90/19/95/556901995.db2.gz ANCILMGSUNADDN-ZDUSSCGKSA-N 0 0 447.948 2.918 50 0 IFAARN O=C(NCCN1CCOCC1)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000019774409 556913478 /nfs/dbraw/zinc/91/34/78/556913478.db2.gz RVELTZDQQNXIKK-UHFFFAOYSA-N 0 0 437.397 2.616 50 0 IFAARN COc1cc(CN2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)cc2c1OCO2 ZINC000019781738 556913724 /nfs/dbraw/zinc/91/37/24/556913724.db2.gz DVGMYJLDWVVHDT-UHFFFAOYSA-N 0 0 430.501 2.768 50 0 IFAARN CN1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000019800408 556917428 /nfs/dbraw/zinc/91/74/28/556917428.db2.gz IMDNEMPNSSEQKM-UHFFFAOYSA-N 0 0 442.368 2.963 50 0 IFAARN CN1CCN(C(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000019811952 556919442 /nfs/dbraw/zinc/91/94/42/556919442.db2.gz DWPVSVRWKWNONE-UHFFFAOYSA-N 0 0 442.368 2.963 50 0 IFAARN O=C(C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019817566 556920501 /nfs/dbraw/zinc/92/05/01/556920501.db2.gz LGMMLZHDHGLVGR-QAPCUYQASA-N 0 0 434.452 2.861 50 0 IFAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccccc1Br ZINC000019819736 556923049 /nfs/dbraw/zinc/92/30/49/556923049.db2.gz FJCDWMKCYDOLAZ-QGZVFWFLSA-N 0 0 433.302 2.981 50 0 IFAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccccc1Br ZINC000019819738 556923134 /nfs/dbraw/zinc/92/31/34/556923134.db2.gz FJCDWMKCYDOLAZ-KRWDZBQOSA-N 0 0 433.302 2.981 50 0 IFAARN CCN1C(=O)[C@H](CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)N(CC)C1=O ZINC000019831845 556927053 /nfs/dbraw/zinc/92/70/53/556927053.db2.gz DZZGDINALYXFNO-QFIPXVFZSA-N 0 0 448.567 2.983 50 0 IFAARN O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000019839971 556929369 /nfs/dbraw/zinc/92/93/69/556929369.db2.gz IZZSPNLMJVEZSB-NRFANRHFSA-N 0 0 427.589 2.576 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 ZINC000019862523 556933976 /nfs/dbraw/zinc/93/39/76/556933976.db2.gz UIOASPAJODQJFQ-KRWDZBQOSA-N 0 0 434.489 2.793 50 0 IFAARN O=S(=O)(c1cccc2nonc21)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019880313 556936925 /nfs/dbraw/zinc/93/69/25/556936925.db2.gz FKLXJEFFSAMJMM-UHFFFAOYSA-N 0 0 427.408 2.538 50 0 IFAARN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 ZINC000019891986 556939479 /nfs/dbraw/zinc/93/94/79/556939479.db2.gz SEVVRRRLBPTNBY-RTWAWAEBSA-N 0 0 442.512 2.934 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000019899226 556941432 /nfs/dbraw/zinc/94/14/32/556941432.db2.gz BZDPAWXWZLWUBU-UHFFFAOYSA-N 0 0 433.516 2.552 50 0 IFAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)c1C ZINC000019938276 556952093 /nfs/dbraw/zinc/95/20/93/556952093.db2.gz KZWTXWUKNDLIPH-UHFFFAOYSA-N 0 0 445.585 2.865 50 0 IFAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCN(C)C3 ZINC000019939782 556953340 /nfs/dbraw/zinc/95/33/40/556953340.db2.gz CFKKKUALHNBZGS-UHFFFAOYSA-N 0 0 431.539 2.709 50 0 IFAARN C(Nc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)[C@H]1CCCO1 ZINC000019940233 556953619 /nfs/dbraw/zinc/95/36/19/556953619.db2.gz GYKZRVSVHMRZFB-CYBMUJFWSA-N 0 0 426.546 2.941 50 0 IFAARN CCOC(=O)[C@@](NCCc1ccc(OC)c(OC)c1)(NC(=O)c1ccco1)C(F)(F)F ZINC000019939972 556953648 /nfs/dbraw/zinc/95/36/48/556953648.db2.gz DJFJSOAUANDPAQ-LJQANCHMSA-N 0 0 444.406 2.681 50 0 IFAARN O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1cccc(Br)c1 ZINC000019991021 556956759 /nfs/dbraw/zinc/95/67/59/556956759.db2.gz JXZZDPSZEIIWSX-NRFANRHFSA-N 0 0 445.313 2.546 50 0 IFAARN Cc1cccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000019990949 556956775 /nfs/dbraw/zinc/95/67/75/556956775.db2.gz NZVBMUFPFXGYRT-YRNVUSSQSA-N 0 0 427.570 2.619 50 0 IFAARN Cc1nn(C)cc1CN1CCN(C(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)CC1 ZINC000020028550 556967674 /nfs/dbraw/zinc/96/76/74/556967674.db2.gz RDHFSIVSOFTPJP-ZDUSSCGKSA-N 0 0 432.878 2.811 50 0 IFAARN COC(=O)c1cc2c(ccn(CCc3ccc(OC)c(OC)c3)c2=O)nc1/C=C/N(C)C ZINC000072406636 556972057 /nfs/dbraw/zinc/97/20/57/556972057.db2.gz OLROGHSXGSMDKR-PKNBQFBNSA-N 0 0 437.496 2.975 50 0 IFAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000072437061 556972560 /nfs/dbraw/zinc/97/25/60/556972560.db2.gz DALKOGHKMXULQZ-UHFFFAOYSA-N 0 0 443.551 2.794 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(-n3ccc(C)n3)nn2)CC1 ZINC000072437488 556972728 /nfs/dbraw/zinc/97/27/28/556972728.db2.gz UTCHQWTXVMYIRP-UHFFFAOYSA-N 0 0 427.896 2.987 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1Cl ZINC000072441682 556973063 /nfs/dbraw/zinc/97/30/63/556973063.db2.gz UBJSRHGORRATKH-UHFFFAOYSA-N 0 0 427.896 2.987 50 0 IFAARN Cc1nc2ccccc2n1Cc1nnc2sc(CCN3C(=O)c4ccccc4C3=O)nn12 ZINC000020102470 556980806 /nfs/dbraw/zinc/98/08/06/556980806.db2.gz SKAYGTFDBYQTEG-UHFFFAOYSA-N 0 0 443.492 2.731 50 0 IFAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4cccnc4)C3)ccc21 ZINC000033267282 556981840 /nfs/dbraw/zinc/98/18/40/556981840.db2.gz ZGMBXXYOHZUEIB-IBGZPJMESA-N 0 0 426.542 2.773 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CC[C@@]3(C2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000097088279 556983579 /nfs/dbraw/zinc/98/35/79/556983579.db2.gz MATRTOAESRKLFL-QFIPXVFZSA-N 0 0 443.887 2.694 50 0 IFAARN O=C1[C@@H](N2CCCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CCN1Cc1ccccc1 ZINC000097096466 556984312 /nfs/dbraw/zinc/98/43/12/556984312.db2.gz XMTIHYFNOHYIRH-NRFANRHFSA-N 0 0 447.988 2.838 50 0 IFAARN COc1cccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCOCC2)c1 ZINC000023105939 557000885 /nfs/dbraw/zinc/00/08/85/557000885.db2.gz AVQWXJDPRDPFDA-IBGZPJMESA-N 0 0 430.501 2.524 50 0 IFAARN COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)cc1Cl ZINC000023106975 557001691 /nfs/dbraw/zinc/00/16/91/557001691.db2.gz VLDQQOVDDHJHNA-LJQANCHMSA-N 0 0 431.920 2.785 50 0 IFAARN Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc2n1 ZINC000023107325 557001815 /nfs/dbraw/zinc/00/18/15/557001815.db2.gz GGGTXRGOFAMMGE-JOCHJYFZSA-N 0 0 436.487 2.811 50 0 IFAARN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C)N2CCOCC2)cc1 ZINC000023107547 557002211 /nfs/dbraw/zinc/00/22/11/557002211.db2.gz JWQYPLSUTQZWOI-HXUWFJFHSA-N 0 0 431.920 2.785 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3ccc(F)cc3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020283449 557005422 /nfs/dbraw/zinc/00/54/22/557005422.db2.gz VDLDLJCTBSVHMB-JOCHJYFZSA-N 0 0 438.503 2.819 50 0 IFAARN CCOc1ccc(-c2noc(CN3C(=O)COc4ccc(S(=O)(=O)CC)cc43)n2)cc1 ZINC000023126632 557007748 /nfs/dbraw/zinc/00/77/48/557007748.db2.gz SFSFTNNXBKBZGT-UHFFFAOYSA-N 0 0 443.481 2.855 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CCn2cnc3c4ccccc4[nH]c3c2=O)CC1 ZINC000023125979 557007764 /nfs/dbraw/zinc/00/77/64/557007764.db2.gz RBVZESXOVBXJKG-UHFFFAOYSA-N 0 0 431.496 2.625 50 0 IFAARN CSc1nc(=NN)c2sc3nc(N4CCOCC4)c4c(c3c2[nH]1)CC(C)(C)OC4 ZINC000020329271 557007995 /nfs/dbraw/zinc/00/79/95/557007995.db2.gz GJDXKGIJGPLHCV-UHFFFAOYSA-N 0 0 432.575 2.935 50 0 IFAARN CCOc1ccccc1-c1noc(Cn2c3ccccc3c(=O)n(CCCOC)c2=O)n1 ZINC000023126699 557011397 /nfs/dbraw/zinc/01/13/97/557011397.db2.gz DFQVGANPIWFCTJ-UHFFFAOYSA-N 0 0 436.468 2.697 50 0 IFAARN COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)no3)nc21 ZINC000023128097 557012146 /nfs/dbraw/zinc/01/21/46/557012146.db2.gz ULANCRKWRJHXLZ-UHFFFAOYSA-N 0 0 446.529 2.979 50 0 IFAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000023127787 557012210 /nfs/dbraw/zinc/01/22/10/557012210.db2.gz RFYIMUZRGMOXNB-OAQYLSRUSA-N 0 0 431.558 2.633 50 0 IFAARN COc1cc2nc(NCCN3CCOCC3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000020377192 557012374 /nfs/dbraw/zinc/01/23/74/557012374.db2.gz VVFWSQXWESEICV-UHFFFAOYSA-N 0 0 434.500 2.706 50 0 IFAARN COC(=O)CNC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000043745880 557012613 /nfs/dbraw/zinc/01/26/13/557012613.db2.gz HDHKWQZKZFARNP-UHFFFAOYSA-N 0 0 426.860 2.989 50 0 IFAARN CN1CCN(CN2c3ccccc3[C@](O)(CC(=O)c3ccc4ccccc4c3)C2=O)CC1 ZINC000020414349 557014481 /nfs/dbraw/zinc/01/44/81/557014481.db2.gz IBBHEKRWZBXGJQ-AREMUKBSSA-N 0 0 429.520 2.852 50 0 IFAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CCN(S(C)(=O)=O)CC4)c(C)c3cc2c1C ZINC000020427475 557015826 /nfs/dbraw/zinc/01/58/26/557015826.db2.gz ZMJRAVDKZLMVND-UHFFFAOYSA-N 0 0 446.525 2.501 50 0 IFAARN CCSc1ccccc1C(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 ZINC000023134462 557017301 /nfs/dbraw/zinc/01/73/01/557017301.db2.gz CLHVZOXTSSJZBZ-UHFFFAOYSA-N 0 0 426.521 2.871 50 0 IFAARN C[C@@H]1C(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000010685040 557017933 /nfs/dbraw/zinc/01/79/33/557017933.db2.gz BEBHSFWYVJMRQM-GFCCVEGCSA-N 0 0 435.889 2.539 50 0 IFAARN O=C(Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)N1CCN(c2ccccn2)CC1 ZINC000023138064 557018276 /nfs/dbraw/zinc/01/82/76/557018276.db2.gz WWLUWSNEGYLDFE-UHFFFAOYSA-N 0 0 439.516 2.900 50 0 IFAARN Cc1nn(CCC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000046004420 557019115 /nfs/dbraw/zinc/01/91/15/557019115.db2.gz BDRZONSWAMJGOK-UHFFFAOYSA-N 0 0 430.574 2.900 50 0 IFAARN CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000072019024 557021156 /nfs/dbraw/zinc/02/11/56/557021156.db2.gz HUMTUYRCKDTVAT-UHFFFAOYSA-N 0 0 436.374 2.661 50 0 IFAARN CCc1ccc2c(COC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)cc(=O)oc2c1 ZINC000010745544 557023585 /nfs/dbraw/zinc/02/35/85/557023585.db2.gz NSNCSIFCYVKSCE-QKFKETGDSA-N 0 0 426.469 2.899 50 0 IFAARN O=C(Cn1nc2c(c1NC(=O)c1ccc3c(c1)OCO3)CSC2)NCc1ccco1 ZINC000023139291 557024029 /nfs/dbraw/zinc/02/40/29/557024029.db2.gz QPWYBCSYCACWLN-UHFFFAOYSA-N 0 0 426.454 2.520 50 0 IFAARN CCOCCCNC(=O)C1CCN(C(=O)CCc2c(C)[nH]c(C(=O)OCC)c2C)CC1 ZINC000046046232 557025704 /nfs/dbraw/zinc/02/57/04/557025704.db2.gz AHYQAPOPDDASRM-UHFFFAOYSA-N 0 0 435.565 2.522 50 0 IFAARN O=C(CN1CCN(Cc2nc(-c3ccco3)cs2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000023145360 557026837 /nfs/dbraw/zinc/02/68/37/557026837.db2.gz ASSQJOOQPHZBKJ-UHFFFAOYSA-N 0 0 440.525 2.931 50 0 IFAARN O=C(CSc1nc(CC(=O)NCc2cccs2)cc(=O)[nH]1)Nc1ccccc1F ZINC000023145289 557026860 /nfs/dbraw/zinc/02/68/60/557026860.db2.gz SHAAMSJQZKOEFO-UHFFFAOYSA-N 0 0 432.502 2.560 50 0 IFAARN O=C(CSc1nc(CC(=O)NCc2cccs2)cc(=O)[nH]1)NCc1ccc(F)cc1 ZINC000023145292 557026927 /nfs/dbraw/zinc/02/69/27/557026927.db2.gz VONLSYNMTNFVLT-UHFFFAOYSA-N 0 0 446.529 2.650 50 0 IFAARN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)n1c(=O)c(C(F)(F)F)nc2ccccc21 ZINC000032944817 557027127 /nfs/dbraw/zinc/02/71/27/557027127.db2.gz KBIJIXOQFKMVEX-CYBMUJFWSA-N 0 0 448.401 2.554 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C)c(F)c3)c(C)cc2NC1=O ZINC000046056209 557027704 /nfs/dbraw/zinc/02/77/04/557027704.db2.gz PHHZJSGZONTIEX-QGZVFWFLSA-N 0 0 449.504 2.811 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCCc3ccco3)C2)c1C ZINC000046046505 557027736 /nfs/dbraw/zinc/02/77/36/557027736.db2.gz JRKFZRFPMAEUFE-SFHVURJKSA-N 0 0 443.544 2.931 50 0 IFAARN CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3cccc(C)c3)c(C)cc2NC1=O ZINC000046056243 557028390 /nfs/dbraw/zinc/02/83/90/557028390.db2.gz DKFYNXCYMIWNQE-KRWDZBQOSA-N 0 0 431.514 2.672 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3cccc(C)c3)c(C)cc2NC1=O ZINC000046056240 557028440 /nfs/dbraw/zinc/02/84/40/557028440.db2.gz DKFYNXCYMIWNQE-QGZVFWFLSA-N 0 0 431.514 2.672 50 0 IFAARN Cc1ccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000010833993 557032965 /nfs/dbraw/zinc/03/29/65/557032965.db2.gz VBJAHEBXTBTRCU-AWEZNQCLSA-N 0 0 441.347 2.978 50 0 IFAARN CC1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009692438 557033365 /nfs/dbraw/zinc/03/33/65/557033365.db2.gz RJBRBBVUDQQERI-GOSISDBHSA-N 0 0 444.582 2.839 50 0 IFAARN O=C(CSc1ncc(CO)n1CC(=O)NCc1ccc(F)cc1)Nc1ccccc1 ZINC000017190618 557035604 /nfs/dbraw/zinc/03/56/04/557035604.db2.gz VKIKXUQIYWREAP-UHFFFAOYSA-N 0 0 428.489 2.562 50 0 IFAARN CC(C)[C@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O ZINC000032947203 557038782 /nfs/dbraw/zinc/03/87/82/557038782.db2.gz RCZKUKOBUCVMPP-RYUDHWBXSA-N 0 0 442.379 2.793 50 0 IFAARN Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000010860014 557039064 /nfs/dbraw/zinc/03/90/64/557039064.db2.gz GJTJKMSTFTXYRZ-GFCCVEGCSA-N 0 0 431.445 2.514 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 ZINC000032947275 557041371 /nfs/dbraw/zinc/04/13/71/557041371.db2.gz NSVHGHLKPBPXSE-CQSZACIVSA-N 0 0 447.538 2.676 50 0 IFAARN CC(=O)Nc1ccc(CC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000046145166 557043318 /nfs/dbraw/zinc/04/33/18/557043318.db2.gz FGOIZJMKMJPKGW-UHFFFAOYSA-N 0 0 449.960 2.810 50 0 IFAARN COc1ccc(/C=C/C(=O)N2CCC(NS(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000046145354 557043656 /nfs/dbraw/zinc/04/36/56/557043656.db2.gz LTGZZLDRZFADHJ-LFYBBSHMSA-N 0 0 430.526 2.687 50 0 IFAARN COC(=O)c1cc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)n2)c[nH]1 ZINC000048236710 557047591 /nfs/dbraw/zinc/04/75/91/557047591.db2.gz PDQCQFXDIQRCII-CYBMUJFWSA-N 0 0 431.518 2.791 50 0 IFAARN CCCNC(=O)CN1CCN(Cn2nc(-c3ccc(N(CC)CC)cc3)oc2=S)CC1 ZINC000022924486 557048092 /nfs/dbraw/zinc/04/80/92/557048092.db2.gz LKEAEXLLAPSAHU-UHFFFAOYSA-N 0 0 446.621 2.820 50 0 IFAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(CCN2CCOCC2)CC1 ZINC000022925058 557048283 /nfs/dbraw/zinc/04/82/83/557048283.db2.gz WOQSPFLGZMZHLH-UHFFFAOYSA-N 0 0 436.915 2.533 50 0 IFAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc3nnc(C)n3n2)ccc1OC(C)C ZINC000033271328 557048807 /nfs/dbraw/zinc/04/88/07/557048807.db2.gz RPWGZJOATZXIMY-HNNXBMFYSA-N 0 0 433.472 2.888 50 0 IFAARN Cc1ccccc1C(=O)NC1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000048260571 557049205 /nfs/dbraw/zinc/04/92/05/557049205.db2.gz NOOLUYJOJONHHC-IBGZPJMESA-N 0 0 426.561 2.644 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCC[C@@H](c4nncn4C)C3)cc2)c1C ZINC000048260871 557049259 /nfs/dbraw/zinc/04/92/59/557049259.db2.gz GNALBSWMGORCLO-MRXNPFEDSA-N 0 0 437.504 2.897 50 0 IFAARN CCCCc1ccc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC)cc3)c2=O)cc1 ZINC000017271293 557049194 /nfs/dbraw/zinc/04/91/94/557049194.db2.gz PSMCIUNFDWBIML-UHFFFAOYSA-N 0 0 432.484 2.967 50 0 IFAARN CCCCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnnn2C)cc1 ZINC000017271288 557049208 /nfs/dbraw/zinc/04/92/08/557049208.db2.gz XITZBOHKKZIOFR-UHFFFAOYSA-N 0 0 442.545 2.654 50 0 IFAARN CCCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)C1=O ZINC000017271963 557049409 /nfs/dbraw/zinc/04/94/09/557049409.db2.gz KIBNMTOCHHWVSJ-UHFFFAOYSA-N 0 0 427.526 2.839 50 0 IFAARN C[C@H](NC(=O)CN1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)c1ccccc1Cl ZINC000022929500 557049417 /nfs/dbraw/zinc/04/94/17/557049417.db2.gz ACLCBKDMLFZOMZ-OTWHNJEPSA-N 0 0 435.012 2.639 50 0 IFAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(CC(=O)N2CCc3sccc3C2)CC1 ZINC000022932399 557050529 /nfs/dbraw/zinc/05/05/29/557050529.db2.gz JXZFBLFERGXZLO-NRFANRHFSA-N 0 0 447.988 2.818 50 0 IFAARN COc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccc(Cl)s4)CC3)C2=O)cc1OC ZINC000022932364 557050652 /nfs/dbraw/zinc/05/06/52/557050652.db2.gz NNDKNWDCSBMBLK-INIZCTEOSA-N 0 0 449.960 2.868 50 0 IFAARN C[C@@H]1CN(c2ccc(NC(=O)NCc3ccnc(N4CCOCC4)c3)cc2F)C[C@H](C)O1 ZINC000048250187 557051499 /nfs/dbraw/zinc/05/14/99/557051499.db2.gz NLTRGIBTXRPNKL-CALCHBBNSA-N 0 0 443.523 2.993 50 0 IFAARN C[C@H]1CN(c2ccc(NC(=O)NCc3ccnc(N4CCOCC4)c3)cc2F)C[C@H](C)O1 ZINC000048250193 557051534 /nfs/dbraw/zinc/05/15/34/557051534.db2.gz NLTRGIBTXRPNKL-IRXDYDNUSA-N 0 0 443.523 2.993 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccccc4[nH]3)CC2)cc1OC ZINC000017304024 557051624 /nfs/dbraw/zinc/05/16/24/557051624.db2.gz CLJIRPBYQLFNFH-UHFFFAOYSA-N 0 0 444.513 2.620 50 0 IFAARN Cc1ccc(CC(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCOCC4)cc3)n2)cc1 ZINC000033273662 557052207 /nfs/dbraw/zinc/05/22/07/557052207.db2.gz MIRMNLYEUGLYMQ-UHFFFAOYSA-N 0 0 448.523 2.761 50 0 IFAARN Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCN(C)CC2)o1 ZINC000022938371 557053262 /nfs/dbraw/zinc/05/32/62/557053262.db2.gz HJMCLFSENYHGPU-GOSISDBHSA-N 0 0 436.350 2.834 50 0 IFAARN NC(=O)c1cn(CC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c2ccccc12 ZINC000048287891 557053579 /nfs/dbraw/zinc/05/35/79/557053579.db2.gz GVBWAHXWHNTMHI-OAQYLSRUSA-N 0 0 440.931 2.583 50 0 IFAARN Cc1ccc(C)c(OC[C@H](O)CN2CCN(C[C@@H](O)COc3cc(C)ccc3C)CC2)c1 ZINC000022942629 557053719 /nfs/dbraw/zinc/05/37/19/557053719.db2.gz JBTLCKCVJHHEIW-DNQXCXABSA-N 0 0 442.600 2.717 50 0 IFAARN O=C(CN(Cc1cccs1)C[C@H]1CCCO1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000017307930 557054173 /nfs/dbraw/zinc/05/41/73/557054173.db2.gz OWHHLGJARGPMKN-MRXNPFEDSA-N 0 0 431.514 2.849 50 0 IFAARN CCn1c2ccc(C(=O)N(C)C)cc2nc1CN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000033275525 557054712 /nfs/dbraw/zinc/05/47/12/557054712.db2.gz IYFKSMKBZNPOAR-UHFFFAOYSA-N 0 0 437.519 2.855 50 0 IFAARN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000048274919 557055910 /nfs/dbraw/zinc/05/59/10/557055910.db2.gz ZJJLAHIIMKMMLG-UHFFFAOYSA-N 0 0 427.480 2.816 50 0 IFAARN COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000033276592 557057144 /nfs/dbraw/zinc/05/71/44/557057144.db2.gz BQUKBHGMOSCLRK-UHFFFAOYSA-N 0 0 446.529 2.804 50 0 IFAARN CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)NCc3ccco3)c1)NC(=O)CCC2=O ZINC000033276647 557057150 /nfs/dbraw/zinc/05/71/50/557057150.db2.gz TYOAMIVOOVYLJL-UHFFFAOYSA-N 0 0 442.497 2.865 50 0 IFAARN CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)NCCC(C)C)c1)NC(=O)CCC2=O ZINC000033276738 557057473 /nfs/dbraw/zinc/05/74/73/557057473.db2.gz GMOQWLKGORWKDP-UHFFFAOYSA-N 0 0 448.545 2.818 50 0 IFAARN CCCCCCN(CCN1CCOCC1)C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000048285747 557057922 /nfs/dbraw/zinc/05/79/22/557057922.db2.gz CPQVHOBJHLYJMC-SFHVURJKSA-N 0 0 440.610 2.784 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 ZINC000048309344 557059969 /nfs/dbraw/zinc/05/99/69/557059969.db2.gz CWUVMZIUIDIEMG-UHFFFAOYSA-N 0 0 426.608 2.717 50 0 IFAARN Cc1oc(C(=O)N2CCCN(Cc3cccs3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000048311155 557061008 /nfs/dbraw/zinc/06/10/08/557061008.db2.gz SNFGIAGROBRVMR-UHFFFAOYSA-N 0 0 437.587 2.782 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc(C)n4)C3)c2)no1 ZINC000033279131 557061090 /nfs/dbraw/zinc/06/10/90/557061090.db2.gz DTDKTKMLOVYYES-CQSZACIVSA-N 0 0 447.542 2.849 50 0 IFAARN COc1cccc(NC(=O)CN(C)Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)c1 ZINC000023057960 557061099 /nfs/dbraw/zinc/06/10/99/557061099.db2.gz OYKZJJVSSKEEGK-UHFFFAOYSA-N 0 0 439.541 2.856 50 0 IFAARN C[C@H](NC(=O)CN1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)c1ccc2c(c1)CCCC2 ZINC000023057662 557061127 /nfs/dbraw/zinc/06/11/27/557061127.db2.gz RMJXZOQWYHHCNZ-SFTDATJTSA-N 0 0 440.632 2.761 50 0 IFAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000023078096 557062169 /nfs/dbraw/zinc/06/21/69/557062169.db2.gz AHQHWGMDKOXCCM-HSZRJFAPSA-N 0 0 428.448 2.927 50 0 IFAARN Cn1c(=O)c2cc3c(cc2nc1SCc1nc(-c2ccc4c(c2)OCO4)no1)OCO3 ZINC000033279694 557062237 /nfs/dbraw/zinc/06/22/37/557062237.db2.gz FFGNESXFSPIRIM-UHFFFAOYSA-N 0 0 438.421 2.733 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccccn4)C3)c2)no1 ZINC000033279296 557062279 /nfs/dbraw/zinc/06/22/79/557062279.db2.gz OUHXNZPSLDDEPW-ZDUSSCGKSA-N 0 0 433.515 2.541 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1)n1cccn1 ZINC000048301309 557062583 /nfs/dbraw/zinc/06/25/83/557062583.db2.gz DYLDDMOORDLZDR-ZWKOTPCHSA-N 0 0 438.532 2.949 50 0 IFAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)C1 ZINC000048301238 557062635 /nfs/dbraw/zinc/06/26/35/557062635.db2.gz ZRTCZEZRXFZITE-QGZVFWFLSA-N 0 0 447.513 2.540 50 0 IFAARN COC[C@H](O)CN(C)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000048314570 557064686 /nfs/dbraw/zinc/06/46/86/557064686.db2.gz JZWDODWCAAADBU-QGZVFWFLSA-N 0 0 428.558 2.634 50 0 IFAARN O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccc(Cl)cc1)N1CCN(CCO)CC1 ZINC000023119700 557064864 /nfs/dbraw/zinc/06/48/64/557064864.db2.gz CLNSSYSGSRQJEL-JTHBVZDNSA-N 0 0 427.932 2.716 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccccc2C)CC3)n1CC ZINC000033287937 557065197 /nfs/dbraw/zinc/06/51/97/557065197.db2.gz CTUPEEDQXSZAFI-UHFFFAOYSA-N 0 0 446.602 2.866 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1)NC1CC1 ZINC000048324988 557065870 /nfs/dbraw/zinc/06/58/70/557065870.db2.gz YQUBBDANHBERLQ-UHFFFAOYSA-N 0 0 449.580 2.892 50 0 IFAARN CCOCCCN(C(=O)c1cccc(S(=O)(=O)N(C)OC)c1)C1=NC(C)(C)CS1 ZINC000048326055 557066586 /nfs/dbraw/zinc/06/65/86/557066586.db2.gz GCVSCCWLXUEEMG-UHFFFAOYSA-N 0 0 443.591 2.619 50 0 IFAARN COc1cc(=O)n2c(c1C(=O)N(C)[C@@H](C)c1ccco1)CCN(Cc1ccccn1)CC2 ZINC000023130157 557066674 /nfs/dbraw/zinc/06/66/74/557066674.db2.gz SIUMUAVVGIZCTC-KRWDZBQOSA-N 0 0 436.512 2.736 50 0 IFAARN CC[C@H](C)NC(=O)Cn1c2ccc(C)cc2c2ncn(Cc3nc(C4CC4)no3)c(=O)c21 ZINC000033281219 557067113 /nfs/dbraw/zinc/06/71/13/557067113.db2.gz LDYQDPASIGKDTF-AWEZNQCLSA-N 0 0 434.500 2.883 50 0 IFAARN O=C(NCCc1cscn1)[C@H]1CSCN1C(=O)c1ccccc1Br ZINC000033282322 557067739 /nfs/dbraw/zinc/06/77/39/557067739.db2.gz JKIYDJJTVUMFGB-CQSZACIVSA-N 0 0 426.361 2.780 50 0 IFAARN Cc1oc(C(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000048326833 557069051 /nfs/dbraw/zinc/06/90/51/557069051.db2.gz ZSKPUQKLEAMAFW-IBGZPJMESA-N 0 0 448.541 2.860 50 0 IFAARN Cc1ccc2c(CN(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)cc(=O)oc2c1 ZINC000048332157 557069794 /nfs/dbraw/zinc/06/97/94/557069794.db2.gz OTMGCNHHLZQQIC-UHFFFAOYSA-N 0 0 426.517 2.852 50 0 IFAARN CCn1c(=O)c2c3c(sc2nc1SCCn1nc2ccccn2c1=O)CCCC3 ZINC000048343809 557071602 /nfs/dbraw/zinc/07/16/02/557071602.db2.gz HFHVTARVQGNMMV-UHFFFAOYSA-N 0 0 427.555 2.958 50 0 IFAARN C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)[C@H]1CCCO1 ZINC000023196299 557072546 /nfs/dbraw/zinc/07/25/46/557072546.db2.gz BXQDYXQNBRSVKT-HNAYVOBHSA-N 0 0 446.525 2.946 50 0 IFAARN CN(CC(=O)OCC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)c1ncccn1 ZINC000023199609 557073006 /nfs/dbraw/zinc/07/30/06/557073006.db2.gz WSSBTIURDMFHQV-QFIPXVFZSA-N 0 0 444.919 2.606 50 0 IFAARN O=C(CNC(=O)c1ccccc1Oc1ccccc1)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000048355377 557073986 /nfs/dbraw/zinc/07/39/86/557073986.db2.gz ORNUGBJRNQEFRS-UHFFFAOYSA-N 0 0 430.420 2.790 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000023223614 557074542 /nfs/dbraw/zinc/07/45/42/557074542.db2.gz LFBOADQIWOBEID-UHFFFAOYSA-N 0 0 449.583 2.911 50 0 IFAARN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000048366463 557074951 /nfs/dbraw/zinc/07/49/51/557074951.db2.gz CHNFHNKZSOQPPU-GOSISDBHSA-N 0 0 428.286 2.828 50 0 IFAARN CN(C)C(=O)Cn1cc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nn1 ZINC000048365684 557075056 /nfs/dbraw/zinc/07/50/56/557075056.db2.gz DNYLOHTXKBGDHI-UHFFFAOYSA-N 0 0 439.328 2.973 50 0 IFAARN CCCCn1c(N)c(N(CC)Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c(=O)[nH]c1=O ZINC000048366941 557075276 /nfs/dbraw/zinc/07/52/76/557075276.db2.gz KZVSYIRQEWTZFG-UHFFFAOYSA-N 0 0 440.523 2.759 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000023239221 557076293 /nfs/dbraw/zinc/07/62/93/557076293.db2.gz LHISDUQZSFSTSA-UHFFFAOYSA-N 0 0 428.432 2.893 50 0 IFAARN COc1ccc(CN2CCN(Cn3nc(-c4ccncc4)n(C)c3=S)CC2)cc1OC ZINC000023257469 557079876 /nfs/dbraw/zinc/07/98/76/557079876.db2.gz WGOMKRZOTXGLNU-UHFFFAOYSA-N 0 0 440.573 2.806 50 0 IFAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(CCOc3ccccc3)CC2)C1=O ZINC000023257460 557079943 /nfs/dbraw/zinc/07/99/43/557079943.db2.gz CIUZUJKQSHQBDD-AREMUKBSSA-N 0 0 448.567 2.596 50 0 IFAARN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000010894984 557081802 /nfs/dbraw/zinc/08/18/02/557081802.db2.gz HQEOJTIPJMKQOY-LJQANCHMSA-N 0 0 428.510 2.738 50 0 IFAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)OCO3)nc(N2CCN(c3ccccc3)CC2)n1 ZINC000048985718 557081981 /nfs/dbraw/zinc/08/19/81/557081981.db2.gz UWFDFGIEHNKFJG-UHFFFAOYSA-N 0 0 447.495 2.858 50 0 IFAARN C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)CCN2CCCS2(=O)=O)[C@@H]1C ZINC000072280620 557083704 /nfs/dbraw/zinc/08/37/04/557083704.db2.gz VXTORAWHPUQEOC-ZHALLVOQSA-N 0 0 436.574 2.994 50 0 IFAARN CCOC(=O)CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(CC)CC ZINC000023325505 557084154 /nfs/dbraw/zinc/08/41/54/557084154.db2.gz KZSJRDBHVCCBSC-UHFFFAOYSA-N 0 0 439.578 2.989 50 0 IFAARN Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)N1CCN(C(C)C)CC1 ZINC000033308032 557087473 /nfs/dbraw/zinc/08/74/73/557087473.db2.gz UTIFQQLREULZQI-UHFFFAOYSA-N 0 0 440.573 2.661 50 0 IFAARN CCN(CC)c1nc2ccsc2c(=O)n1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000033308738 557089804 /nfs/dbraw/zinc/08/98/04/557089804.db2.gz HRTQLNGEDIEFMQ-UHFFFAOYSA-N 0 0 443.548 2.792 50 0 IFAARN COc1cc2c(cc1OC)[C@H](C(=O)NC[C@@H]1CCCO1)[C@H](c1cccs1)N(C)C2=O ZINC000004760097 557090390 /nfs/dbraw/zinc/09/03/90/557090390.db2.gz ZJTZPYVIAJJTFU-MRFFXTKBSA-N 0 0 430.526 2.971 50 0 IFAARN COc1cc2c(cc1OC)[C@H](C(=O)NC[C@@H]1CCCO1)[C@@H](c1cccs1)N(C)C2=O ZINC000004760096 557090393 /nfs/dbraw/zinc/09/03/93/557090393.db2.gz ZJTZPYVIAJJTFU-QTJFZDIUSA-N 0 0 430.526 2.971 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2CCc3[nH]c4c(F)ccc(F)c4c(=O)c3C2)cc1 ZINC000049003248 557091135 /nfs/dbraw/zinc/09/11/35/557091135.db2.gz JIGSKPFSBATSOY-UHFFFAOYSA-N 0 0 427.407 2.590 50 0 IFAARN COC(=O)C(=O)N1CCN(c2nc3nccc(-c4ccc(C5CCCCC5)cc4)n3n2)CC1 ZINC000023429241 557092081 /nfs/dbraw/zinc/09/20/81/557092081.db2.gz PBDTUBUKHZEDLH-UHFFFAOYSA-N 0 0 448.527 2.661 50 0 IFAARN COc1cccc(-c2noc(CCn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)c1OC ZINC000033309737 557092283 /nfs/dbraw/zinc/09/22/83/557092283.db2.gz XQVGYEBXJDCPNS-UHFFFAOYSA-N 0 0 448.435 2.949 50 0 IFAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O ZINC000023475647 557093875 /nfs/dbraw/zinc/09/38/75/557093875.db2.gz DPELBCUCNDHCOR-JOCHJYFZSA-N 0 0 428.558 2.689 50 0 IFAARN Cc1ccnc(Nc2ccc(N3CCN(C(=O)Cc4noc5ccccc45)CC3)nn2)c1 ZINC000049343621 557094318 /nfs/dbraw/zinc/09/43/18/557094318.db2.gz QJIJBNLSVVDZSY-UHFFFAOYSA-N 0 0 429.484 2.956 50 0 IFAARN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000033310629 557094683 /nfs/dbraw/zinc/09/46/83/557094683.db2.gz ANGOLDVPSLAXJN-OAQYLSRUSA-N 0 0 426.488 2.911 50 0 IFAARN Cc1ccccc1[C@H](C)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C ZINC000023524766 557095883 /nfs/dbraw/zinc/09/58/83/557095883.db2.gz JCPQDYRVEPHEEA-KKSFZXQISA-N 0 0 432.542 2.947 50 0 IFAARN CCOC(=O)N1CCN(C(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)CC1 ZINC000049401748 557097312 /nfs/dbraw/zinc/09/73/12/557097312.db2.gz KBCOCKIRLJBWNH-UHFFFAOYSA-N 0 0 439.516 2.786 50 0 IFAARN CCOC(=O)c1cn(Cc2cc(F)cc(F)c2)nc1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000049402251 557097666 /nfs/dbraw/zinc/09/76/66/557097666.db2.gz QGLPBJGDENBERT-ZDUSSCGKSA-N 0 0 427.473 2.807 50 0 IFAARN COC(=O)c1cn(Cc2ccccc2C)nc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000049402177 557097708 /nfs/dbraw/zinc/09/77/08/557097708.db2.gz CSDPSBZIEHXIEW-UHFFFAOYSA-N 0 0 425.510 2.773 50 0 IFAARN CCN(CCCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O)c1cccc(C)c1 ZINC000004766915 557098159 /nfs/dbraw/zinc/09/81/59/557098159.db2.gz PFZIHTSDZTYNCL-UHFFFAOYSA-N 0 0 448.567 2.849 50 0 IFAARN Cc1ccc2c(c1)N(Cc1nc(C3CC3)no1)N=C(C(=O)N1CCCCCC1)S2(=O)=O ZINC000049402734 557098256 /nfs/dbraw/zinc/09/82/56/557098256.db2.gz CXTBMUYKMITYMK-UHFFFAOYSA-N 0 0 443.529 2.765 50 0 IFAARN Cc1ccc(C)c(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3cc(Cl)ccc32)c1 ZINC000049402784 557098299 /nfs/dbraw/zinc/09/82/99/557098299.db2.gz PRQLMWKIFVINRO-UHFFFAOYSA-N 0 0 447.944 2.923 50 0 IFAARN COc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3cccc(C)c3)NC2=O)c(OC)c1 ZINC000049403052 557098556 /nfs/dbraw/zinc/09/85/56/557098556.db2.gz FBWUYFJAROBJCW-NRFANRHFSA-N 0 0 437.452 2.528 50 0 IFAARN COc1cccc(CC(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1 ZINC000049405910 557100943 /nfs/dbraw/zinc/10/09/43/557100943.db2.gz NYEQWPDXWXMJBJ-UHFFFAOYSA-N 0 0 433.512 2.548 50 0 IFAARN CN(C)c1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)c1 ZINC000049406108 557101212 /nfs/dbraw/zinc/10/12/12/557101212.db2.gz KFLZGDRWBMUMID-UHFFFAOYSA-N 0 0 436.491 2.507 50 0 IFAARN COc1ccc(OCCN2CCN(C(=O)[C@H](C)NC(=O)OCc3ccccc3)CC2)cc1 ZINC000023641577 557102131 /nfs/dbraw/zinc/10/21/31/557102131.db2.gz SQTHGIIBBXADLX-IBGZPJMESA-N 0 0 441.528 2.533 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3cccc(OC)c3)C2)c1C ZINC000085620789 557102269 /nfs/dbraw/zinc/10/22/69/557102269.db2.gz KMWHLHYYUHPVDV-SFHVURJKSA-N 0 0 441.528 2.985 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3nn(Cc4c(F)cccc4Cl)c(=O)n3c2)CC1 ZINC000049408000 557102868 /nfs/dbraw/zinc/10/28/68/557102868.db2.gz JLJXYRFRHUVEJE-UHFFFAOYSA-N 0 0 438.912 2.757 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CC(=O)OCCOc1ccc(Br)cc1)C2=O ZINC000023652978 557103056 /nfs/dbraw/zinc/10/30/56/557103056.db2.gz ZWEWHXPIRAOSFJ-UHFFFAOYSA-N 0 0 439.306 2.872 50 0 IFAARN O=C(c1snc2c1[nH]c(=O)n(Cc1ccc(F)cc1)c2=O)N1CCc2ccccc2C1 ZINC000049409924 557105292 /nfs/dbraw/zinc/10/52/92/557105292.db2.gz ZYWDTBPGLVNJIW-UHFFFAOYSA-N 0 0 436.468 2.532 50 0 IFAARN COc1cccc(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)c1 ZINC000049411500 557106659 /nfs/dbraw/zinc/10/66/59/557106659.db2.gz WRWMYOARWBSKPA-UHFFFAOYSA-N 0 0 442.472 2.968 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1)c1ccco1 ZINC000023687916 557107074 /nfs/dbraw/zinc/10/70/74/557107074.db2.gz BSPKLACQRKNRON-UHFFFAOYSA-N 0 0 445.522 2.740 50 0 IFAARN Cc1cc(C)n([C@@H](CNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)c2ccco2)n1 ZINC000585148198 557109136 /nfs/dbraw/zinc/10/91/36/557109136.db2.gz ZDSWRSTWLMJLQY-FQEVSTJZSA-N 0 0 449.511 2.954 50 0 IFAARN O=C(c1ccccc1Br)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000585148513 557109410 /nfs/dbraw/zinc/10/94/10/557109410.db2.gz PWVBEXJAIGCDOU-UHFFFAOYSA-N 0 0 448.239 2.880 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)o2)C1 ZINC000049448200 557109603 /nfs/dbraw/zinc/10/96/03/557109603.db2.gz DLYXLSMSECQYJT-CQSZACIVSA-N 0 0 443.529 2.625 50 0 IFAARN Cc1nc(C)c(-c2nnc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)o2)s1 ZINC000049449861 557109624 /nfs/dbraw/zinc/10/96/24/557109624.db2.gz VDHQNHQVKADXRS-NSHDSACASA-N 0 0 439.544 2.663 50 0 IFAARN COc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3c[nH]c4ccc(F)cc34)C2=O)cc1 ZINC000409415151 557109953 /nfs/dbraw/zinc/10/99/53/557109953.db2.gz VIPVNTJBSUPEMB-HXUWFJFHSA-N 0 0 438.459 2.880 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000049548165 557112284 /nfs/dbraw/zinc/11/22/84/557112284.db2.gz BEQLFJKKXMIGCR-NRFANRHFSA-N 0 0 445.567 2.707 50 0 IFAARN CS(=O)(=O)Nc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 ZINC000011362555 557113568 /nfs/dbraw/zinc/11/35/68/557113568.db2.gz IJZPTOYDKIMERG-GOSISDBHSA-N 0 0 427.482 2.631 50 0 IFAARN C[C@H](Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)C(=O)Nc1ccccc1F ZINC000011364650 557114008 /nfs/dbraw/zinc/11/40/08/557114008.db2.gz GOZUZRHVKYXRDU-GJZGRUSLSA-N 0 0 435.525 2.552 50 0 IFAARN COc1ccc(C)c2cc(CCNS(=O)(=O)c3cc(C)c(C)cc3OC)c(=O)[nH]c12 ZINC000049597363 557114798 /nfs/dbraw/zinc/11/47/98/557114798.db2.gz JTLXFVZQFJGFHA-UHFFFAOYSA-N 0 0 430.526 2.992 50 0 IFAARN COc1ccc(NC(=O)c2ccc(CN3CCN(CC(=O)N4CCCC4)CC3)cc2)cc1 ZINC000023763370 557114885 /nfs/dbraw/zinc/11/48/85/557114885.db2.gz BRRINDMVDHWJGP-UHFFFAOYSA-N 0 0 436.556 2.688 50 0 IFAARN O=C(CCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)N1CCC(c2ccccc2)=N1 ZINC000023763341 557114898 /nfs/dbraw/zinc/11/48/98/557114898.db2.gz BVLHNKWUOQORHJ-UHFFFAOYSA-N 0 0 446.551 2.683 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000023786691 557115991 /nfs/dbraw/zinc/11/59/91/557115991.db2.gz CJYBBMMESSESBI-IBGZPJMESA-N 0 0 429.542 2.791 50 0 IFAARN CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(Cc4ccc(Cl)s4)CC3)ccc21 ZINC000023791848 557116026 /nfs/dbraw/zinc/11/60/26/557116026.db2.gz WPRMDQLQJLQXFZ-UHFFFAOYSA-N 0 0 439.990 2.682 50 0 IFAARN CC(C)[C@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc2c(c1)OCCCO2 ZINC000049581020 557116292 /nfs/dbraw/zinc/11/62/92/557116292.db2.gz NKAOOHKEBSWGDZ-QHCPKHFHSA-N 0 0 436.512 2.530 50 0 IFAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1=O ZINC000023804796 557116399 /nfs/dbraw/zinc/11/63/99/557116399.db2.gz DKUCXXWOLGDBII-XXBNENTESA-N 0 0 433.552 2.875 50 0 IFAARN O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000023818663 557118331 /nfs/dbraw/zinc/11/83/31/557118331.db2.gz OPWAMFWXLNMBFD-UHFFFAOYSA-N 0 0 430.448 2.896 50 0 IFAARN Cc1cccc(C)c1-n1nnnc1SCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000023819134 557118730 /nfs/dbraw/zinc/11/87/30/557118730.db2.gz KDFZRPHKRCZGEZ-UHFFFAOYSA-N 0 0 444.605 2.523 50 0 IFAARN CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2CCOC)CC1 ZINC000023819254 557118915 /nfs/dbraw/zinc/11/89/15/557118915.db2.gz KPAPAIVNKMHEFX-HNNXBMFYSA-N 0 0 437.997 2.890 50 0 IFAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000023819968 557119220 /nfs/dbraw/zinc/11/92/20/557119220.db2.gz ZAFACPVDTSZJJG-NRFANRHFSA-N 0 0 432.524 2.631 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Br ZINC000001148416 557119356 /nfs/dbraw/zinc/11/93/56/557119356.db2.gz MKWPNHBBIYDSTC-UHFFFAOYSA-N 0 0 425.304 2.722 50 0 IFAARN O=C(CSc1nnc(NCc2ccccc2)s1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000023844955 557120012 /nfs/dbraw/zinc/12/00/12/557120012.db2.gz QTEUWHCJUYKQHY-UHFFFAOYSA-N 0 0 446.558 2.528 50 0 IFAARN C[C@H](OC(=O)Cn1cnc2c3ccccc3oc2c1=O)C(=O)Nc1cccnc1Cl ZINC000018461154 557121583 /nfs/dbraw/zinc/12/15/83/557121583.db2.gz SGGIYOQJKMAFJW-NSHDSACASA-N 0 0 426.816 2.762 50 0 IFAARN COc1ccc(-n2ncc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)c2C(F)(F)F)nn1 ZINC000024664037 557122632 /nfs/dbraw/zinc/12/26/32/557122632.db2.gz IARLOAKIJSNHGQ-GFCCVEGCSA-N 0 0 449.389 2.602 50 0 IFAARN Nn1c(Cc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000023882201 557123140 /nfs/dbraw/zinc/12/31/40/557123140.db2.gz MEMMTDZXRZEOMT-UHFFFAOYSA-N 0 0 429.477 2.614 50 0 IFAARN CCNS(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2nnc(N)s2)c2ccccc2)cc1 ZINC000098087225 557123760 /nfs/dbraw/zinc/12/37/60/557123760.db2.gz INYOEKLFGHKVOW-HNNXBMFYSA-N 0 0 449.583 2.891 50 0 IFAARN O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)N1CCc2ccccc2C1 ZINC000004791715 557124561 /nfs/dbraw/zinc/12/45/61/557124561.db2.gz QPHITXJAPDFWAX-UHFFFAOYSA-N 0 0 442.313 2.817 50 0 IFAARN Cc1cc(CN2CCN(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc43)CC2)no1 ZINC000023908436 557125029 /nfs/dbraw/zinc/12/50/29/557125029.db2.gz XBEMIWKNIXEERL-UHFFFAOYSA-N 0 0 429.480 2.640 50 0 IFAARN COc1ccc(OC)c(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccccc4)ccc3c2=O)c1 ZINC000004792951 557125195 /nfs/dbraw/zinc/12/51/95/557125195.db2.gz WJSOLQNSGFSPNO-UHFFFAOYSA-N 0 0 445.475 2.669 50 0 IFAARN NC(=O)Cn1c(CN2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccccc2c1=O ZINC000023935663 557126173 /nfs/dbraw/zinc/12/61/73/557126173.db2.gz HUZRYUQEFYBEFO-OAHLLOKOSA-N 0 0 433.537 2.871 50 0 IFAARN COc1cc(CCNC(=O)Cc2csc(N3CCCC3=O)n2)ccc1OC(F)F ZINC000023953260 557127330 /nfs/dbraw/zinc/12/73/30/557127330.db2.gz OETCNQPWYRWUPE-UHFFFAOYSA-N 0 0 425.457 2.781 50 0 IFAARN CC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000017898858 557127634 /nfs/dbraw/zinc/12/76/34/557127634.db2.gz GYMPMHRPZNFWDC-UHFFFAOYSA-N 0 0 449.523 2.665 50 0 IFAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000017908820 557128388 /nfs/dbraw/zinc/12/83/88/557128388.db2.gz LVLAYIOYXDHEPP-UHFFFAOYSA-N 0 0 444.431 2.741 50 0 IFAARN CC[C@@]1(C)NC(=O)N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000023994645 557130636 /nfs/dbraw/zinc/13/06/36/557130636.db2.gz CIPDYEXPKDZSJK-RUZDIDTESA-N 0 0 434.540 2.641 50 0 IFAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F)(C3)C2 ZINC000017967893 557134026 /nfs/dbraw/zinc/13/40/26/557134026.db2.gz RDHYOQXDTGYMEA-NAZSJPOASA-N 0 0 437.462 2.976 50 0 IFAARN CCOc1ccc(C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1OC ZINC000024068856 557134849 /nfs/dbraw/zinc/13/48/49/557134849.db2.gz LKBSELBGVWLIKG-KRWDZBQOSA-N 0 0 435.546 2.539 50 0 IFAARN COC(=O)c1sccc1NC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000024772227 557137111 /nfs/dbraw/zinc/13/71/11/557137111.db2.gz AOLRHACFCXFPHT-UHFFFAOYSA-N 0 0 425.894 2.706 50 0 IFAARN O=S(=O)(NC1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000000695732 557137486 /nfs/dbraw/zinc/13/74/86/557137486.db2.gz ASQAARCKGLAPAV-UHFFFAOYSA-N 0 0 430.498 2.533 50 0 IFAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024135083 557138128 /nfs/dbraw/zinc/13/81/28/557138128.db2.gz HWCIYXGHPQNMIQ-UHFFFAOYSA-N 0 0 427.932 2.739 50 0 IFAARN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000024136875 557138334 /nfs/dbraw/zinc/13/83/34/557138334.db2.gz YONKTLRLDVTOLW-UHFFFAOYSA-N 0 0 429.561 2.913 50 0 IFAARN NS(=O)(=O)c1ccc(Br)c(C(=O)OCCCOc2ccc(F)cc2)c1 ZINC000024782107 557139028 /nfs/dbraw/zinc/13/90/28/557139028.db2.gz YTHOUVJNGJOCQN-UHFFFAOYSA-N 0 0 432.267 2.862 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000011396886 557139956 /nfs/dbraw/zinc/13/99/56/557139956.db2.gz ZHHQSYQHMFWDSP-UHFFFAOYSA-N 0 0 444.553 2.685 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)cc1 ZINC000011406994 557142324 /nfs/dbraw/zinc/14/23/24/557142324.db2.gz ITMYSFNDIMRBES-UHFFFAOYSA-N 0 0 437.521 2.808 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011417627 557143213 /nfs/dbraw/zinc/14/32/13/557143213.db2.gz PIHPJVYIFVPDKT-LBPRGKRZSA-N 0 0 439.896 2.911 50 0 IFAARN CC1CCN(c2nnc(SCC(=O)N3CCN(c4ccccn4)CC3)n2C2CC2)CC1 ZINC000011424505 557146336 /nfs/dbraw/zinc/14/63/36/557146336.db2.gz FYBVNRJRZYAZKH-UHFFFAOYSA-N 0 0 441.605 2.685 50 0 IFAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)N(C)Cc1ccccc1 ZINC000024805279 557148038 /nfs/dbraw/zinc/14/80/38/557148038.db2.gz PGJCHVCTQOEBEY-INIZCTEOSA-N 0 0 432.542 2.967 50 0 IFAARN O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011451779 557150208 /nfs/dbraw/zinc/15/02/08/557150208.db2.gz UZRWRFNIAUGXMO-INIZCTEOSA-N 0 0 426.947 2.675 50 0 IFAARN COc1cc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)ccc1OC(F)F ZINC000024571403 557151534 /nfs/dbraw/zinc/15/15/34/557151534.db2.gz WTNPACWVZLYQKZ-CQSZACIVSA-N 0 0 448.422 2.737 50 0 IFAARN C[C@@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000011482007 557152764 /nfs/dbraw/zinc/15/27/64/557152764.db2.gz ZCJKJJUBEFLHEU-GFCCVEGCSA-N 0 0 440.905 2.715 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000043941944 557153071 /nfs/dbraw/zinc/15/30/71/557153071.db2.gz VMVULHNWQXMFLF-UHFFFAOYSA-N 0 0 438.484 2.611 50 0 IFAARN CCCNC(=O)[C@@H](C)OC(=O)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000023277506 557153320 /nfs/dbraw/zinc/15/33/20/557153320.db2.gz TVZTVPNEJJWVRV-BXUZGUMPSA-N 0 0 439.361 2.754 50 0 IFAARN CCCNC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000023277508 557153327 /nfs/dbraw/zinc/15/33/27/557153327.db2.gz TVZTVPNEJJWVRV-SMDDNHRTSA-N 0 0 439.361 2.754 50 0 IFAARN C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc32)CCO1 ZINC000011495683 557153806 /nfs/dbraw/zinc/15/38/06/557153806.db2.gz PHPPHGHZTXQJSW-CYBMUJFWSA-N 0 0 445.472 2.741 50 0 IFAARN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000011494430 557153809 /nfs/dbraw/zinc/15/38/09/557153809.db2.gz AOTYOBQPYBZHFS-UHFFFAOYSA-N 0 0 436.468 2.614 50 0 IFAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000024615628 557155992 /nfs/dbraw/zinc/15/59/92/557155992.db2.gz HARROXBYVNUNCD-UHFFFAOYSA-N 0 0 430.888 2.727 50 0 IFAARN Cn1c2ncn(CC(=O)Nc3ccc(Oc4ccccc4Cl)cc3)c2c(=O)n(C)c1=O ZINC000011512560 557156031 /nfs/dbraw/zinc/15/60/31/557156031.db2.gz NBQAAQCAQRRYEY-UHFFFAOYSA-N 0 0 439.859 2.518 50 0 IFAARN CSCC[C@H](C(=O)N(C)CC(=O)Nc1cccc(F)c1)N1C(=O)c2ccccc2C1=O ZINC000018006927 557156092 /nfs/dbraw/zinc/15/60/92/557156092.db2.gz MKDZEYCQQYGHCS-GOSISDBHSA-N 0 0 443.500 2.641 50 0 IFAARN COc1ccc(NC(=O)CN(C)C(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000024648789 557157351 /nfs/dbraw/zinc/15/73/51/557157351.db2.gz GOJMPOFMEPYMPD-KSKOPSKJSA-N 0 0 427.545 2.813 50 0 IFAARN COc1ccc([C@@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2nccn2C)cc1 ZINC000024712204 557160058 /nfs/dbraw/zinc/16/00/58/557160058.db2.gz RUDRFJRGCDPKTD-OAQYLSRUSA-N 0 0 440.525 2.623 50 0 IFAARN COC(=O)c1sccc1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000024747421 557161715 /nfs/dbraw/zinc/16/17/15/557161715.db2.gz ORBLAPVMCUETAD-UHFFFAOYSA-N 0 0 448.566 2.520 50 0 IFAARN CCc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)c1 ZINC000024747436 557161802 /nfs/dbraw/zinc/16/18/02/557161802.db2.gz GIQKITJEORZIIW-KRWDZBQOSA-N 0 0 429.542 2.799 50 0 IFAARN Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095938934 557162241 /nfs/dbraw/zinc/16/22/41/557162241.db2.gz FLJARLFRPUHVQQ-CVEARBPZSA-N 0 0 439.578 2.716 50 0 IFAARN O=C(CCC(=O)c1ccc(I)cc1)NCCc1nnc2ccccn21 ZINC000011545454 557162675 /nfs/dbraw/zinc/16/26/75/557162675.db2.gz JZMLYAKLMFSCKN-UHFFFAOYSA-N 0 0 448.264 2.656 50 0 IFAARN CCCn1c(C(=O)NCCCc2cnc3cc(C)nn3c2)cc2c1nc1ccccn1c2=O ZINC000206821752 557162776 /nfs/dbraw/zinc/16/27/76/557162776.db2.gz QHJBVNXWPKSGHV-UHFFFAOYSA-N 0 0 443.511 2.773 50 0 IFAARN Cc1cc(F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000024755805 557163273 /nfs/dbraw/zinc/16/32/73/557163273.db2.gz LUKSMNSCJYCZCA-UHFFFAOYSA-N 0 0 438.955 2.544 50 0 IFAARN CS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000206787107 557163406 /nfs/dbraw/zinc/16/34/06/557163406.db2.gz JNSMVMVUEVBLDN-MRXNPFEDSA-N 0 0 441.475 2.832 50 0 IFAARN Cc1nc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)sc1C1N=NC(=S)N1C ZINC000024764607 557164927 /nfs/dbraw/zinc/16/49/27/557164927.db2.gz MWXBGVWZFAJVQU-ZDUSSCGKSA-N 0 0 444.542 2.906 50 0 IFAARN Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(n4ccnn4)CC3)cc2)c1 ZINC000206937495 557166663 /nfs/dbraw/zinc/16/66/63/557166663.db2.gz BTUHWHBHUWLRGF-UHFFFAOYSA-N 0 0 425.514 2.865 50 0 IFAARN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2Cc3ccccc3-c3ccccc3C2)CC1 ZINC000069924939 557167028 /nfs/dbraw/zinc/16/70/28/557167028.db2.gz XPCBRKBANGAJDA-UHFFFAOYSA-N 0 0 434.584 2.728 50 0 IFAARN O=S(=O)(CC1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000072230381 557168994 /nfs/dbraw/zinc/16/89/94/557168994.db2.gz RTIMUBDSVZYZQL-UHFFFAOYSA-N 0 0 427.013 2.618 50 0 IFAARN O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCN(C(=O)N2CCOCC2)CC1 ZINC000024836063 557172267 /nfs/dbraw/zinc/17/22/67/557172267.db2.gz APNILIFGBQHWMX-UHFFFAOYSA-N 0 0 432.524 2.900 50 0 IFAARN O=C(OCc1nc(-c2cccs2)no1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000024842408 557173658 /nfs/dbraw/zinc/17/36/58/557173658.db2.gz XEFKLDAWLRIXLC-UHFFFAOYSA-N 0 0 448.507 2.767 50 0 IFAARN O=C(c1cccnc1OCC(F)(F)F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000024865763 557175276 /nfs/dbraw/zinc/17/52/76/557175276.db2.gz RVEUIKDECJSBNC-UHFFFAOYSA-N 0 0 449.476 2.667 50 0 IFAARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C1 ZINC000024870091 557175661 /nfs/dbraw/zinc/17/56/61/557175661.db2.gz DXMJSDPLMTZQAK-IBGZPJMESA-N 0 0 446.507 2.813 50 0 IFAARN CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)cc1 ZINC000024873697 557175958 /nfs/dbraw/zinc/17/59/58/557175958.db2.gz NFLJOWOAJQRPOZ-OAQYLSRUSA-N 0 0 432.542 2.987 50 0 IFAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1nc(N)nc(N(C)C)n1 ZINC000024903976 557177947 /nfs/dbraw/zinc/17/79/47/557177947.db2.gz NJXBUJJYZCPRDL-WFASDCNBSA-N 0 0 444.540 2.950 50 0 IFAARN Cc1ccc(-c2nnc3n(Cc4cccc(Cl)c4)c4c(n23)n(C)c(=O)n(C)c4=O)cc1 ZINC000010969208 557178744 /nfs/dbraw/zinc/17/87/44/557178744.db2.gz HSDZCGLFFGMPRE-UHFFFAOYSA-N 0 0 434.887 2.759 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000010969334 557179888 /nfs/dbraw/zinc/17/98/88/557179888.db2.gz XLSJUCWXENYNAU-AWEZNQCLSA-N 0 0 425.510 2.953 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCn3c(C)nc4ccccc43)C2)s1 ZINC000024928480 557180404 /nfs/dbraw/zinc/18/04/04/557180404.db2.gz VGBPKVMZDFCEQU-QGZVFWFLSA-N 0 0 446.598 2.932 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000024934502 557181000 /nfs/dbraw/zinc/18/10/00/557181000.db2.gz JDTCSIHTSLWJCJ-UHFFFAOYSA-N 0 0 431.388 2.810 50 0 IFAARN CCOc1ccc(-c2nnc3n(Cc4cc(C)ccc4C)c4c(n23)n(C)c(=O)[nH]c4=O)cc1 ZINC000010970018 557181759 /nfs/dbraw/zinc/18/17/59/557181759.db2.gz QWYJZQNAAJCZPB-UHFFFAOYSA-N 0 0 444.495 2.802 50 0 IFAARN CCS(=O)(=O)c1ccccc1C(=O)OCc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000024977315 557184950 /nfs/dbraw/zinc/18/49/50/557184950.db2.gz YYJMMKCAGMKBEE-UHFFFAOYSA-N 0 0 432.523 2.785 50 0 IFAARN O=C(Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O)NCCc1ccccc1 ZINC000024983890 557185838 /nfs/dbraw/zinc/18/58/38/557185838.db2.gz GSYXCFXUJYSPTL-UHFFFAOYSA-N 0 0 441.413 2.960 50 0 IFAARN CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000024985571 557186183 /nfs/dbraw/zinc/18/61/83/557186183.db2.gz RMSJMHFEHJYAIL-WBMJQRKESA-N 0 0 446.447 2.796 50 0 IFAARN CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000024985566 557186187 /nfs/dbraw/zinc/18/61/87/557186187.db2.gz RMSJMHFEHJYAIL-BLLLJJGKSA-N 0 0 446.447 2.796 50 0 IFAARN COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1c(Cl)cccc1Cl ZINC000024985644 557186429 /nfs/dbraw/zinc/18/64/29/557186429.db2.gz DMDPKWGVWFHMSZ-ZUZCIYMTSA-N 0 0 433.313 2.694 50 0 IFAARN COC(=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1cccs1 ZINC000024987256 557186741 /nfs/dbraw/zinc/18/67/41/557186741.db2.gz TXEJQBOPSQHBIG-CQSZACIVSA-N 0 0 430.935 2.686 50 0 IFAARN CCn1c(CNC(=O)c2ccco2)nnc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009328622 557187222 /nfs/dbraw/zinc/18/72/22/557187222.db2.gz SGBMFXVSXMWSCV-GFCCVEGCSA-N 0 0 443.485 2.669 50 0 IFAARN Cc1ccc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1C ZINC000097996358 557188217 /nfs/dbraw/zinc/18/82/17/557188217.db2.gz PSEVMTFCJDAQPW-CPNJWEJPSA-N 0 0 437.521 2.886 50 0 IFAARN CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000024371560 557189825 /nfs/dbraw/zinc/18/98/25/557189825.db2.gz ARJAOFJYUMOJCW-UHFFFAOYSA-N 0 0 427.748 2.600 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2cccnc2SC(F)F)cc1 ZINC000025061512 557193275 /nfs/dbraw/zinc/19/32/75/557193275.db2.gz HUOZIJOPTYPOBZ-UHFFFAOYSA-N 0 0 432.470 2.882 50 0 IFAARN CCOc1ccc([C@H](CNC(=O)NCc2ccc(OC)cc2)N2CCOCC2)cc1OC ZINC000025062923 557193602 /nfs/dbraw/zinc/19/36/02/557193602.db2.gz NFXVGPDTFBTUBN-NRFANRHFSA-N 0 0 443.544 2.975 50 0 IFAARN COCCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1cc2ccccc2oc1=O ZINC000100872430 557193744 /nfs/dbraw/zinc/19/37/44/557193744.db2.gz PAWQWELMCVHELN-FCQUAONHSA-N 0 0 438.461 2.983 50 0 IFAARN Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc(F)ccc1F ZINC000009949142 557194745 /nfs/dbraw/zinc/19/47/45/557194745.db2.gz XCJRMSMYBBWMRX-UHFFFAOYSA-N 0 0 435.431 2.893 50 0 IFAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC(C)(C)c1noc(C(C)(C)C)n1)C2=O ZINC000060211189 557194934 /nfs/dbraw/zinc/19/49/34/557194934.db2.gz QIWAUTYWKSJSSY-XMHCIUCPSA-N 0 0 433.553 2.855 50 0 IFAARN CN1CCN(C(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c2nc3ccccc3nc21 ZINC000025092107 557195236 /nfs/dbraw/zinc/19/52/36/557195236.db2.gz PQMOKHIGENXYIS-UHFFFAOYSA-N 0 0 437.422 2.824 50 0 IFAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(I)c(C)c2)CC1 ZINC000096305775 557195339 /nfs/dbraw/zinc/19/53/39/557195339.db2.gz KHPDAQKRCQNCIV-UHFFFAOYSA-N 0 0 437.299 2.563 50 0 IFAARN O=C([O-])[C@H](NC(=O)C1CCC(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1 ZINC000025107279 557195567 /nfs/dbraw/zinc/19/55/67/557195567.db2.gz NTLOSRFHIIJIAF-OHGOEXECSA-N 0 0 449.551 2.566 50 0 IFAARN CCOC(=O)Cn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)CCc1ccccc1 ZINC000100877388 557195686 /nfs/dbraw/zinc/19/56/86/557195686.db2.gz ZXELWPJYJKNXFH-DQRAZIAOSA-N 0 0 446.550 2.730 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2Br)c1 ZINC000025126883 557195874 /nfs/dbraw/zinc/19/58/74/557195874.db2.gz WBFBPTUJQFQCTA-UHFFFAOYSA-N 0 0 429.311 2.913 50 0 IFAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cnc2ccccn2c1=O ZINC000025171115 557198351 /nfs/dbraw/zinc/19/83/51/557198351.db2.gz XLFJZXLFBHZHSP-UHFFFAOYSA-N 0 0 438.440 2.887 50 0 IFAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C2CC2)CC1)OCc1ccccc1 ZINC000025170825 557198389 /nfs/dbraw/zinc/19/83/89/557198389.db2.gz ZZXBLFIWXXMRKR-JOCHJYFZSA-N 0 0 435.524 2.605 50 0 IFAARN COC(=O)C1(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CCCCC1 ZINC000025172176 557198654 /nfs/dbraw/zinc/19/86/54/557198654.db2.gz PIUHDQINIXCXFJ-QHCPKHFHSA-N 0 0 437.496 2.599 50 0 IFAARN COc1ccc(C(=O)CCC(=O)N2CCN(CCOc3ccccc3)CC2)cc1OC ZINC000025180041 557199107 /nfs/dbraw/zinc/19/91/07/557199107.db2.gz OPMUUHHCHXLNNE-UHFFFAOYSA-N 0 0 426.513 2.890 50 0 IFAARN Cc1cc(NC(=O)[C@H](NCc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc2)no1 ZINC000025215159 557200053 /nfs/dbraw/zinc/20/00/53/557200053.db2.gz YUURWELHFSALCE-JOCHJYFZSA-N 0 0 434.496 2.925 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNC(=O)Nc1ccccc1 ZINC000025260318 557201517 /nfs/dbraw/zinc/20/15/17/557201517.db2.gz RRDNATKLFOSZMK-UHFFFAOYSA-N 0 0 446.529 2.630 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)c2nc(SC)ncc2Cl)cc1OC ZINC000011575470 557203062 /nfs/dbraw/zinc/20/30/62/557203062.db2.gz OEQSOVWXELQBRK-JTQLQIEISA-N 0 0 425.894 2.731 50 0 IFAARN Cn1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)cn1 ZINC000025305869 557203121 /nfs/dbraw/zinc/20/31/21/557203121.db2.gz JZPARBNKWLXEPB-UHFFFAOYSA-N 0 0 428.470 2.635 50 0 IFAARN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)no1 ZINC000025329687 557204599 /nfs/dbraw/zinc/20/45/99/557204599.db2.gz PLOIXZCZAPDTFA-UHFFFAOYSA-N 0 0 440.525 2.742 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000011594349 557206912 /nfs/dbraw/zinc/20/69/12/557206912.db2.gz YFLFEPWUCDDWRL-UHFFFAOYSA-N 0 0 442.843 2.512 50 0 IFAARN COc1cc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc(OC)c1OC ZINC000011611635 557208566 /nfs/dbraw/zinc/20/85/66/557208566.db2.gz DHXBSJTVAAPQNT-UHFFFAOYSA-N 0 0 439.394 2.967 50 0 IFAARN Cc1nnc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4cccc(C)c4)c(=O)n32)s1 ZINC000011613390 557209569 /nfs/dbraw/zinc/20/95/69/557209569.db2.gz OCAAWCNUHRVRQT-ZDUSSCGKSA-N 0 0 439.526 2.726 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 ZINC000025456584 557210772 /nfs/dbraw/zinc/21/07/72/557210772.db2.gz MOQQUOLWRHYHQC-WMZHIEFXSA-N 0 0 425.460 2.965 50 0 IFAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3ccccc3Cl)c(=O)n3c2CCCCC3)no1 ZINC000169763951 557211446 /nfs/dbraw/zinc/21/14/46/557211446.db2.gz WSXYHXZAHKWPPE-UHFFFAOYSA-N 0 0 443.891 2.641 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000169770689 557212137 /nfs/dbraw/zinc/21/21/37/557212137.db2.gz REETZEOROASGEY-UHFFFAOYSA-N 0 0 428.439 2.926 50 0 IFAARN CNc1nc(-n2cnc(SCCOc3ccccc3C)n2)nc(N2CCCCC2)n1 ZINC000025496356 557212155 /nfs/dbraw/zinc/21/21/55/557212155.db2.gz GBVSSLWPQINLDN-UHFFFAOYSA-N 0 0 426.550 2.964 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000169777366 557212361 /nfs/dbraw/zinc/21/23/61/557212361.db2.gz AVGKKIKURWLFMI-UHFFFAOYSA-N 0 0 428.439 2.926 50 0 IFAARN CC(C)S(=O)(=O)N1CCN(CCNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000072243075 557213081 /nfs/dbraw/zinc/21/30/81/557213081.db2.gz GRLVNQNVLKGQEX-UHFFFAOYSA-N 0 0 429.995 2.640 50 0 IFAARN O=C(Cn1c(=O)sc2ccccc21)OCCOCCn1c(=O)sc2ccccc21 ZINC000025558227 557213991 /nfs/dbraw/zinc/21/39/91/557213991.db2.gz LAWZGEMHEOXUFU-UHFFFAOYSA-N 0 0 430.507 2.699 50 0 IFAARN CCCCN1C(=O)c2ccc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc2C1=O ZINC000025562510 557214718 /nfs/dbraw/zinc/21/47/18/557214718.db2.gz YQMGEEXVRVVWDV-LJQANCHMSA-N 0 0 441.553 2.948 50 0 IFAARN COc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1NS(C)(=O)=O ZINC000025599952 557218362 /nfs/dbraw/zinc/21/83/62/557218362.db2.gz OCKIHEFAGFCMSS-UHFFFAOYSA-N 0 0 445.545 2.845 50 0 IFAARN COc1cc(C(=O)N[C@H]2CCSc3ccccc32)ccc1OCC(=O)N1CCOCC1 ZINC000025607336 557219033 /nfs/dbraw/zinc/21/90/33/557219033.db2.gz JFXSVBASBCMCKQ-SFHVURJKSA-N 0 0 442.537 2.900 50 0 IFAARN C[C@@H](OC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000025644605 557220334 /nfs/dbraw/zinc/22/03/34/557220334.db2.gz RBIHVHRTASYOFE-OAHLLOKOSA-N 0 0 427.482 2.601 50 0 IFAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCN(C(=O)c3ccccc3)CC2)C1=O ZINC000025747418 557224199 /nfs/dbraw/zinc/22/41/99/557224199.db2.gz SWVCZKUXYODOQT-JOCHJYFZSA-N 0 0 426.904 2.523 50 0 IFAARN Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1CC(F)(F)F ZINC000010792231 557224609 /nfs/dbraw/zinc/22/46/09/557224609.db2.gz SKBDCAMCLNWYBT-UHFFFAOYSA-N 0 0 446.447 2.957 50 0 IFAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 ZINC000101075962 557226227 /nfs/dbraw/zinc/22/62/27/557226227.db2.gz HOZLIFOBQUNCMT-FPCVCCKLSA-N 0 0 430.302 2.778 50 0 IFAARN COc1ccccc1C(=O)c1c(NC(=O)CN(C)CC(=O)N(C)C)sc2c1CCCC2 ZINC000025794279 557226801 /nfs/dbraw/zinc/22/68/01/557226801.db2.gz OPLKGVLKWAEBLK-UHFFFAOYSA-N 0 0 443.569 2.825 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000011365038 557228417 /nfs/dbraw/zinc/22/84/17/557228417.db2.gz IHBGEULVDBJBBT-UHFFFAOYSA-N 0 0 430.482 2.609 50 0 IFAARN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000025901423 557229747 /nfs/dbraw/zinc/22/97/47/557229747.db2.gz PCORALLRVOMANM-WMZOPIPTSA-N 0 0 429.542 2.788 50 0 IFAARN CN(C)C(=O)CN1CCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)CC1 ZINC000025956185 557231060 /nfs/dbraw/zinc/23/10/60/557231060.db2.gz XNFWSUFRQBORIX-UHFFFAOYSA-N 0 0 446.910 2.577 50 0 IFAARN Cc1ccc2c(C)c(CCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)c(=O)oc2c1 ZINC000018038737 557232240 /nfs/dbraw/zinc/23/22/40/557232240.db2.gz FAXSYVSWDGGGDU-UHFFFAOYSA-N 0 0 425.485 2.874 50 0 IFAARN COc1cccc(-c2nnc3ccc(OCCNC(=O)c4c(F)cccc4F)nn32)c1 ZINC000011693900 557232931 /nfs/dbraw/zinc/23/29/31/557232931.db2.gz FBSMMRDVYDZZMS-UHFFFAOYSA-N 0 0 425.395 2.887 50 0 IFAARN Cc1cccc(C(=O)NCCC(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1 ZINC000026081439 557233566 /nfs/dbraw/zinc/23/35/66/557233566.db2.gz NHWWFTYOHSGMRG-UHFFFAOYSA-N 0 0 429.948 2.992 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(C(=O)NC)cc2)C2CC2)c1 ZINC000026118013 557234939 /nfs/dbraw/zinc/23/49/39/557234939.db2.gz RQERELSCIHRQGN-UHFFFAOYSA-N 0 0 443.569 2.882 50 0 IFAARN CCOc1ccc(-c2noc(Cn3c(=O)c4ccc(C(F)(F)F)nc4n(C)c3=O)n2)cc1 ZINC000026131888 557236130 /nfs/dbraw/zinc/23/61/30/557236130.db2.gz MOIWRQNQJPYVKY-UHFFFAOYSA-N 0 0 447.373 2.611 50 0 IFAARN CCOc1ccc(NC(=O)Cc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000018092466 557236352 /nfs/dbraw/zinc/23/63/52/557236352.db2.gz JGWITFHELURKSZ-UHFFFAOYSA-N 0 0 438.933 2.941 50 0 IFAARN C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O ZINC000026163573 557236852 /nfs/dbraw/zinc/23/68/52/557236852.db2.gz NWTPRWPZZSZLIS-OAQYLSRUSA-N 0 0 430.844 2.893 50 0 IFAARN CCC(=O)N(c1nnc(SCc2cccc(S(=O)(=O)N(C)C)c2)s1)C1CC1 ZINC000026202497 557237070 /nfs/dbraw/zinc/23/70/70/557237070.db2.gz BEVISSVLHBIQCW-UHFFFAOYSA-N 0 0 426.589 2.986 50 0 IFAARN COc1ccc(S(=O)(=O)NCCNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 ZINC000026191461 557237077 /nfs/dbraw/zinc/23/70/77/557237077.db2.gz XHIWLSKURRDPTK-UHFFFAOYSA-N 0 0 428.510 2.567 50 0 IFAARN COc1ccc(S(=O)(=O)NCCNC(=O)c2csc(-c3ccc(C)cc3)n2)cc1 ZINC000026187816 557237116 /nfs/dbraw/zinc/23/71/16/557237116.db2.gz HVATTXIZFRECQE-UHFFFAOYSA-N 0 0 431.539 2.835 50 0 IFAARN Cc1ccc(N2C(=O)C[C@H](N(O)[C@H]3CC(=O)N(c4ccc(C)cc4C)C3=O)C2=O)c(C)c1 ZINC000101089331 557237192 /nfs/dbraw/zinc/23/71/92/557237192.db2.gz OKOPGRVLYHLRNB-PMACEKPBSA-N 0 0 435.480 2.575 50 0 IFAARN O=C(CSc1nccc(C(F)(F)F)n1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000026340782 557239412 /nfs/dbraw/zinc/23/94/12/557239412.db2.gz HZDJNVSSMCVNBF-ZDUSSCGKSA-N 0 0 431.461 2.808 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCn1cccn1 ZINC000604406281 557239882 /nfs/dbraw/zinc/23/98/82/557239882.db2.gz ZYJJPECEPBHILE-JOCHJYFZSA-N 0 0 429.480 2.595 50 0 IFAARN COc1ccc(C(=O)NCc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)no2)cc1F ZINC000583649681 557240619 /nfs/dbraw/zinc/24/06/19/557240619.db2.gz UDVOPVHHQYTORC-OAHLLOKOSA-N 0 0 442.422 2.803 50 0 IFAARN COC(=O)C1CCN(C(=O)CN2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000026457431 557241305 /nfs/dbraw/zinc/24/13/05/557241305.db2.gz WAMDDZKBJKUJRD-KRWDZBQOSA-N 0 0 442.343 2.808 50 0 IFAARN Cc1ccc(OCC(=O)NCc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)no2)cc1 ZINC000583648984 557241866 /nfs/dbraw/zinc/24/18/66/557241866.db2.gz GWQUXFWDHKEADZ-KRWDZBQOSA-N 0 0 438.459 2.728 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCc1cc(C)no1)n2C ZINC000026468655 557242117 /nfs/dbraw/zinc/24/21/17/557242117.db2.gz NOGOPRASPPYXNB-UHFFFAOYSA-N 0 0 434.518 2.576 50 0 IFAARN Cc1ccc([C@H](NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c2cccs2)cc1 ZINC000026492844 557242559 /nfs/dbraw/zinc/24/25/59/557242559.db2.gz FIIYMXOHRJDRRJ-IBGZPJMESA-N 0 0 425.510 2.996 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CN(C)[C@@H]2CCc3ccccc32)c1=O ZINC000026554575 557244449 /nfs/dbraw/zinc/24/44/49/557244449.db2.gz CYTGXIVFLRDBEI-LJQANCHMSA-N 0 0 428.558 2.650 50 0 IFAARN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)C(C)C ZINC000026642810 557245791 /nfs/dbraw/zinc/24/57/91/557245791.db2.gz DPWXHYLUOQEQAX-FQEVSTJZSA-N 0 0 431.558 2.947 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCCn1ccnc1 ZINC000604404143 557246974 /nfs/dbraw/zinc/24/69/74/557246974.db2.gz KCDUCFRQSKWOOA-QHCPKHFHSA-N 0 0 443.507 2.985 50 0 IFAARN CSc1nc(C)c(CCC(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(C)n1 ZINC000026706704 557247107 /nfs/dbraw/zinc/24/71/07/557247107.db2.gz PLIVLEZNKFNQSM-HXUWFJFHSA-N 0 0 429.542 2.891 50 0 IFAARN Cn1ccnc1[C@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccc(F)cc1 ZINC000026741202 557247418 /nfs/dbraw/zinc/24/74/18/557247418.db2.gz XHUSYDVOGXLXIE-GOSISDBHSA-N 0 0 443.529 2.768 50 0 IFAARN Cc1noc(CNC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)n1 ZINC000604404852 557248115 /nfs/dbraw/zinc/24/81/15/557248115.db2.gz HEEBIORQLSQJNC-NRFANRHFSA-N 0 0 431.452 2.589 50 0 IFAARN Cc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1S(N)(=O)=O ZINC000026902559 557250479 /nfs/dbraw/zinc/25/04/79/557250479.db2.gz UXIALKBMQXLKIY-UHFFFAOYSA-N 0 0 437.930 2.879 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CCn1c2ccccc2oc1=O ZINC000026907983 557250863 /nfs/dbraw/zinc/25/08/63/557250863.db2.gz NWJRNRRJTZMZHR-JOCHJYFZSA-N 0 0 431.496 2.570 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CCn1c2ccccc2oc1=O ZINC000026907980 557250961 /nfs/dbraw/zinc/25/09/61/557250961.db2.gz NWJRNRRJTZMZHR-QFIPXVFZSA-N 0 0 431.496 2.570 50 0 IFAARN CC(C)c1nn2c(nc(CSCC(=O)Nc3c4c(nn3C)CSC4)cc2=O)s1 ZINC000604418986 557251186 /nfs/dbraw/zinc/25/11/86/557251186.db2.gz CHJLQAIEBXQSIC-UHFFFAOYSA-N 0 0 436.588 2.627 50 0 IFAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1ccc(O)cc1 ZINC000604419562 557251580 /nfs/dbraw/zinc/25/15/80/557251580.db2.gz CREGCCFYSPOVDA-QHCPKHFHSA-N 0 0 427.460 2.866 50 0 IFAARN CCCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000101094178 557252168 /nfs/dbraw/zinc/25/21/68/557252168.db2.gz XKIDNFRBKNXTPY-UHFFFAOYSA-N 0 0 442.497 2.606 50 0 IFAARN C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C ZINC000018219717 557252268 /nfs/dbraw/zinc/25/22/68/557252268.db2.gz ZYQNSJJSVZYJKZ-GFCCVEGCSA-N 0 0 438.488 2.974 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390830780 557253733 /nfs/dbraw/zinc/25/37/33/557253733.db2.gz NJHVFQQIAXOACG-GOSISDBHSA-N 0 0 425.576 2.631 50 0 IFAARN O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000101097052 557254527 /nfs/dbraw/zinc/25/45/27/557254527.db2.gz JKBMCKGAWQMYHU-DVSDUFGPSA-N 0 0 425.847 2.910 50 0 IFAARN CCCCOc1ccccc1/C=c1/sc2nc(=O)c(Cc3ccc(OC)cc3)nn2c1=O ZINC000027021441 557255196 /nfs/dbraw/zinc/25/51/96/557255196.db2.gz ZMDPRQGTJNRBGN-RCCKNPSSSA-N 0 0 449.532 2.837 50 0 IFAARN CCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)cc1OC ZINC000027023068 557255614 /nfs/dbraw/zinc/25/56/14/557255614.db2.gz KAGBXHXEROPFGA-KGENOOAVSA-N 0 0 434.517 2.970 50 0 IFAARN COc1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)cc1Cl ZINC000390830190 557256612 /nfs/dbraw/zinc/25/66/12/557256612.db2.gz JILXLVRFUBGKJF-GOSISDBHSA-N 0 0 429.947 2.899 50 0 IFAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000024945584 557258567 /nfs/dbraw/zinc/25/85/67/557258567.db2.gz NJLQKDGQSOJKKP-UHFFFAOYSA-N 0 0 434.496 2.866 50 0 IFAARN COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(Br)cc4)C(O)=C23)cc1 ZINC000100355445 557258702 /nfs/dbraw/zinc/25/87/02/557258702.db2.gz LPWCGQSHIPNJPH-YOEHRIQHSA-N 0 0 429.226 2.585 50 0 IFAARN O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000027256304 557259484 /nfs/dbraw/zinc/25/94/84/557259484.db2.gz OFKWEVOZOQMQTF-LJQANCHMSA-N 0 0 444.582 2.710 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000027406244 557261875 /nfs/dbraw/zinc/26/18/75/557261875.db2.gz LFWMRGTWRFVFFV-DZKIICNBSA-N 0 0 444.479 2.643 50 0 IFAARN CCNC(=S)N(Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000100605972 557266000 /nfs/dbraw/zinc/26/60/00/557266000.db2.gz JGMGNQNGRTYPIJ-SFHVURJKSA-N 0 0 425.510 2.502 50 0 IFAARN Cc1ccc(CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C2CC2)cc1 ZINC000027594823 557267278 /nfs/dbraw/zinc/26/72/78/557267278.db2.gz XPJSNOAFGBIYIT-UHFFFAOYSA-N 0 0 445.560 2.632 50 0 IFAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000011021848 557268590 /nfs/dbraw/zinc/26/85/90/557268590.db2.gz JTMQVWUQSVSBNA-GFCCVEGCSA-N 0 0 435.493 2.861 50 0 IFAARN CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)cc1 ZINC000027663115 557269487 /nfs/dbraw/zinc/26/94/87/557269487.db2.gz HXLAWEZUFXMZIE-CQSZACIVSA-N 0 0 448.566 2.805 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1CCCO)N[C@H]1CCOc2ccccc21 ZINC000027675492 557271302 /nfs/dbraw/zinc/27/13/02/557271302.db2.gz DMZPLCDKTITZNF-SFHVURJKSA-N 0 0 425.510 2.511 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)CSc2nnc(N3CCCC3)n2C2CC2)n1 ZINC000022989088 557275470 /nfs/dbraw/zinc/27/54/70/557275470.db2.gz LAIFRUQOQMRUCQ-UHFFFAOYSA-N 0 0 436.563 2.506 50 0 IFAARN CSCC[C@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000101416829 557284875 /nfs/dbraw/zinc/28/48/75/557284875.db2.gz VATMIQDCCLIWDR-GBESFXJTSA-N 0 0 443.569 2.814 50 0 IFAARN O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000101444559 557285692 /nfs/dbraw/zinc/28/56/92/557285692.db2.gz XVFQESNBXYQSTJ-VFMKGFAKSA-N 0 0 428.488 2.934 50 0 IFAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000101628335 557293014 /nfs/dbraw/zinc/29/30/14/557293014.db2.gz JDVOUYZDRPNJLY-HDICACEKSA-N 0 0 434.558 2.791 50 0 IFAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000101628144 557293025 /nfs/dbraw/zinc/29/30/25/557293025.db2.gz NAJIFUXAVRXACK-HDICACEKSA-N 0 0 434.558 2.935 50 0 IFAARN CN(C)[C@H](CNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1)c1ccco1 ZINC000101703296 557294230 /nfs/dbraw/zinc/29/42/30/557294230.db2.gz BTCXJPUSTDQFIT-QGZVFWFLSA-N 0 0 428.920 2.570 50 0 IFAARN O=C(NCCn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000011665948 557294544 /nfs/dbraw/zinc/29/45/44/557294544.db2.gz BZNXZQXMCZFJNK-UHFFFAOYSA-N 0 0 445.502 2.722 50 0 IFAARN COc1cc(OC)c(NC(=O)Cn2ncn3nc(-c4ccccc4)cc3c2=O)cc1Cl ZINC000011666368 557297431 /nfs/dbraw/zinc/29/74/31/557297431.db2.gz VPOSCIWUANFJDL-UHFFFAOYSA-N 0 0 439.859 2.867 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)c(C)c1 ZINC000013135761 557298394 /nfs/dbraw/zinc/29/83/94/557298394.db2.gz SYSLVXVLEMBQFP-UHFFFAOYSA-N 0 0 427.320 2.806 50 0 IFAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)o1 ZINC000101826189 557299554 /nfs/dbraw/zinc/29/95/54/557299554.db2.gz XXHLSKXVEFJNAZ-GJZGRUSLSA-N 0 0 444.513 2.543 50 0 IFAARN COc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccccc4)ccc3c2=O)cc1OC ZINC000084459763 557303295 /nfs/dbraw/zinc/30/32/95/557303295.db2.gz VKRXLFHCCCBBMR-UHFFFAOYSA-N 0 0 445.475 2.669 50 0 IFAARN Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000014136514 557309127 /nfs/dbraw/zinc/30/91/27/557309127.db2.gz XEOHPTDSCXXQGY-UHFFFAOYSA-N 0 0 441.509 2.601 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)NC(=O)NCCC1=CCCCC1 ZINC000014163462 557312124 /nfs/dbraw/zinc/31/21/24/557312124.db2.gz ZWHNSJFQKPBYCP-HXUWFJFHSA-N 0 0 447.507 2.840 50 0 IFAARN CC(=O)N(C[C@H](O)c1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000100113920 557314621 /nfs/dbraw/zinc/31/46/21/557314621.db2.gz SDVHDVJKYTZOBK-ROUUACIJSA-N 0 0 431.286 2.663 50 0 IFAARN COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000032764740 557315481 /nfs/dbraw/zinc/31/54/81/557315481.db2.gz YMPLPOZZXSRHPB-BJMVGYQFSA-N 0 0 440.496 2.719 50 0 IFAARN Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)n1Cc1ccco1 ZINC000102285577 557317205 /nfs/dbraw/zinc/31/72/05/557317205.db2.gz FDVDXLOBFVGXNU-ROUUACIJSA-N 0 0 426.469 2.647 50 0 IFAARN CC[C@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O ZINC000032947224 557317721 /nfs/dbraw/zinc/31/77/21/557317721.db2.gz AJTFAPPQWZJZOY-QWRGUYRKSA-N 0 0 428.352 2.547 50 0 IFAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(=O)NCc3ccco3)c1)c2=O ZINC000032959309 557319108 /nfs/dbraw/zinc/31/91/08/557319108.db2.gz QCTXJTJHODGRCD-UHFFFAOYSA-N 0 0 435.461 2.984 50 0 IFAARN O=C(COC(=O)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1)Nc1ccccc1 ZINC000032986885 557320052 /nfs/dbraw/zinc/32/00/52/557320052.db2.gz MWRKXDLCFQJEAR-OAQYLSRUSA-N 0 0 437.477 2.885 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2ccccc2)c1C(=O)N1CCCCC1 ZINC000032996452 557322153 /nfs/dbraw/zinc/32/21/53/557322153.db2.gz XUCFREDLKLUAFW-UHFFFAOYSA-N 0 0 432.546 2.565 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)C1 ZINC000033005306 557322210 /nfs/dbraw/zinc/32/22/10/557322210.db2.gz HDELAIDSIBPCEG-QGZVFWFLSA-N 0 0 430.526 2.927 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(Br)cc2)cc1 ZINC000000832639 557326327 /nfs/dbraw/zinc/32/63/27/557326327.db2.gz MBNPERTUCOQMSU-XCVCLJGOSA-N 0 0 440.344 2.623 50 0 IFAARN COc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)c1 ZINC000024589768 557327882 /nfs/dbraw/zinc/32/78/82/557327882.db2.gz NVAXPFMMPRTLRJ-HNNXBMFYSA-N 0 0 427.526 2.867 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(c2nccn3cnnc23)[C@@H](C)C1)c1cccc2ccccc21 ZINC000221947864 557329251 /nfs/dbraw/zinc/32/92/51/557329251.db2.gz VGZDXPCHLSSYJO-ZWKOTPCHSA-N 0 0 429.528 2.665 50 0 IFAARN CCn1c(=O)c(N2CCC(C(=O)NC3CCCCC3)CC2)c(C)n(-c2ccccc2)c1=O ZINC000033258718 557329463 /nfs/dbraw/zinc/32/94/63/557329463.db2.gz JKSCIHZNCQVOCM-UHFFFAOYSA-N 0 0 438.572 2.993 50 0 IFAARN Cc1noc(Cn2cnc3c4ccccc4n(CC(=O)Nc4ccc(F)cc4)c3c2=O)n1 ZINC000033280912 557331572 /nfs/dbraw/zinc/33/15/72/557331572.db2.gz CEMPXZIIWUKKOJ-UHFFFAOYSA-N 0 0 432.415 2.869 50 0 IFAARN CC[C@@H](C)NC(=O)Cn1c2ccc(C)cc2c2ncn(Cc3nc(C4CC4)no3)c(=O)c21 ZINC000033281218 557331621 /nfs/dbraw/zinc/33/16/21/557331621.db2.gz LDYQDPASIGKDTF-CQSZACIVSA-N 0 0 434.500 2.883 50 0 IFAARN CCc1cccc2c(C=C3NC(=S)N(C)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c21 ZINC000033403829 557334176 /nfs/dbraw/zinc/33/41/76/557334176.db2.gz KMBZKANPCUTVOD-VHWUNXFSSA-N 0 0 426.542 2.598 50 0 IFAARN CN(C)c1nc(N)nc(COC(=O)COc2ccc3ccccc3c2Br)n1 ZINC000024974753 557342852 /nfs/dbraw/zinc/34/28/52/557342852.db2.gz APVPTAUZLQOSSR-UHFFFAOYSA-N 0 0 432.278 2.558 50 0 IFAARN COC(=O)C[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)cc1 ZINC000011671323 557345462 /nfs/dbraw/zinc/34/54/62/557345462.db2.gz GGIMCJKVRKOXSC-GOSISDBHSA-N 0 0 436.917 2.914 50 0 IFAARN CC(C)CC[C@H](C)NC(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000014640560 557346619 /nfs/dbraw/zinc/34/66/19/557346619.db2.gz AXNVRNQRWJJLSO-KRWDZBQOSA-N 0 0 434.558 2.992 50 0 IFAARN CCOC(=O)c1nc2ccccc2nc1N1CCN(C(=O)c2cccnc2Cl)CC1 ZINC000023334490 557349325 /nfs/dbraw/zinc/34/93/25/557349325.db2.gz OASHPYQRDFBGSQ-UHFFFAOYSA-N 0 0 425.876 2.817 50 0 IFAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000011676276 557350328 /nfs/dbraw/zinc/35/03/28/557350328.db2.gz BXHUUGIKQBUDNP-OALUTQOASA-N 0 0 426.513 2.698 50 0 IFAARN Cc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C/N[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000102583361 557355356 /nfs/dbraw/zinc/35/53/56/557355356.db2.gz WXEOBIUYQUXUGG-JQFNYASXSA-N 0 0 430.913 2.953 50 0 IFAARN Cc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C/N[C@H]2CCS(=O)(=O)C2)C1=O ZINC000102583367 557355545 /nfs/dbraw/zinc/35/55/45/557355545.db2.gz WXEOBIUYQUXUGG-GZQZNAIASA-N 0 0 430.913 2.953 50 0 IFAARN Cc1c(Cl)cccc1N1C(=O)C[C@H](N2CCN(CCOc3ccccc3)CC2)C1=O ZINC000102701075 557365355 /nfs/dbraw/zinc/36/53/55/557365355.db2.gz YRWKNAPPVFWRDY-NRFANRHFSA-N 0 0 427.932 2.977 50 0 IFAARN O=c1[nH]c2cc(S(=O)(=O)N3CCC[C@@H](Cc4nc(-c5ccsc5)no4)C3)ccc2o1 ZINC000220946978 557371445 /nfs/dbraw/zinc/37/14/45/557371445.db2.gz FRCBNJVWEOOODH-LBPRGKRZSA-N 0 0 446.510 2.876 50 0 IFAARN C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000023870702 557377034 /nfs/dbraw/zinc/37/70/34/557377034.db2.gz LZSADGNBYPURRS-VIFPVBQESA-N 0 0 438.797 2.727 50 0 IFAARN COc1ccc(OC)c(-c2ccc(=O)n(CCNC(=O)[C@@H](C)Oc3ccccc3F)n2)c1 ZINC000011694464 557392397 /nfs/dbraw/zinc/39/23/97/557392397.db2.gz MLXCEHDTZQTFFN-OAHLLOKOSA-N 0 0 441.459 2.650 50 0 IFAARN O=S(=O)(/C=C/c1ccccc1)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 ZINC000011694562 557392544 /nfs/dbraw/zinc/39/25/44/557392544.db2.gz GNJCPKQYJUQDFG-SDNWHVSQSA-N 0 0 439.472 2.900 50 0 IFAARN CC[C@@H](Sc1nnc(CC(=O)Nc2ccccc2OC)n1C)C(=O)NC1CCCC1 ZINC000013956498 557398569 /nfs/dbraw/zinc/39/85/69/557398569.db2.gz XGWAAPCALJKTAP-QGZVFWFLSA-N 0 0 431.562 2.934 50 0 IFAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(F)ccc3F)n2C)c1 ZINC000013956705 557398875 /nfs/dbraw/zinc/39/88/75/557398875.db2.gz JVJJPQKARWSNKH-UHFFFAOYSA-N 0 0 447.467 2.763 50 0 IFAARN O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000100308848 557398926 /nfs/dbraw/zinc/39/89/26/557398926.db2.gz MOWVSZAFYOSXCY-IBGZPJMESA-N 0 0 428.330 2.899 50 0 IFAARN Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCCC1 ZINC000013957483 557399103 /nfs/dbraw/zinc/39/91/03/557399103.db2.gz LBXRSYUDUAYPTH-UHFFFAOYSA-N 0 0 435.981 2.982 50 0 IFAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102858769 557399501 /nfs/dbraw/zinc/39/95/01/557399501.db2.gz JMGMPYKPDRIXKE-BETUJISGSA-N 0 0 438.311 2.732 50 0 IFAARN COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)c1 ZINC000102943312 557413375 /nfs/dbraw/zinc/41/33/75/557413375.db2.gz LUIRGRRWBQZTIC-KBPBESRZSA-N 0 0 427.482 2.717 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nn1cnc2scc(-c3ccccc3)c2c1=O ZINC000102956033 557413648 /nfs/dbraw/zinc/41/36/48/557413648.db2.gz HQJKWQCXDQZDPH-IYBDPMFKSA-N 0 0 448.504 2.536 50 0 IFAARN O=C(c1ccc(F)cc1Br)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014199481 557425639 /nfs/dbraw/zinc/42/56/39/557425639.db2.gz ZNAAIWYXMDPRFD-UHFFFAOYSA-N 0 0 427.295 2.735 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000103198715 557427227 /nfs/dbraw/zinc/42/72/27/557427227.db2.gz QWQVVCYMLAIGSD-GASCZTMLSA-N 0 0 449.488 2.646 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]2c2cccs2)C1=O ZINC000103366433 557433969 /nfs/dbraw/zinc/43/39/69/557433969.db2.gz YRQLMNONXCGWBO-JTSKRJEESA-N 0 0 426.542 2.860 50 0 IFAARN COC(=O)c1ccc(C=CC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)cc1 ZINC000014572042 557446415 /nfs/dbraw/zinc/44/64/15/557446415.db2.gz OTTRNFKGDNHXRE-YFPIXMDGSA-N 0 0 447.491 2.931 50 0 IFAARN COc1cccc(-c2ccc(=O)n(CC(=O)N[C@H](CC(C)C)c3nnc4ccccn43)n2)c1 ZINC000223223229 557447671 /nfs/dbraw/zinc/44/76/71/557447671.db2.gz FTQGYCMTQVAHRC-HXUWFJFHSA-N 0 0 446.511 2.865 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000223225282 557448262 /nfs/dbraw/zinc/44/82/62/557448262.db2.gz RQLZGPRGKSTWSN-DNVCBOLYSA-N 0 0 429.546 2.863 50 0 IFAARN COc1ccc2cnn(CC(=O)N[C@@H](c3nc4ccccc4n3C)C(C)C)c(=O)c2c1OC ZINC000223243346 557450524 /nfs/dbraw/zinc/45/05/24/557450524.db2.gz HCBTVIGUCKYXRP-OAQYLSRUSA-N 0 0 449.511 2.814 50 0 IFAARN CC(C)C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000104207315 557453128 /nfs/dbraw/zinc/45/31/28/557453128.db2.gz ZCHUQDGMAGXSQB-VSZNYVQBSA-N 0 0 444.532 2.700 50 0 IFAARN COc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)NCc2ccco2)cc1Cl ZINC000051316642 557464975 /nfs/dbraw/zinc/46/49/75/557464975.db2.gz FBQQOPVMTXSZRE-UHFFFAOYSA-N 0 0 445.888 2.772 50 0 IFAARN COc1cc(NC(=O)Cn2ncn3nc(-c4ccc(C)cc4C)cc3c2=O)cc(OC)c1 ZINC000051316977 557466027 /nfs/dbraw/zinc/46/60/27/557466027.db2.gz BLWPOBJDVUAUEJ-UHFFFAOYSA-N 0 0 433.468 2.831 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)N[C@@H](C)c4cccc(OC)c4)ncn3n2)cc1 ZINC000051316945 557466076 /nfs/dbraw/zinc/46/60/76/557466076.db2.gz RYQMPKBETDXKPY-INIZCTEOSA-N 0 0 447.495 2.843 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1ccccc1F ZINC000104937411 557466088 /nfs/dbraw/zinc/46/60/88/557466088.db2.gz MRZIBNOJDAVASX-MGPUTAFESA-N 0 0 447.507 2.614 50 0 IFAARN COC(=O)C1C(CN2CCN(c3ccccc3C)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318437 557469814 /nfs/dbraw/zinc/46/98/14/557469814.db2.gz FUGKMBCGSIMEQA-HSZRJFAPSA-N 0 0 434.540 2.907 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(C)nc1COc1ccc(OC)cc1 ZINC000051319365 557470365 /nfs/dbraw/zinc/47/03/65/557470365.db2.gz IUDKRETUOVEBFA-UHFFFAOYSA-N 0 0 437.452 2.565 50 0 IFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000105117278 557476135 /nfs/dbraw/zinc/47/61/35/557476135.db2.gz JDNMJGGAOGRPRJ-VGSWGCGISA-N 0 0 438.553 2.826 50 0 IFAARN COC(=O)c1ccc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000018372706 557499993 /nfs/dbraw/zinc/49/99/93/557499993.db2.gz DQGKTOUZCAXUEE-YKFJAUDESA-N 0 0 441.524 2.695 50 0 IFAARN COc1cccc([C@H](CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)N(C)C)c1 ZINC000105531654 557507224 /nfs/dbraw/zinc/50/72/24/557507224.db2.gz ALEWYHKOYUJCTI-NYHFZMIOSA-N 0 0 431.558 2.574 50 0 IFAARN COc1cccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)N(C)C)c1 ZINC000105531660 557507340 /nfs/dbraw/zinc/50/73/40/557507340.db2.gz ALEWYHKOYUJCTI-OYHNWAKOSA-N 0 0 431.558 2.574 50 0 IFAARN NS(=O)(=O)c1cc(C(=O)OCc2nc(-c3cccc(Br)c3)no2)cs1 ZINC000018389013 557509122 /nfs/dbraw/zinc/50/91/22/557509122.db2.gz XQPRPDYHCJZUMK-UHFFFAOYSA-N 0 0 444.288 2.565 50 0 IFAARN COc1ccc(OC)c2c1CN(CN1C(=O)[C@@H](C)N(c3ccc(C)cc3)C1=O)C[C@@H]2O ZINC000105637644 557509285 /nfs/dbraw/zinc/50/92/85/557509285.db2.gz ZZOBLQWYPSUENP-QAPCUYQASA-N 0 0 425.485 2.676 50 0 IFAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000105772124 557510446 /nfs/dbraw/zinc/51/04/46/557510446.db2.gz IWJDJQMESSMPDI-QRVBRYPASA-N 0 0 446.569 2.676 50 0 IFAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@H]4C2=O)no1 ZINC000106015603 557512706 /nfs/dbraw/zinc/51/27/06/557512706.db2.gz HIRQDSRUPIDXSW-HSSOGYSNSA-N 0 0 434.279 2.893 50 0 IFAARN CC[C@@H](C)NC(=O)Cn1nc(SC)c(-c2nc(-c3ccc(OC)c(OC)c3)no2)c1N ZINC000046915335 557514231 /nfs/dbraw/zinc/51/42/31/557514231.db2.gz WZJPMHMYDBJPKN-LLVKDONJSA-N 0 0 446.533 2.836 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccncc4)CC3)c3cnn(C)c3n2)cc1 ZINC000036613415 557516862 /nfs/dbraw/zinc/51/68/62/557516862.db2.gz VCNNNBAYBOPPQF-UHFFFAOYSA-N 0 0 442.523 2.997 50 0 IFAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012030571 557524018 /nfs/dbraw/zinc/52/40/18/557524018.db2.gz LMBLHNNRNNKNEN-CQSZACIVSA-N 0 0 431.894 2.692 50 0 IFAARN CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000012029780 557524941 /nfs/dbraw/zinc/52/49/41/557524941.db2.gz JPFAJHLXWXSUKC-IBGZPJMESA-N 0 0 437.539 2.687 50 0 IFAARN CCOc1ccc(CC(=O)NCCn2ncc3c2ncn(Cc2ccc(F)cc2)c3=O)cc1 ZINC000012071754 557526746 /nfs/dbraw/zinc/52/67/46/557526746.db2.gz DXYFESGEJRXTBJ-UHFFFAOYSA-N 0 0 449.486 2.538 50 0 IFAARN COc1ccc(Br)c(C(=O)NCCn2nc(-c3ccco3)n(C3CC3)c2=O)c1 ZINC000211074257 557532988 /nfs/dbraw/zinc/53/29/88/557532988.db2.gz SOZJMYNDDDEQEX-UHFFFAOYSA-N 0 0 447.289 2.841 50 0 IFAARN C[C@@H]1CN(c2cc(C(=O)NCc3ccccc3CN3C[C@H](C)O[C@@H](C)C3)ccn2)CCO1 ZINC000106920985 557533212 /nfs/dbraw/zinc/53/32/12/557533212.db2.gz BVKOKGVENBAURK-AABGKKOBSA-N 0 0 438.572 2.846 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1F ZINC000211106562 557534253 /nfs/dbraw/zinc/53/42/53/557534253.db2.gz FMGMKPFDSTYWCZ-MRXNPFEDSA-N 0 0 431.482 2.600 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1F ZINC000211106518 557534293 /nfs/dbraw/zinc/53/42/93/557534293.db2.gz FMGMKPFDSTYWCZ-INIZCTEOSA-N 0 0 431.482 2.600 50 0 IFAARN COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000108164651 557541752 /nfs/dbraw/zinc/54/17/52/557541752.db2.gz UXBCDFOHCFWTSB-JBYIUTFZSA-N 0 0 434.558 2.585 50 0 IFAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000109007756 557545055 /nfs/dbraw/zinc/54/50/55/557545055.db2.gz HQFJQXMCDAKBOI-CLCXKQKWSA-N 0 0 425.520 2.723 50 0 IFAARN CCCCN(CC)C(=O)CSc1n[nH]c(=O)c2cc(-c3ccc(OC)c(OC)c3)nn21 ZINC000045939236 557548367 /nfs/dbraw/zinc/54/83/67/557548367.db2.gz VPTRDFNJBKWRCG-UHFFFAOYSA-N 0 0 445.545 2.843 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1cccc(OC)c1)C(=O)CS2 ZINC000045960879 557554888 /nfs/dbraw/zinc/55/48/88/557554888.db2.gz VCHYSJVRPZIKPF-UHFFFAOYSA-N 0 0 441.553 2.932 50 0 IFAARN COc1ccc(-c2nn3c(nc(CNC(=O)COc4ccccc4F)cc3=O)s2)cc1 ZINC000045961495 557555317 /nfs/dbraw/zinc/55/53/17/557555317.db2.gz HZMRKGSRDZXNFV-UHFFFAOYSA-N 0 0 440.456 2.661 50 0 IFAARN COCCN(Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000045974069 557556008 /nfs/dbraw/zinc/55/60/08/557556008.db2.gz OMYATCYWTGFUJQ-UHFFFAOYSA-N 0 0 427.501 2.677 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)cc1 ZINC000045970771 557558291 /nfs/dbraw/zinc/55/82/91/557558291.db2.gz ZRDXWEQSAOJGQH-UHFFFAOYSA-N 0 0 441.513 2.741 50 0 IFAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)c(C)c1 ZINC000027643283 557675974 /nfs/dbraw/zinc/67/59/74/557675974.db2.gz LPVUFXPUFCAFJC-UHFFFAOYSA-N 0 0 429.933 2.944 50 0 IFAARN CC(=O)c1cccc(OC[C@@H](O)Cn2c(C[C@H]3CCS(=O)(=O)C3)nc3ccccc32)c1 ZINC000040050653 557685816 /nfs/dbraw/zinc/68/58/16/557685816.db2.gz VCNFEASNCDQVJS-MJGOQNOKSA-N 0 0 442.537 2.656 50 0 IFAARN CCCCn1c(N)c(N(C)C(=O)CCOc2cc(Cl)ccc2Cl)c(=O)[nH]c1=O ZINC000040140512 557697378 /nfs/dbraw/zinc/69/73/78/557697378.db2.gz NYPRMNGTQBHPJU-UHFFFAOYSA-N 0 0 429.304 2.658 50 0 IFAARN O[C@H](COc1cccc2c1CCCC2N=Nc1nncc2ccccc21)CN1CCOCC1 ZINC000096028142 557711645 /nfs/dbraw/zinc/71/16/45/557711645.db2.gz SFIIPLZCTLFSRI-ZCVHIRLZSA-N 0 0 447.539 2.854 50 0 IFAARN CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H](C[S@@](C)=O)c1ccccc1)c1cnn(C)c1 ZINC000225330039 557711664 /nfs/dbraw/zinc/71/16/64/557711664.db2.gz FCAVROKCEVKNSG-DGHVEJQWSA-N 0 0 434.562 2.564 50 0 IFAARN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)[nH]1 ZINC000225416327 557720680 /nfs/dbraw/zinc/72/06/80/557720680.db2.gz XCAICDXDKFOJKO-CHWSQXEVSA-N 0 0 437.566 2.895 50 0 IFAARN CNC(=O)C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 ZINC000225475589 557727258 /nfs/dbraw/zinc/72/72/58/557727258.db2.gz HVHQUZPISXSISF-ROUUACIJSA-N 0 0 444.329 2.796 50 0 IFAARN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C1=Cc2cc(Br)ccc2OC1 ZINC000225499550 557730726 /nfs/dbraw/zinc/73/07/26/557730726.db2.gz TYDWNSVOHXLBGL-UHFFFAOYSA-N 0 0 448.317 2.596 50 0 IFAARN CS(=O)(=O)CC[C@@H](c1nc(-c2ccccc2F)no1)N1C(=O)c2ccccc2C1=O ZINC000225525788 557735908 /nfs/dbraw/zinc/73/59/08/557735908.db2.gz XXMGYNBZTMFIEI-INIZCTEOSA-N 0 0 429.429 2.648 50 0 IFAARN COc1cccc(C[C@@H](C(=O)Nc2ccc(N3CCOCC3)c(C)c2)n2nnnc2C)c1 ZINC000225573627 557745015 /nfs/dbraw/zinc/74/50/15/557745015.db2.gz BIWRZTMPTOOQMU-QFIPXVFZSA-N 0 0 436.516 2.558 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)Nc1ccc(F)c(F)c1 ZINC000040478016 557753307 /nfs/dbraw/zinc/75/33/07/557753307.db2.gz JZDMYDFTIYLHHB-UHFFFAOYSA-N 0 0 430.802 2.607 50 0 IFAARN Cc1cc(NC(=O)CCN2CCn3c(Cc4cccc(Br)c4)nnc3C2)no1 ZINC000225675080 557761146 /nfs/dbraw/zinc/76/11/46/557761146.db2.gz XWMAVNBWWHIQAM-UHFFFAOYSA-N 0 0 445.321 2.772 50 0 IFAARN O=C(CCSc1ccccn1)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000225716455 557767744 /nfs/dbraw/zinc/76/77/44/557767744.db2.gz POXZGBLXIHFPSJ-SFHVURJKSA-N 0 0 431.533 2.537 50 0 IFAARN C[C@H](C(=O)NCCNC(=O)c1cccc(Br)c1)n1ccc2ccccc2c1=O ZINC000225749120 557772493 /nfs/dbraw/zinc/77/24/93/557772493.db2.gz FAYZOQPONKUERY-CQSZACIVSA-N 0 0 442.313 2.871 50 0 IFAARN COC(=O)c1cn(-c2cccc(NC(=O)N(Cc3ccco3)C[C@@H]3CCCO3)c2)nn1 ZINC000225850647 557785331 /nfs/dbraw/zinc/78/53/31/557785331.db2.gz YGADZFWPMLWDGX-SFHVURJKSA-N 0 0 425.445 2.860 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000034668480 557827912 /nfs/dbraw/zinc/82/79/12/557827912.db2.gz HDFKBYQBQAUUHN-UHFFFAOYSA-N 0 0 438.459 2.795 50 0 IFAARN COc1ccc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000229756287 557833022 /nfs/dbraw/zinc/83/30/22/557833022.db2.gz OIELMUHWJOVRFQ-SFNKJDCFSA-N 0 0 438.590 2.643 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)c1ccc([S@@](C)=O)cc1 ZINC000229977338 557834503 /nfs/dbraw/zinc/83/45/03/557834503.db2.gz JISNVGFEPRTYPA-DPJYYCOSSA-N 0 0 434.558 2.583 50 0 IFAARN CN1C(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2C1=O ZINC000000865005 557839069 /nfs/dbraw/zinc/83/90/69/557839069.db2.gz UWYKRLJRWXUQIE-UHFFFAOYSA-N 0 0 441.509 2.729 50 0 IFAARN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1COCCN1CC(F)(F)F ZINC000239760988 557844958 /nfs/dbraw/zinc/84/49/58/557844958.db2.gz CJBNZFGRTWQWCB-HOTGVXAUSA-N 0 0 437.865 2.995 50 0 IFAARN COc1cccc(CC(=O)N2CCN(C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1 ZINC000241942354 557847090 /nfs/dbraw/zinc/84/70/90/557847090.db2.gz ULVZNKQKSMGOGH-CYFREDJKSA-N 0 0 429.561 2.639 50 0 IFAARN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3[C@H](C)C[C@@H](C)C[C@@H]3C)=C2)cc1OC ZINC000245226277 557849556 /nfs/dbraw/zinc/84/95/56/557849556.db2.gz NQGKQBKWXLNWJL-QKDCVEJESA-N 0 0 435.546 2.603 50 0 IFAARN CSCC[C@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1C)N1C(=O)c2ccccc2C1=O ZINC000018700613 557854675 /nfs/dbraw/zinc/85/46/75/557854675.db2.gz PMRJKRIVMZNWBU-GOSISDBHSA-N 0 0 446.550 2.755 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCn2c3ccccc3oc2=O)c1 ZINC000018699749 557854726 /nfs/dbraw/zinc/85/47/26/557854726.db2.gz KNRZYIITHCCCLY-UHFFFAOYSA-N 0 0 431.514 2.962 50 0 IFAARN COc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000000886573 557855726 /nfs/dbraw/zinc/85/57/26/557855726.db2.gz XISFSKUOHSAJHA-MRXNPFEDSA-N 0 0 438.933 2.839 50 0 IFAARN CCOc1ccccc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 ZINC000000888978 557856947 /nfs/dbraw/zinc/85/69/47/557856947.db2.gz OJWUWBQQVYVXJF-UHFFFAOYSA-N 0 0 425.510 2.992 50 0 IFAARN COc1ccc([C@H]2C3=C(OC(C)=O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000852626 562919400 /nfs/dbraw/zinc/91/94/00/562919400.db2.gz XEAXZULFNGQILB-SFHVURJKSA-N 0 0 443.459 2.647 50 0 IFAARN COc1ccc([C@@H]2C3=C(OC(C)=O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000852625 562919415 /nfs/dbraw/zinc/91/94/15/562919415.db2.gz XEAXZULFNGQILB-GOSISDBHSA-N 0 0 443.459 2.647 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)O[C@@H]1CSC[C@@H]1NC(=O)c1ccccc1 ZINC000001070902 562920220 /nfs/dbraw/zinc/92/02/20/562920220.db2.gz RAJPRPMKDJYCLH-RBUKOAKNSA-N 0 0 438.505 2.520 50 0 IFAARN O=C(NCc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000001078775 562920341 /nfs/dbraw/zinc/92/03/41/562920341.db2.gz LWXRDJGGFLSGRM-HNNXBMFYSA-N 0 0 438.347 2.561 50 0 IFAARN CCOc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2)cc1OCC ZINC000001080191 562920396 /nfs/dbraw/zinc/92/03/96/562920396.db2.gz UWICAETZQUOGKT-UHFFFAOYSA-N 0 0 427.530 2.911 50 0 IFAARN Cc1cccc(C)c1OC[C@H](O)CNS(=O)(=O)c1ccccc1C(=O)N1CCCCC1 ZINC000002204320 562926374 /nfs/dbraw/zinc/92/63/74/562926374.db2.gz VDRAXOJTWGVSPU-LJQANCHMSA-N 0 0 446.569 2.648 50 0 IFAARN CN(C(=O)CCNC(=O)Cn1ccc2ccccc2c1=O)c1ccc(Br)cc1 ZINC000002601925 562928354 /nfs/dbraw/zinc/92/83/54/562928354.db2.gz VEJZWGOTMXDIPO-UHFFFAOYSA-N 0 0 442.313 2.933 50 0 IFAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCCc1ccc(F)cc1 ZINC000002625607 562928637 /nfs/dbraw/zinc/92/86/37/562928637.db2.gz VUKHMHXXIYLDHR-UHFFFAOYSA-N 0 0 431.467 2.980 50 0 IFAARN CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000002647338 562929129 /nfs/dbraw/zinc/92/91/29/562929129.db2.gz BECLOAAJCBMPTA-UHFFFAOYSA-N 0 0 436.555 2.745 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)NC[C@H]1CCCO1 ZINC000002653606 562929416 /nfs/dbraw/zinc/92/94/16/562929416.db2.gz FDDOGQVRPHQQFF-QGZVFWFLSA-N 0 0 427.501 2.971 50 0 IFAARN O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000002654476 562929465 /nfs/dbraw/zinc/92/94/65/562929465.db2.gz ZFUWXJURNBJGGU-UHFFFAOYSA-N 0 0 443.569 2.628 50 0 IFAARN O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000002939193 562930980 /nfs/dbraw/zinc/93/09/80/562930980.db2.gz QVLVCMTXTRILNC-UHFFFAOYSA-N 0 0 427.295 2.735 50 0 IFAARN COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)c(OC)c1 ZINC000002952563 562931091 /nfs/dbraw/zinc/93/10/91/562931091.db2.gz DHKKNATURGYDOF-UHFFFAOYSA-N 0 0 437.496 2.619 50 0 IFAARN O=C(NCc1ccccc1Cl)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000003007703 562931613 /nfs/dbraw/zinc/93/16/13/562931613.db2.gz OQTUDGKJUDDXLO-UHFFFAOYSA-N 0 0 439.899 2.653 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 ZINC000003200823 562932721 /nfs/dbraw/zinc/93/27/21/562932721.db2.gz XVLXBLLBCNMLDF-UHFFFAOYSA-N 0 0 429.479 2.606 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2)c1 ZINC000003236815 562933170 /nfs/dbraw/zinc/93/31/70/562933170.db2.gz IALBYCNCSKUTBF-UHFFFAOYSA-N 0 0 438.505 2.985 50 0 IFAARN O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1ncc(Cl)cc1Cl ZINC000003259210 562933484 /nfs/dbraw/zinc/93/34/84/562933484.db2.gz XUUXFAOHBUWLIQ-UHFFFAOYSA-N 0 0 436.251 2.947 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000003303039 562934019 /nfs/dbraw/zinc/93/40/19/562934019.db2.gz JOMUCBRZKFMIRL-QGZVFWFLSA-N 0 0 426.860 2.932 50 0 IFAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCCCCC1 ZINC000003318843 562934123 /nfs/dbraw/zinc/93/41/23/562934123.db2.gz XYHFRIWXLOMFMC-UHFFFAOYSA-N 0 0 428.938 2.684 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1 ZINC000003366712 562934928 /nfs/dbraw/zinc/93/49/28/562934928.db2.gz UHFKAOMOCSODLB-LLVKDONJSA-N 0 0 446.312 2.546 50 0 IFAARN CCN(C(=O)CSc1nc(C)nc2sc3c(c21)CCC3)[C@@H]1CCS(=O)(=O)C1 ZINC000003411714 562935372 /nfs/dbraw/zinc/93/53/72/562935372.db2.gz GHORBLORNKZRMZ-GFCCVEGCSA-N 0 0 425.601 2.616 50 0 IFAARN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)c32)C1 ZINC000003416939 562935472 /nfs/dbraw/zinc/93/54/72/562935472.db2.gz KOBDYNZIRHPFFW-VXGBXAGGSA-N 0 0 425.601 2.554 50 0 IFAARN O=C(COC(=O)c1cc2c(s1)CCCC2)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000003437445 562935859 /nfs/dbraw/zinc/93/58/59/562935859.db2.gz CKNJMOMFIWDRFC-GOSISDBHSA-N 0 0 447.578 3.000 50 0 IFAARN COc1cccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1OC ZINC000003529760 562936334 /nfs/dbraw/zinc/93/63/34/562936334.db2.gz IRWWTXUKBYFEAM-UHFFFAOYSA-N 0 0 447.509 2.918 50 0 IFAARN CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1=O ZINC000003555569 562936422 /nfs/dbraw/zinc/93/64/22/562936422.db2.gz FKNCMSOJYZXBLC-UHFFFAOYSA-N 0 0 429.498 2.585 50 0 IFAARN COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)cc1OC ZINC000003610769 562936757 /nfs/dbraw/zinc/93/67/57/562936757.db2.gz AJXCTFPXGXWOFS-VWLOTQADSA-N 0 0 447.491 2.940 50 0 IFAARN O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC000003631381 562936979 /nfs/dbraw/zinc/93/69/79/562936979.db2.gz WWKYMVNWQOSIRV-UHFFFAOYSA-N 0 0 440.500 2.556 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000004115420 562942110 /nfs/dbraw/zinc/94/21/10/562942110.db2.gz XYOPYBDQASLUFP-UHFFFAOYSA-N 0 0 448.932 2.636 50 0 aggregator IFAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1C(=O)NCCc1ccccc1 ZINC000004142962 562942232 /nfs/dbraw/zinc/94/22/32/562942232.db2.gz HZFVOJVVMYWYOD-UHFFFAOYSA-N 0 0 428.510 2.735 50 0 IFAARN Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 ZINC000004313011 562943086 /nfs/dbraw/zinc/94/30/86/562943086.db2.gz QTZJIXSVTFQGEQ-LBPRGKRZSA-N 0 0 425.511 2.659 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1Cl ZINC000006090182 562946234 /nfs/dbraw/zinc/94/62/34/562946234.db2.gz GEBRGNGSQBWNOF-UHFFFAOYSA-N 0 0 437.949 2.851 50 0 IFAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CCCCC1 ZINC000006577538 562947677 /nfs/dbraw/zinc/94/76/77/562947677.db2.gz UTZBTVHBSJJMHL-UHFFFAOYSA-N 0 0 435.546 2.608 50 0 aggregator IFAARN CCCCN(C)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000006577617 562947726 /nfs/dbraw/zinc/94/77/26/562947726.db2.gz JHUZOTLRKSSSLI-NRFANRHFSA-N 0 0 443.569 2.719 50 0 aggregator IFAARN COc1cc(Br)cc2cc(C(=O)N3CCN(c4ccccn4)CC3)c(=O)oc21 ZINC000006603473 562948154 /nfs/dbraw/zinc/94/81/54/562948154.db2.gz NMOWLZPXJNKWON-UHFFFAOYSA-N 0 0 444.285 2.922 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)C1 ZINC000006941866 562948630 /nfs/dbraw/zinc/94/86/30/562948630.db2.gz WALVRSGRPJYAPS-JZXOWHBKSA-N 0 0 427.998 2.891 50 0 IFAARN COc1ccc(NC(=O)C2=C(C)Nc3nc(CCCO)nn3[C@@H]2c2ccc(O)cc2)cc1 ZINC000008583686 562949791 /nfs/dbraw/zinc/94/97/91/562949791.db2.gz ZUGHLDNMVMDYKT-OAQYLSRUSA-N 0 0 435.484 2.845 50 0 IFAARN O=C(COc1ccc(Cl)cc1)Nc1nnc(S(=O)(=O)N2CCCCCC2)s1 ZINC000008587883 562950520 /nfs/dbraw/zinc/95/05/20/562950520.db2.gz NRMLQRYHZMMQRD-UHFFFAOYSA-N 0 0 430.939 2.774 50 0 IFAARN COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008590109 562951481 /nfs/dbraw/zinc/95/14/81/562951481.db2.gz AMZYQLHSUBPOAY-QGZVFWFLSA-N 0 0 427.478 2.631 50 0 IFAARN C[C@H](CNC(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)c1ccccc1 ZINC000008590424 562951708 /nfs/dbraw/zinc/95/17/08/562951708.db2.gz LSGFSSIEEHPNRU-CYBMUJFWSA-N 0 0 436.917 2.755 50 0 IFAARN C[C@@H](CNC(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)c1ccccc1 ZINC000008590423 562951722 /nfs/dbraw/zinc/95/17/22/562951722.db2.gz LSGFSSIEEHPNRU-ZDUSSCGKSA-N 0 0 436.917 2.755 50 0 IFAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3C)c(=O)n1CC(=O)N1CCCC1)n2C ZINC000008591691 562952093 /nfs/dbraw/zinc/95/20/93/562952093.db2.gz HSBNJXUJKKVSKO-UHFFFAOYSA-N 0 0 430.508 2.883 50 0 IFAARN Cc1noc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)ccc3C)c2=O)n1 ZINC000008593630 562952835 /nfs/dbraw/zinc/95/28/35/562952835.db2.gz HVRSJUCXDSAJED-UHFFFAOYSA-N 0 0 439.859 2.503 50 0 IFAARN CCOc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N4CCCC4)c(O)c3c2)cc1 ZINC000008595164 562953225 /nfs/dbraw/zinc/95/32/25/562953225.db2.gz QGJALQRIWOJUGP-UHFFFAOYSA-N 0 0 441.509 2.964 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc(OC)cc3)cc2C[C@@H]1C ZINC000008595251 562953345 /nfs/dbraw/zinc/95/33/45/562953345.db2.gz OQXGPKDEDRDEJC-INIZCTEOSA-N 0 0 444.553 2.863 50 0 IFAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cc2)C1 ZINC000008595444 562953444 /nfs/dbraw/zinc/95/34/44/562953444.db2.gz GNSZQWIFWYZZGZ-ZDUSSCGKSA-N 0 0 441.351 2.828 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N(C)c3ccc(OC)cc3)ccc21 ZINC000008595368 562953479 /nfs/dbraw/zinc/95/34/79/562953479.db2.gz FOJAGVGYLKMDLX-UHFFFAOYSA-N 0 0 430.526 2.821 50 0 IFAARN CCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(C)c1)N2 ZINC000008596346 562953768 /nfs/dbraw/zinc/95/37/68/562953768.db2.gz QOJJOLPHFSXMOY-HXUWFJFHSA-N 0 0 429.542 2.873 50 0 IFAARN CCCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(C)cc1)N2 ZINC000008596445 562953840 /nfs/dbraw/zinc/95/38/40/562953840.db2.gz RSXJJYOCJIUFBG-FQEVSTJZSA-N 0 0 429.542 2.873 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000008599075 562954583 /nfs/dbraw/zinc/95/45/83/562954583.db2.gz SLFKXZNOJAJHHU-LJQANCHMSA-N 0 0 436.505 2.703 50 0 IFAARN Cc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000008601493 562955367 /nfs/dbraw/zinc/95/53/67/562955367.db2.gz ASLNPSUGTIZDFI-QGZVFWFLSA-N 0 0 432.523 2.597 50 0 IFAARN O=C(NCCc1ccccc1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cccs1 ZINC000008601476 562955373 /nfs/dbraw/zinc/95/53/73/562955373.db2.gz WVTLMDKUQAEPSB-QGZVFWFLSA-N 0 0 448.591 2.800 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000008601646 562955541 /nfs/dbraw/zinc/95/55/41/562955541.db2.gz GZRYSCZZANWGRK-UHFFFAOYSA-N 0 0 444.943 2.766 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2cccs2)cc1F ZINC000008601914 562955731 /nfs/dbraw/zinc/95/57/31/562955731.db2.gz VPPDQUDMUKANFU-MRXNPFEDSA-N 0 0 445.515 2.982 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000008602723 562955892 /nfs/dbraw/zinc/95/58/92/562955892.db2.gz YHCZHEZDLWPMRF-INIZCTEOSA-N 0 0 448.545 2.551 50 0 IFAARN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1 ZINC000008604126 562956329 /nfs/dbraw/zinc/95/63/29/562956329.db2.gz MVEKDEBAFXEVKI-UHFFFAOYSA-N 0 0 441.553 2.904 50 0 aggregator IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2)c1N ZINC000008606946 562957184 /nfs/dbraw/zinc/95/71/84/562957184.db2.gz PRFLDYZXOHRZNA-UHFFFAOYSA-N 0 0 440.456 2.909 50 0 IFAARN COc1ccccc1CN1CCN(C2CCN(C(=O)Nc3ccccc3)CC2)C(=O)C1=O ZINC000008608309 562957502 /nfs/dbraw/zinc/95/75/02/562957502.db2.gz GBQLMLVGWGLCBD-UHFFFAOYSA-N 0 0 436.512 2.563 50 0 IFAARN Cn1ccc2cc(S(=O)(=O)N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)ccc21 ZINC000008609304 562957816 /nfs/dbraw/zinc/95/78/16/562957816.db2.gz XYAPZMZEFWARGZ-UHFFFAOYSA-N 0 0 434.468 2.995 50 0 IFAARN CC(C)CCNC(=O)c1ccc(Cn2c(SCC(N)=O)nc3ccccc3c2=O)cc1 ZINC000008610124 562958104 /nfs/dbraw/zinc/95/81/04/562958104.db2.gz ZBOPATSMSBEHND-UHFFFAOYSA-N 0 0 438.553 2.798 50 0 IFAARN Cc1nn(S(=O)(=O)c2cc(C)ccc2C)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000008611408 562958557 /nfs/dbraw/zinc/95/85/57/562958557.db2.gz KABUDUYUCFGKFT-UHFFFAOYSA-N 0 0 425.576 2.774 50 0 IFAARN COCCn1c(=O)c2c(nc1SCC(=O)N1CCCc3ccccc31)C[C@H](C)S2 ZINC000008623125 562959987 /nfs/dbraw/zinc/95/99/87/562959987.db2.gz TUGASCRYVWREDC-AWEZNQCLSA-N 0 0 431.583 2.998 50 0 IFAARN COC(=O)c1cc(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc(C(=O)OC)c1 ZINC000008654639 562960265 /nfs/dbraw/zinc/96/02/65/562960265.db2.gz BBYAQXCWNYOYRN-UHFFFAOYSA-N 0 0 449.463 2.739 50 0 IFAARN CC(=O)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)c1 ZINC000008671656 562960924 /nfs/dbraw/zinc/96/09/24/562960924.db2.gz YJCIHNIFSHMFRF-MRXNPFEDSA-N 0 0 430.511 2.686 50 0 IFAARN COc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)sc2c1 ZINC000008671964 562961011 /nfs/dbraw/zinc/96/10/11/562961011.db2.gz FERXXNVCCUNKBX-UHFFFAOYSA-N 0 0 432.527 2.739 50 0 IFAARN Cc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 ZINC000008680560 562961542 /nfs/dbraw/zinc/96/15/42/562961542.db2.gz HRZGERXHIOFQEU-UHFFFAOYSA-N 0 0 443.525 2.504 50 0 IFAARN CCOC(=O)CSc1nnc(CSc2nc(=O)c3c4c(sc3[nH]2)CCC4)n1C ZINC000008680826 562961601 /nfs/dbraw/zinc/96/16/01/562961601.db2.gz RGDIBFBJXPOJOY-UHFFFAOYSA-N 0 0 437.572 2.549 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000008680944 562961620 /nfs/dbraw/zinc/96/16/20/562961620.db2.gz IDOKZVLWQAAHJT-HNAYVOBHSA-N 0 0 434.514 2.610 50 0 IFAARN Cc1ccccc1NC(=O)Cn1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1N ZINC000008690984 562963318 /nfs/dbraw/zinc/96/33/18/562963318.db2.gz RAQNUHQOECDGKL-UHFFFAOYSA-N 0 0 427.530 2.938 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(Br)c3)C(C(=O)[C@@H]3CO3)=N2)cc1 ZINC000008691097 562963395 /nfs/dbraw/zinc/96/33/95/562963395.db2.gz YCFBQVVNYQQKNC-IRXDYDNUSA-N 0 0 449.326 2.870 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccc(Br)cc3)C(C(=O)[C@@H]3CO3)=N2)cc1 ZINC000008691099 562963415 /nfs/dbraw/zinc/96/34/15/562963415.db2.gz ZIMLEDCHIJAGIL-IRXDYDNUSA-N 0 0 449.326 2.870 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C[C@H](c3cccc(Br)c3)C(C(=O)[C@@H]3CO3)=N2)cc1 ZINC000008691096 562963421 /nfs/dbraw/zinc/96/34/21/562963421.db2.gz YCFBQVVNYQQKNC-SJORKVTESA-N 0 0 449.326 2.870 50 0 IFAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@@H]1c1cccc(O)c1 ZINC000008830844 562964870 /nfs/dbraw/zinc/96/48/70/562964870.db2.gz BHLKATAHDREZNF-OAQYLSRUSA-N 0 0 435.484 2.845 50 0 IFAARN Cc1c(C)c(=O)oc2c(C)c(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)ccc12 ZINC000008877668 562965667 /nfs/dbraw/zinc/96/56/67/562965667.db2.gz PAJBGQYAGYFSOC-MSOLQXFVSA-N 0 0 434.492 2.905 50 0 IFAARN CSc1ccc(CCNC(=O)[C@H]2CCCN(c3nn4c(nc(C)cc4=O)s3)C2)cc1 ZINC000008933797 562966257 /nfs/dbraw/zinc/96/62/57/562966257.db2.gz IDQPXSSDBVNJDS-INIZCTEOSA-N 0 0 443.598 2.757 50 0 IFAARN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NCc1ccco1 ZINC000008995581 562966488 /nfs/dbraw/zinc/96/64/88/562966488.db2.gz CAXMRHXEZIZOER-BEFAXECRSA-N 0 0 427.501 2.763 50 0 IFAARN CCCNS(=O)(=O)c1cccc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)c1 ZINC000009124996 562967450 /nfs/dbraw/zinc/96/74/50/562967450.db2.gz LIZAENKMYFYSKP-UHFFFAOYSA-N 0 0 431.466 2.847 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)c(F)c1F ZINC000009139688 562967862 /nfs/dbraw/zinc/96/78/62/562967862.db2.gz UOLFQGAPVFBEBG-UHFFFAOYSA-N 0 0 428.432 2.696 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NCc1c(F)cccc1Cl ZINC000009187473 562968024 /nfs/dbraw/zinc/96/80/24/562968024.db2.gz IIRDXZCQOLILEO-XABWTFMKSA-N 0 0 447.919 2.870 50 0 IFAARN CC(=O)c1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000009211603 562968212 /nfs/dbraw/zinc/96/82/12/562968212.db2.gz LTGKINYIWXFKFJ-CQSZACIVSA-N 0 0 428.510 2.989 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1N1CCCC1 ZINC000009222738 562968299 /nfs/dbraw/zinc/96/82/99/562968299.db2.gz NURWQGOILIKZPY-UHFFFAOYSA-N 0 0 435.571 2.550 50 0 IFAARN O=C(NC[C@H]1COc2ccccc2O1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000009283221 562968803 /nfs/dbraw/zinc/96/88/03/562968803.db2.gz JFCPYSRGDWCYPX-HNNXBMFYSA-N 0 0 436.917 2.694 50 0 IFAARN O=C(CSc1cccc2cccnc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009402861 562970019 /nfs/dbraw/zinc/97/00/19/562970019.db2.gz YCNDOIVOIFMLNM-UHFFFAOYSA-N 0 0 443.550 2.987 50 0 IFAARN CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2)s1 ZINC000009405048 562970091 /nfs/dbraw/zinc/97/00/91/562970091.db2.gz HWXAREXAEAWBRZ-UHFFFAOYSA-N 0 0 448.526 2.779 50 0 IFAARN COc1cccc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c2cccc(C)c2)c1 ZINC000009408194 562970231 /nfs/dbraw/zinc/97/02/31/562970231.db2.gz CSVSJVBJCLUMOY-MOPGFXCFSA-N 0 0 445.566 2.717 50 0 IFAARN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)c1 ZINC000009430846 562970675 /nfs/dbraw/zinc/97/06/75/562970675.db2.gz BCJYDXPHAPDKPK-QGZVFWFLSA-N 0 0 425.510 2.876 50 0 IFAARN COCCCn1c2nnc(CCCC(=O)NCc3ccccc3)n2c2ccsc2c1=O ZINC000009431339 562970722 /nfs/dbraw/zinc/97/07/22/562970722.db2.gz OGDXUBHQNDLNFD-UHFFFAOYSA-N 0 0 439.541 2.781 50 0 IFAARN COC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000009441035 562971142 /nfs/dbraw/zinc/97/11/42/562971142.db2.gz NXDQSKXGRIETPF-LBPRGKRZSA-N 0 0 448.522 2.708 50 0 IFAARN O=C(COC(=O)c1cccnc1Cl)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009441380 562971228 /nfs/dbraw/zinc/97/12/28/562971228.db2.gz SCCPIIPJTGMVEQ-UHFFFAOYSA-N 0 0 437.905 2.705 50 0 IFAARN Cc1cc(C2=NNC(=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)SC2)c(C)n1C ZINC000009491807 562972050 /nfs/dbraw/zinc/97/20/50/562972050.db2.gz OOGTWHZBEYMNMO-UHFFFAOYSA-N 0 0 447.586 2.582 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1 ZINC000009545114 562973077 /nfs/dbraw/zinc/97/30/77/562973077.db2.gz VLFVUWCKHDMGRP-UHFFFAOYSA-N 0 0 427.482 2.863 50 0 IFAARN COc1ccc(C(=O)OCc2c(F)cccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000009584966 562973617 /nfs/dbraw/zinc/97/36/17/562973617.db2.gz LZNYHUWVISAYBV-UHFFFAOYSA-N 0 0 443.880 2.866 50 0 IFAARN O=C(COC(=O)c1ccc(Cl)nc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009632875 562974487 /nfs/dbraw/zinc/97/44/87/562974487.db2.gz UALXSTSVGYNGLD-UHFFFAOYSA-N 0 0 437.905 2.705 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1C ZINC000009643398 562974758 /nfs/dbraw/zinc/97/47/58/562974758.db2.gz HPIOKCSPPMJYHB-SJLPKXTDSA-N 0 0 440.496 2.624 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1 ZINC000009662952 562974917 /nfs/dbraw/zinc/97/49/17/562974917.db2.gz USOZBSJBBOMPLC-UHFFFAOYSA-N 0 0 429.527 2.523 50 0 IFAARN CCOc1ccc(CNS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCC2)cc1OC ZINC000009684904 562975463 /nfs/dbraw/zinc/97/54/63/562975463.db2.gz ZIZNNLQDKMQUHA-UHFFFAOYSA-N 0 0 449.573 2.764 50 0 IFAARN Cc1cccc(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)c1C ZINC000009712573 562975699 /nfs/dbraw/zinc/97/56/99/562975699.db2.gz LXNCESPWHWFMLG-UHFFFAOYSA-N 0 0 444.542 2.641 50 0 IFAARN CCc1ccc(Nc2nnc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000009713767 562975848 /nfs/dbraw/zinc/97/58/48/562975848.db2.gz TUHMJSYRNLBNLB-CQSZACIVSA-N 0 0 426.589 2.582 50 0 IFAARN CCOc1ncccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C ZINC000009716144 562976000 /nfs/dbraw/zinc/97/60/00/562976000.db2.gz JOIGGAJHFFIDNL-UHFFFAOYSA-N 0 0 449.529 2.615 50 0 IFAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)cc1 ZINC000009746774 562976502 /nfs/dbraw/zinc/97/65/02/562976502.db2.gz OTZYVXBEQBLKHL-MRXNPFEDSA-N 0 0 439.534 2.575 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1cccc(OC)c1 ZINC000009761796 562976570 /nfs/dbraw/zinc/97/65/70/562976570.db2.gz SWYDKUCXXVXSCV-UHFFFAOYSA-N 0 0 437.452 2.744 50 0 IFAARN COc1cccc(NC(=O)CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)c1 ZINC000009761347 562976577 /nfs/dbraw/zinc/97/65/77/562976577.db2.gz QKLMRHFZRDLKGF-UHFFFAOYSA-N 0 0 425.466 2.743 50 0 IFAARN CCN(C(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1 ZINC000009962337 562978066 /nfs/dbraw/zinc/97/80/66/562978066.db2.gz KUUIGIKDESMTJO-MRXNPFEDSA-N 0 0 435.571 2.636 50 0 IFAARN COc1ccccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2F)n1C ZINC000010076569 562978411 /nfs/dbraw/zinc/97/84/11/562978411.db2.gz PZKALIHGZJWXDB-UHFFFAOYSA-N 0 0 429.477 2.875 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c4ccccc4oc3C(N)=O)CC2)cc1 ZINC000010337600 562978602 /nfs/dbraw/zinc/97/86/02/562978602.db2.gz JSAOEXQLOCOYCU-UHFFFAOYSA-N 0 0 441.509 2.880 50 0 IFAARN CCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CCCCC3)c(=O)[nH]c1=O ZINC000013017887 562984145 /nfs/dbraw/zinc/98/41/45/562984145.db2.gz HMIRFLULBCCKMK-UHFFFAOYSA-N 0 0 434.562 2.543 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)cc1 ZINC000013118727 562984660 /nfs/dbraw/zinc/98/46/60/562984660.db2.gz NCEMDWYGLLMKSZ-UHFFFAOYSA-N 0 0 432.527 2.822 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)c(F)c3)cc2C[C@H]1C ZINC000015936379 563018805 /nfs/dbraw/zinc/01/88/05/563018805.db2.gz GNIPDYRPWNKEHX-CQSZACIVSA-N 0 0 433.505 2.739 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1 ZINC000015942436 563019694 /nfs/dbraw/zinc/01/96/94/563019694.db2.gz NCKIPAVSALWGOV-UHFFFAOYSA-N 0 0 429.542 2.588 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000015944027 563020164 /nfs/dbraw/zinc/02/01/64/563020164.db2.gz WABCFPHNRUMHMT-AWEZNQCLSA-N 0 0 448.526 2.500 50 0 IFAARN CCCCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000015973616 563020609 /nfs/dbraw/zinc/02/06/09/563020609.db2.gz PEVFHJFBOAEPEL-UHFFFAOYSA-N 0 0 449.617 2.551 50 0 IFAARN CSc1ccccc1OCc1cc(C(=O)N2CCN(Cc3nccn3C)CC2)no1 ZINC000019608964 563022842 /nfs/dbraw/zinc/02/28/42/563022842.db2.gz UIEPYLGHVHAVQS-UHFFFAOYSA-N 0 0 427.530 2.667 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019928574 563023243 /nfs/dbraw/zinc/02/32/43/563023243.db2.gz ZUFLUBZDQUPBCZ-UHFFFAOYSA-N 0 0 445.541 2.637 50 0 IFAARN CCN1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@H]23)CC1 ZINC000020208905 563024023 /nfs/dbraw/zinc/02/40/23/563024023.db2.gz XCRDAZGCMFSDHJ-BJKOFHAPSA-N 0 0 449.551 2.705 50 0 IFAARN CCOCCCNC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000036067076 563090841 /nfs/dbraw/zinc/09/08/41/563090841.db2.gz GCDKIPRJYISBES-FQEVSTJZSA-N 0 0 433.936 2.975 50 0 IFAARN Cc1ccccc1-n1cc(CNC(=O)C[C@H]2C(=O)NCCN2C/C=C/c2ccccc2)cn1 ZINC000055060991 563142358 /nfs/dbraw/zinc/14/23/58/563142358.db2.gz DNMUSEQROJDQDA-IWXKUNQBSA-N 0 0 443.551 2.701 50 0 IFAARN O=C(NCc1cccs1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945226 563142771 /nfs/dbraw/zinc/14/27/71/563142771.db2.gz SHOVMWWMRJAPPZ-FQEVSTJZSA-N 0 0 438.553 2.637 50 0 IFAARN CCCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000057015981 563143214 /nfs/dbraw/zinc/14/32/14/563143214.db2.gz CXQCGFPKMNQWJW-UHFFFAOYSA-N 0 0 444.967 2.589 50 0 IFAARN COc1cc2nc(C)n(CCNC(=O)c3ccccc3Br)c(=O)c2cc1OC ZINC000095480377 563180594 /nfs/dbraw/zinc/18/05/94/563180594.db2.gz RETAUDOPAVLXKD-UHFFFAOYSA-N 0 0 446.301 2.915 50 0 IFAARN COc1ccc(-c2csc(C3=C(N)N([C@@H]4CCS(=O)(=O)C4)CC3=O)n2)cc1OC ZINC000102732416 568621518 /nfs/dbraw/zinc/62/15/18/568621518.db2.gz HADVVCMRMJTYDT-GFCCVEGCSA-N 0 0 435.527 2.576 50 0 IFAARN CCCOc1ccc(CNc2nc3nc(=O)n(-c4ccc5c(c4)OCO5)c(=O)c-3c[nH]2)cc1 ZINC000102911738 568621849 /nfs/dbraw/zinc/62/18/49/568621849.db2.gz GTWBNPWDOJRNOG-UHFFFAOYSA-N 0 0 447.451 2.599 50 0 IFAARN O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N[C@H](c1cccs1)c1ccccc1 ZINC000018970213 568629876 /nfs/dbraw/zinc/62/98/76/568629876.db2.gz DFTYCDGIVFLCED-FQEVSTJZSA-N 0 0 433.489 2.945 50 0 IFAARN COc1ccc(OC)c([C@H](C)NC(=O)COC(=O)c2sc3[nH]c(C)nc(=O)c3c2C)c1 ZINC000019010090 568631877 /nfs/dbraw/zinc/63/18/77/568631877.db2.gz RXPVEAARFRUUNJ-NSHDSACASA-N 0 0 445.497 2.653 50 0 IFAARN NS(=O)(=O)c1ccc(C(=O)OCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000019037994 568634603 /nfs/dbraw/zinc/63/46/03/568634603.db2.gz IVCBAQGNFODQGI-UHFFFAOYSA-N 0 0 438.259 2.504 50 0 IFAARN O=C(CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)NCCc1c[nH]c2ccccc12 ZINC000019068349 568634841 /nfs/dbraw/zinc/63/48/41/568634841.db2.gz QBMAPNCGZZKTRU-UHFFFAOYSA-N 0 0 448.523 2.586 50 0 IFAARN O=S(=O)(c1cccc2nsnc21)N1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000019077297 568637463 /nfs/dbraw/zinc/63/74/63/568637463.db2.gz GUTIACHWWKWQKV-UHFFFAOYSA-N 0 0 438.962 2.730 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000015083276 568638026 /nfs/dbraw/zinc/63/80/26/568638026.db2.gz KDHHXWBFXSLSJG-UHFFFAOYSA-N 0 0 440.905 2.630 50 0 IFAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc2nsnc21 ZINC000019078474 568638496 /nfs/dbraw/zinc/63/84/96/568638496.db2.gz CVIVZHXPOYNPNI-INIZCTEOSA-N 0 0 444.538 2.725 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3c(-c4ccccc4)cnc4ncnn43)CC2)c1 ZINC000025148587 568642078 /nfs/dbraw/zinc/64/20/78/568642078.db2.gz RUXZMYSYPKAOCL-UHFFFAOYSA-N 0 0 448.552 2.919 50 0 IFAARN CC(=O)O[C@H]1CC[C@]23[C@H](O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@@]1(C)CC[C@@H]34 ZINC000254415695 568644548 /nfs/dbraw/zinc/64/45/48/568644548.db2.gz XLUGVKZDVVAUBL-NDJGQYKFSA-N 0 0 446.540 2.626 50 0 IFAARN CC(=O)O[C@H]1CC[C@]23[C@@H](O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@@]1(C)CC[C@@H]34 ZINC000254415696 568644599 /nfs/dbraw/zinc/64/45/99/568644599.db2.gz XLUGVKZDVVAUBL-RBTOQMDQSA-N 0 0 446.540 2.626 50 0 IFAARN CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(Cn4ccnc4)c3)cc(C(C)C)nc21 ZINC000025182368 568646822 /nfs/dbraw/zinc/64/68/22/568646822.db2.gz VZHQNIXXQGCHPY-UHFFFAOYSA-N 0 0 432.484 2.725 50 0 IFAARN COc1cc(C(=O)OCC(=O)NCc2ccccc2)c(Br)c(OC)c1OC ZINC000000954983 568647180 /nfs/dbraw/zinc/64/71/80/568647180.db2.gz HNFLTJZSDMSNMV-UHFFFAOYSA-N 0 0 438.274 2.948 50 0 IFAARN COc1ccc(OCCNC(=O)C[C@@H](NC(N)=O)c2cccc(Br)c2)cc1 ZINC000025263361 568649849 /nfs/dbraw/zinc/64/98/49/568649849.db2.gz USMBRQSDWBOFMR-QGZVFWFLSA-N 0 0 436.306 2.752 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CSc1nc(=O)cc(N)n1CCc1ccccc1 ZINC000001076725 568656727 /nfs/dbraw/zinc/65/67/27/568656727.db2.gz CVXWRLFJNBLEAK-UHFFFAOYSA-N 0 0 438.509 2.586 50 0 IFAARN CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)N(NC(=O)c2ccc(Cl)cc2)C1=S ZINC000001075468 568656779 /nfs/dbraw/zinc/65/67/79/568656779.db2.gz JPJALPBFVUTKIX-OAHLLOKOSA-N 0 0 434.880 2.580 50 0 IFAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000025407376 568657692 /nfs/dbraw/zinc/65/76/92/568657692.db2.gz HQFJQXMCDAKBOI-KHYOSLBOSA-N 0 0 425.520 2.723 50 0 IFAARN COC(=O)c1ccc(OCC(=O)Nc2ccccc2S(C)(=O)=O)c(Br)c1 ZINC000025456811 568659119 /nfs/dbraw/zinc/65/91/19/568659119.db2.gz BSIFCUHUANOPPZ-UHFFFAOYSA-N 0 0 442.287 2.657 50 0 IFAARN CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(F)c1 ZINC000001103818 568660349 /nfs/dbraw/zinc/66/03/49/568660349.db2.gz JTVWPSITUIWZOJ-QGZVFWFLSA-N 0 0 435.455 2.755 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000025523910 568662309 /nfs/dbraw/zinc/66/23/09/568662309.db2.gz ACKSHILIWIDDRQ-UHFFFAOYSA-N 0 0 438.449 2.945 50 0 IFAARN CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@@]4(C)[C@@H]3C(=O)C[C@@]21C)OCCO5 ZINC000257359277 568731602 /nfs/dbraw/zinc/73/16/02/568731602.db2.gz ZIQSUIGZEYCTRR-VNDTUPJBSA-N 0 0 446.540 2.735 50 0 IFAARN CCCn1c(SCC(=O)NCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O ZINC000015226205 568734125 /nfs/dbraw/zinc/73/41/25/568734125.db2.gz FPLJNCKYCSWWGQ-UHFFFAOYSA-N 0 0 428.489 2.793 50 0 IFAARN CCOC(=O)CS(=O)(=O)c1nc(-c2ncc(C(F)(F)F)cc2Cl)nc(C)c1F ZINC000261494970 568735130 /nfs/dbraw/zinc/73/51/30/568735130.db2.gz YRKOGPHECVZKJD-UHFFFAOYSA-N 0 0 441.790 2.995 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21 ZINC000015243060 568737409 /nfs/dbraw/zinc/73/74/09/568737409.db2.gz RDPAEFDLCANWHH-UHFFFAOYSA-N 0 0 440.525 2.584 50 0 IFAARN CNC(=O)c1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)c1 ZINC000031613874 568741140 /nfs/dbraw/zinc/74/11/40/568741140.db2.gz IEPYNLAORQBDAY-UHFFFAOYSA-N 0 0 445.504 2.871 50 0 IFAARN COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)s2)c(OC)c1 ZINC000003219126 568743126 /nfs/dbraw/zinc/74/31/26/568743126.db2.gz ZVDDPZWFWYVTEP-UHFFFAOYSA-N 0 0 448.526 2.725 50 0 IFAARN CSc1ncccc1C(=O)N1CCC(CNC(=O)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000043942741 568743675 /nfs/dbraw/zinc/74/36/75/568743675.db2.gz NUAFOUMNTYLNEQ-UHFFFAOYSA-N 0 0 448.495 2.689 50 0 IFAARN COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 ZINC000043944087 568743857 /nfs/dbraw/zinc/74/38/57/568743857.db2.gz QGBOYLJSBKHWPQ-UHFFFAOYSA-N 0 0 427.476 2.750 50 0 IFAARN O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000043941761 568743917 /nfs/dbraw/zinc/74/39/17/568743917.db2.gz LMSCWBMUMVBKRW-UHFFFAOYSA-N 0 0 447.894 2.851 50 0 IFAARN CSc1ncccc1C(=O)N1CCC(CNS(=O)(=O)CCc2ccccc2)CC1 ZINC000043960126 568744510 /nfs/dbraw/zinc/74/45/10/568744510.db2.gz SQBDOELUYOVWNJ-UHFFFAOYSA-N 0 0 433.599 2.818 50 0 IFAARN CSc1ncccc1C(=O)N1CCC(CNC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000044001479 568745549 /nfs/dbraw/zinc/74/55/49/568745549.db2.gz GCTRJVXIVCEYFV-IBGZPJMESA-N 0 0 427.526 2.612 50 0 IFAARN COc1ccc2oc(C(=O)O[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)c2c1 ZINC000003301351 568745638 /nfs/dbraw/zinc/74/56/38/568745638.db2.gz WPNPDIJYUIMXJE-HNNXBMFYSA-N 0 0 440.452 2.873 50 0 IFAARN Cc1nn(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c(C)c1Br ZINC000002759818 568789187 /nfs/dbraw/zinc/78/91/87/568789187.db2.gz JJGARCLUDOKZEM-UHFFFAOYSA-N 0 0 427.107 2.905 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000003413964 568748688 /nfs/dbraw/zinc/74/86/88/568748688.db2.gz LCKFXTDUBZNBHU-UHFFFAOYSA-N 0 0 428.432 2.861 50 0 IFAARN C[C@H](COc1ccccc1)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003406887 568748737 /nfs/dbraw/zinc/74/87/37/568748737.db2.gz YEBUJAGQAMYNNB-OAHLLOKOSA-N 0 0 439.917 2.985 50 0 IFAARN CCc1ccc(-c2noc(Cn3cnc4c(nnn4-c4ccc(OC)cc4)c3=O)n2)cc1 ZINC000044166606 568749257 /nfs/dbraw/zinc/74/92/57/568749257.db2.gz NEDDDDSVVSAXHC-UHFFFAOYSA-N 0 0 429.440 2.647 50 0 IFAARN O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000003481242 568750037 /nfs/dbraw/zinc/75/00/37/568750037.db2.gz YFEWVLPOBNUSKF-KRWDZBQOSA-N 0 0 440.880 2.814 50 0 IFAARN O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)NCc1ccc2c(c1)OCO2 ZINC000044227626 568750195 /nfs/dbraw/zinc/75/01/95/568750195.db2.gz OKRXIQCJOUBSQR-UHFFFAOYSA-N 0 0 437.481 2.868 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000003523962 568750540 /nfs/dbraw/zinc/75/05/40/568750540.db2.gz DEQTUNLPWMIYGB-UHFFFAOYSA-N 0 0 432.505 2.936 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3coc4cc(OC)ccc34)CC2)cc1 ZINC000003554215 568750622 /nfs/dbraw/zinc/75/06/22/568750622.db2.gz MNMFEOJKFNJEJC-UHFFFAOYSA-N 0 0 444.509 2.526 50 0 IFAARN CCc1ccc(-c2nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n[nH]2)cc1 ZINC000003551270 568750693 /nfs/dbraw/zinc/75/06/93/568750693.db2.gz KCYCUGMMSJUNAP-UHFFFAOYSA-N 0 0 425.514 2.704 50 0 IFAARN COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)[O-])CC1 ZINC000299761555 568755961 /nfs/dbraw/zinc/75/59/61/568755961.db2.gz KGPFEVVNUHEKTJ-RBBKRZOGSA-N 0 0 438.572 2.968 50 0 IFAARN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2sc3ncnc(NCCOC)c3c2C)C1 ZINC000299776688 568757069 /nfs/dbraw/zinc/75/70/69/568757069.db2.gz KLIJFPZTAJAOJF-OAHLLOKOSA-N 0 0 433.578 2.779 50 0 IFAARN O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCCc1cccs1)C2)c1ccncc1 ZINC000299783369 568757285 /nfs/dbraw/zinc/75/72/85/568757285.db2.gz YMRGOHRFCNQKMH-CYBMUJFWSA-N 0 0 426.523 2.956 50 0 IFAARN O=C(CC[C@]1(Cc2ccccc2)CCC(=O)N1)N1CCN(C(=O)c2cccs2)CC1 ZINC000299783456 568757290 /nfs/dbraw/zinc/75/72/90/568757290.db2.gz YNSAQEFJASHFHO-QHCPKHFHSA-N 0 0 425.554 2.704 50 0 IFAARN COC(=O)c1cccc(CN2CCN(C(=O)c3cn4cc(Cl)ccc4n3)CCC2=O)c1 ZINC000299788153 568757669 /nfs/dbraw/zinc/75/76/69/568757669.db2.gz XEHBERVKMQISDU-UHFFFAOYSA-N 0 0 440.887 2.649 50 0 IFAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(C)o2)CC(=O)N(CCc2ccccc2)C1 ZINC000299795055 568758008 /nfs/dbraw/zinc/75/80/08/568758008.db2.gz LQBPRXSNPGSANU-QHCPKHFHSA-N 0 0 441.572 2.729 50 0 IFAARN O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000004134272 568758523 /nfs/dbraw/zinc/75/85/23/568758523.db2.gz FLLSHKJEILEWQZ-WMZOPIPTSA-N 0 0 440.525 2.817 50 0 IFAARN COc1ccc([C@H]2CC(=O)Oc3c4c5c(c(=O)oc4cc(C)c32)CCC5)cc1OCC(N)=O ZINC000263585573 568758861 /nfs/dbraw/zinc/75/88/61/568758861.db2.gz KFOJFWIKIXUUHJ-MRXNPFEDSA-N 0 0 449.459 2.904 50 0 IFAARN COC(=O)c1cn(CCCc2nc(-c3c(F)cccc3Cl)no2)cc2c(=O)[nH]nc1-2 ZINC000263588856 568761235 /nfs/dbraw/zinc/76/12/35/568761235.db2.gz ZGGIWBQHCROWSZ-UHFFFAOYSA-N 0 0 431.811 2.938 50 0 IFAARN O=C(CCc1ccccc1)N1CCN(Cc2nnn3c2CO[C@H](c2ccccc2F)C3)CC1 ZINC000263616233 568776468 /nfs/dbraw/zinc/77/64/68/568776468.db2.gz HRZSIXUEUJSEDY-DEOSSOPVSA-N 0 0 449.530 2.966 50 0 IFAARN Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC(F)F)CC4)c3CO2)cc1 ZINC000263617884 568777410 /nfs/dbraw/zinc/77/74/10/568777410.db2.gz QFBNQRGIDLWYPG-GOSISDBHSA-N 0 0 432.471 2.697 50 0 IFAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5C)CC4)c3CO2)cc1 ZINC000263618032 568777460 /nfs/dbraw/zinc/77/74/60/568777460.db2.gz QYEHMZHVSXLLOU-QFIPXVFZSA-N 0 0 433.512 2.829 50 0 IFAARN O=C(NC1CCCC1)NC1CCN(Cc2nnn3c2CO[C@H](c2cccc(F)c2)C3)CC1 ZINC000263619165 568777889 /nfs/dbraw/zinc/77/78/89/568777889.db2.gz XGZCPLLHFPWKRB-QFIPXVFZSA-N 0 0 442.539 2.895 50 0 IFAARN Cc1c(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c(=O)n(-c2ccccc2)n1C ZINC000001290466 568778384 /nfs/dbraw/zinc/77/83/84/568778384.db2.gz XPUMGPAQAFGBAI-UHFFFAOYSA-N 0 0 449.536 2.773 50 0 IFAARN O=C(Nc1cccnc1)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000032104381 568781094 /nfs/dbraw/zinc/78/10/94/568781094.db2.gz YCTZEKFNDIUCCK-DENIHFKCSA-N 0 0 428.492 2.801 50 0 IFAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019171525 568782325 /nfs/dbraw/zinc/78/23/25/568782325.db2.gz PZSBHXCUDDXJAN-OTWHNJEPSA-N 0 0 442.313 2.993 50 0 IFAARN CCc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)[nH]c(C)c1C(C)=O ZINC000083817334 568782560 /nfs/dbraw/zinc/78/25/60/568782560.db2.gz RSEHJHAXRJAMML-UHFFFAOYSA-N 0 0 437.493 2.500 50 0 in-vitro IFAARN CN(C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000083855557 568783438 /nfs/dbraw/zinc/78/34/38/568783438.db2.gz JLCGXPJZLGJICT-IAGOWNOFSA-N 0 0 449.495 2.971 50 0 IFAARN CN(C(=O)CS(=O)(=O)Cc1cc2c(cc1Br)OCCO2)c1ccccc1 ZINC000083869569 568784041 /nfs/dbraw/zinc/78/40/41/568784041.db2.gz KRQMBAZWHHQLKD-UHFFFAOYSA-N 0 0 440.315 2.798 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cc2cc(Cl)ccc2[nH]1 ZINC000025837523 568784736 /nfs/dbraw/zinc/78/47/36/568784736.db2.gz KBRXBMRKLPRSBP-UHFFFAOYSA-N 0 0 439.946 2.834 50 0 IFAARN CC[C@@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2c1O ZINC000004654583 568785375 /nfs/dbraw/zinc/78/53/75/568785375.db2.gz POOQWQMLHGFVEC-OAHLLOKOSA-N 0 0 439.537 2.803 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(Br)n1 ZINC000083937344 568786047 /nfs/dbraw/zinc/78/60/47/568786047.db2.gz AKUKEYMBGCQGMK-UHFFFAOYSA-N 0 0 426.292 2.780 50 0 IFAARN Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001857947 568788494 /nfs/dbraw/zinc/78/84/94/568788494.db2.gz KLJRVPJNVLHLKY-UHFFFAOYSA-N 0 0 444.487 2.934 50 0 IFAARN Cc1oc(C)c(C(=O)O[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)c1Br ZINC000084008225 568789706 /nfs/dbraw/zinc/78/97/06/568789706.db2.gz FCRJTNWWCKGJAU-SWLSCSKDSA-N 0 0 429.311 2.564 50 0 IFAARN O=C(Cc1noc2ccccc12)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000019198159 568791879 /nfs/dbraw/zinc/79/18/79/568791879.db2.gz LJUDDALIXYPYKQ-UHFFFAOYSA-N 0 0 435.889 2.683 50 0 IFAARN Cn1c2nc(NCCc3ccccc3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000001429490 568794453 /nfs/dbraw/zinc/79/44/53/568794453.db2.gz RYXXXKNMBJHVDC-UHFFFAOYSA-N 0 0 441.894 2.929 50 0 IFAARN Cc1ccc(-n2cc(C(=O)N3CCN(C[C@@H]4COCCO4)CC3)c(C(C)(C)C)n2)cc1 ZINC000084177490 568795661 /nfs/dbraw/zinc/79/56/61/568795661.db2.gz QFBHKLIQZPJCHD-HXUWFJFHSA-N 0 0 426.561 2.651 50 0 IFAARN Cc1nc(-c2ccc(S(=O)(=O)N3CCc4cc(S(N)(=O)=O)ccc43)s2)cs1 ZINC000084275099 568796824 /nfs/dbraw/zinc/79/68/24/568796824.db2.gz OWLJWLSLDBUYAV-UHFFFAOYSA-N 0 0 441.581 2.579 50 0 IFAARN Cn1ccnc1C[C@@H](NC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1 ZINC000084331588 568797147 /nfs/dbraw/zinc/79/71/47/568797147.db2.gz IBPYUSMTJVRHOF-NHCUHLMSSA-N 0 0 434.496 2.627 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccccc1C(=O)NCc1ccco1 ZINC000084500183 568798208 /nfs/dbraw/zinc/79/82/08/568798208.db2.gz XRYBDDNVLFOQFV-BJLQDIEVSA-N 0 0 442.541 2.874 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN(Cc2cccc(F)c2)C2CC2)C1=O ZINC000084668175 568799657 /nfs/dbraw/zinc/79/96/57/568799657.db2.gz RQTFXKSOOGBHBC-XMMPIXPASA-N 0 0 438.503 2.765 50 0 IFAARN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000084692178 568799987 /nfs/dbraw/zinc/79/99/87/568799987.db2.gz IDRLNYZFMULJKG-CYBMUJFWSA-N 0 0 432.874 2.913 50 0 IFAARN CCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000084739841 568800953 /nfs/dbraw/zinc/80/09/53/568800953.db2.gz KUVCNOLCHLDCHP-LSDHHAIUSA-N 0 0 436.350 2.709 50 0 IFAARN CCCc1ccc([C@H](C)N(CC(N)=O)CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 ZINC000084758992 568801101 /nfs/dbraw/zinc/80/11/01/568801101.db2.gz JKBGAEPSDGGEKZ-HNNXBMFYSA-N 0 0 449.548 2.669 50 0 IFAARN CCOc1cc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc(OCC)c1OCC ZINC000084804973 568801511 /nfs/dbraw/zinc/80/15/11/568801511.db2.gz BGGVDQLEJNOFDZ-UHFFFAOYSA-N 0 0 427.501 2.876 50 0 IFAARN CCOC(=O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)C(C)C ZINC000084791156 568801539 /nfs/dbraw/zinc/80/15/39/568801539.db2.gz NAUGNYXZTXRXNG-IBGZPJMESA-N 0 0 438.590 2.716 50 0 IFAARN Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000015678500 568805155 /nfs/dbraw/zinc/80/51/55/568805155.db2.gz ULVQYTFZFYMFCQ-UHFFFAOYSA-N 0 0 443.525 2.534 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)c1 ZINC000015730128 568813865 /nfs/dbraw/zinc/81/38/65/568813865.db2.gz COFJMCLKBIHWSY-DNVCBOLYSA-N 0 0 443.525 2.815 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)CC1 ZINC000015730678 568814214 /nfs/dbraw/zinc/81/42/14/568814214.db2.gz XXOQTSNRJNFUPN-HNNXBMFYSA-N 0 0 447.582 2.886 50 0 IFAARN COc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000015732573 568815249 /nfs/dbraw/zinc/81/52/49/568815249.db2.gz ALEAKBVRGOLVQT-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN CCNC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 ZINC000001466144 568820418 /nfs/dbraw/zinc/82/04/18/568820418.db2.gz KCIVYTMGRDNTQF-GFCCVEGCSA-N 0 0 425.510 3.000 50 0 IFAARN CCNC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 ZINC000001466145 568820436 /nfs/dbraw/zinc/82/04/36/568820436.db2.gz KCIVYTMGRDNTQF-LBPRGKRZSA-N 0 0 425.510 3.000 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000015767945 568821929 /nfs/dbraw/zinc/82/19/29/568821929.db2.gz BQVLBFKMJNJDSX-UHFFFAOYSA-N 0 0 426.498 2.672 50 0 IFAARN Cc1cccc(NC(=O)CCc2nnc3ccc(NCc4ccc5c(c4)OCO5)nn32)n1 ZINC000015776649 568823964 /nfs/dbraw/zinc/82/39/64/568823964.db2.gz IKLCUJDAHBWNGJ-UHFFFAOYSA-N 0 0 431.456 2.740 50 0 IFAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000015783793 568826609 /nfs/dbraw/zinc/82/66/09/568826609.db2.gz IPIGTJCMQZFPPH-UHFFFAOYSA-N 0 0 426.473 2.654 50 0 IFAARN CC(C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)CC1 ZINC000085641734 568828870 /nfs/dbraw/zinc/82/88/70/568828870.db2.gz QDOWCKSHZIDZJO-UHFFFAOYSA-N 0 0 441.619 2.690 50 0 IFAARN COc1ccc(C2(c3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)no3)CC2)cc1 ZINC000085642289 568828874 /nfs/dbraw/zinc/82/88/74/568828874.db2.gz ZVSZHSWZMWRJCM-UHFFFAOYSA-N 0 0 441.509 2.846 50 0 IFAARN Cc1cccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)NC[C@@H]4CCCO4)nc23)c1C ZINC000085644535 568829418 /nfs/dbraw/zinc/82/94/18/568829418.db2.gz XYEDVZNNHUGRFC-KRWDZBQOSA-N 0 0 447.495 2.749 50 0 IFAARN COc1ccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000085644747 568829675 /nfs/dbraw/zinc/82/96/75/568829675.db2.gz CUPHXKRVGXCSAN-UHFFFAOYSA-N 0 0 443.529 2.643 50 0 IFAARN Cc1ccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000085645061 568830013 /nfs/dbraw/zinc/83/00/13/568830013.db2.gz COYCHZQCYXKMIE-UHFFFAOYSA-N 0 0 427.530 2.943 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)NCc1ccc(C)cc1 ZINC000085648533 568830574 /nfs/dbraw/zinc/83/05/74/568830574.db2.gz VWLMPPTYHNJUND-UHFFFAOYSA-N 0 0 443.573 2.867 50 0 IFAARN Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)c1 ZINC000085650902 568830884 /nfs/dbraw/zinc/83/08/84/568830884.db2.gz APUBUKZFKQBQFE-UHFFFAOYSA-N 0 0 446.573 2.907 50 0 IFAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2nc3ccccc3o2)CC1 ZINC000085649946 568831278 /nfs/dbraw/zinc/83/12/78/568831278.db2.gz VAKOQEROLMKMNV-UHFFFAOYSA-N 0 0 428.514 2.601 50 0 IFAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2nc3ccc(C)cc3o2)CC1 ZINC000085650068 568831281 /nfs/dbraw/zinc/83/12/81/568831281.db2.gz HMGCAUVJABEPEQ-UHFFFAOYSA-N 0 0 442.541 2.910 50 0 IFAARN Cc1cc(F)ccc1NC(=O)Cn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000085651932 568831615 /nfs/dbraw/zinc/83/16/15/568831615.db2.gz WGUBMUZQHYNJJQ-UHFFFAOYSA-N 0 0 449.529 2.934 50 0 IFAARN COc1ccc(CCC(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1 ZINC000085653948 568832631 /nfs/dbraw/zinc/83/26/31/568832631.db2.gz FAPGMHLDOWCPLA-UHFFFAOYSA-N 0 0 432.524 2.913 50 0 IFAARN O=C(CSCc1ccc(F)cc1)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000085654638 568832970 /nfs/dbraw/zinc/83/29/70/568832970.db2.gz GZOJWEFSTKEOSQ-UHFFFAOYSA-N 0 0 438.528 2.954 50 0 IFAARN Cc1ccc(-n2nc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)ccc2=O)cc1C ZINC000085654252 568833463 /nfs/dbraw/zinc/83/34/63/568833463.db2.gz DKDVYDSRTSEJEB-UHFFFAOYSA-N 0 0 438.553 2.501 50 0 IFAARN O=c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nn1-c1ccc(Cl)cc1 ZINC000085654370 568833534 /nfs/dbraw/zinc/83/35/34/568833534.db2.gz LJTYDQPTVPXXFH-UHFFFAOYSA-N 0 0 444.944 2.538 50 0 IFAARN COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 ZINC000086131590 568839878 /nfs/dbraw/zinc/83/98/78/568839878.db2.gz USQZDYOWAJTBII-UHFFFAOYSA-N 0 0 445.585 2.874 50 0 IFAARN Cc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccc(F)cc4F)c(=O)n3c2)cc1 ZINC000015829593 568841429 /nfs/dbraw/zinc/84/14/29/568841429.db2.gz PWBUPZITVADKSC-UHFFFAOYSA-N 0 0 437.406 2.974 50 0 IFAARN COc1cccc(C(=O)Oc2ccc([C@H]3SC(NC(C)=O)=NN3C(C)=O)cc2OC)c1 ZINC000015832897 568842231 /nfs/dbraw/zinc/84/22/31/568842231.db2.gz HWICUYMQCIOTNC-LJQANCHMSA-N 0 0 443.481 2.924 50 0 IFAARN CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O ZINC000025693162 568842579 /nfs/dbraw/zinc/84/25/79/568842579.db2.gz GHEIPEXVLWLMRH-NHCUHLMSSA-N 0 0 436.512 2.632 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3sc(N)nc3C)n2C)cc1 ZINC000006147820 568846413 /nfs/dbraw/zinc/84/64/13/568846413.db2.gz QIIORIXIQCNIKR-UHFFFAOYSA-N 0 0 432.531 2.737 50 0 IFAARN CC(=O)C[C@@H]1N(Cc2ccccc2)C(=O)[C@@H]2N(c3ccc(C)c(C)c3)C(=O)[C@@H]3CC(=O)O[C@@]321 ZINC000015861190 568848016 /nfs/dbraw/zinc/84/80/16/568848016.db2.gz YXJDWIYXSUAMBD-IBVSPSLBSA-N 0 0 446.503 2.711 50 0 IFAARN COc1ccc(-c2cc(C(=O)NCc3ccccc3)[nH]n2)cc1S(=O)(=O)N1CCCC1 ZINC000015860808 568848061 /nfs/dbraw/zinc/84/80/61/568848061.db2.gz BINMQHMAYRYQTA-UHFFFAOYSA-N 0 0 440.525 2.800 50 0 IFAARN Cc1ccc(-n2nc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)ccc2=O)cc1 ZINC000015864411 568849924 /nfs/dbraw/zinc/84/99/24/568849924.db2.gz AQACIYDOOGLMNR-UHFFFAOYSA-N 0 0 442.475 2.610 50 0 IFAARN O=C(CSc1nnc2ccc(-c3cccnc3)nn21)N1CCN(c2ccccc2)CC1 ZINC000015881737 568856075 /nfs/dbraw/zinc/85/60/75/568856075.db2.gz OUEZROICKLNEOV-UHFFFAOYSA-N 0 0 431.525 2.627 50 0 IFAARN CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1 ZINC000015882314 568856256 /nfs/dbraw/zinc/85/62/56/568856256.db2.gz ZKAQNSUPFKICDH-UHFFFAOYSA-N 0 0 445.589 2.767 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)C1 ZINC000015883326 568857596 /nfs/dbraw/zinc/85/75/96/568857596.db2.gz UFTPMLRAEUMXBZ-SFHVURJKSA-N 0 0 437.471 2.999 50 0 IFAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000015883415 568857615 /nfs/dbraw/zinc/85/76/15/568857615.db2.gz AJYFXZJZFPMADN-UHFFFAOYSA-N 0 0 432.933 2.887 50 0 IFAARN O=C(Cc1cccs1)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 ZINC000015884026 568857889 /nfs/dbraw/zinc/85/78/89/568857889.db2.gz ZKQKQTQHKASYNC-UHFFFAOYSA-N 0 0 439.932 2.817 50 0 IFAARN O=C(c1cccs1)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 ZINC000015884029 568857907 /nfs/dbraw/zinc/85/79/07/568857907.db2.gz KPOIUJKFSCDJGE-UHFFFAOYSA-N 0 0 425.905 2.888 50 0 IFAARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC)cc3OC)[C@H]4C2=O)cc1 ZINC000015894268 568858241 /nfs/dbraw/zinc/85/82/41/568858241.db2.gz UHQGAHOMMGNWMW-ZGDJDIHISA-N 0 0 436.464 2.638 50 0 IFAARN CC(C)(C)SCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000015927950 568858899 /nfs/dbraw/zinc/85/88/99/568858899.db2.gz SRSMBLYPSDDJFI-UHFFFAOYSA-N 0 0 435.409 2.814 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)cc2C[C@H]1C ZINC000015943463 568859450 /nfs/dbraw/zinc/85/94/50/568859450.db2.gz PGYWGLPZWJOHHM-SJLPKXTDSA-N 0 0 447.601 2.834 50 0 IFAARN CN1c2ccccc2N(C2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)S1(=O)=O ZINC000575414184 568860977 /nfs/dbraw/zinc/86/09/77/568860977.db2.gz KGXFALZVNOWUEQ-UHFFFAOYSA-N 0 0 436.484 2.569 50 0 IFAARN CN1c2ccccc2N(C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)S1(=O)=O ZINC000575414185 568861113 /nfs/dbraw/zinc/86/11/13/568861113.db2.gz KMHHEEMDLDJWEA-DTQAZKPQSA-N 0 0 433.555 2.653 50 0 IFAARN O=S(=O)(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ccccc1C(F)(F)F ZINC000575414567 568862307 /nfs/dbraw/zinc/86/23/07/568862307.db2.gz KYFLCWHUZSVJSU-SECBINFHSA-N 0 0 428.358 2.900 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c1 ZINC000012935843 568864713 /nfs/dbraw/zinc/86/47/13/568864713.db2.gz RBIBBBUPFBYOGC-UHFFFAOYSA-N 0 0 430.505 2.999 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC000012938324 568867705 /nfs/dbraw/zinc/86/77/05/568867705.db2.gz KFBNVGBKKCGZOQ-INIZCTEOSA-N 0 0 429.542 2.550 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC000012938314 568867710 /nfs/dbraw/zinc/86/77/10/568867710.db2.gz KFBNVGBKKCGZOQ-MRXNPFEDSA-N 0 0 429.542 2.550 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)c(OC)c1 ZINC000016047556 568869087 /nfs/dbraw/zinc/86/90/87/568869087.db2.gz CFKMTQNGAKSQPJ-UHFFFAOYSA-N 0 0 433.468 2.855 50 0 IFAARN O=C(CCC(=O)OCC(=O)NC(=O)NCc1ccccc1)CCC(=O)c1cccs1 ZINC000012940756 568869798 /nfs/dbraw/zinc/86/97/98/568869798.db2.gz UGLJKHAJJFOZCX-UHFFFAOYSA-N 0 0 430.482 2.630 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)COC(=O)c2sc3[nH]c(C)nc(=O)c3c2C)cc1 ZINC000016097402 568870370 /nfs/dbraw/zinc/87/03/70/568870370.db2.gz PEJLPTHCOPDHAS-UHFFFAOYSA-N 0 0 429.454 2.574 50 0 IFAARN COc1ccc(N(C[C@@H](O)Cn2nnc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000006184236 568870760 /nfs/dbraw/zinc/87/07/60/568870760.db2.gz UOYZEWXMTAQPCE-SFHVURJKSA-N 0 0 438.509 2.696 50 0 IFAARN Cc1c(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cnn1-c1ccccc1F ZINC000012946303 568871161 /nfs/dbraw/zinc/87/11/61/568871161.db2.gz SAIKXSJFBSLAKM-UHFFFAOYSA-N 0 0 442.516 2.903 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccn2C)cc1 ZINC000012946517 568871250 /nfs/dbraw/zinc/87/12/50/568871250.db2.gz LZGNDSKQOQEEHX-LJQANCHMSA-N 0 0 425.576 2.581 50 0 IFAARN CCOCCCn1c(C)cn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C ZINC000006195379 568876855 /nfs/dbraw/zinc/87/68/55/568876855.db2.gz FGJPAUIDPRKKLE-UHFFFAOYSA-N 0 0 429.908 2.586 50 0 IFAARN O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575608176 568878435 /nfs/dbraw/zinc/87/84/35/568878435.db2.gz WXWFQHGWBRDMEI-INIZCTEOSA-N 0 0 436.299 2.705 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@H](Oc2ccncc2)C1 ZINC000575611641 568879288 /nfs/dbraw/zinc/87/92/88/568879288.db2.gz FHAINLLEIJLUAI-FQEVSTJZSA-N 0 0 429.542 2.940 50 0 IFAARN Cc1cc(C)n([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccsc2)n1 ZINC000575612625 568879447 /nfs/dbraw/zinc/87/94/47/568879447.db2.gz BLRWDBYDMZAIQG-QGZVFWFLSA-N 0 0 426.498 2.677 50 0 IFAARN CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O ZINC000575613045 568879653 /nfs/dbraw/zinc/87/96/53/568879653.db2.gz PGSYEKKGDNRPOW-UHFFFAOYSA-N 0 0 441.912 2.954 50 0 IFAARN O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000575613806 568879789 /nfs/dbraw/zinc/87/97/89/568879789.db2.gz UTDUTSBVUPRTHM-QGZVFWFLSA-N 0 0 433.871 2.581 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)NCc1cccs1 ZINC000035344015 568880530 /nfs/dbraw/zinc/88/05/30/568880530.db2.gz BTGIMBPPTFYMMO-UHFFFAOYSA-N 0 0 448.397 2.678 50 0 IFAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 ZINC000575616041 568881488 /nfs/dbraw/zinc/88/14/88/568881488.db2.gz OEYWDDDWXRWXEJ-UHFFFAOYSA-N 0 0 438.859 2.588 50 0 IFAARN CN(C)S(=O)(=O)N1CCC(CNC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000575615999 568881521 /nfs/dbraw/zinc/88/15/21/568881521.db2.gz NAQSSPPDMVTESF-UHFFFAOYSA-N 0 0 429.542 2.559 50 0 IFAARN Cc1nc(-c2ccc(S(=O)(=O)NCc3nnc4n3C[C@@H](C(F)(F)F)CC4)cc2)co1 ZINC000575616226 568881522 /nfs/dbraw/zinc/88/15/22/568881522.db2.gz IZMTWTUWSSYMDO-ZDUSSCGKSA-N 0 0 441.435 2.845 50 0 IFAARN O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000575618418 568882100 /nfs/dbraw/zinc/88/21/00/568882100.db2.gz VNKBIKLTTAYCJO-KSSFIOAISA-N 0 0 436.530 2.629 50 0 IFAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cc3ccccc3o2)N(C)C)c1 ZINC000575618735 568882133 /nfs/dbraw/zinc/88/21/33/568882133.db2.gz BYLKSJAYBYEZHI-INIZCTEOSA-N 0 0 432.498 2.809 50 0 IFAARN Cc1c(C)n2c(nc3c2c(=O)n(CCCc2ccccc2)c(=O)n3C)n1C[C@@H]1CCCO1 ZINC000006300129 568882665 /nfs/dbraw/zinc/88/26/65/568882665.db2.gz YSTZMMULHNSBIA-IBGZPJMESA-N 0 0 435.528 2.578 50 0 IFAARN COc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)cc1 ZINC000009568993 568883608 /nfs/dbraw/zinc/88/36/08/568883608.db2.gz OIPLCAQGLBKYQV-UHFFFAOYSA-N 0 0 439.472 2.903 50 0 IFAARN O=C(CSc1ccc2nnc(-c3cccs3)n2n1)NCc1ccc2c(c1)OCO2 ZINC000009599791 568884161 /nfs/dbraw/zinc/88/41/61/568884161.db2.gz STALRGBSPJELEM-UHFFFAOYSA-N 0 0 425.495 2.990 50 0 IFAARN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000229425371 568886460 /nfs/dbraw/zinc/88/64/60/568886460.db2.gz DOZZAWFIPAPCLJ-BWJFDKCMSA-N 0 0 435.409 2.779 50 0 IFAARN CCOc1ccc(CCNC(=O)CN2C(=O)N[C@@](C)(c3cccs3)C2=O)cc1OCC ZINC000089267955 568887498 /nfs/dbraw/zinc/88/74/98/568887498.db2.gz JIHVOAANVXZDPJ-QFIPXVFZSA-N 0 0 445.541 2.671 50 0 IFAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2)c1ccoc1 ZINC000090582829 568888206 /nfs/dbraw/zinc/88/82/06/568888206.db2.gz ZHWKQFHMKCLCJI-UHFFFAOYSA-N 0 0 447.494 2.507 50 0 IFAARN O=C(CN1CCc2nc(NC(=O)c3ccoc3)sc2C1)Nc1ccc2c(c1)OCCO2 ZINC000090582789 568888212 /nfs/dbraw/zinc/88/82/12/568888212.db2.gz PBKOJKPZWWFKOC-UHFFFAOYSA-N 0 0 440.481 2.756 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccoc4)sc3C2)cc1 ZINC000090582793 568888252 /nfs/dbraw/zinc/88/82/52/568888252.db2.gz UFLCWIFMUZSWAI-UHFFFAOYSA-N 0 0 440.481 2.772 50 0 IFAARN COc1ccc(F)cc1S(=O)(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 ZINC000090582832 568888294 /nfs/dbraw/zinc/88/82/94/568888294.db2.gz FEHIBRUZDTVJNK-UHFFFAOYSA-N 0 0 437.474 2.883 50 0 IFAARN COC(=O)c1sccc1S(=O)(=O)N1CC(Oc2nc3c(cccc3OC)s2)C1 ZINC000090594427 568889118 /nfs/dbraw/zinc/88/91/18/568889118.db2.gz POPHCNKBPQXHLH-UHFFFAOYSA-N 0 0 440.524 2.605 50 0 IFAARN COc1ccc(S(=O)(=O)CCC(=O)N2CC(Oc3nc4ccccc4s3)C2)cc1 ZINC000090594042 568889226 /nfs/dbraw/zinc/88/92/26/568889226.db2.gz RJXFCXMWZSEEAP-UHFFFAOYSA-N 0 0 432.523 2.759 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NCc3cc(-c4ccncc4)n(C)n3)n(C)n2)c1 ZINC000090607104 568889645 /nfs/dbraw/zinc/88/96/45/568889645.db2.gz HUXJYHGIQDHMEQ-UHFFFAOYSA-N 0 0 432.484 2.830 50 0 IFAARN COc1cccc(N2C[C@@H](C(=O)NCCc3csc(-n4nc(C)cc4C)n3)CC2=O)c1 ZINC000090609335 568891177 /nfs/dbraw/zinc/89/11/77/568891177.db2.gz CCSWUZNYPWUVHA-INIZCTEOSA-N 0 0 439.541 2.666 50 0 IFAARN CCSc1ccccc1C(=O)OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000012980065 568892000 /nfs/dbraw/zinc/89/20/00/568892000.db2.gz LRWZARTXWCQKCW-INIZCTEOSA-N 0 0 425.572 2.914 50 0 IFAARN O=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2ccccc2Br)CC1 ZINC000090616696 568892391 /nfs/dbraw/zinc/89/23/91/568892391.db2.gz VCBXLIAXBMUGKX-UHFFFAOYSA-N 0 0 427.320 2.873 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4cc(C)ccc4[nH]3)CC2)cc1 ZINC000006371913 568893675 /nfs/dbraw/zinc/89/36/75/568893675.db2.gz PNVUUUONXRNTMY-UHFFFAOYSA-N 0 0 444.582 2.805 50 0 IFAARN CC(C)(c1nnnn1-c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000035622578 568894070 /nfs/dbraw/zinc/89/40/70/568894070.db2.gz XXUKFPLUMRMTQL-UHFFFAOYSA-N 0 0 434.422 2.967 50 0 IFAARN C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CCCO1 ZINC000012981733 568894604 /nfs/dbraw/zinc/89/46/04/568894604.db2.gz DHAZPJRAMYHICX-WFASDCNBSA-N 0 0 436.361 2.577 50 0 IFAARN COc1cc2nc(CN3CCN(C(=O)c4ccccc4Cl)CC3)[nH]c(=O)c2cc1OC ZINC000018933280 568894689 /nfs/dbraw/zinc/89/46/89/568894689.db2.gz VQQHXMMKWZNODA-UHFFFAOYSA-N 0 0 442.903 2.552 50 0 IFAARN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3C)cc2)C1 ZINC000012982538 568894840 /nfs/dbraw/zinc/89/48/40/568894840.db2.gz IUMINFAGMIIDSV-SFHVURJKSA-N 0 0 430.526 2.750 50 0 IFAARN C[C@@H](Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012989494 568895290 /nfs/dbraw/zinc/89/52/90/568895290.db2.gz HSCQKJKMPDAPAZ-GDBMZVCRSA-N 0 0 445.545 2.905 50 0 IFAARN CCOC(=O)COc1ccc([C@@H](C)NC(=O)c2cc(OC)c3c(c2)OCCO3)cc1OC ZINC000032921915 568895821 /nfs/dbraw/zinc/89/58/21/568895821.db2.gz PXUBUOUCBCYHMG-CQSZACIVSA-N 0 0 445.468 2.908 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 ZINC000013010675 568899813 /nfs/dbraw/zinc/89/98/13/568899813.db2.gz BWRDEPHLCNANPS-SFHVURJKSA-N 0 0 443.569 2.793 50 0 IFAARN NC(=O)[C@H]1CC(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)=NN1c1ccc(F)cc1 ZINC000013012018 568901038 /nfs/dbraw/zinc/90/10/38/568901038.db2.gz BHUVSVLYWITUQZ-GOSISDBHSA-N 0 0 435.415 2.730 50 0 IFAARN COC(=O)c1ccccc1NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013012211 568901049 /nfs/dbraw/zinc/90/10/49/568901049.db2.gz FUPWRYVSQMEPKN-UHFFFAOYSA-N 0 0 435.477 2.541 50 0 IFAARN Cn1ccc(=O)n(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)c1=O ZINC000013016739 568901540 /nfs/dbraw/zinc/90/15/40/568901540.db2.gz GRRZHIQWJXQRHD-UHFFFAOYSA-N 0 0 430.258 2.741 50 0 IFAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000013022761 568902477 /nfs/dbraw/zinc/90/24/77/568902477.db2.gz AUGOBTSFZHQFIU-ZDUSSCGKSA-N 0 0 441.347 2.944 50 0 IFAARN CO[C@H]1CCN(c2ccc(C(=O)N3CC(n4cc(COc5ccccc5)nn4)C3)cc2)C1 ZINC000245053427 568902532 /nfs/dbraw/zinc/90/25/32/568902532.db2.gz OTYFDUCXWCGQPT-QHCPKHFHSA-N 0 0 433.512 2.779 50 0 IFAARN Cn1c2nc(N3CCCCC3)n(CCCSc3nc4ccccc4o3)c2c(=O)[nH]c1=O ZINC000006444822 568907277 /nfs/dbraw/zinc/90/72/77/568907277.db2.gz GYVWRPQGHBIHBV-UHFFFAOYSA-N 0 0 440.529 2.737 50 0 IFAARN COC(=O)c1sc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)OC)c1C ZINC000001801736 568908534 /nfs/dbraw/zinc/90/85/34/568908534.db2.gz BNDSRJAFDGHWAH-UHFFFAOYSA-N 0 0 445.902 2.696 50 0 IFAARN COCCN1C(=O)C(=C(C)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C(=O)NC1=S ZINC000105209936 568908649 /nfs/dbraw/zinc/90/86/49/568908649.db2.gz BAUXZSWOPAZLPX-NBVRZTHBSA-N 0 0 441.557 2.745 50 0 IFAARN CCOc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000089272061 568910094 /nfs/dbraw/zinc/91/00/94/568910094.db2.gz WRUQSOVRFBUESM-UHFFFAOYSA-N 0 0 431.558 2.647 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000241171000 568912130 /nfs/dbraw/zinc/91/21/30/568912130.db2.gz KDLLZBQBJKFOFS-QRVBRYPASA-N 0 0 425.529 2.724 50 0 IFAARN C[C@H](NC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)c1ccc2c(c1)OCCO2 ZINC000241897178 568912576 /nfs/dbraw/zinc/91/25/76/568912576.db2.gz TWIMERKDCUROMU-CWFSZBLJSA-N 0 0 447.491 2.909 50 0 IFAARN CC[C@H](C)C(=O)Nc1c2cc(N[C@H](C)CO)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000244853041 568912931 /nfs/dbraw/zinc/91/29/31/568912931.db2.gz VEEDIMUKVLRSTN-SQWLQELKSA-N 0 0 432.521 2.779 50 0 IFAARN O=C1[C@@H]2[C@H]3[C@@H]([C@@H]2C(=O)N1C1CCCCC1)[C@H]1C=C[C@@H]3[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000245231859 568913122 /nfs/dbraw/zinc/91/31/22/568913122.db2.gz KSOCXRSCFJVURG-QSWMWHTMSA-N 0 0 436.552 2.916 50 0 IFAARN COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000245256338 568914030 /nfs/dbraw/zinc/91/40/30/568914030.db2.gz PFOBDPJVWPMEPM-BXWFABGCSA-N 0 0 429.517 2.612 50 0 IFAARN C[C@H](NC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)c1ccccc1 ZINC000245380983 568915235 /nfs/dbraw/zinc/91/52/35/568915235.db2.gz YSSRYQXLQDZDLL-ZOCIIQOWSA-N 0 0 429.567 2.787 50 0 IFAARN Cc1ccc(CN(C)S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 ZINC000026752738 568916304 /nfs/dbraw/zinc/91/63/04/568916304.db2.gz ZLEYGIOCAWRNFL-UHFFFAOYSA-N 0 0 425.304 2.909 50 0 IFAARN C[C@H](CNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)c1ccccc1 ZINC000247988409 568918914 /nfs/dbraw/zinc/91/89/14/568918914.db2.gz JLZYPLVYZZMXAJ-NIKGAXFTSA-N 0 0 429.567 2.900 50 0 IFAARN COC(=O)CNC(=O)c1cccc(NC(=O)c2sc3ccccc3c2C[S@@](C)=O)c1 ZINC000089400947 568922669 /nfs/dbraw/zinc/92/26/69/568922669.db2.gz WUEUREVWLYPGLY-PMERELPUSA-N 0 0 444.534 2.935 50 0 IFAARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(F)cc3)nc(N3CCOCC3)n2)cc1 ZINC000252633669 568926239 /nfs/dbraw/zinc/92/62/39/568926239.db2.gz WFLDSFCJAZSYLU-UHFFFAOYSA-N 0 0 438.423 2.945 50 0 IFAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc32)no1 ZINC000064450569 568928564 /nfs/dbraw/zinc/92/85/64/568928564.db2.gz LRJCORPBPCQCHA-UHFFFAOYSA-N 0 0 428.470 2.721 50 0 IFAARN CC(C)CCNS(=O)(=O)c1ccc2c(c1)N(Cc1noc(C3CCC3)n1)C(=O)CO2 ZINC000064450755 568928768 /nfs/dbraw/zinc/92/87/68/568928768.db2.gz BZDMCZWFDFYKNP-UHFFFAOYSA-N 0 0 434.518 2.587 50 0 IFAARN COc1cc(Cl)ccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)c(=O)n2C ZINC000064526290 568931431 /nfs/dbraw/zinc/93/14/31/568931431.db2.gz BBVQGBDJLZXLMA-UHFFFAOYSA-N 0 0 442.903 2.752 50 0 IFAARN CC(=O)N(Cc1nn(C)c2c1CN(S(=O)(=O)c1ccccc1F)CC2)c1ccccc1 ZINC000064566770 568933735 /nfs/dbraw/zinc/93/37/35/568933735.db2.gz FZYDHOHXZGLRLJ-UHFFFAOYSA-N 0 0 442.516 2.859 50 0 IFAARN CC(=O)N(Cc1nn(C)c2c1CN(S(=O)(=O)c1cccs1)CC2)c1ccccc1 ZINC000064566755 568933781 /nfs/dbraw/zinc/93/37/81/568933781.db2.gz AZSWZCZYJWHTFO-UHFFFAOYSA-N 0 0 430.555 2.782 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3c4ccccc4C[C@@H]3C)CC2)c(C)c1 ZINC000006586592 568933878 /nfs/dbraw/zinc/93/38/78/568933878.db2.gz LVAPSRPSWHGOEV-IBGZPJMESA-N 0 0 427.570 2.588 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000064592980 568935629 /nfs/dbraw/zinc/93/56/29/568935629.db2.gz YAEAUNQMYAILDW-UHFFFAOYSA-N 0 0 425.445 2.759 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)cc1OC ZINC000064593467 568935928 /nfs/dbraw/zinc/93/59/28/568935928.db2.gz ZSDCZZWVIDMAPD-UHFFFAOYSA-N 0 0 437.481 2.628 50 0 IFAARN O=C(CSc1nnc2c(=O)n(-c3ccccc3)ccn12)NCc1ccc(Cl)cc1 ZINC000064593475 568935952 /nfs/dbraw/zinc/93/59/52/568935952.db2.gz IXMDJOVNZINCHU-UHFFFAOYSA-N 0 0 425.901 2.942 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1=O)C3 ZINC000100792847 568936548 /nfs/dbraw/zinc/93/65/48/568936548.db2.gz JPTJNPBUCICDGR-OAQYLSRUSA-N 0 0 435.480 2.884 50 0 IFAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000026993195 568936850 /nfs/dbraw/zinc/93/68/50/568936850.db2.gz SZSLDUUSGYWISH-UHFFFAOYSA-N 0 0 433.917 2.925 50 0 IFAARN COc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O ZINC000089552945 568937308 /nfs/dbraw/zinc/93/73/08/568937308.db2.gz MPNDMXZRNOTEOE-ZBFHGGJFSA-N 0 0 439.468 2.577 50 0 IFAARN COc1ccccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O ZINC000089552940 568937443 /nfs/dbraw/zinc/93/74/43/568937443.db2.gz MPNDMXZRNOTEOE-GOEBONIOSA-N 0 0 439.468 2.577 50 0 IFAARN CC(C)n1nc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c2ccccc2c1=O ZINC000016684676 568937839 /nfs/dbraw/zinc/93/78/39/568937839.db2.gz NJLOKUHKKDQQQD-UHFFFAOYSA-N 0 0 431.456 2.845 50 0 IFAARN NS(=O)(=O)c1ccc(OCCOC(=O)c2cccnc2Nc2ccccc2F)cc1 ZINC000016694838 568938928 /nfs/dbraw/zinc/93/89/28/568938928.db2.gz UYWWNEZBUKYJGS-UHFFFAOYSA-N 0 0 431.445 2.848 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1=O)C3 ZINC000036370025 568940134 /nfs/dbraw/zinc/94/01/34/568940134.db2.gz JPTJNPBUCICDGR-NRFANRHFSA-N 0 0 435.480 2.884 50 0 IFAARN O=C(Nc1cccc(F)c1)N1CCC2(CC1)NCC(=O)N2Cc1ccc2c(c1)OCO2 ZINC000036024312 568942307 /nfs/dbraw/zinc/94/23/07/568942307.db2.gz XKZNCHSKAVLNJZ-UHFFFAOYSA-N 0 0 426.448 2.510 50 0 IFAARN CCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccco1 ZINC000036072727 568945669 /nfs/dbraw/zinc/94/56/69/568945669.db2.gz LTCNIMANXYTRGZ-UHFFFAOYSA-N 0 0 433.512 2.938 50 0 IFAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C(C)C)C(C)C)CC3)nn2)c1 ZINC000036073910 568946237 /nfs/dbraw/zinc/94/62/37/568946237.db2.gz FLYILZJDFQQNSF-UHFFFAOYSA-N 0 0 439.560 2.694 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036085600 568947753 /nfs/dbraw/zinc/94/77/53/568947753.db2.gz FDEQHXUKLNFRMA-ZDUSSCGKSA-N 0 0 430.867 2.763 50 0 IFAARN CCN(CC)C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036085736 568948150 /nfs/dbraw/zinc/94/81/50/568948150.db2.gz JHSVHFTUXITOHW-UHFFFAOYSA-N 0 0 426.904 2.886 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036085771 568948224 /nfs/dbraw/zinc/94/82/24/568948224.db2.gz YYNJZUOVIZUPAS-ZDUSSCGKSA-N 0 0 430.867 2.763 50 0 IFAARN CC(C)CNC(=O)c1nn(-c2ccccc2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036085954 568948226 /nfs/dbraw/zinc/94/82/26/568948226.db2.gz ZJBVCMILZZFQKU-UHFFFAOYSA-N 0 0 446.429 2.847 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036085789 568948339 /nfs/dbraw/zinc/94/83/39/568948339.db2.gz MNWYVLXRSPGXOF-AWEZNQCLSA-N 0 0 442.903 2.633 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NC(C)C)c(=O)n(Cc3ccccc3Cl)c2=O)cc1C ZINC000036086462 568948603 /nfs/dbraw/zinc/94/86/03/568948603.db2.gz IUPZYSLPCKGHQA-UHFFFAOYSA-N 0 0 426.904 2.851 50 0 IFAARN COc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036087138 568949325 /nfs/dbraw/zinc/94/93/25/568949325.db2.gz NSFLNEOYEZWLIH-UHFFFAOYSA-N 0 0 446.438 2.843 50 0 IFAARN CCNC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000036087059 568949392 /nfs/dbraw/zinc/94/93/92/568949392.db2.gz WJPYVVTVRTUEBF-UHFFFAOYSA-N 0 0 432.402 2.519 50 0 IFAARN CC(C)CNC(=O)c1nn(-c2cccc(F)c2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036088522 568949977 /nfs/dbraw/zinc/94/99/77/568949977.db2.gz NONLWVWYNNIWID-UHFFFAOYSA-N 0 0 430.867 2.621 50 0 IFAARN Cc1ccc(-n2nc(C(=O)N3CCCC3)c(=O)n(Cc3cccc(Cl)c3)c2=O)cc1F ZINC000036088939 568950137 /nfs/dbraw/zinc/95/01/37/568950137.db2.gz LQXWACXJSSIGQS-UHFFFAOYSA-N 0 0 442.878 2.779 50 0 IFAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccccc3)nn(-c3cccc(F)c3)c2=O)cc1 ZINC000036088402 568950362 /nfs/dbraw/zinc/95/03/62/568950362.db2.gz LPMKRXFJYZQAIX-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN COc1ccc(OC[C@H](O)CN(CCN2CCOCC2)Cc2ccc(F)cc2F)cc1 ZINC000036104016 568952881 /nfs/dbraw/zinc/95/28/81/568952881.db2.gz UIZWNMWNYUJZQP-HXUWFJFHSA-N 0 0 436.499 2.548 50 0 IFAARN O=C1CN(S(=O)(=O)c2ccc(Br)s2)C[C@H]2c3ccccc3CCN12 ZINC000036108758 568953727 /nfs/dbraw/zinc/95/37/27/568953727.db2.gz DMUNHYVBFISOQX-ZDUSSCGKSA-N 0 0 427.345 2.641 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)Nc1ccccc1F ZINC000064775059 568954369 /nfs/dbraw/zinc/95/43/69/568954369.db2.gz CDNKQWUFOANPKY-UHFFFAOYSA-N 0 0 449.486 2.709 50 0 IFAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)NC2CC2)n1C[C@@H]1CCCO1 ZINC000064794584 568959878 /nfs/dbraw/zinc/95/98/78/568959878.db2.gz FNGODSCBZLAMKS-LBPRGKRZSA-N 0 0 430.559 2.687 50 0 IFAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)NC2CC2)n1C[C@H]1CCCO1 ZINC000064794587 568959926 /nfs/dbraw/zinc/95/99/26/568959926.db2.gz FNGODSCBZLAMKS-GFCCVEGCSA-N 0 0 430.559 2.687 50 0 IFAARN CCn1nc(C)c2nc(SCC(=O)NC(C)C)n(Cc3ccccc3OC)c(=O)c21 ZINC000064817278 568964478 /nfs/dbraw/zinc/96/44/78/568964478.db2.gz DDGTXZBOYNHCOP-UHFFFAOYSA-N 0 0 429.546 2.595 50 0 IFAARN CCn1nc(C)c2nc(SCC(=O)NCc3ccco3)n(Cc3ccco3)c(=O)c21 ZINC000064817457 568964656 /nfs/dbraw/zinc/96/46/56/568964656.db2.gz BBJKZOMZSCVWOT-UHFFFAOYSA-N 0 0 427.486 2.564 50 0 IFAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)Nc3cccc(C)c3C)n2)CC1 ZINC000064818134 568964994 /nfs/dbraw/zinc/96/49/94/568964994.db2.gz MTZMPKYCFFEJAC-UHFFFAOYSA-N 0 0 447.539 2.834 50 0 IFAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)Nc3c(C)cccc3C)n2)CC1 ZINC000064818135 568965018 /nfs/dbraw/zinc/96/50/18/568965018.db2.gz CEHNYAPMWLQLQA-UHFFFAOYSA-N 0 0 447.539 2.834 50 0 IFAARN CCCOC(=O)Cn1c2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2oc1=O ZINC000064818859 568965495 /nfs/dbraw/zinc/96/54/95/568965495.db2.gz MZTFJNCWFPYKPC-UHFFFAOYSA-N 0 0 434.470 2.747 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc3ccccc32)cn1C ZINC000064818977 568965699 /nfs/dbraw/zinc/96/56/99/568965699.db2.gz PCFFGEYAUFQCJI-LJQANCHMSA-N 0 0 441.509 2.757 50 0 IFAARN CCCC(=O)OC[C@H](O)CN(Cc1ccco1)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036158892 568967064 /nfs/dbraw/zinc/96/70/64/568967064.db2.gz JLWJQYBCCKUSIG-CQSZACIVSA-N 0 0 445.541 2.773 50 0 IFAARN COc1ccc(-c2noc(-c3ccc(N4CCN(C(=O)c5ccco5)CC4)nn3)n2)cc1 ZINC000064838008 568970127 /nfs/dbraw/zinc/97/01/27/568970127.db2.gz ZMRCXFKWKQPLAG-UHFFFAOYSA-N 0 0 432.440 2.758 50 0 IFAARN Cc1cccc(OCc2nc(CCN(C)S(=O)(=O)c3ccc4c(c3)OCCO4)no2)c1 ZINC000064841780 568970487 /nfs/dbraw/zinc/97/04/87/568970487.db2.gz VJUFLYXGAIHRKO-UHFFFAOYSA-N 0 0 445.497 2.591 50 0 IFAARN CCCCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC3CCCCC3)cc2C1=O ZINC000036188703 568970779 /nfs/dbraw/zinc/97/07/79/568970779.db2.gz UODIQZFDPXUHAA-AWEZNQCLSA-N 0 0 443.500 2.787 50 0 IFAARN CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 ZINC000064846552 568972030 /nfs/dbraw/zinc/97/20/30/568972030.db2.gz JHMCCFWVOUQPJX-KRWDZBQOSA-N 0 0 435.590 2.835 50 0 IFAARN CCOC[C@H](O)CN(CCOC)Cc1nc(=O)c2c(-c3ccccc3F)csc2[nH]1 ZINC000036206245 568972641 /nfs/dbraw/zinc/97/26/41/568972641.db2.gz FLVPJGMHNXZUHU-CQSZACIVSA-N 0 0 435.521 2.637 50 0 IFAARN CCCN(Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)C[C@H](O)COC(C)(C)C ZINC000036206689 568972870 /nfs/dbraw/zinc/97/28/70/568972870.db2.gz DGOHFRKDDOKUIM-AWEZNQCLSA-N 0 0 439.578 2.858 50 0 IFAARN CCOC[C@@H](O)CN(CCOC)Cc1nc(=O)c2c(-c3ccccc3F)csc2[nH]1 ZINC000036206246 568972912 /nfs/dbraw/zinc/97/29/12/568972912.db2.gz FLVPJGMHNXZUHU-AWEZNQCLSA-N 0 0 435.521 2.637 50 0 IFAARN O=C(N[C@H](C(=O)NC1CC1)C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000036208780 568973605 /nfs/dbraw/zinc/97/36/05/568973605.db2.gz SGACPABCKOKHAR-NRFANRHFSA-N 0 0 441.478 2.894 50 0 IFAARN COc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3cccs3)C(=O)NC3CC3)CC2)c1 ZINC000036209541 568974047 /nfs/dbraw/zinc/97/40/47/568974047.db2.gz MJRGGKYBCWKNJR-HXUWFJFHSA-N 0 0 441.553 2.686 50 0 IFAARN CNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc21 ZINC000064862413 568974106 /nfs/dbraw/zinc/97/41/06/568974106.db2.gz YSAYQBDFPFIUMK-KRWDZBQOSA-N 0 0 428.558 2.596 50 0 IFAARN CCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036210461 568974703 /nfs/dbraw/zinc/97/47/03/568974703.db2.gz SYNCDKHGUBZHKW-NRFANRHFSA-N 0 0 431.577 2.995 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036210597 568974992 /nfs/dbraw/zinc/97/49/92/568974992.db2.gz OVGSIGABHWAGLI-HSZRJFAPSA-N 0 0 449.551 2.968 50 0 IFAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)N3CCC4(CC3)OCCO4)c2)c1C ZINC000064867252 568975151 /nfs/dbraw/zinc/97/51/51/568975151.db2.gz HWXONEDMJHEDPR-UHFFFAOYSA-N 0 0 448.541 2.796 50 0 IFAARN CCOC(=O)c1c(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(C)n1C ZINC000064863115 568975330 /nfs/dbraw/zinc/97/53/30/568975330.db2.gz JKIAKDOPYXBTSK-UHFFFAOYSA-N 0 0 439.965 2.983 50 0 IFAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2cc(OC)cc(OC)c2)c2ccccc2N1 ZINC000064869186 568975638 /nfs/dbraw/zinc/97/56/38/568975638.db2.gz MKZAPOXOBPFKRE-UHFFFAOYSA-N 0 0 425.441 2.548 50 0 IFAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2N1 ZINC000064869274 568975683 /nfs/dbraw/zinc/97/56/83/568975683.db2.gz ZNUWHVSODPPOSC-UHFFFAOYSA-N 0 0 437.452 2.692 50 0 IFAARN CCCNC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000036212291 568976003 /nfs/dbraw/zinc/97/60/03/568976003.db2.gz MTXOWWCJHMNQHP-FQEVSTJZSA-N 0 0 443.569 2.934 50 0 IFAARN Cc1ccc(C(=O)N[C@H](C(=O)NCc2ccco2)C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000036212994 568976828 /nfs/dbraw/zinc/97/68/28/568976828.db2.gz ZMGXBXLBGLQMKN-NRFANRHFSA-N 0 0 425.529 2.897 50 0 IFAARN COc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2ccc(C)cc2)C(=O)NC2CC2)CC1 ZINC000036213287 568976947 /nfs/dbraw/zinc/97/69/47/568976947.db2.gz NTNFONNKNYWNER-HSZRJFAPSA-N 0 0 449.551 2.933 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)NC(C)C)CC2)cc1 ZINC000036214010 568977154 /nfs/dbraw/zinc/97/71/54/568977154.db2.gz SCPNBKBMSZLOMP-OAQYLSRUSA-N 0 0 444.576 2.636 50 0 IFAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036214210 568977260 /nfs/dbraw/zinc/97/72/60/568977260.db2.gz LFLNRKOWZNRADT-HXUWFJFHSA-N 0 0 428.577 2.936 50 0 IFAARN Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3nccnc32)c1 ZINC000064874411 568978670 /nfs/dbraw/zinc/97/86/70/568978670.db2.gz WEKDYCHIKMRHGE-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3nccnc32)cc1C ZINC000064874416 568978673 /nfs/dbraw/zinc/97/86/73/568978673.db2.gz OAYJOEGRFAFOMV-UHFFFAOYSA-N 0 0 449.898 2.910 50 0 IFAARN COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000036227798 568978818 /nfs/dbraw/zinc/97/88/18/568978818.db2.gz VRZDIBRGLAJJLT-UHFFFAOYSA-N 0 0 431.558 2.764 50 0 IFAARN COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000036227765 568978824 /nfs/dbraw/zinc/97/88/24/568978824.db2.gz ZDKQIWGMDVPJAF-UHFFFAOYSA-N 0 0 431.558 2.764 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3nccnc32)cc1C ZINC000064887579 568978996 /nfs/dbraw/zinc/97/89/96/568978996.db2.gz MUZXAEPRZYWLAI-UHFFFAOYSA-N 0 0 449.898 2.910 50 0 IFAARN COc1cccc(CNC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000064888902 568979689 /nfs/dbraw/zinc/97/96/89/568979689.db2.gz QRVKWPSMBSPVPY-UHFFFAOYSA-N 0 0 442.541 2.536 50 0 IFAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)N3CCNC3=O)cc12 ZINC000036240858 568981508 /nfs/dbraw/zinc/98/15/08/568981508.db2.gz JSGIKNGGLOLISR-UHFFFAOYSA-N 0 0 432.889 2.817 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000036254132 568984469 /nfs/dbraw/zinc/98/44/69/568984469.db2.gz ZRNTWXILUKJHHQ-UHFFFAOYSA-N 0 0 431.558 2.647 50 0 IFAARN CC(C)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036254609 568984809 /nfs/dbraw/zinc/98/48/09/568984809.db2.gz GMMRLFMZNXLFLG-QFIPXVFZSA-N 0 0 429.561 2.894 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)s1)N1CCCC1 ZINC000064919674 568985230 /nfs/dbraw/zinc/98/52/30/568985230.db2.gz SVWKUXOMROAALM-UHFFFAOYSA-N 0 0 437.562 2.563 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1)OCC(=O)N2 ZINC000064920758 568985425 /nfs/dbraw/zinc/98/54/25/568985425.db2.gz OLDLNWBRCDTBLO-MRXNPFEDSA-N 0 0 449.916 2.771 50 0 IFAARN Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 ZINC000064921268 568985696 /nfs/dbraw/zinc/98/56/96/568985696.db2.gz MOMFXHCGWXMHMF-MRXNPFEDSA-N 0 0 449.916 2.771 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1 ZINC000064921722 568985770 /nfs/dbraw/zinc/98/57/70/568985770.db2.gz VWMUDTBZDIGVHS-OAHLLOKOSA-N 0 0 443.525 2.754 50 0 IFAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2NC1=O ZINC000064922010 568985851 /nfs/dbraw/zinc/98/58/51/568985851.db2.gz ZHZFHNNCTDLIAV-LJQANCHMSA-N 0 0 443.525 2.836 50 0 IFAARN Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000064924486 568986190 /nfs/dbraw/zinc/98/61/90/568986190.db2.gz MHZXMKRFVKIRCW-UHFFFAOYSA-N 0 0 448.527 2.857 50 0 IFAARN Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)NCc1ccccc1F ZINC000064925093 568986426 /nfs/dbraw/zinc/98/64/26/568986426.db2.gz ZTXRXPQZIKFQBE-UHFFFAOYSA-N 0 0 438.507 2.504 50 0 IFAARN COc1ccc(OC)c(CNC(=O)CCc2c(C)nn(-c3cc(N(C)C)ncn3)c2C)c1 ZINC000064925276 568986528 /nfs/dbraw/zinc/98/65/28/568986528.db2.gz ZQNCDBHUSSYURW-UHFFFAOYSA-N 0 0 438.532 2.611 50 0 IFAARN CCn1c2ccccc2nc(N2CCN(C(=O)Nc3ccccc3C(=O)OC)CC2)c1=O ZINC000064926173 568986903 /nfs/dbraw/zinc/98/69/03/568986903.db2.gz YJSATISEUMUAEA-UHFFFAOYSA-N 0 0 435.484 2.557 50 0 IFAARN CCOCCCNC(=O)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000064926089 568986942 /nfs/dbraw/zinc/98/69/42/568986942.db2.gz MXTJORUWGWQYDT-UHFFFAOYSA-N 0 0 449.555 2.703 50 0 IFAARN COc1ccccc1CNC(=O)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928437 568987614 /nfs/dbraw/zinc/98/76/14/568987614.db2.gz YEBNWQXYRITDEE-GOSISDBHSA-N 0 0 436.487 2.913 50 0 IFAARN COc1ccc(F)cc1-c1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ncn1 ZINC000064929304 568988164 /nfs/dbraw/zinc/98/81/64/568988164.db2.gz NYHVOGRUZGUKGA-UHFFFAOYSA-N 0 0 442.516 2.943 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000064929821 568988339 /nfs/dbraw/zinc/98/83/39/568988339.db2.gz JSJKPBKGAAIFAN-UHFFFAOYSA-N 0 0 448.976 2.921 50 0 IFAARN CCOC(=O)CNC(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000064930458 568988904 /nfs/dbraw/zinc/98/89/04/568988904.db2.gz AZCVZMZOBJALIS-CYBMUJFWSA-N 0 0 437.909 2.853 50 0 IFAARN CCN(CC)C(=O)Cn1c2c3cccnc3sc2c(=O)n(-c2ccccc2F)c1=O ZINC000064942043 568991289 /nfs/dbraw/zinc/99/12/89/568991289.db2.gz ADJDSAJSXKOQMB-UHFFFAOYSA-N 0 0 426.473 2.770 50 0 IFAARN CC(C)N1CCN(C(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)CC1 ZINC000169681192 568991786 /nfs/dbraw/zinc/99/17/86/568991786.db2.gz SDMNKMNJQJPEDZ-UHFFFAOYSA-N 0 0 429.524 2.864 50 0 IFAARN O=C(Cn1nc(S(=O)(=O)c2ccc(Cl)cc2)ccc1=O)Nc1ccc(F)cc1F ZINC000064943116 568992329 /nfs/dbraw/zinc/99/23/29/568992329.db2.gz QHRMWNHXVFQCNF-UHFFFAOYSA-N 0 0 439.827 2.646 50 0 IFAARN O=C(Cn1nc(S(=O)(=O)c2ccc(Cl)cc2)ccc1=O)Nc1ccc(F)c(F)c1 ZINC000064943165 568992412 /nfs/dbraw/zinc/99/24/12/568992412.db2.gz DUUNNICSUISEPB-UHFFFAOYSA-N 0 0 439.827 2.646 50 0 IFAARN Cc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)n2)c1 ZINC000064943551 568992739 /nfs/dbraw/zinc/99/27/39/568992739.db2.gz RIGXFCYTEGOCAM-UHFFFAOYSA-N 0 0 425.510 2.948 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)n2)cc1 ZINC000064943876 568993065 /nfs/dbraw/zinc/99/30/65/568993065.db2.gz FBCCUKFTWCWEBR-UHFFFAOYSA-N 0 0 425.510 2.516 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)c(C)c1 ZINC000064943703 568993080 /nfs/dbraw/zinc/99/30/80/568993080.db2.gz IZSMCSZUNJOOJV-UHFFFAOYSA-N 0 0 429.473 2.779 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)n2)cc1 ZINC000064943916 568993131 /nfs/dbraw/zinc/99/31/31/568993131.db2.gz OKJOLXIYKGMWEV-UHFFFAOYSA-N 0 0 443.500 2.655 50 0 IFAARN O=c1oc2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2n1Cc1noc(C2CC2)n1 ZINC000064946914 568993725 /nfs/dbraw/zinc/99/37/25/568993725.db2.gz GGODHKNYMCDPLV-UHFFFAOYSA-N 0 0 430.417 2.843 50 0 IFAARN O=C(CCc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)NCCc1cccnc1 ZINC000064947378 568995136 /nfs/dbraw/zinc/99/51/36/568995136.db2.gz XCXKOBDVLHKVIM-UHFFFAOYSA-N 0 0 429.459 2.870 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000064950775 568996150 /nfs/dbraw/zinc/99/61/50/568996150.db2.gz ARTLQLGTTBGODY-UHFFFAOYSA-N 0 0 429.542 2.786 50 0 IFAARN O=C(NC[C@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000036310537 568996609 /nfs/dbraw/zinc/99/66/09/568996609.db2.gz IJKYBEFNQJYUMO-RTWAWAEBSA-N 0 0 432.540 2.829 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccc(Cl)cc1 ZINC000064956652 568998371 /nfs/dbraw/zinc/99/83/71/568998371.db2.gz ATHIOANMATVHDJ-UHFFFAOYSA-N 0 0 436.925 2.593 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(OC)cc4s3)CC2)c1 ZINC000064957411 568999454 /nfs/dbraw/zinc/99/94/54/568999454.db2.gz IPVGUIYWWZVOOJ-UHFFFAOYSA-N 0 0 449.558 2.561 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)c(Cl)c3)CC2)c1 ZINC000064957510 568999645 /nfs/dbraw/zinc/99/96/45/568999645.db2.gz KDNBLVMUMSCJGG-UHFFFAOYSA-N 0 0 426.926 2.604 50 0 IFAARN Cc1noc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)c1C ZINC000064958579 568999788 /nfs/dbraw/zinc/99/97/88/568999788.db2.gz NWMMZIFTGIIRDY-UHFFFAOYSA-N 0 0 445.497 2.787 50 0 IFAARN CCOc1cc(CNC(=O)Cn2c(C)nc3onc(C)c3c2=O)cc(OCC)c1OCC ZINC000064960527 569000399 /nfs/dbraw/zinc/00/03/99/569000399.db2.gz IYODHTZIVDPYLI-UHFFFAOYSA-N 0 0 444.488 2.514 50 0 IFAARN Cc1cccc(NC(=O)Cn2cc(C(=O)N3CCSCC3)c(=O)c3ccc(C)nc32)c1 ZINC000064963881 569000865 /nfs/dbraw/zinc/00/08/65/569000865.db2.gz SOUOROUDALBQNN-UHFFFAOYSA-N 0 0 436.537 2.841 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1 ZINC000064965755 569000998 /nfs/dbraw/zinc/00/09/98/569000998.db2.gz GUKLZUUAZYASOQ-UHFFFAOYSA-N 0 0 425.554 2.966 50 0 IFAARN Cc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)NC2=O)cc1C ZINC000064965768 569001045 /nfs/dbraw/zinc/00/10/45/569001045.db2.gz OYBPCMLTHHKKJJ-UHFFFAOYSA-N 0 0 433.480 2.682 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)NCCc2nnc(Cc3ccc(C)cc3)[nH]2)cc1 ZINC000064969655 569076216 /nfs/dbraw/zinc/07/62/16/569076216.db2.gz KCBLEENNSSITJZ-UHFFFAOYSA-N 0 0 427.530 2.573 50 0 IFAARN O=S(=O)(NCCc1nnc(Cc2cccc(F)c2)[nH]1)c1ccccc1Br ZINC000064969746 569076230 /nfs/dbraw/zinc/07/62/30/569076230.db2.gz NRZIWIQIVIUTFB-UHFFFAOYSA-N 0 0 439.310 2.818 50 0 IFAARN O=S(=O)(NCCc1nnc(Cc2ccccc2)[nH]1)c1ccc(Br)s1 ZINC000064969913 569076286 /nfs/dbraw/zinc/07/62/86/569076286.db2.gz FOEAGCNHKATNJW-UHFFFAOYSA-N 0 0 427.349 2.741 50 0 IFAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCN(C(C)=O)CC2)cc1 ZINC000036341167 569079148 /nfs/dbraw/zinc/07/91/48/569079148.db2.gz OWJRAWULCLSSPB-HSZRJFAPSA-N 0 0 438.503 2.676 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCC(C(N)=O)CC3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000036342316 569079278 /nfs/dbraw/zinc/07/92/78/569079278.db2.gz IQCYQYZETSXYPC-QFIPXVFZSA-N 0 0 438.503 2.709 50 0 IFAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCN(C)CC2)c(OC)c1 ZINC000036344193 569080029 /nfs/dbraw/zinc/08/00/29/569080029.db2.gz ZVHILCKGTRMXLW-JOCHJYFZSA-N 0 0 440.519 2.768 50 0 IFAARN CN1CCN(c2cc3c(cc2S(=O)(=O)N2CCCC2)C(=O)Nc2ccccc2O3)CC1 ZINC000064986568 569082256 /nfs/dbraw/zinc/08/22/56/569082256.db2.gz PEGQPGFPUALGST-UHFFFAOYSA-N 0 0 442.541 2.581 50 0 IFAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000064986223 569082324 /nfs/dbraw/zinc/08/23/24/569082324.db2.gz BFDMFCOYYKTBOP-QFIPXVFZSA-N 0 0 438.505 2.968 50 0 IFAARN CC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2cccc(Br)c2)c1=O ZINC000064987506 569082691 /nfs/dbraw/zinc/08/26/91/569082691.db2.gz DGIJSIYTEPHTDC-UHFFFAOYSA-N 0 0 429.274 2.780 50 0 IFAARN COC(=O)c1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1C ZINC000064988666 569083660 /nfs/dbraw/zinc/08/36/60/569083660.db2.gz CZNJEFVNRKDXAO-IBGZPJMESA-N 0 0 432.498 2.646 50 0 IFAARN COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 ZINC000064988608 569083665 /nfs/dbraw/zinc/08/36/65/569083665.db2.gz YAYZSJLSRBMVKD-IBGZPJMESA-N 0 0 432.498 2.646 50 0 IFAARN COc1ccc(NC(=O)c2nnc(CNS(=O)(=O)c3ccc(C)cc3C)s2)cc1 ZINC000064991635 569084724 /nfs/dbraw/zinc/08/47/24/569084724.db2.gz DZSWSLIEZOKBDD-UHFFFAOYSA-N 0 0 432.527 2.894 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2c(c1)nc(CN1CCOCC1)n2C ZINC000036358265 569084969 /nfs/dbraw/zinc/08/49/69/569084969.db2.gz WQTINOYMHOCCMU-QFIPXVFZSA-N 0 0 438.484 2.704 50 0 IFAARN COC(=O)c1ccc(COc2coc(CN3CCN(Cc4ccccc4)CC3)cc2=O)o1 ZINC000036357719 569085168 /nfs/dbraw/zinc/08/51/68/569085168.db2.gz ZNUPAUUMMDIYNJ-UHFFFAOYSA-N 0 0 438.480 2.916 50 0 IFAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4ccccc4F)CC3)c3ncn(C)c(=O)c32)cc1 ZINC000064998300 569085176 /nfs/dbraw/zinc/08/51/76/569085176.db2.gz DOBFQVBHVDQICX-UHFFFAOYSA-N 0 0 446.486 2.529 50 0 IFAARN Cc1nc2ccccc2nc1N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(CO)ccc32)CC1 ZINC000036358929 569085393 /nfs/dbraw/zinc/08/53/93/569085393.db2.gz GMQGCSFDNVPKSK-QFIPXVFZSA-N 0 0 431.496 2.860 50 0 IFAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000036365578 569086787 /nfs/dbraw/zinc/08/67/87/569086787.db2.gz KIQMSNWDUVIFJU-HXUWFJFHSA-N 0 0 436.516 2.890 50 0 IFAARN Cn1c(=O)c(-c2cn3cc(Br)ccc3n2)c(-c2ccc(F)cc2)n(C)c1=O ZINC000036365020 569086846 /nfs/dbraw/zinc/08/68/46/569086846.db2.gz NQWRGZGVNOXJHJ-UHFFFAOYSA-N 0 0 429.249 2.967 50 0 IFAARN COc1ccc(OC)c(NC(=O)N(C)Cc2nc3cc(C(=O)N(C)C)ccc3n2C)c1 ZINC000065008379 569087439 /nfs/dbraw/zinc/08/74/39/569087439.db2.gz SYUMQQFYOCYHEM-UHFFFAOYSA-N 0 0 425.489 2.956 50 0 IFAARN COc1cc(NC(=O)N(C)Cc2nc3cc(C(=O)N(C)C)ccc3n2C)cc(OC)c1 ZINC000065008430 569087523 /nfs/dbraw/zinc/08/75/23/569087523.db2.gz BSSNSOGVSJETTA-UHFFFAOYSA-N 0 0 425.489 2.956 50 0 IFAARN CC(C)n1c(=O)cc(N2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n(C(C)C)c1=O ZINC000065024423 569089623 /nfs/dbraw/zinc/08/96/23/569089623.db2.gz QTLYNWZADRJISO-UHFFFAOYSA-N 0 0 436.915 2.927 50 0 IFAARN COCCNC(=O)c1cc(COc2ccc(NC(=O)c3ccccc3OC)cc2)on1 ZINC000065027314 569090250 /nfs/dbraw/zinc/09/02/50/569090250.db2.gz JLYUIGGIVUXQHJ-UHFFFAOYSA-N 0 0 425.441 2.891 50 0 IFAARN O=C(CSc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nn1)NC[C@H]1CCCO1 ZINC000065025992 569090865 /nfs/dbraw/zinc/09/08/65/569090865.db2.gz YPWKZNOBIOPXEN-GOSISDBHSA-N 0 0 447.992 2.844 50 0 IFAARN CCc1ccccc1NC(=O)NCCn1nnc2cc(S(=O)(=O)NC(C)C)ccc21 ZINC000065029995 569091186 /nfs/dbraw/zinc/09/11/86/569091186.db2.gz FZPFNEWPJSBXBV-UHFFFAOYSA-N 0 0 430.534 2.502 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccccc1Cl ZINC000065029977 569091189 /nfs/dbraw/zinc/09/11/89/569091189.db2.gz FBFPIBODPLFVBK-UHFFFAOYSA-N 0 0 436.925 2.593 50 0 IFAARN O=C(Cn1cccc1-c1nnc(C2CCC2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000065035852 569092479 /nfs/dbraw/zinc/09/24/79/569092479.db2.gz ZEBHZEGRFTXTTG-UHFFFAOYSA-N 0 0 449.511 2.879 50 0 IFAARN COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)cc(F)cc4c(=O)c3C2)c(OC)c1 ZINC000065035024 569092483 /nfs/dbraw/zinc/09/24/83/569092483.db2.gz KRCFLOVCODRXAF-UHFFFAOYSA-N 0 0 425.460 2.990 50 0 IFAARN CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@]3(CCCC[C@H]3C)C1=O)O[C@H](C)C2 ZINC000036384444 569092724 /nfs/dbraw/zinc/09/27/24/569092724.db2.gz MJKFMUXNDIJRQZ-WBPRFABPSA-N 0 0 429.517 2.526 50 0 IFAARN CC(=O)c1ccc(OCCCC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000036384812 569092890 /nfs/dbraw/zinc/09/28/90/569092890.db2.gz HSZCJAMPDNCORT-UHFFFAOYSA-N 0 0 441.503 2.970 50 0 IFAARN Cc1ccc2c(c1)N(C(=O)Cn1ccn3nc(-c4ccc(F)cc4)c(CO)c3c1=O)CCO2 ZINC000169752345 569093109 /nfs/dbraw/zinc/09/31/09/569093109.db2.gz XUERHMQPQZYFIV-UHFFFAOYSA-N 0 0 448.454 2.528 50 0 IFAARN COc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC5CC5)CC4)c3CO2)cc1 ZINC000169758890 569093888 /nfs/dbraw/zinc/09/38/88/569093888.db2.gz NAMKTCBRKKUAQI-OAQYLSRUSA-N 0 0 438.528 2.542 50 0 IFAARN Cc1ccc([C@@H]2NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1 ZINC000169757961 569094091 /nfs/dbraw/zinc/09/40/91/569094091.db2.gz KGJZBVCLRKPYMZ-NRFANRHFSA-N 0 0 439.899 2.885 50 0 IFAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)NCc2ccc(C)cc2)C2=C1C(=O)OC2 ZINC000169758121 569094257 /nfs/dbraw/zinc/09/42/57/569094257.db2.gz WCFBCFICBKNZAZ-QFIPXVFZSA-N 0 0 435.480 2.587 50 0 IFAARN Cc1ccc([C@H]2NC(=O)N(CC(=O)NCc3ccccc3Cl)C3=C2C(=O)OC3)cc1 ZINC000169758078 569094292 /nfs/dbraw/zinc/09/42/92/569094292.db2.gz CVPIVLDNZDSVAP-HXUWFJFHSA-N 0 0 425.872 2.842 50 0 IFAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2)C2=C1C(=O)OC2 ZINC000169758124 569094381 /nfs/dbraw/zinc/09/43/81/569094381.db2.gz DUAKJDOTFHQCKE-HXUWFJFHSA-N 0 0 425.416 2.740 50 0 IFAARN Cn1c(=O)n(CC(=O)Nc2ccc(F)cc2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065057042 569095034 /nfs/dbraw/zinc/09/50/34/569095034.db2.gz STXOGNIKSGUGIP-UHFFFAOYSA-N 0 0 439.834 2.588 50 0 IFAARN CCn1c(=O)n(CC(=O)NCc2ccccc2Cl)c(=O)c2cnc(-c3ccccc3)nc21 ZINC000065057305 569095128 /nfs/dbraw/zinc/09/51/28/569095128.db2.gz ZQALGHDQEUWYPS-UHFFFAOYSA-N 0 0 449.898 2.610 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000065061418 569096421 /nfs/dbraw/zinc/09/64/21/569096421.db2.gz ZNPMGGBTVXPXGN-AWEZNQCLSA-N 0 0 435.546 2.653 50 0 IFAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000036389758 569096543 /nfs/dbraw/zinc/09/65/43/569096543.db2.gz UKKRBWHCJMSXMA-UHFFFAOYSA-N 0 0 446.555 2.716 50 0 IFAARN O=C(CN1C2=C(C(=O)OC2)[C@H](c2ccccc2Cl)NC1=O)NCc1ccc(F)cc1 ZINC000169764770 569096706 /nfs/dbraw/zinc/09/67/06/569096706.db2.gz NZZVFCYIRYXWHQ-IBGZPJMESA-N 0 0 429.835 2.673 50 0 IFAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccccc2OC)C2=C1C(=O)OC2 ZINC000169764798 569096792 /nfs/dbraw/zinc/09/67/92/569096792.db2.gz PUVUUPCSPYGNKH-OAQYLSRUSA-N 0 0 437.452 2.610 50 0 IFAARN CN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000036393162 569098436 /nfs/dbraw/zinc/09/84/36/569098436.db2.gz HENRYFNHCFGHTP-UHFFFAOYSA-N 0 0 428.963 2.624 50 0 IFAARN O=C(NCc1ccnc(N2CCCC2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000036394648 569098644 /nfs/dbraw/zinc/09/86/44/569098644.db2.gz ITSNDZGXCKWRID-GOSISDBHSA-N 0 0 446.548 2.538 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccccc1Br ZINC000065075545 569099672 /nfs/dbraw/zinc/09/96/72/569099672.db2.gz KEUDAZKDCQCEKX-UHFFFAOYSA-N 0 0 431.294 2.717 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1nc(C(=O)N2c3ccccc3C[C@H]2C)ccc1=O ZINC000065076510 569100121 /nfs/dbraw/zinc/10/01/21/569100121.db2.gz RKRUUJNFTINAQN-MRXNPFEDSA-N 0 0 432.480 2.790 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1nc(C(=O)N2c3ccccc3C[C@H]2C)ccc1=O ZINC000065076500 569100133 /nfs/dbraw/zinc/10/01/33/569100133.db2.gz FLLJHQRTMSZMKQ-MRXNPFEDSA-N 0 0 432.480 2.872 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000036398666 569101480 /nfs/dbraw/zinc/10/14/80/569101480.db2.gz ZJZUCGZSXHOZAI-UHFFFAOYSA-N 0 0 427.570 2.737 50 0 IFAARN CC(=O)Nc1cccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c1 ZINC000169775627 569101826 /nfs/dbraw/zinc/10/18/26/569101826.db2.gz ZQDRYMSDNOWHMI-UHFFFAOYSA-N 0 0 433.443 2.691 50 0 IFAARN Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)c1 ZINC000169775803 569101829 /nfs/dbraw/zinc/10/18/29/569101829.db2.gz MEELHMSDHXXSCC-UHFFFAOYSA-N 0 0 430.464 2.939 50 0 IFAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccccc4OC)ccn3n2)c1 ZINC000169777052 569102235 /nfs/dbraw/zinc/10/22/35/569102235.db2.gz SUPBMVZYNRXWCC-UHFFFAOYSA-N 0 0 432.480 2.539 50 0 IFAARN Cc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)nn2)n1 ZINC000169777322 569102933 /nfs/dbraw/zinc/10/29/33/569102933.db2.gz XUWXKJOMWKEMJJ-UHFFFAOYSA-N 0 0 436.394 2.941 50 0 IFAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc(OC)cc2)C2=C1C(=O)OC2 ZINC000169780821 569103112 /nfs/dbraw/zinc/10/31/12/569103112.db2.gz CFTPKLTUOVJJBZ-OAQYLSRUSA-N 0 0 437.452 2.610 50 0 IFAARN COc1cc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccc(C)cc3)NC2=O)cc(OC)c1 ZINC000169780817 569103144 /nfs/dbraw/zinc/10/31/44/569103144.db2.gz RJEUBHBBPCEAKF-NRFANRHFSA-N 0 0 437.452 2.528 50 0 IFAARN CC1CCC(NC(=O)CC2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)CC1 ZINC000065085822 569103252 /nfs/dbraw/zinc/10/32/52/569103252.db2.gz TXBSUQFQAVTNIY-UHFFFAOYSA-N 0 0 449.573 2.617 50 0 IFAARN COc1ccc(CNS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)cc1 ZINC000065098789 569104226 /nfs/dbraw/zinc/10/42/26/569104226.db2.gz JQCRSTXAFBJBGX-UHFFFAOYSA-N 0 0 448.526 2.521 50 0 IFAARN COc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccc(C)cc4F)c(=O)n3c2)cc1 ZINC000065100178 569105373 /nfs/dbraw/zinc/10/53/73/569105373.db2.gz JSMIZMWREUBBOW-UHFFFAOYSA-N 0 0 449.442 2.843 50 0 IFAARN CSc1nc2c(s1)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)N(C)c1ccccc1 ZINC000065100473 569105581 /nfs/dbraw/zinc/10/55/81/569105581.db2.gz WJXLLWGRDNPCNG-UHFFFAOYSA-N 0 0 438.534 2.994 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)N4CCC[C@H](C)C4)c3)nc2)C1 ZINC000169785688 569105597 /nfs/dbraw/zinc/10/55/97/569105597.db2.gz VCBIZFYRTBRZRQ-DLBZAZTESA-N 0 0 431.562 2.560 50 0 IFAARN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000065116578 569107429 /nfs/dbraw/zinc/10/74/29/569107429.db2.gz XWJHOKOWIWKUCV-UHFFFAOYSA-N 0 0 446.554 2.864 50 0 IFAARN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)NCc1ccccc1 ZINC000065116633 569107445 /nfs/dbraw/zinc/10/74/45/569107445.db2.gz IUACMOZUFXBIBX-UHFFFAOYSA-N 0 0 432.527 2.821 50 0 IFAARN CSc1ccc(CCNC(=O)c2nc(CCS(=O)(=O)c3ccccc3)no2)cc1 ZINC000065117267 569107487 /nfs/dbraw/zinc/10/74/87/569107487.db2.gz VOXLGXBBANUDGR-UHFFFAOYSA-N 0 0 431.539 2.780 50 0 IFAARN COc1cccc(CNC(=O)c2nc(CCS(=O)(=O)c3ccc(Cl)cc3)no2)c1 ZINC000065117454 569107636 /nfs/dbraw/zinc/10/76/36/569107636.db2.gz JIBWGEOAPFQDJS-UHFFFAOYSA-N 0 0 435.889 2.678 50 0 IFAARN COc1ccc(S(=O)(=O)CCc2noc(C(=O)NCc3ccccc3Cl)n2)cc1 ZINC000065117601 569107639 /nfs/dbraw/zinc/10/76/39/569107639.db2.gz OWPDXEIVYFMEIP-UHFFFAOYSA-N 0 0 435.889 2.678 50 0 IFAARN CC[C@@H](C)NC(=O)CN1c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2C(C)(C)C1=O ZINC000169793918 569108308 /nfs/dbraw/zinc/10/83/08/569108308.db2.gz FDSIVJPXFQMOPH-HZPDHXFCSA-N 0 0 435.590 2.646 50 0 IFAARN COc1ccc(CC(=O)N2CCN(c3ncccc3-c3nnc(C)o3)CC2)c(Cl)c1 ZINC000065117807 569108773 /nfs/dbraw/zinc/10/87/73/569108773.db2.gz QTPIZICFJNLLGB-UHFFFAOYSA-N 0 0 427.892 2.993 50 0 IFAARN Cc1cccc(Cn2nc3c(S(=O)(=O)N4CCc5ccccc5C4)cccn3c2=O)c1 ZINC000065129281 569108800 /nfs/dbraw/zinc/10/88/00/569108800.db2.gz XNPZYHHKIDSATP-UHFFFAOYSA-N 0 0 434.521 2.600 50 0 IFAARN CCN1CCN(Cc2ccc(C(=O)NCc3ccccc3C(F)(F)F)cc2)C(=O)C1=O ZINC000065130492 569109191 /nfs/dbraw/zinc/10/91/91/569109191.db2.gz OLWZWGHOPHGHTI-UHFFFAOYSA-N 0 0 433.430 2.826 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)NCc3cccnc3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137362 569110363 /nfs/dbraw/zinc/11/03/63/569110363.db2.gz LSBZPRMTADJTKZ-UHFFFAOYSA-N 0 0 445.570 2.567 50 0 IFAARN CC(C)c1noc(-c2cccc(=O)n2CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000065150272 569111018 /nfs/dbraw/zinc/11/10/18/569111018.db2.gz YFDKZQCJKUCKSP-UHFFFAOYSA-N 0 0 425.464 2.510 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)Cn1nc2c(N3CCCCCC3)nccn2c1=O ZINC000065151559 569111376 /nfs/dbraw/zinc/11/13/76/569111376.db2.gz DWXSBPSSUIOOMS-UHFFFAOYSA-N 0 0 430.896 2.572 50 0 IFAARN CCCn1cc(C(=O)NCc2ccc(F)cc2F)c(S(=O)(=O)N2CCC(C)CC2)n1 ZINC000065152363 569111944 /nfs/dbraw/zinc/11/19/44/569111944.db2.gz QBIKBTFXZPUKRU-UHFFFAOYSA-N 0 0 440.516 2.922 50 0 IFAARN CCOc1ccc(CNC(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2N)cc1 ZINC000065154704 569112287 /nfs/dbraw/zinc/11/22/87/569112287.db2.gz NGEIDESTDMFDMM-UHFFFAOYSA-N 0 0 432.528 2.714 50 0 IFAARN COc1ccc(NC(=O)Cn2c(C)nc3c(-c4ccncc4)nsc3c2=O)cc1OC ZINC000065171015 569112832 /nfs/dbraw/zinc/11/28/32/569112832.db2.gz NDZJIIXKYGKQTO-UHFFFAOYSA-N 0 0 437.481 2.879 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)[C@@H]1C ZINC000036476312 569113107 /nfs/dbraw/zinc/11/31/07/569113107.db2.gz PULUHJFNAOMXCH-NUJGCVRESA-N 0 0 427.998 2.587 50 0 IFAARN CCCc1noc(CN2N=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(C)cc32)n1 ZINC000065183339 569113859 /nfs/dbraw/zinc/11/38/59/569113859.db2.gz RHJDAKVTDDFRDG-UHFFFAOYSA-N 0 0 445.545 2.696 50 0 IFAARN O=C(Cn1c2csnc2c(=O)n(Cc2ccccc2)c1=O)Nc1c(F)cccc1F ZINC000065184886 569114051 /nfs/dbraw/zinc/11/40/51/569114051.db2.gz QSCFDWHRTZEAFT-UHFFFAOYSA-N 0 0 428.420 2.585 50 0 IFAARN CCOc1cc(=O)c(C(=O)N2CCN(c3ccccc3)CC2)nn1-c1ccc(OC)cc1 ZINC000065198370 569114940 /nfs/dbraw/zinc/11/49/40/569114940.db2.gz OPLIHSLPHYIFGE-UHFFFAOYSA-N 0 0 434.496 2.602 50 0 IFAARN CCOc1cc(=O)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)nn1-c1ccc(C)cc1 ZINC000065198101 569114996 /nfs/dbraw/zinc/11/49/96/569114996.db2.gz WMWWNXOFWVPAMQ-UHFFFAOYSA-N 0 0 427.482 2.595 50 0 IFAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1 ZINC000065200686 569115190 /nfs/dbraw/zinc/11/51/90/569115190.db2.gz JQTJENWMZXCNRI-UHFFFAOYSA-N 0 0 440.491 2.957 50 0 IFAARN COc1ccc(NC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccccc3)c2=O)cc1F ZINC000065212453 569116739 /nfs/dbraw/zinc/11/67/39/569116739.db2.gz MWJAAYQNZHQVHW-UHFFFAOYSA-N 0 0 445.472 2.744 50 0 IFAARN COc1ccc(NC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccccc3)c2=O)cc1 ZINC000065212427 569116791 /nfs/dbraw/zinc/11/67/91/569116791.db2.gz NCWVTGFOXVIJQI-UHFFFAOYSA-N 0 0 427.482 2.605 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)Nc3ccccc3)c2=O)cc1 ZINC000065212647 569116879 /nfs/dbraw/zinc/11/68/79/569116879.db2.gz LKEQRDVROPOCSZ-UHFFFAOYSA-N 0 0 427.482 2.605 50 0 IFAARN O=C1NCCCn2nc(C3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)cc21 ZINC000065225892 569117865 /nfs/dbraw/zinc/11/78/65/569117865.db2.gz PNNSHODQPKWJOW-UHFFFAOYSA-N 0 0 442.463 2.604 50 0 IFAARN CCOC(=O)Cn1c(=O)n(C2CCCCC2)c2nc(-c3cccc(F)c3)nc(C(N)=O)c21 ZINC000008610397 569118480 /nfs/dbraw/zinc/11/84/80/569118480.db2.gz BPUYDXWBZBPDBY-UHFFFAOYSA-N 0 0 441.463 2.566 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1OC)C(=O)OC ZINC000036597203 569118725 /nfs/dbraw/zinc/11/87/25/569118725.db2.gz IMHMHQBFJNVXRB-IXDGSTSKSA-N 0 0 430.505 2.672 50 0 IFAARN COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3C)cc(OC)c1OC ZINC000065233206 569119130 /nfs/dbraw/zinc/11/91/30/569119130.db2.gz KRQIYNRZMPHHLE-UHFFFAOYSA-N 0 0 425.485 2.525 50 0 IFAARN Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCSCC5)n4)ccn3n2)c(C)c1 ZINC000065235883 569119420 /nfs/dbraw/zinc/11/94/20/569119420.db2.gz AQLCYICEKWBIPF-UHFFFAOYSA-N 0 0 436.541 2.760 50 0 IFAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2cc(N3CCSCC3)ncn2)CC1 ZINC000065237075 569119578 /nfs/dbraw/zinc/11/95/78/569119578.db2.gz JHBDRCFDWLOUKT-UHFFFAOYSA-N 0 0 427.530 2.614 50 0 IFAARN CC1CCN(c2cc(-n3cnc(C(=O)N4CCN(c5ccccc5)CC4)c3)ncn2)CC1 ZINC000065239817 569120793 /nfs/dbraw/zinc/12/07/93/569120793.db2.gz FJIIINAAAPOIPA-UHFFFAOYSA-N 0 0 431.544 2.861 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1OC ZINC000036589889 569121112 /nfs/dbraw/zinc/12/11/12/569121112.db2.gz JUTSJPMJJCXQLC-DENIHFKCSA-N 0 0 434.496 2.860 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nnc(C(C)C)o4)co3)CC2)c1 ZINC000065246590 569121829 /nfs/dbraw/zinc/12/18/29/569121829.db2.gz HFDHLZBHVXIQDA-UHFFFAOYSA-N 0 0 432.502 2.973 50 0 IFAARN CCCNc1cc(N2CCC[C@H](CCC(=O)N3CCN(C(=O)OCC)CC3)C2)ncn1 ZINC000065242400 569122023 /nfs/dbraw/zinc/12/20/23/569122023.db2.gz CUVUPJGBZQDAFY-GOSISDBHSA-N 0 0 432.569 2.596 50 0 IFAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3F)CC2)cc1 ZINC000036614599 569122265 /nfs/dbraw/zinc/12/22/65/569122265.db2.gz IPKACLCSRXNVOH-UHFFFAOYSA-N 0 0 435.496 2.598 50 0 IFAARN Cc1noc(-c2ccnc(-n3ncc(C(=O)N4CCN(c5ccccc5)CC4)c3C)c2)n1 ZINC000065251244 569122271 /nfs/dbraw/zinc/12/22/71/569122271.db2.gz UTRLDUWHIUEVME-UHFFFAOYSA-N 0 0 429.484 2.897 50 0 IFAARN CCn1ncc(Br)c1CN(C)S(=O)(=O)c1c(C)nn(C(F)F)c1C ZINC000036615013 569122402 /nfs/dbraw/zinc/12/24/02/569122402.db2.gz SIMUXSCDVQRHCD-UHFFFAOYSA-N 0 0 426.287 2.695 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)Nc4ccccc4)c3)nc2)C1 ZINC000065254310 569122486 /nfs/dbraw/zinc/12/24/86/569122486.db2.gz RERQOENKDTUECN-INIZCTEOSA-N 0 0 425.514 2.940 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)NC4CCCCC4)c3)nc2)C1 ZINC000065254333 569122506 /nfs/dbraw/zinc/12/25/06/569122506.db2.gz GMIGJEXBNMDOTP-MRXNPFEDSA-N 0 0 431.562 2.750 50 0 IFAARN CCc1ccccc1NC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1 ZINC000065254281 569122513 /nfs/dbraw/zinc/12/25/13/569122513.db2.gz CMIRTLCSYGOORZ-UHFFFAOYSA-N 0 0 425.514 2.867 50 0 IFAARN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(Cc3ccco3)CC2)c2c(C)nn(C)c2n1 ZINC000036612075 569123560 /nfs/dbraw/zinc/12/35/60/569123560.db2.gz KVRQWZHQBRWXKP-UHFFFAOYSA-N 0 0 447.543 2.845 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4cccnc4)CC3)c3cnn(C)c3n2)cc1 ZINC000036613383 569123856 /nfs/dbraw/zinc/12/38/56/569123856.db2.gz HZNIPLGVAWLRSA-UHFFFAOYSA-N 0 0 442.523 2.997 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc4n(c3)CCCN(C(C)C)C4=O)CC2)c1 ZINC000065258826 569124710 /nfs/dbraw/zinc/12/47/10/569124710.db2.gz FBUIYSZDONRYDE-UHFFFAOYSA-N 0 0 430.574 2.562 50 0 IFAARN COc1cc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)ccc1OC(F)F ZINC000013129627 569125354 /nfs/dbraw/zinc/12/53/54/569125354.db2.gz NRMSEKYUNKISHP-UHFFFAOYSA-N 0 0 440.424 2.741 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(Cc3ccccc3)C1=O)CC2 ZINC000524730895 569126162 /nfs/dbraw/zinc/12/61/62/569126162.db2.gz BFGXXNHYDGQUSX-OALUTQOASA-N 0 0 437.496 2.708 50 0 IFAARN COC(=O)c1ccc(C)c(NC(=O)CCn2c3nn(C)cc3c(C(F)(F)F)cc2=O)c1 ZINC000036621449 569126188 /nfs/dbraw/zinc/12/61/88/569126188.db2.gz GRYPDJYHNAFKPX-UHFFFAOYSA-N 0 0 436.390 2.878 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)C[C@@H](c1ccsc1)n1cccc1)[C@H](C(N)=O)C2 ZINC000524731575 569126606 /nfs/dbraw/zinc/12/66/06/569126606.db2.gz CLTIPNWMUFLWQO-OALUTQOASA-N 0 0 439.537 2.985 50 0 IFAARN COc1cc([C@@H](CC(=O)NCc2c(C)n[nH]c2C)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731857 569126654 /nfs/dbraw/zinc/12/66/54/569126654.db2.gz MRPSRXXOWHFRLY-OAHLLOKOSA-N 0 0 427.457 2.546 50 0 IFAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)Nc1cccc(OCCN2CCOCC2)c1 ZINC000524732010 569126691 /nfs/dbraw/zinc/12/66/91/569126691.db2.gz SWSCLNMTRYIHOC-UHFFFAOYSA-N 0 0 438.480 2.699 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](NC(=O)Cn1ccc3c1cccc3NS(C)(=O)=O)CC2 ZINC000524732420 569126788 /nfs/dbraw/zinc/12/67/88/569126788.db2.gz BJCAJOFFEYYRAR-KRWDZBQOSA-N 0 0 443.525 2.834 50 0 IFAARN CSCC[C@H](NC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000524733352 569127114 /nfs/dbraw/zinc/12/71/14/569127114.db2.gz KBMCFAGJLBDFCH-SFHVURJKSA-N 0 0 437.525 2.979 50 0 IFAARN C=C1C(N2CCC(NC(=O)NCCCOC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065271804 569128620 /nfs/dbraw/zinc/12/86/20/569128620.db2.gz ZMGVZHLXRIJUJM-UHFFFAOYSA-N 0 0 448.589 2.576 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272737 569129026 /nfs/dbraw/zinc/12/90/26/569129026.db2.gz POOYVKANDNWGFT-AWEZNQCLSA-N 0 0 428.510 2.735 50 0 IFAARN CC1CCN(C(=O)c2cc3c(s2)CC[C@H](C(=O)NCCCN2CCOCC2)C3)CC1 ZINC000065272612 569129096 /nfs/dbraw/zinc/12/90/96/569129096.db2.gz ZWAIFACWKNHSNJ-SFHVURJKSA-N 0 0 433.618 2.564 50 0 IFAARN O=C(NCCCN1CCOCC1)[C@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273124 569129213 /nfs/dbraw/zinc/12/92/13/569129213.db2.gz NZZCJDIDSFPFNW-SFHVURJKSA-N 0 0 433.618 2.708 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c1 ZINC000065272800 569129273 /nfs/dbraw/zinc/12/92/73/569129273.db2.gz UFYJVNQMHFMPAL-OAHLLOKOSA-N 0 0 444.553 2.659 50 0 IFAARN CCOc1cccc(CNC(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)c1 ZINC000065273440 569129451 /nfs/dbraw/zinc/12/94/51/569129451.db2.gz IUELTBYACGMYMF-GOSISDBHSA-N 0 0 442.585 2.632 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2cc(F)ccc2F)CC3)CC1 ZINC000065273580 569129699 /nfs/dbraw/zinc/12/96/99/569129699.db2.gz MWQIVBXBHGJVNC-CQSZACIVSA-N 0 0 448.539 2.901 50 0 IFAARN Cc1ccc(CNC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)o1 ZINC000065273648 569129926 /nfs/dbraw/zinc/12/99/26/569129926.db2.gz MHDGBARXRCRLEN-MRXNPFEDSA-N 0 0 430.574 2.770 50 0 IFAARN OCCN1CCN(c2nc3c(cnn3-c3ccc(Cl)cc3)c(N3CCCCC3)n2)CC1 ZINC000036656938 569130226 /nfs/dbraw/zinc/13/02/26/569130226.db2.gz AFHWPVIQSITAOV-UHFFFAOYSA-N 0 0 441.967 2.574 50 0 IFAARN CC[C@]1(N2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)CCN(C(=O)C(C)C)C1 ZINC000065292031 569130522 /nfs/dbraw/zinc/13/05/22/569130522.db2.gz NHWSXUPRIKSIKY-QHCPKHFHSA-N 0 0 444.601 2.578 50 0 IFAARN CC[C@]1(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCN(C(=O)C(C)C)C1 ZINC000065292021 569130612 /nfs/dbraw/zinc/13/06/12/569130612.db2.gz KSJQYUVOTIRUSZ-SFHVURJKSA-N 0 0 434.027 2.745 50 0 IFAARN COc1cccc(C(=O)N2CCCN([C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000065293271 569130822 /nfs/dbraw/zinc/13/08/22/569130822.db2.gz VUJMGNIFRQLUTQ-JOCHJYFZSA-N 0 0 425.504 2.783 50 0 IFAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1)Nc1ccccc1F ZINC000065295370 569131353 /nfs/dbraw/zinc/13/13/53/569131353.db2.gz QMPLMVCWRJMRAU-UHFFFAOYSA-N 0 0 431.475 2.931 50 0 IFAARN Cc1cc(F)ccc1NC(=O)Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1 ZINC000065295789 569131427 /nfs/dbraw/zinc/13/14/27/569131427.db2.gz LKKMZNYDILCETO-UHFFFAOYSA-N 0 0 446.490 2.634 50 0 IFAARN COc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3ccccn3)c3ccccc32)cc1 ZINC000065304939 569132946 /nfs/dbraw/zinc/13/29/46/569132946.db2.gz PWXWWGHQYLTFTQ-UHFFFAOYSA-N 0 0 445.479 2.792 50 0 IFAARN Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)NCc1ccccn1 ZINC000065305105 569132948 /nfs/dbraw/zinc/13/29/48/569132948.db2.gz DUIGNKIBSATIHW-UHFFFAOYSA-N 0 0 441.513 2.545 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccc(C)c(F)c3)c(=O)n2c2ccsc2c1=O ZINC000065305323 569133121 /nfs/dbraw/zinc/13/31/21/569133121.db2.gz SDSMXLVREFEHLC-UHFFFAOYSA-N 0 0 429.477 2.759 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3cccc(C)c3C)c(=O)n2c2ccsc2c1=O ZINC000065305357 569133147 /nfs/dbraw/zinc/13/31/47/569133147.db2.gz RBIHBRGYNMPLJZ-UHFFFAOYSA-N 0 0 425.514 2.928 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccc(C)cc3C)c(=O)n2c2ccsc2c1=O ZINC000065305361 569133169 /nfs/dbraw/zinc/13/31/69/569133169.db2.gz WGPCJZCCSJVMID-UHFFFAOYSA-N 0 0 425.514 2.928 50 0 IFAARN CCc1ccccc1NC(=O)Cn1nc2n(c3ccsc3c(=O)n2Cc2ccco2)c1=O ZINC000065305513 569133334 /nfs/dbraw/zinc/13/33/34/569133334.db2.gz LVMLOVXWROCHIJ-UHFFFAOYSA-N 0 0 449.492 2.715 50 0 IFAARN COc1ccc(CNC(=O)CN2c3ccc(Cl)cc3C(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000065306885 569133503 /nfs/dbraw/zinc/13/35/03/569133503.db2.gz FDQBGDUEQFEQOG-LJQANCHMSA-N 0 0 427.888 2.616 50 0 IFAARN CCCc1cc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)nc2nncn21 ZINC000065312073 569133639 /nfs/dbraw/zinc/13/36/39/569133639.db2.gz HXKDGKVLFYQDAB-UHFFFAOYSA-N 0 0 443.349 2.731 50 0 IFAARN CCCc1cc(N2CCN(C(=O)Cc3ccc(OC)cc3Cl)CC2)nc2nncn21 ZINC000065312103 569133680 /nfs/dbraw/zinc/13/36/80/569133680.db2.gz QATGOPFBLXFVMO-UHFFFAOYSA-N 0 0 428.924 2.630 50 0 IFAARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311508 569133737 /nfs/dbraw/zinc/13/37/37/569133737.db2.gz XACLAZTVCXDIBW-KRWDZBQOSA-N 0 0 448.571 2.736 50 0 IFAARN COc1cccc(CNC(=O)C2CCN(c3cnn(Cc4ccccc4)c(=O)c3)CC2)c1 ZINC000065311488 569133787 /nfs/dbraw/zinc/13/37/87/569133787.db2.gz LHVYSLKAGHMJRA-UHFFFAOYSA-N 0 0 432.524 2.833 50 0 IFAARN COc1ccc(-n2ncc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c2C(F)(F)F)nn1 ZINC000036694623 569133842 /nfs/dbraw/zinc/13/38/42/569133842.db2.gz CILCLQAXFILJCB-SECBINFHSA-N 0 0 448.361 2.661 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(-c2noc(C(=O)NCCc3ccc(Cl)cc3)n2)cc1 ZINC000065319262 569134798 /nfs/dbraw/zinc/13/47/98/569134798.db2.gz PYMIOFZDINNAJM-UHFFFAOYSA-N 0 0 434.905 2.613 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nnc4c(Cl)cccn43)C2)cc1OC ZINC000065312723 569135008 /nfs/dbraw/zinc/13/50/08/569135008.db2.gz JIRPPMTVLGWAMY-HNNXBMFYSA-N 0 0 429.908 2.933 50 0 IFAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)c1 ZINC000065314072 569135518 /nfs/dbraw/zinc/13/55/18/569135518.db2.gz ACPKTPZXDDQYTJ-NRFANRHFSA-N 0 0 432.524 2.833 50 0 IFAARN COc1cccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C)c1 ZINC000065319793 569135910 /nfs/dbraw/zinc/13/59/10/569135910.db2.gz NYRMBVUCZIPRGS-UHFFFAOYSA-N 0 0 431.543 2.730 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCN1Cc2cc(Cl)ccc2OCC1=O ZINC000238862346 569137749 /nfs/dbraw/zinc/13/77/49/569137749.db2.gz KYOVHHVQZVADOF-MRXNPFEDSA-N 0 0 437.924 2.577 50 0 IFAARN O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000065500774 569138798 /nfs/dbraw/zinc/13/87/98/569138798.db2.gz WBNWVUHYFDJTFT-HXUWFJFHSA-N 0 0 438.505 2.957 50 0 IFAARN CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000065565229 569139389 /nfs/dbraw/zinc/13/93/89/569139389.db2.gz ZZGJGFZEFILJTC-GFCCVEGCSA-N 0 0 428.910 2.872 50 0 IFAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2)CC1 ZINC000037203894 569140907 /nfs/dbraw/zinc/14/09/07/569140907.db2.gz QZTSGQIZWGVHGY-UHFFFAOYSA-N 0 0 442.368 2.860 50 0 IFAARN CCOC(=O)[C@]1(O)[C@H](C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=S)N1C ZINC000037224385 569140975 /nfs/dbraw/zinc/14/09/75/569140975.db2.gz IOSAZKOERPLFJJ-XGHQBKJUSA-N 0 0 432.929 2.952 50 0 IFAARN C[C@H](O)CC(C)(C)CNS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000170591780 569141054 /nfs/dbraw/zinc/14/10/54/569141054.db2.gz UNSABAWDEYVIBX-KRWDZBQOSA-N 0 0 426.579 2.752 50 0 IFAARN O=C(CSCc1cccnc1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000170593273 569141122 /nfs/dbraw/zinc/14/11/22/569141122.db2.gz AYSJWCGCEXPPNV-LJQANCHMSA-N 0 0 431.583 2.698 50 0 IFAARN COC(=O)[C@H](c1c(F)cccc1Cl)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000170594151 569141415 /nfs/dbraw/zinc/14/14/15/569141415.db2.gz RTXKBEWYXOBFMZ-BEFAXECRSA-N 0 0 425.932 2.712 50 0 IFAARN CC[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000170595563 569141550 /nfs/dbraw/zinc/14/15/50/569141550.db2.gz BSWDYLNYWCIHLZ-HXOBKFHXSA-N 0 0 427.501 2.622 50 0 IFAARN COC(=O)[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)c1c(C)cccc1C ZINC000170597946 569142237 /nfs/dbraw/zinc/14/22/37/569142237.db2.gz VIIVKNIDQOJBOT-FQEVSTJZSA-N 0 0 448.541 2.643 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)C(F)(F)F)CC2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000170599762 569142587 /nfs/dbraw/zinc/14/25/87/569142587.db2.gz YEFDQJWHASGIGF-INIZCTEOSA-N 0 0 443.422 2.603 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)C(F)(F)F)CC2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000170599761 569142616 /nfs/dbraw/zinc/14/26/16/569142616.db2.gz YEFDQJWHASGIGF-MRXNPFEDSA-N 0 0 443.422 2.603 50 0 IFAARN CCCCOc1ccc(C(=O)NCC(=O)NCc2ncn(Cc3cccc(F)c3)n2)cc1 ZINC000170602402 569143264 /nfs/dbraw/zinc/14/32/64/569143264.db2.gz LHYYROWXMNZALR-UHFFFAOYSA-N 0 0 439.491 2.691 50 0 IFAARN Cc1ccc(CNC(=O)c2nnc(CN[C@H]3CCCC[C@H]3N3CCOCC3)s2)cc1 ZINC000170607323 569144145 /nfs/dbraw/zinc/14/41/45/569144145.db2.gz CANHCYARAAUXHR-RBUKOAKNSA-N 0 0 429.590 2.510 50 0 IFAARN O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 ZINC000170608909 569144928 /nfs/dbraw/zinc/14/49/28/569144928.db2.gz GLTQYFIHGKLPEM-UHFFFAOYSA-N 0 0 428.514 2.592 50 0 IFAARN O=C(CC1(O)CCCC1)Nc1cnn(C[C@@H]2CCCCN2C(=O)CC2(O)CCCC2)c1 ZINC000170611345 569145225 /nfs/dbraw/zinc/14/52/25/569145225.db2.gz SXNOMWQITACSOJ-IBGZPJMESA-N 0 0 432.565 2.593 50 0 IFAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000170611526 569145249 /nfs/dbraw/zinc/14/52/49/569145249.db2.gz GJQWOFWQNXMFMM-NSHGMRRFSA-N 0 0 427.545 2.692 50 0 IFAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(C)=O)CC2)cc1OC ZINC000037276445 569145388 /nfs/dbraw/zinc/14/53/88/569145388.db2.gz PCAJCGSRNLEBQU-UHFFFAOYSA-N 0 0 425.529 2.781 50 0 IFAARN C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CCS1(=O)=O ZINC000170613668 569146105 /nfs/dbraw/zinc/14/61/05/569146105.db2.gz NJOMUQDFNVPSNP-CQSZACIVSA-N 0 0 446.491 2.593 50 0 IFAARN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N[C@@H]2Cc3cccc(O)c3C2)c(C)c1C ZINC000170613624 569146267 /nfs/dbraw/zinc/14/62/67/569146267.db2.gz YEXWTKRTWFCJOU-LJQANCHMSA-N 0 0 430.570 2.886 50 0 IFAARN O=C(Cn1c2ccccc2c2nnnn2c1=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000170614802 569146518 /nfs/dbraw/zinc/14/65/18/569146518.db2.gz GRYPXNDREGNJRI-JOCHJYFZSA-N 0 0 449.474 2.817 50 0 IFAARN COCCS(=O)(=O)Nc1c(Br)cc(Br)c(C(=O)OC)c1C ZINC000170617382 569147155 /nfs/dbraw/zinc/14/71/55/569147155.db2.gz LCYHKYYUXXHICF-UHFFFAOYSA-N 0 0 445.129 2.695 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1OC ZINC000170625581 569148529 /nfs/dbraw/zinc/14/85/29/569148529.db2.gz IHACQMFLMVUFHN-SFHVURJKSA-N 0 0 436.468 2.677 50 0 IFAARN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000170629076 569148869 /nfs/dbraw/zinc/14/88/69/569148869.db2.gz OXPLPESWJYPFFV-DOMZBBRYSA-N 0 0 435.224 2.996 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OS(=O)(=O)c1ccccc1 ZINC000009761581 569149095 /nfs/dbraw/zinc/14/90/95/569149095.db2.gz PIYQTKJSJUIWJZ-UHFFFAOYSA-N 0 0 434.857 2.830 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1ccc(C)cc1 ZINC000009761587 569149119 /nfs/dbraw/zinc/14/91/19/569149119.db2.gz VFTNIHJEIXGXJE-UHFFFAOYSA-N 0 0 428.466 2.794 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCCSc2ccccc21 ZINC000009882806 569149771 /nfs/dbraw/zinc/14/97/71/569149771.db2.gz BJUANAGLCHUPRO-UHFFFAOYSA-N 0 0 438.596 2.841 50 0 IFAARN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000009883491 569150007 /nfs/dbraw/zinc/15/00/07/569150007.db2.gz RBCNDVHUUKHLME-UHFFFAOYSA-N 0 0 449.481 2.739 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)c1 ZINC000009884053 569150246 /nfs/dbraw/zinc/15/02/46/569150246.db2.gz HIWUJVXTRNKNJZ-UHFFFAOYSA-N 0 0 426.450 2.502 50 0 IFAARN CC(C)c1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000009910761 569150577 /nfs/dbraw/zinc/15/05/77/569150577.db2.gz RXFXTJXIARCRRO-ZDUSSCGKSA-N 0 0 446.558 2.552 50 0 IFAARN COc1cc(OC)c([C@H]2CC(=O)Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000071283095 569150611 /nfs/dbraw/zinc/15/06/11/569150611.db2.gz KIUVYIQACJUHDL-GXTWGEPZSA-N 0 0 435.502 2.701 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)c1ccc2c(c1)CCCC2 ZINC000009909165 569150636 /nfs/dbraw/zinc/15/06/36/569150636.db2.gz DFFNQWBMLTVKLK-ODCWNRFASA-N 0 0 449.507 2.939 50 0 IFAARN CCOC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(CO)cc(=O)c1O ZINC000071286559 569150897 /nfs/dbraw/zinc/15/08/97/569150897.db2.gz BAVBYJCEHPMIPK-INIZCTEOSA-N 0 0 442.420 2.969 50 0 IFAARN COC(=O)c1ccc([C@@H]2NC(=O)N(CCC(C)C)C(C)=C2C(=O)N2CCOCC2)cc1 ZINC000010027036 569151675 /nfs/dbraw/zinc/15/16/75/569151675.db2.gz UOXMQLDWHRQEFL-FQEVSTJZSA-N 0 0 429.517 2.718 50 0 IFAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccc4c(c2)OCO4)CSC3)cc1 ZINC000010220912 569153042 /nfs/dbraw/zinc/15/30/42/569153042.db2.gz HDSBXBGADMSNNH-UHFFFAOYSA-N 0 0 436.493 2.911 50 0 IFAARN Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCc1ccc3c(c1)OCO3)CSC2 ZINC000010220916 569153050 /nfs/dbraw/zinc/15/30/50/569153050.db2.gz UNECVNSDJSWLNI-UHFFFAOYSA-N 0 0 436.493 2.911 50 0 IFAARN O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)NCc1ccc(F)cc1 ZINC000010255480 569154080 /nfs/dbraw/zinc/15/40/80/569154080.db2.gz ZCMQQJSARVRJPY-KRWDZBQOSA-N 0 0 431.533 2.849 50 0 IFAARN O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCCC2)N1CCc2ccccc21 ZINC000010255501 569154115 /nfs/dbraw/zinc/15/41/15/569154115.db2.gz PCQGDJPXQPJREO-QGZVFWFLSA-N 0 0 425.554 2.983 50 0 IFAARN COc1cn(CC(=O)NCCc2ccccc2)c(CSc2nnc(C)s2)cc1=O ZINC000010254777 569154190 /nfs/dbraw/zinc/15/41/90/569154190.db2.gz QHCJBDKZYWQKBH-UHFFFAOYSA-N 0 0 430.555 2.668 50 0 IFAARN COc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1nnc(C)s1 ZINC000010254811 569154302 /nfs/dbraw/zinc/15/43/02/569154302.db2.gz IYQXBKVXDHNSPI-UHFFFAOYSA-N 0 0 432.527 2.956 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000010460792 569154779 /nfs/dbraw/zinc/15/47/79/569154779.db2.gz YEWKWFKWOODEFV-UHFFFAOYSA-N 0 0 448.317 2.714 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000013282811 569154788 /nfs/dbraw/zinc/15/47/88/569154788.db2.gz AJWFRQVMEXGNTC-JAORQVBISA-N 0 0 433.533 2.927 50 0 IFAARN COc1ccc(O[C@H](C)C(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc1 ZINC000013705729 569156677 /nfs/dbraw/zinc/15/66/77/569156677.db2.gz HFMDSHKZGOIZOU-MRXNPFEDSA-N 0 0 433.468 2.762 50 0 IFAARN O=C([C@@H]1Cc2ccccc2S1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000014047885 569157638 /nfs/dbraw/zinc/15/76/38/569157638.db2.gz XUTXLEREBKEIDS-AWEZNQCLSA-N 0 0 428.988 2.951 50 0 IFAARN COc1cc(CC(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)cc(OC)c1OC ZINC000014121650 569157792 /nfs/dbraw/zinc/15/77/92/569157792.db2.gz ZEZICMUMNLWHRX-OKILXGFUSA-N 0 0 435.546 2.959 50 0 IFAARN Cc1nc(CN2CCN(C(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)CC2)cs1 ZINC000014380735 569158862 /nfs/dbraw/zinc/15/88/62/569158862.db2.gz BYTTZXZCOWATER-UHFFFAOYSA-N 0 0 430.549 2.787 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1I ZINC000014429749 569159108 /nfs/dbraw/zinc/15/91/08/569159108.db2.gz CUQKJLNRPOQWPH-VXGBXAGGSA-N 0 0 426.254 2.795 50 0 IFAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nn1cnc2ccccc2c1=O ZINC000014604667 569159489 /nfs/dbraw/zinc/15/94/89/569159489.db2.gz HOUPECAMOFDALW-UHFFFAOYSA-N 0 0 426.432 2.696 50 0 IFAARN Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000089632342 569160298 /nfs/dbraw/zinc/16/02/98/569160298.db2.gz CHHFBXIZFPGDQJ-UHFFFAOYSA-N 0 0 437.565 2.771 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1ccccc1Br ZINC000089643169 569160426 /nfs/dbraw/zinc/16/04/26/569160426.db2.gz CFLXRFJFAPNUFW-UHFFFAOYSA-N 0 0 440.315 2.998 50 0 IFAARN Cc1cccc(NC(=O)CSCC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1 ZINC000089672799 569161162 /nfs/dbraw/zinc/16/11/62/569161162.db2.gz SAYZTILPRFANKF-PGRDOPGGSA-N 0 0 429.517 2.894 50 0 IFAARN NC(=O)[C@H](NC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1)c1cccc(Br)c1 ZINC000089774391 569162553 /nfs/dbraw/zinc/16/25/53/569162553.db2.gz NZKDUMVMICTASF-SMDDNHRTSA-N 0 0 442.722 3.000 50 0 IFAARN CC(C)C(=O)N1CCN(C(=O)c2cn(C(C)C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000016839028 569162888 /nfs/dbraw/zinc/16/28/88/569162888.db2.gz UNGXODFCHFIVIO-UHFFFAOYSA-N 0 0 435.528 2.660 50 0 IFAARN O=C(CSc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn21)NCc1ccc(F)cc1 ZINC000016841871 569163381 /nfs/dbraw/zinc/16/33/81/569163381.db2.gz BPIVRIDVSMVDQV-UHFFFAOYSA-N 0 0 427.436 2.771 50 0 IFAARN CCOc1ccccc1-n1nnc2c1ncn(Cc1nc(-c3cccc(C)c3)no1)c2=O ZINC000016843380 569163588 /nfs/dbraw/zinc/16/35/88/569163588.db2.gz ODJRCFBSTZQZGM-UHFFFAOYSA-N 0 0 429.440 2.783 50 0 IFAARN O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)N1CCN(Cc2cccnc2)CC1 ZINC000089794014 569164032 /nfs/dbraw/zinc/16/40/32/569164032.db2.gz URDOWNLOFGYSBT-UHFFFAOYSA-N 0 0 448.571 2.718 50 0 IFAARN Cn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccc(=O)n(C)c1 ZINC000016849509 569164552 /nfs/dbraw/zinc/16/45/52/569164552.db2.gz NFCBXYVJNAPXQC-UHFFFAOYSA-N 0 0 439.419 2.810 50 0 IFAARN Cc1cccc(C(=O)NCCN2CCn3cc(OCc4ccc(F)cc4)c(=O)cc3C2=O)c1 ZINC000016850564 569164716 /nfs/dbraw/zinc/16/47/16/569164716.db2.gz AUKKXVVJBLKPQF-UHFFFAOYSA-N 0 0 449.482 2.761 50 0 IFAARN O=C(NCC1([C@H](O)c2ccccc2)CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000089825927 569165254 /nfs/dbraw/zinc/16/52/54/569165254.db2.gz HPAOSJQSWJRRTP-LEWJYISDSA-N 0 0 428.554 2.860 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)N1CCCCC1 ZINC000089861188 569166185 /nfs/dbraw/zinc/16/61/85/569166185.db2.gz RMVSFPCVNUYDLP-UHFFFAOYSA-N 0 0 442.537 2.603 50 0 IFAARN COCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccc2c(c1)OCCO2 ZINC000016942987 569166823 /nfs/dbraw/zinc/16/68/23/569166823.db2.gz QWMQBAQEKJPMEA-DQRAZIAOSA-N 0 0 430.482 2.879 50 0 IFAARN C[C@@H]1CN(c2ccc(NC(=O)NCC3(O)CCC4(CC3)OCCO4)cc2F)C[C@@H](C)O1 ZINC000089936827 569168240 /nfs/dbraw/zinc/16/82/40/569168240.db2.gz RWYSAJYCZPSACQ-HZPDHXFCSA-N 0 0 437.512 2.609 50 0 IFAARN C[C@@H](O)CN1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@@H]1C ZINC000089939154 569168284 /nfs/dbraw/zinc/16/82/84/569168284.db2.gz KMMNOWGASBKASI-UONOGXRCSA-N 0 0 448.917 2.884 50 0 IFAARN COc1ccccc1NC(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O ZINC000016973742 569168684 /nfs/dbraw/zinc/16/86/84/569168684.db2.gz APWFTGCHUCIKAX-UHFFFAOYSA-N 0 0 438.484 2.693 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cnc(Cl)cc1Cl ZINC000089960984 569169133 /nfs/dbraw/zinc/16/91/33/569169133.db2.gz SMBQKRSZZNLTJY-UHFFFAOYSA-N 0 0 446.312 2.809 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2ccc3ccc(OC)cc3c2=O)c1 ZINC000089969084 569169435 /nfs/dbraw/zinc/16/94/35/569169435.db2.gz AKSPCQZPZMKDCO-UHFFFAOYSA-N 0 0 443.525 2.679 50 0 IFAARN COc1cccc(-c2cc(C(=O)NC3CC3)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)c1 ZINC000016992870 569169640 /nfs/dbraw/zinc/16/96/40/569169640.db2.gz HAYCGNVYOOTRMJ-MRXNPFEDSA-N 0 0 440.525 2.667 50 0 IFAARN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000017041316 569171492 /nfs/dbraw/zinc/17/14/92/569171492.db2.gz GGEFSAUJQVWZNZ-HXUWFJFHSA-N 0 0 444.484 2.675 50 0 IFAARN Cc1ccc(CNC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc32)cc1 ZINC000017041330 569171512 /nfs/dbraw/zinc/17/15/12/569171512.db2.gz AFXQTDRVELFYAQ-UHFFFAOYSA-N 0 0 432.524 2.940 50 0 IFAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000017054036 569172004 /nfs/dbraw/zinc/17/20/04/569172004.db2.gz DKAMJJBYCRAGCU-UHFFFAOYSA-N 0 0 430.917 2.877 50 0 IFAARN Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)CCCNC(=O)c3ccco3)C2=O)cc1 ZINC000017061610 569172130 /nfs/dbraw/zinc/17/21/30/569172130.db2.gz ZIIVUVVBMOMTHP-JXAWBTAJSA-N 0 0 441.509 2.951 50 0 IFAARN CC(C)CCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017113085 569174010 /nfs/dbraw/zinc/17/40/10/569174010.db2.gz UNNKGRLFMDAYKE-QGZVFWFLSA-N 0 0 426.922 2.727 50 0 IFAARN CC(C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017113083 569174052 /nfs/dbraw/zinc/17/40/52/569174052.db2.gz UNNKGRLFMDAYKE-KRWDZBQOSA-N 0 0 426.922 2.727 50 0 IFAARN CC(C)CCNC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000017113096 569174151 /nfs/dbraw/zinc/17/41/51/569174151.db2.gz PRNVHFWWMJDXMZ-QGZVFWFLSA-N 0 0 426.535 2.681 50 0 IFAARN Cn1c(=O)c(C(=O)Nc2ccc(F)cc2)cnc1SCC(=O)N1CCc2ccccc21 ZINC000017144302 569174599 /nfs/dbraw/zinc/17/45/99/569174599.db2.gz OYLRKSWLPLGBAD-UHFFFAOYSA-N 0 0 438.484 2.853 50 0 IFAARN COc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)(=O)C3)c1OC ZINC000017143727 569174623 /nfs/dbraw/zinc/17/46/23/569174623.db2.gz PHATYYSNOZVMGL-UHFFFAOYSA-N 0 0 427.482 2.879 50 0 IFAARN Cn1c(=O)c2c(SCC(=O)Nc3cccc4ccccc43)nc(C3CC3)nc2n(C)c1=O ZINC000017148792 569174752 /nfs/dbraw/zinc/17/47/52/569174752.db2.gz ZIAOWFHWVYZETO-UHFFFAOYSA-N 0 0 447.520 2.789 50 0 IFAARN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(Cc3ccccc3F)CC2)c1 ZINC000017149111 569174822 /nfs/dbraw/zinc/17/48/22/569174822.db2.gz NDLIYAAPZHHAQA-UHFFFAOYSA-N 0 0 445.498 2.773 50 0 IFAARN O=C(NCc1cccs1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1 ZINC000017170090 569175411 /nfs/dbraw/zinc/17/54/11/569175411.db2.gz IHSMXOFVSPNDHD-AWEZNQCLSA-N 0 0 440.593 2.819 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000001058407 569176560 /nfs/dbraw/zinc/17/65/60/569176560.db2.gz OMZUPJHPSBOREX-UHFFFAOYSA-N 0 0 432.420 2.982 50 0 IFAARN COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1 ZINC000001079793 569176708 /nfs/dbraw/zinc/17/67/08/569176708.db2.gz SUALEWGUDADCLE-UHFFFAOYSA-N 0 0 434.558 2.676 50 0 IFAARN CCO[C@@H]1C[C@@H](N(C)C(=O)CN2C(=O)COc3cc(Br)ccc32)C1(C)C ZINC000170636652 569178195 /nfs/dbraw/zinc/17/81/95/569178195.db2.gz IDUXWCYYBVWUEC-HZPDHXFCSA-N 0 0 425.323 2.837 50 0 IFAARN C[C@@H]1COC[C@@H](C)N1C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC000170636741 569178320 /nfs/dbraw/zinc/17/83/20/569178320.db2.gz RLSBMCKAFAYHTD-NXEZZACHSA-N 0 0 428.308 2.929 50 0 IFAARN C[C@H]1COC[C@H](C)N1C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC000170636739 569178322 /nfs/dbraw/zinc/17/83/22/569178322.db2.gz RLSBMCKAFAYHTD-UWVGGRQHSA-N 0 0 428.308 2.929 50 0 IFAARN COCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cc(OC)ccc2OC)C1=O ZINC000002104416 569180229 /nfs/dbraw/zinc/18/02/29/569180229.db2.gz OHRTXOUWZJACSY-RDPSFJRHSA-N 0 0 449.507 2.516 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc([C@H]4CCCO4)o3)cc2)C1 ZINC000252427592 569183299 /nfs/dbraw/zinc/18/32/99/569183299.db2.gz LZDURJFBXFJCPQ-JKIFEVAISA-N 0 0 434.518 2.840 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1 ZINC000252444121 569183801 /nfs/dbraw/zinc/18/38/01/569183801.db2.gz XSKPBNDTIWOPCR-KFCXZAFISA-N 0 0 429.517 2.868 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc4c(c3)OCO4)c(=O)c2[C@H]1c1ccccc1 ZINC000002128940 569184283 /nfs/dbraw/zinc/18/42/83/569184283.db2.gz LIKQGZXEHPKEQX-HXUWFJFHSA-N 0 0 446.459 2.801 50 0 IFAARN COc1cc(C(=O)N=c2sccn2Cc2ccccc2)cc(Cl)c1OCC(N)=O ZINC000252457540 569184312 /nfs/dbraw/zinc/18/43/12/569184312.db2.gz QAKZUKMFHDQGHD-UHFFFAOYSA-N 0 0 431.901 2.865 50 0 IFAARN O=C(CCSCCCN1C(=O)c2ccccc2C1=O)NC(=O)NCc1ccccc1 ZINC000027190158 569184553 /nfs/dbraw/zinc/18/45/53/569184553.db2.gz BZVNOENMWBQUJG-UHFFFAOYSA-N 0 0 425.510 2.822 50 0 IFAARN COCCN1CC(=O)N2[C@H](c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002155731 569187589 /nfs/dbraw/zinc/18/75/89/569187589.db2.gz XLFXKEORUZCZNB-YADARESESA-N 0 0 449.507 2.516 50 0 IFAARN COc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](c3nccn3C)c3ccccc3)C2=O)cc1 ZINC000252508952 569188522 /nfs/dbraw/zinc/18/85/22/569188522.db2.gz XYSLVVZKGZWVOF-TZIWHRDSSA-N 0 0 447.495 2.744 50 0 IFAARN O=C(NCCn1cccc1)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000524733624 569188721 /nfs/dbraw/zinc/18/87/21/569188721.db2.gz WWCGBHVYFOWNAL-KRWDZBQOSA-N 0 0 432.933 2.795 50 0 IFAARN CN(CC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F)S(C)(=O)=O ZINC000170651310 569189574 /nfs/dbraw/zinc/18/95/74/569189574.db2.gz JRZHZQNDGNOTKP-KRWDZBQOSA-N 0 0 429.311 2.685 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3ncc(C)s3)C2=O)cc1OC ZINC000252533000 569189746 /nfs/dbraw/zinc/18/97/46/569189746.db2.gz FRHHSEPRFZDSFH-CQSZACIVSA-N 0 0 432.502 2.555 50 0 IFAARN O=C(C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1nc(-c2ccccn2)cs1 ZINC000252537608 569190046 /nfs/dbraw/zinc/19/00/46/569190046.db2.gz LSUCMBXRRMRSED-OAHLLOKOSA-N 0 0 425.445 2.998 50 0 IFAARN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 ZINC000252584931 569191151 /nfs/dbraw/zinc/19/11/51/569191151.db2.gz DWKSDJRENMWCDE-DZFGPLHGSA-N 0 0 427.545 2.729 50 0 IFAARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCNC(=O)C1CC1 ZINC000002195046 569191421 /nfs/dbraw/zinc/19/14/21/569191421.db2.gz OMDIZZHCUSGYAH-UHFFFAOYSA-N 0 0 435.509 2.526 50 0 IFAARN COc1ccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)NCc3ccco3)c2=O)cc1 ZINC000037399142 569194294 /nfs/dbraw/zinc/19/42/94/569194294.db2.gz JXVDSKXDUSLLTL-UHFFFAOYSA-N 0 0 439.855 2.724 50 0 IFAARN CC[C@@H](C)NC(=O)Cn1c2cc(Cl)ccc2c(=O)n(-c2cccc(C(C)=O)c2)c1=O ZINC000037399460 569194526 /nfs/dbraw/zinc/19/45/26/569194526.db2.gz DLXUPZXIIBPMOF-CYBMUJFWSA-N 0 0 427.888 2.923 50 0 IFAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)cc1OS(C)(=O)=O ZINC000037400354 569194888 /nfs/dbraw/zinc/19/48/88/569194888.db2.gz XIMMWHLLZACYNR-INIZCTEOSA-N 0 0 437.489 2.994 50 0 IFAARN CC[C@@H](C(=O)NCCOC)n1c2ccccc2c(=O)n(-c2ccc(C)c(Cl)c2)c1=O ZINC000037401964 569195131 /nfs/dbraw/zinc/19/51/31/569195131.db2.gz NVRDWYXKWJKBAZ-SFHVURJKSA-N 0 0 429.904 2.828 50 0 IFAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@H](c2ccc(F)cc2)SCC1=O ZINC000037424837 569195649 /nfs/dbraw/zinc/19/56/49/569195649.db2.gz AGZSQRZXSNLBLI-IBGZPJMESA-N 0 0 448.564 2.789 50 0 IFAARN O=C(/N=c1\sccn1Cc1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1F ZINC000037436857 569196233 /nfs/dbraw/zinc/19/62/33/569196233.db2.gz LIVUJLDVAPQKDA-GYHWCHFESA-N 0 0 425.485 2.951 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@H]3C)C2)cc(C(=O)OC)c1 ZINC000037458319 569197277 /nfs/dbraw/zinc/19/72/77/569197277.db2.gz KPXKEYGMVTYBJQ-BCXHYRKLSA-N 0 0 430.501 2.872 50 0 IFAARN C[C@H](C(=O)NC1CC1)N1C(=O)COc2ccc(C(=O)COc3ccc(F)c(F)c3)cc21 ZINC000037511459 569197949 /nfs/dbraw/zinc/19/79/49/569197949.db2.gz SNYUBLIWWSWFBZ-GFCCVEGCSA-N 0 0 430.407 2.619 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Br)cc3F)C2=O)C1 ZINC000037572691 569201213 /nfs/dbraw/zinc/20/12/13/569201213.db2.gz SPXQQEJCXTYCLU-OCCSQVGLSA-N 0 0 441.297 2.743 50 0 IFAARN CN(C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000252675354 569210293 /nfs/dbraw/zinc/21/02/93/569210293.db2.gz TVOVFUMLBFCUFG-DUVNUKRYSA-N 0 0 440.787 2.740 50 0 IFAARN O=c1c(=Cc2ccccc2Br)sc2nc([C@@H]3COc4ccccc4O3)nn12 ZINC000252679695 569210590 /nfs/dbraw/zinc/21/05/90/569210590.db2.gz QBAIKAJRRZLNOM-HNNXBMFYSA-N 0 0 442.294 2.974 50 0 IFAARN COc1ccc(/C=C/C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1CCOCC1 ZINC000003482075 569211875 /nfs/dbraw/zinc/21/18/75/569211875.db2.gz KZXOSHSHPWLNRV-CSKARUKUSA-N 0 0 430.526 2.985 50 0 IFAARN O=C(NCc1ccco1)c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000002959191 569212825 /nfs/dbraw/zinc/21/28/25/569212825.db2.gz KGYILCAFUXKCDU-HUUCEWRRSA-N 0 0 425.919 2.543 50 0 IFAARN O=C(Nc1cccc(Cl)c1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000003007740 569213034 /nfs/dbraw/zinc/21/30/34/569213034.db2.gz PYGRXIMRDAUZMY-UHFFFAOYSA-N 0 0 425.872 2.975 50 0 IFAARN COc1ccc(Cc2nn3c(nc2=O)s/c(=C/c2ccc(C(C)(C)C)cc2)c3=O)cc1 ZINC000002252675 569214500 /nfs/dbraw/zinc/21/45/00/569214500.db2.gz YEOYTTZUEFYPFR-XSFVSMFZSA-N 0 0 433.533 2.956 50 0 IFAARN O=C(CC1=N[C@H]2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccccn1)c1ccccn1 ZINC000048552674 569258328 /nfs/dbraw/zinc/25/83/28/569258328.db2.gz XEXHAVKGLAJORH-DEOSSOPVSA-N 0 0 437.459 2.951 50 0 IFAARN Cc1nnc(S[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)s1 ZINC000002283626 569263701 /nfs/dbraw/zinc/26/37/01/569263701.db2.gz OOAFARRRJFVKHT-SNVBAGLBSA-N 0 0 431.280 2.875 50 0 IFAARN COc1ccc(OC)c(CN2CCN(S(=O)(=O)C[C@H](C)COC3CCCC3)CC2)c1 ZINC000253392713 569264462 /nfs/dbraw/zinc/26/44/62/569264462.db2.gz VYCAKRIVBNWTOL-GOSISDBHSA-N 0 0 440.606 2.747 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@](O)(c2ccsc2)c2cccs2)cc1 ZINC000253403072 569264926 /nfs/dbraw/zinc/26/49/26/569264926.db2.gz PHPUGPWHSFSPGW-IBGZPJMESA-N 0 0 436.580 2.726 50 0 IFAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000253405287 569265360 /nfs/dbraw/zinc/26/53/60/569265360.db2.gz IEYWBEROUPQPII-IRLDBZIGSA-N 0 0 439.475 2.909 50 0 IFAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3ncc[nH]3)[C@H]21 ZINC000253413315 569265961 /nfs/dbraw/zinc/26/59/61/569265961.db2.gz ULVQQFWVSXICRX-FQEVSTJZSA-N 0 0 447.451 2.571 50 0 IFAARN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1C ZINC000253415213 569266277 /nfs/dbraw/zinc/26/62/77/569266277.db2.gz FXTARGYDBMPPER-KRWDZBQOSA-N 0 0 436.530 3.000 50 0 IFAARN C[C@H]([C@H](C)NC(=O)C[C@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1)N1CCOCC1 ZINC000253420120 569266753 /nfs/dbraw/zinc/26/67/53/569266753.db2.gz FWAPOQRISJRFJB-RZQQEMMASA-N 0 0 444.403 2.982 50 0 IFAARN O=C(c1ccoc1)N1CCC(NS(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000253420700 569266818 /nfs/dbraw/zinc/26/68/18/569266818.db2.gz ZTMUMOJHWMVJCH-UHFFFAOYSA-N 0 0 448.726 2.674 50 0 IFAARN COC[C@]1(CNC(=O)[C@H](C)NC(=O)OCc2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC000253423173 569266888 /nfs/dbraw/zinc/26/68/88/569266888.db2.gz UFSBZVIRXCNBFR-GAJHUEQPSA-N 0 0 449.548 2.834 50 0 IFAARN CS(=O)(=O)c1nn(CC(=O)Nc2ccc(Br)cc2Cl)nc1C(F)F ZINC000253424506 569267113 /nfs/dbraw/zinc/26/71/13/569267113.db2.gz HEEAFDKBYHGZAQ-UHFFFAOYSA-N 0 0 443.657 2.674 50 0 IFAARN O=C(NCCCOC[C@@H]1CCCO1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000253425893 569267253 /nfs/dbraw/zinc/26/72/53/569267253.db2.gz WKCRNQINPMBAKH-HNNXBMFYSA-N 0 0 439.310 2.884 50 0 IFAARN CCC1(C(=O)OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)CCC(O)CC1 ZINC000253428696 569267676 /nfs/dbraw/zinc/26/76/76/569267676.db2.gz KQIPOTKNLVZJRQ-BQJIDLTASA-N 0 0 425.547 2.522 50 0 IFAARN COC(=O)[C@@]1(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)OC(N2CCOCC2)=N1 ZINC000002322335 569274234 /nfs/dbraw/zinc/27/42/34/569274234.db2.gz ZQAXONDMCZEBTI-OAHLLOKOSA-N 0 0 440.205 2.890 50 0 IFAARN COc1cc(C)c(Br)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000027588032 569274455 /nfs/dbraw/zinc/27/44/55/569274455.db2.gz VKUBKKGMVIYXSX-UHFFFAOYSA-N 0 0 426.336 2.672 50 0 IFAARN CN(CCOc1ccc(Br)cc1)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC000253630214 569284595 /nfs/dbraw/zinc/28/45/95/569284595.db2.gz GKRVSXBWKYJHEL-UHFFFAOYSA-N 0 0 438.303 2.797 50 0 IFAARN O=C(N[C@H](CO)c1ccccc1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000252484277 569287934 /nfs/dbraw/zinc/28/79/34/569287934.db2.gz FTOCKSWYRGPOOT-CXAGYDPISA-N 0 0 443.301 2.528 50 0 IFAARN COc1ccc(N2C(=O)N[C@@H](CC(=O)NCc3cc(Cl)cc4c3OCOC4)C2=O)cc1 ZINC000252510001 569288191 /nfs/dbraw/zinc/28/81/91/569288191.db2.gz YZTVFAAOUNRETL-KRWDZBQOSA-N 0 0 445.859 2.551 50 0 IFAARN COC(=O)c1cn(-c2ccc3c(c2)C(=O)N(C)c2cccnc2S3)cc2c(=O)[nH]nc1-2 ZINC000253394425 569289020 /nfs/dbraw/zinc/28/90/20/569289020.db2.gz ACMZSJUBMYFCPP-UHFFFAOYSA-N 0 0 433.449 2.588 50 0 IFAARN COC(=O)c1cn(-c2cc(Cl)c(N3CCN(C)CC3)c(Cl)c2)cc2c(=O)[nH]nc1-2 ZINC000253415173 569289131 /nfs/dbraw/zinc/28/91/31/569289131.db2.gz ZWWJGXHYBLLHGH-UHFFFAOYSA-N 0 0 436.299 2.511 50 0 IFAARN CCCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1OCC ZINC000002377442 569289547 /nfs/dbraw/zinc/28/95/47/569289547.db2.gz OTFYIWDJJXHCOI-RCCKNPSSSA-N 0 0 449.532 2.837 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCc1cn2cc(C)ccc2n1 ZINC000008778625 569290418 /nfs/dbraw/zinc/29/04/18/569290418.db2.gz SHCBBXWHRNINIE-NBUZRDOWSA-N 0 0 448.932 2.917 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)n1 ZINC000002387140 569295202 /nfs/dbraw/zinc/29/52/02/569295202.db2.gz HZHFRNHBVIDWTF-UHFFFAOYSA-N 0 0 433.299 2.591 50 0 IFAARN CCc1ccc(CN(C)Cc2cnc(S(=O)(=O)CCOC)n2Cc2ccccc2)nc1 ZINC000055211911 569297997 /nfs/dbraw/zinc/29/79/97/569297997.db2.gz QOEJCPMOWIAMJU-UHFFFAOYSA-N 0 0 442.585 2.941 50 0 IFAARN CC[C@H](CO)NS(=O)(=O)c1ccc(C)c(-c2nnc3c4ccccc4c(C)nn23)c1 ZINC000002396331 569298485 /nfs/dbraw/zinc/29/84/85/569298485.db2.gz YASINDYEIDWRSC-OAHLLOKOSA-N 0 0 425.514 2.611 50 0 IFAARN CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1cnn(CC)c1)CC2 ZINC000014536250 569304809 /nfs/dbraw/zinc/30/48/09/569304809.db2.gz JHTXABNDGDOQOI-UHFFFAOYSA-N 0 0 437.500 2.532 50 0 IFAARN O=C(CON1C(=O)c2ccccc2C1=O)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 ZINC000012961327 569305431 /nfs/dbraw/zinc/30/54/31/569305431.db2.gz SMZNEMOZGZRKGT-NYHFZMIOSA-N 0 0 430.416 2.891 50 0 IFAARN CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(C)cc1 ZINC000002453840 569306224 /nfs/dbraw/zinc/30/62/24/569306224.db2.gz DINSWQHOIFCROD-UHFFFAOYSA-N 0 0 431.543 2.652 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1cccc(Cl)c1 ZINC000013031188 569307492 /nfs/dbraw/zinc/30/74/92/569307492.db2.gz NHEZDVOQPGEDLW-OAHLLOKOSA-N 0 0 439.940 2.663 50 0 IFAARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000013059371 569308533 /nfs/dbraw/zinc/30/85/33/569308533.db2.gz ZHWNLLZUDUQLGW-QZMUEMGWSA-N 0 0 442.537 2.622 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cccc(C)c3C)CC2)c(C)c1 ZINC000013062374 569308680 /nfs/dbraw/zinc/30/86/80/569308680.db2.gz DKTHOYUYWCWHEK-UHFFFAOYSA-N 0 0 444.553 2.610 50 0 IFAARN CCn1c(COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013075998 569309181 /nfs/dbraw/zinc/30/91/81/569309181.db2.gz QOYCCOCBSDAOJH-XYPWUTKMSA-N 0 0 447.557 2.745 50 0 IFAARN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000013110120 569310333 /nfs/dbraw/zinc/31/03/33/569310333.db2.gz CRQDCPAWQRHHGW-LLVKDONJSA-N 0 0 446.872 2.560 50 0 IFAARN CCN1CCN(C(=O)[C@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccccc2)CC1 ZINC000013117019 569310856 /nfs/dbraw/zinc/31/08/56/569310856.db2.gz OAQIWPOYBMHGPI-IBGZPJMESA-N 0 0 442.633 2.898 50 0 IFAARN COC(=O)c1ccc(COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1 ZINC000013148354 569312062 /nfs/dbraw/zinc/31/20/62/569312062.db2.gz ZXSULYURNCHPIY-FQEVSTJZSA-N 0 0 440.452 2.862 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)OC(C)(C)C)ccc2Cl)C[C@H](C)O1 ZINC000013287704 569312726 /nfs/dbraw/zinc/31/27/26/569312726.db2.gz FVPCFEVTAHXZMH-STQMWFEESA-N 0 0 447.937 2.636 50 0 IFAARN CCc1cccc(-n2nnnc2N2CCN(C(=O)Nc3ccc(OC)c(OC)c3)CC2)c1 ZINC000013349695 569313187 /nfs/dbraw/zinc/31/31/87/569313187.db2.gz OKOMOMCVYSJKFA-UHFFFAOYSA-N 0 0 437.504 2.596 50 0 IFAARN Cc1cccc(C(=O)Nc2ccccc2Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 ZINC000013365246 569314226 /nfs/dbraw/zinc/31/42/26/569314226.db2.gz LLUONYYAXJHLID-UHFFFAOYSA-N 0 0 435.509 2.683 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccccc3N3CCC(O)CC3)ccc21 ZINC000078624194 569316732 /nfs/dbraw/zinc/31/67/32/569316732.db2.gz URFKVSVOQUQSAH-UHFFFAOYSA-N 0 0 429.542 2.612 50 0 IFAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N(C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC000328593930 569317403 /nfs/dbraw/zinc/31/74/03/569317403.db2.gz AVQXHDRSRQLGRX-LBPRGKRZSA-N 0 0 449.758 2.914 50 0 IFAARN CCOc1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)OC)ccc1OCC(=O)N1CCCCC1 ZINC000078869317 569319550 /nfs/dbraw/zinc/31/95/50/569319550.db2.gz SYMOHWGCVKWTJE-ROUUACIJSA-N 0 0 432.517 2.548 50 0 IFAARN CCOC(=O)[C@@](C)(Cc1ccccc1)NC(=O)CCNC(=O)N(C)Cc1ccccc1 ZINC000078878609 569319906 /nfs/dbraw/zinc/31/99/06/569319906.db2.gz QPEOHKBPOKPULA-XMMPIXPASA-N 0 0 425.529 2.899 50 0 IFAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3cn(CC(=O)C(C)(C)C)nn3)CC2)cc1F ZINC000078903083 569320242 /nfs/dbraw/zinc/32/02/42/569320242.db2.gz IDGRMBGRTVIBLQ-UHFFFAOYSA-N 0 0 443.523 2.509 50 0 IFAARN O=C(CCNC(=O)c1ccc2ccccc2c1)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000078972231 569321101 /nfs/dbraw/zinc/32/11/01/569321101.db2.gz CFJJXXZDMFZZHO-UHFFFAOYSA-N 0 0 435.446 2.877 50 0 IFAARN NS(=O)(=O)NC[C@@H]1CCCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)C1 ZINC000078990433 569321489 /nfs/dbraw/zinc/32/14/89/569321489.db2.gz YLTQFJQVXPVNSK-AWEZNQCLSA-N 0 0 435.981 2.685 50 0 IFAARN O=C(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)NC[C@H]1CCCc2ccccc21 ZINC000078991128 569321500 /nfs/dbraw/zinc/32/15/00/569321500.db2.gz UJKXTNWXIVQIEL-LJQANCHMSA-N 0 0 442.519 2.958 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC[C@H](c4nnc[nH]4)C3)cc2)cc1 ZINC000079019818 569322401 /nfs/dbraw/zinc/32/24/01/569322401.db2.gz KGRPLMNRKARYAN-INIZCTEOSA-N 0 0 441.513 2.634 50 0 IFAARN Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C)c1 ZINC000079020467 569322410 /nfs/dbraw/zinc/32/24/10/569322410.db2.gz XCODDICSDTZMPE-GOSISDBHSA-N 0 0 432.565 2.608 50 0 IFAARN CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000079022319 569322470 /nfs/dbraw/zinc/32/24/70/569322470.db2.gz DOZZAWFIPAPCLJ-CTRJTCCGSA-N 0 0 435.409 2.779 50 0 IFAARN CCN1C(=O)[C@@H]2CN(C(=O)c3cn(-c4ccc(C)cc4)nc3-c3ccccc3)CCN2C1=O ZINC000079026163 569322981 /nfs/dbraw/zinc/32/29/81/569322981.db2.gz NRIBAHPJORDQIQ-NRFANRHFSA-N 0 0 443.507 2.956 50 0 IFAARN CCOC(=O)c1c[nH]nc1S(=O)(=O)N1C[C@@H](C)Oc2cc(C)c(Br)cc21 ZINC000079047480 569323276 /nfs/dbraw/zinc/32/32/76/569323276.db2.gz XQRCRYQBVYXMCG-SNVBAGLBSA-N 0 0 444.307 2.634 50 0 IFAARN O=C(NCc1nccn1CCc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000079051636 569323307 /nfs/dbraw/zinc/32/33/07/569323307.db2.gz PPJKMVIOZOPMIW-UHFFFAOYSA-N 0 0 433.512 2.920 50 0 IFAARN CN(Cc1ccccc1NC(=O)CNC(=O)CC(C)(C)C)C(=O)CNC(=O)CC(C)(C)C ZINC000079056278 569323602 /nfs/dbraw/zinc/32/36/02/569323602.db2.gz HCPHKFOSFRVGRC-UHFFFAOYSA-N 0 0 446.592 2.688 50 0 IFAARN CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)c1ccc(-c2ccccc2)nn1 ZINC000079061303 569323889 /nfs/dbraw/zinc/32/38/89/569323889.db2.gz QEEHZHKSWGMJFP-UHFFFAOYSA-N 0 0 439.541 2.933 50 0 IFAARN Nc1nsc(N2CCN(C(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000079060648 569323910 /nfs/dbraw/zinc/32/39/10/569323910.db2.gz DPVWUGOBAYXYTR-UHFFFAOYSA-N 0 0 427.917 2.967 50 0 IFAARN C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)c1cc2ccccc2o1 ZINC000079067464 569324420 /nfs/dbraw/zinc/32/44/20/569324420.db2.gz DFOROLUIJXDXGD-ZDUSSCGKSA-N 0 0 449.467 2.808 50 0 IFAARN COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C ZINC000079072368 569324570 /nfs/dbraw/zinc/32/45/70/569324570.db2.gz DIWVGHYOBDFRGF-HUUCEWRRSA-N 0 0 432.546 2.681 50 0 IFAARN NS(=O)(=O)Cc1cccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)c1 ZINC000079072192 569324593 /nfs/dbraw/zinc/32/45/93/569324593.db2.gz VLTVUPPXXFXGQQ-LJQANCHMSA-N 0 0 430.551 2.913 50 0 IFAARN Cc1c(S(=O)(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cnn1-c1ccc(F)cc1 ZINC000079094627 569325259 /nfs/dbraw/zinc/32/52/59/569325259.db2.gz ZPQDXEPDEDWRGM-UHFFFAOYSA-N 0 0 442.394 2.654 50 0 IFAARN O=C(COC(=O)c1c(O)cnc2ccccc21)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000079100771 569325529 /nfs/dbraw/zinc/32/55/29/569325529.db2.gz GSYLFGOALKDYGN-UHFFFAOYSA-N 0 0 433.464 2.975 50 0 IFAARN CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc(OC)c1 ZINC000079112507 569326313 /nfs/dbraw/zinc/32/63/13/569326313.db2.gz ZDHWEBVWVVLVQN-IBGZPJMESA-N 0 0 437.543 2.568 50 0 IFAARN O=C(OCn1nnc2ccccc2c1=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000079183125 569327817 /nfs/dbraw/zinc/32/78/17/569327817.db2.gz KHDIPRASSOBSKM-ZWKOTPCHSA-N 0 0 432.480 2.688 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 ZINC000019819813 569329888 /nfs/dbraw/zinc/32/98/88/569329888.db2.gz SIHWUJOACBWWJS-HXUWFJFHSA-N 0 0 432.542 2.891 50 0 IFAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4ccccc43)CC2)c1 ZINC000019867803 569330984 /nfs/dbraw/zinc/33/09/84/569330984.db2.gz VUYKRBCUJRBFBO-UHFFFAOYSA-N 0 0 427.526 2.522 50 0 IFAARN Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000079494594 569331406 /nfs/dbraw/zinc/33/14/06/569331406.db2.gz PQPDFUBBXVELTN-CQSZACIVSA-N 0 0 442.878 2.667 50 0 IFAARN Cc1ccc(CNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCCC4)cc32)cc1 ZINC000020136570 569335882 /nfs/dbraw/zinc/33/58/82/569335882.db2.gz ORTMGUCUTTYGBW-UHFFFAOYSA-N 0 0 439.537 2.941 50 0 IFAARN CCN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)CC1 ZINC000020153414 569353532 /nfs/dbraw/zinc/35/35/32/569353532.db2.gz SZHJEXUDCQAYQR-ZEQRLZLVSA-N 0 0 449.551 2.705 50 0 IFAARN O=S(=O)(c1ccccc1Br)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390828669 569354092 /nfs/dbraw/zinc/35/40/92/569354092.db2.gz BOZXYHDTCGRQFJ-INIZCTEOSA-N 0 0 444.372 3.000 50 0 IFAARN CN1c2ccccc2N(C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)S1(=O)=O ZINC000390831303 569354308 /nfs/dbraw/zinc/35/43/08/569354308.db2.gz RDHHGWNOUDAMSN-UHFFFAOYSA-N 0 0 447.991 2.756 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)c(C)c1 ZINC000390831557 569354404 /nfs/dbraw/zinc/35/44/04/569354404.db2.gz SMVHZBIOSZGUMR-HXUWFJFHSA-N 0 0 436.555 2.504 50 0 IFAARN CC1(C)Cc2cccc(OCC(=O)N3CCC(n4cnc5ncccc5c4=O)CC3)c2O1 ZINC000390831418 569354446 /nfs/dbraw/zinc/35/44/46/569354446.db2.gz RSHMIFKZRFGCDI-UHFFFAOYSA-N 0 0 434.496 2.748 50 0 IFAARN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCN3CCOCC3)C2=O)cc1 ZINC000020181267 569355323 /nfs/dbraw/zinc/35/53/23/569355323.db2.gz YKEIUESROCGNNQ-CJLVFECKSA-N 0 0 437.565 2.923 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc4c(c3)OCCO4)ccc21 ZINC000020209479 569356003 /nfs/dbraw/zinc/35/60/03/569356003.db2.gz BYZWHUHWOHYNFT-UHFFFAOYSA-N 0 0 444.509 2.559 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC3CCCC3)ccc21 ZINC000020234444 569357284 /nfs/dbraw/zinc/35/72/84/569357284.db2.gz NKJWPOICCAHHLM-IBGZPJMESA-N 0 0 435.590 2.738 50 0 IFAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)NCCCOC(C)C)c(C)o2)cc1OC ZINC000020241729 569358032 /nfs/dbraw/zinc/35/80/32/569358032.db2.gz OHUYXDHGLLUUHQ-SSEXGKCCSA-N 0 0 438.546 2.847 50 0 IFAARN CCOC(CNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1[S@@]2=O)OCC ZINC000020242871 569358356 /nfs/dbraw/zinc/35/83/56/569358356.db2.gz XFEYATZRFQYRNI-SSEXGKCCSA-N 0 0 430.526 2.962 50 0 IFAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCN1CCOCC1 ZINC000020282579 569358787 /nfs/dbraw/zinc/35/87/87/569358787.db2.gz SHWZLJLTOMBPMW-UHFFFAOYSA-N 0 0 425.508 2.533 50 0 IFAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc(Cl)c4)C3)ccc21 ZINC000020326666 569360525 /nfs/dbraw/zinc/36/05/25/569360525.db2.gz GXBYICVFXGWQKV-CYBMUJFWSA-N 0 0 449.916 2.824 50 0 IFAARN Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)NCCC4=CCCCC4)CC3)cc2oc1=O ZINC000020327622 569360590 /nfs/dbraw/zinc/36/05/90/569360590.db2.gz NLSNTAPTKNOLDO-UHFFFAOYSA-N 0 0 447.557 2.539 50 0 IFAARN NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000095347485 569361476 /nfs/dbraw/zinc/36/14/76/569361476.db2.gz KIECQJLJFISQRO-KRWDZBQOSA-N 0 0 428.341 2.526 50 0 IFAARN O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000095357350 569362144 /nfs/dbraw/zinc/36/21/44/569362144.db2.gz OEYPZYVAWVFZSC-UHFFFAOYSA-N 0 0 432.874 2.537 50 0 IFAARN COc1ccc(NC(=O)[C@H](NC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1Cl ZINC000080332864 569362416 /nfs/dbraw/zinc/36/24/16/569362416.db2.gz LXNMOJGVFOAEKK-GOSISDBHSA-N 0 0 446.939 2.634 50 0 IFAARN Cc1c(NC(=O)NCCCN2CCOCC2)sc2nc3n(c(=O)c12)CC[C@@H](C)CC3 ZINC000020385530 569363003 /nfs/dbraw/zinc/36/30/03/569363003.db2.gz OVTVJQRGPAZMHO-AWEZNQCLSA-N 0 0 433.578 2.583 50 0 IFAARN CC(C)(C)c1cc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000095389700 569363275 /nfs/dbraw/zinc/36/32/75/569363275.db2.gz ZQUVKIIYWGMZLP-SJLPKXTDSA-N 0 0 445.589 2.941 50 0 IFAARN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000095393903 569363526 /nfs/dbraw/zinc/36/35/26/569363526.db2.gz GVSQFWZANPYESS-UHFFFAOYSA-N 0 0 447.289 2.792 50 0 IFAARN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000095397010 569363538 /nfs/dbraw/zinc/36/35/38/569363538.db2.gz ZTHDIPAUUVCIBW-KRWDZBQOSA-N 0 0 449.960 2.897 50 0 IFAARN COc1cc(CNC(=O)c2cn(Cc3cccc(F)c3)nn2)cc(Br)c1O ZINC000095413019 569365359 /nfs/dbraw/zinc/36/53/59/569365359.db2.gz SSVSZOMXYXYGIV-UHFFFAOYSA-N 0 0 435.253 2.872 50 0 IFAARN C[C@H](NC(=O)CN1CCN(c2nccn3cnnc23)[C@@H](C)C1)c1cccc2ccccc21 ZINC000095432348 569366320 /nfs/dbraw/zinc/36/63/20/569366320.db2.gz VGZDXPCHLSSYJO-ROUUACIJSA-N 0 0 429.528 2.665 50 0 IFAARN O=C(C1CCN(c2cncc3nnnn32)CC1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000095436698 569366627 /nfs/dbraw/zinc/36/66/27/569366627.db2.gz XNIQUJDHXKGQAJ-KRWDZBQOSA-N 0 0 425.924 2.623 50 0 IFAARN CCn1c2ccc(NC(=O)CCC(=O)NCc3ccc(OC)c(C)c3)nc2n(CC)c1=O ZINC000095445145 569367132 /nfs/dbraw/zinc/36/71/32/569367132.db2.gz YZDVBXRPYUHMAZ-UHFFFAOYSA-N 0 0 439.516 2.590 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(N(C)C)cc1C(N)=O ZINC000095454795 569368385 /nfs/dbraw/zinc/36/83/85/569368385.db2.gz KWUKDNWWCFQZPY-UHFFFAOYSA-N 0 0 444.557 2.587 50 0 IFAARN CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)cc1Br ZINC000095460029 569369527 /nfs/dbraw/zinc/36/95/27/569369527.db2.gz JWIIKKXEMULWMB-CQSZACIVSA-N 0 0 441.351 2.766 50 0 IFAARN CC(C)(C)CN(C[C@@H](O)c1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000095461970 569370075 /nfs/dbraw/zinc/37/00/75/569370075.db2.gz OKCQQZQQPMZHRY-LJQANCHMSA-N 0 0 425.572 2.861 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@@H]3CCCN3[C@]13c1ccccc1NC3=O)OCO2 ZINC000020513298 569370311 /nfs/dbraw/zinc/37/03/11/569370311.db2.gz LXBLBBMTEWXEOZ-ZSCHSRKISA-N 0 0 433.464 2.888 50 0 IFAARN CCc1cc(=O)c2cc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2[nH]1 ZINC000095465572 569370769 /nfs/dbraw/zinc/37/07/69/569370769.db2.gz OCRCLJPAZZLXDA-UHFFFAOYSA-N 0 0 442.493 2.664 50 0 IFAARN COCC[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1)c1ccc(C)o1 ZINC000095465958 569370792 /nfs/dbraw/zinc/37/07/92/569370792.db2.gz LAUGBKKHTMNPKZ-QZTJIDSGSA-N 0 0 440.587 2.882 50 0 IFAARN CCN(CCNC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)cc1 ZINC000095471653 569372049 /nfs/dbraw/zinc/37/20/49/569372049.db2.gz UJHQYOREPWWGBF-NRFANRHFSA-N 0 0 431.558 2.555 50 0 IFAARN CC(C)Cn1cnc2ccc(NC(=O)CCCn3nnc4ccccc4c3=O)cc2c1=O ZINC000095472703 569372111 /nfs/dbraw/zinc/37/21/11/569372111.db2.gz YYISCUQZSXFNIT-UHFFFAOYSA-N 0 0 432.484 2.576 50 0 IFAARN COc1ccccc1-c1ccc(=O)n(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000095475751 569372900 /nfs/dbraw/zinc/37/29/00/569372900.db2.gz QRNYHBNHBBXNAD-UHFFFAOYSA-N 0 0 438.915 2.921 50 0 IFAARN CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H](Cn2cnnn2)c2ccc(Cl)cc2)CC1 ZINC000095478674 569373515 /nfs/dbraw/zinc/37/35/15/569373515.db2.gz DSMJIYBWDFAPBV-MRXNPFEDSA-N 0 0 434.928 2.580 50 0 IFAARN Cc1ccc(Cl)cc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000095481501 569374043 /nfs/dbraw/zinc/37/40/43/569374043.db2.gz KXQGADCIKNZSHN-UHFFFAOYSA-N 0 0 435.977 2.759 50 0 IFAARN C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000095946686 569376197 /nfs/dbraw/zinc/37/61/97/569376197.db2.gz BOASFWLWROAXTH-MRXNPFEDSA-N 0 0 440.560 2.958 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC000095947959 569376350 /nfs/dbraw/zinc/37/63/50/569376350.db2.gz GRCUKPBGTBSCEX-UHFFFAOYSA-N 0 0 445.955 2.809 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCc3ccc(S(N)(=O)=O)cc32)cc1C(F)(F)F ZINC000095961037 569377102 /nfs/dbraw/zinc/37/71/02/569377102.db2.gz FVOYBPYSCLAHJH-UHFFFAOYSA-N 0 0 434.461 2.803 50 0 IFAARN O=S(=O)(c1cccc(CN(Cc2cccs2)C[C@@H]2CCCO2)c1)N1CCOCC1 ZINC000095966259 569377377 /nfs/dbraw/zinc/37/73/77/569377377.db2.gz BIHCYRFBVILJSU-IBGZPJMESA-N 0 0 436.599 2.950 50 0 IFAARN COCCCN(C(=O)Nc1c(C)cc(Br)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000095983795 569378102 /nfs/dbraw/zinc/37/81/02/569378102.db2.gz KNVASLSPLZTSML-AWEZNQCLSA-N 0 0 449.367 2.824 50 0 IFAARN Cc1ccc(F)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000095995728 569378810 /nfs/dbraw/zinc/37/88/10/569378810.db2.gz CAJOQXNOFPINBO-UHFFFAOYSA-N 0 0 448.925 2.609 50 0 IFAARN COC(=O)c1ccc(CN(C)C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)cc1 ZINC000096001709 569379035 /nfs/dbraw/zinc/37/90/35/569379035.db2.gz QJCBRPIGKPCFAQ-QHCPKHFHSA-N 0 0 426.469 2.517 50 0 IFAARN CSC[C@H]1CCN(C(=O)C2([N-]C(=O)C(F)(F)F)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095997804 569379064 /nfs/dbraw/zinc/37/90/64/569379064.db2.gz FVRMQHIWUXSLIU-KRWDZBQOSA-N 0 0 443.535 2.911 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000096099481 569381644 /nfs/dbraw/zinc/38/16/44/569381644.db2.gz UATWJAYEEUXLKP-UHFFFAOYSA-N 0 0 425.503 2.655 50 0 IFAARN CSc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 ZINC000096103279 569381937 /nfs/dbraw/zinc/38/19/37/569381937.db2.gz FMRINIVWBHZBLL-IBGZPJMESA-N 0 0 427.526 2.714 50 0 IFAARN CO[C@@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(C)s1 ZINC000096104821 569382250 /nfs/dbraw/zinc/38/22/50/569382250.db2.gz ZFODNLYXBGTHMM-KRWDZBQOSA-N 0 0 444.600 2.653 50 0 IFAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)COc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000096105544 569382455 /nfs/dbraw/zinc/38/24/55/569382455.db2.gz KFPCLABCWIBPAR-UHFFFAOYSA-N 0 0 425.460 2.626 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3cccc4ncccc43)C2=O)cc1OC ZINC000096115019 569382978 /nfs/dbraw/zinc/38/29/78/569382978.db2.gz YBMLEWOGNWSUGW-SFHVURJKSA-N 0 0 434.452 2.701 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3ccc4c(ccn4C)c3)C2=O)cc1OC ZINC000096114898 569383079 /nfs/dbraw/zinc/38/30/79/569383079.db2.gz XEYOSKGWKNBWAO-KRWDZBQOSA-N 0 0 436.468 2.645 50 0 IFAARN COc1cc(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)cc2c1OCCO2 ZINC000096115170 569383148 /nfs/dbraw/zinc/38/31/48/569383148.db2.gz WSOHCHNODQEBKE-UHFFFAOYSA-N 0 0 428.393 2.581 50 0 IFAARN CC(C)n1c(CCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 ZINC000096116220 569383655 /nfs/dbraw/zinc/38/36/55/569383655.db2.gz XYNXZSSCFLWDHI-IBGZPJMESA-N 0 0 433.512 2.807 50 0 IFAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000096116439 569383817 /nfs/dbraw/zinc/38/38/17/569383817.db2.gz YDUWVZUPNSWQIX-FQEVSTJZSA-N 0 0 440.931 2.515 50 0 IFAARN Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(OC(F)(F)F)cc2)o1 ZINC000096116678 569383831 /nfs/dbraw/zinc/38/38/31/569383831.db2.gz VPJRLWAWUHFYAG-OAHLLOKOSA-N 0 0 427.375 2.933 50 0 IFAARN COC(=O)c1nc(NC(=O)Cc2ccc(-n3cnnn3)cc2)sc1Cc1ccccc1 ZINC000096118245 569384451 /nfs/dbraw/zinc/38/44/51/569384451.db2.gz LXSISAUCAWRWGT-UHFFFAOYSA-N 0 0 434.481 2.677 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cc2nc(-c3ccco3)no2)CC1 ZINC000096119684 569384776 /nfs/dbraw/zinc/38/47/76/569384776.db2.gz APNIMYAISFTEAB-UHFFFAOYSA-N 0 0 430.486 2.531 50 0 IFAARN O=C(c1ccco1)c1ccc(CNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)s1 ZINC000096119827 569384812 /nfs/dbraw/zinc/38/48/12/569384812.db2.gz RPZZDQXORMTWFL-UHFFFAOYSA-N 0 0 442.518 2.886 50 0 IFAARN Cn1c(=O)oc2ccc(S(=O)(=O)NCc3ccc(C(=O)c4ccsc4)s3)cc21 ZINC000096119921 569384817 /nfs/dbraw/zinc/38/48/17/569384817.db2.gz TVLMTQYEFXPRQF-UHFFFAOYSA-N 0 0 434.520 2.964 50 0 IFAARN O=S(=O)(CCOc1ccccc1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096120143 569384907 /nfs/dbraw/zinc/38/49/07/569384907.db2.gz JUAQJBFGZFPECM-SFHVURJKSA-N 0 0 429.947 2.597 50 0 IFAARN O=C(NCc1csc(-c2ccccc2)n1)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 ZINC000096123995 569385208 /nfs/dbraw/zinc/38/52/08/569385208.db2.gz KEOQVTHHXXFBLV-KRWDZBQOSA-N 0 0 446.540 2.714 50 0 IFAARN CO[C@](C)(CNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccccc1F ZINC000096123645 569385218 /nfs/dbraw/zinc/38/52/18/569385218.db2.gz QONUUTDSAQXSFR-XMMPIXPASA-N 0 0 439.487 2.668 50 0 IFAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124243 569385532 /nfs/dbraw/zinc/38/55/32/569385532.db2.gz XOESIRSHFBXTFU-UHFFFAOYSA-N 0 0 439.523 2.928 50 0 IFAARN CCOc1ccc2ccccc2c1C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124231 569385539 /nfs/dbraw/zinc/38/55/39/569385539.db2.gz LWGATHVSVROWTA-UHFFFAOYSA-N 0 0 429.484 2.572 50 0 IFAARN C/C=C\c1ccc(OC[C@@H](O)Cn2cnc3cc(OC)c(OC)cc3c2=O)c(OC)c1 ZINC000096129837 569385861 /nfs/dbraw/zinc/38/58/61/569385861.db2.gz HRCWOYBVCDNWJV-KJPDOMRESA-N 0 0 426.469 2.895 50 0 IFAARN Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000096137209 569385876 /nfs/dbraw/zinc/38/58/76/569385876.db2.gz AWPUYYBSJNGSJX-WOJGMQOQSA-N 0 0 443.569 2.860 50 0 IFAARN CN1CCN(C(=O)[C@H]2CN(C(=O)c3ccco3)C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000096211300 569386620 /nfs/dbraw/zinc/38/66/20/569386620.db2.gz DWIIHEIPCITTLN-ROUUACIJSA-N 0 0 435.446 2.928 50 0 IFAARN CSCC[C@@H]1NC(=O)c2cc(NC(=O)c3cc(-c4ccccn4)[nH]n3)ccc2NC1=O ZINC000096222084 569387031 /nfs/dbraw/zinc/38/70/31/569387031.db2.gz TUWSXMDFKSIGSX-INIZCTEOSA-N 0 0 436.497 2.528 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3nc(C)c(C)s3)C2=O)cc1OC ZINC000096222979 569387284 /nfs/dbraw/zinc/38/72/84/569387284.db2.gz DRONTKOSXXTZII-AWEZNQCLSA-N 0 0 432.502 2.616 50 0 IFAARN CC(C)Cn1c(CNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 ZINC000096222847 569387289 /nfs/dbraw/zinc/38/72/89/569387289.db2.gz CVNBOAFKBPGBMF-LJQANCHMSA-N 0 0 433.512 2.839 50 0 IFAARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1nc(-c2ccccc2)cs1 ZINC000096223801 569387384 /nfs/dbraw/zinc/38/73/84/569387384.db2.gz VQNVILQWUIEURL-SFHVURJKSA-N 0 0 434.521 2.980 50 0 IFAARN CC(C)n1c(CCNC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)nc2ccccc21 ZINC000096231669 569387614 /nfs/dbraw/zinc/38/76/14/569387614.db2.gz DZVWXAMPLJRZIP-IBGZPJMESA-N 0 0 433.512 2.787 50 0 IFAARN CSCC[C@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 ZINC000096232413 569387682 /nfs/dbraw/zinc/38/76/82/569387682.db2.gz UKEIZLMIEZVFGN-KRWDZBQOSA-N 0 0 437.525 2.945 50 0 IFAARN COC(=O)c1nc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)sc1Cc1ccccc1 ZINC000096232388 569387729 /nfs/dbraw/zinc/38/77/29/569387729.db2.gz NDLXBFUDLVBLDS-KRWDZBQOSA-N 0 0 448.508 2.930 50 0 IFAARN CC(C)(C)NC(=O)N1CCC(NC(=O)c2nccnc2NC(=O)c2cccc(F)c2)CC1 ZINC000096280917 569389705 /nfs/dbraw/zinc/38/97/05/569389705.db2.gz OLGKKXKNGQULHW-UHFFFAOYSA-N 0 0 442.495 2.570 50 0 IFAARN Cc1cc([C@H]2C[C@@H](C(=O)NN3CCOCC3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000096281568 569390057 /nfs/dbraw/zinc/39/00/57/569390057.db2.gz YYXFZSMJDCVHNL-LEWJYISDSA-N 0 0 425.504 2.743 50 0 IFAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NCc1ccccc1 ZINC000096287074 569390307 /nfs/dbraw/zinc/39/03/07/569390307.db2.gz SKIOFRRCXOKHBC-KDURUIRLSA-N 0 0 442.537 2.849 50 0 IFAARN CN1C2=C(C(=O)N(C(C)(C)C(=O)NCc3ccco3)C2)[C@H](c2ccccc2Cl)NC1=O ZINC000096287162 569390309 /nfs/dbraw/zinc/39/03/09/569390309.db2.gz LIBXSFMPNVTARF-SFHVURJKSA-N 0 0 442.903 2.820 50 0 IFAARN Cc1ccc(F)cc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(Cl)cc2)ccc1=O ZINC000096307742 569392194 /nfs/dbraw/zinc/39/21/94/569392194.db2.gz OAKKHCUEIFJWGJ-UHFFFAOYSA-N 0 0 435.864 2.816 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000096307789 569392308 /nfs/dbraw/zinc/39/23/08/569392308.db2.gz RHFCLPODGXULAL-UHFFFAOYSA-N 0 0 429.473 2.977 50 0 IFAARN COCc1nc(C(C)C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1ccccc1F ZINC000096316797 569392858 /nfs/dbraw/zinc/39/28/58/569392858.db2.gz UXOLXAPUDGBIIN-UHFFFAOYSA-N 0 0 436.553 2.558 50 0 IFAARN Cc1ccc2c(c1)c(=O)n(-c1cccc(Cl)c1)c(=O)n2CC(=O)NCc1ccccn1 ZINC000096318025 569393570 /nfs/dbraw/zinc/39/35/70/569393570.db2.gz XKIPZSUZGYZJTK-UHFFFAOYSA-N 0 0 434.883 2.826 50 0 IFAARN COc1cccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)c1 ZINC000096318150 569393779 /nfs/dbraw/zinc/39/37/79/569393779.db2.gz VNIKVZDSIVXHAD-UHFFFAOYSA-N 0 0 447.466 2.925 50 0 IFAARN COc1cccc(C(=O)Cn2nc3n(c4ccsc4c(=O)n3CCC(C)C)c2=O)c1 ZINC000096321826 569394184 /nfs/dbraw/zinc/39/41/84/569394184.db2.gz MUWQECNYQNYLAU-UHFFFAOYSA-N 0 0 426.498 2.810 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)NCc4ccccc4Cl)cc3oc2=O)no1 ZINC000096322094 569394367 /nfs/dbraw/zinc/39/43/67/569394367.db2.gz QNLWUABSQMKHBD-UHFFFAOYSA-N 0 0 448.888 2.720 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)NC4CCCCCCC4)cc3oc2=O)no1 ZINC000096322098 569394388 /nfs/dbraw/zinc/39/43/88/569394388.db2.gz QUHBYKVIQAZMEM-UHFFFAOYSA-N 0 0 434.518 2.979 50 0 IFAARN COc1ccccc1-c1noc(Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)n1 ZINC000096322273 569394499 /nfs/dbraw/zinc/39/44/99/569394499.db2.gz IIJLUSBFWDVIAO-UHFFFAOYSA-N 0 0 443.419 2.999 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)NC3CCCC3)CC2)c1 ZINC000096322663 569394832 /nfs/dbraw/zinc/39/48/32/569394832.db2.gz WIQLNDJOWJSMTB-UHFFFAOYSA-N 0 0 449.598 2.940 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)cc1 ZINC000096324708 569395931 /nfs/dbraw/zinc/39/59/31/569395931.db2.gz WVKIAESWVZYPKH-UHFFFAOYSA-N 0 0 432.484 2.921 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(C(=O)c2ccc(OC)c(OC)c2)CC3)n1C ZINC000096332594 569396531 /nfs/dbraw/zinc/39/65/31/569396531.db2.gz FCVAIZYNQMOKJA-UHFFFAOYSA-N 0 0 442.545 2.543 50 0 IFAARN O=C([C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000096344334 569397051 /nfs/dbraw/zinc/39/70/51/569397051.db2.gz MCOJHEKHIQNOMR-AWEZNQCLSA-N 0 0 425.439 2.543 50 0 IFAARN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 ZINC000096345378 569397215 /nfs/dbraw/zinc/39/72/15/569397215.db2.gz RIVLBYGYHMOBIP-RUZDIDTESA-N 0 0 441.491 2.816 50 0 IFAARN COc1ccc(CCN2CC(=O)N(c3ccc(C)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000096355808 569397398 /nfs/dbraw/zinc/39/73/98/569397398.db2.gz MEOZQKBFKJCBQI-LEWJYISDSA-N 0 0 448.972 2.714 50 0 IFAARN O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000096358590 569397529 /nfs/dbraw/zinc/39/75/29/569397529.db2.gz BFBBBJCGNXUQCU-UHFFFAOYSA-N 0 0 438.871 2.577 50 0 IFAARN O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000096358555 569397536 /nfs/dbraw/zinc/39/75/36/569397536.db2.gz FCFIMDODXHAYKN-UHFFFAOYSA-N 0 0 426.879 2.916 50 0 IFAARN O=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000096377737 569398206 /nfs/dbraw/zinc/39/82/06/569398206.db2.gz ROFNFEMMHNJVNG-UHFFFAOYSA-N 0 0 439.408 2.571 50 0 IFAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000096376269 569398226 /nfs/dbraw/zinc/39/82/26/569398226.db2.gz YORUPGIGTOLWKS-UHFFFAOYSA-N 0 0 430.526 2.661 50 0 IFAARN COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccc(C)c(N2CCCC2=O)c1)OC ZINC000096385270 569398301 /nfs/dbraw/zinc/39/83/01/569398301.db2.gz BIQVXIZYTJBCOC-HXUWFJFHSA-N 0 0 425.485 2.573 50 0 IFAARN CCc1nc2cc(N3CCC[C@H](C(=O)N4CCC5(CC4)OCCO5)C3)cnc2nc1CC ZINC000096387346 569398876 /nfs/dbraw/zinc/39/88/76/569398876.db2.gz MZJBUWRKRWUISX-KRWDZBQOSA-N 0 0 439.560 2.732 50 0 IFAARN COc1ccc(N2CC[C@H](NS(=O)(=O)c3cccc(Br)c3)C2=O)cc1 ZINC000096396184 569398999 /nfs/dbraw/zinc/39/89/99/569398999.db2.gz BOVVEECYYLNNJJ-INIZCTEOSA-N 0 0 425.304 2.542 50 0 IFAARN CC(C)n1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1=O ZINC000096396690 569399139 /nfs/dbraw/zinc/39/91/39/569399139.db2.gz ROZNDOOQIPCNTH-UHFFFAOYSA-N 0 0 433.921 2.755 50 0 IFAARN COc1cccc(N2CCN(C(=O)[C@@H]3CCc4sc(C(=O)N(C)C)cc4C3)CC2)c1 ZINC000096398260 569399550 /nfs/dbraw/zinc/39/95/50/569399550.db2.gz DKXQRHMMLJNBCP-MRXNPFEDSA-N 0 0 427.570 2.912 50 0 IFAARN O=C(c1cc2c(s1)CC[C@H](C(=O)N1CCN(c3ccccc3)CC1)C2)N1CCOCC1 ZINC000096398472 569399686 /nfs/dbraw/zinc/39/96/86/569399686.db2.gz BZXPWUHSZVMALZ-SFHVURJKSA-N 0 0 439.581 2.674 50 0 IFAARN COc1ccccc1NC(=O)C[C@@H]1CS(=O)(=O)C[C@H]1CC(=O)Nc1ccccc1OC ZINC000096592328 569401892 /nfs/dbraw/zinc/40/18/92/569401892.db2.gz SFIOZTAZOREOMW-HZPDHXFCSA-N 0 0 446.525 2.722 50 0 IFAARN O=C1[C@H](N2CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)CCN1CC1CC1 ZINC000097077587 569403026 /nfs/dbraw/zinc/40/30/26/569403026.db2.gz NWJXKWLXKWGAGC-GOSISDBHSA-N 0 0 446.400 2.701 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N3CCC4(CC3)OCCO4)c(C)c2c1 ZINC000002459848 569403616 /nfs/dbraw/zinc/40/36/16/569403616.db2.gz UQQKSOBMYUXVBQ-UHFFFAOYSA-N 0 0 436.530 2.751 50 0 IFAARN O=C(c1cccc(-n2cccn2)c1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000225544801 569404045 /nfs/dbraw/zinc/40/40/45/569404045.db2.gz CBXHVLOTTWJVBQ-UHFFFAOYSA-N 0 0 446.486 2.980 50 0 IFAARN Cc1ccccc1-n1c(=O)[nH]nc1CC1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000225547881 569404138 /nfs/dbraw/zinc/40/41/38/569404138.db2.gz WLGDELZFSWUADI-UHFFFAOYSA-N 0 0 432.484 2.947 50 0 IFAARN O=C(NCC(F)(F)F)c1cc(C2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)n[nH]1 ZINC000225565053 569404646 /nfs/dbraw/zinc/40/46/46/569404646.db2.gz TUELBTRFINXMTB-DHZHZOJOSA-N 0 0 442.463 2.882 50 0 IFAARN COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000055408633 569404731 /nfs/dbraw/zinc/40/47/31/569404731.db2.gz UZTJEDVSAVRYMP-ZWKOTPCHSA-N 0 0 438.908 2.502 50 0 IFAARN COc1ccc(N2C(=O)CN(CCCc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000055408674 569404762 /nfs/dbraw/zinc/40/47/62/569404762.db2.gz ZGNYLZDVHVDOIU-VQTJNVASSA-N 0 0 448.972 2.796 50 0 IFAARN Cn1c(CCNC(=O)c2nnn(Cc3ccccc3)c2-n2cccc2)nc2ccccc21 ZINC000225584952 569404950 /nfs/dbraw/zinc/40/49/50/569404950.db2.gz QGFSVEGTRKHIID-UHFFFAOYSA-N 0 0 425.496 2.976 50 0 IFAARN Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)CCc1ccc(S(C)(=O)=O)cc1 ZINC000225614936 569405788 /nfs/dbraw/zinc/40/57/88/569405788.db2.gz UHVNXZGGEVUVIT-UHFFFAOYSA-N 0 0 436.555 2.510 50 0 IFAARN COc1cc(F)c(S(=O)(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1OC ZINC000028038917 569406464 /nfs/dbraw/zinc/40/64/64/569406464.db2.gz DXZGUSJUMYPPAJ-UHFFFAOYSA-N 0 0 436.505 2.688 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1C ZINC000225734821 569407693 /nfs/dbraw/zinc/40/76/93/569407693.db2.gz DCLJRUQLPZYFJO-UHFFFAOYSA-N 0 0 430.452 2.632 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1F ZINC000225734935 569407798 /nfs/dbraw/zinc/40/77/98/569407798.db2.gz OMKVOMXFPFJRBK-UHFFFAOYSA-N 0 0 448.442 2.853 50 0 IFAARN COc1ccc(CC(=O)N2CCC(n3c(=O)[nH]c4ccc(F)cc4c3=O)CC2)cc1Cl ZINC000225762467 569408346 /nfs/dbraw/zinc/40/83/46/569408346.db2.gz DYCBBKMOLOITFN-UHFFFAOYSA-N 0 0 445.878 2.897 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)cc1F ZINC000225781827 569408542 /nfs/dbraw/zinc/40/85/42/569408542.db2.gz YZPBGCQQEVGUKN-UHFFFAOYSA-N 0 0 437.880 2.633 50 0 IFAARN COc1ccccc1NC(=S)N[C@@H](NC(=O)N1CCOCC1)C(Cl)(Cl)Cl ZINC000028293931 569409647 /nfs/dbraw/zinc/40/96/47/569409647.db2.gz CANVSCHOJOFINX-LBPRGKRZSA-N 0 0 441.768 2.720 50 0 IFAARN Cc1ccc2nc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)sc2c1 ZINC000002623075 569411340 /nfs/dbraw/zinc/41/13/40/569411340.db2.gz XWHSLOAFSPWTSM-UHFFFAOYSA-N 0 0 437.568 2.868 50 0 IFAARN CCCn1c(=O)c2cc3c(cc2nc1N1CCN(C(=O)Nc2ccccc2)CC1)OCCO3 ZINC000028555901 569412181 /nfs/dbraw/zinc/41/21/81/569412181.db2.gz XWYITIHFDBKNLZ-UHFFFAOYSA-N 0 0 449.511 2.932 50 0 IFAARN O=C(COc1ccccc1Cl)N1CCN(c2ncnc3cc4c(cc32)OCCO4)CC1 ZINC000028558758 569412295 /nfs/dbraw/zinc/41/22/95/569412295.db2.gz WTLYSESTNMUHEZ-UHFFFAOYSA-N 0 0 440.887 2.782 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000002636264 569412976 /nfs/dbraw/zinc/41/29/76/569412976.db2.gz DLTYCAZKSXPPJT-CYBMUJFWSA-N 0 0 445.522 2.902 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000002643482 569413857 /nfs/dbraw/zinc/41/38/57/569413857.db2.gz KKMSRIAJMDZNQO-ZDUSSCGKSA-N 0 0 431.286 2.700 50 0 IFAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O ZINC000002657955 569415688 /nfs/dbraw/zinc/41/56/88/569415688.db2.gz GEOLYBUZQKSZFM-FQEVSTJZSA-N 0 0 430.302 2.575 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC(=O)Cc1ccccc1 ZINC000002657608 569415696 /nfs/dbraw/zinc/41/56/96/569415696.db2.gz MZUXJAMFJRNKJT-FQEVSTJZSA-N 0 0 430.888 2.523 50 0 IFAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000002660144 569415932 /nfs/dbraw/zinc/41/59/32/569415932.db2.gz JALPNKDAZUKJDB-UHFFFAOYSA-N 0 0 434.514 2.674 50 0 IFAARN CC(=O)O[C@@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1OC(C)=O ZINC000230005309 569417270 /nfs/dbraw/zinc/41/72/70/569417270.db2.gz RBWWJLZVOQGLQV-LFRJMLHLSA-N 0 0 442.464 2.906 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(F)cc1F ZINC000028721408 569418793 /nfs/dbraw/zinc/41/87/93/569418793.db2.gz ODSDRXPDMBUBRY-JOCHJYFZSA-N 0 0 439.466 2.879 50 0 IFAARN C[C@@H](C(=O)Nc1cnn(C)c1C(N)=O)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000002777830 569420867 /nfs/dbraw/zinc/42/08/67/569420867.db2.gz DUZTVUYNRRYIFY-LURJTMIESA-N 0 0 449.231 2.574 50 0 IFAARN Cc1nn(Cc2nc3c4c(C)c(C(=O)N(C)C)sc4ncn3n2)c(C)c1Br ZINC000002791119 569421745 /nfs/dbraw/zinc/42/17/45/569421745.db2.gz UKHOLLHSNHDMTE-UHFFFAOYSA-N 0 0 448.350 2.973 50 0 IFAARN COC(=O)c1sc2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc2c1Cl ZINC000002804027 569422570 /nfs/dbraw/zinc/42/25/70/569422570.db2.gz VEQDFJSUEFREQS-UHFFFAOYSA-N 0 0 430.935 2.951 50 0 IFAARN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc2c(c(Br)c1)OCO2 ZINC000028924274 569423453 /nfs/dbraw/zinc/42/34/53/569423453.db2.gz SAFZIICRDYLRHM-GOSISDBHSA-N 0 0 432.274 2.515 50 0 IFAARN CCn1cnc2sc(C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)c(C)c2c1=O ZINC000002910866 569424852 /nfs/dbraw/zinc/42/48/52/569424852.db2.gz NJQHBLBURWSNFJ-UHFFFAOYSA-N 0 0 429.454 2.612 50 0 IFAARN Cc1nnc2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3cc(Cl)ccc3C)c(N)c1-2 ZINC000002926940 569425780 /nfs/dbraw/zinc/42/57/80/569425780.db2.gz LCJZWLSUUBAFAG-CQSZACIVSA-N 0 0 446.964 2.886 50 0 IFAARN COc1cc2c(cc1OC)n(CC(=O)NCCc1ccc(C)cc1)n1c2nc(=O)cc1C ZINC000002948063 569427070 /nfs/dbraw/zinc/42/70/70/569427070.db2.gz VFPTUCUGQINAMJ-UHFFFAOYSA-N 0 0 434.496 2.642 50 0 IFAARN Cc1c(C(=O)N2CCN(c3ccc(-c4ccccn4)nn3)CC2)cnn1-c1ccccc1 ZINC000056903580 569427411 /nfs/dbraw/zinc/42/74/11/569427411.db2.gz LUFYMPXTCFZKNX-UHFFFAOYSA-N 0 0 425.496 2.995 50 0 IFAARN C[C@@H](C(=O)NCCOc1ccc(-c2ccccn2)nn1)n1nc(-c2cccs2)ccc1=O ZINC000056908254 569427629 /nfs/dbraw/zinc/42/76/29/569427629.db2.gz LRLDINZBMUCULJ-HNNXBMFYSA-N 0 0 448.508 2.580 50 0 IFAARN CC[C@@H](C(=O)N1CCN(c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1)c1ccccc1 ZINC000056907969 569427734 /nfs/dbraw/zinc/42/77/34/569427734.db2.gz CEYWRIHEPXUEBU-LEWJYISDSA-N 0 0 444.601 2.702 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000056908001 569427737 /nfs/dbraw/zinc/42/77/37/569427737.db2.gz IQONDNLEQCPISU-CQSZACIVSA-N 0 0 442.994 2.537 50 0 IFAARN O=C(CN1CCC(C(=O)N2CCCC2)CC1)Nc1ccccc1I ZINC000029158287 569427745 /nfs/dbraw/zinc/42/77/45/569427745.db2.gz YSVINMDACQZLEA-UHFFFAOYSA-N 0 0 441.313 2.564 50 0 IFAARN Cc1ccc(CNC(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)cc1 ZINC000056949844 569428318 /nfs/dbraw/zinc/42/83/18/569428318.db2.gz WDCQRZWEFOLWHU-UHFFFAOYSA-N 0 0 447.535 2.966 50 0 IFAARN COc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc1F ZINC000056997640 569428818 /nfs/dbraw/zinc/42/88/18/569428818.db2.gz OJELMCMSSLOSQF-UHFFFAOYSA-N 0 0 427.929 2.588 50 0 IFAARN COc1ccc(N2C(=O)CN(C3CCCCCC3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000056998175 569429146 /nfs/dbraw/zinc/42/91/46/569429146.db2.gz OAICUUDHJRMJRG-QZTJIDSGSA-N 0 0 426.966 2.886 50 0 IFAARN COc1cc2nc(CN3CCC(C(=O)N4CCCCCC4)CC3)[nH]c(=O)c2cc1OC ZINC000057270784 569430360 /nfs/dbraw/zinc/43/03/60/569430360.db2.gz FXDYQVUVYABTGK-UHFFFAOYSA-N 0 0 428.533 2.555 50 0 IFAARN Cc1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000057292068 569430419 /nfs/dbraw/zinc/43/04/19/569430419.db2.gz LAZMRCNEJZBANI-SFHVURJKSA-N 0 0 427.570 2.817 50 0 IFAARN O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000057323064 569431185 /nfs/dbraw/zinc/43/11/85/569431185.db2.gz QRHJNEVCWKBKJV-UHFFFAOYSA-N 0 0 435.572 2.967 50 0 IFAARN CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)OCC)N2C1=O ZINC000002967024 569433071 /nfs/dbraw/zinc/43/30/71/569433071.db2.gz GHMJTSHBYZFPHM-MRXNPFEDSA-N 0 0 430.530 2.638 50 0 IFAARN CC[NH+](CC)CCNC(=O)CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974384 569433574 /nfs/dbraw/zinc/43/35/74/569433574.db2.gz DRWFSOFPWOEVNY-UHFFFAOYSA-N 0 0 434.562 2.806 50 0 IFAARN COC(=O)C1C(CN2CCN(c3ccccc3Cl)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414283 569433824 /nfs/dbraw/zinc/43/38/24/569433824.db2.gz UXLYCZDROSVHAI-OAQYLSRUSA-N 0 0 440.931 2.943 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000057415942 569434165 /nfs/dbraw/zinc/43/41/65/569434165.db2.gz FKGRFKQHLVGHOO-OAQYLSRUSA-N 0 0 440.569 2.968 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)c1 ZINC000057426846 569434714 /nfs/dbraw/zinc/43/47/14/569434714.db2.gz PYNPVBRTOIUWBD-UHFFFAOYSA-N 0 0 435.505 2.945 50 0 IFAARN CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)c1=O ZINC000057427341 569434765 /nfs/dbraw/zinc/43/47/65/569434765.db2.gz YRWDLXDWDHTXBJ-UHFFFAOYSA-N 0 0 443.481 2.595 50 0 IFAARN CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)on3)c2=O)c1 ZINC000057428046 569434801 /nfs/dbraw/zinc/43/48/01/569434801.db2.gz OBIYCJBRVNIJBX-UHFFFAOYSA-N 0 0 440.481 2.607 50 0 IFAARN Cc1cc(I)ccc1NC(=O)CN1CCN(c2nccs2)CC1 ZINC000057463536 569435494 /nfs/dbraw/zinc/43/54/94/569435494.db2.gz HMAOUQXGJJKCJT-UHFFFAOYSA-N 0 0 442.326 2.817 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCc3cccs3)c2=O)cc1 ZINC000057473306 569435746 /nfs/dbraw/zinc/43/57/46/569435746.db2.gz ZARVDXWOIFCZMN-UHFFFAOYSA-N 0 0 449.532 2.792 50 0 IFAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NCc2ccc(C)cc2)c1=O ZINC000057490735 569437170 /nfs/dbraw/zinc/43/71/70/569437170.db2.gz YETIAUBEQKZRFH-UHFFFAOYSA-N 0 0 435.505 2.847 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3F)c2=O)cc1 ZINC000057490540 569437229 /nfs/dbraw/zinc/43/72/29/569437229.db2.gz WOCAVHQWHMZNPQ-UHFFFAOYSA-N 0 0 439.468 2.678 50 0 IFAARN O=C(Cn1c2ccsc2c(=O)n(CCc2cccs2)c1=O)NCc1ccc(F)cc1 ZINC000057493981 569437655 /nfs/dbraw/zinc/43/76/55/569437655.db2.gz VMLZCNYZFAQQNG-UHFFFAOYSA-N 0 0 443.525 2.984 50 0 IFAARN Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5CCCC[C@H]5C)nc34)n2)c1 ZINC000057494876 569437754 /nfs/dbraw/zinc/43/77/54/569437754.db2.gz GYMIGPJOJPGDGB-MRXNPFEDSA-N 0 0 432.484 2.922 50 0 IFAARN Cc1cc2nn(CC(=O)Nc3cccc(F)c3)c(=O)n2c(N2CCc3ccccc3C2)n1 ZINC000057505962 569438188 /nfs/dbraw/zinc/43/81/88/569438188.db2.gz ANLCAHMXROKDRA-UHFFFAOYSA-N 0 0 432.459 2.540 50 0 IFAARN COc1ccc(CCNC(=O)Cn2c(=O)cc(C)nc2Nc2cccc(F)c2)cc1OC ZINC000057506087 569438236 /nfs/dbraw/zinc/43/82/36/569438236.db2.gz PDMFVYLBKOHJQK-UHFFFAOYSA-N 0 0 440.475 2.811 50 0 IFAARN CC(=O)c1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc32)cc1 ZINC000057507059 569438286 /nfs/dbraw/zinc/43/82/86/569438286.db2.gz RFDPSDVFAUOROZ-UHFFFAOYSA-N 0 0 429.527 2.856 50 0 IFAARN CCOc1ccc(NC(=O)CSc2cc(-n3ccc(C(=O)NC4CC4)n3)ncn2)cc1 ZINC000057520098 569438717 /nfs/dbraw/zinc/43/87/17/569438717.db2.gz ATKXSQLSJSVWLA-UHFFFAOYSA-N 0 0 438.513 2.684 50 0 IFAARN CCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000057522018 569439001 /nfs/dbraw/zinc/43/90/01/569439001.db2.gz ATBLRJIFJPZHLQ-UHFFFAOYSA-N 0 0 429.521 2.633 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@H]1[C@H](C(=O)NCc1ccccc1F)C2 ZINC000230130047 569439092 /nfs/dbraw/zinc/43/90/92/569439092.db2.gz AEFQDVDWNHRLHS-OFNKIYASSA-N 0 0 447.514 2.808 50 0 IFAARN COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1OC ZINC000057531373 569439489 /nfs/dbraw/zinc/43/94/89/569439489.db2.gz BZYJITTWENPWEU-BXWFABGCSA-N 0 0 440.443 2.973 50 0 IFAARN COc1cc(NC(C)=O)c(C(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000057648851 569440643 /nfs/dbraw/zinc/44/06/43/569440643.db2.gz SITPDUDKOHIOMW-UHFFFAOYSA-N 0 0 426.425 2.505 50 0 IFAARN CC(=O)Nc1ccc2c(COC(=O)CCn3cnc4ccccc4c3=O)cc(=O)oc2c1 ZINC000057704113 569440953 /nfs/dbraw/zinc/44/09/53/569440953.db2.gz VTNXBRYWVZBGTE-UHFFFAOYSA-N 0 0 433.420 2.595 50 0 IFAARN CCOC(=O)c1c(N)n(C[C@@H](C)NC(=O)COc2ccccc2)c2nc3ccccc3nc21 ZINC000003186838 569441408 /nfs/dbraw/zinc/44/14/08/569441408.db2.gz SODFYQHVQOIELR-OAHLLOKOSA-N 0 0 447.495 2.927 50 0 IFAARN Cc1ccc(-n2c(S[C@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)nc1 ZINC000057806622 569441639 /nfs/dbraw/zinc/44/16/39/569441639.db2.gz HABWEKRKOJHFOE-CYBMUJFWSA-N 0 0 434.529 2.776 50 0 IFAARN CC(=O)Nc1ccc2c(COC(=O)CCS(=O)(=O)c3ccc(F)cc3)cc(=O)oc2c1 ZINC000057818637 569441676 /nfs/dbraw/zinc/44/16/76/569441676.db2.gz OVWUWXNHWMRYEF-UHFFFAOYSA-N 0 0 447.440 2.798 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@H]1CCCc2ccccc21 ZINC000003235071 569442419 /nfs/dbraw/zinc/44/24/19/569442419.db2.gz RXYLSMLEEICBEB-QFIPXVFZSA-N 0 0 428.554 2.834 50 0 IFAARN Nn1c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nnc1-c1cccnc1 ZINC000003242758 569442647 /nfs/dbraw/zinc/44/26/47/569442647.db2.gz NVWTULKHVRHNSE-UHFFFAOYSA-N 0 0 429.815 2.852 50 0 IFAARN Cc1ccc2nc(NC(=O)COC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1 ZINC000003258566 569443142 /nfs/dbraw/zinc/44/31/42/569443142.db2.gz VEHLPGVJBHCVFD-UHFFFAOYSA-N 0 0 433.511 2.651 50 0 IFAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)N1CCOCC1 ZINC000003285209 569444075 /nfs/dbraw/zinc/44/40/75/569444075.db2.gz DOZMGSKQIDAWLW-UHFFFAOYSA-N 0 0 438.509 2.673 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000003290236 569444209 /nfs/dbraw/zinc/44/42/09/569444209.db2.gz IPYFAWZZMPSFKT-UHFFFAOYSA-N 0 0 428.963 2.652 50 0 IFAARN CC(C)(C)NC(=O)NC(=O)COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000003295486 569444675 /nfs/dbraw/zinc/44/46/75/569444675.db2.gz LIIFAYSYUSXOGU-UHFFFAOYSA-N 0 0 426.882 2.650 50 0 IFAARN CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000058009281 569444707 /nfs/dbraw/zinc/44/47/07/569444707.db2.gz CQHCPSWNPRKYIH-UHFFFAOYSA-N 0 0 433.530 2.726 50 0 IFAARN C/C=C/c1ccc(OC[C@@H](O)Cn2cnc3cc(OC)c(OC)cc3c2=O)c(OC)c1 ZINC000058010428 569444795 /nfs/dbraw/zinc/44/47/95/569444795.db2.gz HRCWOYBVCDNWJV-JFDDCEBESA-N 0 0 426.469 2.895 50 0 IFAARN O=C(OCCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000003306047 569445226 /nfs/dbraw/zinc/44/52/26/569445226.db2.gz NENIYOQNRWJZNV-KRWDZBQOSA-N 0 0 426.494 2.972 50 0 IFAARN O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N1CCc2ccccc21 ZINC000003314357 569445649 /nfs/dbraw/zinc/44/56/49/569445649.db2.gz UVXVUOSWPVLSCY-UHFFFAOYSA-N 0 0 446.500 2.746 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1F ZINC000003317800 569445794 /nfs/dbraw/zinc/44/57/94/569445794.db2.gz UOUYOKBEPWEXEC-UHFFFAOYSA-N 0 0 440.518 2.778 50 0 IFAARN COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)NCC(F)(F)F)cc1OC ZINC000003334625 569446574 /nfs/dbraw/zinc/44/65/74/569446574.db2.gz VPUQIULAPULGNQ-UHFFFAOYSA-N 0 0 446.403 2.853 50 0 IFAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 ZINC000058085880 569446938 /nfs/dbraw/zinc/44/69/38/569446938.db2.gz XRBSUBBULCVGMB-MOPGFXCFSA-N 0 0 435.981 2.542 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000003344127 569447046 /nfs/dbraw/zinc/44/70/46/569447046.db2.gz KZRGEFGFTGDLJN-UHFFFAOYSA-N 0 0 437.452 2.504 50 0 IFAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000003344420 569447060 /nfs/dbraw/zinc/44/70/60/569447060.db2.gz RLFJDWVOUWNKQN-UHFFFAOYSA-N 0 0 429.395 2.534 50 0 IFAARN COc1ccc(C(=O)N2CCN(Cc3cc(=O)oc4ccc(OC)cc34)CC2)c(OC)c1 ZINC000058092599 569447321 /nfs/dbraw/zinc/44/73/21/569447321.db2.gz ODMAKSXIFLXTFQ-UHFFFAOYSA-N 0 0 438.480 2.777 50 0 IFAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1cccc(I)c1 ZINC000003353648 569447551 /nfs/dbraw/zinc/44/75/51/569447551.db2.gz IUUFAVHYDPGVTO-UHFFFAOYSA-N 0 0 441.269 2.875 50 0 IFAARN CCN(CC(=O)NC(C)C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000003358364 569447766 /nfs/dbraw/zinc/44/77/66/569447766.db2.gz PPUYQDZWYBMIOA-UHFFFAOYSA-N 0 0 429.970 2.501 50 0 IFAARN O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(F)c1 ZINC000058136228 569448376 /nfs/dbraw/zinc/44/83/76/569448376.db2.gz YNCHIOYZFKBZGZ-HSZRJFAPSA-N 0 0 447.514 2.839 50 0 IFAARN O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)C(=O)Nc1ccccc1 ZINC000058136655 569448444 /nfs/dbraw/zinc/44/84/44/569448444.db2.gz WYOKPOMZYJYZIE-QHCPKHFHSA-N 0 0 447.514 2.839 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1cccnc1Cl ZINC000003372768 569448553 /nfs/dbraw/zinc/44/85/53/569448553.db2.gz KCYULLIYNBGFLZ-UHFFFAOYSA-N 0 0 439.811 2.920 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1ccc(Cl)cn1 ZINC000003372767 569448572 /nfs/dbraw/zinc/44/85/72/569448572.db2.gz GIIJWSNCDINJFQ-UHFFFAOYSA-N 0 0 439.811 2.920 50 0 IFAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)NCc1ccccc1Cl)C2=O ZINC000003382075 569448874 /nfs/dbraw/zinc/44/88/74/569448874.db2.gz QNHRQFZMDRNJFH-PEBXRYMYSA-N 0 0 449.935 2.636 50 0 IFAARN COc1ccc([C@H](NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1 ZINC000058157541 569449007 /nfs/dbraw/zinc/44/90/07/569449007.db2.gz PDWIFBGPAZIJLM-JOCHJYFZSA-N 0 0 425.510 2.660 50 0 IFAARN CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)CC(=O)Nc1ccc(F)c(F)c1F ZINC000003389983 569449167 /nfs/dbraw/zinc/44/91/67/569449167.db2.gz YHOPFMXWBLTDAT-UHFFFAOYSA-N 0 0 431.317 2.934 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c1 ZINC000003405146 569449887 /nfs/dbraw/zinc/44/98/87/569449887.db2.gz UQUXTECTOONVCI-UHFFFAOYSA-N 0 0 445.324 2.717 50 0 IFAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000030886834 569450377 /nfs/dbraw/zinc/45/03/77/569450377.db2.gz VHENPHRSUUGJOU-UHFFFAOYSA-N 0 0 448.394 2.998 50 0 IFAARN O=C(COC(=O)c1cc2c(s1)CCC2)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000003431260 569450855 /nfs/dbraw/zinc/45/08/55/569450855.db2.gz RXZQAWHNGSNLLE-QGZVFWFLSA-N 0 0 433.551 2.610 50 0 IFAARN COC(=O)c1cc(NC(=O)CSc2nc(-c3ccccc3)cn2N)cc(C(=O)OC)c1 ZINC000003431712 569450892 /nfs/dbraw/zinc/45/08/92/569450892.db2.gz ULFIHLZSUFISQZ-UHFFFAOYSA-N 0 0 440.481 2.568 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000003433728 569450934 /nfs/dbraw/zinc/45/09/34/569450934.db2.gz UBYQNOWZGFPWLT-UHFFFAOYSA-N 0 0 445.493 2.672 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)NC1CCCC1 ZINC000003433821 569450921 /nfs/dbraw/zinc/45/09/21/569450921.db2.gz DTFYIOZMMQOXCE-UHFFFAOYSA-N 0 0 442.537 2.649 50 0 IFAARN Cc1cc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)ccc1Br ZINC000003434838 569450980 /nfs/dbraw/zinc/45/09/80/569450980.db2.gz YRKVKMFEPWGPAC-UHFFFAOYSA-N 0 0 431.242 2.535 50 0 IFAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000003443035 569451273 /nfs/dbraw/zinc/45/12/73/569451273.db2.gz UALVXWHVMYZAFN-UHFFFAOYSA-N 0 0 444.444 2.794 50 0 IFAARN CCc1c(C)sc2nc(SCn3nnc4ccccc4c3=O)n(CCOC)c(=O)c12 ZINC000003443723 569451280 /nfs/dbraw/zinc/45/12/80/569451280.db2.gz AMBUGCQVOAOJPC-UHFFFAOYSA-N 0 0 443.554 2.830 50 0 IFAARN C[C@H]1CN(C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2N)C[C@H](C)O1 ZINC000003446184 569451409 /nfs/dbraw/zinc/45/14/09/569451409.db2.gz OMUXUCYRLSPZDL-STQMWFEESA-N 0 0 430.555 2.567 50 0 IFAARN COCCn1c(=O)c2c3c(sc2nc1SCc1cc(=O)n2ccsc2n1)CCC3 ZINC000003448528 569451507 /nfs/dbraw/zinc/45/15/07/569451507.db2.gz FHFYGHHCDGBQTG-UHFFFAOYSA-N 0 0 446.579 2.955 50 0 IFAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000003452359 569451699 /nfs/dbraw/zinc/45/16/99/569451699.db2.gz HSIKHUYIPOJJMD-UHFFFAOYSA-N 0 0 429.420 2.712 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1 ZINC000003456693 569451827 /nfs/dbraw/zinc/45/18/27/569451827.db2.gz PCFSXCVNUWVDOZ-JOCHJYFZSA-N 0 0 442.903 2.513 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(I)cc1)C2=O ZINC000003458022 569451854 /nfs/dbraw/zinc/45/18/54/569451854.db2.gz PEIQYBZMAODQTL-UHFFFAOYSA-N 0 0 441.269 2.730 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)C1=O ZINC000003461928 569451930 /nfs/dbraw/zinc/45/19/30/569451930.db2.gz SPSHCMZRXJQEQZ-JOCHJYFZSA-N 0 0 427.457 2.508 50 0 IFAARN COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217720923 569452086 /nfs/dbraw/zinc/45/20/86/569452086.db2.gz RYYGLFAIUCNCTN-INIZCTEOSA-N 0 0 447.484 2.749 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000003486273 569452411 /nfs/dbraw/zinc/45/24/11/569452411.db2.gz WFPYBOAPTDLYQC-UHFFFAOYSA-N 0 0 430.404 2.751 50 0 IFAARN COc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003486998 569452435 /nfs/dbraw/zinc/45/24/35/569452435.db2.gz DRBFPFBSYPAYKT-UHFFFAOYSA-N 0 0 446.550 2.544 50 0 IFAARN CCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccncc1 ZINC000003501699 569452856 /nfs/dbraw/zinc/45/28/56/569452856.db2.gz OUBWDCFYATWYFP-UHFFFAOYSA-N 0 0 440.485 2.572 50 0 IFAARN CSc1ccccc1NC(=O)CN(C)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000031042713 569452860 /nfs/dbraw/zinc/45/28/60/569452860.db2.gz KQJCYHHCBMVHIM-UHFFFAOYSA-N 0 0 430.549 2.767 50 0 IFAARN O=C(CSc1nnc2ccccn21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003505668 569452902 /nfs/dbraw/zinc/45/29/02/569452902.db2.gz NQBWVMLZJLFILT-UHFFFAOYSA-N 0 0 431.543 2.635 50 0 IFAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2I)C1=O ZINC000003519340 569453152 /nfs/dbraw/zinc/45/31/52/569453152.db2.gz HHQCBPFGEGDBPL-SFHVURJKSA-N 0 0 449.248 2.697 50 0 IFAARN CN(C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000003521157 569453246 /nfs/dbraw/zinc/45/32/46/569453246.db2.gz IRFXUXQZFFIADH-CQSZACIVSA-N 0 0 444.534 2.766 50 0 IFAARN CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000003534414 569453495 /nfs/dbraw/zinc/45/34/95/569453495.db2.gz QXVOUCOPGJZESM-UHFFFAOYSA-N 0 0 439.497 2.989 50 0 IFAARN CCOC(=O)C1=C(CN(CC)C[C@@H]2COc3ccccc3O2)NC(=O)N[C@@H]1c1ccco1 ZINC000031174333 569454326 /nfs/dbraw/zinc/45/43/26/569454326.db2.gz YSWNZHQCVSQGQW-QVKFZJNVSA-N 0 0 441.484 2.613 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)NCc1ccco1 ZINC000003600134 569454743 /nfs/dbraw/zinc/45/47/43/569454743.db2.gz NWSDMDYANPKBRS-UHFFFAOYSA-N 0 0 432.432 2.592 50 0 IFAARN COc1ccc(Br)c(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1 ZINC000031207697 569454793 /nfs/dbraw/zinc/45/47/93/569454793.db2.gz ZSMUCKBPRYSIRC-HNNXBMFYSA-N 0 0 438.366 2.617 50 0 IFAARN Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000003617921 569455079 /nfs/dbraw/zinc/45/50/79/569455079.db2.gz GSZWEFSGRANURM-KRWDZBQOSA-N 0 0 430.464 2.933 50 0 IFAARN COc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl ZINC000031246380 569455145 /nfs/dbraw/zinc/45/51/45/569455145.db2.gz NOZLZMRUWARMFE-UHFFFAOYSA-N 0 0 426.922 2.844 50 0 IFAARN O=C(OCc1c(F)cccc1Cl)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003620449 569455168 /nfs/dbraw/zinc/45/51/68/569455168.db2.gz NGCVKCYFERHMMZ-UHFFFAOYSA-N 0 0 431.844 2.996 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCCC4)nc3)C2)s1 ZINC000031316473 569455751 /nfs/dbraw/zinc/45/57/51/569455751.db2.gz PACDJMYCNPHZBU-SFHVURJKSA-N 0 0 448.614 2.769 50 0 IFAARN COc1cc(C(=O)NCc2cccnc2N2CCOCC2)cc(OC)c1Br ZINC000031328207 569455948 /nfs/dbraw/zinc/45/59/48/569455948.db2.gz MSUYLOVOYDYLQF-UHFFFAOYSA-N 0 0 436.306 2.628 50 0 IFAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000031473977 569456488 /nfs/dbraw/zinc/45/64/88/569456488.db2.gz NCHAIDXPZUHXMQ-XMMPIXPASA-N 0 0 432.480 2.516 50 0 IFAARN C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000031699985 569457074 /nfs/dbraw/zinc/45/70/74/569457074.db2.gz GSBREPFDOXFXCF-AWEZNQCLSA-N 0 0 425.348 2.990 50 0 IFAARN Cc1ccccc1-c1noc(CN2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)n1 ZINC000031784086 569457393 /nfs/dbraw/zinc/45/73/93/569457393.db2.gz PZHHFNDGPQOSJF-UHFFFAOYSA-N 0 0 435.315 2.684 50 0 IFAARN CCOC(=O)C1=C(Cn2cnc3ccsc3c2=O)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000031788914 569457415 /nfs/dbraw/zinc/45/74/15/569457415.db2.gz YQINHWJCGKZMRP-MRXNPFEDSA-N 0 0 444.900 2.983 50 0 IFAARN C[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)c1nc(N)nc(N(C)C)n1 ZINC000031804989 569457509 /nfs/dbraw/zinc/45/75/09/569457509.db2.gz GIUUPJMFIKHCKX-VIFPVBQESA-N 0 0 443.924 2.861 50 0 IFAARN COc1ccc(OC)c([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)c1 ZINC000031806781 569457524 /nfs/dbraw/zinc/45/75/24/569457524.db2.gz QDSLVSSWSCCSFF-KRWDZBQOSA-N 0 0 437.485 2.639 50 0 IFAARN CC(=O)NCCc1ccc(C(=O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)cc1F ZINC000059009375 569458502 /nfs/dbraw/zinc/45/85/02/569458502.db2.gz NZFVQRPLLSMWBG-ZDUSSCGKSA-N 0 0 429.423 2.683 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3-n3cccc3)CC2)cc1 ZINC000032069482 569459131 /nfs/dbraw/zinc/45/91/31/569459131.db2.gz VUBMCCDIKMTERE-UHFFFAOYSA-N 0 0 425.510 2.633 50 0 IFAARN O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(Br)cc1F ZINC000032071885 569459221 /nfs/dbraw/zinc/45/92/21/569459221.db2.gz ICYSWCNDXYPZPL-LBPRGKRZSA-N 0 0 434.265 2.696 50 0 IFAARN O=C(c1cc(F)ccc1-n1cccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000032074988 569459395 /nfs/dbraw/zinc/45/93/95/569459395.db2.gz SPZWOWCHZOAABI-UHFFFAOYSA-N 0 0 431.464 2.902 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Br)ccc2-n2cccc2)cc1 ZINC000032102401 569460110 /nfs/dbraw/zinc/46/01/10/569460110.db2.gz WCTJRIGMBLMXNF-UHFFFAOYSA-N 0 0 448.342 2.860 50 0 IFAARN CCCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1 ZINC000059248378 569460580 /nfs/dbraw/zinc/46/05/80/569460580.db2.gz RNGIOPLOAXMDJG-JOCHJYFZSA-N 0 0 428.510 2.693 50 0 IFAARN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)C3CC3)CC2)C1=O)Nc1ccccc1 ZINC000004188930 569460817 /nfs/dbraw/zinc/46/08/17/569460817.db2.gz DHWRQFYPNNNUHT-UHFFFAOYSA-N 0 0 432.524 2.703 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]3C=CC=NN23)cc1 ZINC000229678294 569461303 /nfs/dbraw/zinc/46/13/03/569461303.db2.gz BNQWFBYQJUWALC-NMLBUPMWSA-N 0 0 435.867 2.946 50 0 IFAARN O=C(NCc1ccc(N2CCOCC2)nc1)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000032459368 569461811 /nfs/dbraw/zinc/46/18/11/569461811.db2.gz JXDDOGVKYCBDGS-UHFFFAOYSA-N 0 0 446.486 2.964 50 0 IFAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1C ZINC000008133060 569462216 /nfs/dbraw/zinc/46/22/16/569462216.db2.gz ABKNJUYHOXECBU-IQMFZBJNSA-N 0 0 425.485 2.725 50 0 IFAARN COc1ccc([C@H]2C[C@@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)[O-])=NC3=[NH+]2)cc1 ZINC000038180689 569462344 /nfs/dbraw/zinc/46/23/44/569462344.db2.gz WOVVFJRUWZRHOV-MOPGFXCFSA-N 0 0 435.484 2.785 50 0 IFAARN CCOc1cc2c(cc1CNC(=O)CN1C(=O)NC3(CCC(C)CC3)C1=O)O[C@@H](C)C2 ZINC000008273289 569462467 /nfs/dbraw/zinc/46/24/67/569462467.db2.gz QPSRWHUZSLSUPG-VZSHHBOJSA-N 0 0 429.517 2.526 50 0 IFAARN CCOc1cc2c(cc1CNC(=O)CN1C(=O)NC3(CCC(C)CC3)C1=O)O[C@H](C)C2 ZINC000008273280 569462523 /nfs/dbraw/zinc/46/25/23/569462523.db2.gz QPSRWHUZSLSUPG-UVOCGCJZSA-N 0 0 429.517 2.526 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000038565401 569464057 /nfs/dbraw/zinc/46/40/57/569464057.db2.gz SKVBSOAZLNQDKE-INIZCTEOSA-N 0 0 444.531 2.986 50 0 IFAARN COc1ccccc1-n1c(O)c2c(C(C)=O)nn(-c3ccc(Br)cc3)c2c1O ZINC000008424503 569464138 /nfs/dbraw/zinc/46/41/38/569464138.db2.gz SJBCFKTVGHHJJO-FUHWJXTLSA-N 0 0 442.269 2.781 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204892 569464513 /nfs/dbraw/zinc/46/45/13/569464513.db2.gz BRAUZWGWEHHWDU-NRFANRHFSA-N 0 0 442.466 2.568 50 0 IFAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N(C)c2ccccc2)c1=O ZINC000067205519 569464558 /nfs/dbraw/zinc/46/45/58/569464558.db2.gz BMUSNRPPHWBUDY-UHFFFAOYSA-N 0 0 435.505 2.945 50 0 IFAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4cccc(Cl)c4C)c(=O)c3s2)CC1 ZINC000067225926 569465239 /nfs/dbraw/zinc/46/52/39/569465239.db2.gz FBQAZGMNWARCCQ-UHFFFAOYSA-N 0 0 446.964 2.595 50 0 IFAARN Cn1cc(-c2ccccc2)c2c1c(=O)n(C)c(=O)n2CC(=O)NCc1ccccc1Cl ZINC000067235210 569465331 /nfs/dbraw/zinc/46/53/31/569465331.db2.gz XEXIMYNOKMVXHC-UHFFFAOYSA-N 0 0 436.899 2.676 50 0 IFAARN COc1cccc(-c2cn(C)c3c2ncn(CC(=O)Nc2ccc4c(c2)OCO4)c3=O)c1 ZINC000067235623 569465393 /nfs/dbraw/zinc/46/53/93/569465393.db2.gz RKJVEKNQHKRBKX-UHFFFAOYSA-N 0 0 432.436 2.778 50 0 IFAARN COc1cccc(-c2cn(C)c3c2ncn(CC(=O)Nc2ccc4c(c2)OCCO4)c3=O)c1 ZINC000067235642 569465396 /nfs/dbraw/zinc/46/53/96/569465396.db2.gz HERMQORPUCRMDZ-UHFFFAOYSA-N 0 0 446.463 2.821 50 0 IFAARN COc1cccc(CNC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)c1 ZINC000067255656 569466061 /nfs/dbraw/zinc/46/60/61/569466061.db2.gz QRQHOEYRUZAQDF-UHFFFAOYSA-N 0 0 449.536 2.984 50 0 IFAARN O=c1nc2nc(N3CC=C(c4ccccc4)CC3)[nH]cc-2c(=O)n1-c1ccc2c(c1)OCO2 ZINC000067262762 569466676 /nfs/dbraw/zinc/46/66/76/569466676.db2.gz NSYQTKLELUNEFJ-UHFFFAOYSA-N 0 0 441.447 2.904 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)CC1 ZINC000067262918 569466692 /nfs/dbraw/zinc/46/66/92/569466692.db2.gz LANWOUZHLPDDCJ-UHFFFAOYSA-N 0 0 440.891 2.897 50 0 IFAARN COc1ccc(-c2cc3c(N4CCN(C(=O)c5ccco5)CC4)nccn3n2)cc1OC ZINC000067285382 569466783 /nfs/dbraw/zinc/46/67/83/569466783.db2.gz ZCVVCWGEQMDFFI-UHFFFAOYSA-N 0 0 433.468 2.969 50 0 IFAARN COc1ccccc1CN1CCc2nc(SCC(=O)NC3CCCC3)[nH]c(=O)c2C1 ZINC000067291281 569467663 /nfs/dbraw/zinc/46/76/63/569467663.db2.gz GZSSMPXMLHVNDP-UHFFFAOYSA-N 0 0 428.558 2.900 50 0 IFAARN CCOc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(F)cc2)cc1 ZINC000067300820 569468245 /nfs/dbraw/zinc/46/82/45/569468245.db2.gz BMKSNJBRWDESGT-UHFFFAOYSA-N 0 0 425.460 2.930 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O ZINC000067317026 569468444 /nfs/dbraw/zinc/46/84/44/569468444.db2.gz FODOCJZHUOBRAE-MRXNPFEDSA-N 0 0 425.558 2.981 50 0 IFAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc4c(c3)OCCO4)c2C)cc1 ZINC000067322506 569468657 /nfs/dbraw/zinc/46/86/57/569468657.db2.gz UGRDXWSRYJEUHF-UHFFFAOYSA-N 0 0 437.456 2.647 50 0 IFAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)cc1OC ZINC000067322884 569468713 /nfs/dbraw/zinc/46/87/13/569468713.db2.gz SLDBGOBLANFCGX-UHFFFAOYSA-N 0 0 427.436 2.942 50 0 IFAARN Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000067336472 569468956 /nfs/dbraw/zinc/46/89/56/569468956.db2.gz RKKRLRCSQHPWEB-UHFFFAOYSA-N 0 0 441.898 2.503 50 0 IFAARN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(Br)cc1)O2 ZINC000038834031 569469217 /nfs/dbraw/zinc/46/92/17/569469217.db2.gz YYDINQYYXCKZHV-MRXNPFEDSA-N 0 0 425.304 2.923 50 0 IFAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 ZINC000008643955 569469610 /nfs/dbraw/zinc/46/96/10/569469610.db2.gz RQONXXPOOPQRLI-XMMPIXPASA-N 0 0 436.512 2.883 50 0 IFAARN COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000008708319 569470649 /nfs/dbraw/zinc/47/06/49/569470649.db2.gz CPJNDXPRQYSZQY-SNVBAGLBSA-N 0 0 438.406 2.626 50 0 IFAARN CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@H]1C ZINC000008718570 569471331 /nfs/dbraw/zinc/47/13/31/569471331.db2.gz YRKKQKUSBSUXPP-NSHDSACASA-N 0 0 442.476 2.565 50 0 IFAARN Cc1nc(S[C@H](C)C(=O)Nc2ccc(F)cc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000008719668 569471451 /nfs/dbraw/zinc/47/14/51/569471451.db2.gz PDQWDIGVCGKIMW-GFCCVEGCSA-N 0 0 445.520 2.713 50 0 IFAARN CCc1cccc2c(C(=O)[C@@H](c3ccccc3)n3cnc4c3c(=O)n(C)c(=O)n4C)c[nH]c21 ZINC000008719962 569471523 /nfs/dbraw/zinc/47/15/23/569471523.db2.gz GZKFFMLPUJTUSA-HXUWFJFHSA-N 0 0 441.491 2.950 50 0 IFAARN COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008723891 569471879 /nfs/dbraw/zinc/47/18/79/569471879.db2.gz NWPCHTRRPRIVKN-UHFFFAOYSA-N 0 0 444.553 2.931 50 0 IFAARN CC[C@@H](C)N(C(=O)CSc1nccn1-c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008724632 569472008 /nfs/dbraw/zinc/47/20/08/569472008.db2.gz PWWDVAATYKOJJK-RHSMWYFYSA-N 0 0 425.551 2.918 50 0 IFAARN CC[C@@H](C)N(C(=O)CSc1nccn1-c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008724634 569472017 /nfs/dbraw/zinc/47/20/17/569472017.db2.gz PWWDVAATYKOJJK-PBHICJAKSA-N 0 0 425.551 2.918 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC1(c3ccccc3)CC1)n2C ZINC000008724784 569472092 /nfs/dbraw/zinc/47/20/92/569472092.db2.gz JWXCXMLPMXOYSD-UHFFFAOYSA-N 0 0 440.569 2.604 50 0 IFAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000008728252 569472439 /nfs/dbraw/zinc/47/24/39/569472439.db2.gz YPMQVUFRJJZNGO-LJQANCHMSA-N 0 0 443.525 2.523 50 0 IFAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000008744909 569473067 /nfs/dbraw/zinc/47/30/67/569473067.db2.gz OPCQLMDHSQQFBL-UHFFFAOYSA-N 0 0 427.512 2.849 50 0 IFAARN O=C(CN1CCc2sccc2[C@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008747952 569473157 /nfs/dbraw/zinc/47/31/57/569473157.db2.gz XGLQNXSWLWHGFO-JOCHJYFZSA-N 0 0 445.610 2.590 50 0 IFAARN COc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc(OC)c1 ZINC000008748560 569473229 /nfs/dbraw/zinc/47/32/29/569473229.db2.gz MDUIGKITOMQHBN-HUUCEWRRSA-N 0 0 434.514 2.754 50 0 IFAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccc(N2CCCC2=O)c1 ZINC000008751207 569473411 /nfs/dbraw/zinc/47/34/11/569473411.db2.gz ONJVCMBLEAJFEP-HXUWFJFHSA-N 0 0 430.464 2.641 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)C1=O ZINC000008754765 569473872 /nfs/dbraw/zinc/47/38/72/569473872.db2.gz UQIUBLSZUPKZOD-HYBUGGRVSA-N 0 0 437.496 2.833 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000008764755 569474686 /nfs/dbraw/zinc/47/46/86/569474686.db2.gz PLIQNQNTFANDOK-UHFFFAOYSA-N 0 0 427.457 2.529 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)Nc1ccc3c(c1)OCCO3)CC2 ZINC000008764712 569474693 /nfs/dbraw/zinc/47/46/93/569474693.db2.gz KAGCJKBDGPSECX-UHFFFAOYSA-N 0 0 441.484 2.572 50 0 IFAARN CC(=O)N[C@@H]1[C@@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc2ccccc2c1 ZINC000008765293 569474723 /nfs/dbraw/zinc/47/47/23/569474723.db2.gz XCMZMJFBJIDKSB-VRVGQERDSA-N 0 0 435.476 2.923 50 0 IFAARN CN(C(=O)CSc1nnnn1C(C)(C)C)c1ccccc1C(=O)NCc1ccco1 ZINC000008777532 569475389 /nfs/dbraw/zinc/47/53/89/569475389.db2.gz MPKZOEYMUHJMRU-UHFFFAOYSA-N 0 0 428.518 2.706 50 0 IFAARN O=C(NCCCn1cnc2ccccc21)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000008777564 569475474 /nfs/dbraw/zinc/47/54/74/569475474.db2.gz JZGKIMPXNBZKPI-HXUWFJFHSA-N 0 0 430.505 2.535 50 0 IFAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NCCc1ccc(Cl)cc1Cl ZINC000008780325 569475613 /nfs/dbraw/zinc/47/56/13/569475613.db2.gz BEPHKSQGWPJAHR-LBPRGKRZSA-N 0 0 442.368 2.751 50 0 IFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NC[C@H](C)O)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008789334 569475947 /nfs/dbraw/zinc/47/59/47/569475947.db2.gz FCRZZSUGYDONBZ-UGSOOPFHSA-N 0 0 442.512 2.656 50 0 IFAARN Cc1sc2nc([C@H](C)OC(=O)CCNS(=O)(=O)c3ccccc3)[nH]c(=O)c2c1C ZINC000008825331 569477358 /nfs/dbraw/zinc/47/73/58/569477358.db2.gz NRTIHPLAZJHZPQ-LBPRGKRZSA-N 0 0 435.527 2.574 50 0 IFAARN O=S(=O)(NCCc1nc2ccccc2n1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000008834526 569477874 /nfs/dbraw/zinc/47/78/74/569477874.db2.gz IZGRTQGVRKHBHC-UHFFFAOYSA-N 0 0 441.534 2.794 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1cc(Br)ccc1N(CC(C)C)C2=O ZINC000008843716 569478464 /nfs/dbraw/zinc/47/84/64/569478464.db2.gz YHEJRLRWACPDST-KRWDZBQOSA-N 0 0 439.335 2.607 50 0 IFAARN CCOc1ccccc1CN1c2ccccc2[C@@]2(SC(NC(C)=O)=NN2C(C)=O)C1=O ZINC000008843719 569478484 /nfs/dbraw/zinc/47/84/84/569478484.db2.gz OBLPHFXFPBSWCN-JOCHJYFZSA-N 0 0 438.509 2.787 50 0 IFAARN COc1ccc(OCC(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1 ZINC000008843365 569478494 /nfs/dbraw/zinc/47/84/94/569478494.db2.gz GZLZRZLOLFEFII-UHFFFAOYSA-N 0 0 430.526 2.884 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000008844167 569478555 /nfs/dbraw/zinc/47/85/55/569478555.db2.gz FQFYABWSKVEUKC-GFCCVEGCSA-N 0 0 426.498 2.793 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1cccc(C)c1N(CCOc1ccccc1)C2=O ZINC000008843752 569478568 /nfs/dbraw/zinc/47/85/68/569478568.db2.gz WWLGUTRLXGRADC-QFIPXVFZSA-N 0 0 438.509 2.576 50 0 IFAARN O=C(Cn1ncc(=O)c2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000008855791 569479731 /nfs/dbraw/zinc/47/97/31/569479731.db2.gz VTSPCWPVPSWBHP-UHFFFAOYSA-N 0 0 440.525 2.600 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)C[C@H](C)O1 ZINC000008868043 569480318 /nfs/dbraw/zinc/48/03/18/569480318.db2.gz VHROSZQMKWDODV-GJZGRUSLSA-N 0 0 442.493 2.843 50 0 IFAARN Cc1cc(O[C@H](C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(C)cc(=O)oc2c1 ZINC000008879210 569481321 /nfs/dbraw/zinc/48/13/21/569481321.db2.gz NIYUNFSVJZLKDB-KURKYZTESA-N 0 0 434.492 2.985 50 0 IFAARN O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)OCC(=O)N1CCCC1 ZINC000039476111 569481632 /nfs/dbraw/zinc/48/16/32/569481632.db2.gz OPFKCJWSJWVDIM-UHFFFAOYSA-N 0 0 433.508 2.737 50 0 IFAARN CN(Cc1ccco1)C(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000039582172 569481798 /nfs/dbraw/zinc/48/17/98/569481798.db2.gz QNNOKZYHGSWSAH-UHFFFAOYSA-N 0 0 428.466 2.896 50 0 IFAARN COc1ccc(CN2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1OC ZINC000039978300 569482232 /nfs/dbraw/zinc/48/22/32/569482232.db2.gz RNXXQKHGXUJPJA-UHFFFAOYSA-N 0 0 428.920 2.912 50 0 IFAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)[C@H]2c2cccs2)cc1 ZINC000039998359 569482433 /nfs/dbraw/zinc/48/24/33/569482433.db2.gz FETRFZDGWQDFIA-SYNHAJSKSA-N 0 0 432.567 2.844 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000040018286 569482675 /nfs/dbraw/zinc/48/26/75/569482675.db2.gz MQZDLXZGZNEHEY-FQEVSTJZSA-N 0 0 441.915 2.999 50 0 IFAARN O=C(OCn1nnc2ccccc2c1=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000008881510 569482854 /nfs/dbraw/zinc/48/28/54/569482854.db2.gz VKPPIKOXRGKMTP-UHFFFAOYSA-N 0 0 443.415 2.608 50 0 IFAARN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008882866 569482977 /nfs/dbraw/zinc/48/29/77/569482977.db2.gz ZJACGBMMGVKYGS-JOCHJYFZSA-N 0 0 444.553 2.532 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000008883219 569482981 /nfs/dbraw/zinc/48/29/81/569482981.db2.gz XKKVMMCGZZHTLH-LJQANCHMSA-N 0 0 430.526 2.798 50 0 IFAARN COCCNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C ZINC000008886852 569483209 /nfs/dbraw/zinc/48/32/09/569483209.db2.gz BDLWWTCIAOLVEV-GDBMZVCRSA-N 0 0 432.550 2.656 50 0 IFAARN Cc1nn(C)c2ncc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc12 ZINC000040040248 569483407 /nfs/dbraw/zinc/48/34/07/569483407.db2.gz SHLGXSSBLVUNJB-UHFFFAOYSA-N 0 0 427.530 2.633 50 0 IFAARN O=C(CSc1nnc(Cc2ccccc2)o1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008894792 569483754 /nfs/dbraw/zinc/48/37/54/569483754.db2.gz CPZJSSLSSILIIS-GOSISDBHSA-N 0 0 443.550 2.973 50 0 IFAARN CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCOCC3)nc2)cc1 ZINC000040049412 569483847 /nfs/dbraw/zinc/48/38/47/569483847.db2.gz ITDBLRNFRLTREI-MRXNPFEDSA-N 0 0 441.484 2.667 50 0 IFAARN C[C@@H](NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc2ccccc2c1 ZINC000008899077 569484033 /nfs/dbraw/zinc/48/40/33/569484033.db2.gz JGVZKFOEXMQTDJ-QGZVFWFLSA-N 0 0 439.537 2.663 50 0 IFAARN O=C(NCc1cccnc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000008900341 569484071 /nfs/dbraw/zinc/48/40/71/569484071.db2.gz XJSDZRFTKYCYEF-UHFFFAOYSA-N 0 0 439.493 2.974 50 0 IFAARN O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000040052211 569484565 /nfs/dbraw/zinc/48/45/65/569484565.db2.gz FOIMAVGVVQREIB-RTBURBONSA-N 0 0 427.501 2.734 50 0 IFAARN CCCc1cc(=O)[nH]c(SCC2=C(C(=O)OCC)[C@@H](c3ccc(C)o3)NC(=O)N2)n1 ZINC000040058052 569484577 /nfs/dbraw/zinc/48/45/77/569484577.db2.gz VNONWCDLWPOGNK-QGZVFWFLSA-N 0 0 432.502 2.587 50 0 IFAARN CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C)nc1 ZINC000040059935 569484824 /nfs/dbraw/zinc/48/48/24/569484824.db2.gz VACDJAIJHXXFBD-UHFFFAOYSA-N 0 0 432.546 2.875 50 0 IFAARN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1nc2nccc(C)n2n1 ZINC000040059973 569484828 /nfs/dbraw/zinc/48/48/28/569484828.db2.gz GDCFWWZGVSHSTF-UHFFFAOYSA-N 0 0 445.549 2.537 50 0 IFAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c1OC ZINC000008911599 569484913 /nfs/dbraw/zinc/48/49/13/569484913.db2.gz QMDORWDUDYCLLJ-MRXNPFEDSA-N 0 0 427.530 2.879 50 0 IFAARN O=c1n(Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)nnn1-c1ccccc1Cl ZINC000040068613 569485152 /nfs/dbraw/zinc/48/51/52/569485152.db2.gz TWVAHSMNJJVYLV-UHFFFAOYSA-N 0 0 448.845 2.969 50 0 IFAARN O=S(=O)(N1CCOCC1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000040072326 569485839 /nfs/dbraw/zinc/48/58/39/569485839.db2.gz RMIBKBVNYMEGQI-UHFFFAOYSA-N 0 0 442.006 2.763 50 0 IFAARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000040071663 569485841 /nfs/dbraw/zinc/48/58/41/569485841.db2.gz RETFYMYXFXCULV-LBPRGKRZSA-N 0 0 449.433 2.607 50 0 IFAARN COc1ccc(NC(=O)NC(=O)COC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1 ZINC000040072812 569486020 /nfs/dbraw/zinc/48/60/20/569486020.db2.gz AJOZYZFEJYSPFK-UHFFFAOYSA-N 0 0 437.456 2.904 50 0 IFAARN COCCN1CC(=O)N2[C@H](c3cc(OC)ccc3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000008917913 569486131 /nfs/dbraw/zinc/48/61/31/569486131.db2.gz OHRTXOUWZJACSY-GBXCKJPGSA-N 0 0 449.507 2.516 50 0 IFAARN CCCn1nc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)c2ccccc2c1=O ZINC000040082426 569486641 /nfs/dbraw/zinc/48/66/41/569486641.db2.gz KKXNAZJGOYGENB-UHFFFAOYSA-N 0 0 438.484 2.778 50 0 IFAARN CC1(C)NC(=O)N(CCCSc2nnc(N3CCCCC3)n2Cc2ccco2)C1=O ZINC000040089699 569487148 /nfs/dbraw/zinc/48/71/48/569487148.db2.gz JOKAEGIWGYHFBX-UHFFFAOYSA-N 0 0 432.550 2.722 50 0 IFAARN CC(C)C[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000008924857 569487166 /nfs/dbraw/zinc/48/71/66/569487166.db2.gz AMDKBGAYUPCYEF-MGPUTAFESA-N 0 0 442.537 2.978 50 0 IFAARN NC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008928323 569487401 /nfs/dbraw/zinc/48/74/01/569487401.db2.gz PZWUHFAYVLUBDC-OAHLLOKOSA-N 0 0 447.900 2.977 50 0 IFAARN O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)N1CCOCC1 ZINC000008933539 569487815 /nfs/dbraw/zinc/48/78/15/569487815.db2.gz VHAMSDCAJBWSBR-UHFFFAOYSA-N 0 0 436.899 2.912 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008934399 569487994 /nfs/dbraw/zinc/48/79/94/569487994.db2.gz VRSXHTMMEJTFKP-GTENMVSRSA-N 0 0 426.444 2.686 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 ZINC000008940023 569488278 /nfs/dbraw/zinc/48/82/78/569488278.db2.gz JLVRPPDFDPHHFA-NBGIEHNGSA-N 0 0 449.507 2.761 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000040105680 569488287 /nfs/dbraw/zinc/48/82/87/569488287.db2.gz ZATRXEIVFJODQG-OAHLLOKOSA-N 0 0 431.436 2.952 50 0 IFAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1cccc(OC)c1OC ZINC000008940403 569488323 /nfs/dbraw/zinc/48/83/23/569488323.db2.gz VOLJUGQYTPNJCN-UHFFFAOYSA-N 0 0 430.534 2.817 50 0 IFAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(OC)cc1OC ZINC000008940389 569488383 /nfs/dbraw/zinc/48/83/83/569488383.db2.gz PMQCFMDZDKXTHU-UHFFFAOYSA-N 0 0 430.534 2.817 50 0 IFAARN CCN1C(=O)C2(Cc3c(C)nn(-c4ccccc4)c3N3CCC[C@@H]32)C(=O)N(CC)C1=S ZINC000008941527 569488607 /nfs/dbraw/zinc/48/86/07/569488607.db2.gz BOYLAFXAPAQVRU-GOSISDBHSA-N 0 0 437.569 2.688 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1C ZINC000008944384 569488908 /nfs/dbraw/zinc/48/89/08/569488908.db2.gz ORBZOEKOOQGOTM-MRXNPFEDSA-N 0 0 443.500 2.759 50 0 IFAARN CCSc1nc2c(cnn2CCNC(=O)c2ccc3c(c2)OCO3)c(NC(C)C)n1 ZINC000008948433 569489175 /nfs/dbraw/zinc/48/91/75/569489175.db2.gz XGWOAAPMJHQFQP-UHFFFAOYSA-N 0 0 428.518 2.917 50 0 IFAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)NC1CCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 ZINC000040134441 569490567 /nfs/dbraw/zinc/49/05/67/569490567.db2.gz UPCCZQSAXWKURL-RDTXWAMCSA-N 0 0 428.480 2.639 50 0 IFAARN CC(C)c1nc2c3ccccc3n(CC(=O)Nc3ccc(N4CCOCC4)cc3)c(=O)n2n1 ZINC000040139308 569490816 /nfs/dbraw/zinc/49/08/16/569490816.db2.gz TYLOFUYOZKSCJQ-UHFFFAOYSA-N 0 0 446.511 2.643 50 0 IFAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCCCN1CCCC1=O ZINC000008965346 569491446 /nfs/dbraw/zinc/49/14/46/569491446.db2.gz YJLGWUDKPYTMMK-UHFFFAOYSA-N 0 0 449.555 2.713 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(I)c(C(=O)Nc2ccc(F)cc2)c1 ZINC000040140096 569491522 /nfs/dbraw/zinc/49/15/22/569491522.db2.gz QNEUYXPEQMMOMB-UHFFFAOYSA-N 0 0 448.257 2.933 50 0 IFAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)c(-n2cnnn2)cc1OC ZINC000040141058 569491666 /nfs/dbraw/zinc/49/16/66/569491666.db2.gz KHVKYLZMAMBPOE-UHFFFAOYSA-N 0 0 429.864 2.758 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC[C@H](C)Cn3nc(C)cc3C)CC2)c1 ZINC000040142473 569491860 /nfs/dbraw/zinc/49/18/60/569491860.db2.gz GZEBWNUMOYLFDP-INIZCTEOSA-N 0 0 442.560 2.822 50 0 IFAARN C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C[C@H](C)O1 ZINC000040145610 569492171 /nfs/dbraw/zinc/49/21/71/569492171.db2.gz YCTQVVINJPXNKT-CALCHBBNSA-N 0 0 447.557 2.926 50 0 IFAARN C[C@@H]1CN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)o3)cc2F)C[C@H](C)O1 ZINC000040145486 569492187 /nfs/dbraw/zinc/49/21/87/569492187.db2.gz NHGZRTHVBQWCPJ-BETUJISGSA-N 0 0 425.482 2.535 50 0 IFAARN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000040146795 569492378 /nfs/dbraw/zinc/49/23/78/569492378.db2.gz SGACVXOFSUNKNR-LJQANCHMSA-N 0 0 431.964 2.957 50 0 IFAARN O=C(CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1)NCc1ccccc1Cl ZINC000040149575 569492556 /nfs/dbraw/zinc/49/25/56/569492556.db2.gz AVTFEFPILPLWIQ-UHFFFAOYSA-N 0 0 425.916 2.964 50 0 IFAARN CCCN(CCC)S(=O)(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000040149780 569492634 /nfs/dbraw/zinc/49/26/34/569492634.db2.gz IJDDXDYDFBWDST-UHFFFAOYSA-N 0 0 441.985 2.874 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@H]4c2ccccc2O)n(C)c(=O)n(C)c3=O)cc1 ZINC000008972034 569492725 /nfs/dbraw/zinc/49/27/25/569492725.db2.gz VRISDNOVBZZIIK-QFIPXVFZSA-N 0 0 433.464 2.540 50 0 IFAARN COCCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)Nc1cccc(C)c1 ZINC000040152128 569493427 /nfs/dbraw/zinc/49/34/27/569493427.db2.gz WNTAXVWIPWNSQE-UHFFFAOYSA-N 0 0 428.514 2.621 50 0 IFAARN COC(=O)c1cnc(N[C@H](C)c2cc(C)sc2C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000040153585 569493614 /nfs/dbraw/zinc/49/36/14/569493614.db2.gz PYLKYBGFVCAXNA-CYBMUJFWSA-N 0 0 439.559 2.741 50 0 IFAARN COc1cc(-c2ccccc2)sc1C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000040154283 569493760 /nfs/dbraw/zinc/49/37/60/569493760.db2.gz UTTNCGVDGIVAMT-GASCZTMLSA-N 0 0 438.571 2.593 50 0 IFAARN Cc1ccc(CNC(=O)C2CCN(C(=O)CCS(=O)(=O)C3CCCC3)CC2)cc1F ZINC000040154754 569493861 /nfs/dbraw/zinc/49/38/61/569493861.db2.gz HKFJHNWQZMNJDE-UHFFFAOYSA-N 0 0 438.565 2.736 50 0 IFAARN Cc1cc2nc(N3CCN(S(=O)(=O)c4cc(C)ccc4O)CC3)c3ccccc3n2n1 ZINC000040155553 569493963 /nfs/dbraw/zinc/49/39/63/569493963.db2.gz COMLWLDSFOHOGV-UHFFFAOYSA-N 0 0 437.525 2.716 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC000040156349 569494102 /nfs/dbraw/zinc/49/41/02/569494102.db2.gz ZAXGAOKXBYGWSP-QGZVFWFLSA-N 0 0 446.548 2.518 50 0 IFAARN O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000040157501 569494323 /nfs/dbraw/zinc/49/43/23/569494323.db2.gz HIMBRWITAPIPFW-UHFFFAOYSA-N 0 0 447.539 2.522 50 0 IFAARN COc1ccccc1NC(=O)Cc1noc(CSc2nnc(-c3cccs3)n2N)n1 ZINC000008982733 569494528 /nfs/dbraw/zinc/49/45/28/569494528.db2.gz WOOPJWWQBAALOP-UHFFFAOYSA-N 0 0 443.514 2.586 50 0 IFAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000040159116 569494660 /nfs/dbraw/zinc/49/46/60/569494660.db2.gz AYXMUKNHXZBMML-QWHCGFSZSA-N 0 0 440.905 2.586 50 0 IFAARN Cc1cc(C)c(NC(=O)CNC(=O)CN(C)CC(=O)Nc2ccccc2Cl)c(C)c1 ZINC000008984537 569494768 /nfs/dbraw/zinc/49/47/68/569494768.db2.gz XCAWCFLFAHHSMS-UHFFFAOYSA-N 0 0 430.936 2.890 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1C ZINC000040160238 569495079 /nfs/dbraw/zinc/49/50/79/569495079.db2.gz GOFYFZJINXNRDU-UHFFFAOYSA-N 0 0 426.542 2.715 50 0 IFAARN Cc1c(C)n(-c2ccc(Br)cn2)c2ncn(CCCN3CCOCC3)c(=N)c12 ZINC000008991397 569495233 /nfs/dbraw/zinc/49/52/33/569495233.db2.gz NDWQPWRUQRUYEI-UHFFFAOYSA-N 0 0 445.365 2.803 50 0 IFAARN CC(C)c1ccc(NC(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000008991383 569495243 /nfs/dbraw/zinc/49/52/43/569495243.db2.gz KAUNYUBSXBAJDQ-LJQANCHMSA-N 0 0 443.569 2.966 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccccc2)cc1 ZINC000009005286 569496131 /nfs/dbraw/zinc/49/61/31/569496131.db2.gz HEGPVUKPHYLKFC-HXUWFJFHSA-N 0 0 432.523 2.584 50 0 IFAARN CS(=O)(=O)Nc1cccc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)c1 ZINC000244942677 569496471 /nfs/dbraw/zinc/49/64/71/569496471.db2.gz CUPHKGOIXUMZLY-UHFFFAOYSA-N 0 0 425.894 2.917 50 0 IFAARN C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000009012606 569496589 /nfs/dbraw/zinc/49/65/89/569496589.db2.gz QASJTJYSEODCGD-LLVKDONJSA-N 0 0 446.312 2.627 50 0 IFAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCc3ccc(F)cc3)cc21 ZINC000040450166 569506246 /nfs/dbraw/zinc/50/62/46/569506246.db2.gz NDPYTRJXRULOTO-UHFFFAOYSA-N 0 0 427.295 2.976 50 0 IFAARN O=C(CCn1cnc2ccccc21)NCCn1cc(-c2nc(-c3ccsc3)no2)nn1 ZINC000244986284 569496812 /nfs/dbraw/zinc/49/68/12/569496812.db2.gz JNZWKOHVSFQPHH-UHFFFAOYSA-N 0 0 434.485 2.613 50 0 IFAARN O=C(Cc1ccc(Cl)cc1)NCCn1ncc2c1ncn(Cc1cccc(F)c1)c2=O ZINC000009016713 569496855 /nfs/dbraw/zinc/49/68/55/569496855.db2.gz CKXQLKXGUVKQQR-UHFFFAOYSA-N 0 0 439.878 2.793 50 0 IFAARN C[C@@H](OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000009032354 569497182 /nfs/dbraw/zinc/49/71/82/569497182.db2.gz IDVNBKUBLSCQIR-SNVBAGLBSA-N 0 0 436.251 2.979 50 0 IFAARN Cc1cc(NC(=O)Cc2noc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)n2)no1 ZINC000040266512 569497192 /nfs/dbraw/zinc/49/71/92/569497192.db2.gz UARNEBPKEMTGBH-UHFFFAOYSA-N 0 0 428.836 2.654 50 0 IFAARN COCc1nnc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC(C)C)s1 ZINC000040267423 569497385 /nfs/dbraw/zinc/49/73/85/569497385.db2.gz YDIQKDXORNALFF-OAQYLSRUSA-N 0 0 443.529 2.648 50 0 IFAARN CC(=O)N1CCN(C(=O)c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)CC1 ZINC000040355937 569499906 /nfs/dbraw/zinc/49/99/06/569499906.db2.gz IZOAQMNHHOSDSA-UHFFFAOYSA-N 0 0 426.420 2.719 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1cccc2ccc(C)nc21 ZINC000009112552 569502437 /nfs/dbraw/zinc/50/24/37/569502437.db2.gz LKUBVVWBJBVZEJ-UHFFFAOYSA-N 0 0 442.493 2.792 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(C)s1 ZINC000009119286 569503489 /nfs/dbraw/zinc/50/34/89/569503489.db2.gz CBLPETXLSKNKDW-UHFFFAOYSA-N 0 0 442.588 2.761 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccc4ccc(C)nc43)CC2)cc1 ZINC000009120428 569503912 /nfs/dbraw/zinc/50/39/12/569503912.db2.gz VRMBZQGDUFUBJS-UHFFFAOYSA-N 0 0 439.537 2.764 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2ccc(F)cc2)c1=O)CCN3c1cccc(Cl)c1 ZINC000009124673 569504340 /nfs/dbraw/zinc/50/43/40/569504340.db2.gz DFHUSYFIBMCXDJ-UHFFFAOYSA-N 0 0 425.851 2.889 50 0 IFAARN COc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)c1 ZINC000009124443 569504362 /nfs/dbraw/zinc/50/43/62/569504362.db2.gz WVLVJRNNRQIQNJ-UHFFFAOYSA-N 0 0 437.887 2.759 50 0 IFAARN COc1ccccc1-c1nnc(SCC(=O)NCCSCc2cccs2)n1N ZINC000009124807 569504428 /nfs/dbraw/zinc/50/44/28/569504428.db2.gz SPWKFZHHUIFGII-UHFFFAOYSA-N 0 0 435.600 2.871 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCCOc1cccc(C)c1 ZINC000009125060 569504505 /nfs/dbraw/zinc/50/45/05/569504505.db2.gz BOMRLKRQNWIXMH-IBGZPJMESA-N 0 0 433.574 2.986 50 0 IFAARN Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccc(OC(F)F)cc1 ZINC000009125081 569504594 /nfs/dbraw/zinc/50/45/94/569504594.db2.gz SVRNRZUSCGUXGH-UHFFFAOYSA-N 0 0 449.439 2.762 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O ZINC000009126110 569504814 /nfs/dbraw/zinc/50/48/14/569504814.db2.gz CAPPVAZZCSPXMB-HXUWFJFHSA-N 0 0 433.823 2.656 50 0 IFAARN CCn1c(CN(C)CC(=O)Nc2cccc(F)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009126464 569504904 /nfs/dbraw/zinc/50/49/04/569504904.db2.gz HYXVYMHCOWAERD-UHFFFAOYSA-N 0 0 447.536 2.516 50 0 IFAARN Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c(C)n1C[C@@H]1CCCO1 ZINC000009127090 569505111 /nfs/dbraw/zinc/50/51/11/569505111.db2.gz YSWXSSUGLRPKNJ-INIZCTEOSA-N 0 0 437.587 2.904 50 0 IFAARN Cc1ccccc1-n1cnnc1SCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009127257 569505150 /nfs/dbraw/zinc/50/51/50/569505150.db2.gz UXRWVLSLDKABDL-SFHVURJKSA-N 0 0 442.566 2.888 50 0 IFAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)Nc1ccc2c(c1)OCO2 ZINC000009128017 569505332 /nfs/dbraw/zinc/50/53/32/569505332.db2.gz MQLZDUFIAHVXDS-KRWDZBQOSA-N 0 0 436.420 2.531 50 0 IFAARN CSc1nnnn1-c1cccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c1 ZINC000069458970 569506599 /nfs/dbraw/zinc/50/65/99/569506599.db2.gz BDKBRBBEDUUDKO-SFHVURJKSA-N 0 0 425.518 2.992 50 0 IFAARN Cc1ccccc1Cn1nnc2c1ncn(CC(=O)Nc1ccc(Cl)cc1F)c2=O ZINC000040477204 569506685 /nfs/dbraw/zinc/50/66/85/569506685.db2.gz ILDPEOZNDQKBGC-UHFFFAOYSA-N 0 0 426.839 2.776 50 0 IFAARN C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009130952 569506943 /nfs/dbraw/zinc/50/69/43/569506943.db2.gz SUVZBKMVHJVQOR-OAHLLOKOSA-N 0 0 431.514 2.681 50 0 IFAARN COC(=O)[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1C(F)(F)F ZINC000069563293 569507260 /nfs/dbraw/zinc/50/72/60/569507260.db2.gz NPNHNEGJEOHRPZ-RHSMWYFYSA-N 0 0 441.450 2.964 50 0 IFAARN Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1N(C)C ZINC000009151838 569507603 /nfs/dbraw/zinc/50/76/03/569507603.db2.gz QASHNEIGGIVGRO-HNNXBMFYSA-N 0 0 445.541 2.891 50 0 IFAARN COC(=O)[C@@H](CC(C)C)NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000009155094 569508222 /nfs/dbraw/zinc/50/82/22/569508222.db2.gz LIYHAEHWAQQYOL-CYBMUJFWSA-N 0 0 437.587 2.801 50 0 IFAARN COC(=O)[C@H](CC(C)C)NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000009155093 569508259 /nfs/dbraw/zinc/50/82/59/569508259.db2.gz LIYHAEHWAQQYOL-ZDUSSCGKSA-N 0 0 437.587 2.801 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2csc(-c3ncccn3)n2)CC1 ZINC000069582926 569508340 /nfs/dbraw/zinc/50/83/40/569508340.db2.gz WOHZDWMPRHQHKX-HNNXBMFYSA-N 0 0 426.521 2.884 50 0 IFAARN O=C(COC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1)c1ccccc1Cl ZINC000040556198 569508682 /nfs/dbraw/zinc/50/86/82/569508682.db2.gz VVIBITMRVQYJOR-INIZCTEOSA-N 0 0 425.915 2.830 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSC[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000009165318 569508800 /nfs/dbraw/zinc/50/88/00/569508800.db2.gz QSEVTXLYEHSMAG-CQSZACIVSA-N 0 0 437.414 2.755 50 0 IFAARN CC(=O)Nc1ccc2nc(NC(=O)CSc3nnnn3-c3ccccc3)sc2c1 ZINC000009189575 569510458 /nfs/dbraw/zinc/51/04/58/569510458.db2.gz RFNKBBNWDCOEOE-UHFFFAOYSA-N 0 0 425.499 2.961 50 0 IFAARN Cc1ccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000009194252 569510935 /nfs/dbraw/zinc/51/09/35/569510935.db2.gz FMQOYUGLLAKTFO-UHFFFAOYSA-N 0 0 434.905 2.635 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000009194233 569510939 /nfs/dbraw/zinc/51/09/39/569510939.db2.gz SKHWODOACHFSMF-UHFFFAOYSA-N 0 0 434.905 2.635 50 0 IFAARN CN(C(=O)COC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000009202402 569511189 /nfs/dbraw/zinc/51/11/89/569511189.db2.gz WYJKLWFXXBOQJJ-UHFFFAOYSA-N 0 0 444.431 2.580 50 0 IFAARN CCOc1ccc(NC(=O)CN2CCc3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000009208583 569511439 /nfs/dbraw/zinc/51/14/39/569511439.db2.gz YMKOGWMRZYXINQ-UHFFFAOYSA-N 0 0 429.542 2.871 50 0 IFAARN CC(=O)c1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000009211641 569511820 /nfs/dbraw/zinc/51/18/20/569511820.db2.gz TWDRTNKRIJGYCC-AWEZNQCLSA-N 0 0 428.510 2.989 50 0 IFAARN COCc1c2ccccc2oc1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000009218405 569512365 /nfs/dbraw/zinc/51/23/65/569512365.db2.gz YBNUIQDIUZOYFD-NRFANRHFSA-N 0 0 436.464 2.704 50 0 IFAARN O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009219057 569512427 /nfs/dbraw/zinc/51/24/27/569512427.db2.gz HINDLKPLAYSOLM-UHFFFAOYSA-N 0 0 448.888 2.663 50 0 IFAARN Cc1ccc(C)c(-n2cnnc2SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000009220702 569512564 /nfs/dbraw/zinc/51/25/64/569512564.db2.gz DAWWYMOBLARQOZ-GOSISDBHSA-N 0 0 448.614 2.935 50 0 IFAARN Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1Cc1ccc(F)cc1 ZINC000009222147 569512673 /nfs/dbraw/zinc/51/26/73/569512673.db2.gz FONJBOJJZUGWFK-UHFFFAOYSA-N 0 0 445.516 2.587 50 0 IFAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)c1ccc(Cl)s1 ZINC000009222442 569512728 /nfs/dbraw/zinc/51/27/28/569512728.db2.gz RIPLLWODAJDPNK-UHFFFAOYSA-N 0 0 428.919 2.547 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000009223779 569512980 /nfs/dbraw/zinc/51/29/80/569512980.db2.gz JOSCMGOAXZVFLS-UHFFFAOYSA-N 0 0 446.525 2.822 50 0 IFAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000009223737 569512996 /nfs/dbraw/zinc/51/29/96/569512996.db2.gz RMLBKDWDDOCDGI-UHFFFAOYSA-N 0 0 437.529 2.793 50 0 IFAARN Cc1cc(C)n2nc(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@H]3CCCO3)nc2n1 ZINC000009223521 569513020 /nfs/dbraw/zinc/51/30/20/569513020.db2.gz UGGIFPOVQRTNGZ-GOSISDBHSA-N 0 0 436.516 2.618 50 0 IFAARN COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000009224670 569513160 /nfs/dbraw/zinc/51/31/60/569513160.db2.gz KGQXSTKYMYBWJD-UHFFFAOYSA-N 0 0 432.527 2.928 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)cc1C ZINC000009227688 569513443 /nfs/dbraw/zinc/51/34/43/569513443.db2.gz ZYPRKWAYCSGLQF-FQEVSTJZSA-N 0 0 428.554 2.989 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)cc1 ZINC000009233304 569513818 /nfs/dbraw/zinc/51/38/18/569513818.db2.gz BVMQBRJUIMNXPY-LICLKQGHSA-N 0 0 425.466 2.534 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009238689 569514345 /nfs/dbraw/zinc/51/43/45/569514345.db2.gz GNOZNLOLQBTFKV-RTBURBONSA-N 0 0 425.514 2.679 50 0 IFAARN COc1ccc(N2CCn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)cc1 ZINC000009243232 569514895 /nfs/dbraw/zinc/51/48/95/569514895.db2.gz PLOCLLCNCJRRIW-RMKNXTFCSA-N 0 0 429.480 2.770 50 0 IFAARN CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1 ZINC000009243517 569514924 /nfs/dbraw/zinc/51/49/24/569514924.db2.gz GKCWKJVOFHXFKF-UHFFFAOYSA-N 0 0 431.496 2.804 50 0 IFAARN CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000009244825 569515158 /nfs/dbraw/zinc/51/51/58/569515158.db2.gz OTWLYTROWNMFBW-UHFFFAOYSA-N 0 0 430.570 2.965 50 0 IFAARN O=C(CNC(=O)CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(F)cc1 ZINC000009245183 569515281 /nfs/dbraw/zinc/51/52/81/569515281.db2.gz FXHFBWDLGLUCAV-UHFFFAOYSA-N 0 0 436.472 2.802 50 0 IFAARN COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)c1OC ZINC000009253122 569516169 /nfs/dbraw/zinc/51/61/69/569516169.db2.gz VYIHZJOZZPRGFP-ZKMNFCBKSA-N 0 0 434.514 2.504 50 0 IFAARN O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccccc1F)C1CC1 ZINC000009256293 569516680 /nfs/dbraw/zinc/51/66/80/569516680.db2.gz WYHDKIGXOZTMDB-UHFFFAOYSA-N 0 0 438.546 2.964 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000009257504 569516798 /nfs/dbraw/zinc/51/67/98/569516798.db2.gz SYDCIYVRHJHHRE-HXUWFJFHSA-N 0 0 429.379 2.730 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)N(C)Cc3ccc(OC)c(OC)c3)CC2=O)c(OC)c1 ZINC000009257741 569516903 /nfs/dbraw/zinc/51/69/03/569516903.db2.gz RJOQMCWWTOCMTB-INIZCTEOSA-N 0 0 428.485 2.733 50 0 IFAARN COc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 ZINC000009262507 569517043 /nfs/dbraw/zinc/51/70/43/569517043.db2.gz VAIOWRKLDOUYDW-LLVKDONJSA-N 0 0 432.531 2.502 50 0 IFAARN COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2C)cc1 ZINC000009262797 569517047 /nfs/dbraw/zinc/51/70/47/569517047.db2.gz CBTWGOXJDAEOLS-UHFFFAOYSA-N 0 0 426.498 2.737 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2nc(C)cs2)n1C ZINC000009262382 569517069 /nfs/dbraw/zinc/51/70/69/569517069.db2.gz WTFSBLRBAKKLFD-UHFFFAOYSA-N 0 0 432.531 2.501 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(S[C@H](C)C(=O)Nc3nccs3)n2C)cc1 ZINC000009263586 569517221 /nfs/dbraw/zinc/51/72/21/569517221.db2.gz JYZSYWFMQABTLS-LLVKDONJSA-N 0 0 432.531 2.581 50 0 IFAARN COc1ccc(-n2cnnc2SCC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000009283151 569518855 /nfs/dbraw/zinc/51/88/55/569518855.db2.gz VBVQMKMFIOSENA-UHFFFAOYSA-N 0 0 432.527 2.501 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1=O ZINC000009283827 569518969 /nfs/dbraw/zinc/51/89/69/569518969.db2.gz RFXGFQITSZOYEO-DEOSSOPVSA-N 0 0 432.432 2.978 50 0 IFAARN CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000009287727 569519320 /nfs/dbraw/zinc/51/93/20/569519320.db2.gz ZMRXYPZKSSJJSC-MRXNPFEDSA-N 0 0 445.614 2.962 50 0 IFAARN Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(CC(=O)Nc3ccc(C)cc3C)n2C)s1 ZINC000009290088 569519698 /nfs/dbraw/zinc/51/96/98/569519698.db2.gz BJENNADOOYFKCS-GFCCVEGCSA-N 0 0 445.574 2.892 50 0 IFAARN COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CCN(S(C)(=O)=O)CC1 ZINC000009290731 569519727 /nfs/dbraw/zinc/51/97/27/569519727.db2.gz SGCRJODAJONNRS-IBGZPJMESA-N 0 0 427.526 2.990 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc(Br)ccc1N ZINC000069815039 569519795 /nfs/dbraw/zinc/51/97/95/569519795.db2.gz FXANWQNXFPXWJX-NSHDSACASA-N 0 0 432.274 2.952 50 0 IFAARN COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc(OC)c1OC ZINC000009291812 569519865 /nfs/dbraw/zinc/51/98/65/569519865.db2.gz ZQYFANJABMELKC-IBGZPJMESA-N 0 0 425.437 2.665 50 0 IFAARN CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c1 ZINC000009295442 569520334 /nfs/dbraw/zinc/52/03/34/569520334.db2.gz FKKDKCZFUHHNSH-LUDQZLGDSA-N 0 0 434.517 2.807 50 0 IFAARN CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N(CC(=O)OC)C2=S)cc1 ZINC000009296099 569520436 /nfs/dbraw/zinc/52/04/36/569520436.db2.gz FWNJESZORVWUMI-YVLHZVERSA-N 0 0 440.477 2.962 50 0 IFAARN Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1nnc(C2CC2)s1 ZINC000009302551 569520836 /nfs/dbraw/zinc/52/08/36/569520836.db2.gz AZOHGLFQTRIIQI-UHFFFAOYSA-N 0 0 447.521 2.595 50 0 IFAARN COc1ccc([C@@H]2CC(=C3C(=O)N(C)C(=O)N(C)C3=O)Nc3ccccc3N2)cc1OC ZINC000009303039 569520934 /nfs/dbraw/zinc/52/09/34/569520934.db2.gz UYJXIZLLJNGBQO-INIZCTEOSA-N 0 0 436.468 2.977 50 0 IFAARN CCc1nnc(NC(=O)CSc2nnc(COc3ccc(C)cc3OC)n2C)s1 ZINC000009303810 569521051 /nfs/dbraw/zinc/52/10/51/569521051.db2.gz UHFVNIJSPLOEJF-UHFFFAOYSA-N 0 0 434.547 2.856 50 0 IFAARN COc1cc(C)ccc1OCc1nnc(S[C@H](C)C(=O)Nc2nnc(C)s2)n1C ZINC000009304111 569521116 /nfs/dbraw/zinc/52/11/16/569521116.db2.gz MEHGTQBVAGJUIK-LLVKDONJSA-N 0 0 434.547 2.990 50 0 IFAARN Cc1csc(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)cc3)n2C)n1 ZINC000009305198 569521247 /nfs/dbraw/zinc/52/12/47/569521247.db2.gz QTOFTSOPVWIULG-UHFFFAOYSA-N 0 0 436.950 2.894 50 0 IFAARN C[C@H]1Cn2c3c(nc2N(CCc2ccccc2)C1)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000009307924 569521428 /nfs/dbraw/zinc/52/14/28/569521428.db2.gz GZBFPWVADDGCDT-LJQANCHMSA-N 0 0 443.551 2.838 50 0 IFAARN Cc1ccc(S(=O)(=O)NC2CCC(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)CC2)cc1 ZINC000009308318 569521462 /nfs/dbraw/zinc/52/14/62/569521462.db2.gz LRVIFVMVFGRBHO-JHDZUBBNSA-N 0 0 434.602 2.986 50 0 IFAARN Cc1ccc(S(=O)(=O)NC2CCC(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)CC2)cc1 ZINC000009308317 569521482 /nfs/dbraw/zinc/52/14/82/569521482.db2.gz LRVIFVMVFGRBHO-MIFVJVCISA-N 0 0 434.602 2.986 50 0 IFAARN Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4Cc3ccccc3)n(C)c2=O)c1 ZINC000009308872 569521615 /nfs/dbraw/zinc/52/16/15/569521615.db2.gz RALUTNKSIKFEMX-UHFFFAOYSA-N 0 0 429.524 2.972 50 0 IFAARN COc1ccc([C@H]2CCCCCN2CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000009314480 569521986 /nfs/dbraw/zinc/52/19/86/569521986.db2.gz XDZVWWCNHUCIEU-LJQANCHMSA-N 0 0 428.533 2.898 50 0 IFAARN O=C(CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(Cl)cc1F ZINC000009336421 569523409 /nfs/dbraw/zinc/52/34/09/569523409.db2.gz CBJGGQCBPRAXNN-UHFFFAOYSA-N 0 0 445.875 2.690 50 0 IFAARN O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009336652 569523465 /nfs/dbraw/zinc/52/34/65/569523465.db2.gz NOQDBYHTFFHUOG-OAHLLOKOSA-N 0 0 444.586 2.960 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H](C)c2cc(OC)ccc2OC)c1C ZINC000009336971 569523528 /nfs/dbraw/zinc/52/35/28/569523528.db2.gz KFHKKFFFHDWEOC-ZDUSSCGKSA-N 0 0 432.473 2.860 50 0 IFAARN COc1cccc(C(=O)N(CCS(=O)(=O)N2CCCCCC2)Cc2cccnc2)c1 ZINC000009340434 569523827 /nfs/dbraw/zinc/52/38/27/569523827.db2.gz ONBRROWDQCCTIW-UHFFFAOYSA-N 0 0 431.558 2.938 50 0 IFAARN O=C(CCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)NCCc1ccc(O)cc1 ZINC000009348163 569524394 /nfs/dbraw/zinc/52/43/94/569524394.db2.gz HXZZDTDDLRTPFH-UNOMPAQXSA-N 0 0 440.477 2.906 50 0 IFAARN COc1ccc([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c(OC)c1 ZINC000009348846 569524549 /nfs/dbraw/zinc/52/45/49/569524549.db2.gz GQMSGQPEGXUWIW-HSZRJFAPSA-N 0 0 447.491 2.843 50 0 IFAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nn2c(nc(C)cc2=O)s1 ZINC000009349291 569524705 /nfs/dbraw/zinc/52/47/05/569524705.db2.gz FTBRYDKRIABHSF-UHFFFAOYSA-N 0 0 425.436 2.727 50 0 IFAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)N(C)C[C@@H](O)c3ccc(O)cc3)C2=O)cc1 ZINC000009353127 569524908 /nfs/dbraw/zinc/52/49/08/569524908.db2.gz FAKJLLJZRCFXEZ-NPBUNYCVSA-N 0 0 442.493 2.629 50 0 IFAARN CCc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)cc1 ZINC000009356405 569525457 /nfs/dbraw/zinc/52/54/57/569525457.db2.gz FFBZJALMRFUDKG-UHFFFAOYSA-N 0 0 426.542 2.847 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000069967702 569525852 /nfs/dbraw/zinc/52/58/52/569525852.db2.gz AHIQYBQUBDRFTF-UHFFFAOYSA-N 0 0 430.574 2.755 50 0 IFAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000009376944 569527394 /nfs/dbraw/zinc/52/73/94/569527394.db2.gz SNGFLXQZHNORSG-UHFFFAOYSA-N 0 0 445.907 2.992 50 0 IFAARN CCc1nc2ccccc2n1CC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009378382 569527663 /nfs/dbraw/zinc/52/76/63/569527663.db2.gz OVBPQONMONJYNH-UHFFFAOYSA-N 0 0 444.532 2.661 50 0 IFAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1C(=O)OCC ZINC000009379303 569527738 /nfs/dbraw/zinc/52/77/38/569527738.db2.gz RHCILXWYCKHZPY-UHFFFAOYSA-N 0 0 448.545 2.596 50 0 IFAARN Cc1nc(C(=O)N2CSC[C@H]2C(=O)NCC(F)(F)F)nn1-c1ccccc1C(C)C ZINC000070004671 569527777 /nfs/dbraw/zinc/52/77/77/569527777.db2.gz UABBDOSGSTXNGB-HNNXBMFYSA-N 0 0 441.479 2.893 50 0 IFAARN O=C(CNC(=O)c1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000009385925 569528444 /nfs/dbraw/zinc/52/84/44/569528444.db2.gz WLCAOTKEAMNEJG-UHFFFAOYSA-N 0 0 433.505 2.759 50 0 IFAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)c1 ZINC000009396811 569529171 /nfs/dbraw/zinc/52/91/71/569529171.db2.gz GOANFTHGQDOHAG-INIZCTEOSA-N 0 0 441.553 2.942 50 0 IFAARN C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl)CS2 ZINC000009396675 569529190 /nfs/dbraw/zinc/52/91/90/569529190.db2.gz NNEYIJLAWHTXKL-KBXCAEBGSA-N 0 0 431.341 2.649 50 0 IFAARN COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C ZINC000009405434 569529939 /nfs/dbraw/zinc/52/99/39/569529939.db2.gz INBWXFULMINGGD-UHFFFAOYSA-N 0 0 425.510 2.715 50 0 IFAARN CCc1ccccc1NC(=O)Cn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000009408074 569530440 /nfs/dbraw/zinc/53/04/40/569530440.db2.gz XYFZSXQDSGANOM-UHFFFAOYSA-N 0 0 429.498 2.580 50 0 IFAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)Nc1ccccc1F ZINC000009408034 569530465 /nfs/dbraw/zinc/53/04/65/569530465.db2.gz WDIYJSQBNBHDDQ-UHFFFAOYSA-N 0 0 447.488 2.937 50 0 IFAARN Cc1ccc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c2ccccc2F)cc1 ZINC000009408454 569530597 /nfs/dbraw/zinc/53/05/97/569530597.db2.gz AEQFSTAHVQSFLC-SJLPKXTDSA-N 0 0 433.530 2.848 50 0 IFAARN Cc1ccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c2ccccc2F)cc1 ZINC000009408453 569530623 /nfs/dbraw/zinc/53/06/23/569530623.db2.gz AEQFSTAHVQSFLC-WMZOPIPTSA-N 0 0 433.530 2.848 50 0 IFAARN O=C(Cn1c(=O)c2sccc2n(Cc2cccc(F)c2)c1=O)NCc1cccs1 ZINC000009409634 569531075 /nfs/dbraw/zinc/53/10/75/569531075.db2.gz GYHBGMOYKBHNBU-UHFFFAOYSA-N 0 0 429.498 2.790 50 0 IFAARN COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)c1 ZINC000009409660 569531133 /nfs/dbraw/zinc/53/11/33/569531133.db2.gz NLBUSGYDKDNNBP-GJYPPUQNSA-N 0 0 442.365 2.947 50 0 IFAARN COc1ccc(-c2noc(CN(c3ccc4c(c3)OCCCO4)S(C)(=O)=O)n2)cc1 ZINC000009409652 569531151 /nfs/dbraw/zinc/53/11/51/569531151.db2.gz NBSJAITZZFHAHJ-UHFFFAOYSA-N 0 0 431.470 2.873 50 0 IFAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000009410400 569531328 /nfs/dbraw/zinc/53/13/28/569531328.db2.gz OBPAJDDMPMCRQL-UHFFFAOYSA-N 0 0 434.905 2.669 50 0 IFAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1=O ZINC000009413147 569531696 /nfs/dbraw/zinc/53/16/96/569531696.db2.gz UHTSLHQDLSVROY-FATZIPQQSA-N 0 0 441.459 2.631 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(OC)c(OC)c2)C[S@](=O)C3)cc1 ZINC000009413234 569531699 /nfs/dbraw/zinc/53/16/99/569531699.db2.gz VMPZBSDSWMHNDM-WJOKGBTCSA-N 0 0 441.509 2.842 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(OC)c(OC)c2)C[S@@](=O)C3)cc1 ZINC000009413240 569531715 /nfs/dbraw/zinc/53/17/15/569531715.db2.gz VMPZBSDSWMHNDM-HKBQPEDESA-N 0 0 441.509 2.842 50 0 IFAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1=O ZINC000009413138 569531728 /nfs/dbraw/zinc/53/17/28/569531728.db2.gz UHTSLHQDLSVROY-PSLXWICFSA-N 0 0 441.459 2.631 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 ZINC000009416537 569532322 /nfs/dbraw/zinc/53/23/22/569532322.db2.gz QUCBCVVXOOOMEN-UHFFFAOYSA-N 0 0 433.468 2.855 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1 ZINC000009416401 569532327 /nfs/dbraw/zinc/53/23/27/569532327.db2.gz KMUVFTKSZGVCMY-UHFFFAOYSA-N 0 0 439.859 2.892 50 0 IFAARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009416942 569532374 /nfs/dbraw/zinc/53/23/74/569532374.db2.gz ZRKGZFREJUTMJA-UHFFFAOYSA-N 0 0 439.465 2.848 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000009419040 569532468 /nfs/dbraw/zinc/53/24/68/569532468.db2.gz MMIVORXBPMAHPP-KRWDZBQOSA-N 0 0 427.457 2.552 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000009428264 569533469 /nfs/dbraw/zinc/53/34/69/569533469.db2.gz DRDWAYNNCXYFJV-UHFFFAOYSA-N 0 0 441.553 2.840 50 0 IFAARN CCCN1c2ccccc2[C@]2(C1=O)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCO ZINC000009431995 569534299 /nfs/dbraw/zinc/53/42/99/569534299.db2.gz DPGIYMXDQPFYBI-RUZDIDTESA-N 0 0 432.476 2.858 50 0 IFAARN COc1ccc(CCNC(=O)COC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1 ZINC000009442221 569535511 /nfs/dbraw/zinc/53/55/11/569535511.db2.gz VGJBUFTUJVXLMK-UHFFFAOYSA-N 0 0 449.507 2.647 50 0 IFAARN COc1ccc(-c2csc(NC(=O)COC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)n2)cc1 ZINC000009442494 569535513 /nfs/dbraw/zinc/53/55/13/569535513.db2.gz ABWNXQAYJZVPHF-MGPUTAFESA-N 0 0 447.538 2.754 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)CC1 ZINC000009442439 569535551 /nfs/dbraw/zinc/53/55/51/569535551.db2.gz ADOGHXOOKIJBCN-UHFFFAOYSA-N 0 0 446.573 2.835 50 0 IFAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1 ZINC000009442907 569535669 /nfs/dbraw/zinc/53/56/69/569535669.db2.gz CLOXHPFGSABJQX-UHFFFAOYSA-N 0 0 448.472 2.853 50 0 IFAARN COC(=O)[C@@H](CC(C)C)NC(=O)CSc1n[nH]c(-c2cc(Cl)ccc2OC)n1 ZINC000009451424 569536391 /nfs/dbraw/zinc/53/63/91/569536391.db2.gz UPGHJCOWZRPGST-CYBMUJFWSA-N 0 0 426.926 2.930 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnnn2-c2ccc(O)cc2)c1 ZINC000009454364 569536631 /nfs/dbraw/zinc/53/66/31/569536631.db2.gz MXDONICLNSUVKV-GOSISDBHSA-N 0 0 441.513 2.841 50 0 IFAARN Cc1csc2nc(CSc3ccc(S(=O)(=O)N4CCCCC4)cn3)cc(=O)n12 ZINC000009462726 569537280 /nfs/dbraw/zinc/53/72/80/569537280.db2.gz FAEBNCQIPXBWOY-UHFFFAOYSA-N 0 0 436.584 2.926 50 0 IFAARN Cc1csc(=O)n1CC(=O)OCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009466449 569538177 /nfs/dbraw/zinc/53/81/77/569538177.db2.gz QHMCRUHFOUUKPZ-UHFFFAOYSA-N 0 0 425.438 2.802 50 0 IFAARN COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000009467838 569538536 /nfs/dbraw/zinc/53/85/36/569538536.db2.gz IWRGCRFCFUEDGX-UHFFFAOYSA-N 0 0 433.482 2.613 50 0 IFAARN CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2[C@@H](C)CC)NC(=O)N[C@H]1C ZINC000009468182 569538606 /nfs/dbraw/zinc/53/86/06/569538606.db2.gz CKSMBSDUOSJSCC-STQMWFEESA-N 0 0 430.530 2.978 50 0 IFAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc3c(c2)OCO3)n[nH]1 ZINC000009472753 569538989 /nfs/dbraw/zinc/53/89/89/569538989.db2.gz QTISKHKDCKIPCI-UHFFFAOYSA-N 0 0 435.465 2.877 50 0 IFAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1nnnn1C[C@@H]1CCCO1 ZINC000009477968 569539246 /nfs/dbraw/zinc/53/92/46/569539246.db2.gz LSRKSQCVYPTLQY-KRWDZBQOSA-N 0 0 427.534 2.694 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)NC3CCCC3)CC2=O)cc1 ZINC000009486908 569539624 /nfs/dbraw/zinc/53/96/24/569539624.db2.gz AZTZGWDNRPQMNQ-CVDCTZTESA-N 0 0 449.551 2.834 50 0 IFAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000009495195 569540969 /nfs/dbraw/zinc/54/09/69/569540969.db2.gz NHKKPDNSCAAPKX-BXKMTCNYSA-N 0 0 437.496 2.696 50 0 IFAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000009495198 569540988 /nfs/dbraw/zinc/54/09/88/569540988.db2.gz NHKKPDNSCAAPKX-MZNJEOGPSA-N 0 0 437.496 2.696 50 0 IFAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3S[C@H]3CCS(=O)(=O)C3)cc2NC1=O ZINC000009496988 569541271 /nfs/dbraw/zinc/54/12/71/569541271.db2.gz FVTIFIZABXLVIS-JSGCOSHPSA-N 0 0 432.523 2.938 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2nn(CC)c(=O)c3ccccc32)c1 ZINC000009499561 569541480 /nfs/dbraw/zinc/54/14/80/569541480.db2.gz QBAKNZALCVOIFS-UHFFFAOYSA-N 0 0 428.514 2.699 50 0 IFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)N2CCc3ccccc32)s1 ZINC000009503487 569541809 /nfs/dbraw/zinc/54/18/09/569541809.db2.gz XTMQMECYQSVQNF-UHFFFAOYSA-N 0 0 425.491 2.691 50 0 IFAARN COC(=O)c1cc(NC(=O)c2cccs2)c(=O)n2c(=O)c3c(C)c(C)sc3[nH]c12 ZINC000009509198 569542528 /nfs/dbraw/zinc/54/25/28/569542528.db2.gz KDQNBWACLYNSHJ-UHFFFAOYSA-N 0 0 429.479 2.920 50 0 IFAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cccc(S(=O)(=O)N(C)C)c2)C1=O ZINC000009509450 569542564 /nfs/dbraw/zinc/54/25/64/569542564.db2.gz UMJIUDZVHOLPIB-HXUWFJFHSA-N 0 0 435.933 2.948 50 0 IFAARN COc1cc(C(=O)OCC(=O)NC(=O)NC2CCCC2)ccc1OCc1c(C)noc1C ZINC000009510652 569542823 /nfs/dbraw/zinc/54/28/23/569542823.db2.gz UIEGVXGXIWXEBE-UHFFFAOYSA-N 0 0 445.472 2.804 50 0 IFAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009514003 569543154 /nfs/dbraw/zinc/54/31/54/569543154.db2.gz KFLNBTHSVHYCPK-SFHVURJKSA-N 0 0 442.493 2.670 50 0 IFAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000009514261 569543189 /nfs/dbraw/zinc/54/31/89/569543189.db2.gz OVYNTCKBYXRCSR-DEOSSOPVSA-N 0 0 439.487 2.966 50 0 IFAARN Cn1c(=O)c2c(SCC(=O)c3ccccc3)nc(-c3ccccc3F)nc2n(C)c1=O ZINC000009517594 569543672 /nfs/dbraw/zinc/54/36/72/569543672.db2.gz WUXCGIMYAZTZJZ-UHFFFAOYSA-N 0 0 436.468 2.808 50 0 IFAARN Nc1nc(SCC(=O)Nc2ccccc2F)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518052 569543827 /nfs/dbraw/zinc/54/38/27/569543827.db2.gz KWTFGMXKPRLOTG-UHFFFAOYSA-N 0 0 431.424 2.613 50 0 IFAARN Nc1nc(SCC(=O)Nc2cccc(F)c2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 ZINC000009518196 569543900 /nfs/dbraw/zinc/54/39/00/569543900.db2.gz YQKLMAWLLSRFBB-UHFFFAOYSA-N 0 0 449.414 2.753 50 0 IFAARN Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccc(F)cc3F)[nH]c2=O)cc1 ZINC000009518131 569543928 /nfs/dbraw/zinc/54/39/28/569543928.db2.gz JBZTWDUZCDQVGV-UHFFFAOYSA-N 0 0 445.451 2.922 50 0 IFAARN Nc1nc(SCC(=O)Nc2ccccc2F)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 ZINC000009518195 569543988 /nfs/dbraw/zinc/54/39/88/569543988.db2.gz HHXUOGHSAPJANV-UHFFFAOYSA-N 0 0 449.414 2.753 50 0 IFAARN O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)N1CCc2ccccc21 ZINC000009518623 569544139 /nfs/dbraw/zinc/54/41/39/569544139.db2.gz MSHOAKKCDOOYPR-UHFFFAOYSA-N 0 0 430.436 2.959 50 0 IFAARN CC(C)N(C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)C(C)C ZINC000009519668 569544332 /nfs/dbraw/zinc/54/43/32/569544332.db2.gz LRUVGCUPPZZMFG-UHFFFAOYSA-N 0 0 433.574 2.683 50 0 IFAARN CC(C)N(C(=O)Cn1cc(S(=O)(=O)CC(=O)NC(C)(C)C)c2ccccc21)C(C)C ZINC000009519939 569544374 /nfs/dbraw/zinc/54/43/74/569544374.db2.gz POHOQHFOAIAZIZ-UHFFFAOYSA-N 0 0 435.590 2.975 50 0 IFAARN COc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)cc1Cl ZINC000009526820 569544556 /nfs/dbraw/zinc/54/45/56/569544556.db2.gz JTJXSHYTDGPIIN-UHFFFAOYSA-N 0 0 444.894 2.837 50 0 IFAARN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000009526994 569544632 /nfs/dbraw/zinc/54/46/32/569544632.db2.gz SCNWVZGFEYLWRT-UHFFFAOYSA-N 0 0 438.527 2.594 50 0 IFAARN CCOc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)cc1OC ZINC000009528454 569544744 /nfs/dbraw/zinc/54/47/44/569544744.db2.gz HODVDFBYSAHEIP-SFHVURJKSA-N 0 0 426.560 2.775 50 0 IFAARN COc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000009529208 569544803 /nfs/dbraw/zinc/54/48/03/569544803.db2.gz AYKRINVPPWXALT-UHFFFAOYSA-N 0 0 427.482 2.892 50 0 IFAARN Cc1ccsc1CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009530032 569544972 /nfs/dbraw/zinc/54/49/72/569544972.db2.gz FTFFMWZCZKQYBN-RDJZCZTQSA-N 0 0 435.596 2.709 50 0 IFAARN CSCC[C@@H](C(=O)OCC(=O)Nc1ccccc1F)N1C(=O)c2ccccc2C1=O ZINC000009540254 569545780 /nfs/dbraw/zinc/54/57/80/569545780.db2.gz BAQBUTXJECVVOZ-KRWDZBQOSA-N 0 0 430.457 2.725 50 0 IFAARN COc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000009576028 569548068 /nfs/dbraw/zinc/54/80/68/569548068.db2.gz FGYQCTPAKGJCAW-INIZCTEOSA-N 0 0 449.511 2.671 50 0 IFAARN COc1ccc(NC(=O)CCNC(=O)N2CCN(C(=O)c3c[nH]c4ccccc43)CC2)cc1 ZINC000009576974 569548176 /nfs/dbraw/zinc/54/81/76/569548176.db2.gz OGJMVFAHJGXGFY-UHFFFAOYSA-N 0 0 449.511 2.673 50 0 IFAARN COCCCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1C ZINC000009579171 569548440 /nfs/dbraw/zinc/54/84/40/569548440.db2.gz NPELAWHHDFMWCJ-HSZRJFAPSA-N 0 0 425.485 2.554 50 0 IFAARN O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000070640264 569549079 /nfs/dbraw/zinc/54/90/79/569549079.db2.gz QGDMSIPIMSSXPI-KRWDZBQOSA-N 0 0 435.402 2.621 50 0 IFAARN COc1cc(Cn2cc(CC(=O)N3CCC(C(N)=O)CC3)c3ccccc32)cc(OC)c1 ZINC000009582266 569549195 /nfs/dbraw/zinc/54/91/95/569549195.db2.gz YYGKSYBEYOJTGN-UHFFFAOYSA-N 0 0 435.524 2.973 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000009584846 569549436 /nfs/dbraw/zinc/54/94/36/569549436.db2.gz FLEFRSZRLROBIQ-OYLFLEFRSA-N 0 0 432.480 2.534 50 0 IFAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O ZINC000009590634 569550006 /nfs/dbraw/zinc/55/00/06/569550006.db2.gz MLQCRLJYCBAWAR-FQEVSTJZSA-N 0 0 449.294 2.786 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)ncn2)n1 ZINC000070656047 569550121 /nfs/dbraw/zinc/55/01/21/569550121.db2.gz GDBPKNVXFGUEMJ-GOSISDBHSA-N 0 0 434.500 2.541 50 0 IFAARN COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000009593877 569550503 /nfs/dbraw/zinc/55/05/03/569550503.db2.gz DARISZRBMUOEPA-MOPGFXCFSA-N 0 0 437.525 2.572 50 0 IFAARN COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCOCC2)cc1 ZINC000009593871 569550506 /nfs/dbraw/zinc/55/05/06/569550506.db2.gz DARISZRBMUOEPA-RTBURBONSA-N 0 0 437.525 2.572 50 0 IFAARN O=c1[nH]c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)cc2[nH]c1=O ZINC000009597725 569550961 /nfs/dbraw/zinc/55/09/61/569550961.db2.gz GFLCGCMNJLNPQW-UHFFFAOYSA-N 0 0 435.505 2.650 50 0 IFAARN CCOc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCCc3ccccc3)c2=O)cc1 ZINC000009598600 569551080 /nfs/dbraw/zinc/55/10/80/569551080.db2.gz VLZZVSMDEBJWET-UHFFFAOYSA-N 0 0 449.532 2.972 50 0 IFAARN Cc1cc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccc(F)cc3)c2=O)no1 ZINC000009603329 569551763 /nfs/dbraw/zinc/55/17/63/569551763.db2.gz UTRPQWKEGJVFQX-UHFFFAOYSA-N 0 0 434.383 2.973 50 0 IFAARN O=C(NCc1nnc2ccccn21)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000009604993 569551923 /nfs/dbraw/zinc/55/19/23/569551923.db2.gz TZIRYYOVJPAWME-UHFFFAOYSA-N 0 0 425.445 2.599 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O ZINC000009608468 569552142 /nfs/dbraw/zinc/55/21/42/569552142.db2.gz IOFDZVILGJXFRB-VWLOTQADSA-N 0 0 449.507 2.664 50 0 IFAARN CCOc1ccc(C(C)=O)cc1CN(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009614187 569553118 /nfs/dbraw/zinc/55/31/18/569553118.db2.gz GUUFXILHDARXCF-UHFFFAOYSA-N 0 0 436.512 2.795 50 0 IFAARN NC(=O)C1CCN(C(=O)CCN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)CC1 ZINC000009614593 569553128 /nfs/dbraw/zinc/55/31/28/569553128.db2.gz JYKHIOYUCXZTCY-QHCPKHFHSA-N 0 0 430.508 2.827 50 0 IFAARN CCOC(=O)N1CCN(C(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)CC1 ZINC000009627820 569553563 /nfs/dbraw/zinc/55/35/63/569553563.db2.gz IYTWOIAYZHGERZ-UHFFFAOYSA-N 0 0 436.921 2.892 50 0 IFAARN COc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000009631185 569553708 /nfs/dbraw/zinc/55/37/08/569553708.db2.gz GYBDEXMYIXQMPN-UHFFFAOYSA-N 0 0 437.562 2.505 50 0 IFAARN CC(C)C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1C(=O)c2ccccc2C1=O ZINC000009632573 569554029 /nfs/dbraw/zinc/55/40/29/569554029.db2.gz ZFRCSRAEAMKSHJ-OAHLLOKOSA-N 0 0 425.510 2.985 50 0 IFAARN O=C(CNS(=O)(=O)c1ccc(F)c(F)c1F)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009634054 569554373 /nfs/dbraw/zinc/55/43/73/569554373.db2.gz BSVLWRDXYXDTMC-UHFFFAOYSA-N 0 0 445.459 2.711 50 0 IFAARN COc1ccc(C)cc1NC(=O)CNC(=O)CSc1n[nH]c(-c2ccccc2F)n1 ZINC000009634377 569554476 /nfs/dbraw/zinc/55/44/76/569554476.db2.gz NQCBRPRYFWAZAZ-UHFFFAOYSA-N 0 0 429.477 2.775 50 0 IFAARN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009634899 569554568 /nfs/dbraw/zinc/55/45/68/569554568.db2.gz GSBKBZJQKHRXDS-CYBMUJFWSA-N 0 0 439.921 2.865 50 0 IFAARN Cc1ccc(-c2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)on2)cc1 ZINC000009638037 569554911 /nfs/dbraw/zinc/55/49/11/569554911.db2.gz SNCNGTOZCOMNSS-UHFFFAOYSA-N 0 0 427.482 2.923 50 0 IFAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OC)cc3OC)c2C(N)=O)C1 ZINC000009638879 569555059 /nfs/dbraw/zinc/55/50/59/569555059.db2.gz IBXWYYJXQIPZHS-UHFFFAOYSA-N 0 0 433.486 2.631 50 0 IFAARN COc1cc(Cl)c(C)cc1-n1ccnc(NCCc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000009639340 569555124 /nfs/dbraw/zinc/55/51/24/569555124.db2.gz CSYVEKZYBPULME-UHFFFAOYSA-N 0 0 448.932 2.505 50 0 IFAARN O=C(CSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n21)Nc1ccc2c(c1)OCO2 ZINC000009641647 569555695 /nfs/dbraw/zinc/55/56/95/569555695.db2.gz XTVXWRWYSKQTHR-UHFFFAOYSA-N 0 0 439.428 2.683 50 0 IFAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)NCCC1=CCCCC1 ZINC000009646012 569556178 /nfs/dbraw/zinc/55/61/78/569556178.db2.gz VAIYQQPEAPLRQK-INIZCTEOSA-N 0 0 439.603 2.590 50 0 IFAARN COc1cc(NC(=O)COC(=O)c2cccc(S(C)(=O)=O)c2)c(OC)cc1Cl ZINC000009655848 569556554 /nfs/dbraw/zinc/55/65/54/569556554.db2.gz FWJLCJFMBARTNH-UHFFFAOYSA-N 0 0 427.862 2.556 50 0 IFAARN COc1ccc(Cn2c(=O)c3ncccc3n(Cc3cc(OC)cc(OC)c3)c2=O)cc1 ZINC000009660615 569556873 /nfs/dbraw/zinc/55/68/73/569556873.db2.gz RGKAYRBDSSHUMK-UHFFFAOYSA-N 0 0 433.464 2.681 50 0 IFAARN O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000009661005 569556973 /nfs/dbraw/zinc/55/69/73/569556973.db2.gz HPOZVUDVFOQUFB-UHFFFAOYSA-N 0 0 439.415 2.787 50 0 IFAARN COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)NCCc2ccc(OC)cc2)c1 ZINC000009661579 569557043 /nfs/dbraw/zinc/55/70/43/569557043.db2.gz ZANOWYWUNOXTGZ-UHFFFAOYSA-N 0 0 446.507 2.766 50 0 IFAARN C[C@H]1CCCN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)C1 ZINC000009662271 569557069 /nfs/dbraw/zinc/55/70/69/569557069.db2.gz UJQFPTNBMXTAES-KRWDZBQOSA-N 0 0 442.537 2.853 50 0 IFAARN Cc1nnc(NC(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)s1 ZINC000009663723 569557236 /nfs/dbraw/zinc/55/72/36/569557236.db2.gz YOUHWYCAKXXHPY-HNNXBMFYSA-N 0 0 436.497 2.730 50 0 IFAARN COCCNC(=O)c1c2c(sc1NC(=O)CSc1nnc(C3CC3)n1C)CCCC2 ZINC000009666750 569557813 /nfs/dbraw/zinc/55/78/13/569557813.db2.gz MRISWTMXYOUTOQ-UHFFFAOYSA-N 0 0 449.602 2.740 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000009667750 569557885 /nfs/dbraw/zinc/55/78/85/569557885.db2.gz RPTNVGWAKNQZFW-UHFFFAOYSA-N 0 0 443.569 2.751 50 0 IFAARN COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 ZINC000009668697 569557950 /nfs/dbraw/zinc/55/79/50/569557950.db2.gz RYAGEYPYGYERJA-UHFFFAOYSA-N 0 0 446.569 2.854 50 0 IFAARN Nc1nc(COC(=O)C2CCN(C(=O)c3cccs3)CC2)nc(Nc2ccccc2)n1 ZINC000009669487 569558066 /nfs/dbraw/zinc/55/80/66/569558066.db2.gz NIAHDCALXANSJY-UHFFFAOYSA-N 0 0 438.513 2.855 50 0 IFAARN CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 ZINC000009670000 569558195 /nfs/dbraw/zinc/55/81/95/569558195.db2.gz RDXADCOMLIOFHK-NSHDSACASA-N 0 0 435.527 2.818 50 0 IFAARN CN(CC(=O)NCc1ccco1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009670202 569558257 /nfs/dbraw/zinc/55/82/57/569558257.db2.gz XGTHAHBILUCMLZ-UHFFFAOYSA-N 0 0 429.480 2.975 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)C3CN(C(=O)c4c[nH]c5ccccc45)C3)CC2)cc1 ZINC000070812500 569558459 /nfs/dbraw/zinc/55/84/59/569558459.db2.gz AFHUAIYADOHAMN-UHFFFAOYSA-N 0 0 430.508 2.791 50 0 IFAARN O=C(c1cnc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009671520 569558546 /nfs/dbraw/zinc/55/85/46/569558546.db2.gz JGGTUPKMKZSDKB-UHFFFAOYSA-N 0 0 432.505 2.930 50 0 IFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009671653 569558600 /nfs/dbraw/zinc/55/86/00/569558600.db2.gz QKAYYEICUHWGIM-CQSZACIVSA-N 0 0 441.534 2.847 50 0 IFAARN O=C(CSc1ncc(CO)n1CC(=O)NC1CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000009827512 569569650 /nfs/dbraw/zinc/56/96/50/569569650.db2.gz KJWJACCKQUBJIL-UHFFFAOYSA-N 0 0 429.329 2.692 50 0 IFAARN CCn1c(CCC(N)=O)nnc1SCc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000009683428 569560330 /nfs/dbraw/zinc/56/03/30/569560330.db2.gz CFVYLMSERQABAA-UHFFFAOYSA-N 0 0 430.515 2.566 50 0 IFAARN CC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCCC2)O3)cc1 ZINC000009683490 569560337 /nfs/dbraw/zinc/56/03/37/569560337.db2.gz VGYFUZAQYMVUAP-NRFANRHFSA-N 0 0 444.509 2.842 50 0 IFAARN Cc1sc2nc([C@H](C)OC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)[nH]c(=O)c2c1C ZINC000009683921 569560496 /nfs/dbraw/zinc/56/04/96/569560496.db2.gz ZORBUBSEFYACKL-LBPRGKRZSA-N 0 0 446.529 2.850 50 0 IFAARN CCn1nc(C)c(CCNC(=O)c2cc3c(ccn(Cc4cccnc4)c3=O)nc2C)c1C ZINC000009686106 569560692 /nfs/dbraw/zinc/56/06/92/569560692.db2.gz CLNOQWSVGBSMOT-UHFFFAOYSA-N 0 0 444.539 2.954 50 0 IFAARN COc1ccc(-c2cc(C(=O)OCC(=O)N3CCNC3=O)c3ccccc3n2)cc1OC ZINC000009690058 569560938 /nfs/dbraw/zinc/56/09/38/569560938.db2.gz VPNZHYMBFOZTBL-UHFFFAOYSA-N 0 0 435.436 2.628 50 0 IFAARN O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000009692403 569561073 /nfs/dbraw/zinc/56/10/73/569561073.db2.gz OCJAZCYUVBVNMH-KRWDZBQOSA-N 0 0 430.555 2.640 50 0 IFAARN COCCNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2c1c1ccccc1n2C ZINC000009693641 569561138 /nfs/dbraw/zinc/56/11/38/569561138.db2.gz BVNRYOYQNABAGX-UHFFFAOYSA-N 0 0 440.887 2.916 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000009698689 569561237 /nfs/dbraw/zinc/56/12/37/569561237.db2.gz WVVMVJCMCQXTCZ-UHFFFAOYSA-N 0 0 434.514 2.552 50 0 IFAARN COCCCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3F)cc2C1=O ZINC000009700725 569561278 /nfs/dbraw/zinc/56/12/78/569561278.db2.gz LIPTVGMHUWPNLP-ZDUSSCGKSA-N 0 0 428.416 2.642 50 0 IFAARN Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(Cc3ccc4c(c3)OCO4)o2)cc1 ZINC000009702087 569561319 /nfs/dbraw/zinc/56/13/19/569561319.db2.gz KAAZSIJURLSYBW-UHFFFAOYSA-N 0 0 443.481 2.890 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2F)C1=O ZINC000009704035 569561411 /nfs/dbraw/zinc/56/14/11/569561411.db2.gz JBMAICJYKHHIMY-HXUWFJFHSA-N 0 0 433.823 2.656 50 0 IFAARN O=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000070894507 569562004 /nfs/dbraw/zinc/56/20/04/569562004.db2.gz RTVCTBQMWJJQFM-UHFFFAOYSA-N 0 0 434.418 2.708 50 0 IFAARN O=C(Nc1cccc(N2CCCC2=O)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009712213 569562218 /nfs/dbraw/zinc/56/22/18/569562218.db2.gz FKOHYXBVTGXIFO-UHFFFAOYSA-N 0 0 433.555 2.914 50 0 IFAARN CC(C)c1ccc(-c2nnc(NC(=O)Cn3nc(C(N)=O)c4ccccc4c3=O)s2)cc1 ZINC000009712869 569562387 /nfs/dbraw/zinc/56/23/87/569562387.db2.gz JRXAHJGQJKUWEF-UHFFFAOYSA-N 0 0 448.508 2.776 50 0 IFAARN CCc1ccccc1-n1c(-c2ccccc2)cn2c1nc1c2c(=O)n(CC(C)=O)c(=O)n1C ZINC000009713284 569562567 /nfs/dbraw/zinc/56/25/67/569562567.db2.gz JFFWGEXUTPDULQ-UHFFFAOYSA-N 0 0 441.491 2.957 50 0 IFAARN CC(=O)[C@@H](C)n1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccccc2)n(C)c1=O ZINC000009713207 569562568 /nfs/dbraw/zinc/56/25/68/569562568.db2.gz GQLJURMCIFTCAU-OAHLLOKOSA-N 0 0 427.464 2.956 50 0 IFAARN COCCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccc(F)cc2)n(C)c1=O ZINC000009713357 569562616 /nfs/dbraw/zinc/56/26/16/569562616.db2.gz VHOKHYIGPBUTPH-UHFFFAOYSA-N 0 0 433.443 2.591 50 0 IFAARN O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000070904434 569562654 /nfs/dbraw/zinc/56/26/54/569562654.db2.gz WSFDNYRKGWYHOL-UHFFFAOYSA-N 0 0 427.448 2.931 50 0 IFAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000009714367 569562741 /nfs/dbraw/zinc/56/27/41/569562741.db2.gz PAOUCJHSXHQJAC-UHFFFAOYSA-N 0 0 434.525 2.870 50 0 IFAARN C[C@@H]1CCCCN1C(=O)Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O ZINC000009714614 569562863 /nfs/dbraw/zinc/56/28/63/569562863.db2.gz HLCUEODNRSEJLL-GOSISDBHSA-N 0 0 449.555 2.924 50 0 IFAARN C[C@H]1CCCCN1C(=O)Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O ZINC000009714616 569562887 /nfs/dbraw/zinc/56/28/87/569562887.db2.gz HLCUEODNRSEJLL-SFHVURJKSA-N 0 0 449.555 2.924 50 0 IFAARN CCn1c(CSc2nnnn2C2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009714893 569562979 /nfs/dbraw/zinc/56/29/79/569562979.db2.gz OQSFBPWNGZLNQE-UHFFFAOYSA-N 0 0 435.579 2.700 50 0 IFAARN O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccccc2Br)CC1 ZINC000070921327 569563356 /nfs/dbraw/zinc/56/33/56/569563356.db2.gz OCHNAISXKGFLSD-UHFFFAOYSA-N 0 0 438.347 2.675 50 0 IFAARN Cc1ccc(N2CCC(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)nn1 ZINC000070922877 569563477 /nfs/dbraw/zinc/56/34/77/569563477.db2.gz RKAQSUDRPHCEHI-UHFFFAOYSA-N 0 0 430.452 2.879 50 0 IFAARN CC(C)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000009725252 569563776 /nfs/dbraw/zinc/56/37/76/569563776.db2.gz XTNZKUPOWOCVND-UHFFFAOYSA-N 0 0 433.574 2.735 50 0 IFAARN CC(C)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2c1=O ZINC000009725406 569563843 /nfs/dbraw/zinc/56/38/43/569563843.db2.gz GSVXPKVWZKFGNY-CALCHBBNSA-N 0 0 447.601 2.981 50 0 IFAARN O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000009727074 569563917 /nfs/dbraw/zinc/56/39/17/569563917.db2.gz SKFDUBJLXKLNNF-UHFFFAOYSA-N 0 0 441.490 2.914 50 0 IFAARN CCOc1ccc(CCNC(=O)Cn2nc(C)n3nc(-c4ccccc4)cc3c2=O)cc1 ZINC000009727419 569563974 /nfs/dbraw/zinc/56/39/74/569563974.db2.gz ZHGQEHQYFZYNPB-UHFFFAOYSA-N 0 0 431.496 2.624 50 0 IFAARN CC(C)[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 ZINC000009727881 569564065 /nfs/dbraw/zinc/56/40/65/569564065.db2.gz PPRRLQOQRHGKKG-RDGATRHJSA-N 0 0 449.507 2.665 50 0 IFAARN COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)o2)cc1 ZINC000009731547 569564599 /nfs/dbraw/zinc/56/45/99/569564599.db2.gz STBVFPUXUFHLOI-UHFFFAOYSA-N 0 0 429.450 2.921 50 0 IFAARN CN(Cc1ccccc1Cl)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000009733488 569564728 /nfs/dbraw/zinc/56/47/28/569564728.db2.gz NLMKLTPEVARVMR-UHFFFAOYSA-N 0 0 443.978 2.764 50 0 IFAARN CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000009733555 569564734 /nfs/dbraw/zinc/56/47/34/569564734.db2.gz GTCSMDTXACEDHS-UHFFFAOYSA-N 0 0 441.550 2.640 50 0 IFAARN CCOc1ccc(-c2nc3c([nH]c(=O)n3-c3ccc(C)c(C)c3)c(C(N)=O)n2)cc1OC ZINC000009739159 569564948 /nfs/dbraw/zinc/56/49/48/569564948.db2.gz QRWLWWKNSBKNOE-UHFFFAOYSA-N 0 0 433.468 2.899 50 0 IFAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3ccc(N4CCCC4=O)cc3)C2=O)cc1 ZINC000009741662 569565282 /nfs/dbraw/zinc/56/52/82/569565282.db2.gz RFBODDDXHXUCRG-VWLOTQADSA-N 0 0 449.507 2.948 50 0 IFAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O ZINC000009741885 569565292 /nfs/dbraw/zinc/56/52/92/569565292.db2.gz FQHRCTLGOYJXGZ-MHECFPHRSA-N 0 0 433.464 2.516 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1C ZINC000009743592 569565457 /nfs/dbraw/zinc/56/54/57/569565457.db2.gz IIRBPIXRKYRWKJ-HXUWFJFHSA-N 0 0 443.569 2.992 50 0 IFAARN O=C(NCCC1=CCCCC1)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009743206 569565467 /nfs/dbraw/zinc/56/54/67/569565467.db2.gz MNUJYYGNNOMQQP-FQEVSTJZSA-N 0 0 447.601 2.743 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c(C)c1 ZINC000009743600 569565473 /nfs/dbraw/zinc/56/54/73/569565473.db2.gz PURRXTKPBWFYKF-IBGZPJMESA-N 0 0 443.569 2.992 50 0 IFAARN Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1C ZINC000009743488 569565481 /nfs/dbraw/zinc/56/54/81/569565481.db2.gz ZYPDZYJOXGFNLP-LJQANCHMSA-N 0 0 443.569 2.992 50 0 IFAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCCCC1 ZINC000009743370 569565491 /nfs/dbraw/zinc/56/54/91/569565491.db2.gz XOIYFVZVXQVLTB-IBGZPJMESA-N 0 0 435.590 2.575 50 0 IFAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000009743261 569565504 /nfs/dbraw/zinc/56/55/04/569565504.db2.gz UFDBINPBBBMRBI-GOSISDBHSA-N 0 0 433.505 2.514 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2cccc(C)c2)cc1 ZINC000009744749 569565577 /nfs/dbraw/zinc/56/55/77/569565577.db2.gz LTWHBRWUEDTLCR-FQEVSTJZSA-N 0 0 443.569 2.992 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccc(F)cc2)cc1 ZINC000009745026 569565602 /nfs/dbraw/zinc/56/56/02/569565602.db2.gz OKBAYTQWLXAFRE-IBGZPJMESA-N 0 0 447.532 2.822 50 0 IFAARN Cc1ccc(C)c2sc(N(C)CC(=O)NCCn3nc(-c4ccco4)ccc3=O)nc21 ZINC000070973984 569565820 /nfs/dbraw/zinc/56/58/20/569565820.db2.gz ROZIAJWQOSCVMO-UHFFFAOYSA-N 0 0 437.525 2.982 50 0 IFAARN Cc1ccccc1NC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009747156 569565861 /nfs/dbraw/zinc/56/58/61/569565861.db2.gz XPWBVNAQIUBKTJ-MRXNPFEDSA-N 0 0 435.571 2.745 50 0 IFAARN COc1ccc(CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)C2CC2)cc1 ZINC000009751649 569566039 /nfs/dbraw/zinc/56/60/39/569566039.db2.gz DSSMETTWIQIGOL-QHCPKHFHSA-N 0 0 443.450 2.932 50 0 IFAARN COc1cccc(NC(=O)CSc2nccn(-c3ccc(OC)c(OC)c3)c2=O)c1 ZINC000009761370 569566220 /nfs/dbraw/zinc/56/62/20/569566220.db2.gz CTOXWYKMDCHWOJ-UHFFFAOYSA-N 0 0 427.482 2.989 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(CC)s1 ZINC000009761737 569566298 /nfs/dbraw/zinc/56/62/98/569566298.db2.gz GHFVSFQHGFOSQH-UHFFFAOYSA-N 0 0 434.495 2.801 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000009788247 569567964 /nfs/dbraw/zinc/56/79/64/569567964.db2.gz OAMLTLZCBDUCMV-UHFFFAOYSA-N 0 0 449.334 2.800 50 0 IFAARN CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O ZINC000009789710 569568194 /nfs/dbraw/zinc/56/81/94/569568194.db2.gz SOFATFIXFYLAID-HXUWFJFHSA-N 0 0 433.917 2.980 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2C)c(C)c1 ZINC000009806463 569568964 /nfs/dbraw/zinc/56/89/64/569568964.db2.gz UGFPDESYPJBPEO-LJQANCHMSA-N 0 0 443.569 2.828 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(Cl)c2)c1 ZINC000009807136 569569015 /nfs/dbraw/zinc/56/90/15/569569015.db2.gz ZVJYBCUMHMZNSE-GOSISDBHSA-N 0 0 449.960 2.865 50 0 IFAARN COc1cc(C=CC(=O)Nc2cc(C)nn2-c2nc(C)c(C)c(=O)[nH]2)cc(OC)c1OC ZINC000009822317 569569498 /nfs/dbraw/zinc/56/94/98/569569498.db2.gz ZGCFOVOLWGKVNO-BQYQJAHWSA-N 0 0 439.472 2.559 50 0 IFAARN COc1ccc(Cl)cc1C(=O)NCCn1ncc2c1ncn(Cc1ccccc1)c2=O ZINC000009822405 569569526 /nfs/dbraw/zinc/56/95/26/569569526.db2.gz YWVNDZFRYYCKES-UHFFFAOYSA-N 0 0 437.887 2.733 50 0 IFAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009823927 569569630 /nfs/dbraw/zinc/56/96/30/569569630.db2.gz APXWMIAOTZQRJY-GOSISDBHSA-N 0 0 449.895 2.852 50 0 IFAARN CCCCn1c(=O)c2c(nc3n2cc(C)n3CCc2ccc(OC)c(OC)c2)n(C)c1=O ZINC000009829449 569570070 /nfs/dbraw/zinc/57/00/70/569570070.db2.gz GHFOGBLARMBGJY-UHFFFAOYSA-N 0 0 439.516 2.518 50 0 IFAARN CCCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C(=O)OCC)cc2)n(C)c1=O ZINC000009829516 569570094 /nfs/dbraw/zinc/57/00/94/569570094.db2.gz KRQKKFWVRCMJPZ-UHFFFAOYSA-N 0 0 437.500 2.732 50 0 IFAARN O=C(Nc1ccccc1N1CCCC1=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000009846759 569571056 /nfs/dbraw/zinc/57/10/56/569571056.db2.gz AJKZQUIWYBLHGZ-MRXNPFEDSA-N 0 0 445.516 2.992 50 0 IFAARN COc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)cc1OC ZINC000009852861 569571419 /nfs/dbraw/zinc/57/14/19/569571419.db2.gz JGKJHNSZCJZUDN-UHFFFAOYSA-N 0 0 433.461 2.657 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)[C@@H]1C ZINC000009860497 569571839 /nfs/dbraw/zinc/57/18/39/569571839.db2.gz GLRMJGOQVKNCDH-WTWWFLFCSA-N 0 0 435.615 2.850 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1 ZINC000009860667 569571897 /nfs/dbraw/zinc/57/18/97/569571897.db2.gz AYJMRYLQXJQVBC-RTBURBONSA-N 0 0 429.567 2.914 50 0 IFAARN O=C([C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1)N1CCOCC1 ZINC000009861481 569571963 /nfs/dbraw/zinc/57/19/63/569571963.db2.gz AKEOOXNUQCRLBU-FQEVSTJZSA-N 0 0 447.582 2.558 50 0 IFAARN C[C@@H](NC(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)c1cc2ccccc2o1 ZINC000009862140 569572073 /nfs/dbraw/zinc/57/20/73/569572073.db2.gz ULXVDMVWTPQFOV-ZIAGYGMSSA-N 0 0 448.570 2.508 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2ncnc3sccc32)C1=O ZINC000009865466 569572142 /nfs/dbraw/zinc/57/21/42/569572142.db2.gz MMMRLJRIRWJJRE-HXUWFJFHSA-N 0 0 441.538 2.758 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)c1cc2ccccc2o1 ZINC000009866491 569572242 /nfs/dbraw/zinc/57/22/42/569572242.db2.gz VPBKJZOIPUCKAE-NPMABZOXSA-N 0 0 435.436 2.806 50 0 IFAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000009885263 569572821 /nfs/dbraw/zinc/57/28/21/569572821.db2.gz BSWSRJVGQLYTOZ-UHFFFAOYSA-N 0 0 447.520 2.990 50 0 IFAARN O=C(CSc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000009915960 569573395 /nfs/dbraw/zinc/57/33/95/569573395.db2.gz GUNOTKJYQQWCSF-UHFFFAOYSA-N 0 0 430.473 2.729 50 0 IFAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c(OC)c1OC ZINC000071279361 569573475 /nfs/dbraw/zinc/57/34/75/569573475.db2.gz XMZWSMXFORVFRV-TZMCWYRMSA-N 0 0 435.502 2.701 50 0 IFAARN COc1cccc(-c2nnc(SCC(=O)NC[C@@H]3CCCO3)n2Cc2ccco2)c1 ZINC000009953299 569574689 /nfs/dbraw/zinc/57/46/89/569574689.db2.gz UMMWDTBKLBWEBD-KRWDZBQOSA-N 0 0 428.514 2.982 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(F)c(F)c2)c1C ZINC000071327064 569575045 /nfs/dbraw/zinc/57/50/45/569575045.db2.gz MKFZMYGHYIFCGN-UHFFFAOYSA-N 0 0 443.410 2.932 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3cc(F)ccc3F)c2C)c1 ZINC000071327081 569575072 /nfs/dbraw/zinc/57/50/72/569575072.db2.gz UWLFBRSWQHBFQA-UHFFFAOYSA-N 0 0 431.399 2.773 50 0 IFAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cc(OC)ccc2OC)c1C ZINC000071327431 569575294 /nfs/dbraw/zinc/57/52/94/569575294.db2.gz IQSPVDPXBZYNMH-UHFFFAOYSA-N 0 0 439.472 2.893 50 0 IFAARN COc1ccccc1NC(=O)c1nnn(CC(=O)NCCc2ccc(Cl)cc2)c1C ZINC000071327438 569575309 /nfs/dbraw/zinc/57/53/09/569575309.db2.gz NNICOZLQJYZUSF-UHFFFAOYSA-N 0 0 427.892 2.860 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)c(OC)c1 ZINC000009960970 569575480 /nfs/dbraw/zinc/57/54/80/569575480.db2.gz QWQXSLNXTFNLEL-UHFFFAOYSA-N 0 0 444.491 2.716 50 0 IFAARN COc1cc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc(OC)c1 ZINC000071328277 569575513 /nfs/dbraw/zinc/57/55/13/569575513.db2.gz LDJQLDYXJLFRRZ-UHFFFAOYSA-N 0 0 435.440 2.719 50 0 IFAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000009962914 569575718 /nfs/dbraw/zinc/57/57/18/569575718.db2.gz XWTMMIOVYIEKAN-UHFFFAOYSA-N 0 0 440.283 2.838 50 0 IFAARN Nn1c(COc2ccccc2F)nnc1SCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000009963988 569575885 /nfs/dbraw/zinc/57/58/85/569575885.db2.gz AWULMWJLOSSCQD-QGZVFWFLSA-N 0 0 427.505 2.996 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000009969271 569576047 /nfs/dbraw/zinc/57/60/47/569576047.db2.gz VAMCZBYBABZHKJ-FQEVSTJZSA-N 0 0 444.509 2.649 50 0 IFAARN C[C@H](CC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccccc1 ZINC000009984642 569576673 /nfs/dbraw/zinc/57/66/73/569576673.db2.gz AFOUBXMOIMMBTP-MRXNPFEDSA-N 0 0 429.542 2.705 50 0 IFAARN O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000010021817 569577236 /nfs/dbraw/zinc/57/72/36/569577236.db2.gz HKPIGKUAPTXZBK-UHFFFAOYSA-N 0 0 442.493 2.925 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000010022933 569577292 /nfs/dbraw/zinc/57/72/92/569577292.db2.gz TWEPDOUGUAVDIC-RYUDHWBXSA-N 0 0 436.559 2.532 50 0 IFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000010032406 569577342 /nfs/dbraw/zinc/57/73/42/569577342.db2.gz VJWCLNCIZKGPQW-VOIUYBSRSA-N 0 0 437.544 2.665 50 0 IFAARN COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)NCc2c(F)cccc2F)c1 ZINC000010062754 569577555 /nfs/dbraw/zinc/57/75/55/569577555.db2.gz LIKVINLKBWYJDS-UHFFFAOYSA-N 0 0 438.434 2.993 50 0 IFAARN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCC(=O)NC1CC1 ZINC000010087602 569577686 /nfs/dbraw/zinc/57/76/86/569577686.db2.gz PQXXYOWABZAYFN-GFCCVEGCSA-N 0 0 442.566 2.668 50 0 IFAARN COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C ZINC000010102848 569577847 /nfs/dbraw/zinc/57/78/47/569577847.db2.gz PNPNBRZSKNUFDC-UHFFFAOYSA-N 0 0 431.496 2.722 50 0 IFAARN O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)Nc1ccc2c(c1)OCO2 ZINC000010166356 569578238 /nfs/dbraw/zinc/57/82/38/569578238.db2.gz COECRMKOIIZSSE-UHFFFAOYSA-N 0 0 434.448 2.944 50 0 IFAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC000010173406 569578305 /nfs/dbraw/zinc/57/83/05/569578305.db2.gz HRCDPTONDPPKBL-UHFFFAOYSA-N 0 0 447.561 2.746 50 0 IFAARN CCOc1ccc(-c2nc3c([nH]c(=O)n3-c3ccccc3OCC)c(C(N)=O)n2)cc1OC ZINC000010188017 569578737 /nfs/dbraw/zinc/57/87/37/569578737.db2.gz RQEMYDNEZDFMAA-UHFFFAOYSA-N 0 0 449.467 2.681 50 0 IFAARN CCOC(=O)CN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)c1ccccc1 ZINC000010203465 569578984 /nfs/dbraw/zinc/57/89/84/569578984.db2.gz JQSBVEIONYUUSM-UHFFFAOYSA-N 0 0 444.285 2.755 50 0 IFAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NC[C@@H]1COc2ccccc2O1 ZINC000010214179 569579100 /nfs/dbraw/zinc/57/91/00/569579100.db2.gz MNYGICPDDYTZDR-OAHLLOKOSA-N 0 0 436.420 2.645 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(CC(=O)c2ccccc2)c(=O)n3C)n1[C@H](C)c1ccccc1 ZINC000010233491 569579643 /nfs/dbraw/zinc/57/96/43/569579643.db2.gz ZLGFNCATQFKMLF-QGZVFWFLSA-N 0 0 441.491 2.950 50 0 IFAARN Cc1cc(C(=O)NCc2ccccc2Cn2cccn2)cc(S(=O)(=O)N(C)C)c1C ZINC000010235095 569579694 /nfs/dbraw/zinc/57/96/94/569579694.db2.gz CNRPVRDUXPRJEI-UHFFFAOYSA-N 0 0 426.542 2.729 50 0 IFAARN Cc1c(C)n(-c2cccc(C)c2C)c2nc3c(c(=O)n(CC(=O)C(C)(C)C)c(=O)n3C)n12 ZINC000010271877 569580060 /nfs/dbraw/zinc/58/00/60/569580060.db2.gz QYNTYKIGYOOSRJ-UHFFFAOYSA-N 0 0 435.528 2.987 50 0 IFAARN COc1ccc(-n2ccnc(SCC(=O)Nc3cc(OC)cc(OC)c3)c2=O)cc1 ZINC000010272569 569580165 /nfs/dbraw/zinc/58/01/65/569580165.db2.gz ZNCSQSSRGZMEGH-UHFFFAOYSA-N 0 0 427.482 2.989 50 0 IFAARN COc1ccc(-n2ccnc(SCC(=O)Nc3ccc(OC)cc3OC)c2=O)cc1 ZINC000010272597 569580179 /nfs/dbraw/zinc/58/01/79/569580179.db2.gz QZXHHZMUMZSPPS-UHFFFAOYSA-N 0 0 427.482 2.989 50 0 IFAARN CCOc1ccc(NC(=O)COC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1 ZINC000010272356 569580184 /nfs/dbraw/zinc/58/01/84/569580184.db2.gz MJMQCKNSVNTTFC-UHFFFAOYSA-N 0 0 445.497 2.950 50 0 IFAARN CCOc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc(OC)cc2OC)n2nnnc2N3)cc1 ZINC000010295941 569580501 /nfs/dbraw/zinc/58/05/01/569580501.db2.gz DYMKBVOEDJCSPN-HXUWFJFHSA-N 0 0 447.455 2.946 50 0 IFAARN COc1ccc(NC(=O)c2cnc(N3CCN(c4ccc(C(C)=O)cc4)CC3)nc2N)cc1 ZINC000071772268 569580915 /nfs/dbraw/zinc/58/09/15/569580915.db2.gz LHLBDEWPRYNRPH-UHFFFAOYSA-N 0 0 446.511 2.849 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)Nc2ccccc2)c1 ZINC000071772649 569580931 /nfs/dbraw/zinc/58/09/31/569580931.db2.gz PZNCDOWXTDTOBE-INIZCTEOSA-N 0 0 440.525 2.598 50 0 IFAARN COc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(OC)cc3OC)nn2)cc1 ZINC000010324573 569580988 /nfs/dbraw/zinc/58/09/88/569580988.db2.gz KYHKGHBWKVVXPS-UHFFFAOYSA-N 0 0 445.497 2.527 50 0 IFAARN Cc1ccc(-c2ccc(OCCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nn2)cc1 ZINC000010335890 569581115 /nfs/dbraw/zinc/58/11/15/569581115.db2.gz FFHJJLMYWUYQKW-UHFFFAOYSA-N 0 0 440.525 2.511 50 0 IFAARN CN(C)CCN(C(=O)COc1ccccc1)c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000010337356 569581264 /nfs/dbraw/zinc/58/12/64/569581264.db2.gz FQPBIFSCTKWSBG-UHFFFAOYSA-N 0 0 433.555 2.673 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4cccs4)o3)CC2)cc1 ZINC000010337685 569581350 /nfs/dbraw/zinc/58/13/50/569581350.db2.gz SLTDZPXQFUFAHN-UHFFFAOYSA-N 0 0 448.526 2.846 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(C)c(C(C)=O)s3)CC2)cc1 ZINC000010337668 569581396 /nfs/dbraw/zinc/58/13/96/569581396.db2.gz NMUVXNDNJXFUKY-UHFFFAOYSA-N 0 0 437.543 2.702 50 0 IFAARN Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cn2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000010348435 569581451 /nfs/dbraw/zinc/58/14/51/569581451.db2.gz VHBZHRNLVSIIFO-GFCCVEGCSA-N 0 0 434.465 2.696 50 0 IFAARN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)CCc1nc2ccccc2s1 ZINC000010360251 569581477 /nfs/dbraw/zinc/58/14/77/569581477.db2.gz NDOKLNCDPAIZMF-UHFFFAOYSA-N 0 0 441.509 2.844 50 0 IFAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccccc2N2CCc3sccc3C2)C1 ZINC000071808633 569581818 /nfs/dbraw/zinc/58/18/18/569581818.db2.gz LKTULDIFEPMYDG-INIZCTEOSA-N 0 0 434.587 2.856 50 0 IFAARN Cc1cc(=O)oc2cc(OCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc12 ZINC000010392226 569581849 /nfs/dbraw/zinc/58/18/49/569581849.db2.gz SLCFNHLJFZOHSR-UHFFFAOYSA-N 0 0 445.493 2.580 50 0 IFAARN COc1ccc(F)cc1C(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C ZINC000010391584 569581885 /nfs/dbraw/zinc/58/18/85/569581885.db2.gz NJSIJCYTOAMDAV-UHFFFAOYSA-N 0 0 446.504 2.577 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1OC(F)F ZINC000071850223 569582426 /nfs/dbraw/zinc/58/24/26/569582426.db2.gz DLCJADDWWDPIDM-CYBMUJFWSA-N 0 0 446.497 2.828 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(I)cc2)cc1 ZINC000010462939 569582478 /nfs/dbraw/zinc/58/24/78/569582478.db2.gz AYWCTFQWBHNPCT-UHFFFAOYSA-N 0 0 444.294 2.907 50 0 IFAARN O=C(Cn1nnn(-c2cccs2)c1=O)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000010517243 569582712 /nfs/dbraw/zinc/58/27/12/569582712.db2.gz SKAZKCCOXVBHCF-UHFFFAOYSA-N 0 0 441.473 2.645 50 0 IFAARN O=S(=O)(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cccc(Br)c1 ZINC000010518333 569582735 /nfs/dbraw/zinc/58/27/35/569582735.db2.gz MAIOWOIMKVADKM-UHFFFAOYSA-N 0 0 431.333 2.691 50 0 IFAARN CCOC(=O)c1csc(NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)n1 ZINC000095472296 569584302 /nfs/dbraw/zinc/58/43/02/569584302.db2.gz WNTRFIHTEXAPSN-UHFFFAOYSA-N 0 0 440.525 3.475 50 0 IFAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3cc[nH]n3)[C@@H]21 ZINC000604406290 569584669 /nfs/dbraw/zinc/58/46/69/569584669.db2.gz DBGYYOORNGJZOE-OAQYLSRUSA-N 0 0 447.451 2.571 50 0 IFAARN O=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000077099739 569585249 /nfs/dbraw/zinc/58/52/49/569585249.db2.gz QYNXBRSHMJOOPD-UHFFFAOYSA-N 0 0 433.349 2.934 50 0 IFAARN CC1(C)Cc2cccc(OCC(=O)NCCn3nc(C4CC4)n(-c4ccccc4)c3=O)c2O1 ZINC000077100612 569585422 /nfs/dbraw/zinc/58/54/22/569585422.db2.gz AHHFYUDGNVVOJI-UHFFFAOYSA-N 0 0 448.523 2.820 50 0 IFAARN Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)NCc4nc5ccccc5n4C)C3)nc2)n1 ZINC000077100764 569585461 /nfs/dbraw/zinc/58/54/61/569585461.db2.gz SBSAZARKFGNCKQ-QGZVFWFLSA-N 0 0 431.500 2.860 50 0 IFAARN C[C@@](O)(CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 ZINC000077184371 569585855 /nfs/dbraw/zinc/58/58/55/569585855.db2.gz FXZMUBUBQZKXMO-RUZDIDTESA-N 0 0 432.476 2.722 50 0 IFAARN COc1ccc(/C=C/C(=O)N2CCc3nc(NC(=O)[C@H]4CCCO4)sc3C2)cc1OC ZINC000077192027 569586008 /nfs/dbraw/zinc/58/60/08/569586008.db2.gz GIKCSIFVXGAPLF-DBWMJRBXSA-N 0 0 443.525 2.876 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1 ZINC000077192086 569586017 /nfs/dbraw/zinc/58/60/17/569586017.db2.gz IYWIMIWDLBTYID-UHFFFAOYSA-N 0 0 440.481 2.772 50 0 IFAARN COc1ccc(CCNC(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)cc1 ZINC000077196308 569586034 /nfs/dbraw/zinc/58/60/34/569586034.db2.gz IEBMNXWNRCUXKH-UHFFFAOYSA-N 0 0 438.513 2.504 50 0 IFAARN O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1ccc(Br)o1 ZINC000077196641 569586092 /nfs/dbraw/zinc/58/60/92/569586092.db2.gz MJZKXQVNTTZQMG-UHFFFAOYSA-N 0 0 429.278 2.806 50 0 IFAARN COc1cc(OC)c(NC(=O)c2cn(C[C@H](O)c3ccccc3OC)nn2)cc1Cl ZINC000077197253 569586128 /nfs/dbraw/zinc/58/61/28/569586128.db2.gz XOECCOUAUUNNGW-INIZCTEOSA-N 0 0 432.864 2.943 50 0 IFAARN Cc1nc(-c2cccs2)sc1C(=O)NCCn1nc(-n2ccnc2C)ccc1=O ZINC000077197023 569586163 /nfs/dbraw/zinc/58/61/63/569586163.db2.gz GKQXSLSKWNMYTL-UHFFFAOYSA-N 0 0 426.527 2.661 50 0 IFAARN COc1cccc(N2C[C@@H](C(=O)N3CCC[C@@H](c4nnc(C(F)(F)F)o4)C3)CC2=O)c1 ZINC000077197820 569586200 /nfs/dbraw/zinc/58/62/00/569586200.db2.gz RWYPBYFFMVGDKY-OLZOCXBDSA-N 0 0 438.406 2.856 50 0 IFAARN COC(=O)C1CCN(C(=O)[C@@H]2c3cc(Br)ccc3CCN2C(=O)OC)CC1 ZINC000077200065 569586341 /nfs/dbraw/zinc/58/63/41/569586341.db2.gz AYUVOZXUEHERLI-INIZCTEOSA-N 0 0 439.306 2.526 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000077200933 569586529 /nfs/dbraw/zinc/58/65/29/569586529.db2.gz NNOGDXNROWCJCZ-UHFFFAOYSA-N 0 0 449.504 2.835 50 0 IFAARN Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1C ZINC000021718443 569587159 /nfs/dbraw/zinc/58/71/59/569587159.db2.gz WHEBOUOUKQXPMY-UHFFFAOYSA-N 0 0 442.516 2.704 50 0 IFAARN CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCC(C)CC4)C3)ccc21 ZINC000033262750 569587429 /nfs/dbraw/zinc/58/74/29/569587429.db2.gz AZPLCCARPNCOSJ-QGZVFWFLSA-N 0 0 433.578 2.671 50 0 IFAARN Cc1[nH]nc2ncc(NC(=O)CCSCCC(=O)Nc3cnc4n[nH]c(C)c4c3)cc12 ZINC000536425876 569588117 /nfs/dbraw/zinc/58/81/17/569588117.db2.gz HQDNUPONERSPTQ-UHFFFAOYSA-N 0 0 438.517 2.937 50 0 IFAARN O=S(=O)(c1ccc2c(c1)Cc1cc(S(=O)(=O)N3CCCC3)ccc1-2)N1CCCC1 ZINC000000623926 193860163 /nfs/dbraw/zinc/86/01/63/193860163.db2.gz BXVHPUMUFVKZMZ-UHFFFAOYSA-N 0 0 432.567 2.827 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000627386 193861649 /nfs/dbraw/zinc/86/16/49/193861649.db2.gz MJWRRXDSLOSKDR-YMFQVDJJSA-N 0 0 434.517 2.725 50 0 IFAARN COc1ccc(CCNC(=O)[C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OC ZINC000009856723 193908922 /nfs/dbraw/zinc/90/89/22/193908922.db2.gz VIBCTXVOIMVBOU-OAQYLSRUSA-N 0 0 444.484 2.582 50 0 IFAARN CNC(=O)c1ccc(N(Cc2ccccc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009860749 193910915 /nfs/dbraw/zinc/91/09/15/193910915.db2.gz FYXHJSUZDPBLHJ-MSOLQXFVSA-N 0 0 449.985 2.975 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)c(F)c4)ncn3n2)cc1 ZINC000051316934 193924195 /nfs/dbraw/zinc/92/41/95/193924195.db2.gz GUJUYBGGBUPOJX-UHFFFAOYSA-N 0 0 425.395 2.874 50 0 IFAARN COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccccc3)c2=O)cc1 ZINC000051319566 193924980 /nfs/dbraw/zinc/92/49/80/193924980.db2.gz CARWCTVBDAOKPJ-UHFFFAOYSA-N 0 0 435.505 2.598 50 0 IFAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NC[C@H]2CCCO2)cn3C2CC2)CC1 ZINC000051364397 193926035 /nfs/dbraw/zinc/92/60/35/193926035.db2.gz DBZKBSCWLQKDFV-QGZVFWFLSA-N 0 0 442.535 2.526 50 0 IFAARN COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1C(C)C ZINC000096223416 193936746 /nfs/dbraw/zinc/93/67/46/193936746.db2.gz JUDGDWZNWVBLMO-ZDUSSCGKSA-N 0 0 430.486 2.502 50 0 IFAARN O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)N1CCN(c2ccccc2)CC1 ZINC000009382961 132233730 /nfs/dbraw/zinc/23/37/30/132233730.db2.gz RHPITMVIKAJPHD-UHFFFAOYSA-N 0 0 448.914 2.584 50 0 IFAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)N2CCN(c4ccccc4)CC2)c3=O)cc1C ZINC000009382962 132233736 /nfs/dbraw/zinc/23/37/36/132233736.db2.gz DPVQMMNUKRTTTO-UHFFFAOYSA-N 0 0 442.523 2.548 50 0 IFAARN CCOc1ccc(N([C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 ZINC000000916354 132233930 /nfs/dbraw/zinc/23/39/30/132233930.db2.gz PRXYCZDSDSPENN-QGZVFWFLSA-N 0 0 449.548 2.728 50 0 IFAARN CCOc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000000912553 132233957 /nfs/dbraw/zinc/23/39/57/132233957.db2.gz WUBQFPWUUSLDSO-SFHVURJKSA-N 0 0 431.558 2.589 50 0 IFAARN CCOc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 ZINC000000916315 132233999 /nfs/dbraw/zinc/23/39/99/132233999.db2.gz JAHKVUSIQWXOKS-KRWDZBQOSA-N 0 0 449.548 2.728 50 0 IFAARN COC(=O)c1cccc(N2C(=O)C(Cl)=C(N3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000000938519 132234685 /nfs/dbraw/zinc/23/46/85/132234685.db2.gz WDVGSFWQJUCFOU-UHFFFAOYSA-N 0 0 425.872 2.619 50 0 IFAARN COc1cc(Br)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC ZINC000000944421 132236008 /nfs/dbraw/zinc/23/60/08/132236008.db2.gz BWGLISUMVLKSRE-UHFFFAOYSA-N 0 0 441.347 2.977 50 0 IFAARN O=C(CS(=O)(=O)Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000987751 132236695 /nfs/dbraw/zinc/23/66/95/132236695.db2.gz WXYMAPPLEHTDDP-UHFFFAOYSA-N 0 0 426.460 2.969 50 0 IFAARN COc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000009850545 132242088 /nfs/dbraw/zinc/24/20/88/132242088.db2.gz JFJFKRZXOYYZKC-UHFFFAOYSA-N 0 0 445.483 2.678 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000009851360 132242261 /nfs/dbraw/zinc/24/22/61/132242261.db2.gz IGMBVWPOQFFREA-UHFFFAOYSA-N 0 0 447.474 2.711 50 0 IFAARN O=C(c1ccc(Cl)cc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000009851720 132242279 /nfs/dbraw/zinc/24/22/79/132242279.db2.gz INMFSYFOUUAVJJ-UHFFFAOYSA-N 0 0 433.903 2.885 50 0 IFAARN O=C(c1ccc(F)c(F)c1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000009851729 132242308 /nfs/dbraw/zinc/24/23/08/132242308.db2.gz DWYGHUDNSDPAEW-UHFFFAOYSA-N 0 0 435.438 2.510 50 0 IFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000010256345 132244164 /nfs/dbraw/zinc/24/41/64/132244164.db2.gz FIHHQXQUAYXMCY-XFXZXTDPSA-N 0 0 425.496 2.881 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1 ZINC000001424396 132245255 /nfs/dbraw/zinc/24/52/55/132245255.db2.gz CSRGLZZLWQSAMZ-UHFFFAOYSA-N 0 0 444.944 2.705 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000001454334 132245751 /nfs/dbraw/zinc/24/57/51/132245751.db2.gz VXJZBECEEIRJBW-UHFFFAOYSA-N 0 0 431.533 2.963 50 0 IFAARN CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)COc3ccc(C)cc3)cc2)CC1 ZINC000002268820 132250891 /nfs/dbraw/zinc/25/08/91/132250891.db2.gz SKLXLDQJFUIWAU-UHFFFAOYSA-N 0 0 426.542 2.556 50 0 IFAARN COc1cc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc(OC)c1OC ZINC000002350204 132252670 /nfs/dbraw/zinc/25/26/70/132252670.db2.gz OYOIKXDDLOHQJX-UHFFFAOYSA-N 0 0 431.514 2.676 50 0 IFAARN O=C(Nc1ccccc1N1CCOCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000002622692 132255245 /nfs/dbraw/zinc/25/52/45/132255245.db2.gz KFAZPCBJZTXCKC-UHFFFAOYSA-N 0 0 441.509 2.847 50 0 IFAARN Nn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccccc1Cl ZINC000002636825 132255736 /nfs/dbraw/zinc/25/57/36/132255736.db2.gz PWLZYKIQOMKQQR-UHFFFAOYSA-N 0 0 444.948 2.880 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1 ZINC000002871360 132257864 /nfs/dbraw/zinc/25/78/64/132257864.db2.gz NOWFVFAMMOMOLZ-SFHVURJKSA-N 0 0 431.558 2.507 50 0 IFAARN COCCn1cnc2sc(C(=O)N3CCN(c4ccccc4F)CC3)c(C)c2c1=O ZINC000002924691 132259026 /nfs/dbraw/zinc/25/90/26/132259026.db2.gz FCSHDMGOHOJVMG-UHFFFAOYSA-N 0 0 430.505 2.514 50 0 IFAARN O=C(CN1c2ccccc2O/C(=C/c2ccccc2)C1=O)N1CCN(c2ncccn2)CC1 ZINC000003058077 132261290 /nfs/dbraw/zinc/26/12/90/132261290.db2.gz LCUMQDIASKYGMJ-OQKWZONESA-N 0 0 441.491 2.592 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003208304 132262254 /nfs/dbraw/zinc/26/22/54/132262254.db2.gz PJCMRFXCYWJYFV-UHFFFAOYSA-N 0 0 429.542 2.950 50 0 IFAARN Nn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccc(Cl)cc1 ZINC000003296027 132263376 /nfs/dbraw/zinc/26/33/76/132263376.db2.gz NPPCKLLYUPIDIP-UHFFFAOYSA-N 0 0 444.948 2.880 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)NCc1cccs1 ZINC000003389802 132264825 /nfs/dbraw/zinc/26/48/25/132264825.db2.gz GLRYRIZDHXJDQH-UHFFFAOYSA-N 0 0 447.538 2.703 50 0 IFAARN CCc1ccc(N2C[C@H](C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)CC2=O)cc1 ZINC000003414297 132265005 /nfs/dbraw/zinc/26/50/05/132265005.db2.gz LGMJMOKSGDGSQT-QGZVFWFLSA-N 0 0 449.507 2.909 50 0 IFAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O ZINC000003595013 132266402 /nfs/dbraw/zinc/26/64/02/132266402.db2.gz FPFHVRKHIZXOBF-HXUWFJFHSA-N 0 0 447.278 2.746 50 0 IFAARN COc1ccccc1N1CCN(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000004548332 132272193 /nfs/dbraw/zinc/27/21/93/132272193.db2.gz WSDOJPMAZUSCLD-UHFFFAOYSA-N 0 0 429.586 2.979 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1 ZINC000004571112 132272329 /nfs/dbraw/zinc/27/23/29/132272329.db2.gz YRRZVOPQSIWXCH-UHFFFAOYSA-N 0 0 429.590 2.930 50 0 IFAARN CCOC(=O)c1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1N1CCOCC1 ZINC000006089559 132275884 /nfs/dbraw/zinc/27/58/84/132275884.db2.gz AHPZYQYDORAFLL-UHFFFAOYSA-N 0 0 444.484 2.978 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(N3CCN(c4ccccc4OC)CC3)CC2)cc1 ZINC000006198798 132276724 /nfs/dbraw/zinc/27/67/24/132276724.db2.gz UDAYSEYUKIIZFL-UHFFFAOYSA-N 0 0 445.585 2.679 50 0 IFAARN COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)cc1 ZINC000006577456 132277785 /nfs/dbraw/zinc/27/77/85/132277785.db2.gz YGRVALOLOGUCHT-UHFFFAOYSA-N 0 0 441.509 2.620 50 0 aggregator IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCc4ccccc43)CC2)c(C)c1 ZINC000006822701 132279342 /nfs/dbraw/zinc/27/93/42/132279342.db2.gz BKFKQXUMUCVJSX-UHFFFAOYSA-N 0 0 427.570 2.589 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c4ccsc4c(N4CCN(C)CC4)nc23)c1 ZINC000008589465 132283462 /nfs/dbraw/zinc/28/34/62/132283462.db2.gz LPXOMQDNOLUARC-UHFFFAOYSA-N 0 0 442.570 2.540 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(Cl)cc2)[C@](C)(C(=O)NC2CCCC2)C1 ZINC000008590748 132283833 /nfs/dbraw/zinc/28/38/33/132283833.db2.gz XESMMTJZGZEFFC-FQEVSTJZSA-N 0 0 441.981 2.546 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccccc2C)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000008590798 132283847 /nfs/dbraw/zinc/28/38/47/132283847.db2.gz ZLMLGNSKIYOGRY-JOCHJYFZSA-N 0 0 435.590 2.591 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H]1CCCCN21 ZINC000008610680 132288235 /nfs/dbraw/zinc/28/82/35/132288235.db2.gz OPXWKZVYPWYGPQ-FQEVSTJZSA-N 0 0 438.503 2.549 50 0 IFAARN Cc1cccc(N2CCN(C(=O)Cn3ncc4c5ccccc5n(C)c4c3=O)C[C@@H]2C)c1 ZINC000008610665 132288244 /nfs/dbraw/zinc/28/82/44/132288244.db2.gz DNDQZQRXXUXVNB-SFHVURJKSA-N 0 0 429.524 2.934 50 0 IFAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccccc2N2CCOCC2)C(C)C)c1 ZINC000008670949 132289921 /nfs/dbraw/zinc/28/99/21/132289921.db2.gz FPBSMRYTIJPQED-QFIPXVFZSA-N 0 0 441.528 2.934 50 0 IFAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCN(c2ccccn2)CC1 ZINC000008683586 132290294 /nfs/dbraw/zinc/29/02/94/132290294.db2.gz FJLCFAZDVBCLFU-UHFFFAOYSA-N 0 0 428.492 2.960 50 0 IFAARN O=c1c(Cl)c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cnn1Cc1ccccc1 ZINC000008728462 132292318 /nfs/dbraw/zinc/29/23/18/132292318.db2.gz XBBOELYSJBCZQM-UHFFFAOYSA-N 0 0 438.915 2.996 50 0 IFAARN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1C=C([O-])NC(N2CCN(c3ccccc3)CC2)=[NH+]1 ZINC000008758135 132293126 /nfs/dbraw/zinc/29/31/26/132293126.db2.gz WSRHESOBUIUKTK-KRWDZBQOSA-N 0 0 446.338 2.999 50 0 IFAARN C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009074817 132301976 /nfs/dbraw/zinc/30/19/76/132301976.db2.gz GPWWKMZNCXNVIK-AWEZNQCLSA-N 0 0 441.509 2.751 50 0 IFAARN CCN1CCN(c2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccccc32)CC1 ZINC000009152451 132306864 /nfs/dbraw/zinc/30/68/64/132306864.db2.gz UVVZJVXMBJVQOB-UHFFFAOYSA-N 0 0 436.541 2.561 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C ZINC000009158634 132307332 /nfs/dbraw/zinc/30/73/32/132307332.db2.gz RCWVGOATKJUUTE-MRXNPFEDSA-N 0 0 443.500 2.829 50 0 IFAARN CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000009190257 132307964 /nfs/dbraw/zinc/30/79/64/132307964.db2.gz WINNTEUXEBBLQP-UHFFFAOYSA-N 0 0 438.347 2.783 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C(=O)N1CCCC1 ZINC000009192246 132308146 /nfs/dbraw/zinc/30/81/46/132308146.db2.gz QSFOHWGHRKJBLS-UHFFFAOYSA-N 0 0 447.532 2.581 50 0 IFAARN COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)c1 ZINC000009192838 132308148 /nfs/dbraw/zinc/30/81/48/132308148.db2.gz KFZFELQKBSWFLW-UHFFFAOYSA-N 0 0 435.459 2.635 50 0 IFAARN COc1cccc(N2CCCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 ZINC000009210350 132308915 /nfs/dbraw/zinc/30/89/15/132308915.db2.gz ONLPREFOBPKFBZ-UHFFFAOYSA-N 0 0 431.496 2.690 50 0 IFAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCC[C@H](C(=O)N3CCOCC3)C1)nnc2C ZINC000009224388 132309771 /nfs/dbraw/zinc/30/97/71/132309771.db2.gz RWEKWHZKLRPBBL-IBGZPJMESA-N 0 0 434.544 2.816 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)Cn3c4ccccc4c4nc(=O)cc(C)n43)CC2)c1 ZINC000009251778 132310903 /nfs/dbraw/zinc/31/09/03/132310903.db2.gz SYMUNRKMYBUXMA-UHFFFAOYSA-N 0 0 429.524 2.923 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(c2c(=O)c(=O)c2-c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000009273952 132312114 /nfs/dbraw/zinc/31/21/14/132312114.db2.gz XBQNEZLYFDCTGS-UHFFFAOYSA-N 0 0 437.883 2.569 50 0 IFAARN O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc(N2CCOCC2)cc1 ZINC000009337037 132313975 /nfs/dbraw/zinc/31/39/75/132313975.db2.gz ZQHVXSJMOXQMRR-UHFFFAOYSA-N 0 0 444.495 2.517 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(-n2cnnn2)c1 ZINC000009491701 132319347 /nfs/dbraw/zinc/31/93/47/132319347.db2.gz GFDNZSVPDPPYHD-UHFFFAOYSA-N 0 0 438.488 2.549 50 0 IFAARN Cc1csc2nc(C)c(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)n12 ZINC000009561377 132321482 /nfs/dbraw/zinc/32/14/82/132321482.db2.gz ZIXGNTRLXMISJW-UHFFFAOYSA-N 0 0 438.962 2.537 50 0 IFAARN COCCCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c1nc1ccccn1c2=O ZINC000009579614 132322137 /nfs/dbraw/zinc/32/21/37/132322137.db2.gz ONUFIQSUXRHSRH-UHFFFAOYSA-N 0 0 445.523 2.648 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ccccn2)CC1 ZINC000009585717 132322374 /nfs/dbraw/zinc/32/23/74/132322374.db2.gz XASGXKJZGHCJQA-UHFFFAOYSA-N 0 0 428.558 2.609 50 0 IFAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCC(=O)N3CCOCC3)[C@@H]2c2cccs2)cc1 ZINC000009603559 132323174 /nfs/dbraw/zinc/32/31/74/132323174.db2.gz ULYQMXYALCNEFC-XMSQKQJNSA-N 0 0 442.537 2.943 50 0 IFAARN CCN1c2ccc(S(=O)(=O)N(C)C)cc2N[C@H](CC(=O)Nc2ccc(C)cc2C)C1=O ZINC000009631448 132323827 /nfs/dbraw/zinc/32/38/27/132323827.db2.gz TXBFVGJBXONMQM-LJQANCHMSA-N 0 0 444.557 2.730 50 0 IFAARN O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000009673468 132325329 /nfs/dbraw/zinc/32/53/29/132325329.db2.gz JHKRPUJCWIXKKJ-UHFFFAOYSA-N 0 0 446.960 2.924 50 0 IFAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCN(c2ccc(O)cc2)CC1 ZINC000009716948 132327390 /nfs/dbraw/zinc/32/73/90/132327390.db2.gz WHBQFOPZWNDZDQ-UHFFFAOYSA-N 0 0 440.481 2.612 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)CC1 ZINC000009748456 132328370 /nfs/dbraw/zinc/32/83/70/132328370.db2.gz AJLLWNAZAXEXDZ-UHFFFAOYSA-N 0 0 435.571 2.504 50 0 IFAARN O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N1CCN(c2ccc(O)cc2)CC1 ZINC000009847213 132329999 /nfs/dbraw/zinc/32/99/99/132329999.db2.gz MBZIUCJXZSHYSU-UHFFFAOYSA-N 0 0 436.541 2.822 50 0 IFAARN Cn1c(C(=O)N2CCC(C(=O)N3CCN(c4ccccn4)CC3)CC2)cc2sccc21 ZINC000009847848 132330074 /nfs/dbraw/zinc/33/00/74/132330074.db2.gz RGZSRZIZRBIPNZ-UHFFFAOYSA-N 0 0 437.569 2.836 50 0 IFAARN Cn1c(C(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C2)cc2sccc21 ZINC000009847718 132330107 /nfs/dbraw/zinc/33/01/07/132330107.db2.gz GJGXGNDQWMLLFX-QGZVFWFLSA-N 0 0 437.569 2.836 50 0 IFAARN O=C(c1cnc2ccccc2n1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000009885642 132330916 /nfs/dbraw/zinc/33/09/16/132330916.db2.gz QZWUNPDVUQRUBI-UHFFFAOYSA-N 0 0 446.898 2.792 50 0 IFAARN COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)COc2cccc(C)c2C)c1 ZINC000009906169 132331028 /nfs/dbraw/zinc/33/10/28/132331028.db2.gz QZSICYDOCLTDGV-UHFFFAOYSA-N 0 0 439.512 2.776 50 0 IFAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000009951171 132332710 /nfs/dbraw/zinc/33/27/10/132332710.db2.gz KTAQVAXXPHXPBJ-UHFFFAOYSA-N 0 0 431.525 2.651 50 0 IFAARN Cc1ccccc1C(=O)NCCC(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000009953685 132332762 /nfs/dbraw/zinc/33/27/62/132332762.db2.gz XHUTWDQKLCXOGR-JOCHJYFZSA-N 0 0 435.524 2.922 50 0 IFAARN CN(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000010060256 132334558 /nfs/dbraw/zinc/33/45/58/132334558.db2.gz OZSHRAAMWCXRJI-UHFFFAOYSA-N 0 0 441.528 2.948 50 0 IFAARN Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)c1 ZINC000010105029 132334866 /nfs/dbraw/zinc/33/48/66/132334866.db2.gz PEZOOKAMTQMMPK-UHFFFAOYSA-N 0 0 429.480 2.630 50 0 IFAARN COc1cc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)ccc1OC(F)F ZINC000010441550 132335797 /nfs/dbraw/zinc/33/57/97/132335797.db2.gz FCGJBDJMBZIJPI-UHFFFAOYSA-N 0 0 440.468 2.939 50 0 IFAARN COC(=O)c1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 ZINC000010508805 132335937 /nfs/dbraw/zinc/33/59/37/132335937.db2.gz PANRDJWJBRSDMG-UHFFFAOYSA-N 0 0 448.405 2.785 50 0 IFAARN CCOc1cc(N2CCN(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)nc(C)n1 ZINC000011613223 132338336 /nfs/dbraw/zinc/33/83/36/132338336.db2.gz BQNYAGAJZJSBPB-UHFFFAOYSA-N 0 0 431.493 2.564 50 0 IFAARN O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000011697665 132339104 /nfs/dbraw/zinc/33/91/04/132339104.db2.gz AMVLNOLXKYAPFU-UHFFFAOYSA-N 0 0 428.452 2.684 50 0 IFAARN O=C(c1ccc(Br)o1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000011697660 132339116 /nfs/dbraw/zinc/33/91/16/132339116.db2.gz MQILEBLIQRHYEZ-UHFFFAOYSA-N 0 0 429.278 2.933 50 0 IFAARN CCC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)C2 ZINC000011783947 132339538 /nfs/dbraw/zinc/33/95/38/132339538.db2.gz GIARCMMLYMMLEF-CYBMUJFWSA-N 0 0 430.505 2.725 50 0 IFAARN Cc1nc(CC(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cs1 ZINC000011815027 132340494 /nfs/dbraw/zinc/34/04/94/132340494.db2.gz FXZGBRIMTYFTIO-LJQANCHMSA-N 0 0 441.601 2.757 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCCC4=O)cc3)CC2)cc1 ZINC000013006148 132341790 /nfs/dbraw/zinc/34/17/90/132341790.db2.gz QQHUFDZOXYQHQD-UHFFFAOYSA-N 0 0 441.553 2.659 50 0 IFAARN COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c1 ZINC000013009190 132342190 /nfs/dbraw/zinc/34/21/90/132342190.db2.gz QHLXUULBRDKBLK-UHFFFAOYSA-N 0 0 437.504 2.650 50 0 IFAARN Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 ZINC000013009234 132342201 /nfs/dbraw/zinc/34/22/01/132342201.db2.gz UQMZYENKZIYBSH-UHFFFAOYSA-N 0 0 426.546 2.605 50 0 IFAARN Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)nn2)c(C)c1C ZINC000013009421 132342375 /nfs/dbraw/zinc/34/23/75/132342375.db2.gz JCAHLYBFRBNVJB-UHFFFAOYSA-N 0 0 446.964 2.752 50 0 IFAARN O=C(c1ccc(F)c(F)c1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000013036880 132342889 /nfs/dbraw/zinc/34/28/89/132342889.db2.gz CHUOOQVGKKOHQP-UHFFFAOYSA-N 0 0 439.401 2.590 50 0 IFAARN C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2ccccc2F)CC1 ZINC000013038914 132343196 /nfs/dbraw/zinc/34/31/96/132343196.db2.gz YNIBFZPQKVBEQN-ZDUSSCGKSA-N 0 0 438.425 2.508 50 0 IFAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccccn2)CC1 ZINC000013061560 132343841 /nfs/dbraw/zinc/34/38/41/132343841.db2.gz PBVDUTOMDDTYJL-UHFFFAOYSA-N 0 0 427.508 2.657 50 0 IFAARN CNC(=O)[C@@H]1CN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)c2ccccc2O1 ZINC000013114247 132344810 /nfs/dbraw/zinc/34/48/10/132344810.db2.gz UOLRLHBXHHATMZ-NRFANRHFSA-N 0 0 440.459 2.540 50 0 IFAARN CCOc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)c(=O)n2C ZINC000013364503 132346563 /nfs/dbraw/zinc/34/65/63/132346563.db2.gz GJHORBFWWOHJMB-UHFFFAOYSA-N 0 0 436.512 2.879 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(Cl)cc1Cl ZINC000013566659 132350361 /nfs/dbraw/zinc/35/03/61/132350361.db2.gz KPCZIOLNXXBECY-UHFFFAOYSA-N 0 0 428.297 2.745 50 0 IFAARN O=c1cc(CSc2ccccn2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]1 ZINC000013611328 132351811 /nfs/dbraw/zinc/35/18/11/132351811.db2.gz RZZWHLIQDUFHKP-UHFFFAOYSA-N 0 0 437.525 2.508 50 0 IFAARN Cn1c(=O)c2c(nc1N1CCN(C(=O)c3ccc(F)cc3)CC1)sc1c2CCCC1 ZINC000013683883 132353507 /nfs/dbraw/zinc/35/35/07/132353507.db2.gz YTHNCGSMAVYLEF-UHFFFAOYSA-N 0 0 426.517 2.975 50 0 IFAARN C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 ZINC000013700731 132353779 /nfs/dbraw/zinc/35/37/79/132353779.db2.gz RAKUSXQHNCSRBV-HNNXBMFYSA-N 0 0 436.447 2.640 50 0 IFAARN COc1ccccc1C(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 ZINC000013725642 132354198 /nfs/dbraw/zinc/35/41/98/132354198.db2.gz VMEWGSDYFLYHHC-UHFFFAOYSA-N 0 0 438.553 2.845 50 0 IFAARN COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)cn2)cc1 ZINC000013807144 132354730 /nfs/dbraw/zinc/35/47/30/132354730.db2.gz KZVRIXGXJCVLLI-UHFFFAOYSA-N 0 0 438.915 2.921 50 0 IFAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 ZINC000013848277 132355125 /nfs/dbraw/zinc/35/51/25/132355125.db2.gz TZVFXVVNJBVCQL-UHFFFAOYSA-N 0 0 444.904 2.549 50 0 IFAARN CC(=O)[C@@H]1CCCN(C(=O)c2coc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)C1 ZINC000020451488 518207471 /nfs/dbraw/zinc/20/74/71/518207471.db2.gz GCSULZJQLDTZQD-FSNDINTDSA-N 0 0 436.556 2.947 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(NC[C@@H]3CCCO3)s1)OCO2 ZINC000012761626 518295649 /nfs/dbraw/zinc/29/56/49/518295649.db2.gz MANPTXCHBFGRJD-NSHDSACASA-N 0 0 436.515 2.791 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2nc3c(N4CCCCC4)nc4ccccc4n3c2=O)cc1 ZINC000035425468 518366396 /nfs/dbraw/zinc/36/63/96/518366396.db2.gz GZNSMJUZLFNIDK-UHFFFAOYSA-N 0 0 444.495 2.876 50 0 IFAARN CC(C)(C)NC(=O)CC1(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)CCCC1 ZINC000012911186 518723499 /nfs/dbraw/zinc/72/34/99/518723499.db2.gz PWYHNOQXSXMEHI-UHFFFAOYSA-N 0 0 443.544 2.926 50 0 IFAARN CC(C)(C)NC(=O)NC(=O)CCSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 ZINC000012536679 518740907 /nfs/dbraw/zinc/74/09/07/518740907.db2.gz DGYDHTYVGHPFFZ-UHFFFAOYSA-N 0 0 442.607 2.753 50 0 IFAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1(C)C ZINC000012696494 519444689 /nfs/dbraw/zinc/44/46/89/519444689.db2.gz LWZJUWCHDLHKRH-NQIIRXRSSA-N 0 0 448.585 2.919 50 0 IFAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)N1CCc2ccccc21 ZINC000015883653 519450763 /nfs/dbraw/zinc/45/07/63/519450763.db2.gz MZKPZHDGSDODOJ-UHFFFAOYSA-N 0 0 438.553 2.512 50 0 IFAARN CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3)cc2)CC1 ZINC000009355142 519472966 /nfs/dbraw/zinc/47/29/66/519472966.db2.gz SGPATFKMPKNGLM-UHFFFAOYSA-N 0 0 440.569 2.883 50 0 IFAARN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1nnc2n1CCCCC2 ZINC000040088909 519508835 /nfs/dbraw/zinc/50/88/35/519508835.db2.gz PETSIYIYULXQLD-FQEVSTJZSA-N 0 0 436.560 2.828 50 0 IFAARN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1nnc2n1CCCCC2 ZINC000040088910 519513080 /nfs/dbraw/zinc/51/30/80/519513080.db2.gz PETSIYIYULXQLD-HXUWFJFHSA-N 0 0 436.560 2.828 50 0 IFAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N3CCc4ccccc4C3)cc1O2 ZINC000012391051 519520402 /nfs/dbraw/zinc/52/04/02/519520402.db2.gz SSHMBHLQQNOWEB-UHFFFAOYSA-N 0 0 448.519 2.997 50 0 IFAARN CC(=O)N1CCN(C(=O)[C@H]2COC3(CCCCC3)N2C(=O)c2cccc(Cl)c2)CC1 ZINC000035981012 519578496 /nfs/dbraw/zinc/57/84/96/519578496.db2.gz JUZBLQQCZXSPNM-LJQANCHMSA-N 0 0 433.936 2.532 50 0 IFAARN CC(=O)N1CCN(CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)CC1 ZINC000035500490 519582831 /nfs/dbraw/zinc/58/28/31/519582831.db2.gz HKCRAGYWISXWEQ-UHFFFAOYSA-N 0 0 425.554 2.961 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)CCn3cnc4sccc4c3=O)ccc21 ZINC000012882168 519631358 /nfs/dbraw/zinc/63/13/58/519631358.db2.gz NTJUGRLUOYLIAY-CYBMUJFWSA-N 0 0 439.493 2.572 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CC(=O)NC4CCCCC4)CC3)ccc21 ZINC000013361302 519632520 /nfs/dbraw/zinc/63/25/20/519632520.db2.gz IRVGLQGJXFEZHG-UHFFFAOYSA-N 0 0 447.601 2.835 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CC(=O)N4CCC(C)CC4)CC3)ccc21 ZINC000035460817 519632891 /nfs/dbraw/zinc/63/28/91/519632891.db2.gz UIIQXXVYJRWUCA-UHFFFAOYSA-N 0 0 447.601 2.645 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC3CCCCC3)ccc21 ZINC000020232585 519633087 /nfs/dbraw/zinc/63/30/87/519633087.db2.gz NBNQPYVPGMRHNK-HXUWFJFHSA-N 0 0 435.590 2.738 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)Nc1ccccc1C ZINC000021022136 519639084 /nfs/dbraw/zinc/63/90/84/519639084.db2.gz ACPDCJUWSRSQKO-OAQYLSRUSA-N 0 0 427.526 2.696 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N3c4ccccc4C[C@@H]3C)cc2C[C@H]1C ZINC000020529571 519639412 /nfs/dbraw/zinc/63/94/12/519639412.db2.gz GSZMUKLFFYBRDL-CVEARBPZSA-N 0 0 441.553 2.630 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCc3ccccc3Cl)cc2C[C@@H]1C ZINC000020529379 519639486 /nfs/dbraw/zinc/63/94/86/519639486.db2.gz FXWSNCXYVXWASV-AWEZNQCLSA-N 0 0 449.960 2.622 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3cc(F)ccc3F)cc2C[C@H]1C ZINC000020529325 519639679 /nfs/dbraw/zinc/63/96/79/519639679.db2.gz AJHUWVPBHIEWQV-GFCCVEGCSA-N 0 0 437.468 2.569 50 0 IFAARN CC(=O)Nc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c1 ZINC000012815428 519713261 /nfs/dbraw/zinc/71/32/61/519713261.db2.gz JTCWHEXTRGLUAY-NRFANRHFSA-N 0 0 441.553 2.691 50 0 IFAARN CC(C)CN1C(=O)[C@@H](C(C)C)NC12CCN(S(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000036014259 519719336 /nfs/dbraw/zinc/71/93/36/519719336.db2.gz HMEVCLCSDWKUEL-GOSISDBHSA-N 0 0 427.998 2.933 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4n4cccc34)CC2)cc1 ZINC000021780193 519730794 /nfs/dbraw/zinc/73/07/94/519730794.db2.gz IBRPHBFMLOJWLB-UHFFFAOYSA-N 0 0 449.536 2.957 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)o2)cc1 ZINC000012917225 519733290 /nfs/dbraw/zinc/73/32/90/519733290.db2.gz COLNCSGNWGGYIR-ZDUSSCGKSA-N 0 0 447.542 2.938 50 0 IFAARN CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000012761460 519736724 /nfs/dbraw/zinc/73/67/24/519736724.db2.gz FFBKPTOPYYLIHF-UHFFFAOYSA-N 0 0 441.553 2.671 50 0 IFAARN CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nnc(Cc2cccc3ccccc32)n1N ZINC000014557710 519737569 /nfs/dbraw/zinc/73/75/69/519737569.db2.gz JINURWRFDTUWIK-AWEZNQCLSA-N 0 0 426.546 2.698 50 0 IFAARN CC(C)CNC(=O)[C@@H](C(C)C)N1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2C ZINC000035964711 519738522 /nfs/dbraw/zinc/73/85/22/519738522.db2.gz CJTPNBMWGIKXJA-RBUKOAKNSA-N 0 0 432.952 2.929 50 0 IFAARN CC(C)CNC(=O)[C@H](C)N1CC2=C(C1=O)[C@H](c1ccc(C(F)(F)F)cc1)NC(=O)N2C ZINC000035965896 519740068 /nfs/dbraw/zinc/74/00/68/519740068.db2.gz BDMYREBSNDYRDQ-SJCJKPOMSA-N 0 0 438.450 2.659 50 0 IFAARN CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O)CCCC2 ZINC000021602440 519754313 /nfs/dbraw/zinc/75/43/13/519754313.db2.gz GZQYRYSVDRYGFU-SECBINFHSA-N 0 0 435.527 2.930 50 0 IFAARN CC(C)[C@@H](NC(=O)CN1CCC(C(=O)N2CCCCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000012809916 519797068 /nfs/dbraw/zinc/79/70/68/519797068.db2.gz HLWKYUXJTYNYAK-XMMPIXPASA-N 0 0 443.588 2.996 50 0 IFAARN CC(C)[C@@H](NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccc2c(c1)OCCCO2 ZINC000035388172 519797124 /nfs/dbraw/zinc/79/71/24/519797124.db2.gz TZBSHODOWADBFX-GBXCKJPGSA-N 0 0 437.540 2.573 50 0 IFAARN CC(C)[C@@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 ZINC000021733451 519797172 /nfs/dbraw/zinc/79/71/72/519797172.db2.gz GWFJENFWGAGBIF-OXJNMPFZSA-N 0 0 447.561 2.619 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012758136 519799467 /nfs/dbraw/zinc/79/94/67/519799467.db2.gz JVHQTCXUZSUBRD-OAQYLSRUSA-N 0 0 430.526 2.888 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000012543767 519799480 /nfs/dbraw/zinc/79/94/80/519799480.db2.gz IOLTUNCHWCPUTH-HXUWFJFHSA-N 0 0 435.977 2.992 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012542433 519799504 /nfs/dbraw/zinc/79/95/04/519799504.db2.gz PQNHEIVHMGWQGK-HXUWFJFHSA-N 0 0 435.977 2.992 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000012543419 519799513 /nfs/dbraw/zinc/79/95/13/519799513.db2.gz RKOFYVMSUUMOPP-HXUWFJFHSA-N 0 0 435.977 2.992 50 0 IFAARN CC(C)[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1nc(-c2cccnc2)no1 ZINC000241911223 519818315 /nfs/dbraw/zinc/81/83/15/519818315.db2.gz UASLOHAFSWCJBV-NUJGCVRESA-N 0 0 425.489 2.510 50 0 IFAARN CCCN1CCN(C(=O)[C@H]2Cc3nc(NC(=O)c4cccc(F)c4)sc3C(=O)C2)CC1 ZINC000020451445 519856324 /nfs/dbraw/zinc/85/63/24/519856324.db2.gz FAOOLFLBJUHSNW-HNNXBMFYSA-N 0 0 444.532 2.834 50 0 IFAARN CCCC(=O)N1CCc2c(c(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)nn2C)C1 ZINC000035527185 519869648 /nfs/dbraw/zinc/86/96/48/519869648.db2.gz ORNPGSQLUFXAMC-QGZVFWFLSA-N 0 0 437.544 2.596 50 0 IFAARN CCNC(=O)c1cn(CC(C)C)cc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)c1=O ZINC000014995447 519901135 /nfs/dbraw/zinc/90/11/35/519901135.db2.gz NBYNRSXDBXBAEQ-UHFFFAOYSA-N 0 0 438.572 2.833 50 0 IFAARN CCN(C(=O)CN1c2cc(S(=O)(=O)N(C)C)ccc2SCC1=O)c1cccc(C)c1 ZINC000020583647 519914886 /nfs/dbraw/zinc/91/48/86/519914886.db2.gz JRJCAJCUNIIYSM-UHFFFAOYSA-N 0 0 447.582 2.737 50 0 IFAARN CC(C)n1c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2sc1=O ZINC000021358515 519928470 /nfs/dbraw/zinc/92/84/70/519928470.db2.gz VDPGJVMZZWLWFU-UHFFFAOYSA-N 0 0 445.566 2.791 50 0 IFAARN CC(C)n1c2nnc(-c3ccc(COc4ccccc4)cc3)n2c2c1c(=O)[nH]c(=O)n2C ZINC000023834258 519929501 /nfs/dbraw/zinc/92/95/01/519929501.db2.gz JFKXXNGFGGEYDX-UHFFFAOYSA-N 0 0 430.468 2.898 50 0 IFAARN CCN(C(=O)Cn1c(=O)c2cccnc2n(-c2ccc(OC)cc2)c1=O)c1ccccc1 ZINC000021723006 519934996 /nfs/dbraw/zinc/93/49/96/519934996.db2.gz QGMYRWKSSUDITO-UHFFFAOYSA-N 0 0 430.464 2.609 50 0 IFAARN CCCCCC(=O)Nc1ccc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000012850121 519937065 /nfs/dbraw/zinc/93/70/65/519937065.db2.gz ZUJBASMXRJSYIT-UHFFFAOYSA-N 0 0 443.500 2.796 50 0 IFAARN CC(C)n1ncc2cc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)s3)cnc21 ZINC000012782907 520084519 /nfs/dbraw/zinc/08/45/19/520084519.db2.gz KYEZROYVSSWBMJ-UHFFFAOYSA-N 0 0 427.939 2.986 50 0 IFAARN CCN(C)C(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2cc(OC)ccc2OC)on1 ZINC000036015332 520141024 /nfs/dbraw/zinc/14/10/24/520141024.db2.gz IMQPMCVSWNLICG-QGZVFWFLSA-N 0 0 445.516 2.848 50 0 IFAARN CC(C)n1nnnc1S[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012813394 520148205 /nfs/dbraw/zinc/14/82/05/520148205.db2.gz KIKLIABANTZUPG-CQSZACIVSA-N 0 0 438.579 2.548 50 0 IFAARN CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012813390 520149529 /nfs/dbraw/zinc/14/95/29/520149529.db2.gz KIKLIABANTZUPG-AWEZNQCLSA-N 0 0 438.579 2.548 50 0 IFAARN CCN(C)C(=O)[C@@H](C)N1CC2=C(C1=O)[C@H](c1ccccc1C(F)(F)F)NC(=O)N2CC ZINC000035966483 520189826 /nfs/dbraw/zinc/18/98/26/520189826.db2.gz GQLOEWBQAJOGSS-PXAZEXFGSA-N 0 0 438.450 2.755 50 0 IFAARN CCCOC(=O)c1ccc(NC(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)cc1 ZINC000020722201 520223081 /nfs/dbraw/zinc/22/30/81/520223081.db2.gz LUXHLIVRYLKLBB-UHFFFAOYSA-N 0 0 425.441 2.619 50 0 IFAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O ZINC000016046298 520245878 /nfs/dbraw/zinc/24/58/78/520245878.db2.gz UYCYTFBXDAOCRI-QFIPXVFZSA-N 0 0 438.509 2.595 50 0 IFAARN CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)C1 ZINC000078935322 520254460 /nfs/dbraw/zinc/25/44/60/520254460.db2.gz LUOYEZYNERNJAV-QGZVFWFLSA-N 0 0 431.558 2.910 50 0 IFAARN CCCOc1ccc(CNC(=O)c2ccc(CN3CC(=O)N4CCC[C@@H]4C3=O)cc2)cc1 ZINC000021527267 520363308 /nfs/dbraw/zinc/36/33/08/520363308.db2.gz DSCPSEUYHWEPRI-JOCHJYFZSA-N 0 0 435.524 2.739 50 0 IFAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CN(C)Cc2ccncc2)CC1 ZINC000012430749 520462134 /nfs/dbraw/zinc/46/21/34/520462134.db2.gz WCPGPXSQEOKEDG-UHFFFAOYSA-N 0 0 439.556 2.937 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(F)c3)c(=O)n2[C@H]1c1ccc(O)cc1 ZINC000008432638 520484770 /nfs/dbraw/zinc/48/47/70/520484770.db2.gz BABJRTWFMGHNSW-YWFITGJYSA-N 0 0 438.480 2.643 50 0 IFAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCCc1ccc(OC)cc1 ZINC000022096085 520493848 /nfs/dbraw/zinc/49/38/48/520493848.db2.gz QKYCFAQPFQOJIV-UHFFFAOYSA-N 0 0 431.485 2.675 50 0 IFAARN CCOC(=O)C1C(CN(CCOC)Cc2ccco2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560340 520509203 /nfs/dbraw/zinc/50/92/03/520509203.db2.gz VFEPRRQOIPPSKP-OAQYLSRUSA-N 0 0 427.501 2.908 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(CC)cc2)[C@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870175 520517310 /nfs/dbraw/zinc/51/73/10/520517310.db2.gz UCADPCMNBBDZEI-QHCPKHFHSA-N 0 0 449.617 2.845 50 0 IFAARN CCOC(=O)C1=C(N)Nc2ccccc2[C@@]12C(=O)OC(C)=C2C(=O)OCc1ccccc1 ZINC000020609458 520530833 /nfs/dbraw/zinc/53/08/33/520530833.db2.gz RABSRVXOMFXMOF-DEOSSOPVSA-N 0 0 434.448 2.658 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1cccnc1)C(=O)[C@@H]1CCCCN21 ZINC000035445597 520557925 /nfs/dbraw/zinc/55/79/25/520557925.db2.gz FAKQBVDEMLJZLJ-NRFANRHFSA-N 0 0 449.555 2.586 50 0 IFAARN CCCCN1C(=O)c2cc(C(=O)NCCC(C)C)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021531064 520564598 /nfs/dbraw/zinc/56/45/98/520564598.db2.gz JMUYDIHBBGSNDR-HSZRJFAPSA-N 0 0 431.581 2.732 50 0 IFAARN CCCCNC(=O)c1c(C)c2c(=O)n(CC(=O)NCc3ccccc3Cl)ncn2c1C ZINC000021363924 520680641 /nfs/dbraw/zinc/68/06/41/520680641.db2.gz KMTAWKZVOYRBIN-UHFFFAOYSA-N 0 0 443.935 2.613 50 0 IFAARN CCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccccc1C)N2 ZINC000020767849 520686385 /nfs/dbraw/zinc/68/63/85/520686385.db2.gz BRIAQOUCMVCXFD-HXUWFJFHSA-N 0 0 429.542 2.873 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c1 ZINC000036628798 520795844 /nfs/dbraw/zinc/79/58/44/520795844.db2.gz NBQILLSWQBGJQS-BTYIYWSLSA-N 0 0 447.557 2.950 50 0 IFAARN CCOC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000033448526 520800899 /nfs/dbraw/zinc/80/08/99/520800899.db2.gz OWYSEPOHFUZZSA-YVLHZVERSA-N 0 0 428.416 2.869 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000022024467 520805388 /nfs/dbraw/zinc/80/53/88/520805388.db2.gz BRHYTUQMNWPHQM-UHFFFAOYSA-N 0 0 431.514 2.802 50 0 IFAARN CCOC(=O)CSc1nc2nc(N3CCOCC3)ncc2c(Nc2ccccc2)n1 ZINC000001036575 520812464 /nfs/dbraw/zinc/81/24/64/520812464.db2.gz FEXNBGXXLLJEDW-UHFFFAOYSA-N 0 0 426.502 2.655 50 0 IFAARN C=C1C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000020977113 520842237 /nfs/dbraw/zinc/84/22/37/520842237.db2.gz OTVRAWQZZGMXRU-UHFFFAOYSA-N 0 0 443.500 2.845 50 0 IFAARN CCOc1ccc(/C=c2\sc3nnc(-c4ccc(OC)c(OC)c4)n3c2=O)cc1OC ZINC000012412035 520857397 /nfs/dbraw/zinc/85/73/97/520857397.db2.gz UPZCGDJMSZMSDR-ODLFYWEKSA-N 0 0 439.493 2.790 50 0 IFAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000020932792 520901268 /nfs/dbraw/zinc/90/12/68/520901268.db2.gz WYDNPWMUGXKXIH-IBGZPJMESA-N 0 0 449.525 2.954 50 0 IFAARN CCOC(=O)Cn1cc(C(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)c2ccc(C)nc21 ZINC000021729821 520918214 /nfs/dbraw/zinc/91/82/14/520918214.db2.gz NCRJKAKKRIFKKL-UHFFFAOYSA-N 0 0 437.452 2.697 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)C[S@](=O)Cc2nc(-c3cccc(C)c3)oc2C)CC1 ZINC000020856259 520926956 /nfs/dbraw/zinc/92/69/56/520926956.db2.gz AVYCEUHHHXAWRG-HKBQPEDESA-N 0 0 447.557 2.944 50 0 IFAARN CCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)CC1 ZINC000012160652 520946812 /nfs/dbraw/zinc/94/68/12/520946812.db2.gz LKKTWPPIHMYLJO-HNNXBMFYSA-N 0 0 445.545 2.869 50 0 IFAARN CCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)NC3CCCCCC3)cs2)CC1 ZINC000012160612 520946843 /nfs/dbraw/zinc/94/68/43/520946843.db2.gz BEDANRSKOQUMLG-UHFFFAOYSA-N 0 0 437.566 2.831 50 0 IFAARN CCOC(=O)N1CCN(CC(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)CC1 ZINC000035565464 520953699 /nfs/dbraw/zinc/95/36/99/520953699.db2.gz BVNRHQCKONDMMR-UHFFFAOYSA-N 0 0 428.518 2.503 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CN1CCN(Cc3nc4ccccc4s3)CC1)C2=O ZINC000022912913 520964897 /nfs/dbraw/zinc/96/48/97/520964897.db2.gz AMPGYIOSXCRCKQ-UHFFFAOYSA-N 0 0 427.574 2.872 50 0 IFAARN CC1CCN(C(=O)CCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 ZINC000035399027 520973991 /nfs/dbraw/zinc/97/39/91/520973991.db2.gz MMBJXDLNNSQAGZ-UHFFFAOYSA-N 0 0 447.601 2.789 50 0 IFAARN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000012712907 520974389 /nfs/dbraw/zinc/97/43/89/520974389.db2.gz LIQBRSHMGOQHTC-OAQYLSRUSA-N 0 0 429.948 2.788 50 0 IFAARN CC1CCN(C(=O)CN2c3cc(C(=O)N4CCCC4)ccc3N3CCCC[C@@H]3C2=O)CC1 ZINC000035445761 520975802 /nfs/dbraw/zinc/97/58/02/520975802.db2.gz ZHUFCVVLWRZLLU-OAQYLSRUSA-N 0 0 438.572 2.887 50 0 IFAARN CC1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)CC1 ZINC000012579830 520975828 /nfs/dbraw/zinc/97/58/28/520975828.db2.gz VVDGLOYFDRPMCU-UHFFFAOYSA-N 0 0 432.590 2.939 50 0 IFAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4cccnc4n(CC)c3=O)C2)cc1 ZINC000033259470 520992351 /nfs/dbraw/zinc/99/23/51/520992351.db2.gz KCGQCPHAJNAGAI-GOSISDBHSA-N 0 0 435.528 2.743 50 0 IFAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)c3ccc(F)cc3)C2)cc1 ZINC000015677802 520992624 /nfs/dbraw/zinc/99/26/24/520992624.db2.gz DJYFEJUZOPAPBE-GOSISDBHSA-N 0 0 449.548 2.934 50 0 IFAARN CCOc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1OC ZINC000035561193 520995279 /nfs/dbraw/zinc/99/52/79/520995279.db2.gz YHWGZSRIADSXMX-UHFFFAOYSA-N 0 0 445.541 2.766 50 0 IFAARN CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3Cl)n(N)c2=O)cc1 ZINC000012347908 521013829 /nfs/dbraw/zinc/01/38/29/521013829.db2.gz LQWMTRFCPDZUHH-UHFFFAOYSA-N 0 0 445.932 2.726 50 0 IFAARN CCN(CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1)C(=O)OC(C)(C)C ZINC000036393904 521018611 /nfs/dbraw/zinc/01/86/11/521018611.db2.gz FANJJDLPKQEUCT-MRXNPFEDSA-N 0 0 449.548 2.820 50 0 IFAARN CC1CCN(Cc2nnnn2CCCC(=O)N[C@H](c2ccccn2)C(F)(F)F)CC1 ZINC000012298494 521027343 /nfs/dbraw/zinc/02/73/43/521027343.db2.gz DMRNRZBZVWNVHF-GOSISDBHSA-N 0 0 425.459 2.500 50 0 IFAARN CCOc1ccc(N2CCn3c2nnc(C(=O)N[C@@H](C)CCc2ccccc2)c3=O)cc1 ZINC000012234163 521042917 /nfs/dbraw/zinc/04/29/17/521042917.db2.gz BOWHJBNNCVUCNG-KRWDZBQOSA-N 0 0 433.512 2.940 50 0 IFAARN CC1CCN(c2nn3c(ncc(C(=O)NCCc4c[nH]c5ccccc45)c3=O)s2)CC1 ZINC000020987251 521050263 /nfs/dbraw/zinc/05/02/63/521050263.db2.gz ADWMTHXUCLMOGF-UHFFFAOYSA-N 0 0 436.541 2.841 50 0 IFAARN CCOc1ccc(NC(=O)CN2C(=O)C(C)=C(c3ccc(OC)cc3)S2(=O)=O)cc1 ZINC000035534612 521057855 /nfs/dbraw/zinc/05/78/55/521057855.db2.gz PUPDPZHOXNAMGP-UHFFFAOYSA-N 0 0 430.482 2.636 50 0 IFAARN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000012412333 521068957 /nfs/dbraw/zinc/06/89/57/521068957.db2.gz IAYMMRZDTONQQU-QGZVFWFLSA-N 0 0 449.536 2.899 50 0 IFAARN CCOc1ccc(NC(=O)CSc2nnc3c4sc(N(C)C)nc4ncn23)cc1 ZINC000033300855 521070499 /nfs/dbraw/zinc/07/04/99/521070499.db2.gz JHDWNMNUKSCDID-UHFFFAOYSA-N 0 0 429.531 2.930 50 0 IFAARN CCC(=O)N(c1nnc(SCC(=O)Nc2ccccc2S(C)(=O)=O)s1)C1CC1 ZINC000012582696 521091604 /nfs/dbraw/zinc/09/16/04/521091604.db2.gz QNAKJEDKHIAHMT-UHFFFAOYSA-N 0 0 440.572 2.578 50 0 IFAARN CCOc1ccc(NC(=O)c2cc3c(c(Cl)c2)OCO3)cc1S(=O)(=O)N(C)C ZINC000012690149 521114273 /nfs/dbraw/zinc/11/42/73/521114273.db2.gz XJHMARGFJPNASH-UHFFFAOYSA-N 0 0 426.878 2.970 50 0 IFAARN CCOc1ccc(NCC(=O)NC(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000012523366 521126660 /nfs/dbraw/zinc/12/66/60/521126660.db2.gz DRAOPIAASZUXEY-UHFFFAOYSA-N 0 0 446.529 2.630 50 0 IFAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCCC3=O)cc2)cc1 ZINC000012536125 521129862 /nfs/dbraw/zinc/12/98/62/521129862.db2.gz KFSDHYSRGOHMCD-UHFFFAOYSA-N 0 0 445.541 2.628 50 0 IFAARN CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000015506138 521250900 /nfs/dbraw/zinc/25/09/00/521250900.db2.gz ZOORSAIISUSPPR-IVZQSRNASA-N 0 0 432.423 2.764 50 0 IFAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CN2C(=O)CSC2=O)C1 ZINC000015071760 521356013 /nfs/dbraw/zinc/35/60/13/521356013.db2.gz GNVKHSDXLYRLKI-FQEVSTJZSA-N 0 0 438.933 2.750 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(C(C)=O)s2)c(=O)[nH]c1=O ZINC000021588750 521370957 /nfs/dbraw/zinc/37/09/57/521370957.db2.gz VZSAEQBDDBINRU-UHFFFAOYSA-N 0 0 430.486 2.623 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1C ZINC000009544418 521374136 /nfs/dbraw/zinc/37/41/36/521374136.db2.gz TTWKTEXIEKMJMM-QGZVFWFLSA-N 0 0 436.468 2.635 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2)C1 ZINC000020582416 521381377 /nfs/dbraw/zinc/38/13/77/521381377.db2.gz SVFRXERYRVUORS-SFHVURJKSA-N 0 0 447.557 2.525 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)COc1ccc(C(=O)OC)cc1 ZINC000012795299 521387507 /nfs/dbraw/zinc/38/75/07/521387507.db2.gz ALMOLCROAYGOQG-UHFFFAOYSA-N 0 0 435.454 2.824 50 0 IFAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccc(-n2cncn2)cc1 ZINC000022890444 521390572 /nfs/dbraw/zinc/39/05/72/521390572.db2.gz PFHQEQRJVJBPOY-UHFFFAOYSA-N 0 0 428.470 2.918 50 0 IFAARN CCOC(=O)c1c(C)oc2nc(COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)nc(N)c21 ZINC000012557820 521402808 /nfs/dbraw/zinc/40/28/08/521402808.db2.gz NQSGMAJIKIDIAQ-UHFFFAOYSA-N 0 0 446.504 2.618 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccn3c(=O)n1)CCC2 ZINC000016048062 521416736 /nfs/dbraw/zinc/41/67/36/521416736.db2.gz SJOCGLALGUHGCU-UHFFFAOYSA-N 0 0 430.511 2.547 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(CC)c2)cn1C ZINC000035376235 521447163 /nfs/dbraw/zinc/44/71/63/521447163.db2.gz BVXLDMVJRWXGDB-GOSISDBHSA-N 0 0 433.530 2.556 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(c1cccc(F)c1)C2=O ZINC000021879035 521451891 /nfs/dbraw/zinc/45/18/91/521451891.db2.gz FZSOSCRHRFRROD-QFIPXVFZSA-N 0 0 428.464 2.677 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(c1ccc(F)cc1)C2=O ZINC000021781332 521452375 /nfs/dbraw/zinc/45/23/75/521452375.db2.gz ATRZRNYCIPGREP-QFIPXVFZSA-N 0 0 430.480 2.780 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(Cc1ccc(F)cc1)C2=O ZINC000021781392 521452504 /nfs/dbraw/zinc/45/25/04/521452504.db2.gz DGZBHABAKOAKFK-QHCPKHFHSA-N 0 0 444.507 2.776 50 0 IFAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CN1c2ccccc2OCCC1=O ZINC000012762746 521453999 /nfs/dbraw/zinc/45/39/99/521453999.db2.gz NAELMALTWSKFIW-UHFFFAOYSA-N 0 0 440.887 2.741 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(c1cccc(OC)c1)C2=O ZINC000021781311 521454208 /nfs/dbraw/zinc/45/42/08/521454208.db2.gz JLHSJMHBQVJQKI-QHCPKHFHSA-N 0 0 442.516 2.650 50 0 IFAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CNC(=O)c1cc(C)cc(C)c1 ZINC000012916590 521455158 /nfs/dbraw/zinc/45/51/58/521455158.db2.gz FRWBRZHHSSIHEY-UHFFFAOYSA-N 0 0 426.904 2.972 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(c1cccc(OC)c1)C2=O ZINC000021781308 521457044 /nfs/dbraw/zinc/45/70/44/521457044.db2.gz JLHSJMHBQVJQKI-HSZRJFAPSA-N 0 0 442.516 2.650 50 0 IFAARN CCC(CC)C(=O)N1CCN(c2ncccc2C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000022655094 521490039 /nfs/dbraw/zinc/49/00/39/521490039.db2.gz YXHLCXXEXQYORE-UHFFFAOYSA-N 0 0 438.528 2.825 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n32)cc1 ZINC000021537368 521497244 /nfs/dbraw/zinc/49/72/44/521497244.db2.gz TWMRINPPCFWIAD-UHFFFAOYSA-N 0 0 449.492 2.992 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 ZINC000020716146 521500184 /nfs/dbraw/zinc/50/01/84/521500184.db2.gz WHFQASMQWTYOSR-KRWDZBQOSA-N 0 0 435.440 2.652 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2cc(C(=O)OCC)c(=O)c3ccc(C)nc32)cc1 ZINC000020986468 521501930 /nfs/dbraw/zinc/50/19/30/521501930.db2.gz SOZCIDYKEXACIC-UHFFFAOYSA-N 0 0 437.452 2.697 50 0 IFAARN CCCc1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cs1 ZINC000012907496 521508760 /nfs/dbraw/zinc/50/87/60/521508760.db2.gz ICEKIAZRRKDATI-UHFFFAOYSA-N 0 0 437.587 2.763 50 0 IFAARN CCN1C(=O)C[C@@](CC(=O)N(C)C2CCOCC2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000012160666 521522108 /nfs/dbraw/zinc/52/21/08/521522108.db2.gz CSVKGYSFPKAENW-FQEVSTJZSA-N 0 0 426.435 2.750 50 0 IFAARN CCOc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000020529559 521524825 /nfs/dbraw/zinc/52/48/25/521524825.db2.gz JOSCPAMRKAXCBX-HNNXBMFYSA-N 0 0 445.541 2.690 50 0 IFAARN CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020487118 521525939 /nfs/dbraw/zinc/52/59/39/521525939.db2.gz UTBOXESHCAZFHK-UHFFFAOYSA-N 0 0 445.541 2.599 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)Cc3ccccc3)CC2)o1 ZINC000032940539 521526602 /nfs/dbraw/zinc/52/66/02/521526602.db2.gz KLBWEOTZRSBIMX-UHFFFAOYSA-N 0 0 448.541 2.906 50 0 IFAARN CCOc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012881439 521526840 /nfs/dbraw/zinc/52/68/40/521526840.db2.gz RAWQDIFABIDSLL-UHFFFAOYSA-N 0 0 443.569 2.519 50 0 IFAARN CCN1C2=C(C(=O)N(CC(=O)NC3CC3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035967129 521541853 /nfs/dbraw/zinc/54/18/53/521541853.db2.gz JKODBGRCZWTGKV-QHCPKHFHSA-N 0 0 446.507 2.940 50 0 IFAARN CCN1C2=C(C(=O)N(CC(=O)NC3CC3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035967131 521542341 /nfs/dbraw/zinc/54/23/41/521542341.db2.gz JKODBGRCZWTGKV-HSZRJFAPSA-N 0 0 446.507 2.940 50 0 IFAARN CCCc1noc(CCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000022754337 521577399 /nfs/dbraw/zinc/57/73/99/521577399.db2.gz BLLPWDIITDWBRC-UHFFFAOYSA-N 0 0 442.541 2.641 50 0 IFAARN CCOC(=O)c1nc2ccccc2nc1N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000023334702 521600152 /nfs/dbraw/zinc/60/01/52/521600152.db2.gz ONRUFVASWAFXKL-UHFFFAOYSA-N 0 0 433.512 2.835 50 0 IFAARN CCN1CCN(C(=O)Cc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)CC1 ZINC000020759992 521664169 /nfs/dbraw/zinc/66/41/69/521664169.db2.gz CJXPWFFDORIGQB-UHFFFAOYSA-N 0 0 428.529 2.920 50 0 IFAARN CCN1CCN(C(=O)c2cc(NC(=O)C3CCCCC3)cc3ncn(CCOC)c32)CC1 ZINC000012243942 521669704 /nfs/dbraw/zinc/66/97/04/521669704.db2.gz TYTJMWWBFBAVLR-UHFFFAOYSA-N 0 0 441.576 2.979 50 0 IFAARN CCS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000022285897 521689262 /nfs/dbraw/zinc/68/92/62/521689262.db2.gz ZORPVNMLWUHTSF-SZNDQCEHSA-N 0 0 435.546 2.556 50 0 IFAARN CCS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000022285893 521689277 /nfs/dbraw/zinc/68/92/77/521689277.db2.gz ZORPVNMLWUHTSF-QKKBWIMNSA-N 0 0 435.546 2.556 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccccc3)c2)CC1 ZINC000032975545 521690523 /nfs/dbraw/zinc/69/05/23/521690523.db2.gz KIPGTEFETMILNY-UHFFFAOYSA-N 0 0 435.977 2.938 50 0 IFAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000015943688 521694527 /nfs/dbraw/zinc/69/45/27/521694527.db2.gz NXXZBCDIJZJWGE-OKILXGFUSA-N 0 0 444.600 2.692 50 0 IFAARN CCOCCCNC(=O)C1CCN(c2ccc3nnc(-c4ccc(OC)cc4)n3n2)CC1 ZINC000033260050 521710587 /nfs/dbraw/zinc/71/05/87/521710587.db2.gz OVQFGUVGDKVYAQ-UHFFFAOYSA-N 0 0 438.532 2.559 50 0 IFAARN CCNC(=O)N(CC)Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1CCOC ZINC000036040527 521739302 /nfs/dbraw/zinc/73/93/02/521739302.db2.gz KNCOYMDIPJFXTB-UHFFFAOYSA-N 0 0 442.969 2.708 50 0 IFAARN CCNC(=O)N(CCOC)Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1C(C)C ZINC000036031599 521739410 /nfs/dbraw/zinc/73/94/10/521739410.db2.gz WGICICHLRBTUHI-UHFFFAOYSA-N 0 0 436.578 2.924 50 0 IFAARN COC(=O)c1c(C)c(C(=O)[C@@H](C)N(C2CC2)S(=O)(=O)c2ccc(F)cc2)c(C)n1C ZINC000036018930 521751759 /nfs/dbraw/zinc/75/17/59/521751759.db2.gz MDBKSPXHNSHPTD-CQSZACIVSA-N 0 0 436.505 2.992 50 0 IFAARN COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CCN(C(=O)CCC(F)(F)F)CC2 ZINC000014989559 521775001 /nfs/dbraw/zinc/77/50/01/521775001.db2.gz ONNHAJMPAWNQRS-UHFFFAOYSA-N 0 0 430.423 2.684 50 0 IFAARN COC(=O)c1cc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)n2)c[nH]1 ZINC000012892096 521796752 /nfs/dbraw/zinc/79/67/52/521796752.db2.gz RHEMOSZWUSACHX-CYBMUJFWSA-N 0 0 440.481 2.925 50 0 IFAARN CNC(=O)c1ccc(CN2C(=O)C(C)=C(c3cccc(Br)c3)S2(=O)=O)cc1 ZINC000021913517 521808972 /nfs/dbraw/zinc/80/89/72/521808972.db2.gz VSADKEMKDMOLDK-UHFFFAOYSA-N 0 0 449.326 2.912 50 0 IFAARN CC[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035402963 521849788 /nfs/dbraw/zinc/84/97/88/521849788.db2.gz OXEJZFXYBZYHGH-IBGZPJMESA-N 0 0 431.895 2.745 50 0 IFAARN COC(=O)c1cc(CNC(=O)c2cncs2)cc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000012218297 521854220 /nfs/dbraw/zinc/85/42/20/521854220.db2.gz CXMMQQOJRMWCQL-UHFFFAOYSA-N 0 0 449.485 2.800 50 0 IFAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000035392578 521869294 /nfs/dbraw/zinc/86/92/94/521869294.db2.gz XPWONNVYLBVFEH-UHFFFAOYSA-N 0 0 448.567 2.701 50 0 IFAARN COC(=O)c1cc(I)c(OC(C)=O)c(I)c1 ZINC000012368178 521873204 /nfs/dbraw/zinc/87/32/04/521873204.db2.gz ONJATBCIEXMOGN-UHFFFAOYSA-N 0 0 445.978 2.608 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc(C(=O)OC)c1 ZINC000012785898 521888704 /nfs/dbraw/zinc/88/87/04/521888704.db2.gz GUKOHCYNCLMGRC-INIZCTEOSA-N 0 0 444.871 2.900 50 0 IFAARN COC(=O)c1cc(NCC(=O)Nc2cc3c(cc2Cl)OCCO3)cc(C(=O)OC)c1 ZINC000012528652 521893301 /nfs/dbraw/zinc/89/33/01/521893301.db2.gz ATPMLVWXGPNKRN-UHFFFAOYSA-N 0 0 434.832 2.735 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000020767711 521899891 /nfs/dbraw/zinc/89/98/91/521899891.db2.gz DVTNKONOPRPPAY-UHFFFAOYSA-N 0 0 443.481 2.691 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(Cl)c2C)cn1C ZINC000035375970 521906910 /nfs/dbraw/zinc/90/69/10/521906910.db2.gz LNZAYYJNNFLAOE-INIZCTEOSA-N 0 0 439.921 2.565 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cn1C ZINC000035375977 521907162 /nfs/dbraw/zinc/90/71/62/521907162.db2.gz AEBNCALXDLIZCH-MRXNPFEDSA-N 0 0 439.921 2.565 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(c1ccc(F)cc1C)C2=O ZINC000021878201 521919514 /nfs/dbraw/zinc/91/95/14/521919514.db2.gz VHWBJKNENQGZEB-QFIPXVFZSA-N 0 0 428.464 2.595 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1)C2=O ZINC000021878472 521920167 /nfs/dbraw/zinc/92/01/67/521920167.db2.gz IHKGRWOYHQTJSQ-DEOSSOPVSA-N 0 0 438.528 2.923 50 0 IFAARN COc1cc(/C=C/C(=O)N2CCC2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000012873561 521925788 /nfs/dbraw/zinc/92/57/88/521925788.db2.gz GPFCCOQDLJTLFL-CMDGGOBGSA-N 0 0 428.510 2.701 50 0 IFAARN COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1O ZINC000022357400 521936510 /nfs/dbraw/zinc/93/65/10/521936510.db2.gz HTSNAWWCEMKTBM-WJXUGBSRSA-N 0 0 426.469 2.821 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3nnc(-c4ccco4)o3)CC2)cc1 ZINC000035597650 521973394 /nfs/dbraw/zinc/97/33/94/521973394.db2.gz RHHYRJHFTUGPTL-UHFFFAOYSA-N 0 0 430.486 2.600 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3nc4ccccc4s3)o2)cc1 ZINC000035590046 521975512 /nfs/dbraw/zinc/97/55/12/521975512.db2.gz PMCOJIJTKVQDMZ-UHFFFAOYSA-N 0 0 429.483 2.849 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000016838724 521980687 /nfs/dbraw/zinc/98/06/87/521980687.db2.gz YQNKJFUWTXLSGE-UHFFFAOYSA-N 0 0 430.438 2.678 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCCOc2ccccc2F)c1 ZINC000012526748 521986792 /nfs/dbraw/zinc/98/67/92/521986792.db2.gz KOWLPLKNONZLBA-UHFFFAOYSA-N 0 0 436.505 2.912 50 0 IFAARN CC[C@@H](C)CN1C(=O)[C@@H](C)NC12CCN(S(=O)(=O)c1cccc3cccnc31)CC2 ZINC000036027220 521987019 /nfs/dbraw/zinc/98/70/19/521987019.db2.gz STBPXBFDRJURCT-IAGOWNOFSA-N 0 0 430.574 2.582 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCc3cccnc3)n2Cc2ccncc2)c1 ZINC000035509495 521992897 /nfs/dbraw/zinc/99/28/97/521992897.db2.gz RNUUMCSZJCKSHY-UHFFFAOYSA-N 0 0 449.536 2.660 50 0 IFAARN COCCn1c(CN(CC2CC2)C(=O)C2CC2)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036039902 522068818 /nfs/dbraw/zinc/06/88/18/522068818.db2.gz OFHLPDDDQZNYSE-UHFFFAOYSA-N 0 0 449.548 2.791 50 0 IFAARN COCCn1c([C@H]2CCN(S(=O)(=O)c3ccc(Cl)s3)C2)nc2cccnc21 ZINC000065285265 522073867 /nfs/dbraw/zinc/07/38/67/522073867.db2.gz OACNYDKLWGDBKE-LBPRGKRZSA-N 0 0 426.951 2.971 50 0 IFAARN COc1cc(C(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc(OC)c1OC ZINC000020726991 522083369 /nfs/dbraw/zinc/08/33/69/522083369.db2.gz AJCBBRHSWYZUTQ-UHFFFAOYSA-N 0 0 437.496 2.802 50 0 IFAARN CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccc2c(c1)OCO2 ZINC000012196908 522088022 /nfs/dbraw/zinc/08/80/22/522088022.db2.gz LTWQBFTUCUMLAG-LLVKDONJSA-N 0 0 433.349 2.821 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 ZINC000012555298 522092303 /nfs/dbraw/zinc/09/23/03/522092303.db2.gz CTCGCXKDMLOXFD-NRFANRHFSA-N 0 0 437.496 2.692 50 0 IFAARN COc1cc(C(=O)N[C@H](C(=O)NCc2ccc3c(c2)OCO3)C(C)C)cc(OC)c1OC ZINC000020888998 522140041 /nfs/dbraw/zinc/14/00/41/522140041.db2.gz NDPZIYYMJAMFAY-FQEVSTJZSA-N 0 0 444.484 2.512 50 0 IFAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4ccccn4)CC3)c2)no1 ZINC000021707965 522151417 /nfs/dbraw/zinc/15/14/17/522151417.db2.gz MDXURFNLYKGISK-UHFFFAOYSA-N 0 0 447.542 2.795 50 0 IFAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000245284290 522177268 /nfs/dbraw/zinc/17/72/68/522177268.db2.gz RJEFWYDMCBHJSE-KFOHMRLHSA-N 0 0 432.517 2.774 50 0 IFAARN COC(=O)c1ccc2c(c1)s/c(=N/C(=O)CCCS(=O)(=O)c1ccccc1)n2C ZINC000012630010 522185752 /nfs/dbraw/zinc/18/57/52/522185752.db2.gz RAWHGGGZTNUCLT-QZQOTICOSA-N 0 0 432.523 2.708 50 0 IFAARN COC(=O)c1ccc2oc(=O)n(C3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)c2c1 ZINC000022667937 522189438 /nfs/dbraw/zinc/18/94/38/522189438.db2.gz QNJYSIRZTFYWDC-UHFFFAOYSA-N 0 0 440.452 2.876 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc(C)c1C ZINC000012911517 522259236 /nfs/dbraw/zinc/25/92/36/522259236.db2.gz RXYDULLFVPUZMZ-SFHVURJKSA-N 0 0 430.526 2.960 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)ccc1OC ZINC000012615509 522266093 /nfs/dbraw/zinc/26/60/93/522266093.db2.gz OLPCDEOIMYYLTJ-UHFFFAOYSA-N 0 0 431.539 2.965 50 0 IFAARN COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 ZINC000024611532 522270582 /nfs/dbraw/zinc/27/05/82/522270582.db2.gz VBDWGSOXWASUGE-UHFFFAOYSA-N 0 0 430.526 2.962 50 0 IFAARN CNS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000012916419 522296514 /nfs/dbraw/zinc/29/65/14/522296514.db2.gz BMEOQSKDFIWPHP-UHFFFAOYSA-N 0 0 446.506 2.615 50 0 IFAARN COC(=O)c1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c2nc(C)ccc2c1=O ZINC000021894446 522312276 /nfs/dbraw/zinc/31/22/76/522312276.db2.gz VZUCNIDMINJGKU-UHFFFAOYSA-N 0 0 433.508 2.973 50 0 IFAARN COc1cc(CCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)ccc1OC(F)F ZINC000024571401 522333970 /nfs/dbraw/zinc/33/39/70/522333970.db2.gz WTNPACWVZLYQKZ-AWEZNQCLSA-N 0 0 448.422 2.737 50 0 IFAARN COc1cc(CN(C(=O)c2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000016751882 522341641 /nfs/dbraw/zinc/34/16/41/522341641.db2.gz QYNULFCQWCSZCC-KRWDZBQOSA-N 0 0 437.489 2.681 50 0 IFAARN COC(=O)c1cnn(-c2ccc(C(=O)Nc3ncc(-c4ccc(OC)cc4)n3C)cc2)c1N ZINC000021652374 522352906 /nfs/dbraw/zinc/35/29/06/522352906.db2.gz IISUPWKETBYYJI-UHFFFAOYSA-N 0 0 446.467 2.903 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCOC ZINC000012888558 522379411 /nfs/dbraw/zinc/37/94/11/522379411.db2.gz OMMMDYIFLSTSLG-AQHYUZTGSA-N 0 0 447.601 2.719 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccc(Cl)cc1)[C@](C)(C(=O)NC1CCCC1)C2 ZINC000021872719 522391789 /nfs/dbraw/zinc/39/17/89/522391789.db2.gz ZXWUZSZJNANKRA-QFIPXVFZSA-N 0 0 444.919 2.797 50 0 IFAARN CN(CC(=O)N1CC=C(c2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000021368238 522427112 /nfs/dbraw/zinc/42/71/12/522427112.db2.gz KIAHKHSDNAGDHY-UHFFFAOYSA-N 0 0 439.537 2.508 50 0 IFAARN CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020486966 522469793 /nfs/dbraw/zinc/46/97/93/522469793.db2.gz UMLPOKDNYGSOES-UHFFFAOYSA-N 0 0 435.590 2.790 50 0 IFAARN CN(CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)S(=O)(=O)/C=C/c1ccccc1 ZINC000012548042 522501159 /nfs/dbraw/zinc/50/11/59/522501159.db2.gz YGLRYHHBDDGEDX-NTCAYCPXSA-N 0 0 438.509 2.522 50 0 IFAARN CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N1CCN(Cc2ccccc2F)CC1 ZINC000012792913 522502327 /nfs/dbraw/zinc/50/23/27/522502327.db2.gz TWFARNSLMPGCLR-UHFFFAOYSA-N 0 0 432.927 2.694 50 0 IFAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CCn1c(=O)oc2ccccc21 ZINC000012812438 522505323 /nfs/dbraw/zinc/50/53/23/522505323.db2.gz BISNTLIHNGSEKR-UHFFFAOYSA-N 0 0 437.374 2.980 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000012858532 522518437 /nfs/dbraw/zinc/51/84/37/522518437.db2.gz SVFOTTVCZXEMMY-UHFFFAOYSA-N 0 0 432.402 2.972 50 0 IFAARN CCc1nc2sc([C@@H](c3ccc(OC)cc3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854134 522533506 /nfs/dbraw/zinc/53/35/06/522533506.db2.gz FLWBPKPBJWNGPN-QGZVFWFLSA-N 0 0 430.530 2.996 50 0 IFAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000012789786 522626381 /nfs/dbraw/zinc/62/63/81/522626381.db2.gz UCHAAJKSOJEUKU-DZGCQCFKSA-N 0 0 438.933 2.843 50 0 IFAARN COc1cc(NC(=O)CCc2nnc3ccc(NCc4cccnc4)nn32)cc(OC)c1 ZINC000015776301 522654656 /nfs/dbraw/zinc/65/46/56/522654656.db2.gz MTFGVKCHERPKRU-UHFFFAOYSA-N 0 0 433.472 2.720 50 0 IFAARN COc1cc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc(OC)c1OC ZINC000012682804 522659256 /nfs/dbraw/zinc/65/92/56/522659256.db2.gz SCKHUZDFAANDHD-WHEQGISXSA-N 0 0 433.505 2.788 50 0 IFAARN COc1cc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc(OC)c1OC ZINC000012682813 522659841 /nfs/dbraw/zinc/65/98/41/522659841.db2.gz SCKHUZDFAANDHD-DMZKTXOQSA-N 0 0 433.505 2.788 50 0 IFAARN COc1cc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc(OC)c1 ZINC000012554976 522661205 /nfs/dbraw/zinc/66/12/05/522661205.db2.gz QXAYBJOTJIQCCX-JOCHJYFZSA-N 0 0 439.512 2.922 50 0 IFAARN CN(CC1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000012711594 522662640 /nfs/dbraw/zinc/66/26/40/522662640.db2.gz LUIZBGHMMRKFLE-DEOSSOPVSA-N 0 0 435.568 2.929 50 0 IFAARN CN(CCCC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000021005299 522717002 /nfs/dbraw/zinc/71/70/02/522717002.db2.gz NPKRTBWWKRTOLD-UHFFFAOYSA-N 0 0 433.549 2.571 50 0 IFAARN COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)N2CCC(C)CC2)cc1OC ZINC000012591993 522729448 /nfs/dbraw/zinc/72/94/48/522729448.db2.gz FJNIIMGDSFIBKW-UHFFFAOYSA-N 0 0 430.457 2.964 50 0 IFAARN COCC(=O)N1CCN(c2nc3ccccc3c3nnc(-c4cccc(OC)c4)n32)C[C@H]1C ZINC000034706440 522746608 /nfs/dbraw/zinc/74/66/08/522746608.db2.gz LSRISJFCPGWXQG-MRXNPFEDSA-N 0 0 446.511 2.637 50 0 IFAARN COC[C@H]1CCCCN1C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000012149684 522821030 /nfs/dbraw/zinc/82/10/30/522821030.db2.gz USDNIOXSVMPXSC-ATIYNZHBSA-N 0 0 449.551 2.739 50 0 IFAARN COc1cc(OC)c(OC)cc1CNC(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC000012844530 522824325 /nfs/dbraw/zinc/82/43/25/522824325.db2.gz IEZZLPLERCTKCK-UHFFFAOYSA-N 0 0 431.470 2.873 50 0 IFAARN CN(CCNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccccc1 ZINC000012612461 522843852 /nfs/dbraw/zinc/84/38/52/522843852.db2.gz LVRZLEQQJKKANX-UHFFFAOYSA-N 0 0 437.512 2.618 50 0 IFAARN COCc1c2ccccc2oc1C(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000012781667 522903749 /nfs/dbraw/zinc/90/37/49/522903749.db2.gz RVROEVGNWNGOPY-UHFFFAOYSA-N 0 0 444.528 2.887 50 0 IFAARN CN(CCOc1ccccc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 ZINC000020449155 522916440 /nfs/dbraw/zinc/91/64/40/522916440.db2.gz VYQGONVCYLANDZ-NRFANRHFSA-N 0 0 433.574 2.757 50 0 IFAARN COCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000036058233 522928970 /nfs/dbraw/zinc/92/89/70/522928970.db2.gz GHLAGBGUVWDHPI-UHFFFAOYSA-N 0 0 428.558 2.988 50 0 IFAARN COc1cc2[nH]c3c(ncn(CC(=O)NCCc4ccc(Cl)cc4)c3=O)c2cc1OC ZINC000035423803 522988006 /nfs/dbraw/zinc/98/80/06/522988006.db2.gz VLSZNQNJBIGHSW-UHFFFAOYSA-N 0 0 440.887 2.907 50 0 IFAARN COc1cc2c(cc(C(=O)N[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)c(OC)c1 ZINC000020745756 522995436 /nfs/dbraw/zinc/99/54/36/522995436.db2.gz AMOKSUONWVETGK-LBPRGKRZSA-N 0 0 425.441 2.681 50 0 IFAARN COc1cc2cc(C(=O)Nc3ccc(OC)c(S(=O)(=O)N(C)C)c3)[nH]c2c(OC)c1 ZINC000012750894 523057053 /nfs/dbraw/zinc/05/70/53/523057053.db2.gz KKKDSRWDYBGDOD-UHFFFAOYSA-N 0 0 433.486 2.696 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@@H]4c2ccccc2F)n(C)c(=O)n(C)c3=O)cc1 ZINC000012427973 523078283 /nfs/dbraw/zinc/07/82/83/523078283.db2.gz BNBVEZIYPAEGRX-JOCHJYFZSA-N 0 0 435.455 2.973 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2OC)CC(=O)N(CCCOC)C1=O ZINC000012000662 523155507 /nfs/dbraw/zinc/15/55/07/523155507.db2.gz YEQYZZPRZUNBOR-HOYKHHGWSA-N 0 0 430.545 2.910 50 0 IFAARN COc1ccc(-c2nc(S[C@@H](CC(=O)NCCO)c3ccc(OC)cc3)n[nH]2)cc1 ZINC000012176643 523177067 /nfs/dbraw/zinc/17/70/67/523177067.db2.gz JLOLZLMBFLBQFM-SFHVURJKSA-N 0 0 428.514 2.821 50 0 IFAARN CCn1c(CCC(=O)NCCc2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012603759 523177618 /nfs/dbraw/zinc/17/76/18/523177618.db2.gz WNUPRMGMJNHUKY-UHFFFAOYSA-N 0 0 446.548 2.737 50 0 IFAARN CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)NCCc1ccc(F)cc1 ZINC000022133877 523188691 /nfs/dbraw/zinc/18/86/91/523188691.db2.gz DVUMRJZGXMSBKQ-UHFFFAOYSA-N 0 0 433.553 2.791 50 0 IFAARN CCn1c(COc2ccc3ccc(=O)oc3c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012629328 523199355 /nfs/dbraw/zinc/19/93/55/523199355.db2.gz VCWHVLZHBXNJBW-UHFFFAOYSA-N 0 0 427.482 2.992 50 0 IFAARN COc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3cccc(OC)c3)n2)cc1 ZINC000021537300 523226327 /nfs/dbraw/zinc/22/63/27/523226327.db2.gz ZBQNHCWTPZRRNX-UHFFFAOYSA-N 0 0 437.481 2.833 50 0 IFAARN CCn1c(SCc2cc3c(cc2Br)OCO3)nnc1-c1nonc1N ZINC000012413693 523240577 /nfs/dbraw/zinc/24/05/77/523240577.db2.gz QCIGPMQAVRAPFJ-UHFFFAOYSA-N 0 0 425.268 2.714 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)n2N)c(OC)c1 ZINC000021576868 523260187 /nfs/dbraw/zinc/26/01/87/523260187.db2.gz VTJDNYIOMXURKH-UHFFFAOYSA-N 0 0 425.514 2.896 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCC(CC(=O)N4CCC(C)CC4)CC3)cc2oc1=O ZINC000035460857 523266975 /nfs/dbraw/zinc/26/69/75/523266975.db2.gz KCCYWCGJRXWHJC-UHFFFAOYSA-N 0 0 449.573 2.664 50 0 IFAARN COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NC[C@H]5CCCO5)CC4)c32)cc1 ZINC000033084877 523304312 /nfs/dbraw/zinc/30/43/12/523304312.db2.gz WFGZJISKWTVNCN-GOSISDBHSA-N 0 0 437.500 2.805 50 0 IFAARN COc1ccc(-c2nonc2NC(=O)c2nn(-c3ccc(C)cc3)ccc2=O)cc1OC ZINC000011917035 523307622 /nfs/dbraw/zinc/30/76/22/523307622.db2.gz JSFXLHXNVNMTEZ-UHFFFAOYSA-N 0 0 433.424 2.860 50 0 IFAARN COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccc(Cl)cc1 ZINC000023038095 523330889 /nfs/dbraw/zinc/33/08/89/523330889.db2.gz ZICVKOCZJFFBBI-UYTHQXMGSA-N 0 0 435.908 2.561 50 0 IFAARN COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1ccc(OC)c(OC)c1 ZINC000022190567 523333365 /nfs/dbraw/zinc/33/33/65/523333365.db2.gz PIYWBVMHPRGSTJ-MJGOQNOKSA-N 0 0 440.496 2.786 50 0 IFAARN COC(=O)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000012777094 523334335 /nfs/dbraw/zinc/33/43/35/523334335.db2.gz MIFUVYKBWHLCEO-XLIONFOSSA-N 0 0 448.516 2.647 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036060059 523352630 /nfs/dbraw/zinc/35/26/30/523352630.db2.gz VUDOGDPFYJUUCU-NHCUHLMSSA-N 0 0 444.503 2.851 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1ccc(OC)cc1OC ZINC000036060112 523361001 /nfs/dbraw/zinc/36/10/01/523361001.db2.gz POZAYHLSMVIWTJ-PMACEKPBSA-N 0 0 444.503 2.851 50 0 IFAARN CCn1cc(CN2CCN(C(=O)c3cc4c(s3)n(C)nc4C(F)(F)F)CC2)cn1 ZINC000020607250 523373021 /nfs/dbraw/zinc/37/30/21/523373021.db2.gz UFRMKTRYGAGDNV-UHFFFAOYSA-N 0 0 426.468 2.828 50 0 IFAARN COc1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1OC ZINC000012915327 523386206 /nfs/dbraw/zinc/38/62/06/523386206.db2.gz GMFDMLDGIFEHKQ-VQHVLOKHSA-N 0 0 427.476 2.639 50 0 IFAARN COc1ccc(Br)c(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 ZINC000023011324 523480712 /nfs/dbraw/zinc/48/07/12/523480712.db2.gz PTNMVROLTYZGIS-UHFFFAOYSA-N 0 0 448.317 2.981 50 0 IFAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCc4cccnc4)CC3)ccc21 ZINC000021053711 523494007 /nfs/dbraw/zinc/49/40/07/523494007.db2.gz SMXKKUCZSRGGHD-UHFFFAOYSA-N 0 0 426.542 2.773 50 0 IFAARN COC(=O)[C@@H](NC(=O)CCc1nnc2ccc(NCc3ccccc3Cl)nn21)C(C)C ZINC000015776259 523607001 /nfs/dbraw/zinc/60/70/01/523607001.db2.gz WVFSRCLVTAOEEM-FQEVSTJZSA-N 0 0 444.923 2.636 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1)C(=O)COC ZINC000035946535 523655155 /nfs/dbraw/zinc/65/51/55/523655155.db2.gz MLJXDFXYUMGEMM-IBGZPJMESA-N 0 0 429.542 2.856 50 0 IFAARN CCc1[nH]c(C(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c(C)c1C(=O)OC ZINC000012533356 523661634 /nfs/dbraw/zinc/66/16/34/523661634.db2.gz JQAUEBUWVYFQBK-MRXNPFEDSA-N 0 0 427.501 2.566 50 0 IFAARN CCn1nc(C)cc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012587182 523674185 /nfs/dbraw/zinc/67/41/85/523674185.db2.gz KTQQMTMMNHNRAD-FQEVSTJZSA-N 0 0 438.576 2.588 50 0 IFAARN COc1ccc(C(=O)N=S2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000012367198 523680046 /nfs/dbraw/zinc/68/00/46/523680046.db2.gz AGXJSJVXMPLABF-UHFFFAOYSA-N 0 0 426.947 2.995 50 0 IFAARN COCCN(CCC(=O)NCc1ccco1)C(=O)c1cc(-c2ccccc2OC)on1 ZINC000036001467 523690453 /nfs/dbraw/zinc/69/04/53/523690453.db2.gz UPPCVQUXPMOGCF-UHFFFAOYSA-N 0 0 427.457 2.738 50 0 IFAARN CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2ccc(OC)cc2OC)c1=O ZINC000017317008 523710658 /nfs/dbraw/zinc/71/06/58/523710658.db2.gz HWXMRKPOMTYMSN-UHFFFAOYSA-N 0 0 425.489 2.573 50 0 IFAARN CN1C(=O)c2cc(C(=O)NC3CCCCC3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021875494 523728051 /nfs/dbraw/zinc/72/80/51/523728051.db2.gz GLMFWXIGRCXGMR-QHCPKHFHSA-N 0 0 429.565 2.629 50 0 IFAARN CN1C(=O)c2cc(C(=O)Nc3ccc(F)cc3F)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021874678 523731760 /nfs/dbraw/zinc/73/17/60/523731760.db2.gz OXPPSMYOPDPWGU-JOCHJYFZSA-N 0 0 445.470 2.707 50 0 IFAARN COc1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1S(=O)(=O)NC1CC1 ZINC000012867908 523754786 /nfs/dbraw/zinc/75/47/86/523754786.db2.gz RJYBRKBTUGPRDI-UHFFFAOYSA-N 0 0 426.397 2.710 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)s2)cc1 ZINC000020486292 523764541 /nfs/dbraw/zinc/76/45/41/523764541.db2.gz JMFLXWPSDYCXQR-LBPRGKRZSA-N 0 0 430.511 2.939 50 0 IFAARN COc1ccc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1S(=O)(=O)NC1CC1 ZINC000012901266 523772052 /nfs/dbraw/zinc/77/20/52/523772052.db2.gz ZBIMUKNPSNNXNU-UHFFFAOYSA-N 0 0 443.477 2.908 50 0 IFAARN CC[C@H](C(=O)NCCCN1CCCC1=O)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020467050 523774139 /nfs/dbraw/zinc/77/41/39/523774139.db2.gz OWELCCKXLTZRIG-MRXNPFEDSA-N 0 0 426.542 2.999 50 0 IFAARN COCCN1C(=O)C[C@](CC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)(c2ccccc2F)C1=O ZINC000012157582 523800318 /nfs/dbraw/zinc/80/03/18/523800318.db2.gz BYBGLILTQUSZHR-MTCJWGGJSA-N 0 0 442.531 2.896 50 0 IFAARN COCCN1C(=O)c2c(NC(C)=O)c3cc(F)ccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021866358 523807535 /nfs/dbraw/zinc/80/75/35/523807535.db2.gz ZVQJFIRYJROUKM-HSZRJFAPSA-N 0 0 444.507 2.659 50 0 IFAARN COCCN1C(=O)c2cc(-c3ccc(OC)cc3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021855061 523808871 /nfs/dbraw/zinc/80/88/71/523808871.db2.gz DLCWVOGZSSLVRV-RUZDIDTESA-N 0 0 448.523 2.736 50 0 IFAARN COCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000033332123 523809280 /nfs/dbraw/zinc/80/92/80/523809280.db2.gz VVGWRMFVFIWUQY-QHCPKHFHSA-N 0 0 429.517 2.578 50 0 IFAARN COCCN1C(=O)c2cc(-c3ccc(OC)cc3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021855055 523809690 /nfs/dbraw/zinc/80/96/90/523809690.db2.gz DLCWVOGZSSLVRV-VWLOTQADSA-N 0 0 448.523 2.736 50 0 IFAARN COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccccc3Cl)c(=O)n12 ZINC000012371936 523813054 /nfs/dbraw/zinc/81/30/54/523813054.db2.gz UZOQQYAEEPJMRW-PTLRMSDHSA-N 0 0 440.908 2.512 50 0 IFAARN COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000021881093 523823090 /nfs/dbraw/zinc/82/30/90/523823090.db2.gz MJRLCKOAOHXLCO-UHFFFAOYSA-N 0 0 431.514 2.538 50 0 IFAARN CN(C(=O)COC(=O)CNC(=O)c1ccco1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000021735383 523830592 /nfs/dbraw/zinc/83/05/92/523830592.db2.gz PPCZMTZZKYTAIV-JOCHJYFZSA-N 0 0 446.887 2.703 50 0 IFAARN CN(C(=O)CSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[nH]n21)c1ccccc1 ZINC000021537348 523840620 /nfs/dbraw/zinc/84/06/20/523840620.db2.gz KVQNIHJCQPTFMC-UHFFFAOYSA-N 0 0 435.465 2.568 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4OC)nc(C)n3n2)cc1 ZINC000015672111 523856175 /nfs/dbraw/zinc/85/61/75/523856175.db2.gz FOBJIJRIPOLFFS-UHFFFAOYSA-N 0 0 431.496 2.754 50 0 IFAARN CCc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000012768768 523862742 /nfs/dbraw/zinc/86/27/42/523862742.db2.gz NCSHSSUCFPLMTK-CQSZACIVSA-N 0 0 428.514 2.756 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCN(C(=O)C4CC4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000012800874 523874796 /nfs/dbraw/zinc/87/47/96/523874796.db2.gz VYWGHJFEPQIEIR-OAQYLSRUSA-N 0 0 436.512 2.520 50 0 IFAARN COc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)NC2=O)cc1 ZINC000035432701 523875074 /nfs/dbraw/zinc/87/50/74/523875074.db2.gz CBTNVVRJADDZPD-UHFFFAOYSA-N 0 0 447.944 2.757 50 0 IFAARN CC[C@H](C)CN1C(=O)[C@@H](C)NC12CCN(S(=O)(=O)c1cccc3cccnc31)CC2 ZINC000036027221 523879002 /nfs/dbraw/zinc/87/90/02/523879002.db2.gz STBPXBFDRJURCT-DLBZAZTESA-N 0 0 430.574 2.582 50 0 IFAARN COCCNC(=O)CCc1c(C)n(Cc2ccccc2)c2nc(-c3ccccc3)nn2c1=O ZINC000021807356 523891110 /nfs/dbraw/zinc/89/11/10/523891110.db2.gz XDAUPCOUJVHPPC-UHFFFAOYSA-N 0 0 445.523 2.610 50 0 IFAARN CCc1ccc(C(=O)c2cn(CC(=O)NC[C@H]3CCCO3)c3nc(C)ccc3c2=O)cc1 ZINC000015728897 523898480 /nfs/dbraw/zinc/89/84/80/523898480.db2.gz WAELHYWHLNVZPG-LJQANCHMSA-N 0 0 433.508 2.794 50 0 IFAARN COc1ccc(CCC(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)cc1 ZINC000012278868 523917449 /nfs/dbraw/zinc/91/74/49/523917449.db2.gz HHKUXFLUYLKFNE-LJQANCHMSA-N 0 0 427.549 2.829 50 0 IFAARN COCCNC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1c1cccc(OC)c1OC ZINC000036054265 523920232 /nfs/dbraw/zinc/92/02/32/523920232.db2.gz WTBGMDUPDQOUPA-OALUTQOASA-N 0 0 446.931 2.976 50 0 IFAARN COCCNC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036059774 523920842 /nfs/dbraw/zinc/92/08/42/523920842.db2.gz ILJKTVCLLOIUPF-UXHICEINSA-N 0 0 446.931 2.976 50 0 IFAARN COCCNC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1c1cccc(OC)c1OC ZINC000036054263 523920935 /nfs/dbraw/zinc/92/09/35/523920935.db2.gz WTBGMDUPDQOUPA-MOPGFXCFSA-N 0 0 446.931 2.976 50 0 IFAARN COCCNC(=O)[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000036054244 523920996 /nfs/dbraw/zinc/92/09/96/523920996.db2.gz UDHBXDRREIDSCH-UXHICEINSA-N 0 0 426.513 2.631 50 0 IFAARN COCCNC(=O)[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1c1ccc(OC)cc1OC ZINC000036059764 523920997 /nfs/dbraw/zinc/92/09/97/523920997.db2.gz GTXVYNHPMISGAS-SFTDATJTSA-N 0 0 426.513 2.631 50 0 IFAARN CCc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)cc1 ZINC000033262339 523938056 /nfs/dbraw/zinc/93/80/56/523938056.db2.gz CIAFYLVYFCMJIT-GOSISDBHSA-N 0 0 442.541 2.949 50 0 IFAARN CCc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)cc1 ZINC000033262340 523938358 /nfs/dbraw/zinc/93/83/58/523938358.db2.gz CIAFYLVYFCMJIT-SFHVURJKSA-N 0 0 442.541 2.949 50 0 IFAARN COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc4oc(=O)ccc4c3)CC2=O)cc1OC ZINC000020718984 523950256 /nfs/dbraw/zinc/95/02/56/523950256.db2.gz DBPSOTPWDVZAHJ-KRWDZBQOSA-N 0 0 436.464 2.840 50 0 IFAARN COc1ccc(CCNC(=O)CCCn2nc(C)n3c4ccoc4cc3c2=O)c(OC)c1 ZINC000020866599 523956144 /nfs/dbraw/zinc/95/61/44/523956144.db2.gz SUVTZGFFSMHDLL-UHFFFAOYSA-N 0 0 438.484 2.707 50 0 IFAARN CC[C@H](C)NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033024495 523963593 /nfs/dbraw/zinc/96/35/93/523963593.db2.gz ZPMSMZDLZNEHKE-AWEZNQCLSA-N 0 0 429.546 2.866 50 0 IFAARN COc1ccc(CCNC(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)cc1OC ZINC000009661334 523971531 /nfs/dbraw/zinc/97/15/31/523971531.db2.gz ZIXSEZNALJTFKD-UHFFFAOYSA-N 0 0 432.480 2.666 50 0 IFAARN CC[C@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000239653998 523974943 /nfs/dbraw/zinc/97/49/43/523974943.db2.gz BMCAAMLCQWKRLN-JKSUJKDBSA-N 0 0 430.526 2.898 50 0 IFAARN CCc1ccc(NC(=O)Cn2c3cn(CC)nc3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000021713708 523977293 /nfs/dbraw/zinc/97/72/93/523977293.db2.gz BMHNREVBVPJETE-UHFFFAOYSA-N 0 0 431.496 2.629 50 0 IFAARN COc1ccc(CCc2nnc(CCC(=O)NCCc3cn4ccsc4n3)o2)cc1 ZINC000012316518 523984874 /nfs/dbraw/zinc/98/48/74/523984874.db2.gz KNBBZOJPGGLZJI-UHFFFAOYSA-N 0 0 425.514 2.864 50 0 IFAARN CN(C)C(=O)CN1CCN(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)CC1 ZINC000032543198 523987701 /nfs/dbraw/zinc/98/77/01/523987701.db2.gz FFMYSHBCPYTUHG-UHFFFAOYSA-N 0 0 445.976 2.511 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000012897552 524020320 /nfs/dbraw/zinc/02/03/20/524020320.db2.gz LIZJLMHXOZUDLM-NRFANRHFSA-N 0 0 434.496 2.736 50 0 IFAARN CCc1ccc([C@@H](C)NC(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000022929608 524022215 /nfs/dbraw/zinc/02/22/15/524022215.db2.gz WQKWQQRBVBUYLY-QHAWAJNXSA-N 0 0 428.621 2.548 50 0 IFAARN CCc1ccc([C@@H](C)NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1 ZINC000032946543 524022435 /nfs/dbraw/zinc/02/24/35/524022435.db2.gz KNAMSPLUEFLJRM-CYBMUJFWSA-N 0 0 432.571 2.753 50 0 IFAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccco2)CC1 ZINC000035941496 524023996 /nfs/dbraw/zinc/02/39/96/524023996.db2.gz IMUAGJOFSPYVBQ-OAHLLOKOSA-N 0 0 438.484 2.641 50 0 IFAARN COc1ccc(CN2CCCN(CC(=O)Nc3ccc(F)c(Cl)c3)S2(=O)=O)cc1 ZINC000021629434 524026305 /nfs/dbraw/zinc/02/63/05/524026305.db2.gz KGRJDQXUYHFMHR-UHFFFAOYSA-N 0 0 441.912 2.879 50 0 IFAARN CN1c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2C(C)(C)C1=O ZINC000020488077 524032456 /nfs/dbraw/zinc/03/24/56/524032456.db2.gz JHRYQCPNOPECEU-UHFFFAOYSA-N 0 0 447.601 2.790 50 0 IFAARN COc1ccc(CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@@H]23)cc1 ZINC000012637859 524043847 /nfs/dbraw/zinc/04/38/47/524043847.db2.gz TZFCXDIMQUVMAB-JOCHJYFZSA-N 0 0 429.542 2.663 50 0 IFAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCc3cnccn3)C2)c(OC)c1 ZINC000012430392 524047420 /nfs/dbraw/zinc/04/74/20/524047420.db2.gz ALXIHBMICSLFQT-SFHVURJKSA-N 0 0 440.544 2.762 50 0 IFAARN COc1ccc(CNC(=O)CCn2cnc3c4cc(OC)c(OC)cc4[nH]c3c2=O)cc1 ZINC000035424071 524048846 /nfs/dbraw/zinc/04/88/46/524048846.db2.gz TXNLHDVMVAFEFQ-UHFFFAOYSA-N 0 0 436.468 2.610 50 0 IFAARN COc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)c(OC)c1 ZINC000012481017 524053911 /nfs/dbraw/zinc/05/39/11/524053911.db2.gz OQLBXCNDNWQUDD-HSZRJFAPSA-N 0 0 447.535 2.864 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 ZINC000012691778 524063889 /nfs/dbraw/zinc/06/38/89/524063889.db2.gz ZLMNOZSBTRANAG-XOBRGWDASA-N 0 0 448.466 2.976 50 0 IFAARN COc1ccc(CNC(=O)c2cc(-c3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000012229943 524065627 /nfs/dbraw/zinc/06/56/27/524065627.db2.gz WKUZFLOMYMRPCI-SFHVURJKSA-N 0 0 425.510 2.848 50 0 IFAARN CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012821530 524078107 /nfs/dbraw/zinc/07/81/07/524078107.db2.gz BCSGSGFHUYTDFL-OAQYLSRUSA-N 0 0 437.496 2.549 50 0 IFAARN COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN2CCOCC2)c1 ZINC000022610873 524136436 /nfs/dbraw/zinc/13/64/36/524136436.db2.gz MNRXAKLMGCQRCM-JOCHJYFZSA-N 0 0 434.492 2.987 50 0 IFAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000022808288 524156952 /nfs/dbraw/zinc/15/69/52/524156952.db2.gz WJONOXFQDAXGLI-GGAORHGYSA-N 0 0 441.597 2.788 50 0 IFAARN Cc1cccc(C(=O)NCCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c1 ZINC000012916765 524190200 /nfs/dbraw/zinc/19/02/00/524190200.db2.gz SJBOOMOSKVWBHR-IBGZPJMESA-N 0 0 448.523 2.559 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)c1 ZINC000012802143 524190923 /nfs/dbraw/zinc/19/09/23/524190923.db2.gz NMGPJBIDISNBJM-QFIPXVFZSA-N 0 0 445.560 2.769 50 0 IFAARN Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c1 ZINC000012633809 524204313 /nfs/dbraw/zinc/20/43/13/524204313.db2.gz ZNNXEAFHERWXQF-GOSISDBHSA-N 0 0 445.585 2.881 50 0 IFAARN COc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C/N[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000020518891 524217187 /nfs/dbraw/zinc/21/71/87/524217187.db2.gz ZEOGUKMKGRHJSY-RQNDZEIBSA-N 0 0 446.912 2.653 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O ZINC000012371148 524230266 /nfs/dbraw/zinc/23/02/66/524230266.db2.gz QVRVQBSGVGUUKF-UHFFFAOYSA-N 0 0 436.855 2.848 50 0 IFAARN C[C@@H](C(=O)Nc1cc(F)ccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000012866841 524246545 /nfs/dbraw/zinc/24/65/45/524246545.db2.gz LAZIENUAHAUXGN-KGLIPLIRSA-N 0 0 430.455 2.988 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035400190 524254828 /nfs/dbraw/zinc/25/48/28/524254828.db2.gz MXGCXHDQPCOGSY-LBPRGKRZSA-N 0 0 431.942 2.874 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012911904 524255428 /nfs/dbraw/zinc/25/54/28/524255428.db2.gz YBMQRHVEEHPWMK-KBPBESRZSA-N 0 0 430.455 2.988 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012887113 524256057 /nfs/dbraw/zinc/25/60/57/524256057.db2.gz PKUDSXYJZQIYDI-HNNXBMFYSA-N 0 0 449.523 2.787 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000012732442 524260311 /nfs/dbraw/zinc/26/03/11/524260311.db2.gz HJEVSRMHKGBRKQ-AWEZNQCLSA-N 0 0 427.517 2.899 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)n1c(=O)oc2ccccc21 ZINC000021970021 524271799 /nfs/dbraw/zinc/27/17/99/524271799.db2.gz KOEYSDUUGSCKKP-AWEZNQCLSA-N 0 0 441.465 2.866 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccc(F)cc3)c2=O)c(C)c1 ZINC000021713911 524292540 /nfs/dbraw/zinc/29/25/40/524292540.db2.gz JKCYDKHZWNBTDB-UHFFFAOYSA-N 0 0 449.486 2.648 50 0 IFAARN COc1ccccc1-n1c(C)cn2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C ZINC000009243465 524299542 /nfs/dbraw/zinc/29/95/42/524299542.db2.gz IJPKESIYGUJFJN-UHFFFAOYSA-N 0 0 433.443 2.643 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc43)CC2)c(C)c1 ZINC000016097260 524318527 /nfs/dbraw/zinc/31/85/27/524318527.db2.gz QVRCLRQSDUVUOG-UHFFFAOYSA-N 0 0 439.537 2.600 50 0 IFAARN Cc1ccc(CCNS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)cc1 ZINC000020935737 524336158 /nfs/dbraw/zinc/33/61/58/524336158.db2.gz SHRYOWFAJSNLOF-UHFFFAOYSA-N 0 0 441.534 2.769 50 0 IFAARN COc1ccccc1C(=O)N/C(=C\c1ccc(Br)cc1)C(=O)NCCCO ZINC000012437025 524339289 /nfs/dbraw/zinc/33/92/89/524339289.db2.gz GIGOTERDVGGELR-LGMDPLHJSA-N 0 0 433.302 2.727 50 0 IFAARN COc1ccc(N(Cc2nc3ccccc3[nH]2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000021167160 524370128 /nfs/dbraw/zinc/37/01/28/524370128.db2.gz VTUZHWKMULDNOM-ZWKOTPCHSA-N 0 0 428.539 2.847 50 0 IFAARN COc1ccc(N2C(=O)C[C@@H](N3CCN(CCOc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000022807706 524390467 /nfs/dbraw/zinc/39/04/67/524390467.db2.gz VHWQGKKLXYUOPJ-OAQYLSRUSA-N 0 0 443.931 2.677 50 0 IFAARN Cc1cccc(CN2CCCN(CC(=O)N[C@H](C)CCc3ccccc3)S2(=O)=O)c1 ZINC000020996648 524394479 /nfs/dbraw/zinc/39/44/79/524394479.db2.gz LINFJPNPQYRZQG-HXUWFJFHSA-N 0 0 429.586 2.885 50 0 IFAARN COc1ccccc1CCNc1ncnc2sc(C(=O)NC[C@@H]3COCCO3)c(C)c21 ZINC000012098821 524423713 /nfs/dbraw/zinc/42/37/13/524423713.db2.gz MJFZNOYWBFBPAI-MRXNPFEDSA-N 0 0 442.541 2.808 50 0 IFAARN C[C@H]1CCc2sc(C(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cc2C1 ZINC000012781385 524444370 /nfs/dbraw/zinc/44/43/70/524444370.db2.gz KAUJWLUFOYNNAC-HNAYVOBHSA-N 0 0 426.538 2.997 50 0 IFAARN COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 ZINC000012342363 524458303 /nfs/dbraw/zinc/45/83/03/524458303.db2.gz KEWBKQOMZQHJBY-NRFANRHFSA-N 0 0 433.508 2.820 50 0 IFAARN COc1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1OC ZINC000033062919 524486896 /nfs/dbraw/zinc/48/68/96/524486896.db2.gz GXCUJILDEQXFQV-UHFFFAOYSA-N 0 0 449.460 2.771 50 0 IFAARN COc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1OC ZINC000012555300 524494370 /nfs/dbraw/zinc/49/43/70/524494370.db2.gz NJTLBLNBPSMWSR-QFIPXVFZSA-N 0 0 439.512 2.922 50 0 IFAARN Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N(C)c2ccc3c(c2)OCCO3)n1 ZINC000023126944 524500811 /nfs/dbraw/zinc/50/08/11/524500811.db2.gz OUUGIZQHRRESJA-UHFFFAOYSA-N 0 0 433.511 2.846 50 0 IFAARN Cc1cc(C)n(CC(=O)NCc2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)n1 ZINC000012160748 524508896 /nfs/dbraw/zinc/50/88/96/524508896.db2.gz AMSGVMHTWHWCIP-IBGZPJMESA-N 0 0 440.573 2.727 50 0 IFAARN Cc1ccc(CNC(=O)N2CCN(Cc3nc4cc(C(=O)N(C)C)ccc4n3C)CC2)cc1 ZINC000033275764 524521529 /nfs/dbraw/zinc/52/15/29/524521529.db2.gz UGPSBJCJOMETKW-UHFFFAOYSA-N 0 0 448.571 2.611 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(OCc3ccc(F)cc3)c(=O)cc2CO)c(OC)c1 ZINC000012231084 524531407 /nfs/dbraw/zinc/53/14/07/524531407.db2.gz WWEGTWSKNPQBEO-UHFFFAOYSA-N 0 0 442.443 2.715 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)C[C@H]2C)c1 ZINC000020984804 524558889 /nfs/dbraw/zinc/55/88/89/524558889.db2.gz TVECCYPYQCODIG-OAHLLOKOSA-N 0 0 430.555 2.706 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)CC2)c1C ZINC000021531489 524558963 /nfs/dbraw/zinc/55/89/63/524558963.db2.gz NQLMJVIKAWWAFK-UHFFFAOYSA-N 0 0 430.555 2.626 50 0 IFAARN COc1ccccc1NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000020902096 524582988 /nfs/dbraw/zinc/58/29/88/524582988.db2.gz HYMVMRCQLXNKDS-JOCHJYFZSA-N 0 0 430.508 2.945 50 0 IFAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)c1 ZINC000021108639 524583355 /nfs/dbraw/zinc/58/33/55/524583355.db2.gz NJGIYMQNCLAYAO-UHFFFAOYSA-N 0 0 443.525 2.674 50 0 IFAARN COc1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012734323 524583846 /nfs/dbraw/zinc/58/38/46/524583846.db2.gz IUQWDPCQRICSJX-QGZVFWFLSA-N 0 0 443.569 2.517 50 0 IFAARN Cc1ccc(CNS(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)cc1 ZINC000020935812 524588765 /nfs/dbraw/zinc/58/87/65/524588765.db2.gz DESKXXMTMDWUII-UHFFFAOYSA-N 0 0 439.468 2.804 50 0 IFAARN COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C(C)C)cc1 ZINC000021535692 524589046 /nfs/dbraw/zinc/58/90/46/524589046.db2.gz ASEFNTGWDCPVAV-NRFANRHFSA-N 0 0 445.541 2.912 50 0 IFAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)ccc3O)C2=O)c1 ZINC000009310867 524589268 /nfs/dbraw/zinc/58/92/68/524589268.db2.gz QFEIJTQVWRBTQG-OQLLNIDSSA-N 0 0 430.258 2.995 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000012661763 524592408 /nfs/dbraw/zinc/59/24/08/524592408.db2.gz MMJWYJANUZFJAW-YCRPNKLZSA-N 0 0 426.425 2.511 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CS[C@@H]3c4ccc(OC)c(OC)c4C(=O)N23)cc1OC ZINC000012870614 524599348 /nfs/dbraw/zinc/59/93/48/524599348.db2.gz XEMCJRUBPOTAAK-YEJXKQKISA-N 0 0 430.482 2.930 50 0 IFAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000012694443 524625395 /nfs/dbraw/zinc/62/53/95/524625395.db2.gz YAASJXNTQJOKMF-QZTJIDSGSA-N 0 0 433.464 2.837 50 0 IFAARN C[C@@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccccc1 ZINC000012602364 524650821 /nfs/dbraw/zinc/65/08/21/524650821.db2.gz FIFWPKFEPIFJCO-INIZCTEOSA-N 0 0 428.558 2.676 50 0 IFAARN C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1 ZINC000021881073 524651460 /nfs/dbraw/zinc/65/14/60/524651460.db2.gz ADOHMJRJSUVVQB-INIZCTEOSA-N 0 0 429.542 2.502 50 0 IFAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)CCc2ccc(-c3ccccc3F)o2)C[C@H](C)O1 ZINC000040089329 524654471 /nfs/dbraw/zinc/65/44/71/524654471.db2.gz FQJFHCLXHLFVGR-HOTGVXAUSA-N 0 0 438.521 2.574 50 0 IFAARN COc1ccccc1OCCNC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1 ZINC000012760425 524672799 /nfs/dbraw/zinc/67/27/99/524672799.db2.gz HPDIEGZQYOEFJB-UHFFFAOYSA-N 0 0 447.538 2.542 50 0 IFAARN COc1ccccc1OCCNC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O ZINC000012899166 524673491 /nfs/dbraw/zinc/67/34/91/524673491.db2.gz YFTCNDZQGQPLQE-UHFFFAOYSA-N 0 0 427.453 2.865 50 0 IFAARN COc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1S(=O)(=O)N(C)C ZINC000016048519 524695052 /nfs/dbraw/zinc/69/50/52/524695052.db2.gz OYFYSBROERXVHM-UHFFFAOYSA-N 0 0 449.348 2.509 50 0 IFAARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CNC(=O)c3cccs3)c2)cc1 ZINC000012532570 524698591 /nfs/dbraw/zinc/69/85/91/524698591.db2.gz SJGDBNISSJMPMU-UHFFFAOYSA-N 0 0 445.522 2.926 50 0 IFAARN Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1C ZINC000012769498 524714424 /nfs/dbraw/zinc/71/44/24/524714424.db2.gz GWKOSAVJRLXUNG-UHFFFAOYSA-N 0 0 442.459 2.633 50 0 IFAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)c(Cl)c2)C1=O ZINC000012006080 524750327 /nfs/dbraw/zinc/75/03/27/524750327.db2.gz KZVOHINKRKNKNE-NSHDSACASA-N 0 0 436.873 2.676 50 0 IFAARN C[C@@H]1CN(C(=O)Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)C[C@@H](C)O1 ZINC000022767987 524803453 /nfs/dbraw/zinc/80/34/53/524803453.db2.gz VKKSFYXICDLINX-ZIAGYGMSSA-N 0 0 441.919 2.749 50 0 IFAARN COc1ccc(OC)c(C(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 ZINC000023701310 524803912 /nfs/dbraw/zinc/80/39/12/524803912.db2.gz UDMICNYHFWZHQZ-QKFKETGDSA-N 0 0 446.500 2.567 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2cc(OCc3ccc(C)cc3)c(=O)cc2CO)c1 ZINC000012231194 524855458 /nfs/dbraw/zinc/85/54/58/524855458.db2.gz YXTOTVNGQFTUDC-UHFFFAOYSA-N 0 0 438.480 2.884 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c1 ZINC000012237782 524855615 /nfs/dbraw/zinc/85/56/15/524855615.db2.gz IFXOYGDPDGLPCP-UHFFFAOYSA-N 0 0 433.468 2.855 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)c1 ZINC000015729978 524876223 /nfs/dbraw/zinc/87/62/23/524876223.db2.gz CVZNLAWFIQHHBD-UHFFFAOYSA-N 0 0 440.525 2.672 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1 ZINC000252444122 524892962 /nfs/dbraw/zinc/89/29/62/524892962.db2.gz XSKPBNDTIWOPCR-TWWFPWMWSA-N 0 0 429.517 2.868 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000012819513 524895888 /nfs/dbraw/zinc/89/58/88/524895888.db2.gz ABWDCOFQLUMWFU-IBGZPJMESA-N 0 0 443.569 2.887 50 0 IFAARN COc1ccc(OC)c([C@H]2CCN(S(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)C2)c1 ZINC000021535985 524914013 /nfs/dbraw/zinc/91/40/13/524914013.db2.gz AHJQCHHUSBMZOZ-ZDUSSCGKSA-N 0 0 447.538 2.694 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2CC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000012819528 524914148 /nfs/dbraw/zinc/91/41/48/524914148.db2.gz ABWDCOFQLUMWFU-LJQANCHMSA-N 0 0 443.569 2.887 50 0 IFAARN COc1ccc(OC)c2c1s/c(=N/C(=O)CCS(=O)(=O)c1ccc(F)cc1)n2C ZINC000012237966 524923880 /nfs/dbraw/zinc/92/38/80/524923880.db2.gz CHMWPNLOCKTCOR-XUTLUUPISA-N 0 0 438.502 2.687 50 0 IFAARN COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)C[C@@H](O)c2ccccc2)c1 ZINC000012372765 524926312 /nfs/dbraw/zinc/92/63/12/524926312.db2.gz IFJLVYCSDJMJGL-JOCHJYFZSA-N 0 0 426.513 2.891 50 0 IFAARN COc1ccc(OC[C@@H](O)CN(Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012389526 524968645 /nfs/dbraw/zinc/96/86/45/524968645.db2.gz YWOCTZSRUMJIJE-MSOLQXFVSA-N 0 0 439.961 2.778 50 0 IFAARN Cc1cc(F)ccc1NC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(C)C2=O ZINC000021874972 524997238 /nfs/dbraw/zinc/99/72/38/524997238.db2.gz NHPPVSNZOLDNBO-HSZRJFAPSA-N 0 0 441.507 2.876 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000035531304 525019426 /nfs/dbraw/zinc/01/94/26/525019426.db2.gz DLUILNKPRAYKEQ-UHFFFAOYSA-N 0 0 446.525 2.531 50 0 IFAARN Cc1ccccc1-n1ncc2c1c(=O)n(CC(=O)Nc1ccc(C(N)=O)cc1)nc2C1CC1 ZINC000022768123 525032799 /nfs/dbraw/zinc/03/27/99/525032799.db2.gz VXTLDEIEVXGQHT-UHFFFAOYSA-N 0 0 442.479 2.506 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000023224475 525041949 /nfs/dbraw/zinc/04/19/49/525041949.db2.gz RZJLCATWPWVLQH-UHFFFAOYSA-N 0 0 444.553 2.776 50 0 IFAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCCC3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000036049210 525043997 /nfs/dbraw/zinc/04/39/97/525043997.db2.gz JDQBELHAACIHED-NHCUHLMSSA-N 0 0 432.517 2.861 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c(C)c1 ZINC000020761896 525046940 /nfs/dbraw/zinc/04/69/40/525046940.db2.gz GEMDOAALIRALGO-UHFFFAOYSA-N 0 0 437.905 2.547 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc2)C[C@H](C)O1 ZINC000012675914 525052726 /nfs/dbraw/zinc/05/27/26/525052726.db2.gz XZQCKNNXMIDCHX-CALCHBBNSA-N 0 0 440.525 2.923 50 0 IFAARN Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1Cl ZINC000012536958 525058756 /nfs/dbraw/zinc/05/87/56/525058756.db2.gz KDFFFCXJQGUGSI-FQEVSTJZSA-N 0 0 429.904 2.713 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2)cc1 ZINC000012406825 525066875 /nfs/dbraw/zinc/06/68/75/525066875.db2.gz HIABLRDSDJBSOA-JOCHJYFZSA-N 0 0 440.521 2.637 50 0 IFAARN Cc1ccccc1CN1CCN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000017135893 525143539 /nfs/dbraw/zinc/14/35/39/525143539.db2.gz PCIMCMPQYYWNLR-UHFFFAOYSA-N 0 0 441.535 2.942 50 0 IFAARN CS(=O)(=O)N1CCC(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CC1 ZINC000029825522 525162336 /nfs/dbraw/zinc/16/23/36/525162336.db2.gz HJKRWECIDPDOSS-OAQYLSRUSA-N 0 0 426.542 2.534 50 0 IFAARN Cc1cc(NC(=O)Cc2cccs2)n(-c2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)n1 ZINC000012444336 525165298 /nfs/dbraw/zinc/16/52/98/525165298.db2.gz IDXMYTVLIWTYHP-UHFFFAOYSA-N 0 0 449.471 2.985 50 0 IFAARN COc1ccc([C@@H](CC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)NC(C)=O)cc1 ZINC000012817213 525169573 /nfs/dbraw/zinc/16/95/73/525169573.db2.gz GNPLXZVMKYGCMI-OAQYLSRUSA-N 0 0 439.512 2.845 50 0 IFAARN COc1ccc([C@@H](CC(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)NC(C)=O)cc1 ZINC000022305126 525171964 /nfs/dbraw/zinc/17/19/64/525171964.db2.gz IXGMUYSZOBZELX-QEEYODRMSA-N 0 0 446.573 2.967 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3cc(=O)c4ccccc4o3)ccc21 ZINC000021172514 525173376 /nfs/dbraw/zinc/17/33/76/525173376.db2.gz RUDMDFPKFUSGLM-UHFFFAOYSA-N 0 0 441.461 2.545 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1F ZINC000020994302 525220624 /nfs/dbraw/zinc/22/06/24/525220624.db2.gz FBZWLRDOTGWHEY-ZDUSSCGKSA-N 0 0 433.461 2.608 50 0 IFAARN Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)no1 ZINC000012769270 525233452 /nfs/dbraw/zinc/23/34/52/525233452.db2.gz WXUWYGALJBPAGF-JTQLQIEISA-N 0 0 434.337 2.846 50 0 IFAARN Cc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1S(=O)(=O)N1CCOCC1 ZINC000012679886 525239102 /nfs/dbraw/zinc/23/91/02/525239102.db2.gz BVPCKFBCICFDET-UHFFFAOYSA-N 0 0 449.554 2.678 50 0 IFAARN Cc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccc(F)c(F)c4)c(=O)n3c2)cc1 ZINC000015829561 525242460 /nfs/dbraw/zinc/24/24/60/525242460.db2.gz LHRZKNOYEGWNDU-UHFFFAOYSA-N 0 0 437.406 2.974 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000021705629 525244180 /nfs/dbraw/zinc/24/41/80/525244180.db2.gz GKZLOBYFIZQDBQ-IBGZPJMESA-N 0 0 431.510 2.994 50 0 IFAARN Cc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000012697805 525256766 /nfs/dbraw/zinc/25/67/66/525256766.db2.gz RAYVZMLFBPZPRY-UHFFFAOYSA-N 0 0 426.498 2.658 50 0 IFAARN Cc1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc32)cc1S(=O)(=O)N(C)C ZINC000012529764 525259241 /nfs/dbraw/zinc/25/92/41/525259241.db2.gz LWIYWWPSECGJDQ-UHFFFAOYSA-N 0 0 428.514 2.788 50 0 IFAARN CS(=O)(=O)c1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 ZINC000012792328 525269111 /nfs/dbraw/zinc/26/91/11/525269111.db2.gz KYFFCSDAJHKFGY-UHFFFAOYSA-N 0 0 431.539 2.838 50 0 IFAARN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1)c1ccccc1 ZINC000033262219 525290599 /nfs/dbraw/zinc/29/05/99/525290599.db2.gz QWSSDBBJXMBPJP-WBVHZDCISA-N 0 0 428.514 2.948 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)N3CCOCC3)c2)cc1 ZINC000012604524 525297830 /nfs/dbraw/zinc/29/78/30/525297830.db2.gz WNLXVQLNXQBEKA-UHFFFAOYSA-N 0 0 445.585 2.945 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCCC3=O)cc2)cc1C ZINC000012536114 525298738 /nfs/dbraw/zinc/29/87/38/525298738.db2.gz PUZRDPBRUPJTNU-UHFFFAOYSA-N 0 0 429.542 2.847 50 0 IFAARN Cc1ccc(O)c(C(=O)N2CCC(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2)c1 ZINC000040088587 525333343 /nfs/dbraw/zinc/33/33/43/525333343.db2.gz REHQMXLHJSWQDW-UHFFFAOYSA-N 0 0 449.551 2.974 50 0 IFAARN Cc1cc(OCC(=O)NCCNC(=O)c2nc(-c3cccs3)no2)cc(C)c1Cl ZINC000020352292 525360708 /nfs/dbraw/zinc/36/07/08/525360708.db2.gz OXJJMVAJSPQUFJ-UHFFFAOYSA-N 0 0 434.905 2.993 50 0 IFAARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 ZINC000012660581 525374027 /nfs/dbraw/zinc/37/40/27/525374027.db2.gz YKOKHHRKTZZLGE-HDICACEKSA-N 0 0 436.574 2.913 50 0 IFAARN Cc1cc(O[C@H](C)C(=O)NCCCN2CCOCC2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000020547461 525381854 /nfs/dbraw/zinc/38/18/54/525381854.db2.gz QDHJVAGTTAYUOQ-QGZVFWFLSA-N 0 0 428.529 2.586 50 0 IFAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C(N)=O)cnn32)cc1OC ZINC000044891457 525384655 /nfs/dbraw/zinc/38/46/55/525384655.db2.gz AQRGORFLOMWUIV-FQEVSTJZSA-N 0 0 433.468 2.927 50 0 IFAARN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000013126597 525395189 /nfs/dbraw/zinc/39/51/89/525395189.db2.gz LAKINQLJPIYXII-CQSZACIVSA-N 0 0 438.509 2.661 50 0 IFAARN Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000012897689 525420836 /nfs/dbraw/zinc/42/08/36/525420836.db2.gz WEWPNFQQZSPXTM-UHFFFAOYSA-N 0 0 435.521 2.537 50 0 IFAARN Cc1nc2[nH]c(NCc3ccc(Cl)cc3)nn2c(=O)c1CCC(=O)Nc1cccnc1 ZINC000021804148 525450841 /nfs/dbraw/zinc/45/08/41/525450841.db2.gz VSQBYJUIIGWCIW-UHFFFAOYSA-N 0 0 437.891 2.958 50 0 IFAARN Cc1cccn2cc(COC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)nc12 ZINC000012783384 525474159 /nfs/dbraw/zinc/47/41/59/525474159.db2.gz TXTRHDAQUGBKDO-UHFFFAOYSA-N 0 0 442.541 2.850 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n([C@@H](C)c2ccccc2)c1=O ZINC000020757510 525482591 /nfs/dbraw/zinc/48/25/91/525482591.db2.gz CXGJFWDEGVAWEI-YEJXKQKISA-N 0 0 432.480 2.577 50 0 IFAARN Cc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2ccccc2Br)cc1 ZINC000012924818 525485334 /nfs/dbraw/zinc/48/53/34/525485334.db2.gz FFDXOHJKNDYPMO-UHFFFAOYSA-N 0 0 439.331 2.676 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)c3cc(Br)ccc3-n3cnnn3)c2c1 ZINC000012323315 525492069 /nfs/dbraw/zinc/49/20/69/525492069.db2.gz WTUZBERXUFLEFM-UHFFFAOYSA-N 0 0 441.289 2.887 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)COc3ccc4nc5n(c(=O)c4c3)CCC5)c2c1 ZINC000012899346 525492999 /nfs/dbraw/zinc/49/29/99/525492999.db2.gz YMIZOLDSYLGSMB-UHFFFAOYSA-N 0 0 432.480 2.570 50 0 IFAARN Cc1c(-c2ccc(C)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000035684964 525506813 /nfs/dbraw/zinc/50/68/13/525506813.db2.gz JOGAPMYSKLYWIY-QGZVFWFLSA-N 0 0 439.497 2.986 50 0 IFAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000035684999 525508517 /nfs/dbraw/zinc/50/85/17/525508517.db2.gz ZHTKMZSUKFALLV-INIZCTEOSA-N 0 0 443.460 2.817 50 0 IFAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000035684845 525509244 /nfs/dbraw/zinc/50/92/44/525509244.db2.gz BGHYCHLCKCRBED-MRXNPFEDSA-N 0 0 425.470 2.677 50 0 IFAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000035684847 525509285 /nfs/dbraw/zinc/50/92/85/525509285.db2.gz BGHYCHLCKCRBED-INIZCTEOSA-N 0 0 425.470 2.677 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000022290453 525510474 /nfs/dbraw/zinc/51/04/74/525510474.db2.gz YDQNAIDKMNANIK-ZDUSSCGKSA-N 0 0 426.539 2.574 50 0 IFAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000012533941 525522145 /nfs/dbraw/zinc/52/21/45/525522145.db2.gz MDLHSVMHXJBSSX-SNVBAGLBSA-N 0 0 438.431 2.541 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cncc(Br)c3)CC2)cc1 ZINC000014393982 525522571 /nfs/dbraw/zinc/52/25/71/525522571.db2.gz IPWVQULSCMYRKR-UHFFFAOYSA-N 0 0 438.347 2.736 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000023681093 525526507 /nfs/dbraw/zinc/52/65/07/525526507.db2.gz QXDGBTLUKVWMQR-PXNSSMCTSA-N 0 0 437.587 2.562 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000012792841 525529763 /nfs/dbraw/zinc/52/97/63/525529763.db2.gz ZGIWSSIXWPJURC-UHFFFAOYSA-N 0 0 435.977 2.661 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(-n4cccn4)nc3)C2)s1 ZINC000012522344 525530903 /nfs/dbraw/zinc/53/09/03/525530903.db2.gz HCASRHONUCPWCH-OAHLLOKOSA-N 0 0 431.543 2.677 50 0 IFAARN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000016442464 525532116 /nfs/dbraw/zinc/53/21/16/525532116.db2.gz GGUPZKPDTKCBIA-OAHLLOKOSA-N 0 0 449.960 2.751 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@@H]1[C@H](C(=O)NCc1ccccc1F)C2 ZINC000035872099 525551930 /nfs/dbraw/zinc/55/19/30/525551930.db2.gz AEFQDVDWNHRLHS-NFBKMPQASA-N 0 0 447.514 2.808 50 0 IFAARN COc1ccc2c(c1)n(CC(=O)NCc1ccccc1)cc(C(=O)c1ccncc1)c2=O ZINC000035535221 525604158 /nfs/dbraw/zinc/60/41/58/525604158.db2.gz ZGVIGDTURPTJHK-UHFFFAOYSA-N 0 0 427.460 2.953 50 0 IFAARN COc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)n2C ZINC000012139806 525609178 /nfs/dbraw/zinc/60/91/78/525609178.db2.gz IWRCIUSMYNBAES-QZQOTICOSA-N 0 0 431.539 2.774 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)N(C(C)C)C1CCCCC1)OCC(=O)N2 ZINC000035452077 525610996 /nfs/dbraw/zinc/61/09/96/525610996.db2.gz JZGCZKYANXKDQM-UHFFFAOYSA-N 0 0 437.562 2.516 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@@H](C(=O)NC4CC4)C3)c2)cc1 ZINC000021710588 525613054 /nfs/dbraw/zinc/61/30/54/525613054.db2.gz LOWAJTCBAHTTAI-GOSISDBHSA-N 0 0 441.553 2.927 50 0 IFAARN COc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccc5c(c4)OCCO5)c3)cn2n1 ZINC000012441300 525657168 /nfs/dbraw/zinc/65/71/68/525657168.db2.gz FHSMNNQBWVABSG-UHFFFAOYSA-N 0 0 438.465 2.977 50 0 IFAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)N3CCC4(CC3)OCCO4)c2cc1C ZINC000032945037 525669073 /nfs/dbraw/zinc/66/90/73/525669073.db2.gz MWFQCXJMWGZRMO-CQSZACIVSA-N 0 0 439.434 2.959 50 0 IFAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)NCCCN3CCCC3=O)c2cc1C ZINC000032945014 525669101 /nfs/dbraw/zinc/66/91/01/525669101.db2.gz YELPTSHDUXWPNE-AWEZNQCLSA-N 0 0 438.450 2.722 50 0 IFAARN Cc1c(C(=O)OCC(=O)N(C)Cc2ccco2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000021240227 525669563 /nfs/dbraw/zinc/66/95/63/525669563.db2.gz FOAHLUVXYOQMNF-UHFFFAOYSA-N 0 0 429.498 2.901 50 0 IFAARN COc1ccc2oc(=O)cc(CN3CCN(C(=O)c4c(OC)cccc4OC)CC3)c2c1 ZINC000020869447 525684805 /nfs/dbraw/zinc/68/48/05/525684805.db2.gz QTURRGZJIDCTIO-UHFFFAOYSA-N 0 0 438.480 2.777 50 0 IFAARN COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)n(C)n3)nc2c1 ZINC000022768202 525696357 /nfs/dbraw/zinc/69/63/57/525696357.db2.gz SEOOMGQWLXKRLE-UHFFFAOYSA-N 0 0 429.546 2.716 50 0 IFAARN Cc1c(CN2C(=O)c3cccc(N4CCC[C@H](C(=O)N5CCCCC5)C4)c3C2=O)cnn1C ZINC000012247648 525701593 /nfs/dbraw/zinc/70/15/93/525701593.db2.gz ODYYUPSJKXKORF-SFHVURJKSA-N 0 0 449.555 2.754 50 0 IFAARN COc1cccc(-c2ccc(=O)n(CC(=O)Nc3nnc(Cc4ccccc4)s3)n2)c1 ZINC000044889922 525710946 /nfs/dbraw/zinc/71/09/46/525710946.db2.gz GUNOHCVKFQRBRB-UHFFFAOYSA-N 0 0 433.493 3.000 50 0 IFAARN COc1cccc(-c2nc(C)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)s2)c1 ZINC000012322875 525722747 /nfs/dbraw/zinc/72/27/47/525722747.db2.gz HAHBZEDTEKOCKE-UHFFFAOYSA-N 0 0 431.539 2.747 50 0 IFAARN Cc1ccc(-c2cn3c4c(nc3n2-c2ccc(CCCO)cc2)n(C)c(=O)n(C)c4=O)cc1 ZINC000012461992 525768241 /nfs/dbraw/zinc/76/82/41/525768241.db2.gz PXMSGVZPWXAYBK-UHFFFAOYSA-N 0 0 443.507 2.576 50 0 IFAARN C[C@@]1(C(=O)NC2CCCCCC2)CN(S(C)(=O)=O)CC(=O)N1c1ccc(Cl)cc1 ZINC000020927897 525793785 /nfs/dbraw/zinc/79/37/85/525793785.db2.gz MJBSAHBVTXAVPZ-FQEVSTJZSA-N 0 0 441.981 2.546 50 0 IFAARN COc1cccc(CCC(=O)N2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)c1 ZINC000012710717 525879465 /nfs/dbraw/zinc/87/94/65/525879465.db2.gz MVIAVDQSCPKDAH-SFHVURJKSA-N 0 0 426.517 2.663 50 0 IFAARN Cc1c(O[C@H](C)C(=O)NCCCN2CCOCC2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000020548039 525882482 /nfs/dbraw/zinc/88/24/82/525882482.db2.gz AZOVYCDVNXOSLN-QGZVFWFLSA-N 0 0 428.529 2.586 50 0 IFAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C(=O)N1CCCC1 ZINC000012683970 525886029 /nfs/dbraw/zinc/88/60/29/525886029.db2.gz NLVUJZPDVBGXQN-QGZVFWFLSA-N 0 0 448.585 2.520 50 0 IFAARN C[C@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000023265997 525888621 /nfs/dbraw/zinc/88/86/21/525888621.db2.gz HGCCKFMWZCJKCO-NSHDSACASA-N 0 0 439.873 2.911 50 0 IFAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)c1c[nH]c2ccccc21 ZINC000021372758 525891070 /nfs/dbraw/zinc/89/10/70/525891070.db2.gz DFUCTWNJSALKFG-HNNXBMFYSA-N 0 0 442.493 2.617 50 0 IFAARN Cc1ccc(-n2c(SCC(=O)N(C)CC(=O)NC(C)(C)C)nnc2N2CCCC2)cc1 ZINC000012589202 525897652 /nfs/dbraw/zinc/89/76/52/525897652.db2.gz HCAYTINCBUWNFM-UHFFFAOYSA-N 0 0 444.605 2.641 50 0 IFAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3c2nc[nH]c3=O)cc1 ZINC000012462127 525898941 /nfs/dbraw/zinc/89/89/41/525898941.db2.gz PPORIJJCLRARQT-UHFFFAOYSA-N 0 0 435.465 2.877 50 0 biogenic,in-vitro IFAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000012679159 525903679 /nfs/dbraw/zinc/90/36/79/525903679.db2.gz ZIQBVWPFPWFONG-DFBJGRDBSA-N 0 0 449.507 2.979 50 0 IFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc1 ZINC000011665818 525933886 /nfs/dbraw/zinc/93/38/86/525933886.db2.gz KYTYGLCZXRDSRI-SFHVURJKSA-N 0 0 443.511 2.635 50 0 IFAARN COc1cccc(CN2CCCN(CC(=O)Nc3ccc(F)c(Cl)c3)S2(=O)=O)c1 ZINC000021629318 525935199 /nfs/dbraw/zinc/93/51/99/525935199.db2.gz NAYFNCONMGIXCC-UHFFFAOYSA-N 0 0 441.912 2.879 50 0 IFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)cc1 ZINC000011665817 525935287 /nfs/dbraw/zinc/93/52/87/525935287.db2.gz KYTYGLCZXRDSRI-GOSISDBHSA-N 0 0 443.511 2.635 50 0 IFAARN Cc1cn2c(nc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c2=O)s1 ZINC000020921792 525938568 /nfs/dbraw/zinc/93/85/68/525938568.db2.gz ROELAXFVUUMDKB-CQSZACIVSA-N 0 0 432.571 2.581 50 0 IFAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(n2cc(C(=O)N3CCCC3)nn2)CC1 ZINC000012097238 525939422 /nfs/dbraw/zinc/93/94/22/525939422.db2.gz ZWMAHQUNLMDLIG-OAHLLOKOSA-N 0 0 431.924 2.799 50 0 IFAARN COc1cccc(CN2C[C@H](OCC3CC3)CN(C(=O)C(=O)c3ccccc3)CC2=O)c1 ZINC000014538686 525958524 /nfs/dbraw/zinc/95/85/24/525958524.db2.gz QENJDZWDYRVUAU-QFIPXVFZSA-N 0 0 436.508 2.544 50 0 IFAARN Cc1c2ccc(OCC(=O)N3CCC[C@@H]3C(N)=O)c(C)c2oc(=O)c1Cc1ccccc1 ZINC000035686244 525965415 /nfs/dbraw/zinc/96/54/15/525965415.db2.gz SCORYBLOSLYSHT-HXUWFJFHSA-N 0 0 434.492 2.856 50 0 IFAARN C=C1C(NCC(=O)NCc2cccc(OC)c2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000021163115 525971679 /nfs/dbraw/zinc/97/16/79/525971679.db2.gz ABMQYPOWUNTBMI-UHFFFAOYSA-N 0 0 427.526 2.691 50 0 IFAARN COc1cccc(CNC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)c1 ZINC000012233256 525974083 /nfs/dbraw/zinc/97/40/83/525974083.db2.gz NQYROJNYMSRJAK-QGZVFWFLSA-N 0 0 447.520 2.944 50 0 IFAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)NC(=O)NC(C)(C)C ZINC000012553557 525989794 /nfs/dbraw/zinc/98/97/94/525989794.db2.gz COXIGFYHUBQIDA-AWEZNQCLSA-N 0 0 442.607 2.751 50 0 IFAARN C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)C(=O)NCC1CCCCC1 ZINC000012924565 526000892 /nfs/dbraw/zinc/00/08/92/526000892.db2.gz XNAGRWJWPXRLED-GFCCVEGCSA-N 0 0 443.573 2.869 50 0 IFAARN C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)NC(=O)NC(C)(C)C ZINC000022188651 526001140 /nfs/dbraw/zinc/00/11/40/526001140.db2.gz KHFJDLQWMYFKMI-AWEZNQCLSA-N 0 0 431.562 2.567 50 0 IFAARN C[C@H](C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000252516341 526009788 /nfs/dbraw/zinc/00/97/88/526009788.db2.gz SCZFTINAQACSSV-TWMKSMIVSA-N 0 0 433.549 2.741 50 0 IFAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000012929674 526033454 /nfs/dbraw/zinc/03/34/54/526033454.db2.gz HANMYYBIDCUGKY-HNNXBMFYSA-N 0 0 447.948 2.906 50 0 IFAARN Cc1ccc(C(=O)CCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)s1 ZINC000012787918 526036121 /nfs/dbraw/zinc/03/61/21/526036121.db2.gz CETJPTDCWUEYCS-IBGZPJMESA-N 0 0 428.510 2.530 50 0 IFAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CN3CCC4(CC3)OCCO4)C2=O)cc1 ZINC000012447576 526051447 /nfs/dbraw/zinc/05/14/47/526051447.db2.gz UYKOOKWCPZLOFU-RUZDIDTESA-N 0 0 436.508 2.599 50 0 IFAARN C[C@@H](c1ccccc1)N(C)C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012998641 526083230 /nfs/dbraw/zinc/08/32/30/526083230.db2.gz FOTJXFYTPDRAOA-SFHVURJKSA-N 0 0 433.549 2.742 50 0 IFAARN CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)c1 ZINC000013567085 526114268 /nfs/dbraw/zinc/11/42/68/526114268.db2.gz BZXJVXYXBYTQNI-UHFFFAOYSA-N 0 0 436.555 2.755 50 0 IFAARN Cc1cc(=O)c(C(=O)NCC2(N3CCOCC3)CCCCC2)nn1-c1ccccc1Cl ZINC000022462467 526129136 /nfs/dbraw/zinc/12/91/36/526129136.db2.gz MXMPZTUSDWHBJX-UHFFFAOYSA-N 0 0 444.963 2.959 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)nn1-c1ccccc1 ZINC000022302934 526132147 /nfs/dbraw/zinc/13/21/47/526132147.db2.gz TZOGYXYGNDGCCW-HZPDHXFCSA-N 0 0 439.541 2.859 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)nn1-c1ccccc1 ZINC000022302941 526133130 /nfs/dbraw/zinc/13/31/30/526133130.db2.gz TZOGYXYGNDGCCW-HOTGVXAUSA-N 0 0 439.541 2.859 50 0 IFAARN C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012887108 526140388 /nfs/dbraw/zinc/14/03/88/526140388.db2.gz PKUDSXYJZQIYDI-OAHLLOKOSA-N 0 0 449.523 2.787 50 0 IFAARN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012906992 526140459 /nfs/dbraw/zinc/14/04/59/526140459.db2.gz UGTIMIUYMHQNIP-OAHLLOKOSA-N 0 0 449.523 2.787 50 0 IFAARN COc1cccc(N2C(=O)c3ccccc3/C(=C\NCC(C)(C)N3CCOCC3)C2=O)c1 ZINC000020664336 526142427 /nfs/dbraw/zinc/14/24/27/526142427.db2.gz BQARVGUWXQQUCB-CJLVFECKSA-N 0 0 435.524 2.924 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CNC(=O)NCc1ccccc1 ZINC000012798666 526166173 /nfs/dbraw/zinc/16/61/73/526166173.db2.gz TYBMJOYROSLGKB-UHFFFAOYSA-N 0 0 447.333 2.654 50 0 IFAARN COc1cccc(NC(=O)CCc2c(C)nc3[nH]c(NCc4ccccc4)nn3c2=O)c1 ZINC000021803973 526172243 /nfs/dbraw/zinc/17/22/43/526172243.db2.gz SNCHINURYAWAIS-UHFFFAOYSA-N 0 0 432.484 2.918 50 0 IFAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000022799569 526177051 /nfs/dbraw/zinc/17/70/51/526177051.db2.gz LLZYFHLYTCGFCH-KRWDZBQOSA-N 0 0 445.633 2.738 50 0 IFAARN C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000022912565 526183480 /nfs/dbraw/zinc/18/34/80/526183480.db2.gz OKXGEDLHIZMZOB-OAHLLOKOSA-N 0 0 437.569 2.609 50 0 IFAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012770384 526186273 /nfs/dbraw/zinc/18/62/73/526186273.db2.gz JKSCVIWFFKYLLD-PBHICJAKSA-N 0 0 426.498 2.843 50 0 IFAARN COc1cccc(NC(=O)NCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1OC ZINC000035595042 526190921 /nfs/dbraw/zinc/19/09/21/526190921.db2.gz DYVHQFVGBDILDH-UHFFFAOYSA-N 0 0 426.473 2.604 50 0 IFAARN COc1cccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000012929034 526195790 /nfs/dbraw/zinc/19/57/90/526195790.db2.gz RERTZHBMLWMTAH-QGZVFWFLSA-N 0 0 443.569 2.517 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000022781230 526217167 /nfs/dbraw/zinc/21/71/67/526217167.db2.gz WSGATWVWZVVSGO-SFHVURJKSA-N 0 0 434.540 2.503 50 0 IFAARN CSc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000012733638 526222986 /nfs/dbraw/zinc/22/29/86/526222986.db2.gz DXTNYCASZCEIHE-UHFFFAOYSA-N 0 0 445.488 2.969 50 0 IFAARN Cc1ccc(C(C)C)c(OCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 ZINC000016179574 526246916 /nfs/dbraw/zinc/24/69/16/526246916.db2.gz CQLWPMUJOMVFSH-UHFFFAOYSA-N 0 0 440.569 2.911 50 0 IFAARN Cc1ccc(C)c(-c2cc(C(=O)N(CCC(=O)N3CCOCC3)C[C@@H]3CCCO3)no2)c1 ZINC000036015545 526255464 /nfs/dbraw/zinc/25/54/64/526255464.db2.gz KYKKFHWZCWICQS-IBGZPJMESA-N 0 0 441.528 2.829 50 0 IFAARN Cc1ccc(C)c(-c2cc(C(=O)N(CCC(=O)N3CCOCC3)C[C@H]3CCCO3)no2)c1 ZINC000036015547 526255493 /nfs/dbraw/zinc/25/54/93/526255493.db2.gz KYKKFHWZCWICQS-LJQANCHMSA-N 0 0 441.528 2.829 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000022932680 526256502 /nfs/dbraw/zinc/25/65/02/526256502.db2.gz VOPDEDZYKIRZLZ-WMZOPIPTSA-N 0 0 440.510 2.956 50 0 IFAARN Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 ZINC000012875027 526258123 /nfs/dbraw/zinc/25/81/23/526258123.db2.gz FTDDEQSNOSYSAX-UHFFFAOYSA-N 0 0 438.553 2.680 50 0 IFAARN O=C(NCCCn1cccn1)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 ZINC000012570633 526286932 /nfs/dbraw/zinc/28/69/32/526286932.db2.gz ZJUDNTMOUYOUET-UHFFFAOYSA-N 0 0 433.512 2.782 50 0 IFAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000012919061 526296606 /nfs/dbraw/zinc/29/66/06/526296606.db2.gz IWOCUGOWFHXXOP-UHFFFAOYSA-N 0 0 443.979 2.582 50 0 IFAARN O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000012550779 526301679 /nfs/dbraw/zinc/30/16/79/526301679.db2.gz OQUXNLFPPWDPCK-FWHZQNPKSA-N 0 0 429.885 2.891 50 0 IFAARN O=C(C1CCN(Cc2nc(-c3ccccc3)no2)CC1)N1CCN(c2ccccn2)CC1 ZINC000040926776 526305624 /nfs/dbraw/zinc/30/56/24/526305624.db2.gz AHBSZOHIKPZVBJ-UHFFFAOYSA-N 0 0 432.528 2.692 50 0 IFAARN O=C(C1CCN(c2nc3ccccc3[nH]c2=O)CC1)N1CCN(c2ccccc2F)CC1 ZINC000022580963 526308513 /nfs/dbraw/zinc/30/85/13/526308513.db2.gz KXWQQRSGSFUTNL-UHFFFAOYSA-N 0 0 435.503 2.627 50 0 IFAARN O=C(NCCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccsc1 ZINC000042383335 526313544 /nfs/dbraw/zinc/31/35/44/526313544.db2.gz JQXWSEKDBGNWLO-UHFFFAOYSA-N 0 0 447.504 2.503 50 0 IFAARN O=C(CC1(CC(=O)N2CCOCC2)CCCC1)O[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000012851069 526328432 /nfs/dbraw/zinc/32/84/32/526328432.db2.gz JVRNRNFWKDPHRR-JOCHJYFZSA-N 0 0 428.529 2.749 50 0 IFAARN O=C(NCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(NC(=O)C2CCCC2)cc1 ZINC000021683103 526338028 /nfs/dbraw/zinc/33/80/28/526338028.db2.gz GROODIDGQSABEP-UHFFFAOYSA-N 0 0 433.505 2.663 50 0 IFAARN O=C(NCCO)C1CCN(c2cccc3c2C(=O)N(C2CCCCCCC2)C3=O)CC1 ZINC000012217838 526342714 /nfs/dbraw/zinc/34/27/14/526342714.db2.gz LBCQMVCXPPMVNU-UHFFFAOYSA-N 0 0 427.545 2.720 50 0 IFAARN O=C(CCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NCCc1ccccc1 ZINC000020734745 526379426 /nfs/dbraw/zinc/37/94/26/526379426.db2.gz HIWFGTWCYIRNKB-UHFFFAOYSA-N 0 0 432.524 2.591 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012922754 526402111 /nfs/dbraw/zinc/40/21/11/526402111.db2.gz XHWBASMOWNHQRX-UHFFFAOYSA-N 0 0 443.903 2.877 50 0 IFAARN O=C(NCCc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000012684303 526413867 /nfs/dbraw/zinc/41/38/67/526413867.db2.gz HFBOWNHRXYLFKY-UHFFFAOYSA-N 0 0 444.553 2.995 50 0 IFAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 ZINC000009637054 526419670 /nfs/dbraw/zinc/41/96/70/526419670.db2.gz RZTGLIOOBLQUQU-CVDCTZTESA-N 0 0 437.521 2.854 50 0 IFAARN O=C(NCCc1ccccc1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000012322204 526422035 /nfs/dbraw/zinc/42/20/35/526422035.db2.gz WGWCLXVTUNLZGL-HXUWFJFHSA-N 0 0 437.515 2.776 50 0 IFAARN O=C(OCc1cc(-c2ccccc2F)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016838651 526424098 /nfs/dbraw/zinc/42/40/98/526424098.db2.gz FPSIQIRIKGMREU-UHFFFAOYSA-N 0 0 446.456 2.859 50 0 IFAARN Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccc(Br)cc1 ZINC000012566288 526435535 /nfs/dbraw/zinc/43/55/35/526435535.db2.gz ZNJZDKVQQXOFEQ-BOPFTXTBSA-N 0 0 442.273 2.924 50 0 IFAARN Cc1noc(-c2ccc(C(=O)NCc3ccccc3CS(=O)(=O)NC(C)C)cc2)n1 ZINC000012792540 526450237 /nfs/dbraw/zinc/45/02/37/526450237.db2.gz HVLNAXNLNVIBPR-UHFFFAOYSA-N 0 0 428.514 2.803 50 0 IFAARN O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000012855424 526454751 /nfs/dbraw/zinc/45/47/51/526454751.db2.gz YLASMFAFFBSGBM-UHFFFAOYSA-N 0 0 447.582 2.889 50 0 IFAARN O=C(NCCc1nnc2n1CCN(C(=O)c1c(F)ccc(F)c1F)CC2)C1CCCCC1 ZINC000012049182 526465161 /nfs/dbraw/zinc/46/51/61/526465161.db2.gz KHTRHKSUSLJOAK-UHFFFAOYSA-N 0 0 449.477 2.633 50 0 IFAARN O=C(CCCn1c(=O)c2cccn2c2cccnc21)N1CCN(Cc2ccccc2)CC1 ZINC000020512811 526469934 /nfs/dbraw/zinc/46/99/34/526469934.db2.gz UTJWTEBDWLNJOC-UHFFFAOYSA-N 0 0 429.524 2.774 50 0 IFAARN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000021554699 526472432 /nfs/dbraw/zinc/47/24/32/526472432.db2.gz JLZBSOJZQWDVQD-NRFANRHFSA-N 0 0 447.988 2.838 50 0 IFAARN O=C(CCCn1sc2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020467420 526473506 /nfs/dbraw/zinc/47/35/06/526473506.db2.gz KRVZVDLEJHLPJI-UHFFFAOYSA-N 0 0 439.537 2.916 50 0 IFAARN Cc1noc(C)c1CCC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000009516408 526484714 /nfs/dbraw/zinc/48/47/14/526484714.db2.gz DSVYKPUCDUSPNO-UHFFFAOYSA-N 0 0 441.919 2.772 50 0 IFAARN Cc1noc(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012907192 526485274 /nfs/dbraw/zinc/48/52/74/526485274.db2.gz RBOQSCGPFMORFG-UHFFFAOYSA-N 0 0 445.463 2.776 50 0 IFAARN O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000015859662 526494393 /nfs/dbraw/zinc/49/43/93/526494393.db2.gz NUEDPEGAHKIOSA-KRWDZBQOSA-N 0 0 425.441 2.509 50 0 IFAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000022907521 526494979 /nfs/dbraw/zinc/49/49/79/526494979.db2.gz NYOVAZVQJPQLNJ-IBGZPJMESA-N 0 0 433.464 2.863 50 0 IFAARN O=C(CCNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCN(c2ccccc2)CC1 ZINC000012324655 526499619 /nfs/dbraw/zinc/49/96/19/526499619.db2.gz BLNIQMDLOZOHHN-UHFFFAOYSA-N 0 0 431.540 2.975 50 0 IFAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000020215913 526503471 /nfs/dbraw/zinc/50/34/71/526503471.db2.gz QXQGQJDGHWWGKE-ZDUSSCGKSA-N 0 0 446.451 2.965 50 0 IFAARN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCN(Cc2cccs2)CC1 ZINC000022662550 526504053 /nfs/dbraw/zinc/50/40/53/526504053.db2.gz LZOKLFBLZHDMFO-UHFFFAOYSA-N 0 0 436.375 2.975 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(Br)cc1 ZINC000021633353 526513079 /nfs/dbraw/zinc/51/30/79/526513079.db2.gz AHIZNBLJFWIHPD-UHFFFAOYSA-N 0 0 426.288 2.544 50 0 IFAARN O=C(CCNS(=O)(=O)c1cccnc1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000012545996 526513481 /nfs/dbraw/zinc/51/34/81/526513481.db2.gz IEHTUYHNFZFFPQ-UHFFFAOYSA-N 0 0 436.489 2.747 50 0 IFAARN O=C(NC[C@@H]1CCCO1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000016650361 526516743 /nfs/dbraw/zinc/51/67/43/526516743.db2.gz QDNLGCJLNBVKQN-INIZCTEOSA-N 0 0 435.373 2.830 50 0 IFAARN Cc1noc(C)c1CSCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000022323659 526524934 /nfs/dbraw/zinc/52/49/34/526524934.db2.gz QPAJNAHWMCGGSV-UHFFFAOYSA-N 0 0 433.559 2.981 50 0 IFAARN O=C(CCSCCC(=O)NC(=O)NCc1ccccc1)NC(=O)NCc1ccccc1 ZINC000012820409 526539008 /nfs/dbraw/zinc/53/90/08/526539008.db2.gz QTECEKUOULCAIZ-UHFFFAOYSA-N 0 0 442.541 2.552 50 0 IFAARN O=C(CC[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1)NCc1ccccc1F ZINC000012477787 526568663 /nfs/dbraw/zinc/56/86/63/526568663.db2.gz HCALFGJSZALDTO-QGZVFWFLSA-N 0 0 436.487 2.782 50 0 IFAARN O=C(c1c(F)cccc1F)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 ZINC000012342397 526577823 /nfs/dbraw/zinc/57/78/23/526577823.db2.gz LJSWDMMNDDUWNX-UHFFFAOYSA-N 0 0 428.482 2.680 50 0 IFAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000022907530 526580851 /nfs/dbraw/zinc/58/08/51/526580851.db2.gz NALFIDBDJCYHOZ-HXUWFJFHSA-N 0 0 447.491 2.905 50 0 IFAARN O=C(NC[C@H](c1ccsc1)N1CCOCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000022766611 526581822 /nfs/dbraw/zinc/58/18/22/526581822.db2.gz CGEDCKWPAPYANR-MRXNPFEDSA-N 0 0 443.447 2.775 50 0 IFAARN Cc1nc(-c2cccc(N3C[C@@H](C(=O)N4CCN(c5ccccc5)CC4)CC3=O)c2)no1 ZINC000021884953 526583765 /nfs/dbraw/zinc/58/37/65/526583765.db2.gz FDYMZPLSBZRNDA-IBGZPJMESA-N 0 0 431.496 2.747 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cnc2ccccc2c1 ZINC000012542804 526596839 /nfs/dbraw/zinc/59/68/39/526596839.db2.gz DMMTUYZQOHQYBP-UHFFFAOYSA-N 0 0 425.510 2.827 50 0 IFAARN O=C(CCc1ccc2c(c1)OCO2)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000012741477 526597700 /nfs/dbraw/zinc/59/77/00/526597700.db2.gz SIYZKNZXECOQAY-UHFFFAOYSA-N 0 0 426.498 2.804 50 0 IFAARN O=C(CCc1ccccc1)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000035376515 526605982 /nfs/dbraw/zinc/60/59/82/526605982.db2.gz SAENRYILMHXFSY-UHFFFAOYSA-N 0 0 437.515 2.620 50 0 IFAARN O=C(c1cc(F)ccc1F)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000012914766 526622821 /nfs/dbraw/zinc/62/28/21/526622821.db2.gz PPMGKALYMAIMNW-UHFFFAOYSA-N 0 0 445.285 2.874 50 0 IFAARN O=C(NC[C@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000021873124 526625941 /nfs/dbraw/zinc/62/59/41/526625941.db2.gz CDZWOCBFKHTUMS-INIZCTEOSA-N 0 0 444.534 2.796 50 0 IFAARN O=C(NCc1cc(F)ccc1F)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O ZINC000012191394 526643130 /nfs/dbraw/zinc/64/31/30/526643130.db2.gz PQODWUPOSVHDAB-UHFFFAOYSA-N 0 0 437.446 2.997 50 0 IFAARN O=C(c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)N1CCN(c2ccccc2)CC1 ZINC000021933240 526643804 /nfs/dbraw/zinc/64/38/04/526643804.db2.gz DFMQRSMAYCMPJA-UHFFFAOYSA-N 0 0 429.524 2.892 50 0 IFAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000014371595 526657583 /nfs/dbraw/zinc/65/75/83/526657583.db2.gz HEAFMPDJUYDKGA-UHFFFAOYSA-N 0 0 443.500 2.946 50 0 IFAARN O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N1CCN(Cc2ccccc2)CC1 ZINC000020601060 526666048 /nfs/dbraw/zinc/66/60/48/526666048.db2.gz DEWJSYBWKMEQEC-UHFFFAOYSA-N 0 0 434.496 2.666 50 0 IFAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000012323142 526671666 /nfs/dbraw/zinc/67/16/66/526671666.db2.gz FZRRAQBPMPYCAS-UHFFFAOYSA-N 0 0 441.296 2.676 50 0 IFAARN Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)c12 ZINC000012798389 526681808 /nfs/dbraw/zinc/68/18/08/526681808.db2.gz HPKDSXORBGHOGF-UHFFFAOYSA-N 0 0 440.525 2.696 50 0 IFAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)NC[C@@H]1COc2ccccc2O1 ZINC000022459193 526682923 /nfs/dbraw/zinc/68/29/23/526682923.db2.gz LMIYREZMAPLHJE-CQSZACIVSA-N 0 0 444.285 2.505 50 0 IFAARN O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000036735612 526688825 /nfs/dbraw/zinc/68/88/25/526688825.db2.gz JTPDLIKRAGDQRH-UHFFFAOYSA-N 0 0 429.536 2.929 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000065031862 526693066 /nfs/dbraw/zinc/69/30/66/526693066.db2.gz HSNFNJJHBCSFSD-INIZCTEOSA-N 0 0 447.582 2.592 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000012229921 526700290 /nfs/dbraw/zinc/70/02/90/526700290.db2.gz SOALVZMSSCVOQC-QGZVFWFLSA-N 0 0 439.493 2.568 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)Nc1nccs1 ZINC000035445842 526715014 /nfs/dbraw/zinc/71/50/14/526715014.db2.gz BDUPCDQAEUSSLM-KRWDZBQOSA-N 0 0 439.541 2.723 50 0 IFAARN O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020573549 526717465 /nfs/dbraw/zinc/71/74/65/526717465.db2.gz IIOISWUYQUPOOW-UHFFFAOYSA-N 0 0 440.503 2.764 50 0 IFAARN O=C(NCc1ccccc1F)C1CCN(c2nn3c(nc4c(c3=O)CCCC4)s2)CC1 ZINC000021664211 526750030 /nfs/dbraw/zinc/75/00/30/526750030.db2.gz ZLPMQKVSFIZYNX-UHFFFAOYSA-N 0 0 441.532 2.702 50 0 IFAARN O=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O)NCCCc1ccccc1 ZINC000035537106 526762443 /nfs/dbraw/zinc/76/24/43/526762443.db2.gz NRJCLICBQMIBIT-UHFFFAOYSA-N 0 0 428.920 2.765 50 0 IFAARN O=C(NCc1cccnc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012586603 526766429 /nfs/dbraw/zinc/76/64/29/526766429.db2.gz BGIOARBZNGIJEG-UHFFFAOYSA-N 0 0 429.329 2.605 50 0 IFAARN O=C(NCc1cccnc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613402 526766574 /nfs/dbraw/zinc/76/65/74/526766574.db2.gz KLUATSAKDILMJN-UHFFFAOYSA-N 0 0 425.913 2.732 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000012681592 526775497 /nfs/dbraw/zinc/77/54/97/526775497.db2.gz AMGOXIZYEKGPKE-UHFFFAOYSA-N 0 0 439.541 2.534 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000012790344 526775912 /nfs/dbraw/zinc/77/59/12/526775912.db2.gz BPQPXLYVZCTZIP-GOSISDBHSA-N 0 0 439.541 2.534 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(Cc2ccncc2)CC1 ZINC000012533504 526776203 /nfs/dbraw/zinc/77/62/03/526776203.db2.gz UYMYDUMMCZREOX-UHFFFAOYSA-N 0 0 442.585 2.604 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCCCCC1 ZINC000012733432 526778608 /nfs/dbraw/zinc/77/86/08/526778608.db2.gz ABSDWKOSTPDONK-UHFFFAOYSA-N 0 0 434.389 2.702 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1cc(Cl)ccc1F ZINC000012887049 526778879 /nfs/dbraw/zinc/77/88/79/526778879.db2.gz CTFSZYGUVVZIIA-UHFFFAOYSA-N 0 0 425.913 2.565 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)NC1CCCCCC1 ZINC000012776113 526778937 /nfs/dbraw/zinc/77/89/37/526778937.db2.gz BCWANUSOTRUAQM-UHFFFAOYSA-N 0 0 447.523 2.851 50 0 IFAARN O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000021532302 526781073 /nfs/dbraw/zinc/78/10/73/526781073.db2.gz HUTLIPJYXKNZFP-UHFFFAOYSA-N 0 0 447.582 2.740 50 0 IFAARN O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000022793846 526781305 /nfs/dbraw/zinc/78/13/05/526781305.db2.gz XAWBQPPAHVUTEA-SFHVURJKSA-N 0 0 445.610 2.581 50 0 IFAARN O=C(c1ccccc1)N1CCN(Cc2cc(=O)n3nc(-c4cccc(F)c4)sc3n2)CC1 ZINC000035509656 526793980 /nfs/dbraw/zinc/79/39/80/526793980.db2.gz HWPZVYPJUJBDAU-UHFFFAOYSA-N 0 0 449.511 2.915 50 0 IFAARN O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)CC1 ZINC000033263926 526830413 /nfs/dbraw/zinc/83/04/13/526830413.db2.gz KKBXWQVAWZKWTA-UHFFFAOYSA-N 0 0 445.375 2.693 50 0 IFAARN O=C(CNC(=O)NCc1ccccc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012393303 526841140 /nfs/dbraw/zinc/84/11/40/526841140.db2.gz QKQWVIJJAYMOBS-UHFFFAOYSA-N 0 0 434.462 2.849 50 0 IFAARN O=C(CNC(=O)c1ccc(F)cc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000012789272 526856022 /nfs/dbraw/zinc/85/60/22/526856022.db2.gz UKILQKYJUQSFLT-BOPFTXTBSA-N 0 0 445.447 2.547 50 0 IFAARN O=C(CNC(=O)c1ccc(F)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000018079455 526856671 /nfs/dbraw/zinc/85/66/71/526856671.db2.gz SLRHZBXYSKJMMK-UHFFFAOYSA-N 0 0 444.816 2.972 50 0 IFAARN NC(=O)CCc1nnc(SCc2ccccc2Br)n1C[C@@H]1CCCO1 ZINC000023369009 526877109 /nfs/dbraw/zinc/87/71/09/526877109.db2.gz ZOVAVCSXGDMCLS-ZDUSSCGKSA-N 0 0 425.352 2.930 50 0 IFAARN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000012391945 526885398 /nfs/dbraw/zinc/88/53/98/526885398.db2.gz MNMQWOFVDIRITJ-LJQANCHMSA-N 0 0 449.536 2.567 50 0 IFAARN O=C(CNS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1)c1ccccc1 ZINC000018197912 526885989 /nfs/dbraw/zinc/88/59/89/526885989.db2.gz XLAIEHIIAREGJW-UHFFFAOYSA-N 0 0 438.461 2.829 50 0 IFAARN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000012391946 526886077 /nfs/dbraw/zinc/88/60/77/526886077.db2.gz MNMQWOFVDIRITJ-IBGZPJMESA-N 0 0 449.536 2.567 50 0 IFAARN Cc1sc2nc(CN3CCOCC3)nc(-n3nnc(-c4ccc(F)cc4)n3)c2c1C ZINC000023983819 526891843 /nfs/dbraw/zinc/89/18/43/526891843.db2.gz CRUDXEBWTKYXTI-UHFFFAOYSA-N 0 0 425.493 2.922 50 0 IFAARN O=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc2c(c1)OCO2 ZINC000022449227 526905912 /nfs/dbraw/zinc/90/59/12/526905912.db2.gz XFZCQZMKSZLLQJ-UHFFFAOYSA-N 0 0 431.391 2.972 50 0 IFAARN O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)NC(=O)NC1CCCCC1 ZINC000012569367 526907516 /nfs/dbraw/zinc/90/75/16/526907516.db2.gz KLYOZKKDZQYYRA-UHFFFAOYSA-N 0 0 432.473 2.513 50 0 IFAARN O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000021732783 526907777 /nfs/dbraw/zinc/90/77/77/526907777.db2.gz LKFOPGPFXUKNOM-UHFFFAOYSA-N 0 0 447.797 2.705 50 0 IFAARN O=C(COC(=O)c1ccc(-n2cccc2)cc1)NCC1(N2CCOCC2)CCCCC1 ZINC000023732120 526913319 /nfs/dbraw/zinc/91/33/19/526913319.db2.gz VGCDCSQXYJROCV-UHFFFAOYSA-N 0 0 425.529 2.785 50 0 IFAARN O=C(COC(=O)c1cccc(I)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000012528952 526915172 /nfs/dbraw/zinc/91/51/72/526915172.db2.gz VRILZNQANPHTTH-UHFFFAOYSA-N 0 0 437.189 2.662 50 0 IFAARN O=C(COc1ccc(Cl)cc1)NCCNC(=O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000012374742 526953184 /nfs/dbraw/zinc/95/31/84/526953184.db2.gz UMBGTEFOORZPQF-UHFFFAOYSA-N 0 0 435.267 2.968 50 0 IFAARN NC(=O)[C@@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000023575719 526958086 /nfs/dbraw/zinc/95/80/86/526958086.db2.gz WALDPVJXLMACPX-QAPCUYQASA-N 0 0 436.917 2.511 50 0 IFAARN O=C(COc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012747438 526961539 /nfs/dbraw/zinc/96/15/39/526961539.db2.gz PRPNKHCRZPPTHT-UHFFFAOYSA-N 0 0 430.860 2.530 50 0 IFAARN O=C(COc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000018218969 526974931 /nfs/dbraw/zinc/97/49/31/526974931.db2.gz CSXKQWNXOFDHAJ-UHFFFAOYSA-N 0 0 442.459 2.758 50 0 IFAARN O=C(COc1ncnc2sc(-c3ccccc3)cc21)NCCN1C(=O)CSC1=O ZINC000012549289 527004160 /nfs/dbraw/zinc/00/41/60/527004160.db2.gz FUAGADAUXMYGKH-UHFFFAOYSA-N 0 0 428.495 2.549 50 0 IFAARN O=C(CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12)N1CCOCC1 ZINC000012389879 527011651 /nfs/dbraw/zinc/01/16/51/527011651.db2.gz IJSCFZBTBSDIFC-UHFFFAOYSA-N 0 0 444.948 2.571 50 0 IFAARN NC(=O)[C@H]1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c2ccccc2O1 ZINC000012608368 527012836 /nfs/dbraw/zinc/01/28/36/527012836.db2.gz SJPDPHYNFUOECA-OAQYLSRUSA-N 0 0 430.464 2.630 50 0 IFAARN O=C1C[C@@H](N2CCN(Cc3cccs3)CC2)C(=O)N1c1ccccc1Br ZINC000022848403 527017719 /nfs/dbraw/zinc/01/77/19/527017719.db2.gz AOXGWTMOOFRERN-QGZVFWFLSA-N 0 0 434.359 2.960 50 0 IFAARN NC(=O)c1cc(NC(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)cc(C(N)=O)c1 ZINC000020992009 527029589 /nfs/dbraw/zinc/02/95/89/527029589.db2.gz PFFYAPNYUJTSQZ-UHFFFAOYSA-N 0 0 449.536 2.680 50 0 IFAARN O=C1N(CN2CCOCC2)c2ccccc2[C@@]12OC[C@@H](COc1ccc(Cl)cc1)O2 ZINC000020494795 527037371 /nfs/dbraw/zinc/03/73/71/527037371.db2.gz HSRQKNLJNNFPDB-GCJKJVERSA-N 0 0 430.888 2.624 50 0 IFAARN O=C(CSc1ccc2ccccc2n1)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000012249938 527038756 /nfs/dbraw/zinc/03/87/56/527038756.db2.gz XWNATXTZRQQWOX-UHFFFAOYSA-N 0 0 431.525 2.651 50 0 IFAARN O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)NCc1ccc2c(c1)OCO2 ZINC000015882776 527053412 /nfs/dbraw/zinc/05/34/12/527053412.db2.gz ZJKZPBDBYZCMLZ-UHFFFAOYSA-N 0 0 439.493 2.511 50 0 IFAARN O=C(CSc1nc(CN2CCOCC2)nc2ccccc21)NCCc1cccs1 ZINC000012851437 527055364 /nfs/dbraw/zinc/05/53/64/527055364.db2.gz NCWBVWMOOYTOOA-UHFFFAOYSA-N 0 0 428.583 2.975 50 0 IFAARN O=C(N[C@H]1CCSc2c(F)cccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012621968 527063561 /nfs/dbraw/zinc/06/35/61/527063561.db2.gz YCHIWDLRYKBRFH-SFHVURJKSA-N 0 0 436.530 2.814 50 0 IFAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000023873358 527068322 /nfs/dbraw/zinc/06/83/22/527068322.db2.gz ZJWPHPDVNAOILN-UHFFFAOYSA-N 0 0 437.569 2.969 50 0 IFAARN O=C(CSc1nccn1C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000021831465 527072533 /nfs/dbraw/zinc/07/25/33/527072533.db2.gz LOHNUGYHQKLTJZ-UHFFFAOYSA-N 0 0 447.007 2.558 50 0 IFAARN O=C(CSc1nnc(-c2ccco2)o1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012780862 527081192 /nfs/dbraw/zinc/08/11/92/527081192.db2.gz JIDJCWNFOACYBP-UHFFFAOYSA-N 0 0 434.499 2.845 50 0 IFAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000012908730 527089073 /nfs/dbraw/zinc/08/90/73/527089073.db2.gz ZTTSROYYYOVKAG-AWEZNQCLSA-N 0 0 445.570 2.557 50 0 IFAARN Cc1nc2c3cc4c(nc3sc2c(=O)n1CCCN1CCOCC1)CC(C)(C)OC4 ZINC000020646859 527114232 /nfs/dbraw/zinc/11/42/32/527114232.db2.gz HQRHMQUEAMYJNL-UHFFFAOYSA-N 0 0 428.558 2.888 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCCc1cn2ccccc2n1 ZINC000012306125 527153320 /nfs/dbraw/zinc/15/33/20/527153320.db2.gz UJWHZXNXTGIZNU-QHCPKHFHSA-N 0 0 441.535 2.537 50 0 IFAARN Cc1nc2ccccn2c(=O)c1Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1C ZINC000015859276 527175951 /nfs/dbraw/zinc/17/59/51/527175951.db2.gz CYAUBWGHIWCUGH-UHFFFAOYSA-N 0 0 438.488 2.592 50 0 IFAARN O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1 ZINC000020577026 527200318 /nfs/dbraw/zinc/20/03/18/527200318.db2.gz UTBHFUAOLWBKDS-UHFFFAOYSA-N 0 0 449.529 2.909 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016975569 527280177 /nfs/dbraw/zinc/28/01/77/527280177.db2.gz FKZDNNDDMCSGNX-UHFFFAOYSA-N 0 0 443.447 2.773 50 0 IFAARN Cc1ncc(CO)c2cc(C(=O)NC3=C[C@H]4OCO[C@@H]4C=C3)/c(=N/c3ccc(F)cc3)oc12 ZINC000020617612 527282203 /nfs/dbraw/zinc/28/22/03/527282203.db2.gz RINCQWLNQLKGFZ-GQWYFFOKSA-N 0 0 449.438 2.925 50 0 IFAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000012853463 527282888 /nfs/dbraw/zinc/28/28/88/527282888.db2.gz XSRUJGVLLVEENA-NSHDSACASA-N 0 0 430.258 2.772 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000017179082 527284076 /nfs/dbraw/zinc/28/40/76/527284076.db2.gz GZAXYQQPZXNVJA-UHFFFAOYSA-N 0 0 436.468 2.576 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000012599565 527284938 /nfs/dbraw/zinc/28/49/38/527284938.db2.gz HYIVNGJNAIXDHM-QGZVFWFLSA-N 0 0 432.498 2.558 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)cc1 ZINC000011902192 527311043 /nfs/dbraw/zinc/31/10/43/527311043.db2.gz BVOMDQRJRXFTLH-UHFFFAOYSA-N 0 0 444.513 2.822 50 0 IFAARN O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012596989 527352180 /nfs/dbraw/zinc/35/21/80/527352180.db2.gz OAMDVMBYXNWASP-UHFFFAOYSA-N 0 0 432.402 2.891 50 0 IFAARN O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)nc31)CCC2)NCCCc1ccccc1 ZINC000021807765 527357478 /nfs/dbraw/zinc/35/74/78/527357478.db2.gz GVKVRZDQNBEXIG-UHFFFAOYSA-N 0 0 427.508 2.796 50 0 IFAARN O=C(Cn1c2ccccc2c2ncn(Cc3nc(C4CC4)no3)c(=O)c21)NCc1ccco1 ZINC000033281028 527360249 /nfs/dbraw/zinc/36/02/49/527360249.db2.gz FNIVPRNQJPTTGP-UHFFFAOYSA-N 0 0 444.451 2.569 50 0 IFAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1c(Cl)cccc1Cl ZINC000012880631 527369902 /nfs/dbraw/zinc/36/99/02/527369902.db2.gz NFXYJMXZECYMBB-UHFFFAOYSA-N 0 0 430.313 2.578 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1)c1ccco1 ZINC000012375896 527371346 /nfs/dbraw/zinc/37/13/46/527371346.db2.gz CVXYYMASPFBFGP-UHFFFAOYSA-N 0 0 439.493 2.679 50 0 IFAARN O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)s1 ZINC000033024726 527400048 /nfs/dbraw/zinc/40/00/48/527400048.db2.gz WKCZJIMYIRSTLN-AWEZNQCLSA-N 0 0 439.497 2.552 50 0 IFAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccc(I)cc1 ZINC000012893998 527412269 /nfs/dbraw/zinc/41/22/69/527412269.db2.gz QKLDEMVYFJSCQJ-UHFFFAOYSA-N 0 0 439.184 2.886 50 0 IFAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1cccc(I)c1 ZINC000012821103 527412330 /nfs/dbraw/zinc/41/23/30/527412330.db2.gz XEVOIFVMEPLHLB-UHFFFAOYSA-N 0 0 439.184 2.886 50 0 IFAARN O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CCN(c2ccccc2F)CC1 ZINC000012632097 527428644 /nfs/dbraw/zinc/42/86/44/527428644.db2.gz HGBAHPBHOAFZSY-UHFFFAOYSA-N 0 0 445.296 2.591 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 ZINC000022202418 527450990 /nfs/dbraw/zinc/45/09/90/527450990.db2.gz UMCAIUBKJITIFV-QHCPKHFHSA-N 0 0 446.507 2.605 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1 ZINC000012628547 527453706 /nfs/dbraw/zinc/45/37/06/527453706.db2.gz IGOAERVYUKGJSM-FQEVSTJZSA-N 0 0 442.516 2.863 50 0 IFAARN O=c1[nH]nc(SCc2cc(=O)oc3cc(O)ccc23)n1-c1ccc2c(c1)OCCO2 ZINC000012340591 527480592 /nfs/dbraw/zinc/48/05/92/527480592.db2.gz GDRZURKHPPEYDJ-UHFFFAOYSA-N 0 0 425.422 2.848 50 0 IFAARN O=c1cc(CSCc2cc(=O)n3cc(Br)ccc3n2)nc2sccn21 ZINC000012529482 527481499 /nfs/dbraw/zinc/48/14/99/527481499.db2.gz OQLWOVZZEHLUDP-UHFFFAOYSA-N 0 0 435.328 2.960 50 0 IFAARN O=c1ccc(-c2ccc(Cl)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)n[nH]1 ZINC000021152005 527483988 /nfs/dbraw/zinc/48/39/88/527483988.db2.gz XTOWNIMQSZSWBQ-UHFFFAOYSA-N 0 0 430.917 2.601 50 0 IFAARN O=C(Nc1ncccc1O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000012752574 527522188 /nfs/dbraw/zinc/52/21/88/527522188.db2.gz NUHGTQCODTURTC-GFCCVEGCSA-N 0 0 440.319 2.589 50 0 IFAARN O=C(Nc1nnc([C@@H]2CCCO2)s1)[C@@H](Cc1ccccc1)NC(=O)N1CCSCC1 ZINC000071328889 527537923 /nfs/dbraw/zinc/53/79/23/527537923.db2.gz HRBKTQUEPKYOCC-CVEARBPZSA-N 0 0 447.586 2.698 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CN(C)S(=O)(=O)c1cccs1 ZINC000023730844 527540536 /nfs/dbraw/zinc/54/05/36/527540536.db2.gz JDMRGOIWPGDKFZ-UHFFFAOYSA-N 0 0 432.571 2.830 50 0 IFAARN Nn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000020522269 527582934 /nfs/dbraw/zinc/58/29/34/527582934.db2.gz KWOZRIXMSHCJGI-UHFFFAOYSA-N 0 0 436.541 2.635 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000035426166 527590281 /nfs/dbraw/zinc/59/02/81/527590281.db2.gz WZBYKZCZYIYLGK-UHFFFAOYSA-N 0 0 443.573 2.638 50 0 IFAARN O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cnccn3)C[C@@H]12 ZINC000035871632 527596087 /nfs/dbraw/zinc/59/60/87/527596087.db2.gz RAYHVZXBLNAFET-HKUYNNGSSA-N 0 0 431.462 2.889 50 0 IFAARN O=C(NCCCN(Cc1ccccc1)C(=O)c1cccnc1)c1nc2ccccc2c(=O)[nH]1 ZINC000022471912 527657520 /nfs/dbraw/zinc/65/75/20/527657520.db2.gz CZHAEMVGZOSCFS-UHFFFAOYSA-N 0 0 441.491 2.781 50 0 IFAARN O=C(NCCCN1CCOCC1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020565044 527671989 /nfs/dbraw/zinc/67/19/89/527671989.db2.gz KCWARGAVIIDZAT-UHFFFAOYSA-N 0 0 441.557 2.678 50 0 IFAARN CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2c1=O ZINC000008592112 535147912 /nfs/dbraw/zinc/14/79/12/535147912.db2.gz ZDVSPAXLRKCXOH-UHFFFAOYSA-N 0 0 438.503 2.982 50 0 IFAARN CCN1C(=O)N(CC)C(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O ZINC000002196030 535435820 /nfs/dbraw/zinc/43/58/20/535435820.db2.gz YRGCFURCLPFIRD-OAQYLSRUSA-N 0 0 432.524 2.755 50 0 IFAARN CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Br)cc2)n(C)c1=O ZINC000009519040 535579565 /nfs/dbraw/zinc/57/95/65/535579565.db2.gz ZUDUCDZLFDOZNH-LBPRGKRZSA-N 0 0 432.322 2.857 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)s1 ZINC000009942498 535632195 /nfs/dbraw/zinc/63/21/95/535632195.db2.gz MPFYPLDZUAPMEA-UHFFFAOYSA-N 0 0 436.603 2.810 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cn1C ZINC000009252071 535683665 /nfs/dbraw/zinc/68/36/65/535683665.db2.gz YMYYGIZVICZRJT-UHFFFAOYSA-N 0 0 425.938 2.675 50 0 IFAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)c2ccccc2O1 ZINC000009406005 536116891 /nfs/dbraw/zinc/11/68/91/536116891.db2.gz PCYNMUJEOJKELZ-IBGZPJMESA-N 0 0 443.544 2.862 50 0 IFAARN CCc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000003037353 536184214 /nfs/dbraw/zinc/18/42/14/536184214.db2.gz ZYNMAHIVEDSWKT-XMMPIXPASA-N 0 0 437.496 2.812 50 0 IFAARN COc1ccc(Cc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)cc1 ZINC000009264786 536535577 /nfs/dbraw/zinc/53/55/77/536535577.db2.gz HSLXJCYSVJFKOL-UHFFFAOYSA-N 0 0 437.569 2.855 50 0 IFAARN COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1 ZINC000004039347 536676248 /nfs/dbraw/zinc/67/62/48/536676248.db2.gz ZWVFLZNSCANANB-UHFFFAOYSA-N 0 0 435.459 2.635 50 0 IFAARN COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000003456239 536743438 /nfs/dbraw/zinc/74/34/38/536743438.db2.gz IPBRTFURLUBHIV-SFHVURJKSA-N 0 0 430.526 2.746 50 0 IFAARN COC(=O)c1ccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCOCC3)n2)cc1 ZINC000009708848 536791665 /nfs/dbraw/zinc/79/16/65/536791665.db2.gz CKHHCIFKYSJRFE-UHFFFAOYSA-N 0 0 436.472 2.991 50 0 IFAARN COc1cccc2[nH]c(C(=O)NCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000013691707 536924697 /nfs/dbraw/zinc/92/46/97/536924697.db2.gz VPKNIGBBCKCVFQ-UHFFFAOYSA-N 0 0 426.904 2.909 50 0 IFAARN COc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000010542591 536969924 /nfs/dbraw/zinc/96/99/24/536969924.db2.gz LZSWKTYQOFCBTD-KRWDZBQOSA-N 0 0 439.537 2.836 50 0 IFAARN CCOc1cc(CNc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)NC(C)(C)C ZINC000000624132 555511715 /nfs/dbraw/zinc/51/17/15/555511715.db2.gz MCAYBZZIXIWQHT-UHFFFAOYSA-N 0 0 435.546 2.638 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccccc1 ZINC000000631302 555514780 /nfs/dbraw/zinc/51/47/80/555514780.db2.gz KCOZDSHLHLSRLO-LUDQZLGDSA-N 0 0 434.517 2.807 50 0 IFAARN Cn1c2nc(N3CCCCCC3)n(CCSc3nc4ccccc4o3)c2c(=O)[nH]c1=O ZINC000000634594 555516410 /nfs/dbraw/zinc/51/64/10/555516410.db2.gz BFYHJPYKRFSEEZ-UHFFFAOYSA-N 0 0 440.529 2.737 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 ZINC000000652617 555523508 /nfs/dbraw/zinc/52/35/08/555523508.db2.gz OOPQTLABUFYAPU-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000000653001 555523766 /nfs/dbraw/zinc/52/37/66/555523766.db2.gz BGJQGSFTJYUJRG-UHFFFAOYSA-N 0 0 440.905 2.930 50 0 IFAARN Cc1c(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000000656177 555525073 /nfs/dbraw/zinc/52/50/73/555525073.db2.gz OQPWGCQLMFPULR-UHFFFAOYSA-N 0 0 448.932 2.543 50 0 IFAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2NC(=O)c2ccccc2)cc1 ZINC000000662346 555527440 /nfs/dbraw/zinc/52/74/40/555527440.db2.gz YJSZHJSOYUSEAM-GOSISDBHSA-N 0 0 440.525 2.577 50 0 IFAARN COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)c1 ZINC000000666441 555528594 /nfs/dbraw/zinc/52/85/94/555528594.db2.gz RQUFUBVNHMYLQZ-HXUWFJFHSA-N 0 0 426.425 2.804 50 0 IFAARN CCOC(=O)COc1c(I)cc(/C=C2\N=C(C)OC2=O)cc1OC ZINC000000679180 555536569 /nfs/dbraw/zinc/53/65/69/555536569.db2.gz HGNAVGQVHZZQSX-SDQBBNPISA-N 0 0 445.209 2.558 50 0 IFAARN CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O ZINC000000682119 555538041 /nfs/dbraw/zinc/53/80/41/555538041.db2.gz ZDMRRPMWCXDNJE-UHFFFAOYSA-N 0 0 427.482 2.858 50 0 IFAARN O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O ZINC000000712391 555547430 /nfs/dbraw/zinc/54/74/30/555547430.db2.gz RDJDAEZAHILTAY-UHFFFAOYSA-N 0 0 437.367 2.662 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)cc1)c1ccccc1 ZINC000000802366 555559422 /nfs/dbraw/zinc/55/94/22/555559422.db2.gz GUUSOCKGMLEOAC-KRWDZBQOSA-N 0 0 425.510 2.816 50 0 IFAARN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)N4CCCC4)cc3)C2)cc1 ZINC000000802459 555559430 /nfs/dbraw/zinc/55/94/30/555559430.db2.gz HNQVBAZGAITUDJ-FQEVSTJZSA-N 0 0 435.524 2.666 50 0 IFAARN COc1ccc(OC)c(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)c1 ZINC000000829266 555565958 /nfs/dbraw/zinc/56/59/58/555565958.db2.gz LALNSEDAAQMSGX-UHFFFAOYSA-N 0 0 430.482 2.809 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1cccs1 ZINC000009309868 555568989 /nfs/dbraw/zinc/56/89/89/555568989.db2.gz SUIMLJWQUUJXNR-OTMARIDSSA-N 0 0 443.550 2.519 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccccc1 ZINC000000861857 555572544 /nfs/dbraw/zinc/57/25/44/555572544.db2.gz OSQZKPQOLBSKTH-JAORQVBISA-N 0 0 448.500 2.527 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2)cc1 ZINC000000916127 555583514 /nfs/dbraw/zinc/58/35/14/555583514.db2.gz BLPOPYSGKSKLFE-UHFFFAOYSA-N 0 0 425.510 2.992 50 0 IFAARN COc1ccc(CCNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC ZINC000000957831 555590554 /nfs/dbraw/zinc/59/05/54/555590554.db2.gz YCDKTLWNAPNHDO-UHFFFAOYSA-N 0 0 427.526 2.713 50 0 IFAARN COC(=O)c1ccc(C)c(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 ZINC000000980269 555593162 /nfs/dbraw/zinc/59/31/62/555593162.db2.gz QNSPIJCOXXMPCY-UHFFFAOYSA-N 0 0 440.905 2.848 50 0 IFAARN CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000000982576 555593664 /nfs/dbraw/zinc/59/36/64/555593664.db2.gz TYFZBWWXBWVISK-UHFFFAOYSA-N 0 0 447.557 2.876 50 0 IFAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000000982800 555593864 /nfs/dbraw/zinc/59/38/64/555593864.db2.gz UNGMSEROKWRNTH-MRXNPFEDSA-N 0 0 447.557 2.937 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 ZINC000001008206 555601448 /nfs/dbraw/zinc/60/14/48/555601448.db2.gz FEKKDGDVBPPQPK-WQRHYEAKSA-N 0 0 436.493 2.860 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000001031166 555606028 /nfs/dbraw/zinc/60/60/28/555606028.db2.gz DGLHPPJCZZGWPL-UHFFFAOYSA-N 0 0 430.404 2.858 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)C1 ZINC000001033489 555606815 /nfs/dbraw/zinc/60/68/15/555606815.db2.gz RWTRHJFUUUCJIM-CQSZACIVSA-N 0 0 443.568 2.545 50 0 IFAARN O=c1c(F)cn(C[C@@H]2CC(c3ccccc3)=NO2)c(=O)n1C[C@@H]1CC(c2ccccc2)=NO1 ZINC000001034550 555607337 /nfs/dbraw/zinc/60/73/37/555607337.db2.gz KLNWIUUMHFHJPC-OALUTQOASA-N 0 0 448.454 2.536 50 0 IFAARN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000001051188 555612962 /nfs/dbraw/zinc/61/29/62/555612962.db2.gz COBDRXWZADHTIZ-UHFFFAOYSA-N 0 0 445.541 2.722 50 0 IFAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(NC(=O)c2ccc(Cl)cc2)C1=S ZINC000001077698 555625030 /nfs/dbraw/zinc/62/50/30/555625030.db2.gz GXVGIPGYMOLXTQ-MRXNPFEDSA-N 0 0 430.917 2.831 50 0 IFAARN O=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)Nc1cccc(F)c1 ZINC000046153492 555626632 /nfs/dbraw/zinc/62/66/32/555626632.db2.gz XTZCILLRQXDVQM-UHFFFAOYSA-N 0 0 449.280 2.903 50 0 IFAARN O=C(Cn1nnc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)n1)N1CCOCC1 ZINC000001111801 555631936 /nfs/dbraw/zinc/63/19/36/555631936.db2.gz JIJMGIOLNPTQLS-UHFFFAOYSA-N 0 0 447.417 2.797 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)Cc2ccccc2)cc1C ZINC000001116793 555634913 /nfs/dbraw/zinc/63/49/13/555634913.db2.gz MDUUMTQPIFTCQI-UHFFFAOYSA-N 0 0 439.537 2.906 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)NCCN1C(=S)Nc1ccccc1 ZINC000001119298 555636363 /nfs/dbraw/zinc/63/63/63/555636363.db2.gz ICIVUDRFDPRSCL-INIZCTEOSA-N 0 0 432.933 2.875 50 0 IFAARN COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(OC)cc3)n2C)c1 ZINC000001122761 555638760 /nfs/dbraw/zinc/63/87/60/555638760.db2.gz MAMYMLAFRSQENJ-UHFFFAOYSA-N 0 0 442.497 2.920 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)cc1 ZINC000001146808 555653853 /nfs/dbraw/zinc/65/38/53/555653853.db2.gz VZTUWEIJDFZTBR-YVLHZVERSA-N 0 0 425.466 2.534 50 0 IFAARN O=C(N[C@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000001170462 555666178 /nfs/dbraw/zinc/66/61/78/555666178.db2.gz WAMYHPVYOFPIMH-GFCCVEGCSA-N 0 0 431.172 2.973 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000001234748 555686963 /nfs/dbraw/zinc/68/69/63/555686963.db2.gz WFHDTZUJAOUMAI-UHFFFAOYSA-N 0 0 426.425 2.505 50 0 IFAARN CC[C@@]1(C)Cc2c(sc3nnn(CC(=O)Nc4ccc(OC)cc4OC)c(=O)c32)CO1 ZINC000001428211 555696167 /nfs/dbraw/zinc/69/61/67/555696167.db2.gz ZAGGYYNJGRAKLL-NRFANRHFSA-N 0 0 444.513 2.750 50 0 IFAARN CC[C@]1(C)Cc2c(sc3nnn(CC(=O)Nc4ccc(OC)cc4OC)c(=O)c32)CO1 ZINC000001428212 555696282 /nfs/dbraw/zinc/69/62/82/555696282.db2.gz ZAGGYYNJGRAKLL-OAQYLSRUSA-N 0 0 444.513 2.750 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2ccccc2s1 ZINC000001471287 555701121 /nfs/dbraw/zinc/70/11/21/555701121.db2.gz HSXVILJLNBVNRN-UHFFFAOYSA-N 0 0 433.511 2.578 50 0 IFAARN CC(=O)N1CCC(N(C(=O)c2cccs2)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000001501639 555702082 /nfs/dbraw/zinc/70/20/82/555702082.db2.gz JVFRMDXFQKRUBF-UHFFFAOYSA-N 0 0 447.582 2.728 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)CSc1nnc2ccccn21 ZINC000001746531 555712134 /nfs/dbraw/zinc/71/21/34/555712134.db2.gz VKYXRRAERBBNMI-UHFFFAOYSA-N 0 0 434.499 2.793 50 0 IFAARN CCN1C(=O)N[C@H](c2ccccc2I)C(C(=O)OCCOC)=C1C ZINC000002062507 555732481 /nfs/dbraw/zinc/73/24/81/555732481.db2.gz WIGZMOMYISHOEW-OAHLLOKOSA-N 0 0 444.269 2.841 50 0 IFAARN O=C(CNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000002078937 555736631 /nfs/dbraw/zinc/73/66/31/555736631.db2.gz YCWAJOLDLKOXGZ-UHFFFAOYSA-N 0 0 439.489 2.970 50 0 IFAARN Cc1c(C(=O)Nc2ccccc2F)nnn1-c1cccc2c1CCN(c1nccc(N)n1)C2 ZINC000071890374 555744164 /nfs/dbraw/zinc/74/41/64/555744164.db2.gz WDNKERRWSQHEQQ-UHFFFAOYSA-N 0 0 444.474 2.902 50 0 IFAARN Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2sc3c(c21)CCCC3 ZINC000002206979 555757730 /nfs/dbraw/zinc/75/77/30/555757730.db2.gz USDJCAVECLYMDM-UHFFFAOYSA-N 0 0 449.583 2.531 50 0 IFAARN CC[C@H](CO)NS(=O)(=O)c1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1C ZINC000002381897 555774380 /nfs/dbraw/zinc/77/43/80/555774380.db2.gz CGARWUFWLQVPFG-MRXNPFEDSA-N 0 0 425.514 2.611 50 0 IFAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ncc2c(n1)C[C@H](c1ccco1)CC2=O ZINC000002405556 555776437 /nfs/dbraw/zinc/77/64/37/555776437.db2.gz FSIRURUDQQUJEB-ZDUSSCGKSA-N 0 0 447.480 2.689 50 0 aggregator IFAARN O=C(COc1ccc(Cl)cc1)N1CCO[C@H](CN2CCN(c3ccccc3)CC2)C1 ZINC000034667059 555791307 /nfs/dbraw/zinc/79/13/07/555791307.db2.gz CXVJDXBOKUUQRB-JOCHJYFZSA-N 0 0 429.948 2.768 50 0 IFAARN CN1CCN(c2nc(N3CCCC3)nc3c2CN(C(=O)c2ccccc2Cl)CC3)CC1 ZINC000034676925 555794970 /nfs/dbraw/zinc/79/49/70/555794970.db2.gz OKRMWKXJECHAKT-UHFFFAOYSA-N 0 0 440.979 2.681 50 0 IFAARN Cc1ccc(F)c(NC(=O)c2coc(CN3CCN(C[C@@H](O)COC(C)(C)C)CC3)n2)c1 ZINC000034677339 555795624 /nfs/dbraw/zinc/79/56/24/555795624.db2.gz ZSBQEWIKRSHMAP-QGZVFWFLSA-N 0 0 448.539 2.668 50 0 IFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1cccs1 ZINC000002672486 555797560 /nfs/dbraw/zinc/79/75/60/555797560.db2.gz SFBGHANYRHUWLH-JBXOJTMHSA-N 0 0 446.575 2.548 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000002680239 555798206 /nfs/dbraw/zinc/79/82/06/555798206.db2.gz YTMISXANKADAHJ-UHFFFAOYSA-N 0 0 434.568 2.948 50 0 IFAARN CCOC(=O)Cn1cnc2c1c(=O)n(C1CCCCC1)c(=O)n2-c1ccc(F)c(F)c1 ZINC000034693755 555808284 /nfs/dbraw/zinc/80/82/84/555808284.db2.gz XAHZCXHNMJBXMP-UHFFFAOYSA-N 0 0 432.427 2.695 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2ccccc2Cl)n(-c2ccccc2OC)c1=O ZINC000034694062 555809205 /nfs/dbraw/zinc/80/92/05/555809205.db2.gz WOUFGLFPOBLWDQ-UHFFFAOYSA-N 0 0 440.887 2.706 50 0 IFAARN COCc1nnc2c3ccccc3nc(N3CCCN(C(=O)c4cccc(F)c4)CC3)n12 ZINC000034706830 555821817 /nfs/dbraw/zinc/82/18/17/555821817.db2.gz YFLBXVQYTXDXIA-UHFFFAOYSA-N 0 0 434.475 2.916 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CCCC2=O ZINC000002809820 555826991 /nfs/dbraw/zinc/82/69/91/555826991.db2.gz WQHLPOKIERODEL-GOSISDBHSA-N 0 0 442.537 2.689 50 0 IFAARN COCCNC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002812702 555827915 /nfs/dbraw/zinc/82/79/15/555827915.db2.gz DZHBKCKHXFHTSJ-UHFFFAOYSA-N 0 0 431.341 2.947 50 0 IFAARN Cc1ccc2c(c1)n(S(=O)(=O)c1cccs1)c(=O)n2S(=O)(=O)c1cccs1 ZINC000002846917 555838018 /nfs/dbraw/zinc/83/80/18/555838018.db2.gz NYENHHDIHNVKEQ-UHFFFAOYSA-N 0 0 440.549 2.708 50 0 IFAARN COC(=O)c1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 ZINC000002856090 555841655 /nfs/dbraw/zinc/84/16/55/555841655.db2.gz JWGPPGVOLGCQQH-NSHDSACASA-N 0 0 441.303 2.541 50 0 IFAARN Cc1ccc(N2C(=O)N[C@](NS(=O)(=O)c3ccccc3)(C(F)(F)F)C2=O)cc1C ZINC000002863456 555846014 /nfs/dbraw/zinc/84/60/14/555846014.db2.gz WWZCWZZPUWPPRN-QGZVFWFLSA-N 0 0 427.404 2.801 50 0 IFAARN Cc1ccc(N2C(=O)N[C@@](NS(=O)(=O)c3ccccc3)(C(F)(F)F)C2=O)cc1C ZINC000002863457 555846124 /nfs/dbraw/zinc/84/61/24/555846124.db2.gz WWZCWZZPUWPPRN-KRWDZBQOSA-N 0 0 427.404 2.801 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1 ZINC000002868687 555848698 /nfs/dbraw/zinc/84/86/98/555848698.db2.gz WNQZTHMOBPAENN-UHFFFAOYSA-N 0 0 429.477 2.624 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)c1 ZINC000002868733 555848723 /nfs/dbraw/zinc/84/87/23/555848723.db2.gz LDMJZRMHPXQCJT-UHFFFAOYSA-N 0 0 429.477 2.875 50 0 IFAARN Cc1ccccc1CSCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000002875773 555852245 /nfs/dbraw/zinc/85/22/45/555852245.db2.gz WJEIKNORJGFKIL-UHFFFAOYSA-N 0 0 436.555 2.539 50 0 IFAARN COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C ZINC000002875740 555852319 /nfs/dbraw/zinc/85/23/19/555852319.db2.gz VTKLJXCBXOTXLU-UHFFFAOYSA-N 0 0 432.498 2.584 50 0 IFAARN CC[C@H](Sc1nnc(N)s1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)OC ZINC000002876785 555852609 /nfs/dbraw/zinc/85/26/09/555852609.db2.gz LJAWLFODFCTBQI-STQMWFEESA-N 0 0 426.589 2.582 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000002879348 555854310 /nfs/dbraw/zinc/85/43/10/555854310.db2.gz FSMXRIVWQXSNTL-GOSISDBHSA-N 0 0 436.917 2.523 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000010543708 555855608 /nfs/dbraw/zinc/85/56/08/555855608.db2.gz HXPMWYZRMNSMMO-UHFFFAOYSA-N 0 0 435.354 2.995 50 0 IFAARN CN(c1cccc(NC(=O)c2ccc(I)cc2)c1)S(C)(=O)=O ZINC000002882798 555856326 /nfs/dbraw/zinc/85/63/26/555856326.db2.gz XCHNCJSDTRDWTO-UHFFFAOYSA-N 0 0 430.267 2.939 50 0 IFAARN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000002964764 555868316 /nfs/dbraw/zinc/86/83/16/555868316.db2.gz XUPUBYXKXUFSKR-UHFFFAOYSA-N 0 0 439.331 2.503 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc2)cc1 ZINC000002979014 555871160 /nfs/dbraw/zinc/87/11/60/555871160.db2.gz YVTOLOHBIMUPGM-UHFFFAOYSA-N 0 0 439.493 2.628 50 0 IFAARN COc1ccc(CCNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 ZINC000002979498 555871616 /nfs/dbraw/zinc/87/16/16/555871616.db2.gz DLODGUNHWLCJGH-UHFFFAOYSA-N 0 0 441.347 2.583 50 0 IFAARN COc1cccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(Cc2ccncc2)CC3)c1 ZINC000034755571 555900509 /nfs/dbraw/zinc/90/05/09/555900509.db2.gz MBUYFHUEBLVHCT-UHFFFAOYSA-N 0 0 446.555 2.983 50 0 IFAARN CCN1C2=C(C(=O)N(CC(=O)Nc3ccc(OC)cc3)C2)[C@@H](c2ccsc2)NC1=O ZINC000034791723 555916239 /nfs/dbraw/zinc/91/62/39/555916239.db2.gz ODYYYSGGCOATGG-LJQANCHMSA-N 0 0 426.498 2.578 50 0 IFAARN CN1C2=C(C(=O)N(CC(=O)NCCc3cccs3)C2)[C@H](c2ccccc2Cl)NC1=O ZINC000034792882 555916645 /nfs/dbraw/zinc/91/66/45/555916645.db2.gz JHFNRFVQNWBWEA-IBGZPJMESA-N 0 0 444.944 2.553 50 0 IFAARN COc1ccc(OC)c(CC(=O)N2CCc3n[nH]c(C(=O)NCc4cccc(C)c4)c3C2)c1 ZINC000034797360 555918754 /nfs/dbraw/zinc/91/87/54/555918754.db2.gz ULJRYCXEYRXVGF-UHFFFAOYSA-N 0 0 448.523 2.793 50 0 IFAARN COCCN1CCN(C(=O)c2nc(CCc3ccccc3)n(-c3cccc(C)c3)n2)CC1 ZINC000034911786 555923652 /nfs/dbraw/zinc/92/36/52/555923652.db2.gz KDHXGVPFOPRZDS-UHFFFAOYSA-N 0 0 433.556 2.765 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000034857639 555924562 /nfs/dbraw/zinc/92/45/62/555924562.db2.gz HCEZSVRTQKQEOZ-UHFFFAOYSA-N 0 0 427.570 2.819 50 0 IFAARN CCN(C(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccccc1 ZINC000034867978 555925621 /nfs/dbraw/zinc/92/56/21/555925621.db2.gz HLXVCLGTBGSJTO-KRWDZBQOSA-N 0 0 448.614 2.551 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000034888585 555926992 /nfs/dbraw/zinc/92/69/92/555926992.db2.gz RDBHZYJRSMBIAM-UHFFFAOYSA-N 0 0 441.525 2.946 50 0 IFAARN COc1ccc(CCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1OC ZINC000003612725 555941138 /nfs/dbraw/zinc/94/11/38/555941138.db2.gz LLGRLRLPHKDOQM-UHFFFAOYSA-N 0 0 444.912 2.621 50 0 IFAARN Cc1ccc(S(=O)(=O)NC[C@]23C=C[C@H](O2)C(Cl)(Cl)C(=O)C3(Cl)Cl)cc1 ZINC000003851521 555949043 /nfs/dbraw/zinc/94/90/43/555949043.db2.gz WOECHQWDNJKQPF-AAEUAGOBSA-N 0 0 445.151 2.898 50 0 IFAARN C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004155990 555969064 /nfs/dbraw/zinc/96/90/64/555969064.db2.gz XSNLHIWRTQZZSU-OBWXAGNPSA-N 0 0 434.286 2.595 50 0 IFAARN COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)c1 ZINC000004436157 555994937 /nfs/dbraw/zinc/99/49/37/555994937.db2.gz JMHKDCTWTYLZNH-CYBMUJFWSA-N 0 0 432.527 2.739 50 0 IFAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C ZINC000004536456 556000193 /nfs/dbraw/zinc/00/01/93/556000193.db2.gz SWPXBDJUGLEKES-VQTJNVASSA-N 0 0 428.485 2.544 50 0 biogenic,in-vitro IFAARN CCn1c2ccccc2c2nnc(SCC(=O)OCC(=O)NCc3ccco3)nc21 ZINC000006135672 556076631 /nfs/dbraw/zinc/07/66/31/556076631.db2.gz QSVKYEYIHHQKMW-UHFFFAOYSA-N 0 0 425.470 2.544 50 0 IFAARN CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 ZINC000006149656 556078129 /nfs/dbraw/zinc/07/81/29/556078129.db2.gz SBLIAQCSNVNLJH-OAHLLOKOSA-N 0 0 432.546 2.536 50 0 IFAARN CCOC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@H]1c1ccccc1Cl ZINC000006544908 556093803 /nfs/dbraw/zinc/09/38/03/556093803.db2.gz MEEYKWWKAAHSRV-GXFFZTMASA-N 0 0 436.917 2.909 50 0 IFAARN COc1ccc(C(=O)N2CCCN(C(=O)c3ccc(OC)cc3OC)CC2)c(OC)c1 ZINC000002757126 556137547 /nfs/dbraw/zinc/13/75/47/556137547.db2.gz OSWKQFZOXATNFG-UHFFFAOYSA-N 0 0 428.485 2.709 50 0 IFAARN Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N(C)Cc3cnn(C)c3C)c2n1 ZINC000002781721 556138066 /nfs/dbraw/zinc/13/80/66/556138066.db2.gz XXTVRTFNHVUORB-UHFFFAOYSA-N 0 0 446.437 2.771 50 0 IFAARN COCCCN1C(=O)/C(=C\c2cnn(C)c2)N=C1SCC(=O)Nc1ccc(C)cc1C ZINC000002786043 556138547 /nfs/dbraw/zinc/13/85/47/556138547.db2.gz UREKAHSPIACBQR-YBFXNURJSA-N 0 0 441.557 2.984 50 0 IFAARN CNC(=O)c1nn(C)cc1NC(=O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1 ZINC000002799011 556142122 /nfs/dbraw/zinc/14/21/22/556142122.db2.gz JINXSZIRJVEBMW-UHFFFAOYSA-N 0 0 444.316 2.900 50 0 IFAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Cl)C1 ZINC000002808162 556146336 /nfs/dbraw/zinc/14/63/36/556146336.db2.gz NPVPEYMIIDHZDK-LLVKDONJSA-N 0 0 449.335 2.987 50 0 IFAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)C1 ZINC000002807906 556146393 /nfs/dbraw/zinc/14/63/93/556146393.db2.gz DXIYZNNIVGTCPF-CQSZACIVSA-N 0 0 430.452 2.560 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1)NCc1ccco1 ZINC000002971498 556152096 /nfs/dbraw/zinc/15/20/96/556152096.db2.gz WXWKDBADZKKBDO-UHFFFAOYSA-N 0 0 448.504 2.711 50 0 IFAARN Cc1ccc(C(=O)[C@@H](NC(=O)c2cccs2)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002995514 556156205 /nfs/dbraw/zinc/15/62/05/556156205.db2.gz PMEUTMTXQIVWDZ-LJQANCHMSA-N 0 0 429.523 2.755 50 0 IFAARN COc1ccc(OCC(=O)NCCCCCCNC(=O)COc2ccc(OC)cc2)cc1 ZINC000008400533 556166232 /nfs/dbraw/zinc/16/62/32/556166232.db2.gz BNDQQOMJDAUUBW-UHFFFAOYSA-N 0 0 444.528 2.954 50 0 IFAARN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O ZINC000008439142 556175251 /nfs/dbraw/zinc/17/52/51/556175251.db2.gz JMPUXIXCJJPWMS-WOJGMQOQSA-N 0 0 436.493 2.860 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)cc1 ZINC000008442029 556177101 /nfs/dbraw/zinc/17/71/01/556177101.db2.gz DLZAUXADFWDGRL-WMLDXEAASA-N 0 0 431.562 2.541 50 0 IFAARN Cc1cccc(N(C)C(=O)Cn2c3ccc(S(=O)(=O)N4CCCCC4)cc3oc2=O)c1 ZINC000008604809 556191644 /nfs/dbraw/zinc/19/16/44/556191644.db2.gz AHDFLLYSNCUGOU-UHFFFAOYSA-N 0 0 443.525 2.741 50 0 IFAARN CCCCCNc1nc2c(c(=O)n(Cc3cccc(Br)c3)c(=O)n2C)n1C ZINC000008636874 556194804 /nfs/dbraw/zinc/19/48/04/556194804.db2.gz OWHWNUJBGHNDLO-UHFFFAOYSA-N 0 0 434.338 2.847 50 0 IFAARN C[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000008746708 556210088 /nfs/dbraw/zinc/21/00/88/556210088.db2.gz BAZIUQNZHNDTOO-OAHLLOKOSA-N 0 0 444.509 2.609 50 0 IFAARN Cn1c2nc(NCCc3ccc(Cl)cc3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000008774860 556213868 /nfs/dbraw/zinc/21/38/68/556213868.db2.gz LVHHQQFXUYEKHR-UHFFFAOYSA-N 0 0 441.894 2.929 50 0 IFAARN CC(=O)OCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000008926164 556234087 /nfs/dbraw/zinc/23/40/87/556234087.db2.gz JAOMWDYJXAYQIC-QGOAFFKASA-N 0 0 431.286 2.899 50 0 IFAARN Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1C ZINC000008927522 556234676 /nfs/dbraw/zinc/23/46/76/556234676.db2.gz AIVVVFYTYVBZBV-QGZVFWFLSA-N 0 0 428.872 2.876 50 0 IFAARN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000008927426 556234731 /nfs/dbraw/zinc/23/47/31/556234731.db2.gz HRDPIVUBJLTKPP-CYBMUJFWSA-N 0 0 435.263 2.913 50 0 IFAARN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)c1ccc(Cl)cc1 ZINC000008927440 556234784 /nfs/dbraw/zinc/23/47/84/556234784.db2.gz JNHPKHPSBNXSAZ-CYBMUJFWSA-N 0 0 435.263 2.913 50 0 IFAARN COc1ccc(-c2noc(CN3CCN(Cc4nc5ccsc5c(=O)[nH]4)CC3)n2)cc1 ZINC000097527641 556237090 /nfs/dbraw/zinc/23/70/90/556237090.db2.gz HGNFAJQDPCSHSV-UHFFFAOYSA-N 0 0 438.513 2.773 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009190986 556253177 /nfs/dbraw/zinc/25/31/77/556253177.db2.gz VYFQQESENHMGKX-UHFFFAOYSA-N 0 0 431.514 2.555 50 0 IFAARN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000009191166 556253785 /nfs/dbraw/zinc/25/37/85/556253785.db2.gz HAQUIHMLJIJNFQ-JKSUJKDBSA-N 0 0 445.541 2.764 50 0 IFAARN O=C(Cn1c(=O)sc2ccccc21)Nc1nnc(SCC(=O)N2CCCCC2)s1 ZINC000009226856 556260628 /nfs/dbraw/zinc/26/06/28/556260628.db2.gz SDSKCQHUPCPOIJ-UHFFFAOYSA-N 0 0 449.583 2.658 50 0 IFAARN COc1ccc(C)cc1CN1CCN(CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)CC1 ZINC000097601707 556274830 /nfs/dbraw/zinc/27/48/30/556274830.db2.gz XDFPZLPFHSBSES-OALUTQOASA-N 0 0 428.577 2.825 50 0 IFAARN COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)c1 ZINC000009306675 556276933 /nfs/dbraw/zinc/27/69/33/556276933.db2.gz OLRNAFPWVCOWQE-INIZCTEOSA-N 0 0 431.514 2.693 50 0 IFAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000013687433 556277066 /nfs/dbraw/zinc/27/70/66/556277066.db2.gz WKJPWCYMCSOQII-YLJYHZDGSA-N 0 0 438.509 2.989 50 0 IFAARN COc1cc(C(=O)Nc2ccc3c(c2)nc(CN2CCOCC2)n3C)cc(OC)c1OC ZINC000013691046 556280353 /nfs/dbraw/zinc/28/03/53/556280353.db2.gz PPSUMTHPDSGAEE-UHFFFAOYSA-N 0 0 440.500 2.684 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)ccn3n2)cc1 ZINC000009321148 556280646 /nfs/dbraw/zinc/28/06/46/556280646.db2.gz VYSHNYKCNHLGGS-UHFFFAOYSA-N 0 0 432.436 2.582 50 0 IFAARN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCC(=O)OC ZINC000009323356 556281340 /nfs/dbraw/zinc/28/13/40/556281340.db2.gz TUKRNUUNIZTFIF-LICLKQGHSA-N 0 0 428.416 2.869 50 0 IFAARN CCCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(OC)cc4)nn3c2=O)cc1 ZINC000013713634 556285782 /nfs/dbraw/zinc/28/57/82/556285782.db2.gz ANQHJFYVUXARER-QNGOZBTKSA-N 0 0 449.532 2.837 50 0 IFAARN CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccc(F)c1 ZINC000009392363 556287510 /nfs/dbraw/zinc/28/75/10/556287510.db2.gz OBWJVBAFUXNTDX-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN O=S1(=O)C[C@@H]2N=C(SCCCOc3ccccc3)N(c3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000013720754 556289697 /nfs/dbraw/zinc/28/96/97/556289697.db2.gz QFZOQAOCVZSNJP-ZWKOTPCHSA-N 0 0 446.550 2.959 50 0 IFAARN CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2)C1=O ZINC000013724588 556292192 /nfs/dbraw/zinc/29/21/92/556292192.db2.gz MUXYFKNCQOYDSP-UHFFFAOYSA-N 0 0 442.946 2.521 50 0 IFAARN COc1cc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)ccc1O ZINC000013728440 556294177 /nfs/dbraw/zinc/29/41/77/556294177.db2.gz ALHQOFJOQVBCSN-GCJKJVERSA-N 0 0 426.494 2.645 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccccn1 ZINC000013729641 556294707 /nfs/dbraw/zinc/29/47/07/556294707.db2.gz CKLGQEQMNVWABG-UHFFFAOYSA-N 0 0 441.491 2.790 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1 ZINC000009525819 556296049 /nfs/dbraw/zinc/29/60/49/556296049.db2.gz IBJOCENCVNCCSU-UHFFFAOYSA-N 0 0 432.498 2.608 50 0 IFAARN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCCOc1ccccc1)N2c1ccc2c(c1)OCO2 ZINC000013731884 556296127 /nfs/dbraw/zinc/29/61/27/556296127.db2.gz MINDMHTZAPEIRD-SJORKVTESA-N 0 0 432.523 2.569 50 0 IFAARN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 ZINC000009526001 556296714 /nfs/dbraw/zinc/29/67/14/556296714.db2.gz XJVYCAZMRQBWST-QGZVFWFLSA-N 0 0 436.464 2.874 50 0 IFAARN CSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cc2c(cc1Br)OCO2 ZINC000009559865 556298565 /nfs/dbraw/zinc/29/85/65/556298565.db2.gz XAZGKQBBFVFNPY-NSHDSACASA-N 0 0 428.304 2.962 50 0 IFAARN CCn1c(CC(=O)Nc2nccs2)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 ZINC000009583093 556301152 /nfs/dbraw/zinc/30/11/52/556301152.db2.gz PMDBYRKAKHOBQP-JTQLQIEISA-N 0 0 437.576 2.820 50 0 IFAARN Cc1cc(CN2CCN(C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc43)CC2)no1 ZINC000032741384 556303171 /nfs/dbraw/zinc/30/31/71/556303171.db2.gz UPWWZWNXNWQELA-UHFFFAOYSA-N 0 0 443.507 2.699 50 0 IFAARN O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000032741725 556303446 /nfs/dbraw/zinc/30/34/46/556303446.db2.gz UXXMBZLZJQNYRE-NZQKXSOJSA-N 0 0 438.505 2.759 50 0 IFAARN COc1ccc(CCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC ZINC000009659675 556304240 /nfs/dbraw/zinc/30/42/40/556304240.db2.gz VUWZPBFKWKJXPU-UHFFFAOYSA-N 0 0 434.558 2.952 50 0 IFAARN COC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1Cl ZINC000009695206 556306706 /nfs/dbraw/zinc/30/67/06/556306706.db2.gz YRUHOSLZAZFKQJ-WRWORJQWSA-N 0 0 443.308 2.782 50 0 IFAARN O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000032736787 556306815 /nfs/dbraw/zinc/30/68/15/556306815.db2.gz CFZOTTUGVRXDKZ-FQEVSTJZSA-N 0 0 428.510 2.779 50 0 IFAARN O=C(NCc1ccccc1)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 ZINC000032744839 556308921 /nfs/dbraw/zinc/30/89/21/556308921.db2.gz ZFAIIQQKSZYAAX-IBGZPJMESA-N 0 0 425.554 2.908 50 0 IFAARN COc1ccccc1Cn1c(=O)c2cccnc2n(CC(=O)Nc2ccc(C)c(C)c2)c1=O ZINC000009831028 556312334 /nfs/dbraw/zinc/31/23/34/556312334.db2.gz CRVMSBIBACYPHO-UHFFFAOYSA-N 0 0 444.491 2.871 50 0 IFAARN COCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000013815055 556314101 /nfs/dbraw/zinc/31/41/01/556314101.db2.gz AGGMTEWVCGSMQO-UHFFFAOYSA-N 0 0 426.469 2.843 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc(OC)c1OC ZINC000009856713 556314303 /nfs/dbraw/zinc/31/43/03/556314303.db2.gz WKARRHXOYVSHMR-IBGZPJMESA-N 0 0 446.456 2.870 50 0 IFAARN CC(=O)Nc1ccc(OC(=O)CN2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000013839430 556317567 /nfs/dbraw/zinc/31/75/67/556317567.db2.gz PPFZJIFEEDPZSQ-UHFFFAOYSA-N 0 0 446.257 2.782 50 0 IFAARN COc1cccc(C(=O)N2CCN(CC(=O)N(C)Cc3c(F)cccc3Cl)CC2)c1 ZINC000032761095 556317812 /nfs/dbraw/zinc/31/78/12/556317812.db2.gz QZCUZJQEBFCPAX-UHFFFAOYSA-N 0 0 433.911 2.904 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013843059 556317876 /nfs/dbraw/zinc/31/78/76/556317876.db2.gz GZDSZIXUBAULAU-LLVKDONJSA-N 0 0 441.303 2.526 50 0 IFAARN O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000032760392 556320538 /nfs/dbraw/zinc/32/05/38/556320538.db2.gz ZFPDOZDSBBMRFG-MRXNPFEDSA-N 0 0 429.517 2.724 50 0 IFAARN NS(=O)(=O)Nc1cccc(CNC(=O)COc2ccccc2Cc2ccccc2)c1 ZINC000032754045 556323210 /nfs/dbraw/zinc/32/32/10/556323210.db2.gz NZUXPFNOJVAOSS-UHFFFAOYSA-N 0 0 425.510 2.588 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@@]2(C)CC2(Cl)Cl)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000032754866 556324061 /nfs/dbraw/zinc/32/40/61/556324061.db2.gz BOFZQPQMVMULMU-SUMWQHHRSA-N 0 0 431.272 2.886 50 0 IFAARN COc1ccc(Br)cc1CN(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000032755536 556324602 /nfs/dbraw/zinc/32/46/02/556324602.db2.gz JWONREFJBZTXEX-UHFFFAOYSA-N 0 0 448.360 2.682 50 0 IFAARN NC(=O)C1CCN(C(=O)C2CCN(Cc3c(F)cccc3Br)CC2)CC1 ZINC000013880108 556325382 /nfs/dbraw/zinc/32/53/82/556325382.db2.gz ALIPJFWNSADIIL-UHFFFAOYSA-N 0 0 426.330 2.524 50 0 IFAARN CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000010128956 556326510 /nfs/dbraw/zinc/32/65/10/556326510.db2.gz AGDMMULSNHLPFK-IBGZPJMESA-N 0 0 439.537 2.510 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000013896566 556329638 /nfs/dbraw/zinc/32/96/38/556329638.db2.gz ZACCMWDSWPDSJN-QGZVFWFLSA-N 0 0 442.541 2.586 50 0 IFAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc(OC)cc2OC)n2nnnc2N3)cc1 ZINC000010295512 556329722 /nfs/dbraw/zinc/32/97/22/556329722.db2.gz QUEXYFBMOCMKFY-IBGZPJMESA-N 0 0 433.428 2.556 50 0 IFAARN COc1cc(Br)c(CCNC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1OC ZINC000032777504 556330492 /nfs/dbraw/zinc/33/04/92/556330492.db2.gz CQBAFOZYOCEWBL-HNNXBMFYSA-N 0 0 449.349 2.832 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)c1 ZINC000032768799 556333437 /nfs/dbraw/zinc/33/34/37/556333437.db2.gz VOKSGOYUDKBWSP-LJQANCHMSA-N 0 0 433.530 2.794 50 0 IFAARN COC(=O)c1ccc(NC(=O)C[C@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 ZINC000010382152 556333921 /nfs/dbraw/zinc/33/39/21/556333921.db2.gz MFLINDRBUYWBND-QGZVFWFLSA-N 0 0 426.450 2.749 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nnsc3Cl)CC2)c(C)c1 ZINC000032776167 556336928 /nfs/dbraw/zinc/33/69/28/556336928.db2.gz IIHYXJDWXSBQCE-UHFFFAOYSA-N 0 0 429.951 2.952 50 0 IFAARN CCc1ccc(C(=O)C[C@@]2(O)c3cc(Br)ccc3N(CC(=O)OC)C2=O)cc1 ZINC000013940676 556337988 /nfs/dbraw/zinc/33/79/88/556337988.db2.gz XRTLSNIXZZJUCB-OAQYLSRUSA-N 0 0 446.297 2.992 50 0 IFAARN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(CCOc2ccccc2)CC1 ZINC000022919930 556340176 /nfs/dbraw/zinc/34/01/76/556340176.db2.gz JQBGZHXHXXLVKY-OAQYLSRUSA-N 0 0 438.572 2.547 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)/C(=C\c2cccc(OC)c2OC)n2ccccc2=O)C1 ZINC000013944037 556340975 /nfs/dbraw/zinc/34/09/75/556340975.db2.gz WVQCLEZSTWIQFP-AQRXXJNJSA-N 0 0 440.496 2.665 50 0 IFAARN CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)C(=O)CC(C)C)CC1)c1ccccc1 ZINC000011661511 556343149 /nfs/dbraw/zinc/34/31/49/556343149.db2.gz GPCSTXZHLZICGP-NRFANRHFSA-N 0 0 426.517 2.988 50 0 IFAARN CC(=O)N1C(=O)c2ccc(Oc3cccc(N4C(=O)c5cccnc5C4=O)c3)cc2C1=O ZINC000013955234 556344896 /nfs/dbraw/zinc/34/48/96/556344896.db2.gz BHLNKDVFGVJWAS-UHFFFAOYSA-N 0 0 427.372 2.817 50 0 IFAARN CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O)[C@@H]1CCCc2ccccc21 ZINC000032571522 556348408 /nfs/dbraw/zinc/34/84/08/556348408.db2.gz YIVUKXMIHORRGD-KBMIEXCESA-N 0 0 449.507 2.761 50 0 IFAARN CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O)[C@@H]1CCCc2ccccc21 ZINC000032571520 556348531 /nfs/dbraw/zinc/34/85/31/556348531.db2.gz YIVUKXMIHORRGD-CLOONOSVSA-N 0 0 449.507 2.761 50 0 IFAARN CCn1nc(C)c(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)c1C ZINC000011753555 556348849 /nfs/dbraw/zinc/34/88/49/556348849.db2.gz ZXUGUTXRCVQDCK-OKILXGFUSA-N 0 0 430.578 2.768 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CCOc1ccc(F)cc1 ZINC000032788796 556350761 /nfs/dbraw/zinc/35/07/61/556350761.db2.gz DMZUCQKPYUWHBI-LJQANCHMSA-N 0 0 426.485 2.805 50 0 IFAARN CN(Cc1nccn1C)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O ZINC000011785047 556352855 /nfs/dbraw/zinc/35/28/55/556352855.db2.gz APFICQIPOXPHBZ-QHCPKHFHSA-N 0 0 426.492 2.547 50 0 IFAARN COc1cc(C[C@]2(CCC(=O)NCCCOc3cccnc3)CCC(=O)N2)ccc1F ZINC000011785629 556353199 /nfs/dbraw/zinc/35/31/99/556353199.db2.gz NXLWQEVHHZDGQF-QHCPKHFHSA-N 0 0 429.492 2.786 50 0 IFAARN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000011787992 556354129 /nfs/dbraw/zinc/35/41/29/556354129.db2.gz NDZIEFXQHJIOQC-QGZVFWFLSA-N 0 0 433.940 2.942 50 0 IFAARN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)NCc1ccc2c(c1)OCO2 ZINC000014015928 556355492 /nfs/dbraw/zinc/35/54/92/556355492.db2.gz NTXPGLMOAWIJKU-NSHDSACASA-N 0 0 431.905 2.838 50 0 IFAARN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)c1ccc(-n2cncn2)cc1 ZINC000014014834 556355540 /nfs/dbraw/zinc/35/55/40/556355540.db2.gz UHOIVKXMWKCWBO-CYBMUJFWSA-N 0 0 445.932 2.852 50 0 IFAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000032796081 556358896 /nfs/dbraw/zinc/35/88/96/556358896.db2.gz AKOLZXOPPKVLCY-OAHLLOKOSA-N 0 0 448.354 2.984 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000022933755 556358942 /nfs/dbraw/zinc/35/89/42/556358942.db2.gz QBHQPZALZRVLJG-KRWDZBQOSA-N 0 0 438.519 2.635 50 0 IFAARN CN1C(=O)N(CC(=O)Nc2ccc(-n3cnc4ccccc43)nc2)C(=O)C12CCCCC2 ZINC000032796671 556362513 /nfs/dbraw/zinc/36/25/13/556362513.db2.gz IWWZWRRFUNTIKD-UHFFFAOYSA-N 0 0 432.484 2.956 50 0 IFAARN CCN(C(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000032797216 556363482 /nfs/dbraw/zinc/36/34/82/556363482.db2.gz JACBJQUJVSKVKD-DOTOQJQBSA-N 0 0 435.615 2.900 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1OC ZINC000032797360 556363994 /nfs/dbraw/zinc/36/39/94/556363994.db2.gz JENHPCLMGXMUQO-GOSISDBHSA-N 0 0 441.576 2.753 50 0 IFAARN Cc1nc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cs1 ZINC000011841493 556365203 /nfs/dbraw/zinc/36/52/03/556365203.db2.gz YDBBZBCDISHXLB-SFHVURJKSA-N 0 0 427.574 2.828 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000032803086 556365437 /nfs/dbraw/zinc/36/54/37/556365437.db2.gz VGPNZOUOHADIAO-OAQYLSRUSA-N 0 0 447.557 2.741 50 0 IFAARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O ZINC000014092662 556365449 /nfs/dbraw/zinc/36/54/49/556365449.db2.gz AXAIXLMOYYZPOT-JOCHJYFZSA-N 0 0 440.887 2.873 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3ccc4c(c3)OCO4)c2c1 ZINC000014108727 556368800 /nfs/dbraw/zinc/36/88/00/556368800.db2.gz MEAQJQZQBZJJLA-UHFFFAOYSA-N 0 0 443.481 2.540 50 0 IFAARN Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC000011870797 556368899 /nfs/dbraw/zinc/36/88/99/556368899.db2.gz WVCSYTUACGTPIO-UPVQGACJSA-N 0 0 432.528 2.967 50 0 IFAARN Cc1nc(N2CCC(C(=O)N3CCCC[C@@H]3C)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000011872530 556369029 /nfs/dbraw/zinc/36/90/29/556369029.db2.gz DIXKPOJXOYXIKK-HNNXBMFYSA-N 0 0 430.574 2.959 50 0 IFAARN COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)CC1=O ZINC000032808826 556369572 /nfs/dbraw/zinc/36/95/72/556369572.db2.gz PFJHEJQCHBJBSE-KRWDZBQOSA-N 0 0 448.523 2.863 50 0 IFAARN CCOC(=O)C[C@H]1COCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000011874867 556370739 /nfs/dbraw/zinc/37/07/39/556370739.db2.gz WBQAXPIRNJUNHU-FQEVSTJZSA-N 0 0 434.496 2.710 50 0 IFAARN CN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 ZINC000014117759 556371205 /nfs/dbraw/zinc/37/12/05/556371205.db2.gz IXUQBUGEAOOVNT-UHFFFAOYSA-N 0 0 436.950 2.928 50 0 IFAARN CCn1c(CCC(N)=O)nnc1SCc1nnc(-c2ccccc2Br)o1 ZINC000014117120 556371221 /nfs/dbraw/zinc/37/12/21/556371221.db2.gz MHLIYJJTXALHJV-UHFFFAOYSA-N 0 0 437.323 2.821 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2cccs2)cc1 ZINC000014118885 556371455 /nfs/dbraw/zinc/37/14/55/556371455.db2.gz WUUVTWRXABDZFG-UHFFFAOYSA-N 0 0 443.550 2.937 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1 ZINC000014118891 556371611 /nfs/dbraw/zinc/37/16/11/556371611.db2.gz FZTMWUOGYBSFRB-UHFFFAOYSA-N 0 0 443.569 2.937 50 0 IFAARN Cc1cc(CN(C)C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3ccncc3)C2=O)[nH]n1 ZINC000011911929 556375297 /nfs/dbraw/zinc/37/52/97/556375297.db2.gz IAJUJKNWIMQAQR-VWLOTQADSA-N 0 0 445.523 2.667 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC000014160363 556378125 /nfs/dbraw/zinc/37/81/25/556378125.db2.gz NROMGDDIJGUZHA-DEOSSOPVSA-N 0 0 430.464 2.605 50 0 IFAARN O=C(CC[C@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1)N1CCN(c2ccccn2)CC1 ZINC000011936800 556379183 /nfs/dbraw/zinc/37/91/83/556379183.db2.gz FXAASXYQOJKFRP-LJQANCHMSA-N 0 0 446.555 2.939 50 0 IFAARN Cc1ccsc1S(=O)(=O)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000011956993 556381044 /nfs/dbraw/zinc/38/10/44/556381044.db2.gz GHBCBWZZXFTSHS-KRWDZBQOSA-N 0 0 428.601 2.577 50 0 IFAARN C/C=C(\C)CN1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000011967342 556382176 /nfs/dbraw/zinc/38/21/76/556382176.db2.gz QYSHFGQRIAGUIM-KHYDFDAGSA-N 0 0 445.951 2.659 50 0 IFAARN COC(=O)c1c(OCc2cccnc2)cc(=O)n2c1CCN(C(=O)C1CCCCC1)CC2 ZINC000011971204 556382654 /nfs/dbraw/zinc/38/26/54/556382654.db2.gz KQIMTZSLZHJTFF-UHFFFAOYSA-N 0 0 439.512 2.574 50 0 IFAARN COc1cccc(C[C@]2(CCC(=O)NCc3cnn(-c4ccccc4)n3)CCC(=O)N2)c1 ZINC000011975215 556383100 /nfs/dbraw/zinc/38/31/00/556383100.db2.gz GERRDOMRJSPATG-DEOSSOPVSA-N 0 0 433.512 2.564 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000014183830 556383643 /nfs/dbraw/zinc/38/36/43/556383643.db2.gz HWPUQCMRMYBSJK-UHFFFAOYSA-N 0 0 426.502 2.684 50 0 IFAARN CSc1nnc(CNC(=O)CN2C[C@H](c3ccccc3)CC2=O)n1-c1ccc(F)cc1 ZINC000011983403 556383809 /nfs/dbraw/zinc/38/38/09/556383809.db2.gz WYQSWSNYZFQHOC-MRXNPFEDSA-N 0 0 439.516 2.761 50 0 IFAARN Cc1cc(C(F)(F)F)nc(CCNC(=O)Cn2cc(NC(=O)c3ccccc3)cn2)n1 ZINC000011997245 556384059 /nfs/dbraw/zinc/38/40/59/556384059.db2.gz FQFVKMXDYMFQRN-UHFFFAOYSA-N 0 0 432.406 2.612 50 0 IFAARN Cc1ccccc1SCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000014184504 556384463 /nfs/dbraw/zinc/38/44/63/556384463.db2.gz UBGGPGFCHQZGJU-UHFFFAOYSA-N 0 0 426.510 2.898 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)cc1 ZINC000014188053 556386666 /nfs/dbraw/zinc/38/66/66/556386666.db2.gz STIWTCPWGKDFOA-UHFFFAOYSA-N 0 0 442.541 2.814 50 0 IFAARN COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CCN(C(=O)c1ccccc1)CC2 ZINC000012021051 556386777 /nfs/dbraw/zinc/38/67/77/556386777.db2.gz ZJZZSNDBJRYABB-QGZVFWFLSA-N 0 0 449.507 2.982 50 0 IFAARN CCCn1nc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c2ccccc2c1=O ZINC000014188755 556386941 /nfs/dbraw/zinc/38/69/41/556386941.db2.gz FDRCTVCAIYBFMB-UHFFFAOYSA-N 0 0 432.524 2.699 50 0 IFAARN COc1ccccc1-c1ccnc(-n2ncc(C(=O)N(C)C[C@@H]3COCCO3)c2C2CC2)n1 ZINC000012023324 556387107 /nfs/dbraw/zinc/38/71/07/556387107.db2.gz GAKDELTZZDVEEW-QGZVFWFLSA-N 0 0 449.511 2.703 50 0 IFAARN O=C([C@@H]1CCCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1)N1CCOCC1 ZINC000012031288 556388941 /nfs/dbraw/zinc/38/89/41/556388941.db2.gz CRIJXQYTOBDCGW-MRXNPFEDSA-N 0 0 438.450 2.750 50 0 IFAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CC=C(c2ccccc2)CC1 ZINC000014198301 556389640 /nfs/dbraw/zinc/38/96/40/556389640.db2.gz MDADVQFHDDOACB-JOCHJYFZSA-N 0 0 428.492 2.947 50 0 IFAARN COc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)ccc1OCC(N)=O ZINC000014198492 556389656 /nfs/dbraw/zinc/38/96/56/556389656.db2.gz YCEXXSZTHZSFAZ-UHFFFAOYSA-N 0 0 425.510 2.964 50 0 IFAARN O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000014198289 556389698 /nfs/dbraw/zinc/38/96/98/556389698.db2.gz FBWWOIXTHJWKOI-QHCPKHFHSA-N 0 0 432.476 2.729 50 0 IFAARN CC[C@@H](C)C(=O)N1CCC([C@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 ZINC000012035947 556389791 /nfs/dbraw/zinc/38/97/91/556389791.db2.gz VUVOYCWYNHDHQQ-CMJOXMDJSA-N 0 0 431.533 2.799 50 0 IFAARN Cc1nc2ncnn2c(C)c1CCC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000014199411 556390277 /nfs/dbraw/zinc/39/02/77/556390277.db2.gz QWZKNRVHJHMTSJ-UHFFFAOYSA-N 0 0 441.845 2.969 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C)CC1 ZINC000012040049 556390759 /nfs/dbraw/zinc/39/07/59/556390759.db2.gz NQTTXXJNHYKHCY-UHFFFAOYSA-N 0 0 440.529 2.922 50 0 IFAARN Cc1ccc(SCCNC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1 ZINC000014200711 556391452 /nfs/dbraw/zinc/39/14/52/556391452.db2.gz SAXHGHMQIIBYDU-OAQYLSRUSA-N 0 0 433.480 2.949 50 0 IFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000014201350 556391771 /nfs/dbraw/zinc/39/17/71/556391771.db2.gz UULGVLYMBAJSNG-JOCHJYFZSA-N 0 0 440.503 2.923 50 0 IFAARN CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 ZINC000032809393 556394020 /nfs/dbraw/zinc/39/40/20/556394020.db2.gz ZRDBMNVUELAGCA-FQEVSTJZSA-N 0 0 425.485 2.960 50 0 IFAARN CCNC(=O)CN1CCCN(C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1 ZINC000032818976 556394537 /nfs/dbraw/zinc/39/45/37/556394537.db2.gz HNNSHKRJLKRVDT-UHFFFAOYSA-N 0 0 447.539 2.996 50 0 IFAARN CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCOCC3)CC2=O)cc1 ZINC000012062215 556395432 /nfs/dbraw/zinc/39/54/32/556395432.db2.gz DKMNTQXRJONYRQ-IBGZPJMESA-N 0 0 432.524 2.978 50 0 IFAARN C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000014227928 556395749 /nfs/dbraw/zinc/39/57/49/556395749.db2.gz MZWXRLJTZMSWMI-CQSZACIVSA-N 0 0 425.435 2.920 50 0 IFAARN O=C([C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCN(c2ncccn2)CC1 ZINC000012072609 556396203 /nfs/dbraw/zinc/39/62/03/556396203.db2.gz IQFFUQNMOZDEEJ-KRWDZBQOSA-N 0 0 447.461 2.583 50 0 IFAARN CN(C)C(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)c2ccccc2O1 ZINC000032810487 556396986 /nfs/dbraw/zinc/39/69/86/556396986.db2.gz NKMYHLINBRURQA-NRFANRHFSA-N 0 0 446.507 2.619 50 0 IFAARN CSCC[C@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000032810651 556397263 /nfs/dbraw/zinc/39/72/63/556397263.db2.gz VATMIQDCCLIWDR-CEXWTWQISA-N 0 0 443.569 2.814 50 0 IFAARN C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000012077908 556397912 /nfs/dbraw/zinc/39/79/12/556397912.db2.gz IUJOJONQZIJUMV-CYBMUJFWSA-N 0 0 443.891 2.803 50 0 IFAARN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCC(=O)Nc1ccccc1Br ZINC000014235464 556399122 /nfs/dbraw/zinc/39/91/22/556399122.db2.gz RNPPAEXVRRKKQO-HXUWFJFHSA-N 0 0 446.345 2.887 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000032814219 556399402 /nfs/dbraw/zinc/39/94/02/556399402.db2.gz IQNAUHPJPYTZFH-UHFFFAOYSA-N 0 0 428.963 2.734 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccc3c(c2)NC(=O)CS3)cc1OC ZINC000014241546 556402012 /nfs/dbraw/zinc/40/20/12/556402012.db2.gz HQWYEXSZKCVUGR-LBPRGKRZSA-N 0 0 430.482 2.610 50 0 IFAARN Cc1nc2nc(N)nn2c(C)c1CCC(=O)OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000014242743 556403197 /nfs/dbraw/zinc/40/31/97/556403197.db2.gz QVFROOKSHGIPFE-UHFFFAOYSA-N 0 0 427.852 2.703 50 0 IFAARN COc1ccc([C@H]2[C@@H](C(=O)OC(C)C)[C@@](C)(O)CC(=O)[C@H]2C(=O)OC(C)C)cc1OC ZINC000012382679 556403833 /nfs/dbraw/zinc/40/38/33/556403833.db2.gz OKIJXRJWFMQZJO-UGTOYMOASA-N 0 0 436.501 2.647 50 0 IFAARN COc1ccc(OC)c([C@H](C)N[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 ZINC000014244247 556403882 /nfs/dbraw/zinc/40/38/82/556403882.db2.gz PBBWDCYHFZPDJP-JKSUJKDBSA-N 0 0 449.573 2.940 50 0 IFAARN COc1ccc(OC)c([C@H](C)N[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 ZINC000014244245 556403898 /nfs/dbraw/zinc/40/38/98/556403898.db2.gz PBBWDCYHFZPDJP-HOTGVXAUSA-N 0 0 449.573 2.940 50 0 IFAARN Cc1ccc(C(N)=O)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000014244499 556404234 /nfs/dbraw/zinc/40/42/34/556404234.db2.gz MZESLWJGWXXSPZ-INIZCTEOSA-N 0 0 445.541 2.675 50 0 IFAARN CC(C)CCN(Cc1ncc(Cl)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014245084 556404754 /nfs/dbraw/zinc/40/47/54/556404754.db2.gz SHKAVCFQMMKIMP-UHFFFAOYSA-N 0 0 430.940 2.607 50 0 IFAARN O=C(Nc1ccnn1Cc1ccccc1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000014245166 556405053 /nfs/dbraw/zinc/40/50/53/556405053.db2.gz VOKNXOOPDXJBDS-GOSISDBHSA-N 0 0 449.536 2.731 50 0 IFAARN COc1ccccc1NC(=O)Cc1noc(Cn2cnc3ccc(Cl)cc3c2=O)n1 ZINC000014245767 556405588 /nfs/dbraw/zinc/40/55/88/556405588.db2.gz YCXYIPVVDQZKRH-UHFFFAOYSA-N 0 0 425.832 2.671 50 0 IFAARN O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000014246543 556406596 /nfs/dbraw/zinc/40/65/96/556406596.db2.gz BDSKBRPHWHGMNR-KZNAEPCWSA-N 0 0 433.574 2.567 50 0 IFAARN COc1ccccc1-c1noc(COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 ZINC000014247469 556407156 /nfs/dbraw/zinc/40/71/56/556407156.db2.gz JVLBUPMWNWKVNR-UHFFFAOYSA-N 0 0 443.481 2.887 50 0 IFAARN COc1ccc(CN2C(=O)[C@]3(SC(NC(C)=O)=NN3C(C)=O)c3cccc(C)c32)cc1 ZINC000032594501 556407740 /nfs/dbraw/zinc/40/77/40/556407740.db2.gz DETHNYJJZMZASW-JOCHJYFZSA-N 0 0 438.509 2.706 50 0 IFAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)[C@]23CCC(=O)N2CCS3)cs1 ZINC000014250567 556408821 /nfs/dbraw/zinc/40/88/21/556408821.db2.gz JSAGYNXOJUMSMW-HXUWFJFHSA-N 0 0 447.538 2.945 50 0 IFAARN O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000014254616 556410362 /nfs/dbraw/zinc/41/03/62/556410362.db2.gz YYYHVXNLMATPBE-UHFFFAOYSA-N 0 0 440.544 2.574 50 0 IFAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CN2C(=O)CNC2=O)cc1C ZINC000032820353 556412232 /nfs/dbraw/zinc/41/22/32/556412232.db2.gz KALLBBMXOAFHMI-UHFFFAOYSA-N 0 0 431.496 2.666 50 0 IFAARN O=C([C@@H]1COc2ccccc2O1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000032820372 556412235 /nfs/dbraw/zinc/41/22/35/556412235.db2.gz YCUGOJVYWMWHDN-NRFANRHFSA-N 0 0 428.510 2.590 50 0 IFAARN O=C(CN1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CC1)N1CCCC1 ZINC000032820627 556412449 /nfs/dbraw/zinc/41/24/49/556412449.db2.gz LUQHPKPIHODDKP-UHFFFAOYSA-N 0 0 432.977 2.773 50 0 IFAARN Cn1ncc2c1ncnc2N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000014328984 556413459 /nfs/dbraw/zinc/41/34/59/556413459.db2.gz OLTMUBWMAAGWFD-UHFFFAOYSA-N 0 0 444.421 2.754 50 0 IFAARN C[C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032672002 556414504 /nfs/dbraw/zinc/41/45/04/556414504.db2.gz TZLNAPOGZFNPON-CQSZACIVSA-N 0 0 430.482 2.613 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000032674917 556415644 /nfs/dbraw/zinc/41/56/44/556415644.db2.gz RWCFKPLXPBJICG-CQSZACIVSA-N 0 0 430.482 2.655 50 0 IFAARN C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000032830373 556417091 /nfs/dbraw/zinc/41/70/91/556417091.db2.gz MSYVQNQRGCRWNO-MWTRTKDXSA-N 0 0 439.468 2.572 50 0 IFAARN CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)[C@H]1CCCN(c3ccccn3)C1)CC2 ZINC000014533223 556422034 /nfs/dbraw/zinc/42/20/34/556422034.db2.gz RYUACSZCJFGHQW-SFHVURJKSA-N 0 0 437.544 2.666 50 0 IFAARN Cc1nc(C(=O)N2CCc3c(c(C(=O)NCc4cccnc4)nn3CC(C)C)C2)cs1 ZINC000014534582 556422624 /nfs/dbraw/zinc/42/26/24/556422624.db2.gz WEUSTJUUCPUEIE-UHFFFAOYSA-N 0 0 438.557 2.828 50 0 IFAARN CC(=O)N1CCC[C@H]1C(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 ZINC000014538242 556424378 /nfs/dbraw/zinc/42/43/78/556424378.db2.gz PFIMKUDILQVTCA-PKTZIBPZSA-N 0 0 441.572 2.586 50 0 IFAARN Cc1cccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000012981445 556424478 /nfs/dbraw/zinc/42/44/78/556424478.db2.gz BHRIDNSVLNQIGS-GOSISDBHSA-N 0 0 427.570 2.817 50 0 IFAARN CCOC(=O)C1=C(Cn2cnc3cc(Cl)ccc3c2=O)NC(=O)N[C@@H]1c1ccco1 ZINC000032841194 556427099 /nfs/dbraw/zinc/42/70/99/556427099.db2.gz LIOBTKMYBKIJFH-QGZVFWFLSA-N 0 0 428.832 2.514 50 0 IFAARN Cc1cc(=O)c(C(=O)NCc2nnc3n2CCCCC3)nn1-c1ccccc1C(F)(F)F ZINC000032841623 556427319 /nfs/dbraw/zinc/42/73/19/556427319.db2.gz LZOMHCOJUURAJV-UHFFFAOYSA-N 0 0 446.433 2.808 50 0 IFAARN COc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000014578789 556427710 /nfs/dbraw/zinc/42/77/10/556427710.db2.gz XLPIVQONKQIRDH-UHFFFAOYSA-N 0 0 446.859 2.900 50 0 IFAARN NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000012992634 556428842 /nfs/dbraw/zinc/42/88/42/556428842.db2.gz NJIPFGPVSPHJKU-QGZVFWFLSA-N 0 0 426.516 2.603 50 0 IFAARN CCCCn1c(N)c(N(CCOC)C(=O)c2oc3c(cccc3Cl)c2C)c(=O)[nH]c1=O ZINC000014624293 556429951 /nfs/dbraw/zinc/42/99/51/556429951.db2.gz PRQVHJYHBOBZOZ-UHFFFAOYSA-N 0 0 448.907 2.920 50 0 IFAARN CCCNC(=O)[C@@H]1CN(C(=O)CCCn2cnc3c(C)cccc3c2=O)c2ccccc2O1 ZINC000032847887 556430572 /nfs/dbraw/zinc/43/05/72/556430572.db2.gz MPSJCIUTODLPIX-NRFANRHFSA-N 0 0 448.523 2.806 50 0 IFAARN CCCNC(=O)[C@H]1CN(C(=O)CCCn2cnc3c(C)cccc3c2=O)c2ccccc2O1 ZINC000032847889 556430657 /nfs/dbraw/zinc/43/06/57/556430657.db2.gz MPSJCIUTODLPIX-OAQYLSRUSA-N 0 0 448.523 2.806 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(OCCSc2nnc3c4ccccc4[nH]c3n2)cc1 ZINC000032848691 556430831 /nfs/dbraw/zinc/43/08/31/556430831.db2.gz AYCBSUWYKKTOKP-UHFFFAOYSA-N 0 0 429.527 2.928 50 0 IFAARN Cc1cccc(NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)c1 ZINC000012996279 556431269 /nfs/dbraw/zinc/43/12/69/556431269.db2.gz QDEWWEXYUYLIHJ-UHFFFAOYSA-N 0 0 429.498 2.716 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 ZINC000012997343 556431786 /nfs/dbraw/zinc/43/17/86/556431786.db2.gz DDXZKGYCGDFIOS-GOSISDBHSA-N 0 0 443.569 2.926 50 0 IFAARN O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1cccc(Br)c1 ZINC000012998991 556432652 /nfs/dbraw/zinc/43/26/52/556432652.db2.gz ROQOHTUAFYBFIV-HNNXBMFYSA-N 0 0 427.320 2.670 50 0 IFAARN O=C(Cn1cnc2sc3c(c2c1=O)CCSC3)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000013000291 556432791 /nfs/dbraw/zinc/43/27/91/556432791.db2.gz QMDWCSBXWCGDKN-UHFFFAOYSA-N 0 0 428.539 2.694 50 0 IFAARN CCCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 ZINC000027817643 556433422 /nfs/dbraw/zinc/43/34/22/556433422.db2.gz ZWKXKCZWQCWYDJ-LLVKDONJSA-N 0 0 449.396 2.914 50 0 IFAARN CN(C)[C@@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccccc1Cl ZINC000032855980 556433393 /nfs/dbraw/zinc/43/33/93/556433393.db2.gz XOUQIRBNSHDJFG-KRWDZBQOSA-N 0 0 430.979 2.862 50 0 IFAARN COC(=O)c1ccc(CNC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 ZINC000013001493 556433582 /nfs/dbraw/zinc/43/35/82/556433582.db2.gz KDEGCJYJYYNTGR-GOSISDBHSA-N 0 0 426.494 2.507 50 0 IFAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)COC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000027823749 556433635 /nfs/dbraw/zinc/43/36/35/556433635.db2.gz AQLUKWWBXDFUOK-CQSZACIVSA-N 0 0 433.844 2.566 50 0 IFAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000032956253 556434230 /nfs/dbraw/zinc/43/42/30/556434230.db2.gz BUPQZTLNPKQRLB-UHFFFAOYSA-N 0 0 433.342 2.812 50 0 IFAARN CC(C)[C@@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccccc1 ZINC000032858292 556434874 /nfs/dbraw/zinc/43/48/74/556434874.db2.gz NNUFXNNRFINRGN-LJQANCHMSA-N 0 0 432.571 2.826 50 0 IFAARN O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000013008614 556435319 /nfs/dbraw/zinc/43/53/19/556435319.db2.gz MKOQINGASIJLHQ-UHFFFAOYSA-N 0 0 440.422 2.562 50 0 IFAARN O=C(CSc1ccc(F)c(F)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000013015203 556437347 /nfs/dbraw/zinc/43/73/47/556437347.db2.gz GNJIKXZPGAYJJE-UHFFFAOYSA-N 0 0 428.482 2.717 50 0 IFAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)[C@H](CC3CCCCC3)NC(=O)[C@H]2C1 ZINC000014733452 556437727 /nfs/dbraw/zinc/43/77/27/556437727.db2.gz CZNQNMAKWKXQLP-ZWKOTPCHSA-N 0 0 437.462 2.827 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000027977242 556437847 /nfs/dbraw/zinc/43/78/47/556437847.db2.gz HKSUMNYVZQWTFI-UHFFFAOYSA-N 0 0 432.480 2.783 50 0 IFAARN NS(=O)(=O)c1ccc(-n2ncc(NCc3ccc(Cl)cc3)c(Cl)c2=O)cc1 ZINC000013016806 556438345 /nfs/dbraw/zinc/43/83/45/556438345.db2.gz MKQPKTSDQNHBPN-UHFFFAOYSA-N 0 0 425.297 2.799 50 0 IFAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]2C1 ZINC000014740817 556438526 /nfs/dbraw/zinc/43/85/26/556438526.db2.gz YYOTYTOXEXPGNI-BJKOFHAPSA-N 0 0 439.515 2.748 50 0 IFAARN CC(C)c1ccc(-n2nnnc2SCC(=O)NCC(=O)Nc2ccc(F)cc2)cc1 ZINC000013018155 556438964 /nfs/dbraw/zinc/43/89/64/556438964.db2.gz ITQLBHYZYQKWCG-UHFFFAOYSA-N 0 0 428.493 2.772 50 0 IFAARN Cc1nc(CN(C)[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cs1 ZINC000014746216 556441167 /nfs/dbraw/zinc/44/11/67/556441167.db2.gz XVXBKHLSTLIZPC-SFHVURJKSA-N 0 0 431.606 2.766 50 0 IFAARN CN(CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000027998924 556441249 /nfs/dbraw/zinc/44/12/49/556441249.db2.gz LILVCSJJJDDTRC-UHFFFAOYSA-N 0 0 430.505 2.729 50 0 IFAARN O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NCCCN1CCCC1=O ZINC000032957591 556442282 /nfs/dbraw/zinc/44/22/82/556442282.db2.gz ZCIVRBMIHBXNLW-UHFFFAOYSA-N 0 0 426.445 2.559 50 0 IFAARN COc1cc(C)c(S(=O)(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1OC ZINC000028038915 556442319 /nfs/dbraw/zinc/44/23/19/556442319.db2.gz KJMGGTZVHCETMZ-UHFFFAOYSA-N 0 0 432.542 2.857 50 0 IFAARN O=C(NC1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccc(F)cc1 ZINC000028052577 556442995 /nfs/dbraw/zinc/44/29/95/556442995.db2.gz XCFJBZNZCUDXNW-UHFFFAOYSA-N 0 0 434.489 2.570 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCC[C@H]1c1cccs1 ZINC000013031639 556443016 /nfs/dbraw/zinc/44/30/16/556443016.db2.gz POHYVSVFKUBAFJ-IBGZPJMESA-N 0 0 449.598 2.853 50 0 IFAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc2c(c1)OCCCO2)CC3 ZINC000028059420 556443287 /nfs/dbraw/zinc/44/32/87/556443287.db2.gz NWTRZUBVKMQKJF-UHFFFAOYSA-N 0 0 442.493 2.863 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1 ZINC000013037933 556443570 /nfs/dbraw/zinc/44/35/70/556443570.db2.gz WOBQDUCFQOOJIJ-SFHVURJKSA-N 0 0 440.569 2.916 50 0 IFAARN COc1ccc(CN2C[C@H](OCc3cccnc3)CN(Cc3cn(C)nc3C)CC2=O)cc1 ZINC000014752396 556444096 /nfs/dbraw/zinc/44/40/96/556444096.db2.gz YCWPFUHKXNGODK-XMMPIXPASA-N 0 0 449.555 2.562 50 0 IFAARN O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000011027577 556444955 /nfs/dbraw/zinc/44/49/55/556444955.db2.gz AJORBPVSZRJGQN-UHFFFAOYSA-N 0 0 439.497 2.907 50 0 IFAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2cccc(-n3cnnn3)c2)[C@H]1c1ccc(OC)cc1 ZINC000013039344 556445114 /nfs/dbraw/zinc/44/51/14/556445114.db2.gz PHKWQCLAICURPS-IFMALSPDSA-N 0 0 434.500 2.999 50 0 IFAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2cccc(-n3cnnn3)c2)[C@@H]1c1ccc(OC)cc1 ZINC000013039343 556445130 /nfs/dbraw/zinc/44/51/30/556445130.db2.gz PHKWQCLAICURPS-IRLDBZIGSA-N 0 0 434.500 2.999 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2cc(-c3cccs3)on2)cc1 ZINC000014766029 556445157 /nfs/dbraw/zinc/44/51/57/556445157.db2.gz LSVDZSWHDMQDSK-LBPRGKRZSA-N 0 0 449.510 2.772 50 0 IFAARN Cc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000013039480 556445338 /nfs/dbraw/zinc/44/53/38/556445338.db2.gz JKANAZBNCFPTKE-UHFFFAOYSA-N 0 0 447.582 2.860 50 0 IFAARN CCOCCCNC(=O)c1cccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1 ZINC000072272893 556445517 /nfs/dbraw/zinc/44/55/17/556445517.db2.gz SOEDYPWINSOTKR-BJLQDIEVSA-N 0 0 448.589 2.507 50 0 IFAARN COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)n2)c1 ZINC000014791425 556445819 /nfs/dbraw/zinc/44/58/19/556445819.db2.gz KNBMQJOSXMSFGA-UHFFFAOYSA-N 0 0 430.486 2.630 50 0 IFAARN CCn1c(C)cc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)c1C ZINC000013040219 556445872 /nfs/dbraw/zinc/44/58/72/556445872.db2.gz OAIBFKBDZVJNTC-UHFFFAOYSA-N 0 0 426.469 2.797 50 0 IFAARN Cc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000013040680 556446345 /nfs/dbraw/zinc/44/63/45/556446345.db2.gz PDWKLCYFETYZDH-OAQYLSRUSA-N 0 0 432.542 2.776 50 0 IFAARN O=C(CSc1ccc2c(c1)OCCO2)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000028234406 556446627 /nfs/dbraw/zinc/44/66/27/556446627.db2.gz RSLJBVOPLQUHJC-CQSZACIVSA-N 0 0 439.580 2.827 50 0 IFAARN C[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000032862983 556447989 /nfs/dbraw/zinc/44/79/89/556447989.db2.gz LFQANQQCUDBCRQ-CYBMUJFWSA-N 0 0 442.994 2.637 50 0 IFAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C(=O)NCC(F)(F)F ZINC000013057072 556449163 /nfs/dbraw/zinc/44/91/63/556449163.db2.gz IFJJMPJPPYGXTA-NSHDSACASA-N 0 0 448.394 2.850 50 0 IFAARN COCCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000032868728 556449248 /nfs/dbraw/zinc/44/92/48/556449248.db2.gz SIKICURJKFGFEM-OAHLLOKOSA-N 0 0 444.509 2.829 50 0 IFAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000032865611 556451043 /nfs/dbraw/zinc/45/10/43/556451043.db2.gz KYTQUZPEDKVVAX-QFIPXVFZSA-N 0 0 427.508 2.871 50 0 IFAARN O=C(Cn1nnn(-c2cccs2)c1=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000032865592 556451105 /nfs/dbraw/zinc/45/11/05/556451105.db2.gz NZGSXWMOKDGQAS-GOSISDBHSA-N 0 0 444.520 2.920 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccc3c(c2)OCCO3)c1 ZINC000014866880 556451756 /nfs/dbraw/zinc/45/17/56/556451756.db2.gz VXQXREAOFCQPLQ-UHFFFAOYSA-N 0 0 432.542 2.769 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)OCc3cccc(F)c3)CC2=O)cc1 ZINC000032867733 556452255 /nfs/dbraw/zinc/45/22/55/556452255.db2.gz GMVWLNBWOKQYLG-KRWDZBQOSA-N 0 0 448.516 2.953 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3ncn(-c4ccccc4F)c3=S)CC2)cc1 ZINC000013070350 556453262 /nfs/dbraw/zinc/45/32/62/556453262.db2.gz OQRFLYXPUJBICV-UHFFFAOYSA-N 0 0 447.561 2.815 50 0 IFAARN Cc1nc(N2CCC(C(=O)NC(C3CC3)C3CC3)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000014881193 556453368 /nfs/dbraw/zinc/45/33/68/556453368.db2.gz XSPKUZPUCCQSMZ-UHFFFAOYSA-N 0 0 442.585 2.863 50 0 IFAARN COCCCN1C(=O)C[C@@](CC(=O)N(C)Cc2ccsc2)(c2ccccc2OC)C1=O ZINC000014880610 556453523 /nfs/dbraw/zinc/45/35/23/556453523.db2.gz DJAHCDUYDTUWKI-QHCPKHFHSA-N 0 0 444.553 2.839 50 0 IFAARN CN1CCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)CC1 ZINC000014887692 556455790 /nfs/dbraw/zinc/45/57/90/556455790.db2.gz AVQPYUQMBKOZLA-SANMLTNESA-N 0 0 431.536 2.677 50 0 IFAARN O=C(Cn1ncc2ccccc2c1=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000028506981 556456379 /nfs/dbraw/zinc/45/63/79/556456379.db2.gz MJDPEMDYYRDCOT-UHFFFAOYSA-N 0 0 445.548 2.864 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000014900007 556456690 /nfs/dbraw/zinc/45/66/90/556456690.db2.gz FCPTUGPIKDESRF-SNVBAGLBSA-N 0 0 434.378 2.661 50 0 IFAARN Cc1cc(C(=O)COC(=O)c2ccccc2NCCO)c(C)n1NC(=O)c1ccccc1 ZINC000013096096 556456930 /nfs/dbraw/zinc/45/69/30/556456930.db2.gz OWFDFWQNAGPIHF-UHFFFAOYSA-N 0 0 435.480 2.933 50 0 IFAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)COC(=O)c2cnc(C)cn2)cc1 ZINC000013097090 556457699 /nfs/dbraw/zinc/45/76/99/556457699.db2.gz LEKWVDRVUUHQQQ-UHFFFAOYSA-N 0 0 448.479 2.562 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000014909853 556458389 /nfs/dbraw/zinc/45/83/89/556458389.db2.gz XFGOURVTAYZVOK-SFHVURJKSA-N 0 0 445.585 2.525 50 0 IFAARN Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)[C@H]2c2cccs2)cc1 ZINC000013098799 556459394 /nfs/dbraw/zinc/45/93/94/556459394.db2.gz LBZQMGCQGBIHNC-LRQRDZAKSA-N 0 0 432.567 2.844 50 0 IFAARN O=C(C1CCN(c2nc3nonc3nc2NCc2cccs2)CC1)N1CCCCC1 ZINC000014950332 556460226 /nfs/dbraw/zinc/46/02/26/556460226.db2.gz DCFMKBMSGLWGGY-UHFFFAOYSA-N 0 0 427.534 2.915 50 0 IFAARN CCn1c2ccc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc2[nH]c(=O)c1=O ZINC000013101779 556460795 /nfs/dbraw/zinc/46/07/95/556460795.db2.gz LWZKZLGDGRYILQ-GOSISDBHSA-N 0 0 435.480 2.848 50 0 IFAARN O=C(c1cccs1)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000013108256 556461986 /nfs/dbraw/zinc/46/19/86/556461986.db2.gz BMHMMVJMXVBOOI-UHFFFAOYSA-N 0 0 441.553 2.673 50 0 IFAARN O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCc1cn2ccccc2n1 ZINC000028834126 556462049 /nfs/dbraw/zinc/46/20/49/556462049.db2.gz XPHHQJNKFBKFKW-UHFFFAOYSA-N 0 0 441.285 2.789 50 0 IFAARN Cc1nc(S[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)sc1CC(N)=O ZINC000032871352 556462385 /nfs/dbraw/zinc/46/23/85/556462385.db2.gz WOHRPQYRUFKGHR-ABROSTTOSA-N 0 0 436.603 2.755 50 0 IFAARN O=C(CCn1cc(Br)ccc1=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000072281726 556463145 /nfs/dbraw/zinc/46/31/45/556463145.db2.gz SWBMEFFXMOFIPH-OAHLLOKOSA-N 0 0 432.318 2.878 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3c3nc(C)nn32)CC1 ZINC000032871514 556464354 /nfs/dbraw/zinc/46/43/54/556464354.db2.gz WDJNFYWRQLSBQN-CYBMUJFWSA-N 0 0 427.530 2.868 50 0 IFAARN O=C(CSc1nnnn1C1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013112645 556465513 /nfs/dbraw/zinc/46/55/13/556465513.db2.gz LFSKSJJBQRIBJU-UHFFFAOYSA-N 0 0 435.575 2.938 50 0 IFAARN CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000013114710 556467303 /nfs/dbraw/zinc/46/73/03/556467303.db2.gz CPEQNVGSIRFCLZ-UHFFFAOYSA-N 0 0 431.518 2.660 50 0 IFAARN Nc1n[nH]c(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)n1 ZINC000013117377 556469866 /nfs/dbraw/zinc/46/98/66/556469866.db2.gz NDHNNLSDEGJTLR-UHFFFAOYSA-N 0 0 442.570 2.988 50 0 IFAARN C[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1nnc2n1CCCCC2 ZINC000029255558 556470861 /nfs/dbraw/zinc/47/08/61/556470861.db2.gz LCEAKJATVCRSED-CQSZACIVSA-N 0 0 440.573 2.922 50 0 IFAARN CNS(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)ccc1C ZINC000013119799 556472056 /nfs/dbraw/zinc/47/20/56/556472056.db2.gz XHKJNPSIMAHIHZ-UHFFFAOYSA-N 0 0 443.525 2.798 50 0 IFAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)CCNC(C)=O)C3)c1 ZINC000014984268 556472072 /nfs/dbraw/zinc/47/20/72/556472072.db2.gz DYAAWWOXVSNMCN-KRWDZBQOSA-N 0 0 432.904 2.970 50 0 IFAARN COc1cccc(-c2nnc(SCC(=O)NC[C@H]3CCCO3)n2Cc2ccco2)c1 ZINC000013120657 556472582 /nfs/dbraw/zinc/47/25/82/556472582.db2.gz UMMWDTBKLBWEBD-QGZVFWFLSA-N 0 0 428.514 2.982 50 0 IFAARN Cc1ccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)coc2c1 ZINC000013120779 556472898 /nfs/dbraw/zinc/47/28/98/556472898.db2.gz WCOBUPLVRKMISQ-UHFFFAOYSA-N 0 0 428.510 2.621 50 0 IFAARN Cc1nc(Cc2nnc(SCC(=O)Nc3ccc(CN4CCOCC4)cc3)o2)cs1 ZINC000013120749 556473026 /nfs/dbraw/zinc/47/30/26/556473026.db2.gz AZEXCJZFSGHKPG-UHFFFAOYSA-N 0 0 445.570 2.988 50 0 IFAARN O=C(C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCC[C@@H]1CO ZINC000014987405 556473337 /nfs/dbraw/zinc/47/33/37/556473337.db2.gz CWLIKOVXGWJKSI-UTKZUKDTSA-N 0 0 438.446 2.628 50 0 IFAARN COc1ccccc1CCC(=O)Nc1cnn(CC(=O)N(C)CC[C@H]2CCCCO2)c1 ZINC000014989368 556474033 /nfs/dbraw/zinc/47/40/33/556474033.db2.gz DRIFATYHPXQFEG-HXUWFJFHSA-N 0 0 428.533 2.881 50 0 IFAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000029422313 556474992 /nfs/dbraw/zinc/47/49/92/556474992.db2.gz ZYPZCMDZSNEVQF-LJQANCHMSA-N 0 0 447.582 2.634 50 0 IFAARN O=C(CCSc1nnnn1-c1cccc(F)c1)Nc1ccccc1C(=O)NC1CC1 ZINC000032871170 556475565 /nfs/dbraw/zinc/47/55/65/556475565.db2.gz IFCNRCGDWLNZDP-UHFFFAOYSA-N 0 0 426.477 2.815 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CC[C@]2(Cc3ccc(SC)cc3)CCC(=O)N2)CC1 ZINC000014992450 556475750 /nfs/dbraw/zinc/47/57/50/556475750.db2.gz UBXBSEFPBYWZRZ-QFIPXVFZSA-N 0 0 433.574 2.681 50 0 IFAARN COc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)ccc1OCC(N)=O ZINC000029477472 556476077 /nfs/dbraw/zinc/47/60/77/556476077.db2.gz CQJSUQFVAHOISI-QGZVFWFLSA-N 0 0 426.469 2.698 50 0 IFAARN O=C(C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1 ZINC000014993053 556476030 /nfs/dbraw/zinc/47/60/30/556476030.db2.gz SDNURDMSHUZZPR-HSZRJFAPSA-N 0 0 445.563 2.842 50 0 IFAARN CSc1nnc(CNC(=O)Cc2ccc(N3CCNC3=O)cc2)n1-c1ccccc1C ZINC000014994452 556476910 /nfs/dbraw/zinc/47/69/10/556476910.db2.gz KZBDBGRJKSKSOZ-UHFFFAOYSA-N 0 0 436.541 2.686 50 0 IFAARN COc1cc(C=CC(=O)NCc2c(C)nc3c(c(=O)[nH]n3C)c2C)ccc1OC(F)F ZINC000072285347 556476989 /nfs/dbraw/zinc/47/69/89/556476989.db2.gz RZASQNOOGCIQSZ-SOFGYWHQSA-N 0 0 432.427 2.818 50 0 IFAARN O=C1c2cccc(N3CCN(Cc4ccc(F)cc4)CC3)c2C(=O)N1CCn1cccn1 ZINC000014995143 556477277 /nfs/dbraw/zinc/47/72/77/556477277.db2.gz QLLKOLSEGBOBCU-UHFFFAOYSA-N 0 0 433.487 2.641 50 0 IFAARN COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000029597725 556478253 /nfs/dbraw/zinc/47/82/53/556478253.db2.gz NQNDMFYMSMPCJL-GOSISDBHSA-N 0 0 439.512 2.512 50 0 IFAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cccc(Br)c1 ZINC000013128843 556478476 /nfs/dbraw/zinc/47/84/76/556478476.db2.gz HWPLLWJUIFSOQB-UHFFFAOYSA-N 0 0 439.331 2.912 50 0 IFAARN CCCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2COC)CC1 ZINC000014997677 556478652 /nfs/dbraw/zinc/47/86/52/556478652.db2.gz FGGLGEZNFMVIPG-UHFFFAOYSA-N 0 0 426.546 2.705 50 0 IFAARN COc1ccc([C@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccccc2OC)c(OC)c1 ZINC000029598310 556478832 /nfs/dbraw/zinc/47/88/32/556478832.db2.gz DLKKXHIMUVXBBX-LJQANCHMSA-N 0 0 441.528 2.758 50 0 IFAARN COc1ccccc1CN1CCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000015000029 556479350 /nfs/dbraw/zinc/47/93/50/556479350.db2.gz FYDIWTYUXOMDGF-LJQANCHMSA-N 0 0 435.524 2.792 50 0 IFAARN COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCCCC2)cc1 ZINC000013130869 556480195 /nfs/dbraw/zinc/48/01/95/556480195.db2.gz ZUWLGTMQGOCOJH-HXUWFJFHSA-N 0 0 432.542 2.972 50 0 IFAARN COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCCCC2)cc1 ZINC000013130871 556480211 /nfs/dbraw/zinc/48/02/11/556480211.db2.gz ZUWLGTMQGOCOJH-FQEVSTJZSA-N 0 0 432.542 2.972 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000029690615 556480197 /nfs/dbraw/zinc/48/01/97/556480197.db2.gz SWKYCLLQMATJHE-UHFFFAOYSA-N 0 0 439.943 2.951 50 0 IFAARN C[C@H](Sc1nnc(Cc2cccc3ccccc32)n1N)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000013131835 556480723 /nfs/dbraw/zinc/48/07/23/556480723.db2.gz UFXIZVWOEISXKD-XHSDSOJGSA-N 0 0 425.558 2.852 50 0 IFAARN Cn1c(SCCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1 ZINC000032874002 556481899 /nfs/dbraw/zinc/48/18/99/556481899.db2.gz NGBKBXJJJOZDGO-UHFFFAOYSA-N 0 0 429.458 2.677 50 0 IFAARN COc1ccc(-c2csc(NC(=O)COC(=O)CNC(=O)c3cccc(F)c3)n2)cc1 ZINC000013134217 556482026 /nfs/dbraw/zinc/48/20/26/556482026.db2.gz WBYMBYSZCGNJEQ-UHFFFAOYSA-N 0 0 443.456 2.870 50 0 IFAARN COc1ccc(C(=O)NCC(=O)OCC(=O)c2ccccc2Br)cc1OC ZINC000013135119 556483384 /nfs/dbraw/zinc/48/33/84/556483384.db2.gz QQSDRWLUFYSFSX-UHFFFAOYSA-N 0 0 436.258 2.622 50 0 IFAARN COc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 ZINC000013137154 556484066 /nfs/dbraw/zinc/48/40/66/556484066.db2.gz ZNIXQIQTCQUQCB-UHFFFAOYSA-N 0 0 433.530 2.929 50 0 IFAARN CCOc1cc(C(=O)OCn2nnc3ccccc3c2=O)cc(Br)c1OC ZINC000013137649 556484445 /nfs/dbraw/zinc/48/44/45/556484445.db2.gz LWHOFXDBWIQNIM-UHFFFAOYSA-N 0 0 434.246 2.776 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCc2cccc3cccnc32)cc1C ZINC000029851374 556484584 /nfs/dbraw/zinc/48/45/84/556484584.db2.gz LKCAHIQQTOODTI-CTNGQTDRSA-N 0 0 440.521 2.719 50 0 IFAARN CCOC(=O)c1cccc(S(=O)(=O)Nc2ncccc2I)c1 ZINC000072289733 556484618 /nfs/dbraw/zinc/48/46/18/556484618.db2.gz SFKLLOGCHPWJSM-UHFFFAOYSA-N 0 0 432.239 2.664 50 0 IFAARN Cc1ccccc1NC(=O)CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1C ZINC000015019720 556487766 /nfs/dbraw/zinc/48/77/66/556487766.db2.gz UCWZFTNWVMRJKA-UHFFFAOYSA-N 0 0 445.570 2.821 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCCc1nc2ccccc2[nH]1 ZINC000029986722 556488269 /nfs/dbraw/zinc/48/82/69/556488269.db2.gz FCSBIKOKNPXVBF-UHFFFAOYSA-N 0 0 431.422 2.928 50 0 IFAARN Cc1ccc(-c2csc3ncn(CC(=O)NCC(C)(C)N4CCOCC4)c(=O)c23)s1 ZINC000030027815 556489547 /nfs/dbraw/zinc/48/95/47/556489547.db2.gz QKWWLSHROSMUFZ-UHFFFAOYSA-N 0 0 446.598 2.722 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Oc1ccc2ccc(=O)oc2c1 ZINC000015042731 556489847 /nfs/dbraw/zinc/48/98/47/556489847.db2.gz MBEWJRKPODLTOB-AWEZNQCLSA-N 0 0 430.482 2.758 50 0 IFAARN Nc1c(N(CCC2=CCCCC2)C(=O)[C@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000013149889 556491623 /nfs/dbraw/zinc/49/16/23/556491623.db2.gz VSIICFQANDZQAK-LJQANCHMSA-N 0 0 438.528 2.570 50 0 IFAARN O=C(Cc1cc(Cl)cc2c1OCOC2)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000030256484 556492083 /nfs/dbraw/zinc/49/20/83/556492083.db2.gz RNLDOMZPQLZKIG-MRXNPFEDSA-N 0 0 425.890 2.558 50 0 IFAARN CCc1noc(C)c1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000015064880 556492151 /nfs/dbraw/zinc/49/21/51/556492151.db2.gz PRVDPQUEGKQMTF-LJQANCHMSA-N 0 0 439.560 2.922 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O)c1ccc2c(c1)OCCO2 ZINC000030345905 556492871 /nfs/dbraw/zinc/49/28/71/556492871.db2.gz CGCKCJBWOPNUJO-SHACYNPGSA-N 0 0 449.463 2.848 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O)c1ccc2c(c1)OCCO2 ZINC000030345906 556493274 /nfs/dbraw/zinc/49/32/74/556493274.db2.gz CGCKCJBWOPNUJO-BSEYFRJRSA-N 0 0 449.463 2.848 50 0 IFAARN Cc1nc(C)c(C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)s1 ZINC000013163594 556493959 /nfs/dbraw/zinc/49/39/59/556493959.db2.gz WISCAKMYRKNHJT-UHFFFAOYSA-N 0 0 441.557 2.933 50 0 IFAARN COc1cccc(C(=O)N(c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C2CCCC2)c1 ZINC000013163658 556494465 /nfs/dbraw/zinc/49/44/65/556494465.db2.gz KCRMKIXHJKPFFN-UHFFFAOYSA-N 0 0 434.496 2.765 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCCOc1ccc2ccccc2c1 ZINC000030446974 556494692 /nfs/dbraw/zinc/49/46/92/556494692.db2.gz MARGJYGQZFMYPB-UHFFFAOYSA-N 0 0 441.505 2.970 50 0 IFAARN COc1ccc(C(=O)N[C@H](C)Cn2nc(C)cc2C)cc1OC1CCN(C(C)=O)CC1 ZINC000015069813 556495052 /nfs/dbraw/zinc/49/50/52/556495052.db2.gz UDDGDFRIQYMUSW-MRXNPFEDSA-N 0 0 428.533 2.717 50 0 IFAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000030496512 556495396 /nfs/dbraw/zinc/49/53/96/556495396.db2.gz XKUXNUVBNHSBCF-UHFFFAOYSA-N 0 0 433.961 2.973 50 0 IFAARN COc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1c(C)noc1C ZINC000013164164 556495689 /nfs/dbraw/zinc/49/56/89/556495689.db2.gz VAABJAOQWGNPCX-UHFFFAOYSA-N 0 0 431.470 2.779 50 0 IFAARN O=C(NCc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000013164159 556495704 /nfs/dbraw/zinc/49/57/04/556495704.db2.gz LNRGXTAEGIEREM-INIZCTEOSA-N 0 0 426.897 2.866 50 0 IFAARN O=C(NCc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000013164160 556495794 /nfs/dbraw/zinc/49/57/94/556495794.db2.gz LNRGXTAEGIEREM-MRXNPFEDSA-N 0 0 426.897 2.866 50 0 IFAARN C[C@@H]1c2cccn2CCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000013164194 556496095 /nfs/dbraw/zinc/49/60/95/556496095.db2.gz OUSCECIGUOYYLK-OAHLLOKOSA-N 0 0 436.965 2.941 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000013165138 556497934 /nfs/dbraw/zinc/49/79/34/556497934.db2.gz JSQKXMAIWPYSOX-RTBURBONSA-N 0 0 433.512 2.951 50 0 IFAARN O=C(Nc1ccccc1N1CCCC1=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000013165168 556497940 /nfs/dbraw/zinc/49/79/40/556497940.db2.gz VKESWWKTXLOSAY-UHFFFAOYSA-N 0 0 433.555 2.914 50 0 IFAARN O=C(Cc1ccc2c(c1)CCCC2)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000032706131 556498557 /nfs/dbraw/zinc/49/85/57/556498557.db2.gz XQQLFRPYLTYDAY-UHFFFAOYSA-N 0 0 442.581 2.586 50 0 IFAARN CS(=O)(=O)c1cccc(NC(=O)CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 ZINC000030590376 556498955 /nfs/dbraw/zinc/49/89/55/556498955.db2.gz LRLHLBOHZHVJIS-LJQANCHMSA-N 0 0 444.557 2.705 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000013282838 556501790 /nfs/dbraw/zinc/50/17/90/556501790.db2.gz ZCCLMHZHMGAASK-GTVARFKMSA-N 0 0 439.924 2.847 50 0 IFAARN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(OC)c1 ZINC000030713625 556502404 /nfs/dbraw/zinc/50/24/04/556502404.db2.gz LPDHMLHLBNBTRV-BOPFTXTBSA-N 0 0 426.494 2.847 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000013322503 556502763 /nfs/dbraw/zinc/50/27/63/556502763.db2.gz WSXXVQBXVSCQLT-UHFFFAOYSA-N 0 0 427.448 2.650 50 0 IFAARN CSCC[C@H](C(=O)NCCn1c(C)nc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000015135860 556505829 /nfs/dbraw/zinc/50/58/29/556505829.db2.gz YXFRDCKUSKLJOM-HXUWFJFHSA-N 0 0 436.537 2.879 50 0 IFAARN COCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000013451028 556506178 /nfs/dbraw/zinc/50/61/78/556506178.db2.gz CBOAJSAJZUSIMU-UHFFFAOYSA-N 0 0 447.395 2.925 50 0 IFAARN COC(=O)c1cn(-c2ncc3c(n2)CC(C)(C)CC3=O)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000030822981 556506891 /nfs/dbraw/zinc/50/68/91/556506891.db2.gz FBECWDIZKGJHHQ-UHFFFAOYSA-N 0 0 443.463 2.860 50 0 IFAARN COc1ccc2c(c1)nc(SCC(=O)N[C@@H]1CCS(=O)(=O)C1)cc2C(F)(F)F ZINC000030831844 556507093 /nfs/dbraw/zinc/50/70/93/556507093.db2.gz UCIIYWIVRUEAAB-SNVBAGLBSA-N 0 0 434.461 2.658 50 0 IFAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)CCNC(=O)c2ccsc2)CC1 ZINC000032882118 556508513 /nfs/dbraw/zinc/50/85/13/556508513.db2.gz CYUBHJJQIIDQGL-IBGZPJMESA-N 0 0 449.960 2.580 50 0 IFAARN CCS(=O)(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000032883853 556509629 /nfs/dbraw/zinc/50/96/29/556509629.db2.gz IMAVQRQFFYZCPQ-UHFFFAOYSA-N 0 0 442.584 2.969 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(Sc3ccc(Br)cc3)nc2)CC1 ZINC000015209452 556511481 /nfs/dbraw/zinc/51/14/81/556511481.db2.gz DMEUOMWCZVGFQM-UHFFFAOYSA-N 0 0 428.377 2.931 50 0 IFAARN Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c1C ZINC000015245291 556513629 /nfs/dbraw/zinc/51/36/29/556513629.db2.gz HGGKFARIOZHVIN-SBUREZEXSA-N 0 0 426.469 2.547 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000032895549 556515136 /nfs/dbraw/zinc/51/51/36/556515136.db2.gz LMHRIBWDLVJGHZ-GHMZBOCLSA-N 0 0 443.875 2.583 50 0 IFAARN COc1cc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c(OC)cc1Cl ZINC000030942795 556516599 /nfs/dbraw/zinc/51/65/99/556516599.db2.gz COUYHPRFJOYVEG-MRXNPFEDSA-N 0 0 440.905 2.913 50 0 IFAARN COC(=O)c1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000030946585 556517332 /nfs/dbraw/zinc/51/73/32/556517332.db2.gz WXXHLNVTCSEQQW-QGZVFWFLSA-N 0 0 438.889 2.682 50 0 IFAARN COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013566176 556518970 /nfs/dbraw/zinc/51/89/70/556518970.db2.gz DRCVFXOADTVEQK-UHFFFAOYSA-N 0 0 438.933 2.892 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCOC(C)C)C1 ZINC000013566398 556519520 /nfs/dbraw/zinc/51/95/20/556519520.db2.gz HSRSUHDVEXADEW-OAHLLOKOSA-N 0 0 432.970 2.681 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1cccnc1 ZINC000013566407 556519548 /nfs/dbraw/zinc/51/95/48/556519548.db2.gz GSCZQXXNMPLXJT-UHFFFAOYSA-N 0 0 437.521 2.837 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000013566397 556519603 /nfs/dbraw/zinc/51/96/03/556519603.db2.gz QMFZMAJHGBOGQC-UHFFFAOYSA-N 0 0 432.970 2.681 50 0 IFAARN COC(=O)[C@@]1(C(F)(F)F)N=C2Sc3cc(Cl)ccc3N2C(N2CCOCC2)=N1 ZINC000015319983 556519925 /nfs/dbraw/zinc/51/99/25/556519925.db2.gz HAYFWGXRARXSOK-HNNXBMFYSA-N 0 0 434.827 2.742 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000013568380 556520884 /nfs/dbraw/zinc/52/08/84/556520884.db2.gz CIVOACXUQQXNCZ-UHFFFAOYSA-N 0 0 430.954 2.688 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)CC1 ZINC000013568821 556521303 /nfs/dbraw/zinc/52/13/03/556521303.db2.gz DADLFDMPPWWMBX-UHFFFAOYSA-N 0 0 430.954 2.688 50 0 IFAARN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NCCc1cn2ccccc2n1 ZINC000032893802 556521573 /nfs/dbraw/zinc/52/15/73/556521573.db2.gz LOKISYOJZWJAIE-GFCCVEGCSA-N 0 0 441.340 2.667 50 0 IFAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000032893765 556521613 /nfs/dbraw/zinc/52/16/13/556521613.db2.gz NIKBXJNCNDOUOG-LJQANCHMSA-N 0 0 433.455 2.733 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000015345156 556522145 /nfs/dbraw/zinc/52/21/45/556522145.db2.gz JNHVUDDTVNNTMX-KBPBESRZSA-N 0 0 448.472 2.659 50 0 IFAARN COc1ccc([C@H]2OCCn3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000013572379 556522917 /nfs/dbraw/zinc/52/29/17/556522917.db2.gz ZFHNPAGQOQCSRB-HSZRJFAPSA-N 0 0 447.491 2.848 50 0 IFAARN COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)NCCc3ccc(O)cc3)C2=O)c1 ZINC000013572654 556523328 /nfs/dbraw/zinc/52/33/28/556523328.db2.gz WMDKYZVUBVYBFR-UNOMPAQXSA-N 0 0 442.493 2.805 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@@H]4c2ccccc2OC)n(C)c(=O)n(C)c3=O)cc1 ZINC000013575111 556525269 /nfs/dbraw/zinc/52/52/69/556525269.db2.gz KSFPBSXRBBQETG-HSZRJFAPSA-N 0 0 447.491 2.843 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2nnc3c(C(F)(F)F)cc(Cl)cn23)cc1 ZINC000013592630 556530567 /nfs/dbraw/zinc/53/05/67/556530567.db2.gz RVEAHRCJKPZRRW-UHFFFAOYSA-N 0 0 447.826 2.838 50 0 IFAARN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccsc3)cc2)C1 ZINC000015520274 556532944 /nfs/dbraw/zinc/53/29/44/556532944.db2.gz RHYNHFPLNYMDFH-MRXNPFEDSA-N 0 0 436.555 2.893 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000015541411 556533727 /nfs/dbraw/zinc/53/37/27/556533727.db2.gz JADQTQPFNPRUFZ-OAQYLSRUSA-N 0 0 430.526 2.693 50 0 IFAARN CC(=O)Oc1ccc2c(C)c(CC(=O)NCc3ccc(F)cc3)c(=O)oc2c1OC(C)=O ZINC000013609838 556534332 /nfs/dbraw/zinc/53/43/32/556534332.db2.gz QZXUPMSEWHMYKW-UHFFFAOYSA-N 0 0 441.411 2.950 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3C(=O)N3CCCC[C@H]3C2=O)cc1 ZINC000013624143 556536491 /nfs/dbraw/zinc/53/64/91/556536491.db2.gz GANNFVPQFVISKS-FQEVSTJZSA-N 0 0 435.480 2.843 50 0 IFAARN O=C(CSc1nccc(C(F)(F)F)n1)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000032903207 556539344 /nfs/dbraw/zinc/53/93/44/556539344.db2.gz IKIMVKLBVJCKCC-HNNXBMFYSA-N 0 0 426.464 2.605 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1cccs1 ZINC000015659646 556541458 /nfs/dbraw/zinc/54/14/58/556541458.db2.gz NDOYKVUMWCNHDG-XYSGSMRZSA-N 0 0 440.546 2.868 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCn1c2ccccc2oc1=O ZINC000015712742 556544590 /nfs/dbraw/zinc/54/45/90/556544590.db2.gz XDDVFIRQKDJSGV-UHFFFAOYSA-N 0 0 443.525 2.604 50 0 IFAARN O=C(c1ccc(C(F)(F)F)[nH]c1=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000032904969 556545303 /nfs/dbraw/zinc/54/53/03/556545303.db2.gz HDGVTBRNWUGGRJ-GFCCVEGCSA-N 0 0 448.401 2.864 50 0 IFAARN O=C(c1ccc(C(F)(F)F)[nH]c1=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000032904968 556545337 /nfs/dbraw/zinc/54/53/37/556545337.db2.gz HDGVTBRNWUGGRJ-LBPRGKRZSA-N 0 0 448.401 2.864 50 0 IFAARN C[C@@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(N)=O ZINC000004574701 556546523 /nfs/dbraw/zinc/54/65/23/556546523.db2.gz NLTGCWQJVYQJHP-UZLBHIALSA-N 0 0 441.528 2.691 50 0 IFAARN COc1ccc(-n2ccn3c(CCC(=O)NCc4ccc(Cl)cc4)nnc3c2=O)cc1 ZINC000015736422 556547383 /nfs/dbraw/zinc/54/73/83/556547383.db2.gz RZVXWTZTMKBBDM-UHFFFAOYSA-N 0 0 437.887 2.791 50 0 IFAARN Cc1nc(C)n(C[C@@H]2CN(C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)CCO2)n1 ZINC000072303620 556547603 /nfs/dbraw/zinc/54/76/03/556547603.db2.gz XYEPZAKYOHVJSO-SFHVURJKSA-N 0 0 449.540 2.745 50 0 IFAARN CCOc1ccc(-c2nc(COC(=O)[C@H]3CCCN3S(C)(=O)=O)cs2)cc1OC ZINC000032724150 556548445 /nfs/dbraw/zinc/54/84/45/556548445.db2.gz QGHKTSCOAWGRTO-OAHLLOKOSA-N 0 0 440.543 2.685 50 0 IFAARN Cc1oc(C2CCN([C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)nc1-c1ccccc1 ZINC000072304919 556548529 /nfs/dbraw/zinc/54/85/29/556548529.db2.gz BJHWLLRTXKBNFS-OXQOHEQNSA-N 0 0 445.585 2.863 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000032905382 556548543 /nfs/dbraw/zinc/54/85/43/556548543.db2.gz KELATWOQHXCUBP-UHFFFAOYSA-N 0 0 437.543 2.900 50 0 IFAARN CC(C)(C)OC(=O)NC(CNC(=O)/C=C/c1ccco1)CNC(=O)/C=C/c1ccco1 ZINC000072305419 556552900 /nfs/dbraw/zinc/55/29/00/556552900.db2.gz VTOGDWJWDZCBPR-GFULKKFKSA-N 0 0 429.473 2.725 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)c1 ZINC000032906552 556553078 /nfs/dbraw/zinc/55/30/78/556553078.db2.gz JAJVJMNTDQTHQT-UHFFFAOYSA-N 0 0 432.420 2.891 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000033115275 556554627 /nfs/dbraw/zinc/55/46/27/556554627.db2.gz QKRYPXICZIRPCI-IBGZPJMESA-N 0 0 430.526 2.823 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)CC1 ZINC000013681175 556556818 /nfs/dbraw/zinc/55/68/18/556556818.db2.gz CRSMEIYJJGTFGU-UHFFFAOYSA-N 0 0 431.514 2.710 50 0 IFAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)NCc4cccnc4)C3)n2)cc1OC ZINC000033250166 556556927 /nfs/dbraw/zinc/55/69/27/556556927.db2.gz ZCBOTAPGFOKDAL-SFHVURJKSA-N 0 0 437.500 2.677 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000032908032 556564216 /nfs/dbraw/zinc/56/42/16/556564216.db2.gz AKCKCIMSZIJFHT-QGZVFWFLSA-N 0 0 425.457 2.729 50 0 IFAARN CC1(C)CN(Cc2nc(-c3ccccn3)no2)CCN1Cc1nc(-c2ccccn2)no1 ZINC000072308687 556565592 /nfs/dbraw/zinc/56/55/92/556565592.db2.gz REYAGGOVEMSGEH-UHFFFAOYSA-N 0 0 432.488 2.673 50 0 IFAARN CCOC(=O)c1c(NC(=O)[C@H](C)N2CCC(NC(N)=O)CC2)sc2c1CC[C@H](C)C2 ZINC000072308780 556567006 /nfs/dbraw/zinc/56/70/06/556567006.db2.gz SFOXTIYZTBPENW-STQMWFEESA-N 0 0 436.578 2.509 50 0 IFAARN CCOC(=O)c1c(NC(=O)[C@H](C)N2CCC(NC(N)=O)CC2)sc2c1CC[C@@H](C)C2 ZINC000072308778 556567055 /nfs/dbraw/zinc/56/70/55/556567055.db2.gz SFOXTIYZTBPENW-OLZOCXBDSA-N 0 0 436.578 2.509 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000015952742 556569128 /nfs/dbraw/zinc/56/91/28/556569128.db2.gz XNPZFQAKMSFDDL-UHFFFAOYSA-N 0 0 445.541 2.569 50 0 IFAARN CCOc1ccc(CN(C)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000072309759 556573058 /nfs/dbraw/zinc/57/30/58/556573058.db2.gz XYQULCLABSYXLU-CALCHBBNSA-N 0 0 429.521 2.582 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2C1=O)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000032910414 556575609 /nfs/dbraw/zinc/57/56/09/556575609.db2.gz LLEGWNBJLLOSSR-UHFFFAOYSA-N 0 0 433.445 2.639 50 0 IFAARN CSCC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000016026202 556576535 /nfs/dbraw/zinc/57/65/35/556576535.db2.gz OSHQNXPZTMFVRG-OAQYLSRUSA-N 0 0 437.565 2.749 50 0 IFAARN Cc1ccc(C)c(-c2nnc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)c3ccccc32)c1 ZINC000016045377 556579249 /nfs/dbraw/zinc/57/92/49/556579249.db2.gz HHIBWHZUVWEYSY-INIZCTEOSA-N 0 0 425.510 2.596 50 0 IFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2cccc(OC)c2OC)C1=O ZINC000016045973 556579882 /nfs/dbraw/zinc/57/98/82/556579882.db2.gz YQSYXVBPHXQDFS-HSZRJFAPSA-N 0 0 443.475 2.659 50 0 IFAARN Cc1c(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000034657345 556580415 /nfs/dbraw/zinc/58/04/15/556580415.db2.gz IUFCROYKEMKEDI-UHFFFAOYSA-N 0 0 439.947 2.899 50 0 IFAARN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000016047174 556580634 /nfs/dbraw/zinc/58/06/34/556580634.db2.gz BCQWUYCSUSKCOC-YVEFUNNKSA-N 0 0 436.434 2.820 50 0 IFAARN C[C@H](OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000032911179 556582455 /nfs/dbraw/zinc/58/24/55/556582455.db2.gz MHBIIAJVTZQTCG-NSHDSACASA-N 0 0 435.358 2.691 50 0 IFAARN O=c1[nH]nc(SCc2cc(=O)n3cc(Br)ccc3n2)n1Cc1ccccc1 ZINC000016097306 556582773 /nfs/dbraw/zinc/58/27/73/556582773.db2.gz KLEIBWGVVIWDCE-UHFFFAOYSA-N 0 0 444.314 2.682 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000016104214 556583308 /nfs/dbraw/zinc/58/33/08/556583308.db2.gz NYBXOJSCCXABOJ-UHFFFAOYSA-N 0 0 427.381 2.582 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCc2ccccc2C1 ZINC000034858774 556584144 /nfs/dbraw/zinc/58/41/44/556584144.db2.gz ITOUUTHFFUZBOT-UHFFFAOYSA-N 0 0 449.576 2.731 50 0 IFAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)NCC(F)(F)F ZINC000032911277 556584867 /nfs/dbraw/zinc/58/48/67/556584867.db2.gz GKDXAPGACSVJIL-LLVKDONJSA-N 0 0 436.431 2.974 50 0 IFAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1 ZINC000016145210 556585516 /nfs/dbraw/zinc/58/55/16/556585516.db2.gz CMFSAQDUIRFUCG-UHFFFAOYSA-N 0 0 438.571 2.665 50 0 IFAARN CC(C)c1ccccc1OCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000016179752 556587239 /nfs/dbraw/zinc/58/72/39/556587239.db2.gz LGAHRWSAFSVFDC-UHFFFAOYSA-N 0 0 426.542 2.603 50 0 IFAARN Cc1nn(CC(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000011103370 556587224 /nfs/dbraw/zinc/58/72/24/556587224.db2.gz CKPWFFITMGECEM-KXBFYZLASA-N 0 0 430.574 2.946 50 0 IFAARN C[C@H]1Oc2ccccc2N(CCC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)C1=O ZINC000016201229 556590617 /nfs/dbraw/zinc/59/06/17/556590617.db2.gz JSVGDHLJJGOYEG-GFCCVEGCSA-N 0 0 435.402 2.705 50 0 IFAARN C[C@@H]1Oc2ccccc2N(CCC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)C1=O ZINC000016201228 556590626 /nfs/dbraw/zinc/59/06/26/556590626.db2.gz JSVGDHLJJGOYEG-LBPRGKRZSA-N 0 0 435.402 2.705 50 0 IFAARN COCCCNC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036212047 556594851 /nfs/dbraw/zinc/59/48/51/556594851.db2.gz RQNHOYPWHIGSMM-JOCHJYFZSA-N 0 0 445.604 2.921 50 0 IFAARN Cc1cc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)ccc1Br ZINC000016282138 556596518 /nfs/dbraw/zinc/59/65/18/556596518.db2.gz ODVCJCQIQPLQTR-UHFFFAOYSA-N 0 0 441.303 2.891 50 0 IFAARN Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000016283349 556596954 /nfs/dbraw/zinc/59/69/54/556596954.db2.gz IEEZLSGCQLIFOS-UHFFFAOYSA-N 0 0 448.552 2.943 50 0 IFAARN C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000016340065 556601056 /nfs/dbraw/zinc/60/10/56/556601056.db2.gz XPBBZVMOWBSPOI-CYBMUJFWSA-N 0 0 445.894 2.839 50 0 IFAARN COc1ccccc1/C=C1/Oc2ccc(C(=O)NCCCN3CCOCC3)cc2NC1=O ZINC000032983692 556603696 /nfs/dbraw/zinc/60/36/96/556603696.db2.gz ZPJBTLGSGJXOFO-CJLVFECKSA-N 0 0 437.496 2.519 50 0 IFAARN CC[C@@H](C)N(C(=O)CN(C)Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000016388252 556604551 /nfs/dbraw/zinc/60/45/51/556604551.db2.gz BBYKZNXUBXIRBA-ZBFHGGJFSA-N 0 0 431.396 2.695 50 0 IFAARN Cc1csc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(F)cc3)n2C)n1 ZINC000016474904 556610129 /nfs/dbraw/zinc/61/01/29/556610129.db2.gz IIPHUVFMJFTILD-NSHDSACASA-N 0 0 434.522 2.941 50 0 IFAARN CN(CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000022975336 556610705 /nfs/dbraw/zinc/61/07/05/556610705.db2.gz PRIQNPFEHOSSNU-HNNXBMFYSA-N 0 0 427.979 2.807 50 0 IFAARN NC(=O)N[C@H](CC(=O)NC[C@H]1COc2ccccc2O1)c1cccc(Br)c1 ZINC000032995825 556611340 /nfs/dbraw/zinc/61/13/40/556611340.db2.gz WBRNOGURXGFMRV-LSDHHAIUSA-N 0 0 434.290 2.505 50 0 IFAARN C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C1 ZINC000032915295 556611884 /nfs/dbraw/zinc/61/18/84/556611884.db2.gz DEMDCNLAPDWWQL-SFHVURJKSA-N 0 0 447.601 2.582 50 0 IFAARN CN1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)CC1 ZINC000038207000 556612411 /nfs/dbraw/zinc/61/24/11/556612411.db2.gz VXTRFHPIUXAXML-GUYCJALGSA-N 0 0 437.422 2.660 50 0 IFAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000038528103 556613091 /nfs/dbraw/zinc/61/30/91/556613091.db2.gz IQIQHZCTMNDGRT-UHFFFAOYSA-N 0 0 436.438 2.686 50 0 IFAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000016523695 556613816 /nfs/dbraw/zinc/61/38/16/556613816.db2.gz TUDUGKUXIIUTNX-UHFFFAOYSA-N 0 0 442.419 2.855 50 0 IFAARN COc1cc2c(cc1NC(=O)CN1CCC[C@@H](CNS(C)(=O)=O)C1)oc1ccccc12 ZINC000032916334 556615048 /nfs/dbraw/zinc/61/50/48/556615048.db2.gz GIJFFRNZHZCYSQ-HNNXBMFYSA-N 0 0 445.541 2.794 50 0 IFAARN Cc1cc(NC(=O)[C@H](OC(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)no1 ZINC000016563113 556615356 /nfs/dbraw/zinc/61/53/56/556615356.db2.gz SOQCTYZKCWHVBY-HXUWFJFHSA-N 0 0 433.420 2.892 50 0 IFAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000016606950 556617065 /nfs/dbraw/zinc/61/70/65/556617065.db2.gz DUSRDYBPHTWTMM-HOTGVXAUSA-N 0 0 428.876 2.690 50 0 IFAARN COc1ccc(-n2nnnc2-c2cnc(N3[C@H](C)COC[C@H]3C)nc2C(F)(F)F)cc1 ZINC000016609666 556617348 /nfs/dbraw/zinc/61/73/48/556617348.db2.gz QXRBDLBKKRKMFF-VXGBXAGGSA-N 0 0 435.410 2.760 50 0 IFAARN CN(CC(=O)NC(=O)NC1CCCC1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000016625517 556618680 /nfs/dbraw/zinc/61/86/80/556618680.db2.gz GPZMWBJIYXSZTD-UHFFFAOYSA-N 0 0 434.846 2.998 50 0 IFAARN COCCCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2cc(C)cc(C)c2)CC1 ZINC000097937928 556623673 /nfs/dbraw/zinc/62/36/73/556623673.db2.gz LHKHWJUWWYBBHG-UHFFFAOYSA-N 0 0 436.560 2.901 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000016682410 556624613 /nfs/dbraw/zinc/62/46/13/556624613.db2.gz DJXDJULZVXVKIT-UBXANZILSA-N 0 0 435.549 2.754 50 0 IFAARN COC(=O)c1ccc(CNC(=O)CN(C)CCOc2ccc(Br)cc2)cc1 ZINC000016695802 556628920 /nfs/dbraw/zinc/62/89/20/556628920.db2.gz BWYXNIPPICPMHM-UHFFFAOYSA-N 0 0 435.318 2.863 50 0 IFAARN COC(=O)C[C@@H]1C(=O)NCCN1Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000039447925 556629209 /nfs/dbraw/zinc/62/92/09/556629209.db2.gz PAINZIUKZRXZHQ-OAQYLSRUSA-N 0 0 436.487 2.850 50 0 IFAARN O=C(COC(=O)c1[nH]c2ccc(Br)cc2c1Cl)N[C@H]1CCCCNC1=O ZINC000061469072 556635236 /nfs/dbraw/zinc/63/52/36/556635236.db2.gz NGYUEHRBDFGMNR-LBPRGKRZSA-N 0 0 442.697 2.526 50 0 IFAARN Cc1cccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)CC2=O)c1C ZINC000016795117 556643080 /nfs/dbraw/zinc/64/30/80/556643080.db2.gz PASKQPWYPAOYKY-IRXDYDNUSA-N 0 0 435.480 2.573 50 0 IFAARN CCOC(=O)COc1ccc([C@H](C)NC(=O)c2cc(OC)c3c(c2)OCCO3)cc1OC ZINC000032921917 556643143 /nfs/dbraw/zinc/64/31/43/556643143.db2.gz PXUBUOUCBCYHMG-AWEZNQCLSA-N 0 0 445.468 2.908 50 0 IFAARN CCc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)[nH]1 ZINC000011716608 556644073 /nfs/dbraw/zinc/64/40/73/556644073.db2.gz FSPVFQFAPMHZKW-ZIAGYGMSSA-N 0 0 437.591 2.765 50 0 IFAARN O=S(=O)(c1ccc(OCCSc2ncnc3sccc32)cc1)N1CCOCC1 ZINC000016806753 556644480 /nfs/dbraw/zinc/64/44/80/556644480.db2.gz SBPMILKVSZRNSJ-UHFFFAOYSA-N 0 0 437.568 2.883 50 0 IFAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O ZINC000016834516 556645579 /nfs/dbraw/zinc/64/55/79/556645579.db2.gz UUDOZUNHHGGZBV-HSZRJFAPSA-N 0 0 426.492 2.771 50 0 IFAARN C[C@@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(CCc3ccccc3)c(=O)c2S1 ZINC000011726652 556647647 /nfs/dbraw/zinc/64/76/47/556647647.db2.gz BAPZIGHNHFKSOG-WBVHZDCISA-N 0 0 445.610 2.910 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1 ZINC000016899429 556648405 /nfs/dbraw/zinc/64/84/05/556648405.db2.gz LHLHIJGSQSQNKX-CQSZACIVSA-N 0 0 445.444 2.794 50 0 IFAARN O=C(CSc1ccc(NC(=O)c2cccs2)nn1)NCc1ccc2c(c1)OCO2 ZINC000011739440 556649291 /nfs/dbraw/zinc/64/92/91/556649291.db2.gz IBCPBXWVIHSUPV-UHFFFAOYSA-N 0 0 428.495 2.928 50 0 IFAARN COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(C)cc5)c(=O)n4ccn3n2)cc1 ZINC000038487537 556649676 /nfs/dbraw/zinc/64/96/76/556649676.db2.gz AOGYHNRNPYVAPY-UHFFFAOYSA-N 0 0 428.452 2.766 50 0 IFAARN CCOc1cccc2cc(C(=O)NCCCn3nc(-c4cccnc4)ccc3=O)c(=O)oc21 ZINC000011745629 556650082 /nfs/dbraw/zinc/65/00/82/556650082.db2.gz XCPONOWSLVHSBX-UHFFFAOYSA-N 0 0 446.463 2.631 50 0 IFAARN O=c1ccc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000011744838 556650161 /nfs/dbraw/zinc/65/01/61/556650161.db2.gz DATKCRKASMVXIJ-UHFFFAOYSA-N 0 0 432.505 2.951 50 0 IFAARN Cc1cc(C)cc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)c1 ZINC000011758419 556652740 /nfs/dbraw/zinc/65/27/40/556652740.db2.gz ZUWJCNINSQFUMF-GOSISDBHSA-N 0 0 448.566 2.511 50 0 IFAARN Cc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042428 556653897 /nfs/dbraw/zinc/65/38/97/556653897.db2.gz NXKJJRBRFQYBTJ-UHFFFAOYSA-N 0 0 429.528 2.982 50 0 IFAARN COc1cc(C(=O)OCC(=O)N(C)C[C@H]2COc3ccccc3O2)ccc1OC(C)C ZINC000011770724 556654417 /nfs/dbraw/zinc/65/44/17/556654417.db2.gz GUUJJYWUBHQUIE-KRWDZBQOSA-N 0 0 429.469 2.938 50 0 IFAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 ZINC000011780750 556655278 /nfs/dbraw/zinc/65/52/78/556655278.db2.gz IALICAPZUDOYHG-INIZCTEOSA-N 0 0 429.546 2.604 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CNc1ccc(-n2nccn2)cc1 ZINC000032927158 556656112 /nfs/dbraw/zinc/65/61/12/556656112.db2.gz BLYDXUQJFRFDBT-UHFFFAOYSA-N 0 0 439.545 2.889 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000032927345 556656345 /nfs/dbraw/zinc/65/63/45/556656345.db2.gz NHQVSYLIQOIGLK-QGZVFWFLSA-N 0 0 449.511 2.841 50 0 IFAARN Cc1nnc(S[C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)s1 ZINC000100720780 556657569 /nfs/dbraw/zinc/65/75/69/556657569.db2.gz OOAFARRRJFVKHT-JTQLQIEISA-N 0 0 431.280 2.875 50 0 IFAARN CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nncn2n1 ZINC000033011333 556659878 /nfs/dbraw/zinc/65/98/78/556659878.db2.gz GKRIOPVWOURSLQ-HNNXBMFYSA-N 0 0 433.472 2.890 50 0 IFAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N3CCN(Cc4cnn(C)c4)CC3)c12 ZINC000017096554 556660232 /nfs/dbraw/zinc/66/02/32/556660232.db2.gz HJQCIVCIIHFASS-UHFFFAOYSA-N 0 0 429.528 2.729 50 0 IFAARN Cc1nc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)sc1C(=O)N(C)C ZINC000017097078 556661144 /nfs/dbraw/zinc/66/11/44/556661144.db2.gz LZFSVRSWYVHNLJ-UHFFFAOYSA-N 0 0 430.559 2.988 50 0 IFAARN CCOc1cc2[nH]c(=O)n(CCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c2cc1OCC ZINC000004598127 556664351 /nfs/dbraw/zinc/66/43/51/556664351.db2.gz GZSOLRYZYCKZRE-HLLBOEOZSA-N 0 0 431.533 2.818 50 0 IFAARN c1nnn(C23C[C@@H]4C[C@@H](CC(c5nc6c7cnn(-c8ccccc8)c7ncn6n5)(C4)C2)C3)n1 ZINC000017102203 556666504 /nfs/dbraw/zinc/66/65/04/556666504.db2.gz UBTRKVIBOGIAKP-IWENEADUSA-N 0 0 438.499 2.697 50 0 IFAARN CCCCn1c2nc(CSc3nnc(CC4CCCC4)[nH]3)n(CC)c2c(=O)[nH]c1=O ZINC000011886276 556668266 /nfs/dbraw/zinc/66/82/66/556668266.db2.gz YQXGPNNEEJEJPJ-UHFFFAOYSA-N 0 0 431.566 2.849 50 0 IFAARN COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)ccc1O ZINC000248138818 556668989 /nfs/dbraw/zinc/66/89/89/556668989.db2.gz QCKNOIILUDZJLU-RVKKMQEKSA-N 0 0 428.338 2.644 50 0 IFAARN COc1ccccc1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000017128762 556669163 /nfs/dbraw/zinc/66/91/63/556669163.db2.gz BTSXIELYZMRMPF-UHFFFAOYSA-N 0 0 443.978 2.669 50 0 IFAARN Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000011904785 556670631 /nfs/dbraw/zinc/67/06/31/556670631.db2.gz GDEUZOPQYZTLPG-UHFFFAOYSA-N 0 0 428.919 2.824 50 0 IFAARN Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000011904789 556670649 /nfs/dbraw/zinc/67/06/49/556670649.db2.gz PKSDVOMOUNIYBP-UHFFFAOYSA-N 0 0 446.909 2.963 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(SCCCOc3ccc(F)cc3)nc2)CC1 ZINC000017179906 556671771 /nfs/dbraw/zinc/67/17/71/556671771.db2.gz ZEFSPEXDNVZCDT-UHFFFAOYSA-N 0 0 425.551 2.718 50 0 IFAARN O=C(COc1ccccc1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011914255 556673618 /nfs/dbraw/zinc/67/36/18/556673618.db2.gz LGXOHDMTCRVGSE-CYBMUJFWSA-N 0 0 428.304 2.637 50 0 IFAARN COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000044894129 556676179 /nfs/dbraw/zinc/67/61/79/556676179.db2.gz CTQCIFKQFVJFPA-UHFFFAOYSA-N 0 0 438.955 2.866 50 0 IFAARN CCOc1ccc(CCC2CCN(C(=O)Cn3c4ccccc4c(=O)[nH]c3=O)CC2)cc1 ZINC000011984610 556678286 /nfs/dbraw/zinc/67/82/86/556678286.db2.gz WMMPJOWAWRADND-UHFFFAOYSA-N 0 0 435.524 2.960 50 0 IFAARN CCc1nc2sc(C(=O)NCc3ccc(OCC(N)=O)c(OC)c3)c(C)c2c(C)n1 ZINC000032937108 556679066 /nfs/dbraw/zinc/67/90/66/556679066.db2.gz UCPHBRSDYDKNFP-UHFFFAOYSA-N 0 0 428.514 2.673 50 0 IFAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000011997538 556679374 /nfs/dbraw/zinc/67/93/74/556679374.db2.gz YJRCJZVPBSCVNP-UHFFFAOYSA-N 0 0 435.310 2.861 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1 ZINC000033326515 556682487 /nfs/dbraw/zinc/68/24/87/556682487.db2.gz FJUOSANGWWBRNN-OAHLLOKOSA-N 0 0 426.541 2.846 50 0 IFAARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1F)C1C=CC2[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000018059806 556682503 /nfs/dbraw/zinc/68/25/03/556682503.db2.gz ZAOKSCPLTUYESP-CNYLWQDDSA-N 0 0 434.398 2.692 50 0 IFAARN O=C1C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000018137036 556684753 /nfs/dbraw/zinc/68/47/53/556684753.db2.gz OQFXOSDQVDMIJR-GOSISDBHSA-N 0 0 430.302 2.609 50 0 IFAARN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1C ZINC000033021050 556685349 /nfs/dbraw/zinc/68/53/49/556685349.db2.gz ZAKCETIDKQUFGN-MRXNPFEDSA-N 0 0 443.525 2.674 50 0 IFAARN CCCCOC(=O)CCN1C(=O)/C(=C2/c3ccccc3N(C(C)=O)C2=O)SC1=S ZINC000002088019 556686110 /nfs/dbraw/zinc/68/61/10/556686110.db2.gz SDOWJAPIGWNAEZ-WUKNDPDISA-N 0 0 432.523 2.885 50 0 IFAARN CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)N3CCC4(CC3)OCCO4)c2)s1 ZINC000033022883 556688766 /nfs/dbraw/zinc/68/87/66/556688766.db2.gz CDWAYWBOGXKVGK-UHFFFAOYSA-N 0 0 430.530 2.968 50 0 IFAARN Cc1cc2ncn(C[C@H](O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)c2cc1C ZINC000071949256 556689139 /nfs/dbraw/zinc/68/91/39/556689139.db2.gz FUAMUSMYDLJIHB-CPJSRVTESA-N 0 0 432.524 2.970 50 0 IFAARN CCOC(=O)N1CCN(C(=O)Cc2c(C)nc3nc(-c4ccccc4C)nn3c2C)CC1 ZINC000046023845 556691217 /nfs/dbraw/zinc/69/12/17/556691217.db2.gz BUGACFQUYKNRLL-UHFFFAOYSA-N 0 0 436.516 2.560 50 0 IFAARN CCCn1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)ccc21 ZINC000033023424 556693231 /nfs/dbraw/zinc/69/32/31/556693231.db2.gz XKGYXAVJXBYROM-MRXNPFEDSA-N 0 0 433.578 2.691 50 0 IFAARN CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCc3ccc(C)o3)ccc21 ZINC000033023693 556693507 /nfs/dbraw/zinc/69/35/07/556693507.db2.gz YGIBLTDELXUFLG-HXUWFJFHSA-N 0 0 445.545 2.602 50 0 IFAARN CC[C@@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCCc3ccccc3)ccc21 ZINC000033023784 556693910 /nfs/dbraw/zinc/69/39/10/556693910.db2.gz DUYQCGNMDKBEOU-QGZVFWFLSA-N 0 0 443.573 2.772 50 0 IFAARN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)C2=O)cc1 ZINC000253415268 556696924 /nfs/dbraw/zinc/69/69/24/556696924.db2.gz STXPDPYAFAFEPZ-QTOVYKFTSA-N 0 0 445.566 2.602 50 0 IFAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccccc2F)C1 ZINC000072314578 556702607 /nfs/dbraw/zinc/70/26/07/556702607.db2.gz AFYOYOFNRLTETA-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN COCc1nnc(C(=O)Nc2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)s1 ZINC000033027526 556707259 /nfs/dbraw/zinc/70/72/59/556707259.db2.gz QHFYWYWHTOOILT-UHFFFAOYSA-N 0 0 437.525 2.899 50 0 IFAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCN4CCOCC4)c3n2)cc1 ZINC000019212156 556709732 /nfs/dbraw/zinc/70/97/32/556709732.db2.gz HGLXSURZEGPABE-UHFFFAOYSA-N 0 0 433.434 2.786 50 0 IFAARN O=C(CCn1ccc2ccc(F)cc21)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000013690665 556711654 /nfs/dbraw/zinc/71/16/54/556711654.db2.gz MJLCLPFFKWUEBS-JOCHJYFZSA-N 0 0 437.471 2.681 50 0 IFAARN COCc1nnc(C(=O)Nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)s1 ZINC000033032092 556712230 /nfs/dbraw/zinc/71/22/30/556712230.db2.gz CXLXTSASFCGRQQ-UHFFFAOYSA-N 0 0 426.454 2.596 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)CC1 ZINC000013704761 556713564 /nfs/dbraw/zinc/71/35/64/556713564.db2.gz LPNQMZSJKDMFCC-UHFFFAOYSA-N 0 0 433.511 2.527 50 0 IFAARN COc1cccc(N2CCN(C(=O)CC[C@@]3(Cc4cccs4)CCC(=O)N3)CC2=O)c1 ZINC000019224361 556716497 /nfs/dbraw/zinc/71/64/97/556716497.db2.gz OJMOEMMMMMYZFD-HSZRJFAPSA-N 0 0 441.553 2.604 50 0 IFAARN COc1ccc(C(=O)OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)c(OC)c1 ZINC000011133261 556718361 /nfs/dbraw/zinc/71/83/61/556718361.db2.gz SCURWYPNUOIIOJ-HNNXBMFYSA-N 0 0 435.498 2.521 50 0 IFAARN COC(=O)c1ccccc1NC(=O)N1CCN(c2ccc(=O)n(-c3ccc(C)cc3)n2)CC1 ZINC000033037872 556723638 /nfs/dbraw/zinc/72/36/38/556723638.db2.gz QWPLKDCXACPFSF-UHFFFAOYSA-N 0 0 447.495 2.682 50 0 IFAARN O=C(COC(=O)COc1ccc(I)cc1)Nc1cccc(F)c1 ZINC000072331019 556728686 /nfs/dbraw/zinc/72/86/86/556728686.db2.gz DQSVMRZAWPDAPG-UHFFFAOYSA-N 0 0 429.185 2.991 50 0 IFAARN Cc1ccc(CNC(=O)COC(=O)COc2ccc(I)cc2)cc1 ZINC000072330990 556728937 /nfs/dbraw/zinc/72/89/37/556728937.db2.gz ANPYFHZBWOMOIQ-UHFFFAOYSA-N 0 0 439.249 2.838 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc4c(c3)CCC4)CC2)cc1 ZINC000019289942 556729563 /nfs/dbraw/zinc/72/95/63/556729563.db2.gz YKOMLCXOENCTLP-UHFFFAOYSA-N 0 0 446.594 2.809 50 0 IFAARN COc1ccc2nc(NC(=O)[C@@H](C)NC(=O)N3CCN(c4ccccn4)CC3)sc2c1 ZINC000071328935 556730668 /nfs/dbraw/zinc/73/06/68/556730668.db2.gz YZKIGSYTLZLJMF-CQSZACIVSA-N 0 0 440.529 2.559 50 0 IFAARN CCOc1ccccc1CNC(=O)CN1C(=O)C(C)=C(c2ccc(C)c(C)c2)S1(=O)=O ZINC000033039918 556731604 /nfs/dbraw/zinc/73/16/04/556731604.db2.gz HCQNNMGADLTKRZ-UHFFFAOYSA-N 0 0 442.537 2.922 50 0 IFAARN COC(=O)c1cccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000055042292 556732659 /nfs/dbraw/zinc/73/26/59/556732659.db2.gz OEZORHIDWPQFMX-NRFANRHFSA-N 0 0 437.540 2.909 50 0 IFAARN C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000078879180 556735924 /nfs/dbraw/zinc/73/59/24/556735924.db2.gz YORXHAGGXQUURF-ICSRJNTNSA-N 0 0 431.552 2.828 50 0 IFAARN CS(=O)(=O)[C@@H]1CSCCN1C(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000078878716 556736024 /nfs/dbraw/zinc/73/60/24/556736024.db2.gz JPQSSBDYZVIIIZ-OAQYLSRUSA-N 0 0 445.566 2.561 50 0 IFAARN COc1cc2[nH]c(CCCNC(=O)[C@@H]3CSCN3C(=O)C3CCC3)cc2c(OC)c1 ZINC000079057516 556738081 /nfs/dbraw/zinc/73/80/81/556738081.db2.gz STGAJHNUDRJDJZ-IBGZPJMESA-N 0 0 431.558 2.936 50 0 IFAARN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)CC1 ZINC000055342654 556740499 /nfs/dbraw/zinc/74/04/99/556740499.db2.gz UQSRAPFGTPEXCH-KRWDZBQOSA-N 0 0 425.558 2.831 50 0 IFAARN CCN1CCN(C(=O)c2cc3c(nc4c(C)cccn4c3=O)n2Cc2ccccc2)CC1 ZINC000055565742 556742591 /nfs/dbraw/zinc/74/25/91/556742591.db2.gz DNFIDMMWKQZMEC-UHFFFAOYSA-N 0 0 429.524 2.784 50 0 IFAARN COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000055568916 556742600 /nfs/dbraw/zinc/74/26/00/556742600.db2.gz XMBPXMDEQWCWOY-VGTNWMPVSA-N 0 0 437.584 2.840 50 0 IFAARN Cc1ccc(S(=O)(=O)NN=c2ccc(S(=O)(=O)N(C(C)C)C(C)C)c[nH]2)cc1C ZINC000033048509 556745270 /nfs/dbraw/zinc/74/52/70/556745270.db2.gz WKSXDXTULLQBGX-UHFFFAOYSA-N 0 0 440.591 2.811 50 0 IFAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)o2)cc1 ZINC000019357305 556745356 /nfs/dbraw/zinc/74/53/56/556745356.db2.gz VAWPTLSCYRZNAB-QWHCGFSZSA-N 0 0 449.460 2.856 50 0 IFAARN CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(OC)ccc2OC)n(C)c1=O ZINC000005252048 556747434 /nfs/dbraw/zinc/74/74/34/556747434.db2.gz KWTBUSJEYABNEJ-CQSZACIVSA-N 0 0 427.505 2.502 50 0 IFAARN O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccc2c(c1)OCO2 ZINC000057487107 556747790 /nfs/dbraw/zinc/74/77/90/556747790.db2.gz CYPUMQWGRHMLBT-UHFFFAOYSA-N 0 0 446.419 2.979 50 0 IFAARN O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1)Nc1cccc(F)c1 ZINC000060369351 556749117 /nfs/dbraw/zinc/74/91/17/556749117.db2.gz PQPRQFBKFDUROV-WMZOPIPTSA-N 0 0 430.524 2.834 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)CC[C@H]3NC(=O)N(Cc4ccccc4)C3=O)c2c1 ZINC000206254224 556749692 /nfs/dbraw/zinc/74/96/92/556749692.db2.gz WCVRVQMWNNQTQY-OAQYLSRUSA-N 0 0 434.496 2.736 50 0 IFAARN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 ZINC000057984756 556750183 /nfs/dbraw/zinc/75/01/83/556750183.db2.gz IFIBYTFOZALUSK-GFCCVEGCSA-N 0 0 448.346 2.764 50 0 IFAARN CCOC(=O)c1ccn(-c2ccc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2)n1 ZINC000057986522 556750447 /nfs/dbraw/zinc/75/04/47/556750447.db2.gz XXZTUMFBUYXEFU-UHFFFAOYSA-N 0 0 434.452 2.951 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN[C@H](c2ccc(OC)c(OC)c2)C(F)(F)F)cc1 ZINC000057996315 556751693 /nfs/dbraw/zinc/75/16/93/556751693.db2.gz GDLRRDPCMOVITD-GOSISDBHSA-N 0 0 425.407 2.895 50 0 IFAARN COC(=O)COc1ccc(NC(=O)[C@H](C)NC(=O)/C=C/c2ccc(OC)cc2)c(C)c1 ZINC000058008898 556752877 /nfs/dbraw/zinc/75/28/77/556752877.db2.gz YQHXDAFYTBWXNT-MZTACXPWSA-N 0 0 426.469 2.712 50 0 IFAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c(C)o1 ZINC000058011445 556753395 /nfs/dbraw/zinc/75/33/95/556753395.db2.gz DKTBEWQZXQPTAR-UHFFFAOYSA-N 0 0 437.500 2.684 50 0 IFAARN NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H]1COc2ccccc2O1 ZINC000058022957 556754477 /nfs/dbraw/zinc/75/44/77/556754477.db2.gz UICYSBXMPDHHAG-HSZRJFAPSA-N 0 0 432.476 2.920 50 0 IFAARN COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000058029262 556754778 /nfs/dbraw/zinc/75/47/78/556754778.db2.gz MDUKUFPZHWRMFO-HXUWFJFHSA-N 0 0 432.542 2.767 50 0 IFAARN Cc1ccc2c(CC(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)cc(=O)oc2c1 ZINC000058025938 556754875 /nfs/dbraw/zinc/75/48/75/556754875.db2.gz BQWYEXFTBAVDJM-UHFFFAOYSA-N 0 0 426.419 2.907 50 0 IFAARN O=C(Cc1cccc(O)c1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000058055464 556755581 /nfs/dbraw/zinc/75/55/81/556755581.db2.gz DMPBLTZQAOYIKY-UHFFFAOYSA-N 0 0 429.325 2.775 50 0 IFAARN O=C(Cn1ncc2c1-c1ccccc1OC2)NCCN1CCN(c2ccccc2F)CC1 ZINC000058062435 556756220 /nfs/dbraw/zinc/75/62/20/556756220.db2.gz OUBOGDPLGKJZTH-UHFFFAOYSA-N 0 0 435.503 2.520 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(-c4cccnc4)on3)CC2)cc1 ZINC000058079531 556756663 /nfs/dbraw/zinc/75/66/63/556756663.db2.gz VMVHCVRPLZBFPS-UHFFFAOYSA-N 0 0 426.498 2.582 50 0 IFAARN O=C(NCc1ccccc1)NC1(C(=O)N2CCN(Cc3cscn3)CC2)CCCC1 ZINC000058139496 556760891 /nfs/dbraw/zinc/76/08/91/556760891.db2.gz ZQDFUYRPORGRMK-UHFFFAOYSA-N 0 0 427.574 2.600 50 0 IFAARN COc1cc2cc(C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)[nH]c2c(OC)c1 ZINC000058153989 556762253 /nfs/dbraw/zinc/76/22/53/556762253.db2.gz FNGRQPICSMPIPD-UHFFFAOYSA-N 0 0 440.475 2.721 50 0 IFAARN COc1ccc(N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)c3ncccc23)cc1 ZINC000058155927 556762470 /nfs/dbraw/zinc/76/24/70/556762470.db2.gz PTBQEADJHLVEHW-KRWDZBQOSA-N 0 0 446.550 2.934 50 0 IFAARN COC(=O)C[C@@H](NC(=O)Nc1cnc2c(c1)c(C)nn2C)c1ccc(OC)c(OC)c1 ZINC000058157745 556763288 /nfs/dbraw/zinc/76/32/88/556763288.db2.gz RQILQJRDSLNBNP-MRXNPFEDSA-N 0 0 427.461 2.720 50 0 IFAARN Cc1ccc(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)cc1S(C)(=O)=O ZINC000058157768 556763290 /nfs/dbraw/zinc/76/32/90/556763290.db2.gz DPUIDIDADORUOC-UHFFFAOYSA-N 0 0 432.567 2.769 50 0 IFAARN CCn1c(=O)c(C(=O)CN2CC=C(c3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000058159441 556763749 /nfs/dbraw/zinc/76/37/49/556763749.db2.gz CTLPYGZBCIRLQG-UHFFFAOYSA-N 0 0 444.535 2.632 50 0 IFAARN CCn1c(CN(C)Cc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000058161185 556764913 /nfs/dbraw/zinc/76/49/13/556764913.db2.gz ZRSJPPCIDLZKCY-UHFFFAOYSA-N 0 0 428.558 2.709 50 0 IFAARN COc1ccc(-c2cn(CC(=O)N3CCN(c4ccccc4OC)CC3)nc2N(C)C)cc1 ZINC000062006989 556765109 /nfs/dbraw/zinc/76/51/09/556765109.db2.gz PKUGDZVQXBLACQ-UHFFFAOYSA-N 0 0 449.555 2.982 50 0 IFAARN COc1cccc(OC)c1Oc1ccc(CNC(=O)N[C@H](C)C(=O)NC(C)(C)C)cn1 ZINC000058161372 556765143 /nfs/dbraw/zinc/76/51/43/556765143.db2.gz WQVKZILIQAXPFG-CQSZACIVSA-N 0 0 430.505 2.994 50 0 IFAARN COc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000058162372 556765905 /nfs/dbraw/zinc/76/59/05/556765905.db2.gz SYOHTSZABWDBHU-SFHVURJKSA-N 0 0 431.558 2.646 50 0 IFAARN Cc1nc(-c2cccc(NC(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cs1 ZINC000058166531 556766752 /nfs/dbraw/zinc/76/67/52/556766752.db2.gz GIGOMAOORFSWGM-ZIAGYGMSSA-N 0 0 438.575 2.679 50 0 IFAARN C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 ZINC000058166754 556766760 /nfs/dbraw/zinc/76/67/60/556766760.db2.gz ULKSDRODGYXFLV-CQSZACIVSA-N 0 0 429.908 2.797 50 0 IFAARN Cn1c2ccccc2n(CC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1=O ZINC000058168566 556767302 /nfs/dbraw/zinc/76/73/02/556767302.db2.gz HSMINLJUFOSAPZ-INIZCTEOSA-N 0 0 435.459 2.935 50 0 IFAARN CCN1C[C@H](CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)Oc2ccccc21 ZINC000058175563 556769357 /nfs/dbraw/zinc/76/93/57/556769357.db2.gz PSROFKSRRSBREX-KRWDZBQOSA-N 0 0 447.557 2.732 50 0 IFAARN COc1ccc(NC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1OC1CCCC1 ZINC000058175638 556769441 /nfs/dbraw/zinc/76/94/41/556769441.db2.gz KWRUZXOAEZMJFA-PXNSSMCTSA-N 0 0 433.549 2.875 50 0 IFAARN CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)C1 ZINC000058179519 556770013 /nfs/dbraw/zinc/77/00/13/556770013.db2.gz JEYQGAHUIIIDGH-HXUWFJFHSA-N 0 0 429.542 2.845 50 0 IFAARN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CSc2nncn2-c2ccc(OC)cc2)C1 ZINC000058195388 556770615 /nfs/dbraw/zinc/77/06/15/556770615.db2.gz PKOZUROUEBNCHX-IAGOWNOFSA-N 0 0 445.589 2.911 50 0 IFAARN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)CSc2nncn2-c2ccc(OC)cc2)C1 ZINC000058195386 556770620 /nfs/dbraw/zinc/77/06/20/556770620.db2.gz PKOZUROUEBNCHX-IRXDYDNUSA-N 0 0 445.589 2.911 50 0 IFAARN CC[C@](C)(CNC(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1)N1CCOCC1 ZINC000058216490 556772581 /nfs/dbraw/zinc/77/25/81/556772581.db2.gz CRXQQJGFRSIMTE-VGOFRKELSA-N 0 0 428.537 2.705 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000058216521 556772615 /nfs/dbraw/zinc/77/26/15/556772615.db2.gz XGSVVKTZCLAHGB-UHFFFAOYSA-N 0 0 447.333 2.654 50 0 IFAARN COc1ccc2cc(CN(C)C(=O)CN3C(=O)NC4(Cc5ccccc5C4)C3=O)ccc2c1 ZINC000058232137 556774333 /nfs/dbraw/zinc/77/43/33/556774333.db2.gz VMIAKXZDVSXJNF-UHFFFAOYSA-N 0 0 443.503 2.896 50 0 IFAARN CCN(c1cccc(CO)c1)S(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC ZINC000058245013 556775081 /nfs/dbraw/zinc/77/50/81/556775081.db2.gz ZPYJHWSQLFRQRN-MDZDMXLPSA-N 0 0 435.498 2.598 50 0 IFAARN CN(CCCNC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)S(C)(=O)=O ZINC000058289644 556777761 /nfs/dbraw/zinc/77/77/61/556777761.db2.gz JXOIRSIPEQHVGV-UHFFFAOYSA-N 0 0 428.530 2.748 50 0 IFAARN O=C([C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1ccccc1)N1CCSCC1 ZINC000058363154 556782908 /nfs/dbraw/zinc/78/29/08/556782908.db2.gz JJMRPUMYSOHZMK-SFHVURJKSA-N 0 0 434.608 2.993 50 0 IFAARN Cc1ccc(-c2nc(CCNS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)cs2)cc1 ZINC000058369076 556783371 /nfs/dbraw/zinc/78/33/71/556783371.db2.gz RNYBJGBFWBFTLE-UHFFFAOYSA-N 0 0 429.523 2.970 50 0 IFAARN O=C(COc1ccc2ccccc2c1Br)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000058379126 556784263 /nfs/dbraw/zinc/78/42/63/556784263.db2.gz MXYZFFGFUKIZIJ-GOSISDBHSA-N 0 0 447.329 2.831 50 0 IFAARN O=C(CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)OCc1ccccc1 ZINC000058405802 556785856 /nfs/dbraw/zinc/78/58/56/556785856.db2.gz NRBKWVDXPIPETA-QGZVFWFLSA-N 0 0 431.286 2.662 50 0 IFAARN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000058413522 556786653 /nfs/dbraw/zinc/78/66/53/556786653.db2.gz HKJXCKNHOJLGMP-UHFFFAOYSA-N 0 0 443.504 2.749 50 0 IFAARN C[C@@H](NC(=O)CSc1cccc[n+]1[O-])c1cc2c(cc1Br)OCCO2 ZINC000058417414 556787004 /nfs/dbraw/zinc/78/70/04/556787004.db2.gz BFYHNKZHDUDHLE-LLVKDONJSA-N 0 0 425.304 2.823 50 0 IFAARN Cc1[nH]c2c(cccc2C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1C ZINC000058433345 556788221 /nfs/dbraw/zinc/78/82/21/556788221.db2.gz SLDWBKYNJGOYGI-UHFFFAOYSA-N 0 0 427.526 2.736 50 0 IFAARN CN(C(=O)c1ccc(NC(=O)NCCCNS(C)(=O)=O)cc1Cl)C1CCCCC1 ZINC000058438426 556788437 /nfs/dbraw/zinc/78/84/37/556788437.db2.gz ABGPXVXQJJAYQV-UHFFFAOYSA-N 0 0 444.985 2.806 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCC(Cn2ccnc2)CC1 ZINC000062128717 556790654 /nfs/dbraw/zinc/79/06/54/556790654.db2.gz WKKCVIAPMQXQDR-MRXNPFEDSA-N 0 0 431.334 2.937 50 0 IFAARN COC(=O)c1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)oc1C ZINC000058744333 556791512 /nfs/dbraw/zinc/79/15/12/556791512.db2.gz KEOVJVSORHNVCX-GFCCVEGCSA-N 0 0 435.274 2.806 50 0 IFAARN NC(=O)[C@@H](NC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)c1cccc(Br)c1 ZINC000058751792 556791764 /nfs/dbraw/zinc/79/17/64/556791764.db2.gz NZKDUMVMICTASF-RISCZKNCSA-N 0 0 442.722 3.000 50 0 IFAARN Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)nn2)n1 ZINC000062163987 556797830 /nfs/dbraw/zinc/79/78/30/556797830.db2.gz LSFYHLTUTTWWPP-KRWDZBQOSA-N 0 0 434.500 2.905 50 0 IFAARN O=C(Cn1cnc2ccccc2c1=O)NCCn1ccc2ccc(Br)cc21 ZINC000072401054 556799778 /nfs/dbraw/zinc/79/97/78/556799778.db2.gz NRGYHHDBEZWBQM-UHFFFAOYSA-N 0 0 425.286 2.930 50 0 IFAARN CCOC(=O)C[C@H](c1cccc(OCc2ccccn2)c1)c1oc(CO)cc(=O)c1O ZINC000072401000 556799801 /nfs/dbraw/zinc/79/98/01/556799801.db2.gz ALYQIMDVNOAMFC-LJQANCHMSA-N 0 0 425.437 2.897 50 0 IFAARN O=C(NCCn1ccc2ccc(F)cc21)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000072401481 556800643 /nfs/dbraw/zinc/80/06/43/556800643.db2.gz CZKUJVDXMLNDOI-GOSISDBHSA-N 0 0 429.517 2.998 50 0 IFAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)CC1 ZINC000059759602 556804236 /nfs/dbraw/zinc/80/42/36/556804236.db2.gz BZOKNSWEUBCUBW-GOSISDBHSA-N 0 0 430.549 2.708 50 0 IFAARN CC(C)[C@@H](C(=O)N1CCC(C(=O)Nc2ccccn2)CC1)n1nnc(-c2ccccc2)n1 ZINC000060016587 556805811 /nfs/dbraw/zinc/80/58/11/556805811.db2.gz OWLWULCVYWVSKY-FQEVSTJZSA-N 0 0 433.516 2.810 50 0 IFAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc12 ZINC000003312426 556809796 /nfs/dbraw/zinc/80/97/96/556809796.db2.gz KHHSMBRVJNOUCJ-UHFFFAOYSA-N 0 0 442.493 2.903 50 0 IFAARN CC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O ZINC000003321569 556810108 /nfs/dbraw/zinc/81/01/08/556810108.db2.gz RCGXCTHMJQPCAC-INIZCTEOSA-N 0 0 429.258 2.586 50 0 IFAARN Cc1oc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1S(=O)(=O)Nc1ccc(C)cc1F ZINC000097940926 556811045 /nfs/dbraw/zinc/81/10/45/556811045.db2.gz WVUBCJQHPGEVBU-UHFFFAOYSA-N 0 0 448.476 2.699 50 0 IFAARN CSc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000061720607 556811244 /nfs/dbraw/zinc/81/12/44/556811244.db2.gz HLPUUMUSTBRQAE-UHFFFAOYSA-N 0 0 434.565 2.977 50 0 IFAARN COc1ccc(CNS(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N3CCCC3)oc2C)cc1 ZINC000097940854 556811509 /nfs/dbraw/zinc/81/15/09/556811509.db2.gz HUBKUQUHUNHRLB-UHFFFAOYSA-N 0 0 444.513 2.701 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1 ZINC000003361773 556811740 /nfs/dbraw/zinc/81/17/40/556811740.db2.gz JFLJQCHKOSRHJC-UHFFFAOYSA-N 0 0 426.502 2.742 50 0 IFAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5cccc(F)c5)CC4)c3CO2)cc1 ZINC000097943628 556813492 /nfs/dbraw/zinc/81/34/92/556813492.db2.gz DNZRNPLLJLQGHI-OAQYLSRUSA-N 0 0 449.486 2.595 50 0 IFAARN COc1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)c1OC ZINC000097943848 556814635 /nfs/dbraw/zinc/81/46/35/556814635.db2.gz PJRBKJYVXXBAHF-XMMPIXPASA-N 0 0 437.496 2.739 50 0 IFAARN COc1cc(CNC(=O)c2nnc(C(=O)Nc3ccccc3)s2)cc(OC)c1OC ZINC000033061205 556816730 /nfs/dbraw/zinc/81/67/30/556816730.db2.gz OGJKLDGOHVJWBN-UHFFFAOYSA-N 0 0 428.470 2.746 50 0 IFAARN COc1ccc(CNC(=O)CCc2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)cc1 ZINC000033062748 556817300 /nfs/dbraw/zinc/81/73/00/556817300.db2.gz NBBVCHDGGCRIBB-UHFFFAOYSA-N 0 0 449.916 2.955 50 0 IFAARN CCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccc5c(c4)OCO5)n3)c2C2CC2)CC1 ZINC000064053594 556822317 /nfs/dbraw/zinc/82/23/17/556822317.db2.gz JZWTUIDMTIOLEZ-UHFFFAOYSA-N 0 0 446.511 2.713 50 0 IFAARN CCCN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2COC)CC1 ZINC000064074197 556822844 /nfs/dbraw/zinc/82/28/44/556822844.db2.gz CBXCRGZOZTWIQI-UHFFFAOYSA-N 0 0 446.555 2.742 50 0 IFAARN COc1cc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C)CC2)cc(OC)c1OC ZINC000019589814 556824996 /nfs/dbraw/zinc/82/49/96/556824996.db2.gz OFOWWZVVCXWPFT-FQEVSTJZSA-N 0 0 430.553 2.541 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(C(=O)NCc4cccc(C)c4)nn3C)C2)cc1 ZINC000064893186 556828191 /nfs/dbraw/zinc/82/81/91/556828191.db2.gz JJJVJEDYWDTTAZ-UHFFFAOYSA-N 0 0 438.553 2.714 50 0 IFAARN Cc1ccnc(N2CCC(C(=O)NCCN3CCN(c4cccc(C)c4C)CC3)CC2)n1 ZINC000065001813 556830420 /nfs/dbraw/zinc/83/04/20/556830420.db2.gz DQKBGHUECVOYCO-UHFFFAOYSA-N 0 0 436.604 2.557 50 0 IFAARN O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)[C@@H](c1ccccc1)N1CCCCC1 ZINC000019634550 556834452 /nfs/dbraw/zinc/83/44/52/556834452.db2.gz VCXKDZLDDHHOFA-OAQYLSRUSA-N 0 0 441.553 2.886 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)CC2)cc1 ZINC000019637577 556836000 /nfs/dbraw/zinc/83/60/00/556836000.db2.gz QEDICTJJRMTJQY-UHFFFAOYSA-N 0 0 442.990 2.960 50 0 IFAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@H](c1c(F)cccc1F)CC(=O)N2 ZINC000065365823 556836248 /nfs/dbraw/zinc/83/62/48/556836248.db2.gz QGEGBZAFALDRHJ-CYBMUJFWSA-N 0 0 426.427 2.560 50 0 IFAARN C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(Cc4ccc(F)cc4)CC3)c2C(N)=O)C1 ZINC000019641492 556837451 /nfs/dbraw/zinc/83/74/51/556837451.db2.gz CXFROJBVTIJAMF-OAHLLOKOSA-N 0 0 444.576 2.867 50 0 IFAARN COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000062581769 556837900 /nfs/dbraw/zinc/83/79/00/556837900.db2.gz FWTYHJLMJQKXQW-UHFFFAOYSA-N 0 0 443.529 2.506 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000019643760 556838533 /nfs/dbraw/zinc/83/85/33/556838533.db2.gz CMTNIUMECFBOSR-UHFFFAOYSA-N 0 0 445.560 2.571 50 0 IFAARN COC(=O)c1nc(NC(=O)C2(n3cnnn3)CCCCC2)sc1-c1ccc(OC)cc1 ZINC000072405518 556840638 /nfs/dbraw/zinc/84/06/38/556840638.db2.gz KOKGIQGDCUPLRP-UHFFFAOYSA-N 0 0 442.501 2.890 50 0 IFAARN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000096689445 556840640 /nfs/dbraw/zinc/84/06/40/556840640.db2.gz PWJZIBYSUKSFIX-KRWDZBQOSA-N 0 0 434.496 2.951 50 0 IFAARN Cc1cc(C)n(CCc2nc3c4ccccc4n(CC(=O)Nc4ccccc4)c(=O)n3n2)n1 ZINC000062639793 556841433 /nfs/dbraw/zinc/84/14/33/556841433.db2.gz PZCDPSACBAQCMY-UHFFFAOYSA-N 0 0 441.495 2.739 50 0 IFAARN COc1ccc(C2(CNC(=O)c3cc(-n4cnnn4)ccc3Cl)CCOCC2)cc1 ZINC000072406180 556841911 /nfs/dbraw/zinc/84/19/11/556841911.db2.gz UOCPMGROYQEMRP-UHFFFAOYSA-N 0 0 427.892 2.803 50 0 IFAARN CSc1cccc(NC(=O)[C@@H](NC(=O)N2CCN(c3ncccn3)CC2)C(C)C)c1 ZINC000072406115 556841987 /nfs/dbraw/zinc/84/19/87/556841987.db2.gz UCAGHLIQEKQZGP-SFHVURJKSA-N 0 0 428.562 2.693 50 0 IFAARN COc1ccc(C)cc1/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000008734678 556842495 /nfs/dbraw/zinc/84/24/95/556842495.db2.gz JLRHGJBMQHPQTN-WEVVVXLNSA-N 0 0 446.525 2.685 50 0 IFAARN CCCn1c(COC(=O)C2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008720013 556843237 /nfs/dbraw/zinc/84/32/37/556843237.db2.gz FYMDPNQPZOFXBL-UHFFFAOYSA-N 0 0 435.546 2.701 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000096875451 556848076 /nfs/dbraw/zinc/84/80/76/556848076.db2.gz NAQBZKRVXKSBAR-UHFFFAOYSA-N 0 0 439.604 2.549 50 0 IFAARN COCCNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C ZINC000008886848 556850796 /nfs/dbraw/zinc/85/07/96/556850796.db2.gz BDLWWTCIAOLVEV-ZBFHGGJFSA-N 0 0 432.550 2.656 50 0 IFAARN COc1ccc(CCNC(=O)NC[C@H]2CN(c3ccc(OC)c(OC)c3)C(=O)O2)cc1 ZINC000008868440 556851573 /nfs/dbraw/zinc/85/15/73/556851573.db2.gz ZHKPIFSRONPBDO-SFHVURJKSA-N 0 0 429.473 2.580 50 0 IFAARN CCN(CC)C(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000033078798 556853917 /nfs/dbraw/zinc/85/39/17/556853917.db2.gz XASHFBGLGSQKCN-UHFFFAOYSA-N 0 0 438.528 2.628 50 0 IFAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N(C)CC(=O)NCc3ccc(C)cc3)c2)no1 ZINC000033077026 556854243 /nfs/dbraw/zinc/85/42/43/556854243.db2.gz JOCRVVXKRUNCRW-UHFFFAOYSA-N 0 0 428.514 2.599 50 0 IFAARN COc1ccc(-n2c(N)c3c(C)nnc-3nc2SCc2cc(=O)n3ccccc3n2)cc1 ZINC000004654495 556857432 /nfs/dbraw/zinc/85/74/32/556857432.db2.gz MOEHPBQYFZIHLS-UHFFFAOYSA-N 0 0 445.508 2.845 50 0 IFAARN O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CC[NH2+]CC1)N1CCCCCC1 ZINC000033121096 556862645 /nfs/dbraw/zinc/86/26/45/556862645.db2.gz SEMHHXRMNGERKN-UHFFFAOYSA-N 0 0 448.614 2.975 50 0 IFAARN Cc1cccc(NC(=O)CN2c3cc(S(=O)(=O)N(C)C)sc3SCC2=O)c1C ZINC000033131548 556872191 /nfs/dbraw/zinc/87/21/91/556872191.db2.gz FLTQPLQONVTMPH-UHFFFAOYSA-N 0 0 439.584 2.693 50 0 IFAARN Cc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N(C)C)sc3SCC2=O)c(C)c1 ZINC000033131557 556872247 /nfs/dbraw/zinc/87/22/47/556872247.db2.gz FBKHVNYRIJCMKL-UHFFFAOYSA-N 0 0 439.584 2.693 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(=O)NCc1cscn1 ZINC000033138998 556872899 /nfs/dbraw/zinc/87/28/99/556872899.db2.gz IAXKJZZGDVDTTD-JTQLQIEISA-N 0 0 426.010 2.574 50 0 IFAARN O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000011227712 556876280 /nfs/dbraw/zinc/87/62/80/556876280.db2.gz XVODQJCAJBMEKC-UHFFFAOYSA-N 0 0 432.918 2.830 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc(C)cc2C)c1=O ZINC000033140942 556876715 /nfs/dbraw/zinc/87/67/15/556876715.db2.gz XLTLAVPHMZOPND-UHFFFAOYSA-N 0 0 441.557 2.885 50 0 IFAARN COc1cc(OC)c(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OC)c1 ZINC000033155146 556878809 /nfs/dbraw/zinc/87/88/09/556878809.db2.gz ZLOIXHXTOZAVGR-GZTJUZNOSA-N 0 0 425.441 2.552 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(=O)C3CC3)cc2)CC1 ZINC000033171150 556882039 /nfs/dbraw/zinc/88/20/39/556882039.db2.gz LUEIBILBBOHYHX-WDZFZDKYSA-N 0 0 444.557 2.828 50 0 IFAARN Cc1oc(-c2ccccc2)nc1Cn1nnc(C(=O)Nc2ccc3c(c2)OCCO3)c1N ZINC000033169955 556885272 /nfs/dbraw/zinc/88/52/72/556885272.db2.gz SGQUKDIBTFYZCW-UHFFFAOYSA-N 0 0 432.440 2.896 50 0 IFAARN Cc1cc(N2CCN(C(=O)CS(=O)(=O)CCCc3ccccc3)CC2)nc(C(C)C)n1 ZINC000033223756 556888533 /nfs/dbraw/zinc/88/85/33/556888533.db2.gz MUYUEAODNJBIHV-UHFFFAOYSA-N 0 0 444.601 2.605 50 0 IFAARN Cc1cc(NC(=O)CN2CCN(C(=O)CCCc3ncc(-c4ccccc4)o3)CC2)no1 ZINC000033228869 556888560 /nfs/dbraw/zinc/88/85/60/556888560.db2.gz UKRSEUYKZQEKIV-UHFFFAOYSA-N 0 0 437.500 2.744 50 0 IFAARN COc1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(F)cc32)cc1 ZINC000033249299 556888990 /nfs/dbraw/zinc/88/89/90/556888990.db2.gz AOHKOADXHBUJCE-UHFFFAOYSA-N 0 0 430.457 2.688 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3ccc(C)o3)CC2)cc1 ZINC000033254634 556890778 /nfs/dbraw/zinc/89/07/78/556890778.db2.gz XEDWLZKEBIWZCR-UHFFFAOYSA-N 0 0 433.530 2.654 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)N[C@@H](C)Cc3ccco3)CC2)cc1 ZINC000033254639 556890800 /nfs/dbraw/zinc/89/08/00/556890800.db2.gz LZMRYMGVKDVBJA-INIZCTEOSA-N 0 0 447.557 2.776 50 0 IFAARN Cn1c(=O)oc2cc(S(=O)(=O)CCC(=O)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000033250226 556891255 /nfs/dbraw/zinc/89/12/55/556891255.db2.gz AGXPZWMIEBCVRT-UHFFFAOYSA-N 0 0 428.388 2.953 50 0 IFAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC000033250753 556891709 /nfs/dbraw/zinc/89/17/09/556891709.db2.gz JQZHHPFFQYWJAE-YCABEKBOSA-N 0 0 433.505 2.972 50 0 IFAARN CC1CCN(c2ccc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)nn2)CC1 ZINC000033256243 556895356 /nfs/dbraw/zinc/89/53/56/556895356.db2.gz BSVOJTCPFXPLFG-UHFFFAOYSA-N 0 0 437.544 2.974 50 0 IFAARN COCC(=O)Nc1ccc2nc(N3CC[NH+](C4CCCCC4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260716 556897346 /nfs/dbraw/zinc/89/73/46/556897346.db2.gz MVFBLVWSCMSKSA-UHFFFAOYSA-N 0 0 426.517 2.973 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(N4CCOCC4)nn3)C2)cc1 ZINC000033261692 556899566 /nfs/dbraw/zinc/89/95/66/556899566.db2.gz TUOAOSMOHRMWEA-HXUWFJFHSA-N 0 0 439.560 2.633 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(N4CCOCC4)nn3)C2)cc1 ZINC000033261693 556899575 /nfs/dbraw/zinc/89/95/75/556899575.db2.gz TUOAOSMOHRMWEA-FQEVSTJZSA-N 0 0 439.560 2.633 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc3ccc(Sc4cccc(F)c4)nn3c2=O)cc1 ZINC000033261788 556899824 /nfs/dbraw/zinc/89/98/24/556899824.db2.gz UWQVTKPSWFWYNY-UHFFFAOYSA-N 0 0 439.472 2.506 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)cc1 ZINC000033262171 556900234 /nfs/dbraw/zinc/90/02/34/556900234.db2.gz QMUSFZWXLMVIKX-CQSZACIVSA-N 0 0 430.486 2.718 50 0 IFAARN Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)o2)n[nH]1 ZINC000033262149 556900266 /nfs/dbraw/zinc/90/02/66/556900266.db2.gz GTPUZWWDFQBQSJ-UHFFFAOYSA-N 0 0 446.504 2.834 50 0 IFAARN CCCn1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCC(C)CC4)C3)ccc21 ZINC000033262694 556900928 /nfs/dbraw/zinc/90/09/28/556900928.db2.gz NFKPDEABMBKKJE-QGZVFWFLSA-N 0 0 433.578 2.501 50 0 IFAARN CC(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033263174 556901341 /nfs/dbraw/zinc/90/13/41/556901341.db2.gz JBPWRUMCBZWEBG-CQSZACIVSA-N 0 0 447.536 2.944 50 0 IFAARN O=C(Nc1ccc(F)cc1)c1nnc(C(=O)N2CCC[C@H](C(=O)N3CCCCC3)C2)s1 ZINC000033263205 556901408 /nfs/dbraw/zinc/90/14/08/556901408.db2.gz FKCLRJGNLPSFIV-AWEZNQCLSA-N 0 0 445.520 2.794 50 0 IFAARN Cc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)c1 ZINC000033262342 556902058 /nfs/dbraw/zinc/90/20/58/556902058.db2.gz ACXCOIXCYJHJIH-KRWDZBQOSA-N 0 0 428.514 2.695 50 0 IFAARN Cc1csc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)n1 ZINC000019798716 556916816 /nfs/dbraw/zinc/91/68/16/556916816.db2.gz WWHIGVTZLAOLNZ-UHFFFAOYSA-N 0 0 430.559 2.595 50 0 IFAARN O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019817559 556920208 /nfs/dbraw/zinc/92/02/08/556920208.db2.gz LGMMLZHDHGLVGR-MAUKXSAKSA-N 0 0 434.452 2.861 50 0 IFAARN CSc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(C)cc2)cc1 ZINC000019831786 556927090 /nfs/dbraw/zinc/92/70/90/556927090.db2.gz BYJHLCNOGOTPRL-UHFFFAOYSA-N 0 0 433.599 2.686 50 0 IFAARN CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCN2CCOCC2)c1=O ZINC000019862596 556933906 /nfs/dbraw/zinc/93/39/06/556933906.db2.gz LBNDABFDPFDXRT-UHFFFAOYSA-N 0 0 432.524 2.659 50 0 IFAARN O=C(OCCN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1cccc2ccccc21 ZINC000019866507 556934401 /nfs/dbraw/zinc/93/44/01/556934401.db2.gz GLZZTZQZJKNIPE-UHFFFAOYSA-N 0 0 449.532 2.763 50 0 IFAARN COc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCOCC2)cc1 ZINC000019897852 556940981 /nfs/dbraw/zinc/94/09/81/556940981.db2.gz NVWDQRQDZRPILY-IBGZPJMESA-N 0 0 430.501 2.524 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000019900203 556941681 /nfs/dbraw/zinc/94/16/81/556941681.db2.gz ITOWPZINFBBHIM-QFIPXVFZSA-N 0 0 441.597 2.740 50 0 IFAARN O=c1oc2cc(OC[C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc2c2c1CCC2 ZINC000019909142 556942933 /nfs/dbraw/zinc/94/29/33/556942933.db2.gz RFPWAMWRGZQAEG-LJQANCHMSA-N 0 0 438.499 2.983 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000019924612 556944503 /nfs/dbraw/zinc/94/45/03/556944503.db2.gz OECKKKKSZMMKNP-UHFFFAOYSA-N 0 0 428.436 2.570 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OCC ZINC000019928910 556946888 /nfs/dbraw/zinc/94/68/88/556946888.db2.gz LLTAMQYEAMMNGU-UHFFFAOYSA-N 0 0 448.541 2.719 50 0 IFAARN CCc1ccccc1N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(C)(=O)=O ZINC000019938267 556952241 /nfs/dbraw/zinc/95/22/41/556952241.db2.gz BADLXOJIJXDIJR-FMIVXFBMSA-N 0 0 441.597 2.873 50 0 IFAARN COc1ccc(CCN2C(=O)[C@@](NC(C)=O)(C(F)(F)F)N=C2c2ccccc2)cc1OC ZINC000019939464 556953336 /nfs/dbraw/zinc/95/33/36/556953336.db2.gz JZKGRGFQTZXXMK-NRFANRHFSA-N 0 0 449.429 2.930 50 0 IFAARN COCCn1c(CN2CCN(c3ccccc3)CC2)cnc1S(=O)(=O)CCC(C)C ZINC000019939835 556953366 /nfs/dbraw/zinc/95/33/66/556953366.db2.gz JMRKLIDSJLIPIU-UHFFFAOYSA-N 0 0 434.606 2.672 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCc3csc(-c4cccnc4)n3)ccc21 ZINC000019942469 556953576 /nfs/dbraw/zinc/95/35/76/556953576.db2.gz IJSPNGROJDMNBI-UHFFFAOYSA-N 0 0 428.539 2.635 50 0 IFAARN CCCCn1c(N)c(N(C)C(=O)Cc2csc(-c3ccc(C)cc3)n2)c(=O)[nH]c1=O ZINC000020004831 556957994 /nfs/dbraw/zinc/95/79/94/556957994.db2.gz MSZCOOCVCYVIFG-UHFFFAOYSA-N 0 0 427.530 2.556 50 0 IFAARN Cn1c2nc(CN3CCc4ccccc4C3)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000020029388 556968475 /nfs/dbraw/zinc/96/84/75/556968475.db2.gz COLBYAUGEIQCEY-UHFFFAOYSA-N 0 0 449.942 2.694 50 0 IFAARN CCN(CC)C(=O)CSc1ncc2c(n1)-c1cc(Cl)ccc1N(C)S2(=O)=O ZINC000033265363 556975570 /nfs/dbraw/zinc/97/55/70/556975570.db2.gz JBLRWNJVIUAZQK-UHFFFAOYSA-N 0 0 426.951 2.896 50 0 IFAARN Cc1nnc(S[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)s1 ZINC000020102677 556980782 /nfs/dbraw/zinc/98/07/82/556980782.db2.gz CLFFPAHQYWGYNT-INIZCTEOSA-N 0 0 434.568 2.644 50 0 IFAARN CSCC[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC(C)C ZINC000043732382 556981473 /nfs/dbraw/zinc/98/14/73/556981473.db2.gz XETHEVMKXOHDGK-TWOQFEAHSA-N 0 0 435.615 2.798 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccccc3)c2=O)c(OC)c1 ZINC000020130890 556987842 /nfs/dbraw/zinc/98/78/42/556987842.db2.gz KAXBGJGVBXLJMY-UHFFFAOYSA-N 0 0 445.475 2.867 50 0 IFAARN COc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H]2[C@@H](NC(=O)c2cccs2)C3)cc1Cl ZINC000097124121 556990822 /nfs/dbraw/zinc/99/08/22/556990822.db2.gz ZHVNBJXSHMPSER-BYCMXARLSA-N 0 0 426.947 2.992 50 0 IFAARN COc1ccc(-c2nc3c(c(=O)[nH]2)CCN(S(=O)(=O)c2cccc4cccnc42)C3)cc1 ZINC000097138517 556991649 /nfs/dbraw/zinc/99/16/49/556991649.db2.gz FFUWDGPPUZGGKA-UHFFFAOYSA-N 0 0 448.504 2.741 50 0 IFAARN Cc1[nH]c(=O)sc1S(=O)(=O)NCCNc1nc(-c2cccs2)nc2ccccc21 ZINC000097143612 556992199 /nfs/dbraw/zinc/99/21/99/556992199.db2.gz IRJZTSMZGXOIRN-UHFFFAOYSA-N 0 0 447.567 2.807 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCc3c(nc(-c4ccc(OC)cc4)[nH]c3=O)C2)cc1 ZINC000097151739 556993039 /nfs/dbraw/zinc/99/30/39/556993039.db2.gz QAJZQYMRJFWMEZ-UHFFFAOYSA-N 0 0 441.509 2.591 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000023074160 556993554 /nfs/dbraw/zinc/99/35/54/556993554.db2.gz UHLXVTQTXAMCAI-HXUWFJFHSA-N 0 0 446.525 2.706 50 0 IFAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4cc5ccccc5[nH]c4=O)CC3)n2)cc1 ZINC000023078256 556995968 /nfs/dbraw/zinc/99/59/68/556995968.db2.gz MJICFCWPWJCVSD-UHFFFAOYSA-N 0 0 429.480 2.845 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCC[C@H](C)C3)CC2)cc1C ZINC000023077381 556996032 /nfs/dbraw/zinc/99/60/32/556996032.db2.gz CSHLRSTTYWUISJ-INIZCTEOSA-N 0 0 436.574 2.506 50 0 IFAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000010677615 556997626 /nfs/dbraw/zinc/99/76/26/556997626.db2.gz UPHUKMUPLYZUCW-UHFFFAOYSA-N 0 0 438.553 2.932 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2n(CC)c1=O ZINC000020214963 556999277 /nfs/dbraw/zinc/99/92/77/556999277.db2.gz NGBXWMGELUORKN-UHFFFAOYSA-N 0 0 442.585 2.971 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000023107022 557001659 /nfs/dbraw/zinc/00/16/59/557001659.db2.gz QVFVXIULFDFDAD-LJQANCHMSA-N 0 0 431.920 2.785 50 0 IFAARN Cc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(Br)cc4)sc3nc2=O)cc1 ZINC000020233268 557001998 /nfs/dbraw/zinc/00/19/98/557001998.db2.gz PSAQAFKNHRKBJK-GZTJUZNOSA-N 0 0 440.322 2.721 50 0 IFAARN COc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCOCC2)cc1 ZINC000023107585 557002123 /nfs/dbraw/zinc/00/21/23/557002123.db2.gz ZWTZCODSWDRQSK-HSZRJFAPSA-N 0 0 433.508 2.977 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)Cc2ccccc2)c(C)c1 ZINC000020236046 557002368 /nfs/dbraw/zinc/00/23/68/557002368.db2.gz YDXZJEVWXIIMLR-UHFFFAOYSA-N 0 0 429.586 2.577 50 0 IFAARN COc1cccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCOCC2)c1 ZINC000023107685 557002472 /nfs/dbraw/zinc/00/24/72/557002472.db2.gz KWLRNCYRTHIHFR-HSZRJFAPSA-N 0 0 433.508 2.977 50 0 IFAARN COc1ccc(CCNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c(OC)c1 ZINC000020247353 557003124 /nfs/dbraw/zinc/00/31/24/557003124.db2.gz GLBMTDRXOQGZSK-UHFFFAOYSA-N 0 0 440.452 2.963 50 0 IFAARN O=C(NCC1(c2ccccc2)CCCCC1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000020272544 557004919 /nfs/dbraw/zinc/00/49/19/557004919.db2.gz SESMMODEEUXTID-QFIPXVFZSA-N 0 0 441.616 2.966 50 0 IFAARN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(F)cc2)N(CCN2CCOCC2)C1=O ZINC000020308472 557006710 /nfs/dbraw/zinc/00/67/10/557006710.db2.gz UTTGJNPAUKBYJK-NRFANRHFSA-N 0 0 438.455 2.818 50 0 IFAARN O=C(NCCN1CCOCC1)[C@@H](NC(=O)C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000020389981 557012455 /nfs/dbraw/zinc/01/24/55/557012455.db2.gz DZFPLIIZILEVQH-HUUFRCNWSA-N 0 0 431.621 2.716 50 0 IFAARN CCOc1ccc(-n2nnc3c2ncn(Cc2nc(-c4ccc(F)cc4)no2)c3=O)cc1 ZINC000045971143 557013995 /nfs/dbraw/zinc/01/39/95/557013995.db2.gz AMNFUYUXQYUCHJ-UHFFFAOYSA-N 0 0 433.403 2.613 50 0 IFAARN COc1cc2c(cc1OC)CN(C[C@@H](O)COc1ccc3c(C)cc(=O)oc3c1)CC2 ZINC000020426923 557015714 /nfs/dbraw/zinc/01/57/14/557015714.db2.gz FVSCOYXHVFTUGN-GOSISDBHSA-N 0 0 425.481 2.917 50 0 IFAARN COc1ccccc1NC(=O)Cn1nc(SC)c(S(=O)(=O)c2ccccc2)c1N ZINC000045986763 557016137 /nfs/dbraw/zinc/01/61/37/557016137.db2.gz VAPGRGWRGBSXHS-UHFFFAOYSA-N 0 0 432.527 2.667 50 0 IFAARN CSc1nn(CC(=O)Nc2cc(F)ccc2F)c(N)c1S(=O)(=O)c1ccccc1 ZINC000045986736 557016211 /nfs/dbraw/zinc/01/62/11/557016211.db2.gz SKDVACANONUPDP-UHFFFAOYSA-N 0 0 438.481 2.937 50 0 IFAARN CCOc1ccccc1NC(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 ZINC000023135203 557017839 /nfs/dbraw/zinc/01/78/39/557017839.db2.gz KQWCIFDYUJIHFX-UHFFFAOYSA-N 0 0 425.468 2.550 50 0 IFAARN Cn1ncc2c1ncn(CC(=O)NC[C@H](c1c[nH]c3ccccc31)c1ccccc1)c2=O ZINC000010700178 557019192 /nfs/dbraw/zinc/01/91/92/557019192.db2.gz HJOGVPGAAVKKED-SFHVURJKSA-N 0 0 426.480 2.560 50 0 IFAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cncc(Br)c1 ZINC000010707465 557019422 /nfs/dbraw/zinc/01/94/22/557019422.db2.gz DSXLPGYVXFLVMK-UHFFFAOYSA-N 0 0 426.336 2.602 50 0 IFAARN COCCNC(=O)Cn1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)CSC2 ZINC000023138992 557020771 /nfs/dbraw/zinc/02/07/71/557020771.db2.gz AOXLOJPQIDFNSW-UHFFFAOYSA-N 0 0 429.329 2.952 50 0 IFAARN O=C(Cc1ccccc1Cl)Nc1c2c(nn1CC(=O)NC[C@@H]1CCCO1)CSC2 ZINC000023139175 557020870 /nfs/dbraw/zinc/02/08/70/557020870.db2.gz OODTZVKIFMPMLE-AWEZNQCLSA-N 0 0 434.949 2.760 50 0 IFAARN C[C@H](c1ccc2c(c1)OCCCO2)N(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C1CC1 ZINC000072274684 557021084 /nfs/dbraw/zinc/02/10/84/557021084.db2.gz ZEJWSNKLFPCMHR-QKFKETGDSA-N 0 0 427.501 2.620 50 0 IFAARN CC(=O)N1CCSc2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc21 ZINC000032943759 557021458 /nfs/dbraw/zinc/02/14/58/557021458.db2.gz ACPUCRDWJXAEGN-UHFFFAOYSA-N 0 0 435.546 2.795 50 0 IFAARN CCCNC(=O)Cn1nc2c(c1NC(=O)C(=O)c1c(C)[nH]c3ccccc31)CSC2 ZINC000023138795 557022066 /nfs/dbraw/zinc/02/20/66/557022066.db2.gz FFKJWMKIJGDIOB-UHFFFAOYSA-N 0 0 425.514 2.767 50 0 IFAARN CN1CCN(C(=O)c2cc(-c3cccs3)n(CC(=O)Nc3ccc(F)cc3F)n2)CC1 ZINC000023142238 557024670 /nfs/dbraw/zinc/02/46/70/557024670.db2.gz SSCMIZJCDJOUSY-UHFFFAOYSA-N 0 0 445.495 2.916 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)NCCN2CCN(c3ccccc3F)CC2)c1C ZINC000046046083 557025744 /nfs/dbraw/zinc/02/57/44/557025744.db2.gz CLVPDEGUBBPSKZ-UHFFFAOYSA-N 0 0 444.551 2.818 50 0 IFAARN C[C@H](Sc1nncn1C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000010800097 557027261 /nfs/dbraw/zinc/02/72/61/557027261.db2.gz OJCVOGQGCZDWKX-LBPRGKRZSA-N 0 0 443.982 2.762 50 0 IFAARN COc1ccccc1-n1ccn2c(S[C@@H](C)C(=O)NCc3cccs3)nnc2c1=O ZINC000046047112 557028131 /nfs/dbraw/zinc/02/81/31/557028131.db2.gz TZKJQBATDZBYMV-ZDUSSCGKSA-N 0 0 441.538 2.747 50 0 IFAARN O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)N1CCc2sccc2C1 ZINC000022182987 557030831 /nfs/dbraw/zinc/03/08/31/557030831.db2.gz NFFYDRUFKPAPTH-UHFFFAOYSA-N 0 0 434.521 2.981 50 0 IFAARN Cc1ccc(C)c(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000010826313 557031535 /nfs/dbraw/zinc/03/15/35/557031535.db2.gz CRBJDWCIJFYAQN-UHFFFAOYSA-N 0 0 427.570 2.737 50 0 IFAARN Cn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccccc1OC(F)F ZINC000032946594 557032339 /nfs/dbraw/zinc/03/23/39/557032339.db2.gz FGCMPYIXSXXAQW-UHFFFAOYSA-N 0 0 442.469 2.553 50 0 IFAARN COc1cc(Cl)c(C)cc1NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000010833736 557033058 /nfs/dbraw/zinc/03/30/58/557033058.db2.gz CZSAWLYGOSMZDX-CQSZACIVSA-N 0 0 426.922 2.878 50 0 IFAARN O=C(CCN(c1nccs1)S(=O)(=O)c1ccccc1)NC(=O)NCc1ccccc1 ZINC000010844703 557034884 /nfs/dbraw/zinc/03/48/84/557034884.db2.gz MHVOTBBHMJYZBN-UHFFFAOYSA-N 0 0 444.538 2.755 50 0 IFAARN CC(C)[C@@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O ZINC000032947205 557039113 /nfs/dbraw/zinc/03/91/13/557039113.db2.gz RCZKUKOBUCVMPP-VXGBXAGGSA-N 0 0 442.379 2.793 50 0 IFAARN COc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000046145061 557043002 /nfs/dbraw/zinc/04/30/02/557043002.db2.gz OSOCKUPYMCSVOC-UHFFFAOYSA-N 0 0 448.541 2.604 50 0 IFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(Br)o3)CC2)cc1 ZINC000046145326 557043568 /nfs/dbraw/zinc/04/35/68/557043568.db2.gz IADLDLXWPSQISH-UHFFFAOYSA-N 0 0 443.319 2.634 50 0 IFAARN CCCCS(=O)(=O)c1cc2c(cc1NC(=O)c1cccc(OC)c1)n(C)c(=O)n2C ZINC000046146157 557044270 /nfs/dbraw/zinc/04/42/70/557044270.db2.gz ZUVQDXREKSEAPE-UHFFFAOYSA-N 0 0 431.514 2.712 50 0 IFAARN CCCCS(=O)(=O)c1cc2c(cc1NC(=O)Cc1ccc(C)cc1)n(C)c(=O)n2C ZINC000046146187 557044527 /nfs/dbraw/zinc/04/45/27/557044527.db2.gz PPYNCDLGBIACRA-UHFFFAOYSA-N 0 0 429.542 2.940 50 0 IFAARN O=C(Cc1csc(-c2ccco2)n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000024615935 557045715 /nfs/dbraw/zinc/04/57/15/557045715.db2.gz UGRXCMKBEUIPQQ-UHFFFAOYSA-N 0 0 435.502 2.618 50 0 IFAARN O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCCc1c[nH]c2ccccc12 ZINC000017295955 557046470 /nfs/dbraw/zinc/04/64/70/557046470.db2.gz AJYQHWZSEWQMRL-UHFFFAOYSA-N 0 0 426.480 2.882 50 0 IFAARN Cc1cc(C)n(C[C@H](C)CNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)n1 ZINC000048236954 557047556 /nfs/dbraw/zinc/04/75/56/557047556.db2.gz RFNRBQQCVIRMBL-GYCJOSAFSA-N 0 0 437.544 2.641 50 0 IFAARN O=C(NCc1cccnc1Oc1cccc(F)c1)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000048247866 557048190 /nfs/dbraw/zinc/04/81/90/557048190.db2.gz YUHZSORBKKLYCV-UHFFFAOYSA-N 0 0 436.447 2.666 50 0 IFAARN C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000048248820 557048292 /nfs/dbraw/zinc/04/82/92/557048292.db2.gz VZTKCKDLXAETPI-OXQOHEQNSA-N 0 0 449.598 2.933 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000048248816 557048358 /nfs/dbraw/zinc/04/83/58/557048358.db2.gz VZTKCKDLXAETPI-OXJNMPFZSA-N 0 0 449.598 2.933 50 0 IFAARN CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)ccc1Cl ZINC000048263805 557050147 /nfs/dbraw/zinc/05/01/47/557050147.db2.gz FJZDLJWQKLVEKS-SFHVURJKSA-N 0 0 449.960 2.684 50 0 IFAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)NC[C@@H]4CCCO4)CC3)s2)cc1 ZINC000033273047 557050993 /nfs/dbraw/zinc/05/09/93/557050993.db2.gz YJJWFUPYHNPWJW-KRWDZBQOSA-N 0 0 445.545 2.867 50 0 IFAARN O=C(Nc1ccccc1F)c1nnc(C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)s1 ZINC000033273171 557051150 /nfs/dbraw/zinc/05/11/50/557051150.db2.gz BBDBBHGLUSYJSN-AWEZNQCLSA-N 0 0 433.509 2.998 50 0 IFAARN C[C@@H]1CN(c2ccc(NC(=O)NCc3ccnc(N4CCOCC4)c3)cc2F)C[C@@H](C)O1 ZINC000048250199 557051527 /nfs/dbraw/zinc/05/15/27/557051527.db2.gz NLTRGIBTXRPNKL-IAGOWNOFSA-N 0 0 443.523 2.993 50 0 IFAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)NCc3cccnc3-n3cccn3)c2)n1 ZINC000048252230 557051884 /nfs/dbraw/zinc/05/18/84/557051884.db2.gz DWINKPGRTIYMMC-UHFFFAOYSA-N 0 0 431.456 2.951 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2Cc2ccccc2)C[C@H](C)O1 ZINC000048254010 557052593 /nfs/dbraw/zinc/05/25/93/557052593.db2.gz NGODZMZVKPYIJB-HDICACEKSA-N 0 0 431.558 2.838 50 0 IFAARN NC(=O)C1CCN(c2nc3ccccc3nc2S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000033273873 557053192 /nfs/dbraw/zinc/05/31/92/557053192.db2.gz WYPFNDYLSFNKSN-UHFFFAOYSA-N 0 0 444.944 2.959 50 0 IFAARN NC(=O)c1cn(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c2ccccc12 ZINC000048287889 557053652 /nfs/dbraw/zinc/05/36/52/557053652.db2.gz GVBWAHXWHNTMHI-NRFANRHFSA-N 0 0 440.931 2.583 50 0 IFAARN CCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2F)ccc1N1CC[NH2+]CC1 ZINC000033275439 557054316 /nfs/dbraw/zinc/05/43/16/557054316.db2.gz VPXGEFCTBRBHDY-UHFFFAOYSA-N 0 0 448.564 2.908 50 0 IFAARN Cc1ccc(OC[C@H](O)CN2CCN(C[C@@H](O)COc3ccc(C)c(C)c3)CC2)cc1C ZINC000022942683 557054413 /nfs/dbraw/zinc/05/44/13/557054413.db2.gz IBBXPASVZXULQY-DNQXCXABSA-N 0 0 442.600 2.717 50 0 IFAARN Cc1ccc(C(=O)N2CCN(Cc3nc4cc(C(=O)N(C)C)ccc4n3C)CC2)cc1C ZINC000033275534 557054689 /nfs/dbraw/zinc/05/46/89/557054689.db2.gz FMRRKKOUXSZKTC-UHFFFAOYSA-N 0 0 433.556 2.850 50 0 IFAARN O=C(Cn1c2ccccc2n(C2=CCCCC2)c1=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000048275966 557056305 /nfs/dbraw/zinc/05/63/05/557056305.db2.gz SZRFQVQWUBTPBC-SFHVURJKSA-N 0 0 432.528 2.793 50 0 IFAARN COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)NCCC(C)C ZINC000033276598 557057070 /nfs/dbraw/zinc/05/70/70/557057070.db2.gz PGJCBWHONQHMDN-UHFFFAOYSA-N 0 0 434.518 2.564 50 0 IFAARN CCc1nc(-c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)cc2)no1 ZINC000033276824 557057446 /nfs/dbraw/zinc/05/74/46/557057446.db2.gz GVJHCZPKWWKYCU-UHFFFAOYSA-N 0 0 432.546 2.759 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c(CC)c(C)nc1-n1nc(C)cc1C ZINC000017317030 557057623 /nfs/dbraw/zinc/05/76/23/557057623.db2.gz YBZXZFSVRFBTSF-UHFFFAOYSA-N 0 0 437.500 2.732 50 0 IFAARN O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccc2c(c1)OCO2 ZINC000017320770 557057879 /nfs/dbraw/zinc/05/78/79/557057879.db2.gz FUZJBFVBMOIGOD-UHFFFAOYSA-N 0 0 445.269 2.870 50 0 IFAARN COc1ccc(C(=O)OCc2ccc(OC(F)F)c(OC)c2)cc1S(=O)(=O)N(C)C ZINC000023020066 557058074 /nfs/dbraw/zinc/05/80/74/557058074.db2.gz RDNDCTQDHOZGFY-UHFFFAOYSA-N 0 0 445.440 2.913 50 0 IFAARN Cn1cc(C(=O)NC2CCN(C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cn1 ZINC000048286313 557058522 /nfs/dbraw/zinc/05/85/22/557058522.db2.gz UMQYRCMNPQQDEQ-UHFFFAOYSA-N 0 0 441.532 2.731 50 0 IFAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000048304016 557058901 /nfs/dbraw/zinc/05/89/01/557058901.db2.gz SQFBSCOCRWNSGX-UHFFFAOYSA-N 0 0 438.513 2.611 50 0 IFAARN C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000023103065 557063333 /nfs/dbraw/zinc/06/33/33/557063333.db2.gz FZEXJRCRVFPYEP-HNNXBMFYSA-N 0 0 429.542 2.618 50 0 IFAARN CCCCn1c(CSc2cccc[n+]2[O-])nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000023106417 557063404 /nfs/dbraw/zinc/06/34/04/557063404.db2.gz PIWVLQYYVRTOAJ-UHFFFAOYSA-N 0 0 437.525 2.660 50 0 IFAARN COC(=O)c1sccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000048314721 557064732 /nfs/dbraw/zinc/06/47/32/557064732.db2.gz CXLOKAIASSYDAY-UHFFFAOYSA-N 0 0 437.543 2.690 50 0 IFAARN O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(Cc1ccc(F)cc1F)CC2 ZINC000023129039 557066228 /nfs/dbraw/zinc/06/62/28/557066228.db2.gz GKEVFARPFLKBBO-UHFFFAOYSA-N 0 0 429.446 2.613 50 0 IFAARN CCc1noc(Cn2cnc3c4cc(C)ccc4n(CC(=O)N4CCCCC4)c3c2=O)n1 ZINC000033281174 557067222 /nfs/dbraw/zinc/06/72/22/557067222.db2.gz BCGROIXQNHMRJS-UHFFFAOYSA-N 0 0 434.500 2.666 50 0 IFAARN O=C(Nc1cccc(Cn2cccnc2=O)c1)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000048326476 557068815 /nfs/dbraw/zinc/06/88/15/557068815.db2.gz OMOQMXBBTDMHKP-OAQYLSRUSA-N 0 0 431.496 2.777 50 0 IFAARN COc1cc(CN2CCN(Cc3ccc(NC(C)=O)cc3)C[C@@H]2CCO)cc(OC)c1 ZINC000023153352 557069788 /nfs/dbraw/zinc/06/97/88/557069788.db2.gz SKEOLJINUMEKPM-QFIPXVFZSA-N 0 0 427.545 2.731 50 0 IFAARN CC(C)(C)c1noc(CCCC(=O)NCc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)n1 ZINC000048344041 557071722 /nfs/dbraw/zinc/07/17/22/557071722.db2.gz DKOKZICCCKMOAG-UHFFFAOYSA-N 0 0 441.532 2.837 50 0 IFAARN C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)[C@H]1CCCO1 ZINC000023196296 557072583 /nfs/dbraw/zinc/07/25/83/557072583.db2.gz BXQDYXQNBRSVKT-DNVCBOLYSA-N 0 0 446.525 2.946 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1 ZINC000023222500 557074211 /nfs/dbraw/zinc/07/42/11/557074211.db2.gz HIEQBEZQEHERJJ-MRXNPFEDSA-N 0 0 445.475 2.877 50 0 IFAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)CC2)c(C)o1 ZINC000048366691 557075340 /nfs/dbraw/zinc/07/53/40/557075340.db2.gz PKNLGALTPOYVOV-UHFFFAOYSA-N 0 0 432.864 2.871 50 0 IFAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023247964 557077938 /nfs/dbraw/zinc/07/79/38/557077938.db2.gz YFRZEKLZARUZIZ-UHFFFAOYSA-N 0 0 437.540 2.517 50 0 IFAARN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1nc2ncc(Br)cn2n1 ZINC000097159675 557079433 /nfs/dbraw/zinc/07/94/33/557079433.db2.gz CTNQMGCADHDZLK-UHFFFAOYSA-N 0 0 429.278 2.812 50 0 IFAARN COC(=O)c1ccc(CSc2nnc3c(S(=O)(=O)N4CCCCC4)cccn23)o1 ZINC000033300344 557079439 /nfs/dbraw/zinc/07/94/39/557079439.db2.gz WZMWHFPKJKJNBN-UHFFFAOYSA-N 0 0 436.515 2.576 50 0 IFAARN CN(CC(=O)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)S(C)(=O)=O ZINC000048984877 557081927 /nfs/dbraw/zinc/08/19/27/557081927.db2.gz AKKVGTKSGRKRKQ-UHFFFAOYSA-N 0 0 441.387 2.967 50 0 IFAARN O=C(Nc1nc(CN2CCOCC2)cs1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000023312405 557083711 /nfs/dbraw/zinc/08/37/11/557083711.db2.gz WUCWWYMPUOYULS-UHFFFAOYSA-N 0 0 447.520 2.927 50 0 IFAARN Cc1ccc2c(ncc(C(=O)N3CCOCC3)c2Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000049004867 557083981 /nfs/dbraw/zinc/08/39/81/557083981.db2.gz HCCHIXMUHDECOL-UHFFFAOYSA-N 0 0 426.498 2.558 50 0 IFAARN Cc1nnsc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000023338692 557085120 /nfs/dbraw/zinc/08/51/20/557085120.db2.gz ITRWCZAVLOXVDF-FQEVSTJZSA-N 0 0 441.601 2.823 50 0 IFAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccc(=O)[nH]c1 ZINC000011325312 557088537 /nfs/dbraw/zinc/08/85/37/557088537.db2.gz WUWNXXBXEAIXNG-UHFFFAOYSA-N 0 0 427.438 2.612 50 0 IFAARN Cc1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc(S(=O)(=O)N(C)C)c1C ZINC000010902307 557089189 /nfs/dbraw/zinc/08/91/89/557089189.db2.gz IFQPSMUGBMJREK-UHFFFAOYSA-N 0 0 429.542 2.832 50 0 IFAARN O=C(CCn1c(=O)c2sccc2nc1N1CCCCC1)NCc1ccc2c(c1)OCO2 ZINC000033308776 557089834 /nfs/dbraw/zinc/08/98/34/557089834.db2.gz ARHHLXPWHPDRMQ-UHFFFAOYSA-N 0 0 440.525 2.884 50 0 IFAARN O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000023385217 557090337 /nfs/dbraw/zinc/09/03/37/557090337.db2.gz PZFGTYBMYTWYIS-DEOSSOPVSA-N 0 0 433.508 2.908 50 0 IFAARN O=c1[nH]c2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)C3CCCCC3)cc2[nH]c1=O ZINC000023399695 557090576 /nfs/dbraw/zinc/09/05/76/557090576.db2.gz LHCPVEWMGJIWDF-UHFFFAOYSA-N 0 0 431.489 2.879 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2nc3c4sc(N5CCCC5)nc4ncn3c2=O)c(C)c1 ZINC000033309109 557090694 /nfs/dbraw/zinc/09/06/94/557090694.db2.gz CIEJPJUHATUCSO-UHFFFAOYSA-N 0 0 437.529 2.665 50 0 IFAARN COc1ccc([C@@H]2CCCN2CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)c(OC)c1 ZINC000010907712 557091006 /nfs/dbraw/zinc/09/10/06/557091006.db2.gz MVUVACZHHSWNTF-INIZCTEOSA-N 0 0 426.473 2.926 50 0 IFAARN COc1cc(OC)cc(-c2noc(CCn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)c1 ZINC000033309740 557092321 /nfs/dbraw/zinc/09/23/21/557092321.db2.gz ZAFAFFPKGNJOQD-UHFFFAOYSA-N 0 0 448.435 2.949 50 0 IFAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O ZINC000023475645 557093460 /nfs/dbraw/zinc/09/34/60/557093460.db2.gz DPELBCUCNDHCOR-QFIPXVFZSA-N 0 0 428.558 2.689 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000023477232 557093867 /nfs/dbraw/zinc/09/38/67/557093867.db2.gz BGOWJHVQMRBEIU-UHFFFAOYSA-N 0 0 436.965 2.658 50 0 IFAARN COc1ccc(/C=C/C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1OC ZINC000049343635 557094398 /nfs/dbraw/zinc/09/43/98/557094398.db2.gz HGHFLPAGTSCTGJ-YRNVUSSQSA-N 0 0 446.511 2.994 50 0 IFAARN O=C(Cc1ccccc1F)N1CCC[C@@H]1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000033310627 557094566 /nfs/dbraw/zinc/09/45/66/557094566.db2.gz KJOSGARFLTYZMS-HXUWFJFHSA-N 0 0 426.488 2.911 50 0 IFAARN C[C@@H]1CCCN(c2nccn3c(=O)n(CC(=O)Nc4cccc(Br)c4)nc23)C1 ZINC000049399877 557095623 /nfs/dbraw/zinc/09/56/23/557095623.db2.gz VYVIJKPNBRLOOK-CYBMUJFWSA-N 0 0 445.321 2.529 50 0 IFAARN CCNC(=O)C1CCN(c2cc(SCC(=O)Nc3ccc(C(C)=O)cc3)ncn2)CC1 ZINC000033312114 557095778 /nfs/dbraw/zinc/09/57/78/557095778.db2.gz XESMFRXCQUBKDQ-UHFFFAOYSA-N 0 0 441.557 2.763 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c(N4C[C@@H](C)C[C@H](C)C4)nccn3c2=O)c(Cl)c1 ZINC000049400280 557095853 /nfs/dbraw/zinc/09/58/53/557095853.db2.gz OZLPQZVJTDJHBS-GJZGRUSLSA-N 0 0 428.924 2.974 50 0 IFAARN C[C@H]1C[C@H](C)CN(c2nccn3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)nc23)C1 ZINC000049400240 557095864 /nfs/dbraw/zinc/09/58/64/557095864.db2.gz VFFCURIWCGHADR-STQMWFEESA-N 0 0 432.887 2.805 50 0 IFAARN COc1ccc(NC(=O)c2cnc(N3CCN(c4ccccc4OC)CC3)nc2N)cc1 ZINC000049401559 557097325 /nfs/dbraw/zinc/09/73/25/557097325.db2.gz YJPQPCHAVIDWLX-UHFFFAOYSA-N 0 0 434.500 2.655 50 0 IFAARN COc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3cccc(C)c3)NC2=O)c(OC)c1 ZINC000049403049 557098541 /nfs/dbraw/zinc/09/85/41/557098541.db2.gz FBWUYFJAROBJCW-OAQYLSRUSA-N 0 0 437.452 2.528 50 0 IFAARN Cc1cc2nc(C)c(CCC(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)c(C)n2n1 ZINC000023561743 557098679 /nfs/dbraw/zinc/09/86/79/557098679.db2.gz CQCHRKFZHHAKCK-JOCHJYFZSA-N 0 0 439.535 2.916 50 0 IFAARN NC(=O)[C@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000023575725 557099490 /nfs/dbraw/zinc/09/94/90/557099490.db2.gz WALDPVJXLMACPX-MAUKXSAKSA-N 0 0 436.917 2.511 50 0 IFAARN COc1cccc(N2CCN(C(=O)c3ccc4c(c3)nc3n(c4=O)CCCS3)CC2)c1 ZINC000049403696 557099532 /nfs/dbraw/zinc/09/95/32/557099532.db2.gz YGMQJAJBGKBKFS-UHFFFAOYSA-N 0 0 436.537 2.863 50 0 IFAARN Cc1cc(C)n(-c2cc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)ncn2)n1 ZINC000049404250 557099549 /nfs/dbraw/zinc/09/95/49/557099549.db2.gz UJUTWUDBYJGIRK-UHFFFAOYSA-N 0 0 426.521 2.859 50 0 IFAARN O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1ccccc1Cl ZINC000049404378 557099582 /nfs/dbraw/zinc/09/95/82/557099582.db2.gz APAKNOSDRMJYMT-UHFFFAOYSA-N 0 0 428.905 2.939 50 0 IFAARN CCOc1ccc(NC(=O)Cn2c3csnc3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000049403792 557099595 /nfs/dbraw/zinc/09/95/95/557099595.db2.gz ZXBBRQTZUKOPPF-UHFFFAOYSA-N 0 0 436.493 2.705 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc5c(c4)OCO5)CC3)[nH]n2)cc1 ZINC000049406763 557102311 /nfs/dbraw/zinc/10/23/11/557102311.db2.gz WILWJTPRIWYIRT-UHFFFAOYSA-N 0 0 448.479 2.849 50 0 IFAARN COc1ccccc1[C@H](Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1nccn1C ZINC000017591298 557102309 /nfs/dbraw/zinc/10/23/09/557102309.db2.gz VUQZFFTZIATHDI-FQEVSTJZSA-N 0 0 427.530 2.810 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(OC)cc3)C2)c1C ZINC000085620700 557102347 /nfs/dbraw/zinc/10/23/47/557102347.db2.gz RREOTYXSYKDLGA-GOSISDBHSA-N 0 0 441.528 2.985 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3OC)C2)c1C ZINC000085620781 557102354 /nfs/dbraw/zinc/10/23/54/557102354.db2.gz QJENAHCXILVCGI-SFHVURJKSA-N 0 0 441.528 2.985 50 0 IFAARN O=c1c(=O)n(Cc2ccc(Cl)cc2)ccn1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000049407704 557102785 /nfs/dbraw/zinc/10/27/85/557102785.db2.gz KXTMQEOOJROYLH-UHFFFAOYSA-N 0 0 438.827 2.539 50 0 IFAARN O=c1n2cc(S(=O)(=O)N3CCCCCC3)ccc2nn1Cc1ccc(F)cc1Cl ZINC000049408061 557102792 /nfs/dbraw/zinc/10/27/92/557102792.db2.gz QMZFCNHGJJCDLJ-UHFFFAOYSA-N 0 0 438.912 2.902 50 0 IFAARN CCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000023654448 557103423 /nfs/dbraw/zinc/10/34/23/557103423.db2.gz JLXHDPSTRSDTGN-UHFFFAOYSA-N 0 0 435.571 2.927 50 0 IFAARN CC1CCN(S(=O)(=O)c2cccn(CC(=O)Nc3ccc(Cl)cc3F)c2=O)CC1 ZINC000049409146 557104085 /nfs/dbraw/zinc/10/40/85/557104085.db2.gz KDVWWPHDYVOLEC-UHFFFAOYSA-N 0 0 441.912 2.700 50 0 IFAARN O=C([C@@H]1COc2ccccc2O1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000585147571 557104812 /nfs/dbraw/zinc/10/48/12/557104812.db2.gz YWWKCXZRMKGIEC-QHCPKHFHSA-N 0 0 431.492 2.989 50 0 IFAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1)C2=O ZINC000023673844 557104994 /nfs/dbraw/zinc/10/49/94/557104994.db2.gz AFJLCNDEFFPNSN-AZQSGLJVSA-N 0 0 444.532 2.514 50 0 IFAARN C[C@@H](OC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000023673766 557105012 /nfs/dbraw/zinc/10/50/12/557105012.db2.gz GCHCMXSLDISKSQ-UVOCGCJZSA-N 0 0 427.501 2.546 50 0 IFAARN O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023673868 557105349 /nfs/dbraw/zinc/10/53/49/557105349.db2.gz GTYOXFVOLNTKHN-UHFFFAOYSA-N 0 0 425.455 2.825 50 0 IFAARN CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)ccc1=O ZINC000023681256 557105977 /nfs/dbraw/zinc/10/59/77/557105977.db2.gz UIHFWHVBJAGRCG-HOTGVXAUSA-N 0 0 432.546 2.857 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3nc(N4CCCCCC4)ccn3c2=O)cc1Cl ZINC000049410778 557106119 /nfs/dbraw/zinc/10/61/19/557106119.db2.gz FEKNVHWQTVCVAB-UHFFFAOYSA-N 0 0 430.896 2.572 50 0 IFAARN O=C(c1cn(-c2cc(N3CCCCC3)ncn2)cn1)N1CCN(c2ccccc2F)CC1 ZINC000049411184 557106128 /nfs/dbraw/zinc/10/61/28/557106128.db2.gz SNUOZVMSIZDKDS-UHFFFAOYSA-N 0 0 435.507 2.754 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2c(-c3ccc(F)cc3)nc3n2CCS3(=O)=O)c1 ZINC000086069161 557107836 /nfs/dbraw/zinc/10/78/36/557107836.db2.gz UTOIXGJQFCLDFH-UHFFFAOYSA-N 0 0 431.445 2.746 50 0 IFAARN CCOc1ccc(NC(=O)c2c(-c3cccc(OC)c3)nc3n2CCS3(=O)=O)cc1 ZINC000086069425 557108117 /nfs/dbraw/zinc/10/81/17/557108117.db2.gz BYLYSFVOOGXNOW-UHFFFAOYSA-N 0 0 427.482 2.997 50 0 IFAARN Cc1cc(C)n([C@H](CNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)c2ccco2)n1 ZINC000585148200 557109141 /nfs/dbraw/zinc/10/91/41/557109141.db2.gz ZDSWRSTWLMJLQY-HXUWFJFHSA-N 0 0 449.511 2.954 50 0 IFAARN O=C(N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1)C1(c2ccc(F)cc2)CC1 ZINC000585148530 557109370 /nfs/dbraw/zinc/10/93/70/557109370.db2.gz UWLAHPTUMDLXHK-UHFFFAOYSA-N 0 0 427.398 2.675 50 0 IFAARN Cn1c2nc(NCc3ccco3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000049575573 557113558 /nfs/dbraw/zinc/11/35/58/557113558.db2.gz JKUYJRTWWHJEFW-UHFFFAOYSA-N 0 0 434.283 2.994 50 0 IFAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000023744599 557113605 /nfs/dbraw/zinc/11/36/05/557113605.db2.gz AEISDQDYAIIODK-RBUKOAKNSA-N 0 0 447.626 2.789 50 0 IFAARN Cc1cc(=O)c(C(=O)N2CCN(CCOc3ccccc3)CC2)nn1-c1ccccc1F ZINC000023804907 557116699 /nfs/dbraw/zinc/11/66/99/557116699.db2.gz YLHVQROYUKOGBD-UHFFFAOYSA-N 0 0 436.487 2.517 50 0 IFAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccccc1CN1CCOCC1 ZINC000023805278 557117101 /nfs/dbraw/zinc/11/71/01/557117101.db2.gz VKUYKMWIEWFQGF-UHFFFAOYSA-N 0 0 429.904 2.787 50 0 IFAARN Cc1ccc(SCCNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000023805298 557117107 /nfs/dbraw/zinc/11/71/07/557117107.db2.gz CFXNHLARVBERSI-OAQYLSRUSA-N 0 0 433.480 2.949 50 0 IFAARN Cc1nn(CC(=O)Nc2cc(F)cc(F)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000010926244 557117701 /nfs/dbraw/zinc/11/77/01/557117701.db2.gz ORCKTNHZHHHLCA-UHFFFAOYSA-N 0 0 426.489 2.837 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000015879977 557119271 /nfs/dbraw/zinc/11/92/71/557119271.db2.gz HSNKMAMXIQQYQA-UHFFFAOYSA-N 0 0 428.938 2.540 50 0 IFAARN O=C(Nc1ccccc1)Nc1ccc(N2CCCC2)c(C(=O)NCCN2CCOCC2)c1 ZINC000033339258 557121912 /nfs/dbraw/zinc/12/19/12/557121912.db2.gz JTJGKWYQLPLGTE-UHFFFAOYSA-N 0 0 437.544 2.993 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n2C)cc1 ZINC000023873417 557122340 /nfs/dbraw/zinc/12/23/40/557122340.db2.gz PPTZVHQNOVPDFJ-UHFFFAOYSA-N 0 0 437.569 2.927 50 0 IFAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000023873277 557122346 /nfs/dbraw/zinc/12/23/46/557122346.db2.gz DIDXTFXHVUMQKN-XMMPIXPASA-N 0 0 428.536 2.767 50 0 IFAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023881872 557122687 /nfs/dbraw/zinc/12/26/87/557122687.db2.gz NSFMOKQZAIDYDU-UHFFFAOYSA-N 0 0 433.537 2.810 50 0 IFAARN CCNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2nnc(N)s2)c2ccccc2)cc1 ZINC000098087224 557123850 /nfs/dbraw/zinc/12/38/50/557123850.db2.gz INYOEKLFGHKVOW-OAHLLOKOSA-N 0 0 449.583 2.891 50 0 IFAARN COc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n(CCc2ccccc2)c3=O)cc1 ZINC000004791574 557124484 /nfs/dbraw/zinc/12/44/84/557124484.db2.gz GQKWMMVOKKFMIJ-UHFFFAOYSA-N 0 0 429.476 2.871 50 0 IFAARN CCn1cc(C(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc21 ZINC000017837360 557125108 /nfs/dbraw/zinc/12/51/08/557125108.db2.gz BBKNDMUJDUEQPX-CALCHBBNSA-N 0 0 445.585 2.924 50 0 IFAARN CCN(CCNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C)c1cccc(C)c1 ZINC000017841277 557125520 /nfs/dbraw/zinc/12/55/20/557125520.db2.gz CYCQJPVSSYNPAK-NRFANRHFSA-N 0 0 442.585 2.701 50 0 IFAARN COc1cc2[nH]c(=O)n(CCCC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c2cc1OC ZINC000004792546 557125829 /nfs/dbraw/zinc/12/58/29/557125829.db2.gz SAKLPOAGKHFNHQ-INIZCTEOSA-N 0 0 439.512 2.625 50 0 IFAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023936021 557126591 /nfs/dbraw/zinc/12/65/91/557126591.db2.gz COIUMTTXRYLDOK-IBGZPJMESA-N 0 0 435.549 2.847 50 0 IFAARN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCc1ccc(CN2CCOCC2)cc1 ZINC000023958684 557128049 /nfs/dbraw/zinc/12/80/49/557128049.db2.gz GEKYKIAPGIWJQU-UHFFFAOYSA-N 0 0 438.524 2.959 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nnc(N3CCCC3)n2C2CC2)cc1OC ZINC000011375644 557129576 /nfs/dbraw/zinc/12/95/76/557129576.db2.gz LHTZUKOSSXXLLW-UHFFFAOYSA-N 0 0 431.562 2.681 50 0 IFAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)ccc1OC(F)F ZINC000024749547 557134042 /nfs/dbraw/zinc/13/40/42/557134042.db2.gz FEQARTSUTNWPHV-XVNBXDOJSA-N 0 0 433.367 2.661 50 0 IFAARN C1CCN(c2nc(N3CCCC3)nc(N3CCC[C@H](c4nnc5n4CCCCC5)C3)n2)C1 ZINC000024055859 557134427 /nfs/dbraw/zinc/13/44/27/557134427.db2.gz HXQAJBWBHQUMLV-SFHVURJKSA-N 0 0 437.596 2.774 50 0 IFAARN COc1cc(CNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)ccn1 ZINC000024758840 557134975 /nfs/dbraw/zinc/13/49/75/557134975.db2.gz GGKPYASSRJCTSB-UHFFFAOYSA-N 0 0 431.539 2.603 50 0 IFAARN Cc1cc(C(=O)COC(=O)c2sccc2S(N)(=O)=O)c(C)n1Cc1cccs1 ZINC000010933216 557137033 /nfs/dbraw/zinc/13/70/33/557137033.db2.gz OURDEHUZBUSDIO-UHFFFAOYSA-N 0 0 438.552 2.963 50 0 IFAARN COc1ccc(/C=C/C(=O)N(C(C)C)C2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000024775083 557137735 /nfs/dbraw/zinc/13/77/35/557137735.db2.gz PNZBNVJOBYQMTD-PKNBQFBNSA-N 0 0 436.574 2.909 50 0 IFAARN CCCn1c2ccccc2n(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1=O ZINC000024143246 557138566 /nfs/dbraw/zinc/13/85/66/557138566.db2.gz XNUUTXZIBQNVOV-UHFFFAOYSA-N 0 0 426.561 2.854 50 0 IFAARN COc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000024143859 557138615 /nfs/dbraw/zinc/13/86/15/557138615.db2.gz FQSHJIGKIGRYIO-UHFFFAOYSA-N 0 0 426.469 2.852 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NCC(=O)Nc2cc(OC)c(Cl)cc2OC)c1 ZINC000024778628 557138663 /nfs/dbraw/zinc/13/86/63/557138663.db2.gz JMZUFONPOITFJS-UHFFFAOYSA-N 0 0 436.848 2.981 50 0 IFAARN CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCc2ccccc2)[C@@]12c1ccccc1NC2=O ZINC000000705598 557139618 /nfs/dbraw/zinc/13/96/18/557139618.db2.gz UKWFZUIKTIRWAZ-DEOSSOPVSA-N 0 0 434.448 2.658 50 0 IFAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000024177550 557139663 /nfs/dbraw/zinc/13/96/63/557139663.db2.gz UBBPORSLYSFJCD-QFIPXVFZSA-N 0 0 438.524 2.974 50 0 IFAARN O=C1c2ccccc2C(=O)N1Cc1nc2ccc(I)cc2c(=O)o1 ZINC000000706512 557140320 /nfs/dbraw/zinc/14/03/20/557140320.db2.gz OWPBSWMJHJKKGT-UHFFFAOYSA-N 0 0 432.173 2.589 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccc(Cn3ccccc3=O)o2)c1 ZINC000024208614 557141066 /nfs/dbraw/zinc/14/10/66/557141066.db2.gz QFDVUCXISUHDDL-CQSZACIVSA-N 0 0 426.425 2.691 50 0 IFAARN CCNC(=O)NC(=O)[C@H](C)Sc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccco1 ZINC000011427477 557146599 /nfs/dbraw/zinc/14/65/99/557146599.db2.gz KCZSYVAXHVWOSI-KKUMJFAQSA-N 0 0 434.566 2.728 50 0 IFAARN COc1cc2c3c(c1)C(CN1CCN(C(=O)OC(C)(C)C)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000584906322 557146701 /nfs/dbraw/zinc/14/67/01/557146701.db2.gz ZLIVJZSNRDZSSL-UHFFFAOYSA-N 0 0 441.528 2.953 50 0 IFAARN COc1cc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)ccc1OCC(C)C ZINC000016265726 557148001 /nfs/dbraw/zinc/14/80/01/557148001.db2.gz SRXJEEAQUYJLFS-UNOMPAQXSA-N 0 0 435.505 2.769 50 0 IFAARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011451202 557150093 /nfs/dbraw/zinc/15/00/93/557150093.db2.gz KFEAJXLURIOYSW-UHFFFAOYSA-N 0 0 428.919 2.713 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000016394047 557151186 /nfs/dbraw/zinc/15/11/86/557151186.db2.gz MBPPZTZQSCDOHZ-UHFFFAOYSA-N 0 0 428.554 2.989 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N(C)Cc2cccs2)ccc1F ZINC000011467634 557151876 /nfs/dbraw/zinc/15/18/76/557151876.db2.gz SOQLJOMYOQIPMJ-UHFFFAOYSA-N 0 0 442.534 2.733 50 0 IFAARN CC[C@H](C(=O)NCc1ccccc1)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000011497522 557153755 /nfs/dbraw/zinc/15/37/55/557153755.db2.gz XEJRYUBYHQEUCT-JOCHJYFZSA-N 0 0 429.586 2.786 50 0 IFAARN Cc1ccc(-c2noc(CCCN3CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC3)n2)cc1 ZINC000024822970 557154205 /nfs/dbraw/zinc/15/42/05/557154205.db2.gz UMPCYGZDESUMFB-GOSISDBHSA-N 0 0 441.576 2.673 50 0 IFAARN COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 ZINC000024613051 557155726 /nfs/dbraw/zinc/15/57/26/557155726.db2.gz ANNQFILTULQEBM-UHFFFAOYSA-N 0 0 434.489 2.793 50 0 IFAARN CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613292 557155755 /nfs/dbraw/zinc/15/57/55/557155755.db2.gz KQFHCYBSNKNSEM-UHFFFAOYSA-N 0 0 434.961 2.952 50 0 IFAARN CCN1c2ccc(C)cc2[C@@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)C1=O ZINC000095473505 557157538 /nfs/dbraw/zinc/15/75/38/557157538.db2.gz BESAEMGQNQDWOW-JOCHJYFZSA-N 0 0 428.456 2.800 50 0 IFAARN C[C@@H]1CN(c2ccc(C(=O)N3CSC[C@@H]3C(=O)NCc3ccccc3)cn2)C[C@H](C)O1 ZINC000024670456 557158311 /nfs/dbraw/zinc/15/83/11/557158311.db2.gz JSNMWVGMJWYROF-FUHIMQAGSA-N 0 0 440.569 2.527 50 0 IFAARN CCc1c(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cnn1-c1ccc(F)cc1 ZINC000024679225 557158401 /nfs/dbraw/zinc/15/84/01/557158401.db2.gz YIDBIZVOPAMUMI-UHFFFAOYSA-N 0 0 436.534 2.816 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000043983732 557160660 /nfs/dbraw/zinc/16/06/60/557160660.db2.gz DCJKQPLPJYMNGT-UHFFFAOYSA-N 0 0 445.541 2.578 50 0 IFAARN C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000024746802 557161350 /nfs/dbraw/zinc/16/13/50/557161350.db2.gz DBVLTJXOHYJYEA-NRFANRHFSA-N 0 0 442.648 2.779 50 0 IFAARN Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095938931 557162416 /nfs/dbraw/zinc/16/24/16/557162416.db2.gz FLJARLFRPUHVQQ-JKSUJKDBSA-N 0 0 439.578 2.716 50 0 IFAARN C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)N1CC(=O)Nc2ccccc21 ZINC000024753421 557162649 /nfs/dbraw/zinc/16/26/49/557162649.db2.gz NZWLAFQQXBGREO-MCMMXHMISA-N 0 0 437.477 2.532 50 0 IFAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1 ZINC000011545005 557162640 /nfs/dbraw/zinc/16/26/40/557162640.db2.gz GNHABKWDCCLLLH-UHFFFAOYSA-N 0 0 430.921 2.567 50 0 IFAARN O=C(CCn1cnc2sccc2c1=O)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024760072 557164352 /nfs/dbraw/zinc/16/43/52/557164352.db2.gz AZUOUTCVNAZORI-UHFFFAOYSA-N 0 0 438.490 2.814 50 0 IFAARN Cc1nc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)sc1C1N=NC(=S)N1C ZINC000024764614 557164941 /nfs/dbraw/zinc/16/49/41/557164941.db2.gz MWXBGVWZFAJVQU-CYBMUJFWSA-N 0 0 444.542 2.906 50 0 IFAARN COC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000024767171 557165220 /nfs/dbraw/zinc/16/52/20/557165220.db2.gz SGYVWDORGOHDAQ-UHFFFAOYSA-N 0 0 445.493 2.528 50 0 IFAARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)NCc1ccc(OC)c(OC)c1 ZINC000206804387 557165350 /nfs/dbraw/zinc/16/53/50/557165350.db2.gz HGIKJZOCAJMUNE-DOTOQJQBSA-N 0 0 432.448 2.747 50 0 IFAARN O=C(COC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000069923934 557167033 /nfs/dbraw/zinc/16/70/33/557167033.db2.gz CDNOYJGXNOSCNY-SFHVURJKSA-N 0 0 438.455 2.989 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)CC1 ZINC000024777463 557167040 /nfs/dbraw/zinc/16/70/40/557167040.db2.gz CEVRAPJOBYVFMS-UHFFFAOYSA-N 0 0 431.558 2.647 50 0 IFAARN O=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000024864835 557172169 /nfs/dbraw/zinc/17/21/69/557172169.db2.gz KJGZZPAXEJIHNH-UHFFFAOYSA-N 0 0 442.947 2.573 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3N3CCCC3=O)CC2)cc1 ZINC000024840004 557173231 /nfs/dbraw/zinc/17/32/31/557173231.db2.gz GQYCQTZSTXBWRD-UHFFFAOYSA-N 0 0 441.553 2.659 50 0 IFAARN O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000024842417 557173527 /nfs/dbraw/zinc/17/35/27/557173527.db2.gz NMFGWAOLPWQNLT-UHFFFAOYSA-N 0 0 442.478 2.705 50 0 IFAARN O=C(CSc1nc(-c2ccccc2)c[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000024843318 557173819 /nfs/dbraw/zinc/17/38/19/557173819.db2.gz UILRLLLJPILCFI-UHFFFAOYSA-N 0 0 442.566 2.702 50 0 IFAARN O=C(NC[C@H]1COc2ccccc2O1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000024858135 557174546 /nfs/dbraw/zinc/17/45/46/557174546.db2.gz UMAAUGBKXJHWCW-RXVVDRJESA-N 0 0 442.471 2.850 50 0 IFAARN COc1cccc(C=CC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000097985686 557182451 /nfs/dbraw/zinc/18/24/51/557182451.db2.gz RAPDEOMOPHGJEP-SEYXRHQNSA-N 0 0 448.523 2.878 50 0 IFAARN CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=O ZINC000167771769 557183106 /nfs/dbraw/zinc/18/31/06/557183106.db2.gz NKWDXXRTRBDFKO-WYIZHRONSA-N 0 0 441.505 2.604 50 0 IFAARN COc1ccc(-n2c(-c3ccncc3)nn(CN3CCC[C@@H]3C(=O)N(C)C)c2=S)cc1 ZINC000024988837 557187033 /nfs/dbraw/zinc/18/70/33/557187033.db2.gz VTHRRGOMWAJMKE-LJQANCHMSA-N 0 0 438.557 2.984 50 0 IFAARN CCOC(=O)c1ccc(OC[C@H](O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000024989120 557187354 /nfs/dbraw/zinc/18/73/54/557187354.db2.gz FCCPIVRWJFRDOU-QGZVFWFLSA-N 0 0 427.478 2.965 50 0 IFAARN COc1ccc2c(c1)sc(=NC(=O)CSCC(=O)N1CCc3ccccc31)n2C ZINC000100825340 557189544 /nfs/dbraw/zinc/18/95/44/557189544.db2.gz NAQVTZWOWHSRPL-DQRAZIAOSA-N 0 0 427.551 2.998 50 0 IFAARN Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cc2ccccc2o1 ZINC000009582888 557190515 /nfs/dbraw/zinc/19/05/15/557190515.db2.gz KMEJPRULOAPKPI-UHFFFAOYSA-N 0 0 443.510 2.607 50 0 IFAARN C[C@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nc(N)nc(N(C)C)n1 ZINC000025052093 557191281 /nfs/dbraw/zinc/19/12/81/557191281.db2.gz UKRCPEGRGNSIIX-AWEZNQCLSA-N 0 0 425.566 2.944 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@H](NC(=O)N2CC(=O)Nc3ccccc32)C(C)C)CC1 ZINC000025107610 557195525 /nfs/dbraw/zinc/19/55/25/557195525.db2.gz HNRJWJWDXRTZFI-LJQANCHMSA-N 0 0 430.505 2.631 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2cc(F)ccc2Br)c1 ZINC000025127357 557195905 /nfs/dbraw/zinc/19/59/05/557195905.db2.gz UIUXJAQBLWYMBI-UHFFFAOYSA-N 0 0 429.311 2.913 50 0 IFAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc2ccccc2c1 ZINC000100873013 557195930 /nfs/dbraw/zinc/19/59/30/557195930.db2.gz YRAFEKUBFSWGOX-LNVKXUELSA-N 0 0 441.534 2.891 50 0 IFAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCCNS(=O)(=O)c3cc(C)ccc3C)c12 ZINC000025129185 557196221 /nfs/dbraw/zinc/19/62/21/557196221.db2.gz QXYFNJORAUMKKY-UHFFFAOYSA-N 0 0 443.573 2.725 50 0 IFAARN COC(=O)C1(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CCCCC1 ZINC000025177036 557198675 /nfs/dbraw/zinc/19/86/75/557198675.db2.gz VRVYAMQNDZYLHS-HNNXBMFYSA-N 0 0 442.965 2.733 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC ZINC000000791660 557198934 /nfs/dbraw/zinc/19/89/34/557198934.db2.gz SSVBXGQFZIMTLV-LJQANCHMSA-N 0 0 446.569 2.772 50 0 IFAARN CC[C@@H](C(=O)NCCOC)n1c2ccc(C)cc2c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000096318303 557199076 /nfs/dbraw/zinc/19/90/76/557199076.db2.gz JZPLZCKCJJRKHC-SFHVURJKSA-N 0 0 429.904 2.828 50 0 IFAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCCn1c2ccccc2oc1=O ZINC000025187479 557199412 /nfs/dbraw/zinc/19/94/12/557199412.db2.gz UBRWWGPRMDLLSG-UHFFFAOYSA-N 0 0 439.468 2.637 50 0 IFAARN COc1cccc(NC(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1 ZINC000011562752 557199792 /nfs/dbraw/zinc/19/97/92/557199792.db2.gz AQXVGUFZWGHRKU-UHFFFAOYSA-N 0 0 446.529 2.628 50 0 IFAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)s1 ZINC000025195827 557199829 /nfs/dbraw/zinc/19/98/29/557199829.db2.gz VFJCVBSSTRMNAR-UHFFFAOYSA-N 0 0 426.586 2.736 50 0 IFAARN CS(=O)(=O)Nc1cccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 ZINC000025239372 557200772 /nfs/dbraw/zinc/20/07/72/557200772.db2.gz OYFZEZOVUFRUHX-UHFFFAOYSA-N 0 0 448.522 2.555 50 0 IFAARN CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000025261135 557201423 /nfs/dbraw/zinc/20/14/23/557201423.db2.gz JNZAEQUMORBIFL-PIGZYNQJSA-N 0 0 440.472 2.787 50 0 IFAARN CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000025261140 557201518 /nfs/dbraw/zinc/20/15/18/557201518.db2.gz JNZAEQUMORBIFL-APPDUMDISA-N 0 0 440.472 2.787 50 0 IFAARN CCOc1ccc(NC(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1 ZINC000025286245 557202429 /nfs/dbraw/zinc/20/24/29/557202429.db2.gz BHZNJUATQUUHHV-UHFFFAOYSA-N 0 0 428.558 2.956 50 0 IFAARN COc1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)cc(OC)c1Br ZINC000025290862 557202799 /nfs/dbraw/zinc/20/27/99/557202799.db2.gz QVPKQLJRNQFKFT-UHFFFAOYSA-N 0 0 436.306 2.628 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)NCCCCOc1ccc(F)cc1 ZINC000025342044 557205180 /nfs/dbraw/zinc/20/51/80/557205180.db2.gz IMVRGEHGUFVKFN-GOSISDBHSA-N 0 0 439.509 2.559 50 0 IFAARN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1=O ZINC000013987038 557205808 /nfs/dbraw/zinc/20/58/08/557205808.db2.gz SRQWAHAESYEJRF-INIZCTEOSA-N 0 0 445.541 2.682 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c2cccnc2c(=O)n(Cc2cccs2)c1=O ZINC000011613196 557209235 /nfs/dbraw/zinc/20/92/35/557209235.db2.gz QCRKXNORZWNMSB-UHFFFAOYSA-N 0 0 436.493 2.705 50 0 IFAARN COc1ccc(CCNC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)cc1OC ZINC000011613630 557209555 /nfs/dbraw/zinc/20/95/55/557209555.db2.gz NDMFLWSZOKAIOC-HNNXBMFYSA-N 0 0 429.542 2.535 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000010985327 557210803 /nfs/dbraw/zinc/21/08/03/557210803.db2.gz NADVLRNVBRQOKO-UHFFFAOYSA-N 0 0 432.527 2.805 50 0 IFAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)c(=O)n3c2CCCCC3)no1 ZINC000169763966 557211394 /nfs/dbraw/zinc/21/13/94/557211394.db2.gz MGDKUEXHQKBDJP-UHFFFAOYSA-N 0 0 443.891 2.641 50 0 IFAARN CCOC(=O)c1ccccc1O[C@@H](CC)C(=O)NCC(=O)c1ccc2c(c1)OCCO2 ZINC000011615314 557211437 /nfs/dbraw/zinc/21/14/37/557211437.db2.gz BHHCTBQFPDXVGK-SFHVURJKSA-N 0 0 427.453 2.791 50 0 IFAARN O=C1C[C@@H](N(O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C(=O)N1c1cccc(Cl)c1 ZINC000101027210 557214044 /nfs/dbraw/zinc/21/40/44/557214044.db2.gz RMEDJTYVJVFEDI-IYBDPMFKSA-N 0 0 448.262 2.649 50 0 IFAARN CCOC(=O)Cn1c2cc3c(cc2s/c1=N\C(=O)c1cccc(OC)c1OC)OCO3 ZINC000101035451 557214783 /nfs/dbraw/zinc/21/47/83/557214783.db2.gz SERKNNLWLKRTQJ-DQRAZIAOSA-N 0 0 444.465 2.753 50 0 IFAARN CCOCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000101042145 557215061 /nfs/dbraw/zinc/21/50/61/557215061.db2.gz RAXVJALZJRSAHF-MRCUWXFGSA-N 0 0 434.539 2.893 50 0 IFAARN CCN(CC)c1ccc(NC(=O)Cn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1 ZINC000025664202 557220614 /nfs/dbraw/zinc/22/06/14/557220614.db2.gz HSLNIKUSWXSPSK-UHFFFAOYSA-N 0 0 449.555 2.714 50 0 IFAARN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)CC1=O ZINC000025670290 557221344 /nfs/dbraw/zinc/22/13/44/557221344.db2.gz GCHJBJYDMBRUQP-ZDUSSCGKSA-N 0 0 435.477 2.506 50 0 IFAARN Cc1cc(C)cc(OCC(=O)O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000010589363 557223335 /nfs/dbraw/zinc/22/33/35/557223335.db2.gz PNEULGLPZKRKSK-ZDUSSCGKSA-N 0 0 438.402 2.786 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000025730701 557223909 /nfs/dbraw/zinc/22/39/09/557223909.db2.gz KJHOKAOYVVCCLM-UHFFFAOYSA-N 0 0 446.960 2.780 50 0 IFAARN O=C(Cn1c2ccccc2nc1SC(F)F)NCc1ccnc(N2CCOCC2)c1 ZINC000025758727 557224556 /nfs/dbraw/zinc/22/45/56/557224556.db2.gz IOPLLELIPKJVOK-UHFFFAOYSA-N 0 0 433.484 2.899 50 0 IFAARN C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000010806170 557225008 /nfs/dbraw/zinc/22/50/08/557225008.db2.gz BGAXNFPDKUPCFQ-CYBMUJFWSA-N 0 0 437.905 2.704 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000025777270 557225526 /nfs/dbraw/zinc/22/55/26/557225526.db2.gz JORSAKPRXLIGRR-UHFFFAOYSA-N 0 0 430.313 2.671 50 0 IFAARN Nn1c(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nnc1C(F)(F)F ZINC000011239744 557227674 /nfs/dbraw/zinc/22/76/74/557227674.db2.gz SVHYCUZWFNBNRK-NSHDSACASA-N 0 0 433.843 2.978 50 0 IFAARN Nn1c(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nnc1C(F)(F)F ZINC000011239745 557227789 /nfs/dbraw/zinc/22/77/89/557227789.db2.gz SVHYCUZWFNBNRK-LLVKDONJSA-N 0 0 433.843 2.978 50 0 IFAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cc2c([nH]c1=O)CCCC2=O ZINC000025829368 557227843 /nfs/dbraw/zinc/22/78/43/557227843.db2.gz AJRAUBLILQACCG-UHFFFAOYSA-N 0 0 428.798 2.803 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1cc2c(c(Cl)c1)OCO2 ZINC000025888665 557229066 /nfs/dbraw/zinc/22/90/66/557229066.db2.gz IEXVQHDZARTNLT-UHFFFAOYSA-N 0 0 428.919 2.845 50 0 IFAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000136918783 557229103 /nfs/dbraw/zinc/22/91/03/557229103.db2.gz PSWBNFCDLVFUFQ-HRCADAONSA-N 0 0 434.496 2.563 50 0 IFAARN Cc1cc(=O)c(C(=O)OCCN2C(=O)c3ccccc3C2=O)nn1-c1ccc(Cl)cc1 ZINC000018030485 557229698 /nfs/dbraw/zinc/22/96/98/557229698.db2.gz VYINIJAJRIANBD-UHFFFAOYSA-N 0 0 437.839 2.647 50 0 IFAARN O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000025925519 557230523 /nfs/dbraw/zinc/23/05/23/557230523.db2.gz WGPKBWPOGDZSQE-UHFFFAOYSA-N 0 0 427.810 2.505 50 0 IFAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)NC[C@H]1CCCO1 ZINC000011613407 557230951 /nfs/dbraw/zinc/23/09/51/557230951.db2.gz WIJDXMGDZVVGDX-HUUCEWRRSA-N 0 0 445.932 2.568 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000018032992 557230968 /nfs/dbraw/zinc/23/09/68/557230968.db2.gz RMFISHJSQJVLNJ-IAGOWNOFSA-N 0 0 440.887 2.832 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000011657138 557231225 /nfs/dbraw/zinc/23/12/25/557231225.db2.gz SFWRZHBRNIEIRW-UHFFFAOYSA-N 0 0 431.514 2.693 50 0 IFAARN CC(C)CC(=O)N1CCN([C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 ZINC000024928155 557231504 /nfs/dbraw/zinc/23/15/04/557231504.db2.gz OEGALKBGWUMAMW-AWEZNQCLSA-N 0 0 440.466 2.569 50 0 IFAARN COC(=O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c2ccccc12 ZINC000026061928 557233259 /nfs/dbraw/zinc/23/32/59/557233259.db2.gz YLGFRKRXBPLCIU-UHFFFAOYSA-N 0 0 427.482 2.507 50 0 IFAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000018047297 557233700 /nfs/dbraw/zinc/23/37/00/557233700.db2.gz XGUORRHBOCQQIB-QUCCMNQESA-N 0 0 429.517 2.818 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4ccc(F)cc4)n3n2)s1 ZINC000011694551 557233859 /nfs/dbraw/zinc/23/38/59/557233859.db2.gz RABIZPOOGJRQAO-UHFFFAOYSA-N 0 0 433.490 2.658 50 0 IFAARN COC(=O)c1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1OC ZINC000018060735 557234043 /nfs/dbraw/zinc/23/40/43/557234043.db2.gz UZAODQZKMIILBE-UHFFFAOYSA-N 0 0 446.525 2.586 50 0 IFAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCCc1ccc2c(c1)OCCO2 ZINC000018073639 557235358 /nfs/dbraw/zinc/23/53/58/557235358.db2.gz SOWMSTDOCWFJEZ-UHFFFAOYSA-N 0 0 439.537 2.857 50 0 IFAARN COCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1c[nH]c2ccccc21 ZINC000018115316 557237920 /nfs/dbraw/zinc/23/79/20/557237920.db2.gz QKCLXZPMNFPGAW-UHFFFAOYSA-N 0 0 429.531 2.964 50 0 IFAARN CCCCn1c(N)c(N(C)C(=O)c2cccc(NC(=O)c3cccs3)c2)c(=O)[nH]c1=O ZINC000018119171 557238391 /nfs/dbraw/zinc/23/83/91/557238391.db2.gz UKYBVHOXCQZJTK-UHFFFAOYSA-N 0 0 441.513 2.509 50 0 IFAARN O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000100043827 557238935 /nfs/dbraw/zinc/23/89/35/557238935.db2.gz OQLBDPLUSVHSOV-GOSISDBHSA-N 0 0 427.888 2.518 50 0 IFAARN CCOc1cc2c(cc1CNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)O[C@H](C)C2 ZINC000026357248 557239728 /nfs/dbraw/zinc/23/97/28/557239728.db2.gz KVGYLLZCZPUYPL-CYBMUJFWSA-N 0 0 434.514 2.854 50 0 IFAARN COc1ccc([C@H](O)Cn2cnc(C(=O)N3CCN(c4ccccc4Cl)CC3)n2)cc1 ZINC000583649146 557240377 /nfs/dbraw/zinc/24/03/77/557240377.db2.gz HSTLKCVSBOOKJH-HXUWFJFHSA-N 0 0 441.919 2.636 50 0 IFAARN CCN1CCN(C(=O)c2c(OCc3c(C)noc3C)cc(=O)n3c2CCCCC3)CC1 ZINC000583648790 557241510 /nfs/dbraw/zinc/24/15/10/557241510.db2.gz ODJKUBHTOCHXHP-UHFFFAOYSA-N 0 0 428.533 2.536 50 0 IFAARN COc1ccc(OCCN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000018125177 557241611 /nfs/dbraw/zinc/24/16/11/557241611.db2.gz DSBCFOXKQKLWGR-UHFFFAOYSA-N 0 0 438.571 2.695 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)c(OC)c1 ZINC000583649050 557241934 /nfs/dbraw/zinc/24/19/34/557241934.db2.gz QSOPJOHKYCWLOO-XMMPIXPASA-N 0 0 437.496 2.739 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000018146725 557243453 /nfs/dbraw/zinc/24/34/53/557243453.db2.gz JQLMROYIJZFQTK-UHFFFAOYSA-N 0 0 437.949 2.689 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nc4ccccc4s3)CC2)cc1 ZINC000026541451 557244113 /nfs/dbraw/zinc/24/41/13/557244113.db2.gz QAHSGGRMMBBVQP-UHFFFAOYSA-N 0 0 445.566 2.771 50 0 IFAARN COC(=O)C1CCN(C(=O)CN2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000026603160 557245484 /nfs/dbraw/zinc/24/54/84/557245484.db2.gz GLGABHOSIVLJLP-KRWDZBQOSA-N 0 0 442.343 2.808 50 0 IFAARN O=C(c1cnc2ccc(OC(F)(F)F)cc2c1O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000604404421 557247176 /nfs/dbraw/zinc/24/71/76/557247176.db2.gz NACDMAFBAYCMTJ-OLZOCXBDSA-N 0 0 445.397 2.848 50 0 IFAARN Cc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)ccc1I ZINC000018193991 557247334 /nfs/dbraw/zinc/24/73/34/557247334.db2.gz HGPAQNYSHOEDER-HIFRSBDPSA-N 0 0 446.285 2.766 50 0 IFAARN COc1ccc(CN2C(=O)C[C@H](N3CCC(Nc4ccc5c(c4)OCO5)CC3)C2=O)cc1 ZINC000100210007 557247736 /nfs/dbraw/zinc/24/77/36/557247736.db2.gz IVIDTPHIHNXCRS-FQEVSTJZSA-N 0 0 437.496 2.628 50 0 IFAARN Cc1noc(CCNC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)n1 ZINC000604405180 557248686 /nfs/dbraw/zinc/24/86/86/557248686.db2.gz MGIQIMJBXAJIGS-JOCHJYFZSA-N 0 0 445.479 2.632 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)cc1F ZINC000390829711 557249536 /nfs/dbraw/zinc/24/95/36/557249536.db2.gz GAXGEFHESDLYQE-KRWDZBQOSA-N 0 0 433.548 2.836 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)n(C)c1 ZINC000026865268 557249751 /nfs/dbraw/zinc/24/97/51/557249751.db2.gz UJNQPAWSQLGBOX-OAQYLSRUSA-N 0 0 449.573 2.954 50 0 IFAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000604419644 557251971 /nfs/dbraw/zinc/25/19/71/557251971.db2.gz OFFFOCNZAWTYHK-RXMJPHHWSA-N 0 0 445.519 2.955 50 0 IFAARN O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)NC1CC1 ZINC000018243964 557254018 /nfs/dbraw/zinc/25/40/18/557254018.db2.gz VZLBJLFDDXFMDY-FQEVSTJZSA-N 0 0 439.899 2.984 50 0 IFAARN COc1cc(C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000101111174 557255930 /nfs/dbraw/zinc/25/59/30/557255930.db2.gz KLMLPGSFVRXZFT-QGZVFWFLSA-N 0 0 437.489 2.681 50 0 IFAARN COc1cc(Cl)c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000011013563 557256686 /nfs/dbraw/zinc/25/66/86/557256686.db2.gz GWZZFXHUYQXOCU-UHFFFAOYSA-N 0 0 440.905 2.630 50 0 IFAARN CCOc1ccc(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1S(=O)(=O)N1CCCC1 ZINC000027104196 557257044 /nfs/dbraw/zinc/25/70/44/557257044.db2.gz NGKSXTGPWYNQQY-UHFFFAOYSA-N 0 0 449.529 2.854 50 0 IFAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1SC[C@H]1CCCO1 ZINC000027218181 557258827 /nfs/dbraw/zinc/25/88/27/557258827.db2.gz VNXGFGZERDPZDC-GOSISDBHSA-N 0 0 434.583 2.937 50 0 IFAARN O=S(=O)(Cc1noc2ccccc12)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000390831854 557258834 /nfs/dbraw/zinc/25/88/34/557258834.db2.gz VKXIBNOPVKKSLJ-UHFFFAOYSA-N 0 0 441.435 2.725 50 0 IFAARN COc1ccc(O[C@@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)cc1 ZINC000027295314 557259845 /nfs/dbraw/zinc/25/98/45/557259845.db2.gz NXJXIXCAELTSQG-QFBILLFUSA-N 0 0 437.496 2.907 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2c(cccc2F)s1 ZINC000027379291 557261589 /nfs/dbraw/zinc/26/15/89/557261589.db2.gz SVONWKQMMTWVAA-UHFFFAOYSA-N 0 0 434.514 2.991 50 0 IFAARN CCOc1ccccc1NC(=O)CSc1nc(Cc2ccc(Cl)cc2)n(N)c(=O)n1 ZINC000027643478 557268234 /nfs/dbraw/zinc/26/82/34/557268234.db2.gz LANSFZKNGLHRIW-UHFFFAOYSA-N 0 0 445.932 2.726 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1c2c(sc1NC(=O)[C@@H]1COc3ccccc3O1)CCC2 ZINC000027663164 557269442 /nfs/dbraw/zinc/26/94/42/557269442.db2.gz LZEWWTLTXUSBSU-GUYCJALGSA-N 0 0 428.510 2.924 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1CCCO)N[C@@H]1CCOc2ccccc21 ZINC000027675489 557271275 /nfs/dbraw/zinc/27/12/75/557271275.db2.gz DMZPLCDKTITZNF-GOSISDBHSA-N 0 0 425.510 2.511 50 0 IFAARN Cc1ccc2nc(NC(=O)c3nc(S(C)(=O)=O)ncc3Br)sc2c1 ZINC000027745390 557272461 /nfs/dbraw/zinc/27/24/61/557272461.db2.gz HZZDYPCPJWFRFA-UHFFFAOYSA-N 0 0 427.305 2.813 50 0 IFAARN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000072305322 557283393 /nfs/dbraw/zinc/28/33/93/557283393.db2.gz XRHGCZWBMLBQQX-RDJZCZTQSA-N 0 0 431.489 2.507 50 0 IFAARN Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000031299711 557285399 /nfs/dbraw/zinc/28/53/99/557285399.db2.gz WLZTXZIFXZGJIF-UHFFFAOYSA-N 0 0 441.797 2.854 50 0 IFAARN CCOC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)C(=O)[C@H]1COC(C)(C)CC1=N2 ZINC000101288363 557285803 /nfs/dbraw/zinc/28/58/03/557285803.db2.gz RRJSXEGKEFQWHH-AWEZNQCLSA-N 0 0 441.509 2.972 50 0 IFAARN COc1cc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCCC3)CC2)cc(OC)c1 ZINC000101624345 557292727 /nfs/dbraw/zinc/29/27/27/557292727.db2.gz SLGYWWDPBVRUNA-UHFFFAOYSA-N 0 0 441.528 2.757 50 0 IFAARN CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000011665884 557293780 /nfs/dbraw/zinc/29/37/80/557293780.db2.gz FGFJNRLVOMUPBQ-UHFFFAOYSA-N 0 0 447.474 2.711 50 0 IFAARN CCOC(=O)C1=C(Cn2cnc3ccsc3c2=O)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000031788918 557294071 /nfs/dbraw/zinc/29/40/71/557294071.db2.gz YQINHWJCGKZMRP-INIZCTEOSA-N 0 0 444.900 2.983 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000101716816 557294619 /nfs/dbraw/zinc/29/46/19/557294619.db2.gz NBGBHYQDHLNULT-GASCZTMLSA-N 0 0 427.328 2.880 50 0 IFAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000101863763 557295977 /nfs/dbraw/zinc/29/59/77/557295977.db2.gz ALKCFVQKXGUQPN-GUDVDZBRSA-N 0 0 442.313 2.993 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)cc4OC)ncn3n2)cc1 ZINC000011666427 557299640 /nfs/dbraw/zinc/29/96/40/557299640.db2.gz ZIVBVZRUEAYDFC-UHFFFAOYSA-N 0 0 449.467 2.613 50 0 IFAARN Cc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c2ccccc2n1 ZINC000014120745 557307765 /nfs/dbraw/zinc/30/77/65/557307765.db2.gz YPILKKPBBCPSLF-UHFFFAOYSA-N 0 0 429.473 2.956 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NC[C@H]1CCCc2ccccc21 ZINC000032764684 557315309 /nfs/dbraw/zinc/31/53/09/557315309.db2.gz ADURXVVVMILNDX-QGZVFWFLSA-N 0 0 434.583 2.548 50 0 IFAARN COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C1=O ZINC000102247426 557315415 /nfs/dbraw/zinc/31/54/15/557315415.db2.gz CGBZMHQRCFCXFU-LJQANCHMSA-N 0 0 429.904 2.817 50 0 IFAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000032843973 557316847 /nfs/dbraw/zinc/31/68/47/557316847.db2.gz GNSKBCIVIHBMPV-FQEVSTJZSA-N 0 0 428.514 2.845 50 0 IFAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NCc1ccccn1 ZINC000102288377 557317498 /nfs/dbraw/zinc/31/74/98/557317498.db2.gz RTFRASJISBKNQP-KDURUIRLSA-N 0 0 427.526 2.544 50 0 IFAARN O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000023805196 557318588 /nfs/dbraw/zinc/31/85/88/557318588.db2.gz STYKECDOGKCIAO-UHFFFAOYSA-N 0 0 425.348 2.760 50 0 IFAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102380771 557319890 /nfs/dbraw/zinc/31/98/90/557319890.db2.gz UPNNNTPTZMAHQX-BETUJISGSA-N 0 0 431.905 2.509 50 0 IFAARN CCOC(=O)c1ccc(N[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102415328 557321725 /nfs/dbraw/zinc/32/17/25/557321725.db2.gz ICMHVOPOYIJGJD-GOSISDBHSA-N 0 0 426.469 2.663 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)Nc3ccc(F)cc3)CC1)OCC(=O)N2 ZINC000033072326 557323784 /nfs/dbraw/zinc/32/37/84/557323784.db2.gz CIBMFEHJOAAYQI-UHFFFAOYSA-N 0 0 447.488 2.504 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)C2CCCCC2)nn1)NCc1ccc2c(c1)OCO2 ZINC000033171524 557326569 /nfs/dbraw/zinc/32/65/69/557326569.db2.gz YUWUOFFYKIJVAY-UHFFFAOYSA-N 0 0 449.554 2.720 50 0 IFAARN O=c1/c(=C/c2ccccc2Br)sc2nc([C@H]3COc4ccccc4O3)nn12 ZINC000033162059 557327935 /nfs/dbraw/zinc/32/79/35/557327935.db2.gz QBAIKAJRRZLNOM-AVIKPIRVSA-N 0 0 442.294 2.974 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000033263554 557330127 /nfs/dbraw/zinc/33/01/27/557330127.db2.gz URUCOCLPRNEDCR-GFCCVEGCSA-N 0 0 435.937 2.822 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1 ZINC000000834843 557332585 /nfs/dbraw/zinc/33/25/85/557332585.db2.gz BSZHENVBFWUMKI-KRWDZBQOSA-N 0 0 437.901 2.837 50 0 IFAARN CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccncc3)C2=O)cc1OC ZINC000033466904 557334959 /nfs/dbraw/zinc/33/49/59/557334959.db2.gz HSJLWTUVANXLNE-QGOAFFKASA-N 0 0 427.482 2.955 50 0 IFAARN COc1ccc(/C=C(/NC(=O)c2cccc(Br)c2)C(=O)NCCCO)cc1 ZINC000033442676 557335394 /nfs/dbraw/zinc/33/53/94/557335394.db2.gz OKTKAOUAMIGESD-LDADJPATSA-N 0 0 433.302 2.727 50 0 IFAARN O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1 ZINC000118399834 557343485 /nfs/dbraw/zinc/34/34/85/557343485.db2.gz NYNZQNWKBKUAII-KBXCAEBGSA-N 0 0 428.443 2.948 50 0 in-vitro IFAARN CCOC(=O)c1nc2ccccc2nc1N1CCN(C(=O)c2ccc(Cl)nc2)CC1 ZINC000023332906 557346324 /nfs/dbraw/zinc/34/63/24/557346324.db2.gz CLLZKEIKQKFVCH-UHFFFAOYSA-N 0 0 425.876 2.817 50 0 IFAARN COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Br)cc2)c1 ZINC000100170869 557346622 /nfs/dbraw/zinc/34/66/22/557346622.db2.gz NEQYFFVJHRIPRS-OTWHNJEPSA-N 0 0 442.313 2.993 50 0 IFAARN CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023428758 557354910 /nfs/dbraw/zinc/35/49/10/557354910.db2.gz AYOJCCSLDFTQHM-UHFFFAOYSA-N 0 0 448.449 2.884 50 0 IFAARN O=C(COCc1ccccc1)N1CCc2c(sc3[nH]c(=O)n(-c4ccccc4)c(=O)c23)C1 ZINC000023439381 557357726 /nfs/dbraw/zinc/35/77/26/557357726.db2.gz QJTHNIKUCJFSPL-UHFFFAOYSA-N 0 0 447.516 2.842 50 0 IFAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000102698187 557364919 /nfs/dbraw/zinc/36/49/19/557364919.db2.gz YAASJXNTQJOKMF-HDICACEKSA-N 0 0 433.464 2.837 50 0 IFAARN O=C1C[C@H](N2CCN(Cc3cccs3)CC2)C(=O)N1c1ccccc1Br ZINC000102701027 557365369 /nfs/dbraw/zinc/36/53/69/557365369.db2.gz AOXGWTMOOFRERN-KRWDZBQOSA-N 0 0 434.359 2.960 50 0 IFAARN Cn1ncc2c1ncnc2SCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000011683456 557366617 /nfs/dbraw/zinc/36/66/17/557366617.db2.gz PXZQIECKLNOCBS-UHFFFAOYSA-N 0 0 434.407 2.694 50 0 IFAARN O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220897257 557370182 /nfs/dbraw/zinc/37/01/82/557370182.db2.gz PRYCGVDRGCJOGP-OAHLLOKOSA-N 0 0 435.509 2.989 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000023735235 557372533 /nfs/dbraw/zinc/37/25/33/557372533.db2.gz BQSBVJXTSYJUCY-UHFFFAOYSA-N 0 0 427.979 2.610 50 0 IFAARN COc1ccc(OC)c(-c2ccc(=O)n(CCNC(=O)[C@H](C)Oc3ccccc3F)n2)c1 ZINC000011694465 557392317 /nfs/dbraw/zinc/39/23/17/557392317.db2.gz MLXCEHDTZQTFFN-HNNXBMFYSA-N 0 0 441.459 2.650 50 0 IFAARN O=S(=O)(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1cccc(Cl)c1 ZINC000011694540 557392460 /nfs/dbraw/zinc/39/24/60/557392460.db2.gz VLZZDRUMYHWYEW-UHFFFAOYSA-N 0 0 429.889 2.802 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000102827586 557393986 /nfs/dbraw/zinc/39/39/86/557393986.db2.gz JSQKXMAIWPYSOX-KDURUIRLSA-N 0 0 433.512 2.951 50 0 IFAARN O=C(CCn1nnc2ccccc2c1=O)NCCn1ccc2ccc(Br)cc21 ZINC000072400860 557394168 /nfs/dbraw/zinc/39/41/68/557394168.db2.gz SJAUVXFGYCBBAM-UHFFFAOYSA-N 0 0 440.301 2.715 50 0 IFAARN COC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000011696199 557394378 /nfs/dbraw/zinc/39/43/78/557394378.db2.gz USVRSDFONNVJCS-OCCSQVGLSA-N 0 0 448.570 2.593 50 0 IFAARN COc1ccc(-c2cc(C(=O)NC3CC3)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)cc1 ZINC000011696174 557394381 /nfs/dbraw/zinc/39/43/81/557394381.db2.gz DDEGOQSBFXOGKT-INIZCTEOSA-N 0 0 440.525 2.667 50 0 IFAARN COCCCNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000011696196 557394439 /nfs/dbraw/zinc/39/44/39/557394439.db2.gz SIVQTBSUNPKRPE-AWEZNQCLSA-N 0 0 448.570 2.594 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc2c(c1)OCCO2 ZINC000024067317 557394771 /nfs/dbraw/zinc/39/47/71/557394771.db2.gz FYBNOXKYJXCUMG-USGALAMMSA-N 0 0 429.517 2.772 50 0 IFAARN CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3C)n2CC)s1 ZINC000013956086 557398038 /nfs/dbraw/zinc/39/80/38/557398038.db2.gz VNULYDVCYKSESP-UHFFFAOYSA-N 0 0 445.574 2.932 50 0 IFAARN Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000013956389 557398266 /nfs/dbraw/zinc/39/82/66/557398266.db2.gz DCSFIABZQSTWSR-UHFFFAOYSA-N 0 0 435.431 2.893 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(S[C@H](C)C(=O)NC3CCCCC3)n2C)cc1 ZINC000013956404 557398292 /nfs/dbraw/zinc/39/82/92/557398292.db2.gz AUXYIQCVSORMCD-CQSZACIVSA-N 0 0 431.562 2.683 50 0 IFAARN CC[C@H](Sc1nnc(CC(=O)Nc2ccccc2OC)n1C)C(=O)NC1CCCC1 ZINC000013956501 557398510 /nfs/dbraw/zinc/39/85/10/557398510.db2.gz XGWAAPCALJKTAP-KRWDZBQOSA-N 0 0 431.562 2.934 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3c(F)cccc3F)n2C)cc1 ZINC000013956694 557398777 /nfs/dbraw/zinc/39/87/77/557398777.db2.gz KMXWIVLCOIZLCD-UHFFFAOYSA-N 0 0 447.467 2.763 50 0 IFAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000102863337 557403750 /nfs/dbraw/zinc/40/37/50/557403750.db2.gz CUJINNPSNCDXIT-OALUTQOASA-N 0 0 431.492 2.549 50 0 IFAARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccccc1I ZINC000102881961 557408011 /nfs/dbraw/zinc/40/80/11/557408011.db2.gz CUQKJLNRPOQWPH-RYUDHWBXSA-N 0 0 426.254 2.795 50 0 IFAARN O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000033530980 557408175 /nfs/dbraw/zinc/40/81/75/557408175.db2.gz XSRPSNUNCJFARC-UHFFFAOYSA-N 0 0 431.351 2.673 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000102905144 557411653 /nfs/dbraw/zinc/41/16/53/557411653.db2.gz DPVDVYNFJBOSPJ-ZIAGYGMSSA-N 0 0 427.482 2.695 50 0 IFAARN Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)n1CC(F)(F)F ZINC000103148128 557423838 /nfs/dbraw/zinc/42/38/38/557423838.db2.gz VNHZAVXFQQZYPJ-RRFJBIMHSA-N 0 0 442.434 2.957 50 0 IFAARN NC(=O)[C@H]1CN(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c2ccccc2O1 ZINC000103367232 557434092 /nfs/dbraw/zinc/43/40/92/557434092.db2.gz KMSMQGDXTUHNOG-WIYYLYMNSA-N 0 0 425.485 2.846 50 0 IFAARN COCCN1C(=O)[C@H]2[C@H]3C=Cc4ccc5cccnc5c4N3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000103461557 557437683 /nfs/dbraw/zinc/43/76/83/557437683.db2.gz HJLLEAXAUCBGJM-OEMYIYORSA-N 0 0 433.508 2.682 50 0 IFAARN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 ZINC000103711889 557440682 /nfs/dbraw/zinc/44/06/82/557440682.db2.gz ITEDZYPBKAVXRB-QRWLVFNGSA-N 0 0 434.558 2.871 50 0 IFAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)c(OC)c1 ZINC000169759867 557461389 /nfs/dbraw/zinc/46/13/89/557461389.db2.gz ZCIPYXOMJQDILG-JOCHJYFZSA-N 0 0 437.452 2.831 50 0 IFAARN COC(=O)C1C(CN2CCN(c3ccc(C)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318441 557469882 /nfs/dbraw/zinc/46/98/82/557469882.db2.gz YKBPTKBATPJGHS-HSZRJFAPSA-N 0 0 434.540 2.907 50 0 IFAARN COC(=O)C1C(CN2CCN(c3cccc(C)c3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318367 557469910 /nfs/dbraw/zinc/46/99/10/557469910.db2.gz OHCZCQOEWDJONA-QHCPKHFHSA-N 0 0 434.540 2.907 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccccc3)c2=O)c1 ZINC000051319573 557470892 /nfs/dbraw/zinc/47/08/92/557470892.db2.gz HDNHBIKRDLITCA-UHFFFAOYSA-N 0 0 435.505 2.598 50 0 IFAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@H]4C2=O)no1 ZINC000106015581 557512630 /nfs/dbraw/zinc/51/26/30/557512630.db2.gz YPEQOEBOCSTMRV-FVQSIRDASA-N 0 0 435.358 2.807 50 0 IFAARN CC[C@@H](C)NC(=O)Cn1nc(SC)c(-c2nc(-c3ccc4c(c3)OCO4)no2)c1N ZINC000046915353 557514283 /nfs/dbraw/zinc/51/42/83/557514283.db2.gz PXMUTDWWJZUWOC-SNVBAGLBSA-N 0 0 430.490 2.548 50 0 IFAARN CSc1nn(CC(=O)NC[C@H]2CCCO2)c(N)c1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000046915401 557514286 /nfs/dbraw/zinc/51/42/86/557514286.db2.gz HKALWPNRPWCCDS-CYBMUJFWSA-N 0 0 448.936 2.853 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000110530816 557514532 /nfs/dbraw/zinc/51/45/32/557514532.db2.gz RXEWNYZQGWEPRF-NZSAHSFTSA-N 0 0 425.547 2.821 50 0 IFAARN Cc1ccc(Cn2cnc(NC(=O)CCn3c4nn(C)cc4c(C(F)F)cc3=O)n2)cc1 ZINC000036621290 557517057 /nfs/dbraw/zinc/51/70/57/557517057.db2.gz CIISZNOUZFTOII-UHFFFAOYSA-N 0 0 441.442 2.650 50 0 IFAARN CCn1nc(C)c(S(=O)(=O)N2CCN(Cc3cccc(Br)c3)CC2)c1C ZINC000036614571 557517332 /nfs/dbraw/zinc/51/73/32/557517332.db2.gz CETWQOIPCUXTTL-UHFFFAOYSA-N 0 0 441.395 2.789 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccccc2)c1 ZINC000047147366 557517777 /nfs/dbraw/zinc/51/77/77/557517777.db2.gz RUQBMFCJTDSZTM-UHFFFAOYSA-N 0 0 438.509 2.975 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCCN2CCCCCC2=O)cc1 ZINC000036674321 557518280 /nfs/dbraw/zinc/51/82/80/557518280.db2.gz WNPJXIZEIUIJLE-FQEVSTJZSA-N 0 0 437.606 2.597 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1=O ZINC000018415566 557519784 /nfs/dbraw/zinc/51/97/84/557519784.db2.gz ZLRNPXZNEKXRPI-QFIPXVFZSA-N 0 0 442.903 2.594 50 0 IFAARN Cc1cccc(CC(=O)NCCn2ncc3c2ncn(Cc2cccc(Cl)c2)c3=O)c1 ZINC000012071467 557526570 /nfs/dbraw/zinc/52/65/70/557526570.db2.gz UGUVAUASNRCRMR-UHFFFAOYSA-N 0 0 435.915 2.962 50 0 IFAARN CC(C)OCCOC[C@H](O)CN(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000106530216 557529969 /nfs/dbraw/zinc/52/99/69/557529969.db2.gz QCYAKHFZJSIUPG-ZIFCJYIRSA-N 0 0 441.544 2.706 50 0 IFAARN CCO[C@H](C)c1noc(CN2CCCN([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)n1 ZINC000107145848 557534834 /nfs/dbraw/zinc/53/48/34/557534834.db2.gz HGCNSMNQQXXFPJ-RTBURBONSA-N 0 0 429.565 2.722 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)c(C)c1 ZINC000044837110 557538813 /nfs/dbraw/zinc/53/88/13/557538813.db2.gz OADLTCVDYAGTCB-UHFFFAOYSA-N 0 0 438.438 2.878 50 0 IFAARN CC(C)CCC[C@H](C)NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000044921390 557541056 /nfs/dbraw/zinc/54/10/56/557541056.db2.gz FTEHIELAEPTDOH-FQEVSTJZSA-N 0 0 425.577 2.901 50 0 IFAARN C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@@H]4NC(=O)NC4=O)cc3)cc2)C1 ZINC000108156065 557541442 /nfs/dbraw/zinc/54/14/42/557541442.db2.gz ALBLZTDCLVJBTB-JTSKRJEESA-N 0 0 449.555 2.991 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000108173176 557541980 /nfs/dbraw/zinc/54/19/80/557541980.db2.gz UUILXXJBTPJLBS-CVEARBPZSA-N 0 0 425.348 2.834 50 0 IFAARN COc1ccc([C@@H]2[C@@H](C(=O)O[C@H](C)C(N)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000108843252 557544000 /nfs/dbraw/zinc/54/40/00/557544000.db2.gz JXUJEYSAOSCDJG-FXCLAUTBSA-N 0 0 440.496 2.914 50 0 IFAARN CCCN(CC(=O)NN1C(=O)N[C@@](C)(CC)C1=O)[C@H](C)c1ccccc1Br ZINC000109038085 557545418 /nfs/dbraw/zinc/54/54/18/557545418.db2.gz BIZRHAWLQIZJST-YJYMSZOUSA-N 0 0 439.354 2.974 50 0 IFAARN Cc1ccc(CNC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)cc1 ZINC000045924988 557549917 /nfs/dbraw/zinc/54/99/17/557549917.db2.gz DGHDOYKUYLMGCV-UHFFFAOYSA-N 0 0 434.568 2.670 50 0 IFAARN O=C(Cn1cnc2nc(N3CCSCC3)sc2c1=O)Nc1ccc(F)cc1Cl ZINC000045970681 557558038 /nfs/dbraw/zinc/55/80/38/557558038.db2.gz OKADDRIPRZDUEA-UHFFFAOYSA-N 0 0 439.925 2.837 50 0 IFAARN O=C(Cn1cnc2nc(N3CCSCC3)sc2c1=O)Nc1ccc(Cl)cc1F ZINC000045970714 557558047 /nfs/dbraw/zinc/55/80/47/557558047.db2.gz HFZFKABRWSBNIP-UHFFFAOYSA-N 0 0 439.925 2.837 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)c1 ZINC000045970786 557558388 /nfs/dbraw/zinc/55/83/88/557558388.db2.gz RXAKTDPPLCJBNA-UHFFFAOYSA-N 0 0 443.529 2.972 50 0 IFAARN COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000606422482 557636097 /nfs/dbraw/zinc/63/60/97/557636097.db2.gz VAJPBFOGRLLPGU-UHFFFAOYSA-N 0 0 445.472 2.778 50 0 IFAARN CC1=C(C(=O)O[C@H](C)c2nc3cc(Br)cnc3[nH]2)[C@@H](C)n2ncnc2N1C ZINC000225388479 557717590 /nfs/dbraw/zinc/71/75/90/557717590.db2.gz JHLAHBWRBFFXBQ-NXEZZACHSA-N 0 0 432.282 2.901 50 0 IFAARN O=C(COC[C@@H]1CCCO1)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000225444921 557723539 /nfs/dbraw/zinc/72/35/39/557723539.db2.gz GUUDAYOWHOQDLL-SMDDNHRTSA-N 0 0 426.229 2.813 50 0 IFAARN CNC(=O)C[C@@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 ZINC000225475695 557727278 /nfs/dbraw/zinc/72/72/78/557727278.db2.gz HVHQUZPISXSISF-QZTJIDSGSA-N 0 0 444.329 2.796 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)NC2(CCC3(CC2)OCCO3)C1=O)c1ccc2ccccc2c1 ZINC000225485971 557728477 /nfs/dbraw/zinc/72/84/77/557728477.db2.gz RYGPIHLKNPFMML-MRXNPFEDSA-N 0 0 437.496 2.625 50 0 IFAARN C[C@@H](CCC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000225496603 557730214 /nfs/dbraw/zinc/73/02/14/557730214.db2.gz YJTLVQVMOJLAEW-DZGCQCFKSA-N 0 0 440.566 2.752 50 0 IFAARN O=C(c1cc(Br)c[nH]1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000225564214 557743030 /nfs/dbraw/zinc/74/30/30/557743030.db2.gz NFBPCHCCSLNGCY-LJQANCHMSA-N 0 0 445.361 2.726 50 0 IFAARN Cn1nccc1N1CCC[C@H](NC(=O)c2oc3ccccc3c2CSc2nc[nH]n2)C1 ZINC000225566116 557743418 /nfs/dbraw/zinc/74/34/18/557743418.db2.gz OJAAVZPFKFKBJP-AWEZNQCLSA-N 0 0 437.529 2.976 50 0 IFAARN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@@H](CO)c1cccc(Cl)c1F ZINC000225610539 557751312 /nfs/dbraw/zinc/75/13/12/557751312.db2.gz PXRQFZGFLDGYIV-HNNXBMFYSA-N 0 0 435.304 2.651 50 0 IFAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(C(F)(F)F)cs1 ZINC000225612982 557752003 /nfs/dbraw/zinc/75/20/03/557752003.db2.gz OJWHGWGNLVJTPG-LLVKDONJSA-N 0 0 449.476 2.674 50 0 IFAARN CCOC(=O)[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1c(C)nn(-c2ccccc2)c1C ZINC000225668144 557759886 /nfs/dbraw/zinc/75/98/86/557759886.db2.gz FTVYTCPPWLJDCC-SJLPKXTDSA-N 0 0 438.450 2.846 50 0 IFAARN Cc1ccc(C2=NO[C@H](CNC(=O)c3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)C2)cc1 ZINC000225744073 557772057 /nfs/dbraw/zinc/77/20/57/557772057.db2.gz HUDDPHCGUJMMKR-OALUTQOASA-N 0 0 447.491 2.693 50 0 IFAARN CCOC(=O)[C@H]1CC[C@@H](C(=O)OCC)N1C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000225773405 557775533 /nfs/dbraw/zinc/77/55/33/557775533.db2.gz QPOCYILDONMHQG-KDURUIRLSA-N 0 0 443.500 2.544 50 0 IFAARN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000225808833 557779614 /nfs/dbraw/zinc/77/96/14/557779614.db2.gz QSVNYBQVWHEDAZ-QGZVFWFLSA-N 0 0 438.557 2.740 50 0 IFAARN Cn1cnnc1[C@H]1CCCN1c1cc(N2CCC[C@@H]2c2nncn2C)nc(C(C)(C)C)n1 ZINC000225823204 557781430 /nfs/dbraw/zinc/78/14/30/557781430.db2.gz KEOPOQPUYHRADP-HZPDHXFCSA-N 0 0 436.568 2.714 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)CN1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000225843367 557784279 /nfs/dbraw/zinc/78/42/79/557784279.db2.gz QSKRQRRVLVWEHO-HXUWFJFHSA-N 0 0 444.601 2.722 50 0 IFAARN CC(=O)CCS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)CCC(C)=O)cc2)cc1 ZINC000000859522 557831549 /nfs/dbraw/zinc/83/15/49/557831549.db2.gz PRHVLIQUGJDCPL-UHFFFAOYSA-N 0 0 436.551 2.783 50 0 IFAARN C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@@H]2CCCC[C@@H]12 ZINC000229578014 557832785 /nfs/dbraw/zinc/83/27/85/557832785.db2.gz IOGWZIOWWQYFPJ-NZSAHSFTSA-N 0 0 436.574 2.944 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2)C[C@H](C)O1 ZINC000014183737 557836828 /nfs/dbraw/zinc/83/68/28/557836828.db2.gz MKOKGBWIPUKIPW-YRNRMSPPSA-N 0 0 430.526 2.738 50 0 IFAARN COC(=O)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1 ZINC000239432770 557844700 /nfs/dbraw/zinc/84/47/00/557844700.db2.gz WJJKXBNBEFDEDD-ZRGWGRIASA-N 0 0 440.349 2.716 50 0 IFAARN O=S(=O)(c1ccccc1)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 ZINC000239882111 557845199 /nfs/dbraw/zinc/84/51/99/557845199.db2.gz DAHMFNHNRAWEOS-UHFFFAOYSA-N 0 0 433.331 2.836 50 0 IFAARN CN(C)c1ncc(C=C(C(=O)NCCc2ccccc2)C(=O)NCCc2ccccc2)n1C ZINC000241121871 557845723 /nfs/dbraw/zinc/84/57/23/557845723.db2.gz JEJRCNMWPIAJGJ-UHFFFAOYSA-N 0 0 445.567 2.587 50 0 IFAARN COCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000241965494 557847318 /nfs/dbraw/zinc/84/73/18/557847318.db2.gz UTHZKWNJENFJLR-OKILXGFUSA-N 0 0 425.327 2.880 50 0 IFAARN COc1ccccc1NC(=O)COc1ccc(C(=O)N2CC[C@H](O)C2(C)C)cc1OC ZINC000242302253 557847460 /nfs/dbraw/zinc/84/74/60/557847460.db2.gz YQVSPLBTJYUMOA-FQEVSTJZSA-N 0 0 428.485 2.707 50 0 IFAARN CCCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000018700328 557854749 /nfs/dbraw/zinc/85/47/49/557854749.db2.gz JIDLHONBGCGGOE-CQSZACIVSA-N 0 0 449.960 2.736 50 0 IFAARN COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000885032 557855156 /nfs/dbraw/zinc/85/51/56/557855156.db2.gz PUKGCHUVBLHROQ-UHFFFAOYSA-N 0 0 448.541 2.967 50 0 IFAARN COc1cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)ccc1OC(F)F ZINC000025060174 557862179 /nfs/dbraw/zinc/86/21/79/557862179.db2.gz OZRDOYQPQLETNO-UHFFFAOYSA-N 0 0 443.454 2.780 50 0 IFAARN O=C(CN1CCC(C(=O)N2CCCC2)CC1)Nc1ccc(I)cc1 ZINC000025061653 557862341 /nfs/dbraw/zinc/86/23/41/557862341.db2.gz MKRNBHBOTBNMQB-UHFFFAOYSA-N 0 0 441.313 2.564 50 0 IFAARN c1ccc(COc2ccc(Oc3nc(N4CCCCC4)nc(N4CCOCC4)n3)nn2)cc1 ZINC000001062839 562920210 /nfs/dbraw/zinc/92/02/10/562920210.db2.gz GSTYOSKTMANUGO-UHFFFAOYSA-N 0 0 449.515 2.860 50 0 IFAARN COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000002187066 562926134 /nfs/dbraw/zinc/92/61/34/562926134.db2.gz JQNACLIZFMFLSZ-UHFFFAOYSA-N 0 0 447.509 2.948 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000002225515 562926434 /nfs/dbraw/zinc/92/64/34/562926434.db2.gz UJHXXLFVTXHFBH-DOTOQJQBSA-N 0 0 430.888 2.857 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCc1c(C)noc1C)n2C ZINC000002630145 562928848 /nfs/dbraw/zinc/92/88/48/562928848.db2.gz KZVDFJJRPATABR-UHFFFAOYSA-N 0 0 448.545 2.885 50 0 IFAARN NC(=O)c1cc(NC(=O)c2cc(Br)c(Br)s2)cc(C(N)=O)c1 ZINC000002632870 562928924 /nfs/dbraw/zinc/92/89/24/562928924.db2.gz YVVJGTAQGMEAGI-UHFFFAOYSA-N 0 0 447.108 2.723 50 0 IFAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000002651658 562929344 /nfs/dbraw/zinc/92/93/44/562929344.db2.gz VEYANGCLRUWTEQ-NSHDSACASA-N 0 0 427.288 2.938 50 0 IFAARN CCOC(=O)Cc1csc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 ZINC000002653469 562929371 /nfs/dbraw/zinc/92/93/71/562929371.db2.gz KJLSJERLCUZMDK-UHFFFAOYSA-N 0 0 425.557 2.629 50 0 IFAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000002658361 562929534 /nfs/dbraw/zinc/92/95/34/562929534.db2.gz QUNXCQLHSJJXIF-NRFANRHFSA-N 0 0 429.498 2.947 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)NCCc2ccccc2)C(C)C)cc1 ZINC000002938965 562930881 /nfs/dbraw/zinc/93/08/81/562930881.db2.gz DVCSODWQODPIDZ-OAQYLSRUSA-N 0 0 431.558 2.697 50 0 IFAARN O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000002939192 562930904 /nfs/dbraw/zinc/93/09/04/562930904.db2.gz RUSDEGFQTCVSCN-UHFFFAOYSA-N 0 0 427.295 2.735 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCOC(=O)c2ccc(F)cc2F)cc1 ZINC000003207355 562932821 /nfs/dbraw/zinc/93/28/21/562932821.db2.gz FKDQMRUUDGBLHP-UHFFFAOYSA-N 0 0 440.468 2.582 50 0 IFAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)NCc1ccccc1 ZINC000003235144 562933123 /nfs/dbraw/zinc/93/31/23/562933123.db2.gz LPFHSHSBRYHXSZ-UHFFFAOYSA-N 0 0 436.917 2.598 50 0 IFAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)NCc1ccco1 ZINC000003245840 562933262 /nfs/dbraw/zinc/93/32/62/562933262.db2.gz HFBJETZZTIZXTB-UHFFFAOYSA-N 0 0 440.905 2.581 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1 ZINC000003281108 562933658 /nfs/dbraw/zinc/93/36/58/562933658.db2.gz ZGHMBPNJKBXXOG-FQEVSTJZSA-N 0 0 429.448 2.720 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccco2)c1 ZINC000003316728 562934145 /nfs/dbraw/zinc/93/41/45/562934145.db2.gz GIQAOFILXSPSAG-UHFFFAOYSA-N 0 0 428.466 2.578 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000003355578 562934757 /nfs/dbraw/zinc/93/47/57/562934757.db2.gz JBFGNJPQRHYAFS-UHFFFAOYSA-N 0 0 440.905 2.534 50 0 IFAARN COc1ccc(OC)c(-c2csc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)n2)c1 ZINC000003397431 562935168 /nfs/dbraw/zinc/93/51/68/562935168.db2.gz HLWACJVZBZVSOH-UHFFFAOYSA-N 0 0 438.465 2.882 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)COC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000003416530 562935474 /nfs/dbraw/zinc/93/54/74/562935474.db2.gz ZNKRMFJRLKSYPN-UHFFFAOYSA-N 0 0 430.844 2.907 50 0 IFAARN CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003426551 562935650 /nfs/dbraw/zinc/93/56/50/562935650.db2.gz HQBMSRKSCRUKIE-UHFFFAOYSA-N 0 0 438.933 2.512 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccc(F)cc1 ZINC000003437925 562935855 /nfs/dbraw/zinc/93/58/55/562935855.db2.gz NSROJVMDXOOCAP-UHFFFAOYSA-N 0 0 448.516 2.864 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000003571444 562936472 /nfs/dbraw/zinc/93/64/72/562936472.db2.gz GXQVHUYVNAPOBJ-UHFFFAOYSA-N 0 0 442.493 2.537 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1 ZINC000003958825 562940051 /nfs/dbraw/zinc/94/00/51/562940051.db2.gz LFVVACFQDAWRIX-UHFFFAOYSA-N 0 0 432.571 2.857 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)N2CCCCC2)cn3C)CC1 ZINC000004034509 562940916 /nfs/dbraw/zinc/94/09/16/562940916.db2.gz MVMQEGNWCVYQOW-UHFFFAOYSA-N 0 0 431.558 2.585 50 0 IFAARN O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000004195151 562942531 /nfs/dbraw/zinc/94/25/31/562942531.db2.gz YSQNWSYRQLMCSP-UHFFFAOYSA-N 0 0 428.460 2.758 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)c1 ZINC000004195459 562942611 /nfs/dbraw/zinc/94/26/11/562942611.db2.gz HHBBFYFMZRXIIC-UHFFFAOYSA-N 0 0 442.545 2.870 50 0 IFAARN CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc32)CC1 ZINC000006530071 562947031 /nfs/dbraw/zinc/94/70/31/562947031.db2.gz JVLRPPZGCRITSM-UHFFFAOYSA-N 0 0 431.540 2.867 50 0 IFAARN C[C@@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C1 ZINC000006531073 562947175 /nfs/dbraw/zinc/94/71/75/562947175.db2.gz JBFWJJPWKGSFID-GASCZTMLSA-N 0 0 429.952 2.613 50 0 IFAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000006576989 562947369 /nfs/dbraw/zinc/94/73/69/562947369.db2.gz UWYOPWDMFYQLFQ-FQEVSTJZSA-N 0 0 430.574 2.631 50 0 IFAARN Cn1cccc1Cc1nnc(SCC(=O)NC[C@H]2CCCO2)n1-c1ccc(F)cc1 ZINC000006577337 562947529 /nfs/dbraw/zinc/94/75/29/562947529.db2.gz VSPDCSSRROXDMQ-GOSISDBHSA-N 0 0 429.521 2.723 50 0 IFAARN COc1ccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)NCc2ccccc2)cc1 ZINC000008583953 562949929 /nfs/dbraw/zinc/94/99/29/562949929.db2.gz FAVMBAYFSREHLM-UHFFFAOYSA-N 0 0 434.525 2.954 50 0 IFAARN Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N3CCc4ccccc43)s2)cc1 ZINC000008588030 562950590 /nfs/dbraw/zinc/95/05/90/562950590.db2.gz HDVGGYQYFVSKHB-UHFFFAOYSA-N 0 0 430.511 2.615 50 0 IFAARN Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NCc3ccc(C)cc3)cc1CC2 ZINC000008588870 562950933 /nfs/dbraw/zinc/95/09/33/562950933.db2.gz VKYRDIVKTFZHFH-UHFFFAOYSA-N 0 0 448.523 2.647 50 0 IFAARN CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccccc2F)n1)c1ccccc1Cl ZINC000008590712 562951897 /nfs/dbraw/zinc/95/18/97/562951897.db2.gz KZMRHDOUEZDNDX-QGZVFWFLSA-N 0 0 431.855 2.943 50 0 IFAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccc(C)cc3)c(=O)n1CC(=O)N1CCCC1)n2C ZINC000008591925 562952160 /nfs/dbraw/zinc/95/21/60/562952160.db2.gz ZRZXAVWYWQCBDB-UHFFFAOYSA-N 0 0 446.507 2.584 50 0 IFAARN COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3Cl)c2N)cc1Cl ZINC000008595503 562953541 /nfs/dbraw/zinc/95/35/41/562953541.db2.gz FKAICRSSHPHRLF-UHFFFAOYSA-N 0 0 449.298 2.744 50 0 IFAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(C)cc1 ZINC000008596608 562953847 /nfs/dbraw/zinc/95/38/47/562953847.db2.gz WRPXLASKKKHBIT-UHFFFAOYSA-N 0 0 444.532 2.996 50 0 IFAARN O=C1CS(=O)(=O)[C@]2(c3ccccc3N(Cc3cccc(F)c3)C2=O)N1c1ccccc1 ZINC000008597690 562954038 /nfs/dbraw/zinc/95/40/38/562954038.db2.gz CYKPDVJOXUTIHL-QHCPKHFHSA-N 0 0 436.464 2.987 50 0 IFAARN COc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4)nn23)cc1OC ZINC000008601405 562955305 /nfs/dbraw/zinc/95/53/05/562955305.db2.gz PZKCUKQWNOVFAD-UHFFFAOYSA-N 0 0 444.538 2.996 50 0 IFAARN Cc1cccc2sc(N3CCN(C(=O)CS(=O)(=O)c4ccc(F)cc4)CC3)nc21 ZINC000008601720 562955582 /nfs/dbraw/zinc/95/55/82/562955582.db2.gz WOUMWXRAAHYXMR-UHFFFAOYSA-N 0 0 433.530 2.866 50 0 IFAARN C=C1C(N2CCC(C(=O)NCCc3ccco3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000008603686 562956075 /nfs/dbraw/zinc/95/60/75/562956075.db2.gz AKUXTAQASYJMAW-UHFFFAOYSA-N 0 0 445.516 2.963 50 0 IFAARN COc1ccc(CCNC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1OC ZINC000008609334 562957777 /nfs/dbraw/zinc/95/77/77/562957777.db2.gz UYPKIKXEZFEVBI-UHFFFAOYSA-N 0 0 435.406 2.735 50 0 IFAARN CC(=O)c1ccc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000008611770 562958696 /nfs/dbraw/zinc/95/86/96/562958696.db2.gz JNBLLNIHVNIKFM-UHFFFAOYSA-N 0 0 440.525 2.689 50 0 IFAARN O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1 ZINC000008627050 562960076 /nfs/dbraw/zinc/96/00/76/562960076.db2.gz VXISMRXAPRWJRY-INIZCTEOSA-N 0 0 434.564 2.757 50 0 IFAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)c1 ZINC000008671657 562960932 /nfs/dbraw/zinc/96/09/32/562960932.db2.gz YJCIHNIFSHMFRF-INIZCTEOSA-N 0 0 430.511 2.686 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000008680943 562961660 /nfs/dbraw/zinc/96/16/60/562961660.db2.gz IDOKZVLWQAAHJT-BEFAXECRSA-N 0 0 434.514 2.610 50 0 IFAARN O=C(Nc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000008684389 562962156 /nfs/dbraw/zinc/96/21/56/562962156.db2.gz YYPDMYNBXXIBFD-UHFFFAOYSA-N 0 0 430.530 2.952 50 0 IFAARN COc1ccc(-c2nnc3ccc(SCC(=O)Nc4nccs4)nn32)cc1OC ZINC000008684496 562962180 /nfs/dbraw/zinc/96/21/80/562962180.db2.gz IUCBALRJJAZKQE-UHFFFAOYSA-N 0 0 428.499 2.996 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C[C@H](c3ccc(Br)cc3)C(C(=O)[C@@H]3CO3)=N2)cc1 ZINC000008691098 562963399 /nfs/dbraw/zinc/96/33/99/562963399.db2.gz ZIMLEDCHIJAGIL-SJORKVTESA-N 0 0 449.326 2.870 50 0 IFAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)O[C@H](C(=O)NC(N)=O)C(C)C ZINC000008694147 562963720 /nfs/dbraw/zinc/96/37/20/562963720.db2.gz PLDAYNFWZVTSDN-AWEZNQCLSA-N 0 0 427.288 2.923 50 0 IFAARN COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000008860946 562965399 /nfs/dbraw/zinc/96/53/99/562965399.db2.gz BDVYVQZEQBUOEU-UHFFFAOYSA-N 0 0 430.526 2.968 50 0 IFAARN C[C@]1(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)CCS(=O)(=O)C1 ZINC000008862529 562965479 /nfs/dbraw/zinc/96/54/79/562965479.db2.gz AQFDSRQBWQQCAF-FQEVSTJZSA-N 0 0 445.570 2.547 50 0 IFAARN COc1ccc2c(C)c(CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(=O)oc2c1C ZINC000008877183 562965612 /nfs/dbraw/zinc/96/56/12/562965612.db2.gz SVIHOCZSGOJFBC-SJORKVTESA-N 0 0 434.492 2.769 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)sc2n1 ZINC000008933781 562966133 /nfs/dbraw/zinc/96/61/33/562966133.db2.gz JOAGFGFFIXNKHK-HNNXBMFYSA-N 0 0 431.949 2.688 50 0 IFAARN O=C(Cn1c2cccnc2c(=O)n(Cc2cccnc2)c1=O)c1ccc2c(c1)CCCC2 ZINC000009001224 562966568 /nfs/dbraw/zinc/96/65/68/562966568.db2.gz AAAWYUFEOJJKAA-UHFFFAOYSA-N 0 0 426.476 2.763 50 0 IFAARN CC(NN1CCCC[C@H]1c1cccnc1)=C1C(=O)NC(=S)N(C2CCCCC2)C1=O ZINC000009111609 562967118 /nfs/dbraw/zinc/96/71/18/562967118.db2.gz JSLFMQXCOCNGKU-CMAIMYMYSA-N 0 0 427.574 2.963 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)cc1OC ZINC000009117017 562967309 /nfs/dbraw/zinc/96/73/09/562967309.db2.gz FOEVGRFYZVYCOB-HNNXBMFYSA-N 0 0 444.553 2.912 50 0 IFAARN CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1 ZINC000009119416 562967326 /nfs/dbraw/zinc/96/73/26/562967326.db2.gz DBODHWZKSQTFLQ-UHFFFAOYSA-N 0 0 431.558 2.688 50 0 IFAARN Cc1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000009121331 562967362 /nfs/dbraw/zinc/96/73/62/562967362.db2.gz KHIWRNWCTVDZIA-UHFFFAOYSA-N 0 0 441.912 2.859 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000009120341 562967368 /nfs/dbraw/zinc/96/73/68/562967368.db2.gz HERYWJXUOISCRU-UHFFFAOYSA-N 0 0 443.424 2.844 50 0 IFAARN CCCN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000009120081 562967372 /nfs/dbraw/zinc/96/73/72/562967372.db2.gz HMFPZLBZQWFDSV-UHFFFAOYSA-N 0 0 436.434 2.780 50 0 IFAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)Nc2cccnc2Cl)C(C)C)c1 ZINC000009128675 562967688 /nfs/dbraw/zinc/96/76/88/562967688.db2.gz SLERZRKEFJQPJY-SFHVURJKSA-N 0 0 449.891 2.689 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)NC[C@H]3CCCO3)ccc2C)cc1 ZINC000009139064 562967758 /nfs/dbraw/zinc/96/77/58/562967758.db2.gz OIUTVWNZPVTYTF-LJQANCHMSA-N 0 0 446.525 2.556 50 0 IFAARN COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3cccc(F)c3)s2)cc1 ZINC000009224677 562968267 /nfs/dbraw/zinc/96/82/67/562968267.db2.gz NYFTWOGVSSOLQI-UHFFFAOYSA-N 0 0 436.490 2.759 50 0 IFAARN O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)Nc1ccc2c(c1)OCO2 ZINC000009277355 562968827 /nfs/dbraw/zinc/96/88/27/562968827.db2.gz TVOWLAWSSMFTRZ-UHFFFAOYSA-N 0 0 430.417 2.598 50 0 IFAARN CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)CC1 ZINC000009429427 562970570 /nfs/dbraw/zinc/97/05/70/562970570.db2.gz BTDWRUWFBLMMOV-INIZCTEOSA-N 0 0 447.601 2.691 50 0 IFAARN Cc1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000009431319 562970694 /nfs/dbraw/zinc/97/06/94/562970694.db2.gz QHDCUYPPWQXTEJ-OAHLLOKOSA-N 0 0 442.331 2.945 50 0 IFAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1C ZINC000009432351 562970774 /nfs/dbraw/zinc/97/07/74/562970774.db2.gz PPDLTXMSPRGZJI-UHFFFAOYSA-N 0 0 443.525 2.674 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)CCS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)[C@@H]1C ZINC000009440398 562971133 /nfs/dbraw/zinc/97/11/33/562971133.db2.gz ASAZTYSECYWUMN-YRGRVCCFSA-N 0 0 428.938 2.776 50 0 IFAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCn3ccnc3)c2)cc1 ZINC000009468568 562971700 /nfs/dbraw/zinc/97/17/00/562971700.db2.gz YJSPIHRIJZYDAV-UHFFFAOYSA-N 0 0 428.514 2.903 50 0 IFAARN CCc1ccc(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)cc1 ZINC000009469243 562971795 /nfs/dbraw/zinc/97/17/95/562971795.db2.gz NSHPRIPYZBSEOB-UHFFFAOYSA-N 0 0 444.542 2.586 50 0 IFAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CC3)ccc2N2CCOCC2)cc1 ZINC000009493811 562972242 /nfs/dbraw/zinc/97/22/42/562972242.db2.gz SRJQXJIPLYYNEK-UHFFFAOYSA-N 0 0 431.514 2.681 50 0 IFAARN Cc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2n1 ZINC000009509800 562972657 /nfs/dbraw/zinc/97/26/57/562972657.db2.gz UPATWNSHMMMERP-UHFFFAOYSA-N 0 0 427.482 2.589 50 0 IFAARN Cc1cc(C)n2nc(C(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)nc2n1 ZINC000009511204 562972734 /nfs/dbraw/zinc/97/27/34/562972734.db2.gz USCHYPGJLLLCNH-UHFFFAOYSA-N 0 0 436.497 2.819 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C(C)(C)C)CS(=O)(=O)C4)CC2=O)cc1C ZINC000009517997 562972808 /nfs/dbraw/zinc/97/28/08/562972808.db2.gz RHOMFDRMFMJQPH-HNNXBMFYSA-N 0 0 444.557 2.675 50 0 IFAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccccc1F ZINC000009519626 562972872 /nfs/dbraw/zinc/97/28/72/562972872.db2.gz FTHRZORCEDUUEV-UHFFFAOYSA-N 0 0 443.500 2.815 50 0 IFAARN Cc1ccc(C)c(OCCC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1 ZINC000009587506 562973607 /nfs/dbraw/zinc/97/36/07/562973607.db2.gz ADYVPTJDJLZQQM-UHFFFAOYSA-N 0 0 438.496 2.884 50 0 IFAARN CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000009599622 562973863 /nfs/dbraw/zinc/97/38/63/562973863.db2.gz JZDUSKPCVBDDMP-KRWDZBQOSA-N 0 0 442.497 2.788 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]n2)cc1 ZINC000009610951 562974060 /nfs/dbraw/zinc/97/40/60/562974060.db2.gz YSQKDDWZASWPIB-UHFFFAOYSA-N 0 0 440.525 2.540 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccc(C)cc4)n[nH]3)CC2)cc1 ZINC000009610942 562974090 /nfs/dbraw/zinc/97/40/90/562974090.db2.gz QKEZUHWSDLTYHX-UHFFFAOYSA-N 0 0 440.525 2.540 50 0 IFAARN COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)OCc3ccccc3)c2=O)cc1OC ZINC000009616130 562974284 /nfs/dbraw/zinc/97/42/84/562974284.db2.gz OVVOBCPUDNVSCO-UHFFFAOYSA-N 0 0 446.459 2.913 50 0 IFAARN O=C(/C=C/c1ccc(F)cc1)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009631325 562974409 /nfs/dbraw/zinc/97/44/09/562974409.db2.gz SCXUCYQEHLHTSN-DHZHZOJOSA-N 0 0 432.473 2.805 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1C ZINC000009643406 562974753 /nfs/dbraw/zinc/97/47/53/562974753.db2.gz HPIOKCSPPMJYHB-FUHWJXTLSA-N 0 0 440.496 2.624 50 0 IFAARN O=C(COC(=O)c1c(F)cccc1F)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009664490 562975005 /nfs/dbraw/zinc/97/50/05/562975005.db2.gz VQPFDLNPNDUEBE-UHFFFAOYSA-N 0 0 438.452 2.935 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cccc(O)c1 ZINC000009665817 562975062 /nfs/dbraw/zinc/97/50/62/562975062.db2.gz ZXSRTBWMMJICMH-UHFFFAOYSA-N 0 0 432.498 2.671 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1 ZINC000009714612 562975808 /nfs/dbraw/zinc/97/58/08/562975808.db2.gz OJXKEKHXHDRFMC-UHFFFAOYSA-N 0 0 438.509 2.984 50 0 IFAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009723936 562976085 /nfs/dbraw/zinc/97/60/85/562976085.db2.gz LIXVPSVNHYWIQO-UHFFFAOYSA-N 0 0 436.537 2.896 50 0 IFAARN CCn1cc(C(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21 ZINC000009730965 562976276 /nfs/dbraw/zinc/97/62/76/562976276.db2.gz BBKNDMUJDUEQPX-IAGOWNOFSA-N 0 0 445.585 2.924 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2F)cc1 ZINC000009744992 562976434 /nfs/dbraw/zinc/97/64/34/562976434.db2.gz NCANMSNYXKDTRV-KRWDZBQOSA-N 0 0 447.532 2.822 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1cccc(OC)c1 ZINC000009761797 562976602 /nfs/dbraw/zinc/97/66/02/562976602.db2.gz VIXLRNBOOVGGSQ-UHFFFAOYSA-N 0 0 437.452 2.744 50 0 IFAARN Nc1c(N(Cc2ccco2)C(=O)c2cccc(F)c2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000009797245 562976990 /nfs/dbraw/zinc/97/69/90/562976990.db2.gz LDHBYOLXMGAXJQ-UHFFFAOYSA-N 0 0 434.427 2.746 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc3c(c2)OCO3)c(C)c1 ZINC000009806439 562977037 /nfs/dbraw/zinc/97/70/37/562977037.db2.gz DZDBJHSXIZPJFY-GOSISDBHSA-N 0 0 430.526 2.924 50 0 IFAARN Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(C)cc1 ZINC000009837941 562977419 /nfs/dbraw/zinc/97/74/19/562977419.db2.gz ZUXITSULWUULGM-UHFFFAOYSA-N 0 0 430.505 2.986 50 0 IFAARN COc1ccc(C(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(OC)c1 ZINC000009985597 562978217 /nfs/dbraw/zinc/97/82/17/562978217.db2.gz MYIBYBGABOEKKY-FATZIPQQSA-N 0 0 446.500 2.567 50 0 IFAARN COc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)o2)cc1 ZINC000010187048 562978552 /nfs/dbraw/zinc/97/85/52/562978552.db2.gz YQTPEXYCICMRLU-AWEZNQCLSA-N 0 0 434.499 2.599 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCCCn1cccn1 ZINC000011814768 562979369 /nfs/dbraw/zinc/97/93/69/562979369.db2.gz AVVATOINNAYQNT-HSZRJFAPSA-N 0 0 447.539 2.572 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000012799186 562983133 /nfs/dbraw/zinc/98/31/33/562983133.db2.gz RHWHSQMKOYKYKZ-LJQANCHMSA-N 0 0 441.553 2.848 50 0 IFAARN Cc1nc(CC(C)C)cc(C(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)n1 ZINC000012761236 562983180 /nfs/dbraw/zinc/98/31/80/562983180.db2.gz NWGXCYFHMJJOJJ-MRXNPFEDSA-N 0 0 436.603 2.876 50 0 IFAARN COc1ccc(C(=O)COC(=O)[C@@H](CCSC)NC(=O)COc2ccccc2)cc1 ZINC000012872836 562983304 /nfs/dbraw/zinc/98/33/04/562983304.db2.gz DALVWSUFBWTPRE-LJQANCHMSA-N 0 0 431.510 2.738 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCc3ccccc3)c2)CC1 ZINC000012952921 562983700 /nfs/dbraw/zinc/98/37/00/562983700.db2.gz OJWWVTPHXVTLID-UHFFFAOYSA-N 0 0 435.977 2.639 50 0 IFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000013018461 562984195 /nfs/dbraw/zinc/98/41/95/562984195.db2.gz MXRPEOXKQOYRHF-QGZVFWFLSA-N 0 0 429.467 2.843 50 0 IFAARN COc1ccc(CN(C)C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F ZINC000013112917 562984496 /nfs/dbraw/zinc/98/44/96/562984496.db2.gz FVATYOQXUAQGQV-UXBLZVDNSA-N 0 0 448.516 2.527 50 0 IFAARN COc1ccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000013149526 562985372 /nfs/dbraw/zinc/98/53/72/562985372.db2.gz JSGFRUVJRRSREW-UHFFFAOYSA-N 0 0 446.525 2.974 50 0 IFAARN CCOC(=O)[C@H]1CCCN(c2c(=O)c(=O)c2NCCCN(CC)c2cccc(C)c2)C1 ZINC000013147495 562985376 /nfs/dbraw/zinc/98/53/76/562985376.db2.gz UWDJOHQVQGKPOC-SFHVURJKSA-N 0 0 427.545 2.699 50 0 IFAARN O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000015935079 563018522 /nfs/dbraw/zinc/01/85/22/563018522.db2.gz BMPHIGFKKRXELD-UHFFFAOYSA-N 0 0 432.424 2.595 50 0 IFAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC000015942850 563019766 /nfs/dbraw/zinc/01/97/66/563019766.db2.gz VPRJZSXSPJMNAC-RHSMWYFYSA-N 0 0 443.525 2.743 50 0 IFAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC000015942846 563019797 /nfs/dbraw/zinc/01/97/97/563019797.db2.gz VPRJZSXSPJMNAC-WMLDXEAASA-N 0 0 443.525 2.743 50 0 IFAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccccc3OC)c(C)o2)cc1 ZINC000015944278 563020162 /nfs/dbraw/zinc/02/01/62/563020162.db2.gz QKIAEONPMQTXPT-UHFFFAOYSA-N 0 0 444.509 2.898 50 0 IFAARN CN1CCN(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)CC1 ZINC000036378206 563093523 /nfs/dbraw/zinc/09/35/23/563093523.db2.gz SFMVIDHCSAODJJ-UHFFFAOYSA-N 0 0 443.356 2.686 50 0 IFAARN O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccc(C(F)(F)F)cc3)n(CCO)c21 ZINC000038141360 563096101 /nfs/dbraw/zinc/09/61/01/563096101.db2.gz JWBITBRJSDVLRG-UHFFFAOYSA-N 0 0 430.386 2.613 50 0 IFAARN COc1ccc(S(=O)(=O)NCCNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 ZINC000022971565 568614463 /nfs/dbraw/zinc/61/44/63/568614463.db2.gz QJZOLZLCTFLHNT-NYYWCZLTSA-N 0 0 428.432 2.822 50 0 IFAARN O=C(CCNC(=O)c1ccsc1)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000018948659 568628998 /nfs/dbraw/zinc/62/89/98/568628998.db2.gz ANCXEOXTECRNKJ-UHFFFAOYSA-N 0 0 427.482 2.725 50 0 IFAARN CCCn1nnnc1COC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC ZINC000018970277 568630049 /nfs/dbraw/zinc/63/00/49/568630049.db2.gz FQECLMZIXRHYCG-UHFFFAOYSA-N 0 0 449.467 2.635 50 0 IFAARN O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000015047916 568635352 /nfs/dbraw/zinc/63/53/52/568635352.db2.gz HFBSKZOYEYZMKF-LJQANCHMSA-N 0 0 449.429 2.770 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc3nsnc32)c1 ZINC000019077059 568637330 /nfs/dbraw/zinc/63/73/30/568637330.db2.gz BJXVLDKKGYSCJR-UHFFFAOYSA-N 0 0 448.526 2.517 50 0 IFAARN O=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc2nsnc21 ZINC000019077092 568637427 /nfs/dbraw/zinc/63/74/27/568637427.db2.gz RLNSXVHULMMMHR-UHFFFAOYSA-N 0 0 428.514 2.506 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccc(Br)cc2F)c1 ZINC000025127583 568637449 /nfs/dbraw/zinc/63/74/49/568637449.db2.gz GYQDJPFYDHPOID-UHFFFAOYSA-N 0 0 429.311 2.913 50 0 IFAARN CCOc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000000933217 568637961 /nfs/dbraw/zinc/63/79/61/568637961.db2.gz LFEPJDJJBGQIMB-UHFFFAOYSA-N 0 0 438.571 2.689 50 0 IFAARN COc1cc(C(=O)N2CCN(c3c(-c4ccccc4)cnc4ncnn43)CC2)cc(Cl)n1 ZINC000025143537 568639671 /nfs/dbraw/zinc/63/96/71/568639671.db2.gz PHYYFKMHOCJLLR-UHFFFAOYSA-N 0 0 449.902 2.811 50 0 IFAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(C(=O)c3ccccc3OC)CC2)cc1 ZINC000025143029 568640425 /nfs/dbraw/zinc/64/04/25/568640425.db2.gz WIBXSSSGHUMTHJ-UHFFFAOYSA-N 0 0 444.495 2.771 50 0 IFAARN Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1Cc1ccccc1 ZINC000025146485 568641124 /nfs/dbraw/zinc/64/11/24/568641124.db2.gz DGXQNZJZXSUSFM-UHFFFAOYSA-N 0 0 448.552 2.534 50 0 IFAARN CC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)CC1 ZINC000015091412 568644393 /nfs/dbraw/zinc/64/43/93/568644393.db2.gz GHFHEKCKNUWQDY-UHFFFAOYSA-N 0 0 429.542 2.845 50 0 IFAARN COc1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)cc1 ZINC000000950374 568645144 /nfs/dbraw/zinc/64/51/44/568645144.db2.gz KQACJAHNPSYPMJ-UHFFFAOYSA-N 0 0 433.511 2.578 50 0 IFAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2N1 ZINC000000959867 568646575 /nfs/dbraw/zinc/64/65/75/568646575.db2.gz UXIDXYARSCXJMA-LJQANCHMSA-N 0 0 435.455 2.798 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(OC)c3)C2)cc1 ZINC000000953232 568647060 /nfs/dbraw/zinc/64/70/60/568647060.db2.gz HXVUDQULBWXRKD-OAHLLOKOSA-N 0 0 447.513 2.913 50 0 IFAARN COc1cc(CC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000025212542 568647730 /nfs/dbraw/zinc/64/77/30/568647730.db2.gz WKMMNULVTPYOQW-UHFFFAOYSA-N 0 0 430.476 2.815 50 0 IFAARN Cn1c2nc(OCc3cccnc3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000001082331 568657506 /nfs/dbraw/zinc/65/75/06/568657506.db2.gz SWGFIXGNTWOGBC-UHFFFAOYSA-N 0 0 446.294 2.763 50 0 IFAARN Cn1c2nc(NC3CCCCC3)n(Cc3ccccc3Br)c2c(=O)n(C)c1=O ZINC000001095264 568658453 /nfs/dbraw/zinc/65/84/53/568658453.db2.gz XXGSCGMMQTYQKC-UHFFFAOYSA-N 0 0 446.349 2.989 50 0 IFAARN CCOC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)o1 ZINC000001097302 568658847 /nfs/dbraw/zinc/65/88/47/568658847.db2.gz PLWVBANNTCXLIG-UHFFFAOYSA-N 0 0 449.312 2.943 50 0 IFAARN NC(=O)C1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 ZINC000001105126 568660500 /nfs/dbraw/zinc/66/05/00/568660500.db2.gz IMQUEWODBSANSS-XMMPIXPASA-N 0 0 437.565 2.841 50 0 IFAARN CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C)OCCO5 ZINC000257359274 568731603 /nfs/dbraw/zinc/73/16/03/568731603.db2.gz ZIQSUIGZEYCTRR-HRHJECGOSA-N 0 0 446.540 2.735 50 0 IFAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCCc2ccccc21 ZINC000015186349 568732134 /nfs/dbraw/zinc/73/21/34/568732134.db2.gz GWSGRYQOIVFYHG-QGZVFWFLSA-N 0 0 442.537 2.996 50 0 IFAARN CCOC(=O)CS(=O)(=O)c1nc(-c2ncc(C(F)(F)F)cc2Cl)ncc1F ZINC000261494948 568735046 /nfs/dbraw/zinc/73/50/46/568735046.db2.gz WSBAORAPKRRBLC-UHFFFAOYSA-N 0 0 427.763 2.687 50 0 IFAARN NS(=O)(=O)Cc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 ZINC000025612658 568739490 /nfs/dbraw/zinc/73/94/90/568739490.db2.gz IFGAMUSZMYENCH-UHFFFAOYSA-N 0 0 425.495 2.794 50 0 IFAARN COc1ccc(CCNC(=O)C[C@H](C)CC2=NS(=O)(=O)c3ccccc3N2)cc1OC ZINC000005985896 568739869 /nfs/dbraw/zinc/73/98/69/568739869.db2.gz DCVXGNMIEYAGCQ-OAHLLOKOSA-N 0 0 445.541 2.992 50 0 IFAARN Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000006016945 568740238 /nfs/dbraw/zinc/74/02/38/568740238.db2.gz JQDDKGWPOFPIPW-UHFFFAOYSA-N 0 0 446.554 2.623 50 0 IFAARN Cc1cc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2c2ccccc12 ZINC000003214706 568743144 /nfs/dbraw/zinc/74/31/44/568743144.db2.gz CLGWQRAUCWDBSG-UHFFFAOYSA-N 0 0 427.511 2.569 50 0 IFAARN CSc1ncccc1C(=O)N1CCC(CNC(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000044001481 568745540 /nfs/dbraw/zinc/74/55/40/568745540.db2.gz GCTRJVXIVCEYFV-LJQANCHMSA-N 0 0 427.526 2.612 50 0 IFAARN Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000003321929 568745992 /nfs/dbraw/zinc/74/59/92/568745992.db2.gz SCSUQXQGPOQSHN-KRWDZBQOSA-N 0 0 434.489 2.778 50 0 IFAARN COc1ccccc1NC(=O)COC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000003393557 568748572 /nfs/dbraw/zinc/74/85/72/568748572.db2.gz DPZBLFMFIVIRJQ-JTSKRJEESA-N 0 0 444.484 2.907 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccccc1F ZINC000003430682 568749369 /nfs/dbraw/zinc/74/93/69/568749369.db2.gz OYPOLQFLFOGBAS-UHFFFAOYSA-N 0 0 432.429 2.693 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2Br)cc1 ZINC000003510454 568750360 /nfs/dbraw/zinc/75/03/60/568750360.db2.gz LCQNCTFIRGGXEQ-UHFFFAOYSA-N 0 0 431.283 2.856 50 0 IFAARN COc1ccc(C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000334158043 568750852 /nfs/dbraw/zinc/75/08/52/568750852.db2.gz KENKRGZIOIPFCE-INIZCTEOSA-N 0 0 441.509 2.601 50 0 IFAARN COc1ccc(-c2cc(=NC(=O)c3cc(C)oc3C)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158295 568750929 /nfs/dbraw/zinc/75/09/29/568750929.db2.gz DYRDREQEDUHWGH-MRXNPFEDSA-N 0 0 429.498 2.802 50 0 IFAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O ZINC000003593392 568751333 /nfs/dbraw/zinc/75/13/33/568751333.db2.gz KAIAWCPIQLQXPY-OAQYLSRUSA-N 0 0 444.329 2.965 50 0 IFAARN COc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)cc(OC)c1OCC(N)=O ZINC000025628495 568754252 /nfs/dbraw/zinc/75/42/52/568754252.db2.gz YJYLDQMFVXPPCS-UHFFFAOYSA-N 0 0 435.383 2.670 50 0 IFAARN COc1cccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)N4CCCN4[C@@H]3C2=O)c1 ZINC000019166975 568755018 /nfs/dbraw/zinc/75/50/18/568755018.db2.gz NEQYFFVJHRIPRS-FHWLQOOXSA-N 0 0 442.313 2.993 50 0 IFAARN Cc1c(CN2C(=O)c3cccc(N4CCC[C@@H](C(=O)NCC(C)C)C4)c3C2=O)cnn1C ZINC000299762139 568756023 /nfs/dbraw/zinc/75/60/23/568756023.db2.gz LBMRTWSPISAKRM-QGZVFWFLSA-N 0 0 437.544 2.513 50 0 IFAARN CN(C[C@@H]1CCCCO1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299766774 568756407 /nfs/dbraw/zinc/75/64/07/568756407.db2.gz HEYBRJJMVCSUPM-OFVILXPXSA-N 0 0 435.524 2.696 50 0 IFAARN COc1ccc(CN2CCc3c(C(=O)NCCC(C)C)c(OC)cc(=O)n3CC2)cc1 ZINC000299769145 568756551 /nfs/dbraw/zinc/75/65/51/568756551.db2.gz JXOUWYVLVZKYMM-UHFFFAOYSA-N 0 0 427.545 2.700 50 0 IFAARN O=C(Cn1cc(NC(=O)CSc2ccccc2)cn1)NCCc1cn2ccsc2n1 ZINC000299769200 568756574 /nfs/dbraw/zinc/75/65/74/568756574.db2.gz LQRMVTWGQLDZFI-UHFFFAOYSA-N 0 0 440.554 2.682 50 0 IFAARN Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1cccc(F)c1F)CC2 ZINC000299775719 568756851 /nfs/dbraw/zinc/75/68/51/568756851.db2.gz HUSQDSRUVYMBDY-FYCOFBDGSA-N 0 0 430.455 2.957 50 0 IFAARN O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)C1)N1CCCCC1 ZINC000299801613 568757852 /nfs/dbraw/zinc/75/78/52/568757852.db2.gz ZRKRQHOCURHKHL-QZTJIDSGSA-N 0 0 425.529 2.691 50 0 IFAARN Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000015386382 568761402 /nfs/dbraw/zinc/76/14/02/568761402.db2.gz JMGIYJZZMQFHAT-UHFFFAOYSA-N 0 0 429.361 2.966 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccccc2OC)cc1 ZINC000015391195 568761511 /nfs/dbraw/zinc/76/15/11/568761511.db2.gz ZRCHMODISVVLRF-GOSISDBHSA-N 0 0 432.542 2.954 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2cccc(OC)c2)cc1 ZINC000015391162 568761607 /nfs/dbraw/zinc/76/16/07/568761607.db2.gz HLHIIXVJXRXVSW-SFHVURJKSA-N 0 0 432.542 2.954 50 0 IFAARN CCOC(=O)C1=C(CSc2nnnn2-c2ccccc2C)NC(=O)N[C@H]1c1ccco1 ZINC000015405778 568761963 /nfs/dbraw/zinc/76/19/63/568761963.db2.gz AOBAOZFGJNJWEC-KRWDZBQOSA-N 0 0 440.485 2.527 50 0 IFAARN O=C(NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2F)C3)CC1)C1CCCC1 ZINC000263615064 568775793 /nfs/dbraw/zinc/77/57/93/568775793.db2.gz AJURZMVWIIELRU-JOCHJYFZSA-N 0 0 427.524 2.960 50 0 IFAARN O=C(c1nnn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCN(c2ccccc2F)CC1 ZINC000263615050 568775814 /nfs/dbraw/zinc/77/58/14/568775814.db2.gz AHOQBXFUGNXTDK-FQEVSTJZSA-N 0 0 425.439 2.790 50 0 IFAARN COc1ccc([C@@H]2Cn3nnc(CN4CCN(C(=O)c5ccccc5)CC4)c3CO2)cc1 ZINC000263616303 568776556 /nfs/dbraw/zinc/77/65/56/568776556.db2.gz HZMSCDSKFDPSDU-QHCPKHFHSA-N 0 0 433.512 2.516 50 0 IFAARN CCOCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000263617184 568777103 /nfs/dbraw/zinc/77/71/03/568777103.db2.gz MNWFGTSVBIMOQL-NRFANRHFSA-N 0 0 440.544 2.550 50 0 IFAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccc(C)cc5)CC4)c3CO2)cc1 ZINC000263617437 568777298 /nfs/dbraw/zinc/77/72/98/568777298.db2.gz NUMZDYDQVQNGQD-QFIPXVFZSA-N 0 0 433.512 2.829 50 0 IFAARN COc1cc(NC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)cc(OC)c1OC ZINC000263617589 568777312 /nfs/dbraw/zinc/77/73/12/568777312.db2.gz OPSOKHSJNNOHRV-SFHVURJKSA-N 0 0 428.420 2.967 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1ccn2nc(-c3cccc(F)c3)c(CO)c2c1=O ZINC000263619395 568777609 /nfs/dbraw/zinc/77/76/09/568777609.db2.gz YNPSNKDCOKDQBT-KRWDZBQOSA-N 0 0 448.498 2.932 50 0 IFAARN Cn1c2ccc(S(=O)(=O)Nc3cc4sc(=O)oc4c4ccccc34)cc2n(C)c1=O ZINC000001320765 568779889 /nfs/dbraw/zinc/77/98/89/568779889.db2.gz CUXSMMLJNXNILV-UHFFFAOYSA-N 0 0 441.490 2.999 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1 ZINC000032123922 568781701 /nfs/dbraw/zinc/78/17/01/568781701.db2.gz VADTYELJKXAGLQ-UNMCSNQZSA-N 0 0 434.496 2.860 50 0 IFAARN CCn1nnnc1-c1cccc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000083836983 568782787 /nfs/dbraw/zinc/78/27/87/568782787.db2.gz LDXMDOFIFRAAIV-UHFFFAOYSA-N 0 0 445.266 2.902 50 0 IFAARN CCOc1ccc(OCCNC(=O)COC(=O)c2ccccc2N2CCCC2=O)cc1 ZINC000019175230 568782969 /nfs/dbraw/zinc/78/29/69/568782969.db2.gz AOFLNYCZYZPKNW-UHFFFAOYSA-N 0 0 426.469 2.564 50 0 IFAARN Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@H](C(N)=O)c3cccc(Br)c3)C2=O)c1 ZINC000084083709 568791887 /nfs/dbraw/zinc/79/18/87/568791887.db2.gz GNTGEOFEWKOEMP-ROUUACIJSA-N 0 0 444.329 2.762 50 0 IFAARN Cc1ccc(SCC(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000084160483 568795430 /nfs/dbraw/zinc/79/54/30/568795430.db2.gz UNZOKZDAKUNCHX-UHFFFAOYSA-N 0 0 447.626 2.518 50 0 IFAARN O=C(NCc1cc2c(c(Br)c1)OCO2)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000084497958 568798114 /nfs/dbraw/zinc/79/81/14/568798114.db2.gz PDGAOZAEBFGHQP-HNNXBMFYSA-N 0 0 447.285 2.804 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccc(Cn2ccccc2=O)cc1 ZINC000084606405 568799160 /nfs/dbraw/zinc/79/91/60/568799160.db2.gz ANRGFXANZGLLIE-WFXMLNOXSA-N 0 0 426.542 2.561 50 0 IFAARN O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCC(c2nnc(C3CC3)[nH]2)CC1 ZINC000084618182 568799184 /nfs/dbraw/zinc/79/91/84/568799184.db2.gz BGVWYBFLUWPJNJ-UHFFFAOYSA-N 0 0 435.575 2.548 50 0 IFAARN C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(C[C@@H](O)c2cccc(Br)c2)C1=O ZINC000084668127 568799865 /nfs/dbraw/zinc/79/98/65/568799865.db2.gz SVCFVQZJIOWQJF-FOIQADDNSA-N 0 0 447.285 2.764 50 0 IFAARN CC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1noc(-c2cccc(Br)c2)n1 ZINC000084734882 568800374 /nfs/dbraw/zinc/80/03/74/568800374.db2.gz NSNPMGRPIOILCV-SMDDNHRTSA-N 0 0 442.335 2.891 50 0 IFAARN CCCCc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCOC)c4=O)cc1 ZINC000004303842 568812090 /nfs/dbraw/zinc/81/20/90/568812090.db2.gz PUTMYEPALLNVAP-MRXNPFEDSA-N 0 0 425.533 2.674 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c1 ZINC000015728156 568812904 /nfs/dbraw/zinc/81/29/04/568812904.db2.gz KUDOYRPFVYXJJE-HNNXBMFYSA-N 0 0 427.530 2.879 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c(OC)c1 ZINC000015728165 568813084 /nfs/dbraw/zinc/81/30/84/568813084.db2.gz LFFHFLKKOVJXNI-QGZVFWFLSA-N 0 0 441.557 2.921 50 0 IFAARN C[C@@H]1CSc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2NC1=O ZINC000015730741 568814061 /nfs/dbraw/zinc/81/40/61/568814061.db2.gz GCIJMMYLPLCTAA-MRXNPFEDSA-N 0 0 431.583 2.873 50 0 IFAARN C[C@@H]1CSc2ccc(S(=O)(=O)NCCN3CCc4ccccc4C3)cc2NC1=O ZINC000015731172 568814533 /nfs/dbraw/zinc/81/45/33/568814533.db2.gz AWOHJJYQBCYXBP-OAHLLOKOSA-N 0 0 431.583 2.704 50 0 IFAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000015731410 568814740 /nfs/dbraw/zinc/81/47/40/568814740.db2.gz KXMITMORDFDOSK-UHFFFAOYSA-N 0 0 447.340 2.990 50 0 IFAARN O=C(NCc1ccccc1Br)c1cnc2sc(N3CCCCC3)nn2c1=O ZINC000015732671 568815204 /nfs/dbraw/zinc/81/52/04/568815204.db2.gz TWJHEJUZUHBLHR-UHFFFAOYSA-N 0 0 448.346 2.834 50 0 IFAARN C=C1C(N2CCC(C(=O)NCCCOC)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000015732997 568815428 /nfs/dbraw/zinc/81/54/28/568815428.db2.gz PFDMRQXVPYALQU-UHFFFAOYSA-N 0 0 439.965 2.678 50 0 IFAARN CCOc1ccc(CNC(=O)c2cnc3sc(N4CCCCCC4)nn3c2=O)cc1 ZINC000015732810 568815529 /nfs/dbraw/zinc/81/55/29/568815529.db2.gz ILGVNDWNNNODES-UHFFFAOYSA-N 0 0 427.530 2.860 50 0 IFAARN COc1cc(C(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc(OC)c1OC ZINC000015734055 568815724 /nfs/dbraw/zinc/81/57/24/568815724.db2.gz LCNZQKACLWBNOI-UHFFFAOYSA-N 0 0 433.486 2.732 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)NCCCN1CCOCC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733752 568816053 /nfs/dbraw/zinc/81/60/53/568816053.db2.gz LTVIKRIDEAJJMT-UHFFFAOYSA-N 0 0 433.574 2.632 50 0 IFAARN CCOCCc1nn2c(nc(COC(=O)c3ccc(Br)cc3)cc2=O)s1 ZINC000015734334 568816343 /nfs/dbraw/zinc/81/63/43/568816343.db2.gz CMPVYYMIKCKMAD-UHFFFAOYSA-N 0 0 438.303 2.850 50 0 IFAARN COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(OC)c2c(c1OC)OCO2 ZINC000085413080 568817837 /nfs/dbraw/zinc/81/78/37/568817837.db2.gz KOGGJXCOXPDSQM-AUUYWEPGSA-N 0 0 426.377 2.605 50 0 IFAARN COc1c2c(cc(-c3c4sc(=O)nc-4[nH]c4c3c(=O)[nH]n4C(C)C)c1OC)OCO2 ZINC000085412506 568818437 /nfs/dbraw/zinc/81/84/37/568818437.db2.gz VYRWZIHVJMRFDC-UHFFFAOYSA-N 0 0 430.442 2.621 50 0 IFAARN O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000015766496 568821423 /nfs/dbraw/zinc/82/14/23/568821423.db2.gz ADMYETKOSTXNCD-INIZCTEOSA-N 0 0 433.530 2.529 50 0 IFAARN O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)NCc1ccccc1Cl ZINC000015767756 568821967 /nfs/dbraw/zinc/82/19/67/568821967.db2.gz IMSSHFSBYBWDCZ-UHFFFAOYSA-N 0 0 430.917 2.604 50 0 IFAARN COc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000015768756 568822077 /nfs/dbraw/zinc/82/20/77/568822077.db2.gz JVAJOVKNQIFPDH-UHFFFAOYSA-N 0 0 428.510 2.797 50 0 IFAARN CCOCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)C(C)C)cc3)cc2=O)s1 ZINC000015772503 568822893 /nfs/dbraw/zinc/82/28/93/568822893.db2.gz SPQLWEWZPDXBQC-UHFFFAOYSA-N 0 0 444.513 2.682 50 0 IFAARN CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000015773371 568823151 /nfs/dbraw/zinc/82/31/51/568823151.db2.gz JIANQBSKSFOZRP-HSZRJFAPSA-N 0 0 440.975 2.864 50 0 IFAARN Cc1ccc(NC(=O)C[C@@H]2Sc3ccc(S(=O)(=O)N(C)C)cc3N(C)C2=O)cc1 ZINC000015775042 568823242 /nfs/dbraw/zinc/82/32/42/568823242.db2.gz RBKLNTZBPSLKJW-SFHVURJKSA-N 0 0 433.555 2.711 50 0 IFAARN Cc1ccc(NC(=O)C[C@H]2Sc3ccc(S(=O)(=O)N(C)C)cc3N(C)C2=O)cc1 ZINC000015775044 568823290 /nfs/dbraw/zinc/82/32/90/568823290.db2.gz RBKLNTZBPSLKJW-GOSISDBHSA-N 0 0 433.555 2.711 50 0 IFAARN CCc1ccc(NC(=O)[C@@H]2Cc3cc(S(=O)(=O)N4CCCC4)ccc3N2C(C)=O)cc1 ZINC000015775512 568823467 /nfs/dbraw/zinc/82/34/67/568823467.db2.gz VWNHULBCFVUBES-QFIPXVFZSA-N 0 0 441.553 2.950 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000015775564 568823473 /nfs/dbraw/zinc/82/34/73/568823473.db2.gz VJULFJSSVGZPCD-OAQYLSRUSA-N 0 0 427.526 2.696 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)c1C ZINC000085597920 568825955 /nfs/dbraw/zinc/82/59/55/568825955.db2.gz DAJCJDJCSSKDOJ-UHFFFAOYSA-N 0 0 433.530 2.522 50 0 IFAARN Cc1ccccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014154276 568828751 /nfs/dbraw/zinc/82/87/51/568828751.db2.gz CAQTWFPEFCWELD-UHFFFAOYSA-N 0 0 449.960 2.568 50 0 IFAARN O=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCCC1 ZINC000085651892 568831621 /nfs/dbraw/zinc/83/16/21/568831621.db2.gz QDPKMMQIUZZIHN-UHFFFAOYSA-N 0 0 437.587 2.687 50 0 IFAARN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)c1 ZINC000085651012 568831655 /nfs/dbraw/zinc/83/16/55/568831655.db2.gz WPKXEHKAYKYEPZ-KRWDZBQOSA-N 0 0 444.557 2.599 50 0 IFAARN CC(=O)Oc1ccc(Br)cc1C1=NN(C(C)=O)[C@@H](Cn2nc(C)cc2C)O1 ZINC000015785751 568832346 /nfs/dbraw/zinc/83/23/46/568832346.db2.gz RKNSQXHVLVKJIP-QGZVFWFLSA-N 0 0 435.278 2.754 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)c(C)c1 ZINC000085654286 568833479 /nfs/dbraw/zinc/83/34/79/568833479.db2.gz GGHFCCFOQMQKAO-UHFFFAOYSA-N 0 0 438.553 2.669 50 0 IFAARN COc1ccc(C(=O)CNC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)cc1 ZINC000085878523 568838489 /nfs/dbraw/zinc/83/84/89/568838489.db2.gz RTBCOUGUSUCLAZ-UHFFFAOYSA-N 0 0 425.437 2.669 50 0 IFAARN COc1ccc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc1OC(C)=O ZINC000001515865 568839562 /nfs/dbraw/zinc/83/95/62/568839562.db2.gz YWPNQUGCMMWLPP-NVNXTCNLSA-N 0 0 427.409 2.991 50 0 IFAARN COc1cc(OC)c([C@H]2Nc3ccccc3-n3cc4c(c32)n(C)c(=O)n(C)c4=O)cc1OC ZINC000015834439 568842748 /nfs/dbraw/zinc/84/27/48/568842748.db2.gz NRHDLNZJSUMJNH-HXUWFJFHSA-N 0 0 448.479 2.569 50 0 IFAARN COc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000006134746 568845015 /nfs/dbraw/zinc/84/50/15/568845015.db2.gz KAFRGVOKEUFGNS-UHFFFAOYSA-N 0 0 433.530 2.621 50 0 IFAARN COc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 ZINC000015858341 568846452 /nfs/dbraw/zinc/84/64/52/568846452.db2.gz FMQQYEYEQUBFKS-ZDUSSCGKSA-N 0 0 436.917 2.634 50 0 IFAARN COC(=O)c1ccccc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl ZINC000015858458 568846582 /nfs/dbraw/zinc/84/65/82/568846582.db2.gz CBMWWJOSXJBYMD-LLVKDONJSA-N 0 0 436.873 2.691 50 0 IFAARN COc1cc(-c2nc3c([nH]c(=O)n3-c3ccc(F)cc3)c(C(N)=O)n2)ccc1OC(C)C ZINC000015865181 568849944 /nfs/dbraw/zinc/84/99/44/568849944.db2.gz JCYFETKDNIFAFD-UHFFFAOYSA-N 0 0 437.431 2.810 50 0 IFAARN COc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCc4ccccc4C3)c2C)cc1 ZINC000015865217 568849948 /nfs/dbraw/zinc/84/99/48/568849948.db2.gz GJNOWRMOFQRDLZ-UHFFFAOYSA-N 0 0 425.510 2.944 50 0 IFAARN COCCNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2 ZINC000101683130 568850104 /nfs/dbraw/zinc/85/01/04/568850104.db2.gz IHSODNXNGDQQKF-SQFISAMPSA-N 0 0 449.463 2.944 50 0 IFAARN CC(C)N1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2C1 ZINC000015880197 568853940 /nfs/dbraw/zinc/85/39/40/568853940.db2.gz HOUNZTPNXGAFIO-UHFFFAOYSA-N 0 0 434.587 2.946 50 0 IFAARN CCSc1ccccc1C(=O)NCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000015881672 568855842 /nfs/dbraw/zinc/85/58/42/568855842.db2.gz PHXMFOXAZMQLCQ-UHFFFAOYSA-N 0 0 447.626 2.843 50 0 IFAARN O=C(CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n21)NCc1ccc2c(c1)OCO2 ZINC000015881780 568856093 /nfs/dbraw/zinc/85/60/93/568856093.db2.gz LDHUABXEEZPITN-UHFFFAOYSA-N 0 0 435.465 2.634 50 0 IFAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000015883391 568857642 /nfs/dbraw/zinc/85/76/42/568857642.db2.gz LYGMJKCAKQWHNF-UHFFFAOYSA-N 0 0 438.431 2.690 50 0 IFAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)N1CCc2ccccc21 ZINC000015883550 568857720 /nfs/dbraw/zinc/85/77/20/568857720.db2.gz WCQGIHIPXLJDCW-UHFFFAOYSA-N 0 0 438.553 2.656 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncnc(CC)c3F)C2)c(C)c1 ZINC000575413898 568860848 /nfs/dbraw/zinc/86/08/48/568860848.db2.gz NVPVFBMVQBVQRN-OAHLLOKOSA-N 0 0 436.509 2.677 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3ncnc(CC)c3F)C2)c(C)c1 ZINC000575413897 568860853 /nfs/dbraw/zinc/86/08/53/568860853.db2.gz NVPVFBMVQBVQRN-HNNXBMFYSA-N 0 0 436.509 2.677 50 0 IFAARN COc1ccc(OC)c([C@@H](C)NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000025055099 568861219 /nfs/dbraw/zinc/86/12/19/568861219.db2.gz ZQYFONXLCYTYTM-MRXNPFEDSA-N 0 0 444.507 2.870 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN23)cc1OC ZINC000016039302 568868406 /nfs/dbraw/zinc/86/84/06/568868406.db2.gz BNNMIWVCBDLINX-MVWVFHAYSA-N 0 0 445.475 2.609 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CN(C)Cc1nc3ccccc3c(=O)[nH]1)CCCC2 ZINC000012946390 568871314 /nfs/dbraw/zinc/87/13/14/568871314.db2.gz PHZGUOOLUPPIQC-UHFFFAOYSA-N 0 0 440.525 2.721 50 0 IFAARN CCOC(=O)c1ccc(OC[C@@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 ZINC000012947960 568871455 /nfs/dbraw/zinc/87/14/55/568871455.db2.gz BAHBNACGNJLQMB-INIZCTEOSA-N 0 0 447.289 2.719 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1OC ZINC000012948160 568871501 /nfs/dbraw/zinc/87/15/01/568871501.db2.gz LYJOMASJZHVERQ-MLGOLLRUSA-N 0 0 430.432 2.517 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1ccncc1 ZINC000006194481 568876651 /nfs/dbraw/zinc/87/66/51/568876651.db2.gz QFUIQJRKMAWMNB-UHFFFAOYSA-N 0 0 437.521 2.837 50 0 IFAARN C[C@@H]1Cc2cc(C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)ccc2N1S(C)(=O)=O ZINC000023151358 568877510 /nfs/dbraw/zinc/87/75/10/568877510.db2.gz NTFHNBOUTLDQLW-JLTOFOAXSA-N 0 0 443.525 2.767 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@]2(c2ccc(C)cc2)NN1 ZINC000008451769 568877670 /nfs/dbraw/zinc/87/76/70/568877670.db2.gz XAZAPOIETXHKIA-VGOFRKELSA-N 0 0 425.872 2.864 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCc5ccccc5C4)ccc3c2=O)cc1 ZINC000004791501 568878811 /nfs/dbraw/zinc/87/88/11/568878811.db2.gz QBZWQYNNDNYVIY-UHFFFAOYSA-N 0 0 441.487 2.945 50 0 IFAARN O=C(NCCc1csc(-c2ccc(F)cc2)n1)C1CN(c2cc(-n3ccnc3)ncn2)C1 ZINC000575609526 568878816 /nfs/dbraw/zinc/87/88/16/568878816.db2.gz MSMXNGXZJXGFOU-UHFFFAOYSA-N 0 0 449.515 2.720 50 0 IFAARN Cc1c(C(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)nnn1-c1ccc(F)cc1 ZINC000575614556 568879943 /nfs/dbraw/zinc/87/99/43/568879943.db2.gz WMPJTCHENZZTQU-UHFFFAOYSA-N 0 0 449.412 2.794 50 0 IFAARN O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575618270 568882060 /nfs/dbraw/zinc/88/20/60/568882060.db2.gz UOZJABIWCLAYEC-LPHOPBHVSA-N 0 0 434.471 2.752 50 0 IFAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2Cl)c(=O)n3C)n1C[C@H]1CCCO1 ZINC000006300145 568882521 /nfs/dbraw/zinc/88/25/21/568882521.db2.gz DZDQWIWRBVYJOR-MRXNPFEDSA-N 0 0 441.919 2.647 50 0 IFAARN Cc1c(C)n2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)n1C[C@@H]1CCCO1 ZINC000006300125 568882593 /nfs/dbraw/zinc/88/25/93/568882593.db2.gz GRKXAVDYTGBOHA-SSVWKNEZSA-N 0 0 433.512 2.659 50 0 IFAARN CCN(CC)C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 ZINC000009519835 568883764 /nfs/dbraw/zinc/88/37/64/568883764.db2.gz LAPOFJKLVIJGGF-UHFFFAOYSA-N 0 0 433.574 2.686 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000229384507 568886597 /nfs/dbraw/zinc/88/65/97/568886597.db2.gz SEMNONKIKNRDCV-QWFCFKBJSA-N 0 0 433.464 2.917 50 0 IFAARN CC(C)CN(C(=O)CN(C)Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000016388244 568887292 /nfs/dbraw/zinc/88/72/92/568887292.db2.gz UMVYXJMFHLWQFD-MRXNPFEDSA-N 0 0 431.396 2.553 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)NCc4sc(C)nc4C)C3)ncn2)n1 ZINC000090593048 568888996 /nfs/dbraw/zinc/88/89/96/568888996.db2.gz BSJYAPBKEFGBBK-QGZVFWFLSA-N 0 0 425.562 2.885 50 0 IFAARN CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)NCc1nc(-c3ccccc3)no1)C2 ZINC000090609644 568891587 /nfs/dbraw/zinc/89/15/87/568891587.db2.gz WSSZZEKIMJPPFO-CQSZACIVSA-N 0 0 425.514 2.629 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)cc1 ZINC000090610121 568891783 /nfs/dbraw/zinc/89/17/83/568891783.db2.gz QSJMUOKAVSWYIL-UHFFFAOYSA-N 0 0 441.871 2.527 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000006353954 568893499 /nfs/dbraw/zinc/89/34/99/568893499.db2.gz QBTITTZUJCLZRL-GTVARFKMSA-N 0 0 439.924 2.847 50 0 IFAARN CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(Br)ccc1OCC ZINC000012997263 568896773 /nfs/dbraw/zinc/89/67/73/568896773.db2.gz WGGPQHOCBDOYKO-LBPRGKRZSA-N 0 0 438.365 2.517 50 0 IFAARN CN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012998784 568897852 /nfs/dbraw/zinc/89/78/52/568897852.db2.gz GCYWUURXWVPONC-UHFFFAOYSA-N 0 0 430.404 2.736 50 0 IFAARN CC(C)(C)c1noc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 ZINC000013002376 568898310 /nfs/dbraw/zinc/89/83/10/568898310.db2.gz HESCASPAYVVAKB-UHFFFAOYSA-N 0 0 449.396 2.698 50 0 IFAARN O=C(CCCOc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000013002827 568898480 /nfs/dbraw/zinc/89/84/80/568898480.db2.gz TVGNITFUZAMAKI-UHFFFAOYSA-N 0 0 442.459 2.796 50 0 IFAARN CCOC(=O)c1sc2nc(C)n(C[C@H](O)COCc3ccccc3F)c(=O)c2c1C ZINC000013006016 568899314 /nfs/dbraw/zinc/89/93/14/568899314.db2.gz VDNQBOTZMZZKDR-HNNXBMFYSA-N 0 0 434.489 2.968 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)N(CCC(N)=O)c3ccccc3)cc2)CC1 ZINC000013008682 568899741 /nfs/dbraw/zinc/89/97/41/568899741.db2.gz SCDIXFWTZQOQPM-UHFFFAOYSA-N 0 0 429.542 2.629 50 0 IFAARN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000013014810 568901367 /nfs/dbraw/zinc/90/13/67/568901367.db2.gz ZTJASOWGHLMSHN-UHFFFAOYSA-N 0 0 428.432 2.998 50 0 IFAARN COc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000013022382 568902216 /nfs/dbraw/zinc/90/22/16/568902216.db2.gz QPWKGTLZRVGIKG-UHFFFAOYSA-N 0 0 448.541 2.824 50 0 IFAARN CCc1ncnc(O[C@@H]2CCN(C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)c1F ZINC000253473286 568903651 /nfs/dbraw/zinc/90/36/51/568903651.db2.gz TZUAUDRVYIXJLL-MRXNPFEDSA-N 0 0 435.521 2.583 50 0 IFAARN COc1ccc(OC)c(-n2c(C)cn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1 ZINC000006444282 568907079 /nfs/dbraw/zinc/90/70/79/568907079.db2.gz RUSCSCZXTAKRTL-UHFFFAOYSA-N 0 0 445.479 2.513 50 0 IFAARN CCOc1ccccc1NC(=O)CS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000001792391 568907969 /nfs/dbraw/zinc/90/79/69/568907969.db2.gz UKIRBLLPDUPIGP-UHFFFAOYSA-N 0 0 444.509 2.515 50 0 IFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(OC)c3)C2)c1 ZINC000089274563 568909835 /nfs/dbraw/zinc/90/98/35/568909835.db2.gz BDXYIVLMINMRBP-IBGZPJMESA-N 0 0 437.543 2.568 50 0 IFAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN(C)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000241439851 568912221 /nfs/dbraw/zinc/91/22/21/568912221.db2.gz NMTXQZCODOMEJM-JKSUJKDBSA-N 0 0 444.619 2.959 50 0 IFAARN CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000242287982 568912530 /nfs/dbraw/zinc/91/25/30/568912530.db2.gz YKAHGHBLXKJBIU-WMZOPIPTSA-N 0 0 435.933 2.730 50 0 IFAARN CC1(C)O[C@H]2[C@H](O1)O[C@H](C(=O)Oc1ccc(Br)cc1)[C@@H]1OC(C)(C)O[C@H]21 ZINC000245225874 568912924 /nfs/dbraw/zinc/91/29/24/568912924.db2.gz WLZITUKKHHQEKY-SRTKAIALSA-N 0 0 429.263 2.751 50 0 IFAARN COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000245242141 568913216 /nfs/dbraw/zinc/91/32/16/568913216.db2.gz CKQHOCFSFLTMIJ-LVBDUCALSA-N 0 0 437.883 2.780 50 0 IFAARN COc1ccc2nc(NC(=O)COc3ccc(C(=O)N4CCOCC4)cc3)sc2c1 ZINC000001893315 568917835 /nfs/dbraw/zinc/91/78/35/568917835.db2.gz RRFOPOMFUOOWJG-UHFFFAOYSA-N 0 0 427.482 2.795 50 0 IFAARN CN(C(=O)CCNC(=O)c1ccc(F)cc1F)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000089335241 568920587 /nfs/dbraw/zinc/92/05/87/568920587.db2.gz JMGGKBJHCWTGKE-MRXNPFEDSA-N 0 0 442.871 2.725 50 0 IFAARN COCCOC(=O)c1sc2ncn([C@@H](C)C(=O)Nc3ccc(F)cc3)c(=O)c2c1C ZINC000001980641 568924121 /nfs/dbraw/zinc/92/41/21/568924121.db2.gz XQPBGJVQBRMTND-LBPRGKRZSA-N 0 0 433.461 2.908 50 0 IFAARN O=S(=O)(c1ccc(Br)s1)N1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000026923096 568926323 /nfs/dbraw/zinc/92/63/23/568926323.db2.gz PBVLXPZNLTYDAR-CQSZACIVSA-N 0 0 449.367 2.690 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)N(C)c4ccc(C)cc4)cc32)no1 ZINC000064450702 568928824 /nfs/dbraw/zinc/92/88/24/568928824.db2.gz VUEQNWQNPGOFIH-UHFFFAOYSA-N 0 0 442.497 2.691 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)cc1S(N)(=O)=O ZINC000064485371 568930775 /nfs/dbraw/zinc/93/07/75/568930775.db2.gz BYZYKTZTHRQBNR-UONOGXRCSA-N 0 0 425.304 2.847 50 0 IFAARN Cc1noc(-c2nn(C)c3c2CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC3)n1 ZINC000064566478 568933192 /nfs/dbraw/zinc/93/31/92/568933192.db2.gz VXSJRQNPCQFICN-UHFFFAOYSA-N 0 0 427.408 2.544 50 0 IFAARN CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)c1cccc(OC)c1OC)CC2 ZINC000064567158 568933346 /nfs/dbraw/zinc/93/33/46/568933346.db2.gz JMIJSJIVGIDMFO-UHFFFAOYSA-N 0 0 442.545 2.636 50 0 IFAARN O=C(c1ccccc1)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064579056 568934087 /nfs/dbraw/zinc/93/40/87/568934087.db2.gz JZFYTPZZWSREJV-UHFFFAOYSA-N 0 0 425.492 2.802 50 0 IFAARN CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)NCCC(C)C)n(C)c(=O)n3C)CC1 ZINC000064591051 568935429 /nfs/dbraw/zinc/93/54/29/568935429.db2.gz OXWZDQVXSAIXMB-UHFFFAOYSA-N 0 0 445.564 2.824 50 0 IFAARN O=C(CSc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)NCc1ccc(F)cc1 ZINC000064593001 568935610 /nfs/dbraw/zinc/93/56/10/568935610.db2.gz DLYHCCKULRNPCM-UHFFFAOYSA-N 0 0 427.436 2.567 50 0 IFAARN COc1ccc(-n2ccn3c(SCC(=O)NCc4ccc(C)cc4)nnc3c2=O)cc1 ZINC000064593136 568935800 /nfs/dbraw/zinc/93/58/00/568935800.db2.gz GKLWEXCRKOPKRT-UHFFFAOYSA-N 0 0 435.509 2.606 50 0 IFAARN COc1cccc(CNC(=O)CSc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)c1 ZINC000064593603 568936122 /nfs/dbraw/zinc/93/61/22/568936122.db2.gz FTUGWEUSHQXIBI-UHFFFAOYSA-N 0 0 449.536 2.914 50 0 IFAARN COc1ccccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O ZINC000089552943 568937281 /nfs/dbraw/zinc/93/72/81/568937281.db2.gz MPNDMXZRNOTEOE-HOCLYGCPSA-N 0 0 439.468 2.577 50 0 IFAARN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)NCc1nnc2ccccn21 ZINC000089556294 568937408 /nfs/dbraw/zinc/93/74/08/568937408.db2.gz YFHSPNDIEWOEIC-UHFFFAOYSA-N 0 0 431.500 2.776 50 0 IFAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC3CCN([C@@H]4CCOC4=O)CC3)c12 ZINC000089567453 568937649 /nfs/dbraw/zinc/93/76/49/568937649.db2.gz JEGQEVBQRYPTPV-LJQANCHMSA-N 0 0 438.459 2.847 50 0 IFAARN COc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 ZINC000089568856 568937818 /nfs/dbraw/zinc/93/78/18/568937818.db2.gz KYJRIPMSJZFATB-UHFFFAOYSA-N 0 0 431.558 2.565 50 0 IFAARN O=C1COc2ccc(S(=O)(=O)NC3CCCCC3)cc2N1Cc1noc(C2CCC2)n1 ZINC000064605669 568939693 /nfs/dbraw/zinc/93/96/93/568939693.db2.gz YJIOTOUCLKZBPQ-UHFFFAOYSA-N 0 0 446.529 2.874 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035991573 568941814 /nfs/dbraw/zinc/94/18/14/568941814.db2.gz BZPBUWOIALEHDD-JXFKEZNVSA-N 0 0 447.507 2.614 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccsc1 ZINC000035991627 568941833 /nfs/dbraw/zinc/94/18/33/568941833.db2.gz OPLRDBCRAWNQCH-KSSFIOAISA-N 0 0 435.546 2.537 50 0 IFAARN CCOc1ccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)[C@H](C)CC)cc1 ZINC000036063820 568944775 /nfs/dbraw/zinc/94/47/75/568944775.db2.gz ISUMQIQAHCWEBW-LJQANCHMSA-N 0 0 444.576 2.936 50 0 IFAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C4CCC4)C4CC4)CC3)nn2)cc1 ZINC000036065252 568944845 /nfs/dbraw/zinc/94/48/45/568944845.db2.gz SRQJQCPDFNURAO-UHFFFAOYSA-N 0 0 449.555 2.592 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036080243 568946610 /nfs/dbraw/zinc/94/66/10/568946610.db2.gz QQJDQGZNEPRWQL-BEFAXECRSA-N 0 0 449.935 2.786 50 0 IFAARN CCN(CC)C(=O)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036085611 568947766 /nfs/dbraw/zinc/94/77/66/568947766.db2.gz NVWAEVSCYIYUPG-UHFFFAOYSA-N 0 0 430.867 2.717 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccccc3)nn(-c3ccccc3F)c2=O)c1 ZINC000036085260 568947815 /nfs/dbraw/zinc/94/78/15/568947815.db2.gz QULBGRGIQBTEMX-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036085291 568947867 /nfs/dbraw/zinc/94/78/67/568947867.db2.gz ZSEKEDGKNNMDKB-ZDUSSCGKSA-N 0 0 430.867 2.763 50 0 IFAARN CCN(CC)C(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036085307 568947968 /nfs/dbraw/zinc/94/79/68/568947968.db2.gz DXXFNWGKBWTKLD-UHFFFAOYSA-N 0 0 430.867 2.717 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3cccc(F)c3)nn(-c3ccccc3)c2=O)c1 ZINC000036086025 568948451 /nfs/dbraw/zinc/94/84/51/568948451.db2.gz OGZAJKXVMXNXFV-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000036086159 568948499 /nfs/dbraw/zinc/94/84/99/568948499.db2.gz PVSMFMSCQMQJDF-AWEZNQCLSA-N 0 0 446.429 2.990 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036087388 568948853 /nfs/dbraw/zinc/94/88/53/568948853.db2.gz ZSNKJYTWOACRHG-OAHLLOKOSA-N 0 0 426.904 2.933 50 0 IFAARN Cc1cccc(-n2nc(C(=O)NCc3ccc(F)cc3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036086809 568949151 /nfs/dbraw/zinc/94/91/51/568949151.db2.gz CHSINUIDFVBDCN-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN Cc1cccc(-n2nc(C(=O)NC3CC3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)c1 ZINC000036087060 568949332 /nfs/dbraw/zinc/94/93/32/568949332.db2.gz IMJULHILVFIQMW-UHFFFAOYSA-N 0 0 444.413 2.662 50 0 IFAARN Cc1cccc(-n2nc(C(=O)NC(C)C)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)c1 ZINC000036087054 568949448 /nfs/dbraw/zinc/94/94/48/568949448.db2.gz PWNXVQUGOACGRI-UHFFFAOYSA-N 0 0 446.429 2.908 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(OC)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036087741 568949762 /nfs/dbraw/zinc/94/97/62/568949762.db2.gz CAUDZHRSRQIIAY-CQSZACIVSA-N 0 0 442.903 2.633 50 0 IFAARN COc1ccc(-c2ncc3c(ncn(CC(=O)Nc4ccc(OC)c(OC)c4)c3=O)n2)cc1 ZINC000064747819 568950350 /nfs/dbraw/zinc/95/03/50/568950350.db2.gz FKBGIIAAQUSRQO-UHFFFAOYSA-N 0 0 447.451 2.518 50 0 IFAARN Cc1cc(C)cc(-n2nc(C(=O)N3CCCC3)c(=O)n(Cc3cccc(Cl)c3)c2=O)c1 ZINC000036094055 568950795 /nfs/dbraw/zinc/95/07/95/568950795.db2.gz RNTNIAGLRLOVSQ-UHFFFAOYSA-N 0 0 438.915 2.949 50 0 IFAARN COc1ccccc1NC(=O)NCCn1c(C)nc2cc(S(=O)(=O)NC(C)C)ccc21 ZINC000064755567 568951181 /nfs/dbraw/zinc/95/11/81/568951181.db2.gz LILWZGAXSOINMS-UHFFFAOYSA-N 0 0 445.545 2.862 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CCNc2c(-c3ccc(C)cc3)nc3cnccn32)CC1 ZINC000064758761 568951536 /nfs/dbraw/zinc/95/15/36/568951536.db2.gz UVKGTNFOZZFYMC-UHFFFAOYSA-N 0 0 436.516 2.807 50 0 IFAARN COc1cccc(-c2nc3cnccn3c2NCCC(=O)N2CCC3(CC2)OCCO3)c1 ZINC000064759160 568951849 /nfs/dbraw/zinc/95/18/49/568951849.db2.gz KNHCNXIFSSIUBT-UHFFFAOYSA-N 0 0 437.500 2.572 50 0 IFAARN Cc1ccc(S(=O)(=O)c2ccc(N3CCC(C(=O)NCc4ccco4)CC3)nn2)cc1 ZINC000064775319 568954558 /nfs/dbraw/zinc/95/45/58/568954558.db2.gz FFQGAUPVANHDIE-UHFFFAOYSA-N 0 0 440.525 2.744 50 0 IFAARN Cn1ncc2c3ccccc3n(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c2c1=O ZINC000064775813 568954892 /nfs/dbraw/zinc/95/48/92/568954892.db2.gz JDZPKHPTQWDOJM-UHFFFAOYSA-N 0 0 435.915 2.890 50 0 IFAARN C[C@H](C(=O)N1CCN(c2ccccc2F)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775987 568954908 /nfs/dbraw/zinc/95/49/08/568954908.db2.gz QDICYXHAELLNHQ-MRXNPFEDSA-N 0 0 433.487 2.937 50 0 IFAARN O=C(CCc1nc(-c2cc3ccccc3[nH]c2=O)no1)N1CCN(Cc2ccccc2)CC1 ZINC000064790028 568957163 /nfs/dbraw/zinc/95/71/63/568957163.db2.gz WZDNCAOGJJLPHM-UHFFFAOYSA-N 0 0 443.507 2.855 50 0 IFAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccc(Cl)cc1)N1CCOCC1 ZINC000064792869 568959384 /nfs/dbraw/zinc/95/93/84/568959384.db2.gz UZBMVMGZNFYXNF-FQEVSTJZSA-N 0 0 436.903 2.636 50 0 IFAARN CCOCCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC[C@H](O)COC)cc2)n1 ZINC000036145736 568961676 /nfs/dbraw/zinc/96/16/76/568961676.db2.gz XNGZUCLHIYXODR-FQEVSTJZSA-N 0 0 430.480 2.908 50 0 IFAARN COCCCNC(=O)Cc1c(C)n(Cc2ccccc2)c2nc(-c3ccccc3)nn2c1=O ZINC000064813687 568963863 /nfs/dbraw/zinc/96/38/63/568963863.db2.gz JYHBNLGHQURVOY-UHFFFAOYSA-N 0 0 445.523 2.610 50 0 IFAARN Cc1noc(C)c1CCNC(=O)CN1c2cc(-c3cccc(Cl)c3)nn2CCC1=O ZINC000064817759 568964887 /nfs/dbraw/zinc/96/48/87/568964887.db2.gz JRHVYCHYIBOBQO-UHFFFAOYSA-N 0 0 427.892 2.904 50 0 IFAARN Cc1ccc(-c2cc3n(n2)CCC(=O)N3CC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000064817772 568964909 /nfs/dbraw/zinc/96/49/09/568964909.db2.gz KHPQZNGXJIMZEG-UHFFFAOYSA-N 0 0 429.524 2.944 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2Cc1cc(C=O)ccc1OC ZINC000064817621 568964943 /nfs/dbraw/zinc/96/49/43/568964943.db2.gz FTSZERZAVXPSJR-UHFFFAOYSA-N 0 0 432.480 2.606 50 0 IFAARN CCCOC(=O)Cn1c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2oc1=O ZINC000064818868 568965558 /nfs/dbraw/zinc/96/55/58/568965558.db2.gz KHKQFSDIIVEANP-UHFFFAOYSA-N 0 0 430.482 2.689 50 0 IFAARN CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21 ZINC000064818895 568965616 /nfs/dbraw/zinc/96/56/16/568965616.db2.gz WHMOOHJTRWZAOO-UHFFFAOYSA-N 0 0 426.397 2.627 50 0 IFAARN O=C(CNS(=O)(=O)c1ccccc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000064818269 568966384 /nfs/dbraw/zinc/96/63/84/568966384.db2.gz OHHQRQQEDFLZEJ-UHFFFAOYSA-N 0 0 444.488 2.560 50 0 IFAARN CC(C)NC(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000036158322 568966650 /nfs/dbraw/zinc/96/66/50/568966650.db2.gz KCFFXVQICRDNMY-HSZRJFAPSA-N 0 0 439.531 2.930 50 0 IFAARN CSc1ccc(CCNC(=O)c2cc(=O)nc3sc(N4CCCCC4)nn32)cc1 ZINC000064836300 568969244 /nfs/dbraw/zinc/96/92/44/568969244.db2.gz SJHXSHXLRZLFSS-UHFFFAOYSA-N 0 0 429.571 2.836 50 0 IFAARN CCOc1ccc(CNC(=O)c2cc(=O)nc3sc(N4CCC(C)CC4)nn32)cc1 ZINC000064836418 568969412 /nfs/dbraw/zinc/96/94/12/568969412.db2.gz XNVJTNJHSOLTLG-UHFFFAOYSA-N 0 0 427.530 2.716 50 0 IFAARN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2N2CCC(Cc3ccccc3)CC2)CC1 ZINC000006739419 568970000 /nfs/dbraw/zinc/97/00/00/568970000.db2.gz GDMZWSRNOBTCCF-UHFFFAOYSA-N 0 0 425.529 2.775 50 0 IFAARN COc1ccc(OCc2nc(CCN(C)S(=O)(=O)c3cc(F)ccc3C)no2)cc1 ZINC000064842043 568970691 /nfs/dbraw/zinc/97/06/91/568970691.db2.gz RDZDKODLRBPBHI-UHFFFAOYSA-N 0 0 435.477 2.968 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 ZINC000064846554 568972084 /nfs/dbraw/zinc/97/20/84/568972084.db2.gz QGUIFYRNADIBDE-UHFFFAOYSA-N 0 0 435.590 2.835 50 0 IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@H](O)COC(C)(C)C ZINC000036204961 568972659 /nfs/dbraw/zinc/97/26/59/568972659.db2.gz HEHFMHOLFIAESE-GJZGRUSLSA-N 0 0 437.606 2.734 50 0 IFAARN COCCCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C[C@@H](O)c1ccccc1 ZINC000036206974 568972891 /nfs/dbraw/zinc/97/28/91/568972891.db2.gz GHFDKCPUBBYBPU-MRXNPFEDSA-N 0 0 445.541 2.652 50 0 IFAARN O=C(N[C@@H](C(=O)NC1CC1)C1CCN(C(=O)c2cccs2)CC1)c1ccc(F)cc1 ZINC000036208748 568973576 /nfs/dbraw/zinc/97/35/76/568973576.db2.gz RJJSBTWAUJYSKW-LJQANCHMSA-N 0 0 429.517 2.817 50 0 IFAARN Cc1ccc(C(=O)N2CCC([C@@H](NC(=O)c3cccs3)C(=O)NC3CC3)CC2)cc1 ZINC000036209512 568973741 /nfs/dbraw/zinc/97/37/41/568973741.db2.gz HRPSYKWRUIMZQV-HXUWFJFHSA-N 0 0 425.554 2.986 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)NC(C)C)C2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000036210288 568974693 /nfs/dbraw/zinc/97/46/93/568974693.db2.gz RPTNWONQWLDUPY-OAQYLSRUSA-N 0 0 429.561 2.747 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000036210593 568974997 /nfs/dbraw/zinc/97/49/97/568974997.db2.gz JJSUZDVSJCEUKN-JOCHJYFZSA-N 0 0 429.561 2.701 50 0 IFAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC(C)C)CC1 ZINC000036211514 568975473 /nfs/dbraw/zinc/97/54/73/568975473.db2.gz CZTMINFCHBFOJT-AOMKIAJQSA-N 0 0 445.560 2.713 50 0 IFAARN Cc1ccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000036212996 568976817 /nfs/dbraw/zinc/97/68/17/568976817.db2.gz ZMGXBXLBGLQMKN-OAQYLSRUSA-N 0 0 425.529 2.897 50 0 IFAARN COCCCNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036213312 568976924 /nfs/dbraw/zinc/97/69/24/568976924.db2.gz DZDACLUGGVKGLL-QFIPXVFZSA-N 0 0 431.577 2.531 50 0 IFAARN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCC1)C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036214206 568977301 /nfs/dbraw/zinc/97/73/01/568977301.db2.gz LFLNRKOWZNRADT-FQEVSTJZSA-N 0 0 428.577 2.936 50 0 IFAARN CCNC(=S)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)N2CCCC[C@H]2C)CC1 ZINC000036214599 568977413 /nfs/dbraw/zinc/97/74/13/568977413.db2.gz PNHXICKXOULLOE-XLIONFOSSA-N 0 0 430.618 2.792 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3nccnc32)c(Cl)c1 ZINC000064874354 568978605 /nfs/dbraw/zinc/97/86/05/568978605.db2.gz LVHLWHUHLOWJIF-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN CCc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3nccnc32)c1 ZINC000064887587 568979010 /nfs/dbraw/zinc/97/90/10/568979010.db2.gz GPTHUSMFLGPZSO-UHFFFAOYSA-N 0 0 449.898 2.856 50 0 IFAARN CC[C@H](C(=O)NCCc1ccc(Cl)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000064888587 568979681 /nfs/dbraw/zinc/97/96/81/568979681.db2.gz GHOPWFLWLVJPEX-HXUWFJFHSA-N 0 0 445.922 2.787 50 0 IFAARN COc1ccccc1CNC(=O)CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064888901 568979724 /nfs/dbraw/zinc/97/97/24/568979724.db2.gz IRSNDTPJGGBDBJ-UHFFFAOYSA-N 0 0 442.541 2.536 50 0 IFAARN O=C(CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1 ZINC000064888904 568979737 /nfs/dbraw/zinc/97/97/37/568979737.db2.gz JCSLBKKSYZZXJG-UHFFFAOYSA-N 0 0 430.505 2.666 50 0 IFAARN O=C(CCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1cccc(F)c1 ZINC000064889248 568979917 /nfs/dbraw/zinc/97/99/17/568979917.db2.gz MZOOQHKRSOZXJK-UHFFFAOYSA-N 0 0 431.493 2.774 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2CCC(=O)Nc1nccs1 ZINC000064889008 568980024 /nfs/dbraw/zinc/98/00/24/568980024.db2.gz WVZPNLWWXSZIMN-UHFFFAOYSA-N 0 0 447.464 2.791 50 0 IFAARN Cc1nc(-c2ccc(N3CCN(C(=O)[C@H](NC(=O)c4ccco4)C(C)C)CC3)cc2)no1 ZINC000064889438 568980093 /nfs/dbraw/zinc/98/00/93/568980093.db2.gz WICOWBZWHWUBNR-HXUWFJFHSA-N 0 0 437.500 2.741 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1cc(C)ccc1OC ZINC000064889418 568980116 /nfs/dbraw/zinc/98/01/16/568980116.db2.gz MUIXROVGYGCMSR-UHFFFAOYSA-N 0 0 445.545 2.808 50 0 IFAARN CCc1ccccc1NC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064889164 568980191 /nfs/dbraw/zinc/98/01/91/568980191.db2.gz NXUQUUAQHHDOGX-UHFFFAOYSA-N 0 0 427.530 2.807 50 0 IFAARN COc1ccc(C)cc1NC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064889216 568980416 /nfs/dbraw/zinc/98/04/16/568980416.db2.gz ULNKSADTXTTYNJ-UHFFFAOYSA-N 0 0 443.529 2.562 50 0 IFAARN O=C(CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCC1=CCCCC1 ZINC000064889212 568980422 /nfs/dbraw/zinc/98/04/22/568980422.db2.gz UVCHFWBGYBZHHB-UHFFFAOYSA-N 0 0 431.562 2.613 50 0 IFAARN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000064889478 568980986 /nfs/dbraw/zinc/98/09/86/568980986.db2.gz PBELSJKTCMNQMY-OAHLLOKOSA-N 0 0 435.484 2.674 50 0 IFAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)CCC4CCCC4)CC3)cc2NC1=O ZINC000064890118 568981107 /nfs/dbraw/zinc/98/11/07/568981107.db2.gz APHRSNVLKNZHBM-LJQANCHMSA-N 0 0 449.573 2.599 50 0 IFAARN COc1cccc(NC(=O)CCn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)c1 ZINC000064892029 568982914 /nfs/dbraw/zinc/98/29/14/568982914.db2.gz CCKCSPURNFJJIU-MRXNPFEDSA-N 0 0 432.480 2.872 50 0 IFAARN O=C(/C=C/c1ccccc1)N1CCN([C@H](C(=O)N2CCSCC2)C2CCCC2)CC1 ZINC000036251179 568984454 /nfs/dbraw/zinc/98/44/54/568984454.db2.gz OJVBPAFNMNWFTP-YSESTWPTSA-N 0 0 427.614 2.978 50 0 IFAARN O=C(NC[C@@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036253820 568984516 /nfs/dbraw/zinc/98/45/16/568984516.db2.gz ZLSWCIKJHSEKMZ-RXVVDRJESA-N 0 0 433.980 2.952 50 0 IFAARN CCc1ccc(C(=O)N2CCN([C@@H](C(=O)NC[C@@H]3CCCO3)C3CCCC3)CC2)cc1 ZINC000036254149 568984563 /nfs/dbraw/zinc/98/45/63/568984563.db2.gz YUXRSPRHBMKGEN-XZOQPEGZSA-N 0 0 427.589 2.861 50 0 IFAARN CCc1ccc(C(=O)N2CCN([C@@H](C(=O)NC[C@H]3CCCO3)C3CCCC3)CC2)cc1 ZINC000036254157 568984610 /nfs/dbraw/zinc/98/46/10/568984610.db2.gz YUXRSPRHBMKGEN-DHIUTWEWSA-N 0 0 427.589 2.861 50 0 IFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C)o4)s3)CC2)cc1 ZINC000064920029 568985412 /nfs/dbraw/zinc/98/54/12/568985412.db2.gz SSPDJBBYMHZRMK-UHFFFAOYSA-N 0 0 432.527 2.820 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1F)O[C@H](C)C(=O)N2 ZINC000064920979 568985580 /nfs/dbraw/zinc/98/55/80/568985580.db2.gz JVSBOZOWJPAVMC-CXAGYDPISA-N 0 0 447.488 2.645 50 0 IFAARN Cc1c(S(=O)(=O)N2CCCCC2)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1C ZINC000064922688 568985995 /nfs/dbraw/zinc/98/59/95/568985995.db2.gz CZSOAXJQRNPJIH-UHFFFAOYSA-N 0 0 448.564 2.610 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(C)n2C)cc1 ZINC000064922646 568986014 /nfs/dbraw/zinc/98/60/14/568986014.db2.gz HLHQLWSOTIRNEW-UHFFFAOYSA-N 0 0 433.530 2.937 50 0 IFAARN Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)NCc1cccc(C)c1 ZINC000064925004 568986451 /nfs/dbraw/zinc/98/64/51/568986451.db2.gz GBZPNSNWNVVITR-UHFFFAOYSA-N 0 0 434.544 2.673 50 0 IFAARN Cc1ccc(-n2nc(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)ccc2=O)cc1Cl ZINC000064927815 568986702 /nfs/dbraw/zinc/98/67/02/568986702.db2.gz ZRNUCZJUBPWUGP-SFHVURJKSA-N 0 0 430.936 2.706 50 0 IFAARN CCOCCCNC(=O)C1CCN(c2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)CC1 ZINC000064927854 568986724 /nfs/dbraw/zinc/98/67/24/568986724.db2.gz IFKMECGYCYCQKR-UHFFFAOYSA-N 0 0 432.952 2.954 50 0 IFAARN COc1ccc(-n2nc(N3CCC(C(=O)NCc4cccc(F)c4)CC3)ccc2=O)cc1 ZINC000064927231 568986947 /nfs/dbraw/zinc/98/69/47/568986947.db2.gz CHLCJWPOCABNQM-UHFFFAOYSA-N 0 0 436.487 2.913 50 0 IFAARN COc1ccc(CNC(=O)C2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000064927410 568987166 /nfs/dbraw/zinc/98/71/66/568987166.db2.gz NZHHVLNKHPMCKQ-UHFFFAOYSA-N 0 0 436.487 2.913 50 0 IFAARN CCOCCCNC(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000064930778 568989314 /nfs/dbraw/zinc/98/93/14/568989314.db2.gz VHPDIRFKMZFAHZ-CQSZACIVSA-N 0 0 447.517 2.792 50 0 IFAARN O=C(Cn1c2c3cccnc3sc2c(=O)n(C[C@H]2CCCO2)c1=O)Nc1ccccc1 ZINC000064942137 568991281 /nfs/dbraw/zinc/99/12/81/568991281.db2.gz QSNGSHDIIVZUCZ-OAHLLOKOSA-N 0 0 436.493 2.591 50 0 IFAARN COc1cccc(NC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccc(C)cc3)c2=O)c1 ZINC000169681090 568991501 /nfs/dbraw/zinc/99/15/01/568991501.db2.gz DINDXFNLVZUKEP-UHFFFAOYSA-N 0 0 441.509 2.913 50 0 IFAARN Cc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3Cl)n2)c1 ZINC000064943563 568992803 /nfs/dbraw/zinc/99/28/03/568992803.db2.gz WLFVACZGEMZDHT-UHFFFAOYSA-N 0 0 431.901 2.985 50 0 IFAARN O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4)NCCc1ccc(Cl)cc1 ZINC000064945724 568992941 /nfs/dbraw/zinc/99/29/41/568992941.db2.gz PSBLOFATLWTXPG-UHFFFAOYSA-N 0 0 441.944 2.997 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)Nc4cccc(C(C)=O)c4)cc3oc2=O)no1 ZINC000064946893 568993837 /nfs/dbraw/zinc/99/38/37/568993837.db2.gz QLATXVBMHDRNQF-UHFFFAOYSA-N 0 0 442.453 2.592 50 0 IFAARN Cc1nc(Cn2c(=O)oc3cc(S(=O)(=O)Nc4ccc(Cl)cc4F)ccc32)no1 ZINC000064946863 568993859 /nfs/dbraw/zinc/99/38/59/568993859.db2.gz QBQUNHBBDJGYFK-UHFFFAOYSA-N 0 0 438.824 2.928 50 0 IFAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1-c1nc(-c2cccnc2)no1 ZINC000064948511 568994567 /nfs/dbraw/zinc/99/45/67/568994567.db2.gz UUDNHPLDRIKNMG-UHFFFAOYSA-N 0 0 426.454 2.874 50 0 IFAARN O=C(CN1C(=O)COc2ccc(C(=O)NCc3ccccc3Cl)cc21)N1CCCC1 ZINC000064956681 568998264 /nfs/dbraw/zinc/99/82/64/568998264.db2.gz DAUOJOIPXJDMKO-UHFFFAOYSA-N 0 0 427.888 2.618 50 0 IFAARN CCc1ccc(NC(=O)NCCn2nnc3cc(S(=O)(=O)NC(C)C)ccc32)cc1 ZINC000064956654 568998379 /nfs/dbraw/zinc/99/83/79/568998379.db2.gz BFJUCAMIKTVULC-UHFFFAOYSA-N 0 0 430.534 2.502 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(OC)c(Cl)c3)C2)c1 ZINC000064957989 568999095 /nfs/dbraw/zinc/99/90/95/568999095.db2.gz ALCRFHGFJKIYMR-CYBMUJFWSA-N 0 0 426.926 2.604 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4ccc(OC)cc4s3)C2)c1 ZINC000064957781 568999101 /nfs/dbraw/zinc/99/91/01/568999101.db2.gz HLZRVNDGFIKFER-ZDUSSCGKSA-N 0 0 449.558 2.561 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)c1 ZINC000064958223 568999458 /nfs/dbraw/zinc/99/94/58/568999458.db2.gz ROPCRFSROWESKI-OAHLLOKOSA-N 0 0 436.534 2.521 50 0 IFAARN Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)C1 ZINC000169684170 569000065 /nfs/dbraw/zinc/00/00/65/569000065.db2.gz UQILGDBNCMATNM-CVEARBPZSA-N 0 0 443.525 2.754 50 0 IFAARN O=S(=O)(NCCc1nnc(Cc2cccc(F)c2)[nH]1)c1ccc(Br)cc1 ZINC000064969739 569076316 /nfs/dbraw/zinc/07/63/16/569076316.db2.gz YNPFSSNNAHEJPI-UHFFFAOYSA-N 0 0 439.310 2.818 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)cc1 ZINC000064977651 569077514 /nfs/dbraw/zinc/07/75/14/569077514.db2.gz AJOQVVCNVSEAIN-UHFFFAOYSA-N 0 0 447.499 2.983 50 0 IFAARN Cc1nn(-c2ccc3nnc(C)n3n2)c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000064977622 569077526 /nfs/dbraw/zinc/07/75/26/569077526.db2.gz DYYANJPAHJUHRS-UHFFFAOYSA-N 0 0 444.543 2.517 50 0 IFAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCOCC2)c1 ZINC000036341719 569079022 /nfs/dbraw/zinc/07/90/22/569079022.db2.gz SCTMGXABMFUTEH-OAQYLSRUSA-N 0 0 427.476 2.853 50 0 IFAARN Cn1cccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CCC(C(N)=O)CC1 ZINC000036342451 569079494 /nfs/dbraw/zinc/07/94/94/569079494.db2.gz MDBSFCJPMFLTIB-HXUWFJFHSA-N 0 0 427.936 2.554 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCN(C)CC3)[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344944 569080394 /nfs/dbraw/zinc/08/03/94/569080394.db2.gz FKTVOOZFIJIOHN-HSZRJFAPSA-N 0 0 436.556 2.937 50 0 IFAARN COc1ccccc1[C@@H]1CC(c2cccc(C)c2)=NN1C(=O)CN1CCN(C(C)=O)CC1 ZINC000036345321 569080694 /nfs/dbraw/zinc/08/06/94/569080694.db2.gz SFUPZFSHTXVPAE-QHCPKHFHSA-N 0 0 434.540 2.845 50 0 IFAARN CCN(CC)C(=O)[C@H](NC(=O)CC(C)C)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000036347070 569081559 /nfs/dbraw/zinc/08/15/59/569081559.db2.gz TVQYASSPIZSTKS-JOCHJYFZSA-N 0 0 431.577 2.947 50 0 IFAARN CCN(C)S(=O)(=O)c1cc2c(cc1N1CCN(CC)CC1)Oc1ccccc1NC2=O ZINC000064986660 569082249 /nfs/dbraw/zinc/08/22/49/569082249.db2.gz ZIQDNWBBTWCCMQ-UHFFFAOYSA-N 0 0 444.557 2.827 50 0 IFAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccnc3)Oc3cc(C)ccc32)cc1 ZINC000064986416 569082366 /nfs/dbraw/zinc/08/23/66/569082366.db2.gz LJWUVUXNPWTFEE-NRFANRHFSA-N 0 0 439.493 2.994 50 0 IFAARN COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1OC ZINC000064987877 569082829 /nfs/dbraw/zinc/08/28/29/569082829.db2.gz IQJMJWFCOUXIBO-UHFFFAOYSA-N 0 0 445.497 2.750 50 0 IFAARN CCOC(=O)[C@H](C)NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2 ZINC000064990814 569083462 /nfs/dbraw/zinc/08/34/62/569083462.db2.gz VTLGPSFHMPNNNN-HNNXBMFYSA-N 0 0 425.485 2.649 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccccc3F)s2)cc1 ZINC000064991784 569084680 /nfs/dbraw/zinc/08/46/80/569084680.db2.gz AAHFBOLVKYIQAA-UHFFFAOYSA-N 0 0 436.490 2.807 50 0 IFAARN CC[C@H](C)N(C(=O)COC(=O)c1csc2c1CC[C@H](C)C2)[C@H]1CCS(=O)(=O)C1 ZINC000006838836 569085177 /nfs/dbraw/zinc/08/51/77/569085177.db2.gz TYKILEMHHKDAHO-KKUMJFAQSA-N 0 0 427.588 2.844 50 0 IFAARN COc1cc(-c2noc(-c3ccc(S(=O)(=O)N4CCOCC4)o3)n2)ccc1OC(C)C ZINC000036365189 569086802 /nfs/dbraw/zinc/08/68/02/569086802.db2.gz PXANRQZWIPHCOH-UHFFFAOYSA-N 0 0 449.485 2.813 50 0 IFAARN O=C(Nc1nccs1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 ZINC000036365470 569086833 /nfs/dbraw/zinc/08/68/33/569086833.db2.gz IYJAFBWGRVYZTJ-HNNXBMFYSA-N 0 0 448.570 2.699 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2oc(COc3ccc(C(=O)N4CCOCC4)cc3)cc2c1 ZINC000036366811 569087286 /nfs/dbraw/zinc/08/72/86/569087286.db2.gz VKBMPXBDRUCZGH-UHFFFAOYSA-N 0 0 444.509 2.735 50 0 IFAARN COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3ccccc3OC)ccc2n1C ZINC000036369947 569088521 /nfs/dbraw/zinc/08/85/21/569088521.db2.gz FMGMJWUWUYSBJU-UHFFFAOYSA-N 0 0 433.468 2.947 50 0 IFAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)NC(C)(C)CC)c(Cl)cc32)no1 ZINC000065022513 569088909 /nfs/dbraw/zinc/08/89/09/569088909.db2.gz SWFJLTVIWASKGU-UHFFFAOYSA-N 0 0 442.925 2.678 50 0 IFAARN CC(C)n1c2ccc(S(=O)(=O)N3CCC(C(=O)NC(C)(C)C)CC3)cc2sc1=O ZINC000065022209 569089060 /nfs/dbraw/zinc/08/90/60/569089060.db2.gz PBCATIPGYKJEJS-UHFFFAOYSA-N 0 0 439.603 2.959 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N3CCC(C(=O)N[C@@H](C)CC)CC3)cc2sc1=O ZINC000065022283 569089064 /nfs/dbraw/zinc/08/90/64/569089064.db2.gz ORQSMWFZQAJABL-AWEZNQCLSA-N 0 0 439.603 2.788 50 0 IFAARN Cn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)cc4)CC3)ccc21 ZINC000065022017 569089077 /nfs/dbraw/zinc/08/90/77/569089077.db2.gz AELYTYDNKRPCDH-UHFFFAOYSA-N 0 0 449.529 2.779 50 0 IFAARN Cc1nc2onc(-c3ccc(F)cc3)c2c(OCC(=O)N[C@@H](C)C(=O)N2CCCCC2)n1 ZINC000065024763 569089744 /nfs/dbraw/zinc/08/97/44/569089744.db2.gz MCRKIKDTGNDLSS-ZDUSSCGKSA-N 0 0 441.463 2.628 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccccc1C ZINC000065029945 569091194 /nfs/dbraw/zinc/09/11/94/569091194.db2.gz PECYCECYTKLSHZ-UHFFFAOYSA-N 0 0 430.534 2.592 50 0 IFAARN Cc1csc(CC(=O)N2CCN(CC(=O)Nc3cc(-c4ccc(C)cc4)no3)CC2)n1 ZINC000036386054 569092937 /nfs/dbraw/zinc/09/29/37/569092937.db2.gz LDINVZBNGBYFHC-UHFFFAOYSA-N 0 0 439.541 2.740 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)NCc1ccc(Cl)cc1 ZINC000169752348 569093082 /nfs/dbraw/zinc/09/30/82/569093082.db2.gz VRDVCFMHKBOPCN-UHFFFAOYSA-N 0 0 440.862 2.764 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)[C@H](c2ccccc2)C1 ZINC000036387076 569093099 /nfs/dbraw/zinc/09/30/99/569093099.db2.gz XXLNRXUKIIGSNG-SFHVURJKSA-N 0 0 441.475 2.656 50 0 IFAARN Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c(C)n1C1CC1 ZINC000036387053 569093105 /nfs/dbraw/zinc/09/31/05/569093105.db2.gz RUWMCWPOBKJGAT-UHFFFAOYSA-N 0 0 448.614 2.746 50 0 IFAARN CC(=O)C[C@@H]1N(C2CCCCCC2)C(=O)[C@@H]2N(C3CCCCC3)C(=O)[C@@H]3CC(=O)O[C@]321 ZINC000169752391 569093220 /nfs/dbraw/zinc/09/32/20/569093220.db2.gz PDZJHBREDMLRBA-RSKVWTTASA-N 0 0 430.545 2.745 50 0 IFAARN CC(=O)C[C@@H]1N(Cc2ccccc2)C(=O)[C@@H]2N(c3ccc(C)c(C)c3)C(=O)[C@@H]3CC(=O)O[C@]321 ZINC000169752405 569093263 /nfs/dbraw/zinc/09/32/63/569093263.db2.gz YXJDWIYXSUAMBD-NTPMPWFXSA-N 0 0 446.503 2.711 50 0 IFAARN CN(C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)[C@@H]1CCCc2ccccc21 ZINC000036386813 569093331 /nfs/dbraw/zinc/09/33/31/569093331.db2.gz TVRIWMIYKMOHQS-LJQANCHMSA-N 0 0 433.599 2.590 50 0 IFAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)C2=C1C(=O)OC2 ZINC000169758171 569094330 /nfs/dbraw/zinc/09/43/30/569094330.db2.gz HHQJDRBFLUAHAE-QFIPXVFZSA-N 0 0 449.463 2.804 50 0 IFAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)C2=C1C(=O)OC2 ZINC000169758172 569094367 /nfs/dbraw/zinc/09/43/67/569094367.db2.gz HHQJDRBFLUAHAE-JOCHJYFZSA-N 0 0 449.463 2.804 50 0 IFAARN O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)N1CCN(c2cccc(Cl)c2)CC1 ZINC000169760021 569094601 /nfs/dbraw/zinc/09/46/01/569094601.db2.gz HNPACLWUZDQXQS-UHFFFAOYSA-N 0 0 439.947 2.767 50 0 IFAARN CCn1c(=O)n(CC(=O)N2CCCCCC2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065056962 569095040 /nfs/dbraw/zinc/09/50/40/569095040.db2.gz RRFJCKBJVGZACD-UHFFFAOYSA-N 0 0 441.919 2.696 50 0 IFAARN Cc1ccc(-c2ncc3c(=O)n(CC(=O)Nc4ccc(C)c(C)c4)c(=O)n(C)c3n2)cc1 ZINC000065057225 569095155 /nfs/dbraw/zinc/09/51/55/569095155.db2.gz KJXKTDSEEDGLJU-UHFFFAOYSA-N 0 0 429.480 2.721 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3cccc(OC)c3)C2)cc1 ZINC000065059378 569096078 /nfs/dbraw/zinc/09/60/78/569096078.db2.gz XSENRQUWWXPERX-JOCHJYFZSA-N 0 0 432.542 2.811 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)c1 ZINC000065059562 569096215 /nfs/dbraw/zinc/09/62/15/569096215.db2.gz LZYKSDNCXXJPOQ-QFIPXVFZSA-N 0 0 432.542 2.811 50 0 IFAARN COc1ccc2nc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)ccc2c1 ZINC000036390271 569096519 /nfs/dbraw/zinc/09/65/19/569096519.db2.gz SWHIOLNQXUNELI-UHFFFAOYSA-N 0 0 431.539 2.888 50 0 IFAARN Cc1nc(-c2c(=O)n(Cc3cccc(Br)c3)c(=O)n3c2CCCCC3)no1 ZINC000169764034 569096618 /nfs/dbraw/zinc/09/66/18/569096618.db2.gz ABKIEAKKYNZVNH-UHFFFAOYSA-N 0 0 431.290 2.906 50 0 IFAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3ccc(CC)cc3)c(=O)n3c2CCCCC3)no1 ZINC000169763950 569096671 /nfs/dbraw/zinc/09/66/71/569096671.db2.gz YNOTYIZGHATJRG-UHFFFAOYSA-N 0 0 437.500 2.550 50 0 IFAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)N(C)c2cccc(C)c2)C2=C1C(=O)OC2 ZINC000169764782 569096681 /nfs/dbraw/zinc/09/66/81/569096681.db2.gz ZGAIQJZFNBEARY-JOCHJYFZSA-N 0 0 435.480 2.934 50 0 IFAARN CC(=O)Nc1cccc(C(=O)N2CCC3(CC2)NC(=O)N(c2cccc(Cl)c2)N3)c1 ZINC000169764140 569096683 /nfs/dbraw/zinc/09/66/83/569096683.db2.gz WQOAWEYHSCGATP-UHFFFAOYSA-N 0 0 427.892 2.965 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)Cc3ccccc3OC)CC2)cc1 ZINC000169770683 569098256 /nfs/dbraw/zinc/09/82/56/569098256.db2.gz OIKJHCSXIBTJQL-UHFFFAOYSA-N 0 0 436.512 2.586 50 0 IFAARN Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(F)c1 ZINC000036393311 569098422 /nfs/dbraw/zinc/09/84/22/569098422.db2.gz AWQNXOYBQGUUBS-FQEVSTJZSA-N 0 0 428.489 2.754 50 0 IFAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc2c(c1)OCCCO2 ZINC000036394973 569098738 /nfs/dbraw/zinc/09/87/38/569098738.db2.gz YCWYTUOFWGZXGH-UHFFFAOYSA-N 0 0 439.468 2.764 50 0 IFAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C(C)C)CC2)s1 ZINC000065075911 569099834 /nfs/dbraw/zinc/09/98/34/569099834.db2.gz ZTFFAJSGUDWMMH-UHFFFAOYSA-N 0 0 449.554 2.692 50 0 IFAARN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000036397095 569100125 /nfs/dbraw/zinc/10/01/25/569100125.db2.gz GUNLEEONGGEUCV-QFIPXVFZSA-N 0 0 448.502 2.727 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077191 569100178 /nfs/dbraw/zinc/10/01/78/569100178.db2.gz IGKYRJIHJBPEGD-UHFFFAOYSA-N 0 0 447.538 2.882 50 0 IFAARN O=C(CN1c2ccc(S(=O)(=O)N3CCCCC3)cc2CCCC1=O)NC1CCCCC1 ZINC000065078592 569100586 /nfs/dbraw/zinc/10/05/86/569100586.db2.gz LEXDNYFSQMNVEV-UHFFFAOYSA-N 0 0 447.601 2.979 50 0 IFAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)c(C)c1 ZINC000169775748 569101896 /nfs/dbraw/zinc/10/18/96/569101896.db2.gz LQDGOXPHDDOWRH-UHFFFAOYSA-N 0 0 430.464 2.939 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(OC)c(OC)c4)ccn3n2)cc1 ZINC000169775870 569101919 /nfs/dbraw/zinc/10/19/19/569101919.db2.gz IWOWDOAGFSAVJK-UHFFFAOYSA-N 0 0 448.479 2.619 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(OC)cc4OC)ccn3n2)cc1 ZINC000169775869 569101923 /nfs/dbraw/zinc/10/19/23/569101923.db2.gz PEXZCXGDZVZNMO-UHFFFAOYSA-N 0 0 448.479 2.619 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(OC)c(F)c4)ccn3n2)cc1 ZINC000169775854 569101967 /nfs/dbraw/zinc/10/19/67/569101967.db2.gz GKCLDVIAJWMUMN-UHFFFAOYSA-N 0 0 436.443 2.749 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(NC(C)=O)c4)ccn3n2)cc1 ZINC000169775841 569101978 /nfs/dbraw/zinc/10/19/78/569101978.db2.gz LMBDGUZDKUWHCE-UHFFFAOYSA-N 0 0 445.479 2.560 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(OC)c4OC)ccn3n2)cc1 ZINC000169775843 569101982 /nfs/dbraw/zinc/10/19/82/569101982.db2.gz PSXDZEKBKFGVHQ-UHFFFAOYSA-N 0 0 448.479 2.619 50 0 IFAARN COc1cc(OC)cc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c1 ZINC000169776344 569102397 /nfs/dbraw/zinc/10/23/97/569102397.db2.gz GRSKJMJXSXMTDX-UHFFFAOYSA-N 0 0 436.443 2.749 50 0 IFAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)s2)cc1 ZINC000065085286 569102757 /nfs/dbraw/zinc/10/27/57/569102757.db2.gz WQGGKHBIUTWNJK-UHFFFAOYSA-N 0 0 436.536 2.789 50 0 IFAARN CCCc1noc(-c2cn(C3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)nn2)n1 ZINC000169777402 569102862 /nfs/dbraw/zinc/10/28/62/569102862.db2.gz AJEQTUDAAZLCQI-UHFFFAOYSA-N 0 0 426.477 2.775 50 0 IFAARN Cc1cn2nc(-c3nc([C@H]4CCCN(C(=O)c5ccc(C)c(F)c5)C4)no3)cc2c(=O)[nH]1 ZINC000169780412 569103023 /nfs/dbraw/zinc/10/30/23/569103023.db2.gz DQFOIPSLXGELPV-HNNXBMFYSA-N 0 0 436.447 2.848 50 0 IFAARN Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1nc(-c2ccccc2)no1 ZINC000065100091 569104981 /nfs/dbraw/zinc/10/49/81/569104981.db2.gz SFAJAUILXYVNHK-UHFFFAOYSA-N 0 0 436.453 2.992 50 0 IFAARN CCCNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2ccc(OCC)cc2)c1=O ZINC000065101468 569105376 /nfs/dbraw/zinc/10/53/76/569105376.db2.gz UDWZORVEZMMRQC-UHFFFAOYSA-N 0 0 436.512 2.893 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)Nc4cccc(F)c4)c(=O)n3c2)cc1 ZINC000065100324 569105468 /nfs/dbraw/zinc/10/54/68/569105468.db2.gz PBHDAHOEJAGOAI-UHFFFAOYSA-N 0 0 433.443 2.512 50 0 IFAARN CSc1nc2c(s1)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)NCc1cccs1 ZINC000065100474 569105561 /nfs/dbraw/zinc/10/55/61/569105561.db2.gz ZOXVLWSUPQNGJD-UHFFFAOYSA-N 0 0 444.563 2.709 50 0 IFAARN CC(C)CNC(=O)CCc1nc2ccccc2n(CC(=O)NCCCc2ccccc2)c1=O ZINC000065101682 569105924 /nfs/dbraw/zinc/10/59/24/569105924.db2.gz YSBXDHRRJLJLSV-UHFFFAOYSA-N 0 0 448.567 2.850 50 0 IFAARN CCc1cccc(C)c1NS(=O)(=O)c1ccc2onc(C(=O)N3CCOCC3)c2c1 ZINC000065115454 569106712 /nfs/dbraw/zinc/10/67/12/569106712.db2.gz ROSCPNKSMPRAHS-UHFFFAOYSA-N 0 0 429.498 2.972 50 0 IFAARN CCOc1ccccc1CNS(=O)(=O)c1ccc2onc(C(=O)N3CCCC3)c2c1 ZINC000065115219 569106727 /nfs/dbraw/zinc/10/67/27/569106727.db2.gz WXSWGPZPSILYPO-UHFFFAOYSA-N 0 0 429.498 2.941 50 0 IFAARN O=C(NCc1cccc(Br)c1)c1nc(Cn2c(=O)oc3ccccc32)no1 ZINC000065111682 569107792 /nfs/dbraw/zinc/10/77/92/569107792.db2.gz OSKBOOHOMFNJKS-UHFFFAOYSA-N 0 0 429.230 2.718 50 0 IFAARN CC[C@H](NC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1)c1ccc(OC)cc1 ZINC000065113993 569108560 /nfs/dbraw/zinc/10/85/60/569108560.db2.gz UHBYZAJIUCTSQB-SFHVURJKSA-N 0 0 444.513 2.877 50 0 IFAARN O=C(Cn1nc(N2CCOCC2)c2ccccc2c1=O)Nc1ccccc1C(F)(F)F ZINC000065134297 569110140 /nfs/dbraw/zinc/11/01/40/569110140.db2.gz NGHDALFJNAGERL-UHFFFAOYSA-N 0 0 432.402 2.891 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(N3CCSCC3)c3ccccc3c2=O)c(OC)c1 ZINC000065134352 569110150 /nfs/dbraw/zinc/11/01/50/569110150.db2.gz YAKOPDXNNGGANJ-UHFFFAOYSA-N 0 0 440.525 2.606 50 0 IFAARN O=C(Cn1nc(N2CCOCC2)c2ccccc2c1=O)Nc1cccc(Br)c1 ZINC000065134310 569110210 /nfs/dbraw/zinc/11/02/10/569110210.db2.gz SHQXBTQAAHGEHA-UHFFFAOYSA-N 0 0 443.301 2.634 50 0 IFAARN Cn1cc(C(=O)Nc2cccc(Br)c2)c(S(=O)(=O)N2CCCCCC2)n1 ZINC000065152568 569111917 /nfs/dbraw/zinc/11/19/17/569111917.db2.gz DOFOAOAGQZCPTN-UHFFFAOYSA-N 0 0 441.351 3.000 50 0 IFAARN CCCN1CCN(C(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2=O)CC1 ZINC000065172560 569113278 /nfs/dbraw/zinc/11/32/78/569113278.db2.gz NUFQMUBTAXCMDN-UHFFFAOYSA-N 0 0 431.540 2.860 50 0 IFAARN Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C3=C2C(=O)OC3)c1 ZINC000065183414 569113821 /nfs/dbraw/zinc/11/38/21/569113821.db2.gz QSUKSYCYBRJGFH-QFIPXVFZSA-N 0 0 449.463 2.591 50 0 IFAARN COc1ccccc1CNC(=O)C1=NN(c2ccc(C)cc2)c2ncccc2S1(=O)=O ZINC000065183453 569113837 /nfs/dbraw/zinc/11/38/37/569113837.db2.gz YGMOWEKMUVZMOW-UHFFFAOYSA-N 0 0 436.493 2.954 50 0 IFAARN CCC(=O)N1CCc2cc(N3C[C@H](C(=O)NCc4ccc(F)cc4F)CC3=O)ccc21 ZINC000065195420 569115425 /nfs/dbraw/zinc/11/54/25/569115425.db2.gz VXORCGKWMDWWQS-MRXNPFEDSA-N 0 0 427.451 2.933 50 0 IFAARN COc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5oc(C)nc5c4)C3)CC2)c1 ZINC000065195675 569115539 /nfs/dbraw/zinc/11/55/39/569115539.db2.gz DVSQIBNWOXSQEX-KRWDZBQOSA-N 0 0 434.496 2.847 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4oc(C)nc4c3)C2)CC1 ZINC000065195672 569115548 /nfs/dbraw/zinc/11/55/48/569115548.db2.gz XRKOSUBKDPSJGB-QGZVFWFLSA-N 0 0 434.496 2.847 50 0 IFAARN O=C(C1CC1)N1CCc2sc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc2C1 ZINC000065196232 569115647 /nfs/dbraw/zinc/11/56/47/569115647.db2.gz WXDXFTVCPTVGAD-UHFFFAOYSA-N 0 0 449.573 2.693 50 0 IFAARN Cc1nc(-c2ccccn2)cc2nn(CC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)n21 ZINC000065196695 569115760 /nfs/dbraw/zinc/11/57/60/569115760.db2.gz WBWPQQKXBWDHJR-UHFFFAOYSA-N 0 0 442.523 2.743 50 0 IFAARN CCC(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(c4ccccc4OC)CC3)c2)nc1 ZINC000065196928 569115816 /nfs/dbraw/zinc/11/58/16/569115816.db2.gz VYQWGZCLJYKKNG-UHFFFAOYSA-N 0 0 434.500 2.587 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2-c1ccccc1 ZINC000065197099 569115858 /nfs/dbraw/zinc/11/58/58/569115858.db2.gz FJYIQLBXDXRTGM-UHFFFAOYSA-N 0 0 436.855 2.999 50 0 IFAARN CCOc1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccc(OC)cc2)cc1 ZINC000065197110 569115905 /nfs/dbraw/zinc/11/59/05/569115905.db2.gz SWQWRDALCCDVEO-UHFFFAOYSA-N 0 0 446.463 2.744 50 0 IFAARN COc1cc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccc(C)cc2)cc(OC)c1 ZINC000065197142 569115974 /nfs/dbraw/zinc/11/59/74/569115974.db2.gz VRUITPNZXANVFY-UHFFFAOYSA-N 0 0 446.463 2.662 50 0 IFAARN COc1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccc(C)cc2)cc1OC ZINC000065197141 569115993 /nfs/dbraw/zinc/11/59/93/569115993.db2.gz GVELVVLJEKODTD-UHFFFAOYSA-N 0 0 446.463 2.662 50 0 IFAARN CCN1CCN(C(=O)c2ccc(-c3nnc4ccc(NC(=O)C5CCC5)cn43)cc2)CC1 ZINC000065209865 569116550 /nfs/dbraw/zinc/11/65/50/569116550.db2.gz AKRUYHJAMWKWFQ-UHFFFAOYSA-N 0 0 432.528 2.913 50 0 IFAARN COc1ccc(NC(=O)N2CCc3c2cccc3C(=O)NCCCN2CCOCC2)cc1 ZINC000065210089 569116575 /nfs/dbraw/zinc/11/65/75/569116575.db2.gz HEXUAXUUWOPPSR-UHFFFAOYSA-N 0 0 438.528 2.742 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3cccc(F)c3)c2=O)cc1 ZINC000065212505 569116804 /nfs/dbraw/zinc/11/68/04/569116804.db2.gz DHLXGDRMFUQNSO-UHFFFAOYSA-N 0 0 443.500 2.721 50 0 IFAARN CSc1cccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)c1 ZINC000065213843 569116909 /nfs/dbraw/zinc/11/69/09/569116909.db2.gz GYVHHYMXCKECRJ-UHFFFAOYSA-N 0 0 435.571 2.630 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 ZINC000065212608 569116911 /nfs/dbraw/zinc/11/69/11/569116911.db2.gz HOFRFFUSKMUNGK-UHFFFAOYSA-N 0 0 441.509 2.913 50 0 IFAARN O=C(NCc1ccc(F)c(Cl)c1)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226691 569117978 /nfs/dbraw/zinc/11/79/78/569117978.db2.gz XTBVMYWFUIIFNZ-UHFFFAOYSA-N 0 0 433.915 2.639 50 0 IFAARN CN1CCN(c2ncncc2N2CCC(C(=O)NCc3ccc(F)cc3Cl)CC2)CC1 ZINC000065226877 569118040 /nfs/dbraw/zinc/11/80/40/569118040.db2.gz SGWQONFKMILFAS-UHFFFAOYSA-N 0 0 446.958 2.554 50 0 IFAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000036569652 569118393 /nfs/dbraw/zinc/11/83/93/569118393.db2.gz JQHKVNKETXJBOQ-XMMPIXPASA-N 0 0 428.536 2.767 50 0 IFAARN COc1ccc(C(=O)Nc2nccnc2C(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000065228619 569118395 /nfs/dbraw/zinc/11/83/95/569118395.db2.gz YKXRORLICRLZJS-UHFFFAOYSA-N 0 0 447.495 2.709 50 0 IFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1OC)C(=O)OC ZINC000036597207 569118719 /nfs/dbraw/zinc/11/87/19/569118719.db2.gz IMHMHQBFJNVXRB-IRWQIABSSA-N 0 0 430.505 2.672 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCC(C)CC5)n4)ccn3n2)cc1 ZINC000065235978 569119541 /nfs/dbraw/zinc/11/95/41/569119541.db2.gz BCWUEXKVGGRDTN-UHFFFAOYSA-N 0 0 434.500 2.835 50 0 IFAARN COc1ccc(CNC(=O)C2CCN(c3cc(N4CCSCC4)ncn3)CC2)cc1 ZINC000065237174 569119597 /nfs/dbraw/zinc/11/95/97/569119597.db2.gz HKAVHLUXCCKKTA-UHFFFAOYSA-N 0 0 427.574 2.571 50 0 IFAARN C=C1C(N2CCC(NC(=O)[C@@H]3CCOC3)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000065239243 569120192 /nfs/dbraw/zinc/12/01/92/569120192.db2.gz JZSYFVXYAMSHFA-LJQANCHMSA-N 0 0 445.585 2.900 50 0 IFAARN COc1cccc(CNC(=O)Cn2c3cccnc3n3nc(-c4ccco4)cc3c2=O)c1 ZINC000065240312 569120748 /nfs/dbraw/zinc/12/07/48/569120748.db2.gz BLXKNTCZYWNWBS-UHFFFAOYSA-N 0 0 429.436 2.629 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2c3cccnc3n3nc(-c4ccco4)cc3c2=O)cc1 ZINC000065240268 569120798 /nfs/dbraw/zinc/12/07/98/569120798.db2.gz MBUMCTFTMJBYIP-UHFFFAOYSA-N 0 0 443.419 2.730 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000036589775 569121163 /nfs/dbraw/zinc/12/11/63/569121163.db2.gz ZBBXIONGQCEYJW-QGZVFWFLSA-N 0 0 425.441 2.510 50 0 IFAARN CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2NCCc2c[nH]c3ccccc23)cc1 ZINC000036596552 569121338 /nfs/dbraw/zinc/12/13/38/569121338.db2.gz JWSAZBZGNJQFGO-FCHUYYIVSA-N 0 0 446.594 2.502 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)NCCCn2nc(C(F)(F)F)c3c2CCC3)cc1 ZINC000036615109 569122395 /nfs/dbraw/zinc/12/23/95/569122395.db2.gz MDKVMFDEGQOLCU-UHFFFAOYSA-N 0 0 446.451 2.938 50 0 IFAARN C[C@H](NC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1)c1ccccc1 ZINC000065254299 569122505 /nfs/dbraw/zinc/12/25/05/569122505.db2.gz DORQGLCHGKPPAM-INIZCTEOSA-N 0 0 425.514 2.543 50 0 IFAARN O=C(NCc1cccc(Cl)c1)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1 ZINC000065254296 569122550 /nfs/dbraw/zinc/12/25/50/569122550.db2.gz ILBUAHKHTXNFIO-UHFFFAOYSA-N 0 0 445.932 2.635 50 0 IFAARN Cc1cc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCC4)cn3)cn2)ccc1F ZINC000065254284 569122556 /nfs/dbraw/zinc/12/25/56/569122556.db2.gz FFEYRUOPVONYNY-UHFFFAOYSA-N 0 0 429.477 2.752 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3scnc3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000036612244 569123577 /nfs/dbraw/zinc/12/35/77/569123577.db2.gz DBGOFKQCEOGWRU-WBNHJWIASA-N 0 0 443.525 2.702 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)NCCCn1nc(C(F)(F)F)cc1C ZINC000036612461 569123606 /nfs/dbraw/zinc/12/36/06/569123606.db2.gz AGAYLCJRYLSPKA-UHFFFAOYSA-N 0 0 446.451 2.820 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3scnc3C)c(=O)n2[C@H]1c1ccccc1 ZINC000036612237 569123649 /nfs/dbraw/zinc/12/36/49/569123649.db2.gz JBMBMDODNYFJFY-BXBHGGAKSA-N 0 0 425.535 2.563 50 0 IFAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000036614523 569124048 /nfs/dbraw/zinc/12/40/48/569124048.db2.gz YDYOTCQUYBVYIM-CYBMUJFWSA-N 0 0 444.479 2.952 50 0 IFAARN CCC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)s1)C1CC1 ZINC000013128698 569125280 /nfs/dbraw/zinc/12/52/80/569125280.db2.gz IEAODKLEHFPMPA-MRVPVSSYSA-N 0 0 425.561 2.723 50 0 IFAARN CSCC[C@@H](C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524732389 569126808 /nfs/dbraw/zinc/12/68/08/569126808.db2.gz XWKIEHVJDKOHKX-VPKVUBIPSA-N 0 0 431.558 2.550 50 0 IFAARN COc1ccc(C(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)c(OC)n1 ZINC000065265935 569127228 /nfs/dbraw/zinc/12/72/28/569127228.db2.gz MSCPLBDYRCPTBP-XMMPIXPASA-N 0 0 437.544 2.905 50 0 IFAARN CCn1c2cc(C(=O)N3CCN(c4cccc(OC)c4)CC3)ccc2n2nccc2c1=O ZINC000065270733 569127580 /nfs/dbraw/zinc/12/75/80/569127580.db2.gz SOJMGWUVLINZQJ-UHFFFAOYSA-N 0 0 431.496 2.640 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1ccccn1 ZINC000524734550 569127756 /nfs/dbraw/zinc/12/77/56/569127756.db2.gz PYYPNJNSSBMESB-HSZRJFAPSA-N 0 0 426.476 2.945 50 0 IFAARN COc1cc2c(cc1OC)[C@H](NC(=O)CCN1C(=O)C[C@@](C)(c3ccccc3)C1=O)CC2 ZINC000524733826 569127856 /nfs/dbraw/zinc/12/78/56/569127856.db2.gz STLLMGUWLRXQDC-CLOONOSVSA-N 0 0 436.508 2.914 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1ccncc1 ZINC000524733761 569127883 /nfs/dbraw/zinc/12/78/83/569127883.db2.gz NPRHRJCZSJZSEB-HSZRJFAPSA-N 0 0 426.476 2.945 50 0 IFAARN O=C(NCCc1ccc(O)cc1)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524734862 569127886 /nfs/dbraw/zinc/12/78/86/569127886.db2.gz GFVQRNJLLIIVTF-QFIPXVFZSA-N 0 0 429.476 2.950 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@H](CCSC)n2c(=O)[nH]c3ccccc3c2=O)cc1 ZINC000524734043 569127989 /nfs/dbraw/zinc/12/79/89/569127989.db2.gz QCUODUCNQHJOPX-KRWDZBQOSA-N 0 0 427.482 2.822 50 0 IFAARN CCOc1ccccc1N1CCN(C(=O)c2ccc3c(c2)n(C)c(=O)c2ccnn23)CC1 ZINC000065270512 569128064 /nfs/dbraw/zinc/12/80/64/569128064.db2.gz DRBNPDINJUEKJP-UHFFFAOYSA-N 0 0 431.496 2.547 50 0 IFAARN CCCc1nc2cccnc2n1[C@@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000065271732 569128597 /nfs/dbraw/zinc/12/85/97/569128597.db2.gz OXXLBVKEAMCEGT-QGZVFWFLSA-N 0 0 427.530 2.978 50 0 IFAARN CC1CCN(C(=O)c2cc3c(s2)CC[C@@H](C(=O)NCCCN2CCOCC2)C3)CC1 ZINC000065272613 569129064 /nfs/dbraw/zinc/12/90/64/569129064.db2.gz ZWAIFACWKNHSNJ-GOSISDBHSA-N 0 0 433.618 2.564 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c(OC)c1 ZINC000065272820 569129194 /nfs/dbraw/zinc/12/91/94/569129194.db2.gz VRQOZPBEQRXFMZ-CQSZACIVSA-N 0 0 430.526 2.981 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2cc(C)ccc2C)CC3)CC1 ZINC000065273419 569129517 /nfs/dbraw/zinc/12/95/17/569129517.db2.gz VBABGNRBIDUYTE-SFHVURJKSA-N 0 0 426.586 2.850 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2ccc(C)cc2)CC3)CC1 ZINC000065273548 569129770 /nfs/dbraw/zinc/12/97/70/569129770.db2.gz SRMIIMIUQJYQPN-GOSISDBHSA-N 0 0 426.586 2.931 50 0 IFAARN Cc1ccc(CNC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)o1 ZINC000065273649 569129866 /nfs/dbraw/zinc/12/98/66/569129866.db2.gz MHDGBARXRCRLEN-INIZCTEOSA-N 0 0 430.574 2.770 50 0 IFAARN CC[C@@]1(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCN(C(=O)C(C)C)C1 ZINC000065292034 569130567 /nfs/dbraw/zinc/13/05/67/569130567.db2.gz YMZLAUXEFLJKDM-XMMPIXPASA-N 0 0 447.645 2.909 50 0 IFAARN CCn1c2cnccc2nc(N2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)c1=O ZINC000065292728 569130765 /nfs/dbraw/zinc/13/07/65/569130765.db2.gz VAIBVDWBBNSTDT-UHFFFAOYSA-N 0 0 447.417 2.672 50 0 IFAARN COc1ccccc1CCC(=O)N1CCN(c2nc3ccncc3n(CC(C)C)c2=O)CC1 ZINC000065292821 569130837 /nfs/dbraw/zinc/13/08/37/569130837.db2.gz PTDIKEGELVGVJD-UHFFFAOYSA-N 0 0 449.555 2.738 50 0 IFAARN COc1cccc(CCC(=O)N2CCN(c3nc4ccncc4n(CC(C)C)c3=O)CC2)c1 ZINC000065292823 569130839 /nfs/dbraw/zinc/13/08/39/569130839.db2.gz VTGVVNGEFHLBMI-UHFFFAOYSA-N 0 0 449.555 2.738 50 0 IFAARN Cc1ccc(C)c(NC(=O)Cn2ncc3c2ncnc3N2CCN(c3ccccn3)CC2)c1 ZINC000065295711 569131481 /nfs/dbraw/zinc/13/14/81/569131481.db2.gz RACGHZAHNXWLIR-UHFFFAOYSA-N 0 0 442.527 2.803 50 0 IFAARN CCc1ccc(NC(=O)Cn2ncc3c2ncnc3N2CCN(c3ccccn3)CC2)cc1 ZINC000065295687 569131497 /nfs/dbraw/zinc/13/14/97/569131497.db2.gz YQGHTQPVVQTNSL-UHFFFAOYSA-N 0 0 442.527 2.749 50 0 IFAARN Cc1cc2nn(CC(=O)Nc3ccc(F)cc3F)c(=O)n2c(Nc2ccc(F)cc2)n1 ZINC000065307828 569132576 /nfs/dbraw/zinc/13/25/76/569132576.db2.gz VJQYLVLWABUAAP-UHFFFAOYSA-N 0 0 428.374 2.999 50 0 IFAARN O=C(Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O)NCc1ccc(Cl)cc1 ZINC000065308138 569132596 /nfs/dbraw/zinc/13/25/96/569132596.db2.gz GJHVLVBUVUELKU-UHFFFAOYSA-N 0 0 426.839 2.744 50 0 IFAARN COc1cc(C(=O)Nc2cc(C(=O)N3CCC(C)CC3)cn(C)c2=O)cc(OC)c1OC ZINC000036685879 569132802 /nfs/dbraw/zinc/13/28/02/569132802.db2.gz JBLOHUGSYHOBAY-UHFFFAOYSA-N 0 0 443.500 2.536 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccc(F)cc3F)c(=O)n2c2ccsc2c1=O ZINC000065305322 569133136 /nfs/dbraw/zinc/13/31/36/569133136.db2.gz MPHCQBGPOHAFOI-UHFFFAOYSA-N 0 0 433.440 2.589 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccccc3Cl)c(=O)n2c2ccsc2c1=O ZINC000065305303 569133175 /nfs/dbraw/zinc/13/31/75/569133175.db2.gz KEFZXXXVSJTUEA-UHFFFAOYSA-N 0 0 431.905 2.965 50 0 IFAARN CCc1nnc2nc(N3CCN(C(=O)Cc4ccc(OC)cc4Cl)CC3)cc(C)n12 ZINC000065311860 569133637 /nfs/dbraw/zinc/13/36/37/569133637.db2.gz OJXUGOSZLPCQDK-UHFFFAOYSA-N 0 0 428.924 2.548 50 0 IFAARN CCCc1cc(N2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)nc2nnc(CC)n21 ZINC000065312062 569133656 /nfs/dbraw/zinc/13/36/56/569133656.db2.gz AIZROMQQGHQOMB-UHFFFAOYSA-N 0 0 426.496 2.749 50 0 IFAARN Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000065312383 569133789 /nfs/dbraw/zinc/13/37/89/569133789.db2.gz HZPMKGDFUWOROP-CQSZACIVSA-N 0 0 435.454 2.631 50 0 IFAARN COc1ccc(-n2ncc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c2C(F)(F)F)nn1 ZINC000036694624 569133834 /nfs/dbraw/zinc/13/38/34/569133834.db2.gz CILCLQAXFILJCB-VIFPVBQESA-N 0 0 448.361 2.661 50 0 IFAARN COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3snnc3C)nc2c1 ZINC000036707133 569134709 /nfs/dbraw/zinc/13/47/09/569134709.db2.gz DOBRFEXWSIXDGS-UHFFFAOYSA-N 0 0 433.559 2.834 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)NCc4ccco4)n3)cc2)CC1 ZINC000065319186 569134739 /nfs/dbraw/zinc/13/47/39/569134739.db2.gz FUKJSCSHAIKMMW-UHFFFAOYSA-N 0 0 430.486 2.680 50 0 IFAARN Cc1ccc(CNC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)no2)o1 ZINC000065319204 569134802 /nfs/dbraw/zinc/13/48/02/569134802.db2.gz VFKLGMQBGLMPDN-UHFFFAOYSA-N 0 0 444.513 2.989 50 0 IFAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)c1OC ZINC000065312936 569135038 /nfs/dbraw/zinc/13/50/38/569135038.db2.gz JGJJEOZLVFFQPX-OAHLLOKOSA-N 0 0 429.908 2.933 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc4c(Cl)cccn43)C2)c(OC)c1 ZINC000065312718 569135044 /nfs/dbraw/zinc/13/50/44/569135044.db2.gz MPUKINVAHDQMKU-OAHLLOKOSA-N 0 0 429.908 2.933 50 0 IFAARN CN(CCc1ccncc1)C(=O)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314021 569135457 /nfs/dbraw/zinc/13/54/57/569135457.db2.gz IZUHRKMPIUQURJ-JOCHJYFZSA-N 0 0 431.540 2.604 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)cc1 ZINC000065314073 569135483 /nfs/dbraw/zinc/13/54/83/569135483.db2.gz ZWMDZMQEDIAGKG-OAQYLSRUSA-N 0 0 432.524 2.833 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)CN1c2ccc(S(=O)(=O)N3CCCC3)cc2C(C)(C)C1=O ZINC000065314768 569135542 /nfs/dbraw/zinc/13/55/42/569135542.db2.gz JKFSVBVJJUGYMS-QGZVFWFLSA-N 0 0 447.601 2.886 50 0 IFAARN Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c(C)c1 ZINC000036709253 569136242 /nfs/dbraw/zinc/13/62/42/569136242.db2.gz KXMWVEIQOHNBGM-UHFFFAOYSA-N 0 0 433.516 2.568 50 0 IFAARN O=C(CNC(=O)OCc1ccccc1)N1CC[C@H](Oc2ncccc2Br)C1 ZINC000238815182 569136437 /nfs/dbraw/zinc/13/64/37/569136437.db2.gz BGZBYJPWSWMNHS-HNNXBMFYSA-N 0 0 434.290 2.750 50 0 IFAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000238962578 569138110 /nfs/dbraw/zinc/13/81/10/569138110.db2.gz YPXRHIWCRUWVMM-UHFFFAOYSA-N 0 0 439.541 2.605 50 0 IFAARN CC1(C)O[C@H]2[C@H](O1)O[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1OC(C)(C)O[C@H]21 ZINC000239297288 569138782 /nfs/dbraw/zinc/13/87/82/569138782.db2.gz DYPWYALADNLMHN-SRTKAIALSA-N 0 0 433.379 2.920 50 0 IFAARN O=C(Nc1ccc(F)c(N2CCCC2=O)c1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000065499873 569138812 /nfs/dbraw/zinc/13/88/12/569138812.db2.gz QPEVEJFTDQKJPV-MJGOQNOKSA-N 0 0 445.491 2.873 50 0 IFAARN CC(C)CNC(=O)[C@H]1CSCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000065578535 569139843 /nfs/dbraw/zinc/13/98/43/569139843.db2.gz VIUPDTAMCAJPCK-CYBMUJFWSA-N 0 0 438.600 2.673 50 0 IFAARN CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1)c1ccc(C)cc1 ZINC000037215277 569140877 /nfs/dbraw/zinc/14/08/77/569140877.db2.gz IHZQEUTYVHXITF-QHCPKHFHSA-N 0 0 436.556 2.654 50 0 IFAARN O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000170593276 569141195 /nfs/dbraw/zinc/14/11/95/569141195.db2.gz HIKKGFIMHHXXDQ-NRFANRHFSA-N 0 0 436.537 2.869 50 0 IFAARN C[C@H](C(=O)N1CCc2ccccc21)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000170593427 569141259 /nfs/dbraw/zinc/14/12/59/569141259.db2.gz UIQYFFPKDCLTGM-PXDATVDWSA-N 0 0 446.595 2.773 50 0 IFAARN C[C@@H](C(=O)N1CCc2ccccc21)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000170593428 569141310 /nfs/dbraw/zinc/14/13/10/569141310.db2.gz UIQYFFPKDCLTGM-OFVILXPXSA-N 0 0 446.595 2.773 50 0 IFAARN COc1cc(CCC(=O)N2CCOC[C@@H]2c2nc(C)no2)ccc1OCC(F)(F)F ZINC000170594337 569141439 /nfs/dbraw/zinc/14/14/39/569141439.db2.gz BYOCEWGCONFUKI-CQSZACIVSA-N 0 0 429.395 2.860 50 0 IFAARN Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)n2nc(C(F)(F)F)nc2n1 ZINC000170596616 569141810 /nfs/dbraw/zinc/14/18/10/569141810.db2.gz RHPVWXHIIHEOCM-CQSZACIVSA-N 0 0 432.406 2.719 50 0 IFAARN Cc1sc2nc(CCC(=O)N3CCN(c4cccc(F)c4)C(=O)C3)[nH]c(=O)c2c1C ZINC000170596254 569141903 /nfs/dbraw/zinc/14/19/03/569141903.db2.gz STQJUWQDXBDBJR-UHFFFAOYSA-N 0 0 428.489 2.549 50 0 IFAARN COC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000170597361 569142100 /nfs/dbraw/zinc/14/21/00/569142100.db2.gz YCJCADYRKJCOOY-GOEBONIOSA-N 0 0 429.439 2.693 50 0 IFAARN COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000170597359 569142178 /nfs/dbraw/zinc/14/21/78/569142178.db2.gz YCJCADYRKJCOOY-GDBMZVCRSA-N 0 0 429.439 2.693 50 0 IFAARN Cc1cc(C)n(-c2ccc(CNC(=O)CC[C@@H](O)c3ccc4c(c3)CCC(=O)N4)cn2)n1 ZINC000170597805 569142250 /nfs/dbraw/zinc/14/22/50/569142250.db2.gz UQBOSJISFKTIEC-OAQYLSRUSA-N 0 0 433.512 2.899 50 0 IFAARN O=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)N1CCO[C@]2(CCOC2)C1 ZINC000170597566 569142285 /nfs/dbraw/zinc/14/22/85/569142285.db2.gz RKPMVCORLJITEW-HXUWFJFHSA-N 0 0 436.917 2.772 50 0 IFAARN CN1C[C@H](CNC(=O)CN2C(=O)COc3cc(Br)ccc32)Cc2ccccc21 ZINC000170602413 569143251 /nfs/dbraw/zinc/14/32/51/569143251.db2.gz FIJLXKUYQLMJMM-AWEZNQCLSA-N 0 0 444.329 2.599 50 0 IFAARN C[C@@H](O)CN1CCN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc32)CC1 ZINC000170602434 569143292 /nfs/dbraw/zinc/14/32/92/569143292.db2.gz CQECTQIYTNHNNJ-QGZVFWFLSA-N 0 0 433.508 2.812 50 0 IFAARN C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2ccc([Si](C)(C)C)cc2)C1=O ZINC000170613011 569146091 /nfs/dbraw/zinc/14/60/91/569146091.db2.gz LAUSPKKYSRWRNS-OAQYLSRUSA-N 0 0 430.602 2.603 50 0 IFAARN O=C(CNc1c(Br)cccc1Br)N1CCC2(CC1)OCCO2 ZINC000170616338 569146571 /nfs/dbraw/zinc/14/65/71/569146571.db2.gz VEEKYTPNWMQJQB-UHFFFAOYSA-N 0 0 434.128 2.989 50 0 IFAARN CCn1c(COC(=O)c2coc(CC3CC3)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000170615830 569146605 /nfs/dbraw/zinc/14/66/05/569146605.db2.gz WHEZRLKTWVPYOC-UHFFFAOYSA-N 0 0 432.502 2.604 50 0 IFAARN C[C@H](c1ccccc1)N(c1ccccc1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000170617399 569147379 /nfs/dbraw/zinc/14/73/79/569147379.db2.gz ONKWQRJUDCDTJJ-OAHLLOKOSA-N 0 0 436.493 2.578 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3nc(C)c(C)s3)C2=O)cc1OC ZINC000170625548 569148466 /nfs/dbraw/zinc/14/84/66/569148466.db2.gz UKODLASTLTXOLP-HNNXBMFYSA-N 0 0 446.529 2.659 50 0 IFAARN COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)Nc2nnc(CC(C)C)s2)C1=O ZINC000170625737 569148510 /nfs/dbraw/zinc/14/85/10/569148510.db2.gz ZKOBMODOJIGWKI-AWEZNQCLSA-N 0 0 431.518 2.585 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC3CCCCCCC3)C2=O)cc1OC ZINC000170625390 569148515 /nfs/dbraw/zinc/14/85/15/569148515.db2.gz DJFPEHHOGPSEFA-SFHVURJKSA-N 0 0 431.533 2.786 50 0 IFAARN COc1ccc(-n2nc(C)c([C@@]3(O)c4cc(Br)ccc4NC3=O)c2N)cc1 ZINC000170625890 569148524 /nfs/dbraw/zinc/14/85/24/569148524.db2.gz JXRWCLAFVRMWOA-IBGZPJMESA-N 0 0 429.274 2.722 50 0 IFAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000009756641 569148993 /nfs/dbraw/zinc/14/89/93/569148993.db2.gz LYSALGXVDYAZSB-UHFFFAOYSA-N 0 0 443.466 2.546 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OS(=O)(=O)c1ccc(C)c(C)c1 ZINC000009761596 569149108 /nfs/dbraw/zinc/14/91/08/569149108.db2.gz ZSJNFUHEZQVOMN-UHFFFAOYSA-N 0 0 446.456 2.933 50 0 IFAARN Cc1nc2c3ccccc3nc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCO4)n2n1 ZINC000013230565 569149233 /nfs/dbraw/zinc/14/92/33/569149233.db2.gz IHDCEQQUEYCTDJ-UHFFFAOYSA-N 0 0 436.453 2.755 50 0 IFAARN O=C(Nc1ccc(-n2nnc(C(=O)N3CCCC3)n2)cc1)c1ccccc1Br ZINC000071001552 569149253 /nfs/dbraw/zinc/14/92/53/569149253.db2.gz RCOHEHQWSHTUBL-UHFFFAOYSA-N 0 0 441.289 2.913 50 0 IFAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009869625 569149297 /nfs/dbraw/zinc/14/92/97/569149297.db2.gz PGMFHVJAMSSLSM-UHFFFAOYSA-N 0 0 436.493 2.686 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccc(OC)cc2OC)C1=O ZINC000009882712 569149764 /nfs/dbraw/zinc/14/97/64/569149764.db2.gz LRBGPOJYSCKGAM-QHCPKHFHSA-N 0 0 425.485 2.520 50 0 IFAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000009883180 569149887 /nfs/dbraw/zinc/14/98/87/569149887.db2.gz BTZIVNZTASBIRG-HNNXBMFYSA-N 0 0 428.470 2.563 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCn3nc(C)cc3C)CC2)cc1 ZINC000009884328 569150263 /nfs/dbraw/zinc/15/02/63/569150263.db2.gz MUPOOIFCCNNNSY-UHFFFAOYSA-N 0 0 447.605 2.559 50 0 IFAARN CCOC(=O)C1CCN(C(=O)COC(=O)c2cccc(OCc3c(C)noc3C)c2)CC1 ZINC000009884280 569150328 /nfs/dbraw/zinc/15/03/28/569150328.db2.gz OKGTWNFABGPIEF-UHFFFAOYSA-N 0 0 444.484 2.829 50 0 IFAARN Cc1ccc(C2=NN(C(=O)Cn3nnn(-c4ccccc4)c3=O)[C@@H](c3ccco3)C2)cc1 ZINC000009910445 569150453 /nfs/dbraw/zinc/15/04/53/569150453.db2.gz FXJMUXINCMFWBJ-HXUWFJFHSA-N 0 0 428.452 2.708 50 0 IFAARN COc1ccc2c(ccn2CCNC(=O)c2cc(Br)ccc2-n2cnnn2)c1 ZINC000071284639 569150767 /nfs/dbraw/zinc/15/07/67/569150767.db2.gz RSDGVWWYNNLJIS-UHFFFAOYSA-N 0 0 441.289 2.818 50 0 IFAARN COc1ccc(C2(CNC(=O)Cn3nc(-c4ccccc4)ccc3=O)CCOCC2)cc1 ZINC000071284304 569150776 /nfs/dbraw/zinc/15/07/76/569150776.db2.gz BFCMXSYMDLTBPH-UHFFFAOYSA-N 0 0 433.508 2.784 50 0 IFAARN COc1ccc(OC)c(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000071286715 569150908 /nfs/dbraw/zinc/15/09/08/569150908.db2.gz LQYUFGINFZQKEF-UHFFFAOYSA-N 0 0 432.908 2.828 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000009955834 569151308 /nfs/dbraw/zinc/15/13/08/569151308.db2.gz RUGAZAJAZXKDKO-MRXNPFEDSA-N 0 0 442.541 2.758 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1C ZINC000010026559 569151674 /nfs/dbraw/zinc/15/16/74/569151674.db2.gz PUYQIEPBLCRYKA-INIZCTEOSA-N 0 0 443.500 2.759 50 0 IFAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 ZINC000010029216 569151955 /nfs/dbraw/zinc/15/19/55/569151955.db2.gz CLFZJUJBWCLTIS-LBPRGKRZSA-N 0 0 436.555 2.783 50 0 IFAARN CCOC(CNC(=O)C(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2)OCC ZINC000010220917 569153027 /nfs/dbraw/zinc/15/30/27/569153027.db2.gz VFQSZWQRXPQZRG-UHFFFAOYSA-N 0 0 432.546 2.690 50 0 IFAARN Cc1ccc2nc(NC(=O)CSc3c(C)cnc4c3c(=O)n(C)c(=O)n4C)sc2c1 ZINC000010216374 569153127 /nfs/dbraw/zinc/15/31/27/569153127.db2.gz QYTZCDDIFOEGFK-UHFFFAOYSA-N 0 0 441.538 2.590 50 0 IFAARN C[C@H](NC(=O)CN1CCC(n2c3ccccc3[nH]c2=O)CC1)c1ccc2c(c1)OCCO2 ZINC000010216198 569153159 /nfs/dbraw/zinc/15/31/59/569153159.db2.gz RNUBCLZHTFHVJW-INIZCTEOSA-N 0 0 436.512 2.615 50 0 IFAARN CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(C[C@H]3CCCO3)c3c2CCC3)c1 ZINC000010255366 569154097 /nfs/dbraw/zinc/15/40/97/569154097.db2.gz MOGAYAFRSYMTLL-QGZVFWFLSA-N 0 0 427.526 2.844 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nccn2C)c(OC)c1 ZINC000010254696 569154185 /nfs/dbraw/zinc/15/41/85/569154185.db2.gz YCNBWZSHFRBETG-UHFFFAOYSA-N 0 0 444.513 2.539 50 0 IFAARN Cc1cc(C)c(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)c(=O)[nH]1 ZINC000010458423 569154761 /nfs/dbraw/zinc/15/47/61/569154761.db2.gz AZZWEMCFDMDDKS-GASCZTMLSA-N 0 0 431.558 2.588 50 0 IFAARN Cc1cc(C)c(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c(=O)[nH]1 ZINC000010458425 569154778 /nfs/dbraw/zinc/15/47/78/569154778.db2.gz AZZWEMCFDMDDKS-GJZGRUSLSA-N 0 0 431.558 2.588 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000013294964 569154878 /nfs/dbraw/zinc/15/48/78/569154878.db2.gz UIYOOOLBNCOVHL-IBGZPJMESA-N 0 0 433.505 2.759 50 0 IFAARN CCc1nnc(SCC(=O)Nc2ccc(Br)cn2)n1C[C@@H]1CCCO1 ZINC000013322492 569154998 /nfs/dbraw/zinc/15/49/98/569154998.db2.gz WSXXPZYPHVRMLO-LBPRGKRZSA-N 0 0 426.340 2.908 50 0 IFAARN O=S(=O)(c1ccc(NC(=S)NC[C@H]2CCCO2)cc1)N1CCc2ccccc2C1 ZINC000013323884 569155003 /nfs/dbraw/zinc/15/50/03/569155003.db2.gz GBSLNZRHURAEPT-LJQANCHMSA-N 0 0 431.583 2.899 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@H]2CCCO2)CC3)cc1 ZINC000013696654 569156687 /nfs/dbraw/zinc/15/66/87/569156687.db2.gz OHCDCJQOLIPPFJ-HXUWFJFHSA-N 0 0 429.498 2.514 50 0 IFAARN CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1 ZINC000013809113 569157178 /nfs/dbraw/zinc/15/71/78/569157178.db2.gz QVEVFDQEJVJJCJ-UHFFFAOYSA-N 0 0 432.524 2.653 50 0 IFAARN O=S(=O)(Cc1ccccc1)NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1 ZINC000013951660 569157410 /nfs/dbraw/zinc/15/74/10/569157410.db2.gz MSHRJRCSKJZFHT-UHFFFAOYSA-N 0 0 443.916 2.943 50 0 IFAARN O=S(=O)(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1cccs1 ZINC000013951638 569157465 /nfs/dbraw/zinc/15/74/65/569157465.db2.gz IARZQAIBTQMQEJ-UHFFFAOYSA-N 0 0 435.918 2.864 50 0 IFAARN O=C(COC(=O)c1sccc1-n1cccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000014187081 569158090 /nfs/dbraw/zinc/15/80/90/569158090.db2.gz DQZMUEVAAFWRCH-UHFFFAOYSA-N 0 0 429.523 2.742 50 0 IFAARN COc1cc(C2=N/C(=C\c3ccc(N4CCOCC4)s3)C(=O)O2)cc(OC)c1OC ZINC000014242065 569158224 /nfs/dbraw/zinc/15/82/24/569158224.db2.gz MUYGUYLNCXCHPK-QINSGFPZSA-N 0 0 430.482 2.955 50 0 IFAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1 ZINC000014405340 569158991 /nfs/dbraw/zinc/15/89/91/569158991.db2.gz WGYZIOKYVRMCLT-IBGZPJMESA-N 0 0 428.489 2.519 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000014524881 569159259 /nfs/dbraw/zinc/15/92/59/569159259.db2.gz CWZNJDGQERWRED-LJQANCHMSA-N 0 0 445.516 2.743 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000014574511 569159305 /nfs/dbraw/zinc/15/93/05/569159305.db2.gz CFUAPFMZRLYIIQ-OKILXGFUSA-N 0 0 435.406 2.790 50 0 IFAARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000014583366 569159308 /nfs/dbraw/zinc/15/93/08/569159308.db2.gz DPVDVYNFJBOSPJ-KBPBESRZSA-N 0 0 427.482 2.695 50 0 IFAARN CC(C)(C(=O)OCC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@H](O)c1cccc(O)c1 ZINC000089621101 569159939 /nfs/dbraw/zinc/15/99/39/569159939.db2.gz OVVJSTGTGZKZOW-HXUWFJFHSA-N 0 0 426.469 2.526 50 0 IFAARN Cc1ccc(NC(=O)CSCC(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)cc1 ZINC000089635007 569160132 /nfs/dbraw/zinc/16/01/32/569160132.db2.gz OOIISAXNXFANTM-OAQYLSRUSA-N 0 0 437.525 2.886 50 0 IFAARN Cc1ccc(NC(=O)N2CCN(CC(=O)NC(=O)NC3CCCCC3)CC2)cc1Cl ZINC000089643346 569160417 /nfs/dbraw/zinc/16/04/17/569160417.db2.gz RIDDIXKPHPLXIS-UHFFFAOYSA-N 0 0 435.956 2.956 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(OC4CCC4)c3)CC2)cc1C ZINC000089643261 569160425 /nfs/dbraw/zinc/16/04/25/569160425.db2.gz NPGGQPFQDNWVMM-UHFFFAOYSA-N 0 0 429.542 2.776 50 0 IFAARN Cc1cccc(NC(=O)CSCC(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1 ZINC000089672796 569161103 /nfs/dbraw/zinc/16/11/03/569161103.db2.gz SAYZTILPRFANKF-XMSQKQJNSA-N 0 0 429.517 2.894 50 0 IFAARN NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC000089768278 569162569 /nfs/dbraw/zinc/16/25/69/569162569.db2.gz JUYIEPNBQSSMCH-HOCLYGCPSA-N 0 0 441.981 2.679 50 0 IFAARN COC(=O)c1cc(-c2ccc(OC)c(C)c2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000016850595 569164732 /nfs/dbraw/zinc/16/47/32/569164732.db2.gz LVRZNYLDQBKGGN-OAHLLOKOSA-N 0 0 429.498 2.870 50 0 IFAARN COc1cc(OC)c(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)cc1Cl ZINC000016850912 569164822 /nfs/dbraw/zinc/16/48/22/569164822.db2.gz KZUQXNXSPRWSPM-NSHDSACASA-N 0 0 439.921 2.654 50 0 IFAARN O=C(NCC1([C@@H](O)c2ccccc2)CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000089825924 569165152 /nfs/dbraw/zinc/16/51/52/569165152.db2.gz HPAOSJQSWJRRTP-SFTDATJTSA-N 0 0 428.554 2.860 50 0 IFAARN O=C(NCC1([C@H](O)c2ccccc2)CC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000089825931 569165229 /nfs/dbraw/zinc/16/52/29/569165229.db2.gz HPAOSJQSWJRRTP-NHCUHLMSSA-N 0 0 428.554 2.860 50 0 IFAARN C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O ZINC000016890851 569165605 /nfs/dbraw/zinc/16/56/05/569165605.db2.gz GXMXZFHDALWQHQ-INIZCTEOSA-N 0 0 425.460 2.706 50 0 IFAARN O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cnc2ccccn2c1=O ZINC000089878847 569166528 /nfs/dbraw/zinc/16/65/28/569166528.db2.gz TZWPKBBNLCZYJV-UHFFFAOYSA-N 0 0 428.286 2.893 50 0 IFAARN O=C(CCCN1C(=O)CNC1=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC000089878693 569166584 /nfs/dbraw/zinc/16/65/84/569166584.db2.gz JHWHDLYBHHIUSC-UHFFFAOYSA-N 0 0 425.876 2.627 50 0 IFAARN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc2n1CCCC2 ZINC000089913822 569167334 /nfs/dbraw/zinc/16/73/34/569167334.db2.gz OIKLKPULFPDSBX-QGZVFWFLSA-N 0 0 445.589 2.599 50 0 IFAARN COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc1 ZINC000089914321 569167484 /nfs/dbraw/zinc/16/74/84/569167484.db2.gz GTHBBDNETIZNGN-RUZDIDTESA-N 0 0 447.491 2.940 50 0 IFAARN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)nc2O)cc1 ZINC000016954612 569167655 /nfs/dbraw/zinc/16/76/55/569167655.db2.gz NZNGZNDGYDHRNS-UHFFFAOYSA-N 0 0 449.485 2.894 50 0 IFAARN COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(OC)cc4)n3n2)cc1 ZINC000016954905 569167674 /nfs/dbraw/zinc/16/76/74/569167674.db2.gz SATZAZKJVKCHBC-UHFFFAOYSA-N 0 0 444.538 2.996 50 0 IFAARN COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2F)c1 ZINC000016960686 569168204 /nfs/dbraw/zinc/16/82/04/569168204.db2.gz ZIIAPBCTKUUYOI-UHFFFAOYSA-N 0 0 439.472 2.675 50 0 IFAARN COc1cccc(-n2nnc3c2ncn(CC(=O)Nc2cccc(C(F)(F)F)c2)c3=O)c1 ZINC000016960699 569168210 /nfs/dbraw/zinc/16/82/10/569168210.db2.gz ZGGRACACXWPLSW-UHFFFAOYSA-N 0 0 444.373 2.643 50 0 IFAARN C[C@H]1CSc2ccccc2N(S(=O)(=O)c2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000089941248 569168407 /nfs/dbraw/zinc/16/84/07/569168407.db2.gz WTPWQBGTXOIFBJ-LLVKDONJSA-N 0 0 432.976 2.925 50 0 IFAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)CC(=O)N3CCOCC3)cc12 ZINC000014700980 569168573 /nfs/dbraw/zinc/16/85/73/569168573.db2.gz SSEJUWCZTWDQHX-UHFFFAOYSA-N 0 0 430.505 2.524 50 0 IFAARN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cccc(SCCC(=O)OC)c1 ZINC000089960378 569169075 /nfs/dbraw/zinc/16/90/75/569169075.db2.gz KBFYTMAPFFPXOS-KRWDZBQOSA-N 0 0 428.576 2.875 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cc(C(=O)NC3CC3)c12 ZINC000016992727 569169695 /nfs/dbraw/zinc/16/96/95/569169695.db2.gz JIOXUJUAVZRTOZ-MRXNPFEDSA-N 0 0 428.489 2.798 50 0 IFAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c(C)c1 ZINC000017026038 569171093 /nfs/dbraw/zinc/17/10/93/569171093.db2.gz YUFCDXPBJIMZSF-UHFFFAOYSA-N 0 0 442.497 2.627 50 0 IFAARN COc1ccc(CC(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000017050845 569171766 /nfs/dbraw/zinc/17/17/66/569171766.db2.gz VRXLEYDZVSOSFI-UHFFFAOYSA-N 0 0 444.553 2.586 50 0 IFAARN Cc1ccc(-n2nnc3c2ncn(CC(=O)Nc2cccc(C(F)(F)F)c2)c3=O)cc1 ZINC000017052351 569172047 /nfs/dbraw/zinc/17/20/47/569172047.db2.gz GSQZSAYZQZLURN-UHFFFAOYSA-N 0 0 428.374 2.943 50 0 IFAARN O=C(NCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000017178639 569175620 /nfs/dbraw/zinc/17/56/20/569175620.db2.gz TVHNVTZEYWXZGG-GOSISDBHSA-N 0 0 437.418 2.713 50 0 IFAARN O=C(NCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000017178641 569175679 /nfs/dbraw/zinc/17/56/79/569175679.db2.gz TVHNVTZEYWXZGG-SFHVURJKSA-N 0 0 437.418 2.713 50 0 IFAARN O=C(CNC(=O)c1cccs1)NCC(=O)OCc1ccc(C(=O)c2ccccc2)cc1 ZINC000003613209 569177842 /nfs/dbraw/zinc/17/78/42/569177842.db2.gz FFWJSNZJDVUOCU-UHFFFAOYSA-N 0 0 436.489 2.569 50 0 IFAARN CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002093871 569179059 /nfs/dbraw/zinc/17/90/59/569179059.db2.gz YTGPCJHCAKRFAW-HKBOAZHASA-N 0 0 436.556 2.505 50 0 IFAARN COc1c2c(cc(CCN(C)C(=S)NCc3ccc4c(c3)OCO4)c1C=O)OCO2 ZINC000002107637 569181335 /nfs/dbraw/zinc/18/13/35/569181335.db2.gz HUXMRWHIVMIILD-UHFFFAOYSA-N 0 0 430.482 2.514 50 0 IFAARN CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]21 ZINC000252427013 569183303 /nfs/dbraw/zinc/18/33/03/569183303.db2.gz RBWWJLZVOQGLQV-HYANYTLRSA-N 0 0 442.464 2.906 50 0 IFAARN Cc1cccc(Cn2[nH]ccc2=NC(=O)CSc2nnnn2-c2c(C)cccc2C)c1 ZINC000252475319 569185636 /nfs/dbraw/zinc/18/56/36/569185636.db2.gz YHKLTFQNQINIMN-UHFFFAOYSA-N 0 0 433.541 2.985 50 0 IFAARN COC(=O)[C@]12CN(C(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)C[C@H]1COCC2 ZINC000252482466 569186468 /nfs/dbraw/zinc/18/64/68/569186468.db2.gz DGIHMTVQNFJEJN-HXPMCKFVSA-N 0 0 441.381 2.682 50 0 IFAARN CCN(CC)C(=O)COc1ccc(N2C(=O)[C@@H](CCSC)NC2=S)cc1Cl ZINC000027223488 569186551 /nfs/dbraw/zinc/18/65/51/569186551.db2.gz DOJBDFIDTOPGDC-CQSZACIVSA-N 0 0 429.995 2.930 50 0 IFAARN CC[C@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000252484645 569186556 /nfs/dbraw/zinc/18/65/56/569186556.db2.gz GCNJGALYGGLTRY-FDQGKXFDSA-N 0 0 439.965 2.700 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc(-c3cc[nH]n3)s2)CC1)N1CCCc2ccccc21 ZINC000252487680 569186759 /nfs/dbraw/zinc/18/67/59/569186759.db2.gz HZMRYESIQNHIAB-UHFFFAOYSA-N 0 0 435.553 2.875 50 0 IFAARN CCC(=O)NCCCCCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 ZINC000002153764 569187462 /nfs/dbraw/zinc/18/74/62/569187462.db2.gz FHQZGRFRWINRIQ-UHFFFAOYSA-N 0 0 428.533 2.982 50 0 IFAARN COC(=O)[C@H](NC(=O)c1cn(-c2cc(OC)ccc2OC)c(=O)c2ccccc12)C(C)C ZINC000252491314 569187578 /nfs/dbraw/zinc/18/75/78/569187578.db2.gz LLWVNPOZDPPSNC-OAQYLSRUSA-N 0 0 438.480 2.935 50 0 IFAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCn1cc(-c2nc(-c3cccnc3)no2)nn1 ZINC000252498983 569188081 /nfs/dbraw/zinc/18/80/81/569188081.db2.gz RSIAUNZATFBDLG-ZDUSSCGKSA-N 0 0 439.863 2.627 50 0 IFAARN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000252515762 569189211 /nfs/dbraw/zinc/18/92/11/569189211.db2.gz NFLMBAJPCIVHSK-CEMLEFRQSA-N 0 0 427.589 2.900 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1OC ZINC000252536368 569189867 /nfs/dbraw/zinc/18/98/67/569189867.db2.gz IHACQMFLMVUFHN-GOSISDBHSA-N 0 0 436.468 2.881 50 0 IFAARN O=C(c1cccnc1O[C@@H]1CCSC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000252537714 569190041 /nfs/dbraw/zinc/19/00/41/569190041.db2.gz MBZSIVMTRHOQGK-QGZVFWFLSA-N 0 0 427.526 2.653 50 0 IFAARN COc1ccc(N2C(=O)N[C@H](CC(=O)NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 ZINC000252552858 569191036 /nfs/dbraw/zinc/19/10/36/569191036.db2.gz VBRBXVHSCBCRFL-HXUWFJFHSA-N 0 0 436.468 2.563 50 0 IFAARN C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000252586291 569191511 /nfs/dbraw/zinc/19/15/11/569191511.db2.gz OUBGTUUQYNXPCG-QYZOEREBSA-N 0 0 439.597 2.994 50 0 IFAARN C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000252586290 569191535 /nfs/dbraw/zinc/19/15/35/569191535.db2.gz OUBGTUUQYNXPCG-CEXWTWQISA-N 0 0 439.597 2.994 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(F)cc3)c2=O)cc1OC ZINC000037399448 569194565 /nfs/dbraw/zinc/19/45/65/569194565.db2.gz TXFVYUTUGIMWFD-UHFFFAOYSA-N 0 0 449.438 2.947 50 0 IFAARN O=C(/N=c1\sccn1Cc1ccccc1C(=O)N1CCOCC1)c1ccccc1F ZINC000037428358 569196004 /nfs/dbraw/zinc/19/60/04/569196004.db2.gz VOQXMIBJBODZJC-GYHWCHFESA-N 0 0 425.485 2.951 50 0 IFAARN CCOC(=O)C1CCN(C(=O)Cn2cc(C)s/c2=N\C(=O)c2cccc(C)c2)CC1 ZINC000037435900 569196117 /nfs/dbraw/zinc/19/61/17/569196117.db2.gz FAPXAJCKEFYSFC-FCQUAONHSA-N 0 0 429.542 2.709 50 0 IFAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1OCC ZINC000037458140 569197299 /nfs/dbraw/zinc/19/72/99/569197299.db2.gz BHJAGHPBQBNVMX-HOTGVXAUSA-N 0 0 427.567 2.577 50 0 IFAARN C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000037470488 569197411 /nfs/dbraw/zinc/19/74/11/569197411.db2.gz AIEOCZJJBPNJSP-SFHVURJKSA-N 0 0 427.570 2.533 50 0 IFAARN C[C@H](C(=O)NC1CC1)N1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21 ZINC000037512216 569198041 /nfs/dbraw/zinc/19/80/41/569198041.db2.gz GAOBDMZKKNGRQC-CYBMUJFWSA-N 0 0 428.872 2.994 50 0 IFAARN COCCCNC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccccc3)cc21 ZINC000037512664 569198064 /nfs/dbraw/zinc/19/80/64/569198064.db2.gz MOGYTKDYVWSVCY-UHFFFAOYSA-N 0 0 440.496 2.607 50 0 IFAARN CCCCNC(=O)N1C[C@H](C(=O)N2CCN(C(C)=O)CC2)CC[C@@H]1c1ccc(F)cc1 ZINC000037546180 569200096 /nfs/dbraw/zinc/20/00/96/569200096.db2.gz HQABTSSRMNNXSF-TZIWHRDSSA-N 0 0 432.540 2.779 50 0 IFAARN COC(=O)c1cccc(Cn2cnc3c2c(=O)n(C(C)C)c(=O)n3-c2cccc(F)c2)c1 ZINC000037557624 569200702 /nfs/dbraw/zinc/20/07/02/569200702.db2.gz QCFBZHPRFYGXKQ-UHFFFAOYSA-N 0 0 436.443 2.904 50 0 IFAARN CC1CCN(c2nc(N3CCOCC3)nc3c2CN(C(=O)c2cccs2)CC3)CC1 ZINC000037580565 569202020 /nfs/dbraw/zinc/20/20/20/569202020.db2.gz YPMHPFNFIILKDB-UHFFFAOYSA-N 0 0 427.574 2.810 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(C)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000252675754 569210272 /nfs/dbraw/zinc/21/02/72/569210272.db2.gz UYQOSASERNJBGQ-IBGZPJMESA-N 0 0 441.578 2.815 50 0 IFAARN CCOC(=O)c1sc(NC(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)c(C(=O)OCC)c1C ZINC000252679784 569210628 /nfs/dbraw/zinc/21/06/28/569210628.db2.gz REUNKDMUNRGHEQ-GZSHQJSSSA-N 0 0 430.548 2.783 50 0 IFAARN CCOc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc(OC)cc2OC)n2nnnc2N3)cc1 ZINC000010295945 569217094 /nfs/dbraw/zinc/21/70/94/569217094.db2.gz DYMKBVOEDJCSPN-FQEVSTJZSA-N 0 0 447.455 2.946 50 0 IFAARN COc1cc2c(cc1OC)[C@H](C(=O)NC[C@H]1CCCO1)[C@H](c1cccs1)N(C)C2=O ZINC000253387509 569264102 /nfs/dbraw/zinc/26/41/02/569264102.db2.gz ZJTZPYVIAJJTFU-CWVNLOTRSA-N 0 0 430.526 2.971 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1CCCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000253387422 569264109 /nfs/dbraw/zinc/26/41/09/569264109.db2.gz LAGGBRBITMPUMC-NHCUHLMSSA-N 0 0 446.595 2.950 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCCc3ccc(O)cc3)CC2)cc1 ZINC000253388003 569264271 /nfs/dbraw/zinc/26/42/71/569264271.db2.gz GKTQTOWFIRFCQV-WGSAOQKQSA-N 0 0 446.569 2.844 50 0 IFAARN CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000253392723 569264391 /nfs/dbraw/zinc/26/43/91/569264391.db2.gz YXRPIOJLXYRXIS-DEOSSOPVSA-N 0 0 439.560 2.619 50 0 IFAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)/C=C/c2ccccc2Cl)CC1 ZINC000253395950 569264560 /nfs/dbraw/zinc/26/45/60/569264560.db2.gz CUHDHUYXQOBWQG-MDZDMXLPSA-N 0 0 436.965 2.627 50 0 IFAARN O=C(c1cnc(O[C@H]2CCOC2)c(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000253404829 569265076 /nfs/dbraw/zinc/26/50/76/569265076.db2.gz RKSWSBIJQAMDGL-KRWDZBQOSA-N 0 0 445.903 2.589 50 0 IFAARN COc1ccc([C@H](CNC(=O)C(=O)N2CCC(CO)CC2)c2c[nH]c3ccccc32)cc1 ZINC000253407846 569265481 /nfs/dbraw/zinc/26/54/81/569265481.db2.gz NOQHBGLWTYWLHD-NRFANRHFSA-N 0 0 435.524 2.656 50 0 IFAARN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 ZINC000253426611 569267345 /nfs/dbraw/zinc/26/73/45/569267345.db2.gz ZIJRMTQFIQEMRK-DOMZBBRYSA-N 0 0 440.422 2.759 50 0 IFAARN C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)NC1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000253433154 569269292 /nfs/dbraw/zinc/26/92/92/569269292.db2.gz SRZAXRNLYUEWLQ-VDGAXYAQSA-N 0 0 428.552 2.616 50 0 IFAARN COCCCNC(=O)c1c(N)n(-c2cc(OC)ccc2OC)c2nc3ccccc3nc21 ZINC000002301478 569271438 /nfs/dbraw/zinc/27/14/38/569271438.db2.gz GEKRVSDDYOTGTE-UHFFFAOYSA-N 0 0 435.484 2.939 50 0 IFAARN NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000027551449 569272025 /nfs/dbraw/zinc/27/20/25/569272025.db2.gz DCWHYNRPFPHBEU-NRFANRHFSA-N 0 0 445.541 2.803 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN23)cc1 ZINC000253486960 569283067 /nfs/dbraw/zinc/28/30/67/569283067.db2.gz BNQWFBYQJUWALC-HAGHYFMRSA-N 0 0 435.867 2.946 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)c2cnc3ccc(S(=O)(=O)N4CCOCC4)cc3c2O)[C@H]1C ZINC000253531024 569283917 /nfs/dbraw/zinc/28/39/17/569283917.db2.gz LJHFIKNUNWDBPX-ZRGWGRIASA-N 0 0 447.557 2.516 50 0 IFAARN COCCNc1nc2c(c(=O)[nH]1)C[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N2 ZINC000253537587 569284165 /nfs/dbraw/zinc/28/41/65/569284165.db2.gz ROABUNGYJKTIIV-SECBINFHSA-N 0 0 440.287 2.687 50 0 IFAARN O=C(C[C@@H]1Cc2c(=O)[nH]c(=O)n(Cc3ccccc3)c2NC1=O)Nc1ccc(Cl)cc1 ZINC000253537550 569284175 /nfs/dbraw/zinc/28/41/75/569284175.db2.gz OQYOVKACCNJONT-AWEZNQCLSA-N 0 0 438.871 2.790 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000252478932 569287944 /nfs/dbraw/zinc/28/79/44/569287944.db2.gz AXODCLCWOALDCX-PTPDTQQLSA-N 0 0 439.434 2.667 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3cccc4ccccc43)C2=O)CC1 ZINC000252494306 569288056 /nfs/dbraw/zinc/28/80/56/569288056.db2.gz NRPJPARDMLBYHF-SFHVURJKSA-N 0 0 438.484 2.550 50 0 IFAARN Cc1ccc(OCCSc2ncn(-c3nc(N(C)C)nc(N4CCCC4)n3)n2)cc1 ZINC000027738932 569295712 /nfs/dbraw/zinc/29/57/12/569295712.db2.gz RBBJWFAQPZNQTA-UHFFFAOYSA-N 0 0 426.550 2.598 50 0 IFAARN COc1cc(C(=O)N(CCc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000011990894 569303454 /nfs/dbraw/zinc/30/34/54/569303454.db2.gz BAWFLTSCAHMDFF-SFHVURJKSA-N 0 0 433.526 2.584 50 0 IFAARN CC[C@H](CO)NS(=O)(=O)c1cc(-c2nn3c(C)nnc3c3ccccc32)ccc1C ZINC000002439700 569303978 /nfs/dbraw/zinc/30/39/78/569303978.db2.gz OUFNXYJKLRSHCG-MRXNPFEDSA-N 0 0 425.514 2.611 50 0 IFAARN CC[C@@H](CO)NS(=O)(=O)c1cc(-c2nn3c(C)nnc3c3ccccc32)ccc1C ZINC000002439699 569304049 /nfs/dbraw/zinc/30/40/49/569304049.db2.gz OUFNXYJKLRSHCG-INIZCTEOSA-N 0 0 425.514 2.611 50 0 IFAARN Cc1ccc([C@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1C ZINC000012988123 569305932 /nfs/dbraw/zinc/30/59/32/569305932.db2.gz IQGLOYLHZDAIFT-OAQYLSRUSA-N 0 0 428.492 2.768 50 0 IFAARN C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)CC(=O)Nc1ccc(Cl)cc1 ZINC000012992672 569305973 /nfs/dbraw/zinc/30/59/73/569305973.db2.gz MFBZTXWNMAIUQQ-GOSISDBHSA-N 0 0 428.964 2.943 50 0 IFAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000013010400 569306897 /nfs/dbraw/zinc/30/68/97/569306897.db2.gz IDHOIGOPCGCIJL-ALCCZGGFSA-N 0 0 440.529 2.928 50 0 IFAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000013014356 569307009 /nfs/dbraw/zinc/30/70/09/569307009.db2.gz WOFFDGBYCGMCLK-UHFFFAOYSA-N 0 0 431.489 2.899 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3cc(F)ccc3OC)CC2)cc1 ZINC000013014379 569307018 /nfs/dbraw/zinc/30/70/18/569307018.db2.gz BLGDFCNNFXVRSE-NRFANRHFSA-N 0 0 436.549 2.827 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3cc(F)ccc3OC)CC2)cc1 ZINC000013014377 569307045 /nfs/dbraw/zinc/30/70/45/569307045.db2.gz BLGDFCNNFXVRSE-OAQYLSRUSA-N 0 0 436.549 2.827 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1N1C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=S ZINC000013015975 569307130 /nfs/dbraw/zinc/30/71/30/569307130.db2.gz VQQBBLWIPNSOPK-GOSISDBHSA-N 0 0 442.566 2.559 50 0 IFAARN C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1cccc(Cl)c1 ZINC000013031191 569307458 /nfs/dbraw/zinc/30/74/58/569307458.db2.gz NHEZDVOQPGEDLW-HNNXBMFYSA-N 0 0 439.940 2.663 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)cccc3CC)CC2)cc1 ZINC000013032027 569307496 /nfs/dbraw/zinc/30/74/96/569307496.db2.gz RDVVYYLKQWPOLS-UHFFFAOYSA-N 0 0 445.585 2.901 50 0 IFAARN C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)c1ccc(F)cc1 ZINC000013032022 569307500 /nfs/dbraw/zinc/30/75/00/569307500.db2.gz GNLAQGCGVGCPAO-HNNXBMFYSA-N 0 0 439.940 2.663 50 0 IFAARN Cn1c2ccccc2s/c1=N/C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013037158 569307610 /nfs/dbraw/zinc/30/76/10/569307610.db2.gz ASXAGHFNGQAVGH-LSDHQDQOSA-N 0 0 433.530 2.907 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)Cc1ccc(OC(F)F)cc1 ZINC000013038295 569307699 /nfs/dbraw/zinc/30/76/99/569307699.db2.gz BSPWCBQPCZUDEB-UHFFFAOYSA-N 0 0 441.500 2.917 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000013038976 569307825 /nfs/dbraw/zinc/30/78/25/569307825.db2.gz VPVLHYXDFLTLDX-SFHVURJKSA-N 0 0 447.576 2.962 50 0 IFAARN CC[C@@H](C)N(C(=O)COC(=O)c1oc2ccccc2c1COC)[C@@H]1CCS(=O)(=O)C1 ZINC000013039043 569307848 /nfs/dbraw/zinc/30/78/48/569307848.db2.gz SOYNFASOKJSPHE-HUUCEWRRSA-N 0 0 437.514 2.550 50 0 IFAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)COc2cc(C)cc(C)c2)c(=O)[nH]c1=O ZINC000013040490 569308058 /nfs/dbraw/zinc/30/80/58/569308058.db2.gz BHYYIMCHSRQBQO-UHFFFAOYSA-N 0 0 440.500 2.741 50 0 IFAARN C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccccc1Cl ZINC000013041136 569308092 /nfs/dbraw/zinc/30/80/92/569308092.db2.gz YTWZJGJUBFEYSK-HNNXBMFYSA-N 0 0 439.940 2.663 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000013042234 569308294 /nfs/dbraw/zinc/30/82/94/569308294.db2.gz IMSNANWWIUYIAY-CQSZACIVSA-N 0 0 427.979 2.585 50 0 IFAARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000013059375 569308554 /nfs/dbraw/zinc/30/85/54/569308554.db2.gz ZHWNLLZUDUQLGW-ARKBFRDHSA-N 0 0 442.537 2.622 50 0 IFAARN CCOc1ccc(CN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013063514 569308762 /nfs/dbraw/zinc/30/87/62/569308762.db2.gz KJYJVLLCLRBHFF-UHFFFAOYSA-N 0 0 431.558 2.940 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3ncn(-c4ccccc4C)c3=S)CC2)cc1 ZINC000013070352 569308863 /nfs/dbraw/zinc/30/88/63/569308863.db2.gz ZSDMXMDDFQULMM-UHFFFAOYSA-N 0 0 443.598 2.984 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c1 ZINC000013096575 569309541 /nfs/dbraw/zinc/30/95/41/569309541.db2.gz APUHWSNGWKEISR-MRXNPFEDSA-N 0 0 437.345 2.783 50 0 IFAARN CCn1c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccs1 ZINC000013120445 569311040 /nfs/dbraw/zinc/31/10/40/569311040.db2.gz WPQZZJRZCVTHQK-CQSZACIVSA-N 0 0 442.632 2.790 50 0 IFAARN CCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000013163029 569312415 /nfs/dbraw/zinc/31/24/15/569312415.db2.gz TZLKHVXDEHWBJF-MRCUWXFGSA-N 0 0 447.538 2.501 50 0 IFAARN CCCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000013353090 569313346 /nfs/dbraw/zinc/31/33/46/569313346.db2.gz SZNNJJWUENNYJU-UHFFFAOYSA-N 0 0 429.542 2.866 50 0 IFAARN CC(=O)c1c(C)cc(C)c(CN2C(=O)N[C@@](C)(c3ccc(S(N)(=O)=O)cc3)C2=O)c1C ZINC000328593455 569317289 /nfs/dbraw/zinc/31/72/89/569317289.db2.gz VJWRXLDWASRILD-QFIPXVFZSA-N 0 0 443.525 2.633 50 0 IFAARN CC(C)[C@@H](Sc1nccn1Cc1ccccn1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000078808597 569319134 /nfs/dbraw/zinc/31/91/34/569319134.db2.gz GXWYMBWQSGEHHT-LJQANCHMSA-N 0 0 437.573 2.582 50 0 IFAARN Cc1nnc(CN2CCN([C@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)[nH]1 ZINC000078822118 569319299 /nfs/dbraw/zinc/31/92/99/569319299.db2.gz NGYLGCREPGMJNT-LLVKDONJSA-N 0 0 430.862 2.930 50 0 IFAARN O=C(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCCc2ccccc21 ZINC000078815254 569319308 /nfs/dbraw/zinc/31/93/08/569319308.db2.gz QYRBYQTXVZGUOE-NRFANRHFSA-N 0 0 428.492 2.916 50 0 IFAARN O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cn2cc(Br)cn2)o1 ZINC000078820782 569319312 /nfs/dbraw/zinc/31/93/12/569319312.db2.gz GMFNQKTXYFVWIC-CQSZACIVSA-N 0 0 436.287 2.545 50 0 IFAARN CCOc1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)OC)ccc1OCC(=O)N1CCCCC1 ZINC000078869321 569319598 /nfs/dbraw/zinc/31/95/98/569319598.db2.gz SYMOHWGCVKWTJE-QZTJIDSGSA-N 0 0 432.517 2.548 50 0 IFAARN CCOc1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)OC)ccc1OCC(=O)N1CCCCC1 ZINC000078869323 569319616 /nfs/dbraw/zinc/31/96/16/569319616.db2.gz SYMOHWGCVKWTJE-MSOLQXFVSA-N 0 0 432.517 2.548 50 0 IFAARN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)CCn1cnc2ccccc2c1=O ZINC000078877566 569319872 /nfs/dbraw/zinc/31/98/72/569319872.db2.gz VUOOHZJIBBIEAB-SJLPKXTDSA-N 0 0 428.533 2.986 50 0 IFAARN O=C(Nc1cccc(OCCn2cncn2)c1)c1cc(N2CCNC2=O)ccc1Cl ZINC000078878108 569319902 /nfs/dbraw/zinc/31/99/02/569319902.db2.gz OEEQMKXCPNYBDV-UHFFFAOYSA-N 0 0 426.864 2.792 50 0 IFAARN COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000078933526 569320346 /nfs/dbraw/zinc/32/03/46/569320346.db2.gz OBZRYFWZUZPJEQ-YLJYHZDGSA-N 0 0 446.569 2.856 50 0 IFAARN CCO[C@H](C)c1noc(CN2CCCN([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)n1 ZINC000078950339 569320524 /nfs/dbraw/zinc/32/05/24/569320524.db2.gz HGCNSMNQQXXFPJ-RBUKOAKNSA-N 0 0 429.565 2.722 50 0 IFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc2c(cc1=O)CN(C(=O)OCc1ccccc1)CC2 ZINC000078965395 569320639 /nfs/dbraw/zinc/32/06/39/569320639.db2.gz KDUCHSBYTHXGIL-QZTJIDSGSA-N 0 0 438.528 2.728 50 0 IFAARN O=C1c2ccccc2C(=O)N1CCCc1nnn(CCOc2ccc(C(F)(F)F)cc2)n1 ZINC000078991394 569321513 /nfs/dbraw/zinc/32/15/13/569321513.db2.gz FJLVRLGLNWYJDB-UHFFFAOYSA-N 0 0 445.401 3.000 50 0 IFAARN CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccccc1Br ZINC000079016348 569322136 /nfs/dbraw/zinc/32/21/36/569322136.db2.gz SBGWAJKJIJAHNY-UHFFFAOYSA-N 0 0 430.299 2.840 50 0 IFAARN Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(N)(=O)=O ZINC000019620454 569323351 /nfs/dbraw/zinc/32/33/51/569323351.db2.gz QFJGCLYPVDXDPC-UHFFFAOYSA-N 0 0 433.574 2.694 50 0 IFAARN Cc1cc(C)n(-c2ccc([C@H](C)NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)n1 ZINC000079062664 569324266 /nfs/dbraw/zinc/32/42/66/569324266.db2.gz GTWSGWSKGIGBTE-INIZCTEOSA-N 0 0 433.555 2.932 50 0 IFAARN C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000079098077 569325349 /nfs/dbraw/zinc/32/53/49/569325349.db2.gz NYFWEWZFVZQWTI-LLVKDONJSA-N 0 0 438.315 2.527 50 0 IFAARN Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1CN1CCN(Cc2ccccc2)CC1 ZINC000019793577 569329424 /nfs/dbraw/zinc/32/94/24/569329424.db2.gz LULZEWZRKWZSRD-UHFFFAOYSA-N 0 0 432.568 2.991 50 0 IFAARN Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019793667 569329427 /nfs/dbraw/zinc/32/94/27/569329427.db2.gz GUNDOCKFAJIUFV-UHFFFAOYSA-N 0 0 434.540 2.949 50 0 IFAARN CC(C)Oc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 ZINC000019819841 569329919 /nfs/dbraw/zinc/32/99/19/569329919.db2.gz OXTYGPCILFCQEC-HXUWFJFHSA-N 0 0 448.541 2.554 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000079488130 569331089 /nfs/dbraw/zinc/33/10/89/569331089.db2.gz QRKIWNIYWOLTMB-OAHLLOKOSA-N 0 0 431.543 2.554 50 0 IFAARN COc1ccc(CN2CC(=O)N(CCCN3CCCC3=O)C[C@@H](OC)C2)c2ccccc12 ZINC000019939603 569332185 /nfs/dbraw/zinc/33/21/85/569332185.db2.gz GHFWHBNFJOMARG-FQEVSTJZSA-N 0 0 439.556 2.520 50 0 IFAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(C)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104394 569334177 /nfs/dbraw/zinc/33/41/77/569334177.db2.gz LGYXRJGYTPHVFD-LADGPHEKSA-N 0 0 437.540 2.962 50 0 IFAARN Cc1cc(OC2CCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)CC2)nc(C)n1 ZINC000390826895 569353855 /nfs/dbraw/zinc/35/38/55/569353855.db2.gz QVKYWBOQKGAPNB-UHFFFAOYSA-N 0 0 445.470 2.684 50 0 IFAARN O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000390828573 569354020 /nfs/dbraw/zinc/35/40/20/569354020.db2.gz BFNIHJAFBKHXMF-QGZVFWFLSA-N 0 0 439.493 2.923 50 0 IFAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 ZINC000390830797 569354294 /nfs/dbraw/zinc/35/42/94/569354294.db2.gz NMQXWZJALRATTH-MRXNPFEDSA-N 0 0 431.510 2.789 50 0 IFAARN O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390831664 569354451 /nfs/dbraw/zinc/35/44/51/569354451.db2.gz TYXVYQVPLPRVHC-YWZLYKJASA-N 0 0 448.491 2.706 50 0 IFAARN CCOc1ccc(/C=C/C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1 ZINC000020178443 569354659 /nfs/dbraw/zinc/35/46/59/569354659.db2.gz JWTCHJNPUMGSGC-JXMROGBWSA-N 0 0 436.512 2.764 50 0 IFAARN COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl ZINC000020234807 569357256 /nfs/dbraw/zinc/35/72/56/569357256.db2.gz UOVAFLOQESFMQK-UHFFFAOYSA-N 0 0 437.905 2.540 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N3C[C@H](C)C[C@H](C)C3)ccc21 ZINC000020232868 569357116 /nfs/dbraw/zinc/35/71/16/569357116.db2.gz JRYKPEPSCYIGDP-FVJLSDCUSA-N 0 0 449.617 2.793 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)N(C)Cc3ccccc3)C(C)C)ccc21 ZINC000020231844 569357122 /nfs/dbraw/zinc/35/71/22/569357122.db2.gz JQAFUOCCXXUNCD-JOCHJYFZSA-N 0 0 443.569 2.557 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N3CCCCCC3)ccc21 ZINC000020232652 569357133 /nfs/dbraw/zinc/35/71/33/569357133.db2.gz DXTFXFSWMYYOSF-FQEVSTJZSA-N 0 0 435.590 2.691 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(C)c(F)c3)ccc21 ZINC000020234659 569357217 /nfs/dbraw/zinc/35/72/17/569357217.db2.gz KNUPUWFBPQEYLD-UHFFFAOYSA-N 0 0 433.505 2.740 50 0 IFAARN COc1ccc(-c2nc(CSCC(=O)NCCCN3CCOCC3)c(C)o2)cc1OC ZINC000020241090 569357890 /nfs/dbraw/zinc/35/78/90/569357890.db2.gz MDRWXVUDRGBZLE-UHFFFAOYSA-N 0 0 449.573 2.739 50 0 IFAARN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281443 569358754 /nfs/dbraw/zinc/35/87/54/569358754.db2.gz XZKWJFQXRHNRAW-OAHLLOKOSA-N 0 0 432.527 2.800 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)C)cc1C ZINC000020284968 569359083 /nfs/dbraw/zinc/35/90/83/569359083.db2.gz KQPUVYWJJYMJRX-IBGZPJMESA-N 0 0 431.514 2.690 50 0 IFAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccnc2)N1CCN1CCOCC1 ZINC000020308157 569359446 /nfs/dbraw/zinc/35/94/46/569359446.db2.gz IYUSYRRHKAZMBJ-IBGZPJMESA-N 0 0 425.872 2.719 50 0 IFAARN COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020308205 569359487 /nfs/dbraw/zinc/35/94/87/569359487.db2.gz DIOKKQYCIXAFOX-JOCHJYFZSA-N 0 0 434.492 2.987 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000020328238 569360585 /nfs/dbraw/zinc/36/05/85/569360585.db2.gz HELGQTJVUKEAIE-GOSISDBHSA-N 0 0 434.901 2.985 50 0 IFAARN COc1ccccc1CN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)CC1 ZINC000095348998 569361637 /nfs/dbraw/zinc/36/16/37/569361637.db2.gz NCAKQPCMCZNBEU-UHFFFAOYSA-N 0 0 433.911 2.952 50 0 IFAARN O=C(CN1CCN(Cc2cccc3cccnc32)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000095356531 569362122 /nfs/dbraw/zinc/36/21/22/569362122.db2.gz FEINJHGLNAJBMO-JOCHJYFZSA-N 0 0 443.595 2.995 50 0 IFAARN Brc1ccc(Cc2noc([C@H]3CCCN3c3ccc4nnnn4n3)n2)cc1 ZINC000095394831 569363544 /nfs/dbraw/zinc/36/35/44/569363544.db2.gz ZAZOMLMQOCAUSV-CYBMUJFWSA-N 0 0 427.266 2.597 50 0 IFAARN COc1cc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000095409243 569365173 /nfs/dbraw/zinc/36/51/73/569365173.db2.gz AWSFXPLDXHJPLR-HXUWFJFHSA-N 0 0 448.947 2.693 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3cc(Cl)nc(C4CC4)n3)CC2)cc1 ZINC000095453240 569368047 /nfs/dbraw/zinc/36/80/47/569368047.db2.gz NCGBZYIMABRFAG-UHFFFAOYSA-N 0 0 435.937 2.510 50 0 IFAARN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000095458132 569369038 /nfs/dbraw/zinc/36/90/38/569369038.db2.gz HPAGTDHZHSJOPE-LHSJRXKWSA-N 0 0 436.505 2.589 50 0 IFAARN COCC1(C)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000095459625 569369477 /nfs/dbraw/zinc/36/94/77/569369477.db2.gz RYNGZVKIUHXJMG-UHFFFAOYSA-N 0 0 434.602 2.851 50 0 IFAARN COc1cccc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000095462023 569370033 /nfs/dbraw/zinc/37/00/33/569370033.db2.gz UXBCDFOHCFWTSB-SVMVAKDDSA-N 0 0 434.558 2.585 50 0 IFAARN CCN(CC)c1nc(O)c(CC(=O)Nc2ccc(I)cc2)s1 ZINC000028757008 569420146 /nfs/dbraw/zinc/42/01/46/569420146.db2.gz GCQBJVIWDMZSQB-GFCCVEGCSA-N 0 0 431.299 2.960 50 0 IFAARN COc1cc(-c2nc(CC(=O)N[C@@H](CO)CCSC)cs2)cc(OC)c1OC ZINC000095471319 569371869 /nfs/dbraw/zinc/37/18/69/569371869.db2.gz DJQBIAKEXODWDD-CYBMUJFWSA-N 0 0 426.560 2.609 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc(-c4ccccn4)cs3)C2=O)cc1 ZINC000095474551 569372624 /nfs/dbraw/zinc/37/26/24/569372624.db2.gz OSGZZXJTEBNOTH-MRXNPFEDSA-N 0 0 437.481 2.663 50 0 IFAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000095475483 569372726 /nfs/dbraw/zinc/37/27/26/569372726.db2.gz NYQXSYKQQRFHML-GFCCVEGCSA-N 0 0 425.420 2.661 50 0 IFAARN CC(C)Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc43)C2)[nH]1 ZINC000095476921 569373244 /nfs/dbraw/zinc/37/32/44/569373244.db2.gz SBWXNMOXOZFVOC-JTQLQIEISA-N 0 0 446.309 2.634 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)Cc2nn(CC(C)C)c(=O)c3ccccc23)n1 ZINC000095478294 569373461 /nfs/dbraw/zinc/37/34/61/569373461.db2.gz HSEWLUJCFXYXOM-UHFFFAOYSA-N 0 0 428.514 2.796 50 0 IFAARN C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1nnc2ccccn21 ZINC000095478576 569373552 /nfs/dbraw/zinc/37/35/52/569373552.db2.gz GPJWAARQWQDIRL-CYBMUJFWSA-N 0 0 433.921 2.804 50 0 IFAARN Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CCNC(=O)CSc1nnnn1C ZINC000095482040 569374168 /nfs/dbraw/zinc/37/41/68/569374168.db2.gz RIXRUILOPIXLOQ-UHFFFAOYSA-N 0 0 430.868 2.619 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@H](C)C(=O)N3CCCCC3)CC2)cc1 ZINC000095482656 569374438 /nfs/dbraw/zinc/37/44/38/569374438.db2.gz CWZXEKCVSLOCHL-HDYDNRTBSA-N 0 0 449.617 2.597 50 0 IFAARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1cc2c(cc1Br)OCCO2 ZINC000095946813 569376258 /nfs/dbraw/zinc/37/62/58/569376258.db2.gz AUOBKIZKFHTORJ-UHFFFAOYSA-N 0 0 448.317 2.687 50 0 IFAARN Cn1ncc2c1ncnc2N1CCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000095949725 569376655 /nfs/dbraw/zinc/37/66/55/569376655.db2.gz WEAWEMLKKARRSU-NDEPHWFRSA-N 0 0 439.372 2.600 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)[C@@H](C)O)cc1 ZINC000095951863 569376670 /nfs/dbraw/zinc/37/66/70/569376670.db2.gz YIVYELVXCKKTMQ-DYESRHJHSA-N 0 0 432.586 2.979 50 0 IFAARN CN1CCc2nc3ccccc3c(C(=O)NCc3ccccc3CN3CCOCC3)c2C1 ZINC000095956732 569376850 /nfs/dbraw/zinc/37/68/50/569376850.db2.gz UAZYCHRDCSDYRX-UHFFFAOYSA-N 0 0 430.552 2.985 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000095958137 569376997 /nfs/dbraw/zinc/37/69/97/569376997.db2.gz VTKKWYCAKJQARE-MRXNPFEDSA-N 0 0 436.965 2.685 50 0 IFAARN COCc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1OC ZINC000095965976 569377330 /nfs/dbraw/zinc/37/73/30/569377330.db2.gz GNHLVGPOEOVTEJ-OAHLLOKOSA-N 0 0 425.485 2.678 50 0 IFAARN CCOC(=O)[C@H]1CC[C@H](NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)C1 ZINC000095966974 569377383 /nfs/dbraw/zinc/37/73/83/569377383.db2.gz DAQFZFVIPLOPEJ-GJZGRUSLSA-N 0 0 435.498 2.724 50 0 IFAARN CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](CO)c2cccc(Br)c2)c1 ZINC000095983355 569377966 /nfs/dbraw/zinc/37/79/66/569377966.db2.gz RISCOOJURKLOBM-QGZVFWFLSA-N 0 0 441.347 2.519 50 0 IFAARN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(Br)c1 ZINC000095995710 569378620 /nfs/dbraw/zinc/37/86/20/569378620.db2.gz FOBNVRVOFUOFDF-UHFFFAOYSA-N 0 0 443.703 2.690 50 0 IFAARN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000095997692 569379023 /nfs/dbraw/zinc/37/90/23/569379023.db2.gz FMXVLKCUFAATLU-IAGOWNOFSA-N 0 0 425.470 2.559 50 0 IFAARN CO[C@@H]1CCN(c2cc(C(F)(F)F)nc3ncnn32)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096005721 569379370 /nfs/dbraw/zinc/37/93/70/569379370.db2.gz LPDJPVGLTUFRRF-VXGBXAGGSA-N 0 0 430.431 2.652 50 0 IFAARN O=C(NCc1ccnc(NC(=O)c2cccc3c2OCCO3)c1)c1cccc2c1OCCO2 ZINC000096012007 569380029 /nfs/dbraw/zinc/38/00/29/569380029.db2.gz VODKAZXDMDXYCJ-UHFFFAOYSA-N 0 0 447.447 2.806 50 0 IFAARN COc1cc(C2=N/C(=C/c3cc(OC)c4c(c3)OCCO4)C(=O)O2)cc(OC)c1OC ZINC000096019417 569380350 /nfs/dbraw/zinc/38/03/50/569380350.db2.gz JZVLYITZHJWCCX-VGOFMYFVSA-N 0 0 427.409 2.837 50 0 IFAARN Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000096098360 569381539 /nfs/dbraw/zinc/38/15/39/569381539.db2.gz XFSAQXNNXZGMCY-UHFFFAOYSA-N 0 0 444.481 2.784 50 0 IFAARN COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)cc1 ZINC000096099638 569381679 /nfs/dbraw/zinc/38/16/79/569381679.db2.gz UDWVLQDBNMQGBD-UHFFFAOYSA-N 0 0 437.539 2.525 50 0 IFAARN Cn1cnnc1S(=O)(=O)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000096104188 569382139 /nfs/dbraw/zinc/38/21/39/569382139.db2.gz PQWRZUVQJIOAJI-UHFFFAOYSA-N 0 0 438.509 2.518 50 0 IFAARN O=C([C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000096105245 569382213 /nfs/dbraw/zinc/38/22/13/569382213.db2.gz KOYICMSQQIHUCY-OAQYLSRUSA-N 0 0 431.544 2.755 50 0 IFAARN O=C([C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000096105246 569382267 /nfs/dbraw/zinc/38/22/67/569382267.db2.gz KOYICMSQQIHUCY-NRFANRHFSA-N 0 0 431.544 2.755 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)c1 ZINC000096105401 569382420 /nfs/dbraw/zinc/38/24/20/569382420.db2.gz VGSHBKBZYLLPJA-UHFFFAOYSA-N 0 0 441.459 2.570 50 0 IFAARN O=C(COc1ccc(F)cc1)N1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000096105566 569382427 /nfs/dbraw/zinc/38/24/27/569382427.db2.gz APRGJTWQQRCRFN-UHFFFAOYSA-N 0 0 445.878 2.971 50 0 IFAARN CSCC[C@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nnc2ccccn21 ZINC000096116665 569383815 /nfs/dbraw/zinc/38/38/15/569383815.db2.gz CBDRAMUUKFKLTG-SFHVURJKSA-N 0 0 434.525 2.564 50 0 IFAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)cc(OC)c1OC ZINC000096117133 569383897 /nfs/dbraw/zinc/38/38/97/569383897.db2.gz QHLDQBQXEHCYCJ-SFHVURJKSA-N 0 0 435.502 2.741 50 0 IFAARN O=C(CN1c2cccnc2Oc2ccccc2C1=O)N1CCN(Cc2ccncc2)CC1 ZINC000096118878 569384560 /nfs/dbraw/zinc/38/45/60/569384560.db2.gz BNBALHVKHGGEGY-UHFFFAOYSA-N 0 0 429.480 2.574 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1 ZINC000096120231 569384939 /nfs/dbraw/zinc/38/49/39/569384939.db2.gz ZHMGZARUYWJWNC-UHFFFAOYSA-N 0 0 434.514 2.900 50 0 IFAARN COc1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc1F ZINC000096121517 569385063 /nfs/dbraw/zinc/38/50/63/569385063.db2.gz RAUIECNFTKRLRL-UHFFFAOYSA-N 0 0 430.505 2.950 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)cc2C2CC2)cc1 ZINC000096121751 569385117 /nfs/dbraw/zinc/38/51/17/569385117.db2.gz VKDHGMUJYBMGPT-UHFFFAOYSA-N 0 0 426.498 2.588 50 0 IFAARN COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)cc1 ZINC000096121912 569385124 /nfs/dbraw/zinc/38/51/24/569385124.db2.gz QIJUCNDJRPKALB-UHFFFAOYSA-N 0 0 435.445 2.561 50 0 IFAARN COc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1OC ZINC000096126920 569385746 /nfs/dbraw/zinc/38/57/46/569385746.db2.gz DCFRMWMLSMFAJU-IBGZPJMESA-N 0 0 437.496 2.686 50 0 IFAARN CC(C)Cn1c(CCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 ZINC000096221544 569386890 /nfs/dbraw/zinc/38/68/90/569386890.db2.gz PMHYXBYZYVTLMI-FQEVSTJZSA-N 0 0 447.539 2.882 50 0 IFAARN CSCC[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000096221447 569386930 /nfs/dbraw/zinc/38/69/30/569386930.db2.gz CMBBQQLZOLKERP-ROUUACIJSA-N 0 0 437.525 2.614 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCO[C@H](c2ccccc2)C1 ZINC000096231235 569387432 /nfs/dbraw/zinc/38/74/32/569387432.db2.gz KVSHUPBYHDXQIB-PMACEKPBSA-N 0 0 425.460 2.626 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000096231236 569387488 /nfs/dbraw/zinc/38/74/88/569387488.db2.gz KVSHUPBYHDXQIB-VQTJNVASSA-N 0 0 425.460 2.626 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000096231364 569387607 /nfs/dbraw/zinc/38/76/07/569387607.db2.gz RQLZGPRGKSTWSN-KXBFYZLASA-N 0 0 429.546 2.863 50 0 IFAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccccc3Cl)CC2)c1C ZINC000096236023 569387893 /nfs/dbraw/zinc/38/78/93/569387893.db2.gz GTZXZEQNVQYFBD-MDZDMXLPSA-N 0 0 436.965 2.720 50 0 IFAARN CC(C)NC(=O)[C@@H]1COC2(CCN(C(=O)CC(C)(C)C)CC2)N1C(=O)c1ccccc1 ZINC000096274468 569388107 /nfs/dbraw/zinc/38/81/07/569388107.db2.gz ZFHXHKSYCGTBEB-IBGZPJMESA-N 0 0 429.561 2.807 50 0 IFAARN Cc1cc([C@@H]2C[C@@H](C(=O)NN3CCOCC3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000096281567 569390030 /nfs/dbraw/zinc/39/00/30/569390030.db2.gz YYXFZSMJDCVHNL-NHCUHLMSSA-N 0 0 425.504 2.743 50 0 IFAARN CCS(=O)(=O)N1CCN(c2nc(C3CC3)nc(COC)c2Cc2cccc(C)c2)CC1 ZINC000096316818 569392897 /nfs/dbraw/zinc/39/28/97/569392897.db2.gz XFPOTPYVCZTCJY-UHFFFAOYSA-N 0 0 444.601 2.871 50 0 IFAARN CC[C@@H](C(=O)NCCOC)n1c2ccc(C)cc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000096318370 569393838 /nfs/dbraw/zinc/39/38/38/569393838.db2.gz NRXJSHGTWONRKM-SFHVURJKSA-N 0 0 447.894 2.967 50 0 IFAARN CCCn1c2ccc(-c3noc([C@H](NC(=O)c4ccco4)C(C)C)n3)cc2[nH]c(=O)c1=O ZINC000096321512 569394084 /nfs/dbraw/zinc/39/40/84/569394084.db2.gz POCBCBUADJNOPT-QGZVFWFLSA-N 0 0 437.456 2.870 50 0 IFAARN O=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)Nc1ccccc1C(F)(F)F ZINC000096321809 569394177 /nfs/dbraw/zinc/39/41/77/569394177.db2.gz LONLPLNLXUIOCC-UHFFFAOYSA-N 0 0 437.399 2.734 50 0 IFAARN CN(C)C(=O)c1csc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c1 ZINC000096321861 569394293 /nfs/dbraw/zinc/39/42/93/569394293.db2.gz DGKLFWHRIFUARN-UHFFFAOYSA-N 0 0 441.619 2.690 50 0 IFAARN Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C2CC2)n1 ZINC000096322162 569394384 /nfs/dbraw/zinc/39/43/84/569394384.db2.gz KEMIZWKRGGRPMY-UHFFFAOYSA-N 0 0 440.481 2.690 50 0 IFAARN O=c1oc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2n1Cc1noc(C2CC2)n1 ZINC000096322156 569394401 /nfs/dbraw/zinc/39/44/01/569394401.db2.gz OFWVMGYSGSYDPP-UHFFFAOYSA-N 0 0 444.444 2.521 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1nc2c3cc(-c4ccccc4)nn3ccn2c1=O ZINC000096322476 569394579 /nfs/dbraw/zinc/39/45/79/569394579.db2.gz SLXGDLWGBDKPJW-UHFFFAOYSA-N 0 0 428.452 2.766 50 0 IFAARN CCOc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(F)cc5)nn4ccn3c2=O)cc1 ZINC000096322497 569394669 /nfs/dbraw/zinc/39/46/69/569394669.db2.gz VPOQPTUKXBSCTE-UHFFFAOYSA-N 0 0 446.442 2.987 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2nc3c4cc(-c5ccc(F)cc5)nn4ccn3c2=O)c1 ZINC000096322500 569394692 /nfs/dbraw/zinc/39/46/92/569394692.db2.gz BJWZFLOWFNDIOW-UHFFFAOYSA-N 0 0 444.426 2.791 50 0 IFAARN O=C(Cn1nc2c3cc(-c4ccc(F)cc4)nn3ccn2c1=O)Nc1cc(F)ccc1F ZINC000096322507 569394697 /nfs/dbraw/zinc/39/46/97/569394697.db2.gz GQWNJGZLILBOIO-UHFFFAOYSA-N 0 0 438.369 2.867 50 0 IFAARN Cc1ccc(-c2cc3c4nn(CC(=O)NCCc5ccccc5)c(=O)n4ccn3n2)cc1C ZINC000096322544 569394726 /nfs/dbraw/zinc/39/47/26/569394726.db2.gz SHTDIHSNMKEXBQ-UHFFFAOYSA-N 0 0 440.507 2.786 50 0 IFAARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCCC2)c1 ZINC000096323989 569395615 /nfs/dbraw/zinc/39/56/15/569395615.db2.gz VUTKOHOTGWCAKK-UHFFFAOYSA-N 0 0 431.539 2.795 50 0 IFAARN O=C(c1ccc(Br)cc1)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000096324214 569395721 /nfs/dbraw/zinc/39/57/21/569395721.db2.gz IGSHNTYWQLACHJ-UHFFFAOYSA-N 0 0 439.313 2.957 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)cc(OC)c1 ZINC000096324734 569396189 /nfs/dbraw/zinc/39/61/89/569396189.db2.gz IVEPJTUBOYQRGR-MRXNPFEDSA-N 0 0 435.484 2.980 50 0 IFAARN CC(C)(C)NC(=O)NC1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000096333282 569396538 /nfs/dbraw/zinc/39/65/38/569396538.db2.gz AXZBYIUQRIBNRY-UHFFFAOYSA-N 0 0 434.544 2.906 50 0 IFAARN Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5CCC[C@@H](C)C5)nc34)n2)c1 ZINC000096340648 569396765 /nfs/dbraw/zinc/39/67/65/569396765.db2.gz WLEZFFWMVDZNSK-MRXNPFEDSA-N 0 0 432.484 2.780 50 0 IFAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4cn(C)n(-c5ccccc5)c4=O)sc3nc12 ZINC000096347321 569397211 /nfs/dbraw/zinc/39/72/11/569397211.db2.gz LFNRTNCHRHFPBW-UHFFFAOYSA-N 0 0 431.477 2.959 50 0 IFAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CC2)CC1 ZINC000096357155 569397438 /nfs/dbraw/zinc/39/74/38/569397438.db2.gz KYJRUHUYJPRMTK-UHFFFAOYSA-N 0 0 436.965 2.822 50 0 IFAARN O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000096358584 569397523 /nfs/dbraw/zinc/39/75/23/569397523.db2.gz HEPMPSTYFQCYSZ-UHFFFAOYSA-N 0 0 438.871 2.577 50 0 IFAARN CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000096374750 569398166 /nfs/dbraw/zinc/39/81/66/569398166.db2.gz NPQLWMMDJAYGQY-UHFFFAOYSA-N 0 0 430.411 2.735 50 0 IFAARN COc1cc(CNC(=O)Cn2c3cccnc3n(-c3ccc(F)cc3)c2=O)cc(OC)c1 ZINC000096385832 569398288 /nfs/dbraw/zinc/39/82/88/569398288.db2.gz AGDJICRSRYACOO-UHFFFAOYSA-N 0 0 436.443 2.660 50 0 IFAARN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cccc(Br)c3)C2=O)cc1 ZINC000096396185 569399031 /nfs/dbraw/zinc/39/90/31/569399031.db2.gz BOVVEECYYLNNJJ-MRXNPFEDSA-N 0 0 425.304 2.542 50 0 IFAARN COc1cccc(CCC(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)c1 ZINC000096396992 569399365 /nfs/dbraw/zinc/39/93/65/569399365.db2.gz GUZRZKPRQNXCPI-UHFFFAOYSA-N 0 0 441.528 2.803 50 0 IFAARN CCc1nc2c(s1)c(C)nn(CC(=O)N1CCN(c3cc(C)ccc3C)CC1)c2=O ZINC000096400088 569400418 /nfs/dbraw/zinc/40/04/18/569400418.db2.gz CZBHTOXJLBFDNG-UHFFFAOYSA-N 0 0 425.558 2.689 50 0 IFAARN C[C@@H]1CN(C(=O)C2CCN(C(=O)/C=C\c3cc4c(c(Cl)c3)OCO4)CC2)C[C@H](C)O1 ZINC000096401572 569400491 /nfs/dbraw/zinc/40/04/91/569400491.db2.gz YUPDJHXWGXEDOX-JQBDECOXSA-N 0 0 434.920 2.956 50 0 IFAARN CCCNC(=O)[C@@H](C)OC(=O)/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000096404312 569400607 /nfs/dbraw/zinc/40/06/07/569400607.db2.gz CZDHEWWPDKGNLV-OJNOIJSXSA-N 0 0 442.537 2.909 50 0 IFAARN COC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1F ZINC000096536578 569401010 /nfs/dbraw/zinc/40/10/10/569401010.db2.gz CFUQZSBVSMZTJF-INIZCTEOSA-N 0 0 425.258 2.532 50 0 IFAARN CCCC[C@H](CC)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000096997131 569402774 /nfs/dbraw/zinc/40/27/74/569402774.db2.gz AIIOBDAUANPUFH-HKUYNNGSSA-N 0 0 425.595 2.548 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCc1cc(F)ccc1Br ZINC000097160138 569403146 /nfs/dbraw/zinc/40/31/46/569403146.db2.gz UIDAWKUKBGOQFM-IJEWVQPXSA-N 0 0 430.343 2.930 50 0 IFAARN O=c1ccc(-n2ccnc2)nn1C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000097164989 569403350 /nfs/dbraw/zinc/40/33/50/569403350.db2.gz VXPSEVNMUXKFEG-HXUWFJFHSA-N 0 0 438.434 2.874 50 0 IFAARN CCCc1nnsc1C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000225544450 569404037 /nfs/dbraw/zinc/40/40/37/569404037.db2.gz VLCSKQFACRFZAD-UHFFFAOYSA-N 0 0 430.509 2.599 50 0 IFAARN O=c1[nH]nc(CC2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)n1-c1ccccc1F ZINC000225545282 569404059 /nfs/dbraw/zinc/40/40/59/569404059.db2.gz UYIHYGSUTBWCTK-NTCAYCPXSA-N 0 0 442.516 2.955 50 0 IFAARN Cc1ccccc1-n1c(CC2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)n[nH]c1=O ZINC000225549284 569404135 /nfs/dbraw/zinc/40/41/35/569404135.db2.gz NEDYWDKFCQJYOP-UHFFFAOYSA-N 0 0 434.496 2.622 50 0 IFAARN COc1ccccc1CCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000055408750 569404716 /nfs/dbraw/zinc/40/47/16/569404716.db2.gz MHYFMOLJWVSSQA-FCHUYYIVSA-N 0 0 442.581 2.876 50 0 IFAARN COc1ccc(CN2CC(=O)N(c3ccc(C(C)C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000055408738 569404730 /nfs/dbraw/zinc/40/47/30/569404730.db2.gz KFAIVIJYKNHWBC-FCHUYYIVSA-N 0 0 428.554 2.833 50 0 IFAARN O=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000225571695 569404836 /nfs/dbraw/zinc/40/48/36/569404836.db2.gz RECVJLKWGHHPHU-UHFFFAOYSA-N 0 0 439.419 2.785 50 0 IFAARN COc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cc1 ZINC000002482939 569404956 /nfs/dbraw/zinc/40/49/56/569404956.db2.gz BEMPVQPWBBSOKV-UHFFFAOYSA-N 0 0 426.860 2.936 50 0 IFAARN COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)ccc1O ZINC000027988579 569405317 /nfs/dbraw/zinc/40/53/17/569405317.db2.gz QCKNOIILUDZJLU-MPGHIAIKSA-N 0 0 428.338 2.644 50 0 IFAARN Cn1ccnc1S(=O)(=O)C1CN(C(=O)CCc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC000225678609 569406746 /nfs/dbraw/zinc/40/67/46/569406746.db2.gz NKGCRZJQRNWTMM-UHFFFAOYSA-N 0 0 443.500 2.969 50 0 IFAARN O=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000225742614 569407898 /nfs/dbraw/zinc/40/78/98/569407898.db2.gz YIFVFGRMCICISD-UHFFFAOYSA-N 0 0 430.434 2.984 50 0 IFAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000225758430 569408178 /nfs/dbraw/zinc/40/81/78/569408178.db2.gz FWRBLJVMGUZKOS-UHFFFAOYSA-N 0 0 435.509 2.723 50 0 IFAARN O=c1[nH]c2ccccc2c(=O)n1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000225759992 569408224 /nfs/dbraw/zinc/40/82/24/569408224.db2.gz LITCVRIWIGKATC-UHFFFAOYSA-N 0 0 437.880 2.508 50 0 IFAARN COc1ccc(Cl)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 ZINC000225762602 569408344 /nfs/dbraw/zinc/40/83/44/569408344.db2.gz VWVIHWKCLSACEI-UHFFFAOYSA-N 0 0 431.851 2.968 50 0 IFAARN COc1cccc2cc(C(=O)N3CCc4nc5ccc(Cl)cn5c(=O)c4C3)c(=O)oc21 ZINC000225779742 569408614 /nfs/dbraw/zinc/40/86/14/569408614.db2.gz WYSWDSMPNJLGFD-UHFFFAOYSA-N 0 0 437.839 2.661 50 0 IFAARN Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000028226940 569409179 /nfs/dbraw/zinc/40/91/79/569409179.db2.gz MTBPMKJXBACMFE-NSHDSACASA-N 0 0 447.259 2.673 50 0 IFAARN COc1cc2c(cc1NC(=O)[C@@H](C)Sc1nnc(C)c(=O)n1N)oc1ccccc12 ZINC000002618822 569410502 /nfs/dbraw/zinc/41/05/02/569410502.db2.gz SUSSHZMKAKKLSG-LLVKDONJSA-N 0 0 425.470 2.688 50 0 IFAARN CC(C)n1c(=O)c2cc3c(cc2nc1N1CCN(C(=O)c2cccs2)CC1)OCCO3 ZINC000028555799 569412198 /nfs/dbraw/zinc/41/21/98/569412198.db2.gz LVWYKURTQYRHLQ-UHFFFAOYSA-N 0 0 440.525 2.773 50 0 IFAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000002635529 569412877 /nfs/dbraw/zinc/41/28/77/569412877.db2.gz DCDPGQUQGTTZED-ZDUSSCGKSA-N 0 0 437.905 2.704 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000002646984 569414339 /nfs/dbraw/zinc/41/43/39/569414339.db2.gz QSXXLCKOTYSNNV-FQEVSTJZSA-N 0 0 430.526 2.947 50 0 IFAARN Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)NC(N)=O)c12 ZINC000002653414 569415168 /nfs/dbraw/zinc/41/51/68/569415168.db2.gz QIUYEJMZUIBYPG-UHFFFAOYSA-N 0 0 429.436 2.748 50 0 IFAARN Cc1cc(NC(=O)COC(=O)c2ccccc2SCC(=O)Nc2cc(C)on2)no1 ZINC000002658932 569415727 /nfs/dbraw/zinc/41/57/27/569415727.db2.gz SRBTVEIKJJKPRY-UHFFFAOYSA-N 0 0 430.442 2.806 50 0 IFAARN COc1ccc(OCc2nnc(S[C@@H](C)C(=O)NC(N)=O)n2-c2ccccc2F)cc1 ZINC000002660768 569416052 /nfs/dbraw/zinc/41/60/52/569416052.db2.gz XLHYLAABSQDZQP-LBPRGKRZSA-N 0 0 445.476 2.670 50 0 IFAARN COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCC[C@H]43)C2=O)cc1OC ZINC000230013760 569417408 /nfs/dbraw/zinc/41/74/08/569417408.db2.gz PWMQBAAJQGLVMB-OFVILXPXSA-N 0 0 449.507 2.741 50 0 IFAARN CCOc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCOC)cc1 ZINC000002713826 569417915 /nfs/dbraw/zinc/41/79/15/569417915.db2.gz ZKQIPSHZENMNDC-UHFFFAOYSA-N 0 0 429.546 2.983 50 0 IFAARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 ZINC000002747776 569420062 /nfs/dbraw/zinc/42/00/62/569420062.db2.gz AMBMTHJCNOQNSW-UHFFFAOYSA-N 0 0 430.408 2.673 50 0 IFAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000028751946 569420132 /nfs/dbraw/zinc/42/01/32/569420132.db2.gz RKGXECVHGCJWCG-JPYJTQIMSA-N 0 0 436.556 2.660 50 0 IFAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000028751948 569420137 /nfs/dbraw/zinc/42/01/37/569420137.db2.gz RKGXECVHGCJWCG-WZONZLPQSA-N 0 0 436.556 2.660 50 0 IFAARN C[C@@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(-c3nc4c5cnn(C)c5ncn4n3)cc2N1 ZINC000002802915 569422577 /nfs/dbraw/zinc/42/25/77/569422577.db2.gz IWCFUHRISADRMF-XCBNKYQSSA-N 0 0 427.341 2.817 50 0 IFAARN CCS(=O)(=O)N1CCC[C@H](C2N=NC(=S)N2c2cnn(Cc3ccc(C)cc3)c2)C1 ZINC000002808589 569422807 /nfs/dbraw/zinc/42/28/07/569422807.db2.gz XRHKVESLQPDNTD-KRWDZBQOSA-N 0 0 446.602 2.638 50 0 IFAARN C[C@@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000028849963 569422848 /nfs/dbraw/zinc/42/28/48/569422848.db2.gz ZAWZRIUREYKRAA-OAHLLOKOSA-N 0 0 434.448 2.546 50 0 IFAARN Cc1ccc(-c2nc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n[nH]2)cc1 ZINC000028855243 569422866 /nfs/dbraw/zinc/42/28/66/569422866.db2.gz CNKKLJDPBLGMDF-UHFFFAOYSA-N 0 0 431.543 2.881 50 0 IFAARN Cc1nn(CCCNC(=O)CCS(=O)(=O)c2ccccc2)c(C)c1Br ZINC000002809535 569422877 /nfs/dbraw/zinc/42/28/77/569422877.db2.gz RHKSXDADFUMZEI-UHFFFAOYSA-N 0 0 428.352 2.633 50 0 IFAARN O=C([C@@H]1[C@@H](c2ccc3c(c2)OCO3)NC(=O)N[C@@]1(O)c1ccc(F)cc1)C(F)(F)F ZINC000226538052 569424052 /nfs/dbraw/zinc/42/40/52/569424052.db2.gz HBVOHZHYHIVVHP-HDMKZQKVSA-N 0 0 426.322 2.501 50 0 IFAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000002908686 569424603 /nfs/dbraw/zinc/42/46/03/569424603.db2.gz LNCHKUUGKXGKQC-INIZCTEOSA-N 0 0 445.566 2.902 50 0 IFAARN COc1cc2c(cc1OC)n(CC(=O)NCc1cccc(Cl)c1)n1c2nc(=O)cc1C ZINC000002948038 569427060 /nfs/dbraw/zinc/42/70/60/569427060.db2.gz BLGFSFFDUQHCBU-UHFFFAOYSA-N 0 0 440.887 2.945 50 0 IFAARN COc1cc2c(cc1OC)n(CC(=O)N1CCc3ccccc3C1)n1c2nc(=O)cc1C ZINC000002948036 569427065 /nfs/dbraw/zinc/42/70/65/569427065.db2.gz HNFVLTOJDJCAJI-UHFFFAOYSA-N 0 0 432.480 2.560 50 0 IFAARN COc1cc2c(cc1OC)n(CC(=O)NC[C@H](C)c1ccccc1)n1c2nc(=O)cc1C ZINC000002948076 569427169 /nfs/dbraw/zinc/42/71/69/569427169.db2.gz JZPDTABVNUMMHX-HNNXBMFYSA-N 0 0 434.496 2.895 50 0 IFAARN O=C(c1cncc(Br)c1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1 ZINC000056903465 569427348 /nfs/dbraw/zinc/42/73/48/569427348.db2.gz AHYZVACFPPUFMQ-UHFFFAOYSA-N 0 0 425.290 2.659 50 0 IFAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 ZINC000056903583 569427444 /nfs/dbraw/zinc/42/74/44/569427444.db2.gz VULHLMGKTKCYJO-UHFFFAOYSA-N 0 0 425.496 2.902 50 0 IFAARN CCCCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000056945446 569427974 /nfs/dbraw/zinc/42/79/74/569427974.db2.gz IEYWMZCNSPVHGX-FQEVSTJZSA-N 0 0 430.524 2.705 50 0 IFAARN O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NCc1ccccc1 ZINC000056949829 569428311 /nfs/dbraw/zinc/42/83/11/569428311.db2.gz ACVYJCPTKAVOAA-UHFFFAOYSA-N 0 0 433.508 2.657 50 0 IFAARN CSc1ccccc1NC(=O)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000056997935 569428953 /nfs/dbraw/zinc/42/89/53/569428953.db2.gz AOSGGEIPPURSQL-UHFFFAOYSA-N 0 0 432.977 2.939 50 0 IFAARN O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccccc1Cl ZINC000056997960 569428962 /nfs/dbraw/zinc/42/89/62/569428962.db2.gz WHFQYLUDWXKOAM-UHFFFAOYSA-N 0 0 435.355 2.548 50 0 IFAARN Cc1cc(NC(=O)C(=O)NCCN2CCN(c3ccccc3F)CC2)c2ccccc2n1 ZINC000056998005 569429016 /nfs/dbraw/zinc/42/90/16/569429016.db2.gz BFKABNWKSBJUAH-UHFFFAOYSA-N 0 0 435.503 2.559 50 0 IFAARN Cc1cc(NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1 ZINC000056997858 569429022 /nfs/dbraw/zinc/42/90/22/569429022.db2.gz TYFZWAHOUIGXGC-UHFFFAOYSA-N 0 0 435.503 2.559 50 0 IFAARN COc1ccc(N2C(=O)CN(Cc3ccccc3F)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000056998159 569429137 /nfs/dbraw/zinc/42/91/37/569429137.db2.gz AOLWPHSCDQGXKY-MSOLQXFVSA-N 0 0 438.908 2.502 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000029264478 569429418 /nfs/dbraw/zinc/42/94/18/569429418.db2.gz UAGULIKBPGDFPL-UHFFFAOYSA-N 0 0 429.542 2.667 50 0 IFAARN CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000029335614 569429721 /nfs/dbraw/zinc/42/97/21/569429721.db2.gz XGTZROLFFPXQBA-UHFFFAOYSA-N 0 0 441.919 2.680 50 0 IFAARN COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCCN1CCCC1=O)CO3 ZINC000057129169 569429747 /nfs/dbraw/zinc/42/97/47/569429747.db2.gz NNEJUMDGVWHPLW-UHFFFAOYSA-N 0 0 448.903 2.635 50 0 IFAARN CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)c(F)c1 ZINC000057270731 569430292 /nfs/dbraw/zinc/43/02/92/569430292.db2.gz WXTWGHIHQOPRPC-UHFFFAOYSA-N 0 0 427.476 2.950 50 0 IFAARN Cc1nn(C)c(C)c1[C@H]1CC(c2cccc(O)c2)=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000227173399 569431686 /nfs/dbraw/zinc/43/16/86/569431686.db2.gz QXHMBMDTQGAMHJ-HXUWFJFHSA-N 0 0 425.514 2.746 50 0 IFAARN COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCc3ccccc3C1)c2=O ZINC000002952098 569432182 /nfs/dbraw/zinc/43/21/82/569432182.db2.gz WORIVCRRWNDKGO-UHFFFAOYSA-N 0 0 449.507 2.622 50 0 IFAARN CCOc1cc2[nH]c(=O)n(CCCC(=O)N[C@H]3CCCC[C@H]3C)c(=O)c2cc1OCC ZINC000002952459 569432302 /nfs/dbraw/zinc/43/23/02/569432302.db2.gz VJWGCNOXOUDWEZ-WBVHZDCISA-N 0 0 431.533 2.962 50 0 IFAARN Cc1ncc(CO)c2cc(C(=O)NC3=C[C@H]4OCO[C@H]4C=C3)/c(=N/c3ccccc3)oc12 ZINC000002955872 569432403 /nfs/dbraw/zinc/43/24/03/569432403.db2.gz VVTOPNAYOHOVPI-RKCXDLFGSA-N 0 0 431.448 2.786 50 0 IFAARN CCOC(CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(C)[nH]n1)OCC ZINC000002973596 569433477 /nfs/dbraw/zinc/43/34/77/569433477.db2.gz QSPZMWPUWZFEOD-UHFFFAOYSA-N 0 0 445.545 2.948 50 0 IFAARN COCCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(OC)cc1 ZINC000002972210 569433486 /nfs/dbraw/zinc/43/34/86/569433486.db2.gz AMKJHJKJMDIADS-UHFFFAOYSA-N 0 0 427.526 2.698 50 0 IFAARN COC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057414438 569433908 /nfs/dbraw/zinc/43/39/08/569433908.db2.gz AXLSGVDKUAXNDD-OAQYLSRUSA-N 0 0 425.485 2.617 50 0 IFAARN COC(=O)C1C(CN2CCN(c3cccc(Cl)c3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414287 569433930 /nfs/dbraw/zinc/43/39/30/569433930.db2.gz KSCNIVMWRFIDNT-OAQYLSRUSA-N 0 0 440.931 2.943 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3ccc(C)cc3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414408 569433944 /nfs/dbraw/zinc/43/39/44/569433944.db2.gz NYAPYTYCBJIEAJ-HSZRJFAPSA-N 0 0 434.540 2.988 50 0 IFAARN COCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2ccsc2c1=O ZINC000057425727 569434425 /nfs/dbraw/zinc/43/44/25/569434425.db2.gz MROUOKHIVWMKDH-UHFFFAOYSA-N 0 0 435.527 2.852 50 0 IFAARN COCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccsc2c1=O ZINC000057425860 569434455 /nfs/dbraw/zinc/43/44/55/569434455.db2.gz FVZGUPBEJGGYJM-UHFFFAOYSA-N 0 0 432.527 2.794 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCC[C@H](C)C3)c2=O)c1 ZINC000057426864 569434718 /nfs/dbraw/zinc/43/47/18/569434718.db2.gz MPNLVMXOVHCNJS-HNNXBMFYSA-N 0 0 427.526 2.540 50 0 IFAARN CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)on3)c2=O)cc1 ZINC000057428164 569434855 /nfs/dbraw/zinc/43/48/55/569434855.db2.gz HPVSIMSIOIHBDD-UHFFFAOYSA-N 0 0 440.481 2.607 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478466 569435848 /nfs/dbraw/zinc/43/58/48/569435848.db2.gz YUUAGGQOQJJZFL-QHCPKHFHSA-N 0 0 449.555 2.637 50 0 IFAARN CCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)ccc2C(=O)OC)c1=O ZINC000057485897 569436372 /nfs/dbraw/zinc/43/63/72/569436372.db2.gz JRIHEVHASSYJEB-UHFFFAOYSA-N 0 0 435.889 2.713 50 0 IFAARN C[C@@H]1C[C@H](C)CN(C(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3F)c2=O)C1 ZINC000057485986 569436394 /nfs/dbraw/zinc/43/63/94/569436394.db2.gz ZFTIXAMOMNXQLC-GASCZTMLSA-N 0 0 429.517 2.917 50 0 IFAARN COCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O ZINC000057485905 569436407 /nfs/dbraw/zinc/43/64/07/569436407.db2.gz UEBGPNGQGZQOPW-UHFFFAOYSA-N 0 0 427.404 2.529 50 0 IFAARN CCOC(=O)CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000003028419 569436499 /nfs/dbraw/zinc/43/64/99/569436499.db2.gz CSFPJJZWZDGNAA-UHFFFAOYSA-N 0 0 425.478 2.987 50 0 IFAARN Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5CCCC[C@H]5C)nc34)n2)cc1 ZINC000057503537 569438116 /nfs/dbraw/zinc/43/81/16/569438116.db2.gz ROVCIKQUJFUXPT-MRXNPFEDSA-N 0 0 432.484 2.922 50 0 IFAARN Cc1cc2nn(CC(=O)Nc3ccccc3C)c(=O)n2c(N2CCc3ccccc3C2)n1 ZINC000057505839 569438181 /nfs/dbraw/zinc/43/81/81/569438181.db2.gz FBXIZJWJROXTRA-UHFFFAOYSA-N 0 0 428.496 2.709 50 0 IFAARN COc1cc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc32)cc(OC)c1 ZINC000057506984 569438252 /nfs/dbraw/zinc/43/82/52/569438252.db2.gz WELZUDLIUQOZHC-UHFFFAOYSA-N 0 0 447.542 2.671 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C)nc2N2CCc3ccccc3C2)cc1 ZINC000057506612 569438271 /nfs/dbraw/zinc/43/82/71/569438271.db2.gz PKEKGETVLDPWRW-UHFFFAOYSA-N 0 0 432.480 2.540 50 0 IFAARN CCc1cc(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c(-c2cccc(F)c2)n1 ZINC000057508089 569438303 /nfs/dbraw/zinc/43/83/03/569438303.db2.gz SIPYFICTHNLHIS-UHFFFAOYSA-N 0 0 439.487 2.988 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000230129513 569438853 /nfs/dbraw/zinc/43/88/53/569438853.db2.gz XUQBABWCLZMMOU-GMAHTHKFSA-N 0 0 429.524 2.669 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CNCc1ccccc1OC ZINC000057523059 569439036 /nfs/dbraw/zinc/43/90/36/569439036.db2.gz NDBFXTYWUXUAOG-UHFFFAOYSA-N 0 0 433.530 2.672 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)cc(CC)nc2-c2cccc(Cl)c2)C1 ZINC000057527558 569439133 /nfs/dbraw/zinc/43/91/33/569439133.db2.gz NRXIEEFSKDUXST-MRXNPFEDSA-N 0 0 431.920 2.928 50 0 IFAARN COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1 ZINC000030011609 569440322 /nfs/dbraw/zinc/44/03/22/569440322.db2.gz CWJHTLODTPXIFP-UHFFFAOYSA-N 0 0 442.541 2.940 50 0 IFAARN COc1ccc(-n2ncc(C(=O)NCCOc3ccc(F)cc3)c2C(F)(F)F)nn1 ZINC000030129750 569440865 /nfs/dbraw/zinc/44/08/65/569440865.db2.gz YPPHDUSPKGJKRM-UHFFFAOYSA-N 0 0 425.342 2.638 50 0 IFAARN O=C(NCCCn1cccn1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000030171260 569441010 /nfs/dbraw/zinc/44/10/10/569441010.db2.gz HOXWSFCYTKFBJA-UHFFFAOYSA-N 0 0 445.372 2.797 50 0 IFAARN CCOC(=O)c1c(N)n(C[C@H](C)NC(=O)COc2ccccc2)c2nc3ccccc3nc21 ZINC000003186840 569441406 /nfs/dbraw/zinc/44/14/06/569441406.db2.gz SODFYQHVQOIELR-HNNXBMFYSA-N 0 0 447.495 2.927 50 0 IFAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000003207398 569441661 /nfs/dbraw/zinc/44/16/61/569441661.db2.gz VSBMODKVGUQIKU-UHFFFAOYSA-N 0 0 432.527 2.739 50 0 IFAARN O=C(COC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1cccc(F)c1 ZINC000003245653 569442729 /nfs/dbraw/zinc/44/27/29/569442729.db2.gz HHORKEKHCPIHGL-UHFFFAOYSA-N 0 0 448.394 2.695 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@]2(C)CC2(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000003253282 569442997 /nfs/dbraw/zinc/44/29/97/569442997.db2.gz GUCZUGHFTACTDK-KZULUSFZSA-N 0 0 426.300 2.939 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000003272360 569443587 /nfs/dbraw/zinc/44/35/87/569443587.db2.gz AYXSWFHXPLBMSC-UHFFFAOYSA-N 0 0 425.485 2.854 50 0 IFAARN CCOC(=O)CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N ZINC000003286511 569444129 /nfs/dbraw/zinc/44/41/29/569444129.db2.gz LWVXRGXCTDAGGQ-UHFFFAOYSA-N 0 0 432.333 2.517 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCN(Cc4ccc(F)cc4)C3)cc2C[C@H]1C ZINC000057995526 569444389 /nfs/dbraw/zinc/44/43/89/569444389.db2.gz AOYSLHSEQFGXHV-MRXNPFEDSA-N 0 0 431.533 2.977 50 0 IFAARN COC(=O)C1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)CCCC1 ZINC000058005062 569444593 /nfs/dbraw/zinc/44/45/93/569444593.db2.gz MTRWSYQBDRDHSB-AWEZNQCLSA-N 0 0 442.965 2.976 50 0 IFAARN CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000003303025 569445137 /nfs/dbraw/zinc/44/51/37/569445137.db2.gz UEUVLHFBAASLRP-QGZVFWFLSA-N 0 0 447.900 2.820 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000003303898 569445198 /nfs/dbraw/zinc/44/51/98/569445198.db2.gz CNHDYHVUCAHPPK-OAHLLOKOSA-N 0 0 448.566 2.670 50 0 IFAARN CC(C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl ZINC000003311898 569445523 /nfs/dbraw/zinc/44/55/23/569445523.db2.gz ZTZXYXQXTHLYMD-UHFFFAOYSA-N 0 0 438.933 2.842 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)NC1CCCCC1 ZINC000003313998 569445642 /nfs/dbraw/zinc/44/56/42/569445642.db2.gz SZTTXQQCFNAGCL-UHFFFAOYSA-N 0 0 427.478 2.670 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000003317816 569445837 /nfs/dbraw/zinc/44/58/37/569445837.db2.gz LVOYDGUNOCBMLN-UHFFFAOYSA-N 0 0 442.537 2.916 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NCc1ccccc1 ZINC000003318492 569445840 /nfs/dbraw/zinc/44/58/40/569445840.db2.gz CGBDYGKQCDOKKU-UHFFFAOYSA-N 0 0 438.505 2.638 50 0 IFAARN CN(CC(=O)OCC(=O)c1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003332238 569446495 /nfs/dbraw/zinc/44/64/95/569446495.db2.gz PQVOGVDFNVFOFZ-UHFFFAOYSA-N 0 0 447.843 2.988 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000003346982 569447129 /nfs/dbraw/zinc/44/71/29/569447129.db2.gz VMMMPBRSASJKFA-GOSISDBHSA-N 0 0 426.469 2.508 50 0 IFAARN COc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000003347979 569447202 /nfs/dbraw/zinc/44/72/02/569447202.db2.gz BBVOSOXYEMVPDH-UHFFFAOYSA-N 0 0 442.493 2.884 50 0 IFAARN O=C(COC(=O)c1nc(Cl)ccc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003367424 569448203 /nfs/dbraw/zinc/44/82/03/569448203.db2.gz UMSMVYFDQHBEKI-UHFFFAOYSA-N 0 0 426.212 2.665 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NCc1ccccc1 ZINC000003371986 569448491 /nfs/dbraw/zinc/44/84/91/569448491.db2.gz VHWMLHLMENCBBW-UHFFFAOYSA-N 0 0 428.444 2.956 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1ccc2c(c1)OCO2 ZINC000003373245 569448561 /nfs/dbraw/zinc/44/85/61/569448561.db2.gz HYWOETFDADPXDY-UHFFFAOYSA-N 0 0 448.387 2.600 50 0 IFAARN CCOc1cc(C(=O)Nc2nc3c(s2)CCCC3)ccc1OCC(=O)N1CCOCC1 ZINC000003380582 569448779 /nfs/dbraw/zinc/44/87/79/569448779.db2.gz UFTGPOXSMJUUEV-UHFFFAOYSA-N 0 0 445.541 2.911 50 0 IFAARN C[C@H]1Oc2ccccc2N(CCC(=O)N(CCO)Cc2ccccc2Br)C1=O ZINC000058159904 569449169 /nfs/dbraw/zinc/44/91/69/569449169.db2.gz HVXBXLFHAXPDDD-OAHLLOKOSA-N 0 0 447.329 2.974 50 0 IFAARN Cc1occc1-c1nnc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1 ZINC000003440145 569451133 /nfs/dbraw/zinc/45/11/33/569451133.db2.gz MWNSXLHRSXVIDN-MRXNPFEDSA-N 0 0 446.554 2.573 50 0 IFAARN COCCn1c(=O)c2ccc(Cl)cc2nc1SCn1nnc2ccccc2c1=O ZINC000003442977 569451272 /nfs/dbraw/zinc/45/12/72/569451272.db2.gz RYKZQCRARUFNDL-UHFFFAOYSA-N 0 0 429.889 2.551 50 0 IFAARN CCOC(=O)c1sc2[nH]c(CSc3nnc(-c4ccncc4)n3C)nc(=O)c2c1C ZINC000003444392 569451337 /nfs/dbraw/zinc/45/13/37/569451337.db2.gz XJKFGBWNVSNTEV-UHFFFAOYSA-N 0 0 442.526 2.953 50 0 IFAARN NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000003447372 569451460 /nfs/dbraw/zinc/45/14/60/569451460.db2.gz GMTYHMQEJKKCMF-UHFFFAOYSA-N 0 0 442.868 2.527 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC(=O)Nc2c(C)cccc2C)C(C)C)cc1 ZINC000003448352 569451491 /nfs/dbraw/zinc/45/14/91/569451491.db2.gz JJPMSWDNGSGWEF-FQEVSTJZSA-N 0 0 431.558 2.670 50 0 IFAARN O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1F ZINC000003450503 569451618 /nfs/dbraw/zinc/45/16/18/569451618.db2.gz DDRBRPRRNFIMRE-UHFFFAOYSA-N 0 0 449.287 2.983 50 0 IFAARN Cc1ccc(CNC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC000003453640 569451722 /nfs/dbraw/zinc/45/17/22/569451722.db2.gz OOBSXJALMVZPEK-UHFFFAOYSA-N 0 0 444.553 2.951 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)o2)cc1 ZINC000003458964 569451830 /nfs/dbraw/zinc/45/18/30/569451830.db2.gz OTJFGGQKBKLXSX-UHFFFAOYSA-N 0 0 442.453 2.957 50 0 IFAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O ZINC000003460898 569451924 /nfs/dbraw/zinc/45/19/24/569451924.db2.gz SHKQMVQCZXHRJT-IBGZPJMESA-N 0 0 434.265 2.672 50 0 IFAARN COC(=O)c1cc(-c2csc(NC(=O)c3sc4ncn(C)c(=O)c4c3C)n2)c[nH]1 ZINC000030987043 569452066 /nfs/dbraw/zinc/45/20/66/569452066.db2.gz XIXAVDBGKUTWBV-UHFFFAOYSA-N 0 0 429.483 2.794 50 0 IFAARN Cc1cc2occ(CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)c2cc1C ZINC000030994208 569452196 /nfs/dbraw/zinc/45/21/96/569452196.db2.gz YYAHCEYUJFZGCA-UHFFFAOYSA-N 0 0 442.537 2.929 50 0 IFAARN Cc1cc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)c(C)n1CC(F)(F)F ZINC000003478823 569452291 /nfs/dbraw/zinc/45/22/91/569452291.db2.gz ATJQSNPECJBIHF-UHFFFAOYSA-N 0 0 446.447 2.680 50 0 IFAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000031034430 569452754 /nfs/dbraw/zinc/45/27/54/569452754.db2.gz KUIUWAZJMHGGCT-LJQANCHMSA-N 0 0 433.455 2.733 50 0 IFAARN Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003503394 569452846 /nfs/dbraw/zinc/45/28/46/569452846.db2.gz NETAXLVGQDYNLH-UHFFFAOYSA-N 0 0 440.239 2.852 50 0 IFAARN Cc1cc(OC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc(=O)n1C ZINC000217779277 569453019 /nfs/dbraw/zinc/45/30/19/569453019.db2.gz XHFFETCUJJLIQF-UHFFFAOYSA-N 0 0 430.448 2.945 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000003515940 569453119 /nfs/dbraw/zinc/45/31/19/569453119.db2.gz ZZJVVWWWHGABEF-VIFPVBQESA-N 0 0 447.296 2.833 50 0 IFAARN C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003521851 569453213 /nfs/dbraw/zinc/45/32/13/569453213.db2.gz DHRARJBYTLUTEL-JTQLQIEISA-N 0 0 433.540 2.711 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4o3)CC2)cc1 ZINC000003523440 569453250 /nfs/dbraw/zinc/45/32/50/569453250.db2.gz CTDKITBXGSGFJX-UHFFFAOYSA-N 0 0 431.539 2.761 50 0 IFAARN CC(C)[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000003530271 569453351 /nfs/dbraw/zinc/45/33/51/569453351.db2.gz MYQZCEXIMJWOBA-QGZVFWFLSA-N 0 0 444.553 2.751 50 0 IFAARN O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000003530993 569453465 /nfs/dbraw/zinc/45/34/65/569453465.db2.gz FCGSQOSSCYLUJK-MRXNPFEDSA-N 0 0 442.468 2.501 50 0 IFAARN COc1ccc(C)cc1NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1N ZINC000003542099 569453601 /nfs/dbraw/zinc/45/36/01/569453601.db2.gz SUVWJCSBYUCYIU-KRWDZBQOSA-N 0 0 427.486 2.552 50 0 IFAARN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Br)cc1 ZINC000003540540 569453619 /nfs/dbraw/zinc/45/36/19/569453619.db2.gz NXFMTIXZXZXGLL-GFCCVEGCSA-N 0 0 426.336 2.556 50 0 IFAARN C[C@@H](NC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc2c(c1)OCCO2 ZINC000031127781 569453856 /nfs/dbraw/zinc/45/38/56/569453856.db2.gz CBRMCVVELFZARQ-BRWVUGGUSA-N 0 0 431.533 2.576 50 0 IFAARN COc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 ZINC000031172276 569454310 /nfs/dbraw/zinc/45/43/10/569454310.db2.gz SSWWTOIEUIDQNA-UHFFFAOYSA-N 0 0 425.464 2.837 50 0 IFAARN COc1ccccc1CNC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000003577830 569454355 /nfs/dbraw/zinc/45/43/55/569454355.db2.gz MHJYREXRPIIEMR-UHFFFAOYSA-N 0 0 444.443 2.969 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 ZINC000003587663 569454516 /nfs/dbraw/zinc/45/45/16/569454516.db2.gz LZHJFIILGFRJFA-UHFFFAOYSA-N 0 0 434.514 2.904 50 0 IFAARN O=C(c1ccco1)N1CCC[C@H](C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)C1 ZINC000031191471 569454626 /nfs/dbraw/zinc/45/46/26/569454626.db2.gz DWNXXYFXWHANBV-QFIPXVFZSA-N 0 0 449.551 2.955 50 0 IFAARN Cc1cc(=O)c(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC000058440023 569454816 /nfs/dbraw/zinc/45/48/16/569454816.db2.gz CHIONCOKANGNTQ-CQSZACIVSA-N 0 0 448.445 2.691 50 0 IFAARN C[C@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000031212837 569454873 /nfs/dbraw/zinc/45/48/73/569454873.db2.gz VIHGVKOKEYVCOT-MRXNPFEDSA-N 0 0 435.977 2.825 50 0 IFAARN COc1ccccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003619332 569455049 /nfs/dbraw/zinc/45/50/49/569455049.db2.gz GKMHGNDJTAKVHL-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nnc3ccccc3c1=O)C[C@@H](C)CC2 ZINC000003617805 569455071 /nfs/dbraw/zinc/45/50/71/569455071.db2.gz UNDHRNRKVKQUNQ-LBPRGKRZSA-N 0 0 426.498 2.793 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCc2ccccc21 ZINC000003621751 569455154 /nfs/dbraw/zinc/45/51/54/569455154.db2.gz WBWDNUBOMCYLKM-UHFFFAOYSA-N 0 0 442.537 2.997 50 0 IFAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NC[C@@H]4CCCO4)cc3[nH]c2=S)cc1OC ZINC000003632093 569455349 /nfs/dbraw/zinc/45/53/49/569455349.db2.gz YBJQNOSACYMUBA-HNNXBMFYSA-N 0 0 441.509 2.600 50 0 IFAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NC[C@H]4CCCO4)cc3[nH]c2=S)cc1OC ZINC000003632091 569455410 /nfs/dbraw/zinc/45/54/10/569455410.db2.gz YBJQNOSACYMUBA-OAHLLOKOSA-N 0 0 441.509 2.600 50 0 IFAARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000031353070 569456114 /nfs/dbraw/zinc/45/61/14/569456114.db2.gz YHWYHYYMBMPHOU-MRXNPFEDSA-N 0 0 433.551 2.710 50 0 IFAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000031390948 569456258 /nfs/dbraw/zinc/45/62/58/569456258.db2.gz KKFYJHYZLHLJTL-QHCPKHFHSA-N 0 0 438.572 2.856 50 0 IFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000031421027 569456432 /nfs/dbraw/zinc/45/64/32/569456432.db2.gz GCVKHYZZASLJBS-HXUWFJFHSA-N 0 0 426.904 2.966 50 0 IFAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000031473973 569456483 /nfs/dbraw/zinc/45/64/83/569456483.db2.gz NCHAIDXPZUHXMQ-DEOSSOPVSA-N 0 0 432.480 2.516 50 0 IFAARN C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000031600549 569456843 /nfs/dbraw/zinc/45/68/43/569456843.db2.gz XXAYFCLRJZYXIS-SFHVURJKSA-N 0 0 438.553 2.709 50 0 IFAARN COc1ccc(OC)c2c1CN(CN1C(=O)C(=O)c3c1cccc3Br)C[C@H]2O ZINC000031783594 569457365 /nfs/dbraw/zinc/45/73/65/569457365.db2.gz FQXRYNLEQYYZRT-CQSZACIVSA-N 0 0 447.285 2.502 50 0 IFAARN CN(C(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCN(C)C3)c1ccccc1 ZINC000031808179 569457544 /nfs/dbraw/zinc/45/75/44/569457544.db2.gz MPKWNXHCMLEIAH-UHFFFAOYSA-N 0 0 437.569 2.980 50 0 IFAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)c(OC)c1 ZINC000031811030 569457659 /nfs/dbraw/zinc/45/76/59/569457659.db2.gz VHJDNHKLZNPQHL-KRWDZBQOSA-N 0 0 437.485 2.639 50 0 IFAARN CN1CCc2c3c(N)c(C(=O)NCc4ccccc4)sc3nc(N3CCOCC3)c2C1 ZINC000031810844 569457663 /nfs/dbraw/zinc/45/76/63/569457663.db2.gz CWEVBKGNCDGIPW-UHFFFAOYSA-N 0 0 437.569 2.633 50 0 IFAARN O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000031812830 569457763 /nfs/dbraw/zinc/45/77/63/569457763.db2.gz UBFMNQJCTOBLJD-UHFFFAOYSA-N 0 0 441.915 2.634 50 0 IFAARN CCOC(=O)C1=C(Cn2cccc(C(F)(F)F)c2=O)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000031815030 569457902 /nfs/dbraw/zinc/45/79/02/569457902.db2.gz OWGDSBZSKKQNGY-OAHLLOKOSA-N 0 0 425.363 2.640 50 0 IFAARN CC(=O)NCCc1ccc(C(=O)CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)cc1F ZINC000059009372 569458496 /nfs/dbraw/zinc/45/84/96/569458496.db2.gz NZFVQRPLLSMWBG-CYBMUJFWSA-N 0 0 429.423 2.683 50 0 IFAARN O=C(CCCn1nnc2ccccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000032072806 569459296 /nfs/dbraw/zinc/45/92/96/569459296.db2.gz DCJSHCUPHBHLNH-UHFFFAOYSA-N 0 0 426.904 2.735 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000032091791 569459618 /nfs/dbraw/zinc/45/96/18/569459618.db2.gz SMRHVOJDGWYODY-UHFFFAOYSA-N 0 0 439.537 2.994 50 0 IFAARN O=C(Nc1nccs1)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000032101358 569460069 /nfs/dbraw/zinc/46/00/69/569460069.db2.gz IRXJZLUOMANHDG-PKOBYXMFSA-N 0 0 434.521 2.862 50 0 IFAARN NC(=O)CN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)C1=O ZINC000032101698 569460080 /nfs/dbraw/zinc/46/00/80/569460080.db2.gz FMXLELNKUUPLLQ-QFIPXVFZSA-N 0 0 435.871 2.695 50 0 IFAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCCO)nn1-c1ccc(F)c(Cl)c1)C2 ZINC000032105808 569460241 /nfs/dbraw/zinc/46/02/41/569460241.db2.gz QKQLGCDIVWHQTG-UHFFFAOYSA-N 0 0 431.851 2.975 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1OC ZINC000032124334 569460430 /nfs/dbraw/zinc/46/04/30/569460430.db2.gz JUTSJPMJJCXQLC-SIKLNZKXSA-N 0 0 434.496 2.860 50 0 IFAARN O=S(=O)(NCCN1CCC[C@@H](CO)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000670461262 569460830 /nfs/dbraw/zinc/46/08/30/569460830.db2.gz RBOJNFWSVOWZNV-LLVKDONJSA-N 0 0 434.402 2.707 50 0 IFAARN Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1 ZINC000008751169 569473415 /nfs/dbraw/zinc/47/34/15/569473415.db2.gz PJCFXOCEZYLBAK-UHFFFAOYSA-N 0 0 439.331 2.610 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000008163190 569462414 /nfs/dbraw/zinc/46/24/14/569462414.db2.gz KDWQFKJERLNSOR-UHFFFAOYSA-N 0 0 426.521 2.834 50 0 IFAARN CCOC(=O)CNC(=O)/C(=C\c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000038204075 569462459 /nfs/dbraw/zinc/46/24/59/569462459.db2.gz WSVIPPZVAMJPJY-GZTJUZNOSA-N 0 0 431.286 2.899 50 0 IFAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nnn3CC)cc1OCC ZINC000008313440 569462545 /nfs/dbraw/zinc/46/25/45/569462545.db2.gz AGLFVLNATKMFEG-UHFFFAOYSA-N 0 0 425.489 2.959 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)NCCOc1ccc(-c2ccc(F)cc2)nn1 ZINC000038486363 569462794 /nfs/dbraw/zinc/46/27/94/569462794.db2.gz JYNHRAXPRXWOLR-UHFFFAOYSA-N 0 0 429.473 2.642 50 0 IFAARN COc1cc(OC)cc(-c2noc(Cn3c4ccccc4c(=O)n(CC(C)C)c3=O)n2)c1 ZINC000038486500 569462801 /nfs/dbraw/zinc/46/28/01/569462801.db2.gz SLHVONRKOXHDOO-UHFFFAOYSA-N 0 0 436.468 2.935 50 0 IFAARN Cn1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1NC(=O)C[C@@H]2c1ccco1 ZINC000038519863 569463148 /nfs/dbraw/zinc/46/31/48/569463148.db2.gz LCCCCFRGRIYFIN-IUODEOHRSA-N 0 0 437.431 2.618 50 0 IFAARN COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000067198642 569464443 /nfs/dbraw/zinc/46/44/43/569464443.db2.gz XOLWQJQVQJICMP-UHFFFAOYSA-N 0 0 439.468 2.892 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204949 569464560 /nfs/dbraw/zinc/46/45/60/569464560.db2.gz XPHIFVPZIAGTMR-QFIPXVFZSA-N 0 0 438.503 2.737 50 0 IFAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N2C[C@H](C)C[C@H](C)C2)c1=O ZINC000067205458 569464586 /nfs/dbraw/zinc/46/45/86/569464586.db2.gz QQWHTKGFBJUOLD-IYBDPMFKSA-N 0 0 441.553 2.786 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204952 569464616 /nfs/dbraw/zinc/46/46/16/569464616.db2.gz XPHIFVPZIAGTMR-JOCHJYFZSA-N 0 0 438.503 2.737 50 0 IFAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c1=O ZINC000067205461 569464619 /nfs/dbraw/zinc/46/46/19/569464619.db2.gz QQWHTKGFBJUOLD-HOTGVXAUSA-N 0 0 441.553 2.786 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1ncn2nc(-c3ccc(CC)cc3)cc2c1=O ZINC000067208804 569464761 /nfs/dbraw/zinc/46/47/61/569464761.db2.gz UHDUYUXDRBKZDG-UHFFFAOYSA-N 0 0 445.479 2.936 50 0 IFAARN COc1ccc(N(C(=O)CNC(C)=O)[C@@H](C(=O)Nc2ccccc2)c2ccncc2)cc1 ZINC000008445611 569464800 /nfs/dbraw/zinc/46/48/00/569464800.db2.gz GEPWLINATAACMG-HSZRJFAPSA-N 0 0 432.480 2.939 50 0 IFAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1cnccn1 ZINC000038620171 569464896 /nfs/dbraw/zinc/46/48/96/569464896.db2.gz WDPLNCPQBJKJKL-NRFANRHFSA-N 0 0 449.486 2.638 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cc(C)oc2C)CC3)cc1 ZINC000038633757 569465071 /nfs/dbraw/zinc/46/50/71/569465071.db2.gz JFPCGOHQPMCVHP-UHFFFAOYSA-N 0 0 434.514 2.558 50 0 IFAARN O=C(CNC(=O)c1ccccc1)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000008451481 569465083 /nfs/dbraw/zinc/46/50/83/569465083.db2.gz BVJQZAIIDRADCO-XMMPIXPASA-N 0 0 430.460 2.700 50 0 IFAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC[C@H]2CCCO2)s1 ZINC000008912402 569485031 /nfs/dbraw/zinc/48/50/31/569485031.db2.gz UZOLIFVOURAECB-CYBMUJFWSA-N 0 0 430.573 2.669 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)Nc4ccc(F)cc4F)c(=O)n3c(C)n2)cc1 ZINC000067226552 569465257 /nfs/dbraw/zinc/46/52/57/569465257.db2.gz YILAUOPKADLFGI-UHFFFAOYSA-N 0 0 425.395 2.792 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)N[C@H]4CCc5ccccc54)c(=O)n3c(C)n2)cc1 ZINC000067226647 569465308 /nfs/dbraw/zinc/46/53/08/569465308.db2.gz TYNLSQKYLWWJAM-FQEVSTJZSA-N 0 0 429.480 2.679 50 0 IFAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000067239331 569465682 /nfs/dbraw/zinc/46/56/82/569465682.db2.gz SAEBWHTVAOWMJD-UHFFFAOYSA-N 0 0 449.577 2.662 50 0 IFAARN CCOc1ccc2sc(NC(=O)Cn3c(=O)cc(COC)nc3N3CCCC3)nc2c1 ZINC000067257050 569466094 /nfs/dbraw/zinc/46/60/94/569466094.db2.gz MSENUCABULNZPL-UHFFFAOYSA-N 0 0 443.529 2.637 50 0 IFAARN CCOc1ccccc1-n1ccn(CC(=O)Nc2cccc(Br)c2)c(=O)c1=O ZINC000067256674 569466118 /nfs/dbraw/zinc/46/61/18/569466118.db2.gz UZLKQVOFFWGDFI-UHFFFAOYSA-N 0 0 444.285 2.799 50 0 IFAARN Cn1c2ccccc2nc1C1CCC(CNC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000038671716 569466598 /nfs/dbraw/zinc/46/65/98/569466598.db2.gz PFOKGWRFUZOQRG-UHFFFAOYSA-N 0 0 426.542 2.925 50 0 IFAARN COc1cccc(-c2cc3c(N4CCC(C(=O)NC[C@H]5CCCO5)CC4)nccn3n2)c1 ZINC000067263446 569466697 /nfs/dbraw/zinc/46/66/97/569466697.db2.gz PBVCQPZIADRTPB-HXUWFJFHSA-N 0 0 435.528 2.917 50 0 IFAARN Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)NCCCc3ccccc3)C3=C2C(=O)OC3)c1 ZINC000067288824 569467463 /nfs/dbraw/zinc/46/74/63/569467463.db2.gz QXEUDEQDRSZASA-QHCPKHFHSA-N 0 0 433.508 2.930 50 0 IFAARN Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)NCCCc3ccccc3)C3=C2C(=O)OC3)c1 ZINC000067288821 569467468 /nfs/dbraw/zinc/46/74/68/569467468.db2.gz QXEUDEQDRSZASA-HSZRJFAPSA-N 0 0 433.508 2.930 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1ccccc1 ZINC000067300228 569468184 /nfs/dbraw/zinc/46/81/84/569468184.db2.gz ODJBJOLRNOHPJW-UHFFFAOYSA-N 0 0 435.480 2.569 50 0 IFAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)NCc2ccco2)c(=O)c1CCO ZINC000067301181 569468237 /nfs/dbraw/zinc/46/82/37/569468237.db2.gz BXXRKKMBZBHMEG-UHFFFAOYSA-N 0 0 435.402 2.682 50 0 IFAARN Cc1ccc2c(c1)N(C(=O)Cn1c(=O)c(CCO)c(C)nc1-c1ccc(F)cc1)CCO2 ZINC000067300998 569468278 /nfs/dbraw/zinc/46/82/78/569468278.db2.gz PHBICNJSLHTYHO-UHFFFAOYSA-N 0 0 437.471 2.627 50 0 IFAARN COc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12 ZINC000038736411 569468339 /nfs/dbraw/zinc/46/83/39/569468339.db2.gz BKRXWOFAOSIMGL-UHFFFAOYSA-N 0 0 439.472 2.903 50 0 IFAARN COc1cccc([C@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(F)c2)c1 ZINC000067316953 569468475 /nfs/dbraw/zinc/46/84/75/569468475.db2.gz NNQPICMHNTYMLE-HNNXBMFYSA-N 0 0 439.487 2.779 50 0 IFAARN COc1cccc([C@@H](C)NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c1 ZINC000067317120 569468493 /nfs/dbraw/zinc/46/84/93/569468493.db2.gz SGUYBOASLWJQEH-CQSZACIVSA-N 0 0 427.530 2.729 50 0 IFAARN Cc1c(C(=O)Nc2cc(F)ccc2C)nnn1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000067322512 569468698 /nfs/dbraw/zinc/46/86/98/569468698.db2.gz HNLLJIKGGPODEB-UHFFFAOYSA-N 0 0 425.420 2.696 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3F)c2C)cc1 ZINC000067323224 569468790 /nfs/dbraw/zinc/46/87/90/569468790.db2.gz CPEPIBHKNSWYDF-UHFFFAOYSA-N 0 0 425.420 2.793 50 0 IFAARN COc1ccc(S(=O)(=O)c2cnc(N3CCN(c4cccc(C)c4)CC3)nc2N)cc1 ZINC000067336315 569468887 /nfs/dbraw/zinc/46/88/87/569468887.db2.gz DMSVNAIMYJPRKB-UHFFFAOYSA-N 0 0 439.541 2.535 50 0 IFAARN CC(C)(C)OC(=O)NC1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1 ZINC000067335763 569468909 /nfs/dbraw/zinc/46/89/09/569468909.db2.gz FICXEOCXBLCWRV-UHFFFAOYSA-N 0 0 431.518 2.920 50 0 IFAARN CCN1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000008575456 569469178 /nfs/dbraw/zinc/46/91/78/569469178.db2.gz VJMGHVFBEZGSSC-RFWMEDTCSA-N 0 0 439.493 2.961 50 0 IFAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038834564 569469201 /nfs/dbraw/zinc/46/92/01/569469201.db2.gz KQDWDDYBALZEOJ-KRWDZBQOSA-N 0 0 438.889 2.682 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC ZINC000038834992 569469209 /nfs/dbraw/zinc/46/92/09/569469209.db2.gz BRCXYTUYOSBGMA-KRWDZBQOSA-N 0 0 440.905 2.913 50 0 IFAARN Cn1c(NCc2ccccc2Cl)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C ZINC000008642831 569469554 /nfs/dbraw/zinc/46/95/54/569469554.db2.gz BVAIJXUWDIGCMG-UHFFFAOYSA-N 0 0 427.867 2.887 50 0 IFAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1cc2ccccc2oc1=O ZINC000008661863 569469910 /nfs/dbraw/zinc/46/99/10/569469910.db2.gz HUYQWSCAQBJZAK-UHFFFAOYSA-N 0 0 439.424 2.799 50 0 IFAARN CCOC(=O)[C@@H](N(C)C(=O)OC(C)(C)C)[C@]1(O)C(=O)C(c2ccccc2)=C1OC(C)C ZINC000039013287 569470063 /nfs/dbraw/zinc/47/00/63/569470063.db2.gz WJKJYBOQTBBHPA-HXOBKFHXSA-N 0 0 433.501 2.935 50 0 IFAARN CC1=NN(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2[C@@H]1C ZINC000008706121 569470506 /nfs/dbraw/zinc/47/05/06/569470506.db2.gz VKQFWQVTWYTRMY-QGZVFWFLSA-N 0 0 428.496 2.902 50 0 IFAARN CS(=O)(=O)c1ccc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000008718589 569471349 /nfs/dbraw/zinc/47/13/49/569471349.db2.gz RPYPMAZHNVYNPV-UHFFFAOYSA-N 0 0 448.500 2.768 50 0 IFAARN CC[C@H](C)N(C(=O)CSc1nccn1-c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008724635 569471991 /nfs/dbraw/zinc/47/19/91/569471991.db2.gz PWWDVAATYKOJJK-YOEHRIQHSA-N 0 0 425.551 2.918 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(C(C)(C)C)=NN3Cc1c(F)cccc1Cl ZINC000008724522 569472026 /nfs/dbraw/zinc/47/20/26/569472026.db2.gz ODEMBMUGGAWDDC-UHFFFAOYSA-N 0 0 432.887 2.649 50 0 IFAARN Cn1c2nc(CN3CCCCC3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000008724975 569472069 /nfs/dbraw/zinc/47/20/69/569472069.db2.gz ACVYOCFXVIBNII-UHFFFAOYSA-N 0 0 436.343 2.775 50 0 IFAARN Cn1c2nc(CN3CCCCC3)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O ZINC000008724940 569472090 /nfs/dbraw/zinc/47/20/90/569472090.db2.gz XBWQSDYIOGSANT-UHFFFAOYSA-N 0 0 436.343 2.775 50 0 IFAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000008728250 569472438 /nfs/dbraw/zinc/47/24/38/569472438.db2.gz YPMQVUFRJJZNGO-IBGZPJMESA-N 0 0 443.525 2.523 50 0 IFAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)OCCNC(=O)c1cccnc1 ZINC000008735672 569472629 /nfs/dbraw/zinc/47/26/29/569472629.db2.gz XXSFPZQZYKVLAX-UHFFFAOYSA-N 0 0 431.448 2.584 50 0 IFAARN C[C@@H](OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)C(=O)Nc1ccc(F)cc1 ZINC000008746917 569473110 /nfs/dbraw/zinc/47/31/10/569473110.db2.gz JOFZASQDFYKKHR-LLVKDONJSA-N 0 0 449.485 2.621 50 0 IFAARN O=C(CN1CCc2sccc2[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008747950 569473165 /nfs/dbraw/zinc/47/31/65/569473165.db2.gz XGLQNXSWLWHGFO-QFIPXVFZSA-N 0 0 445.610 2.590 50 0 IFAARN COc1ccc(NC(=O)c2ccc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)cc2)cc1 ZINC000008749486 569473284 /nfs/dbraw/zinc/47/32/84/569473284.db2.gz IOXBWCHUQPIJPA-UHFFFAOYSA-N 0 0 444.447 2.589 50 0 IFAARN COc1ccc(CNC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)cc1OC ZINC000008751919 569473459 /nfs/dbraw/zinc/47/34/59/569473459.db2.gz VQZJPHMHJATPCA-UHFFFAOYSA-N 0 0 427.453 2.995 50 0 IFAARN COc1ccc(CNC(=O)Cc2c(C)c3cc(OC)c(OC)cc3oc2=O)cc1OC ZINC000008751924 569473464 /nfs/dbraw/zinc/47/34/64/569473464.db2.gz TUHVOYQJMICNPA-UHFFFAOYSA-N 0 0 427.453 2.995 50 0 IFAARN COc1cc(CNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)ccc1OCc1ccccc1 ZINC000008752164 569473512 /nfs/dbraw/zinc/47/35/12/569473512.db2.gz QWRBUMALBNFJPE-UHFFFAOYSA-N 0 0 445.475 2.594 50 0 IFAARN CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000008753650 569473746 /nfs/dbraw/zinc/47/37/46/569473746.db2.gz RXFXTJXIARCRRO-CYBMUJFWSA-N 0 0 446.558 2.552 50 0 IFAARN Cc1nn(S(=O)(=O)c2ccc(C)c(C)c2)c(C)c1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000008755221 569473944 /nfs/dbraw/zinc/47/39/44/569473944.db2.gz RZQRCJSXFRMWGS-ZDUSSCGKSA-N 0 0 425.576 2.774 50 0 IFAARN COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000008756224 569474094 /nfs/dbraw/zinc/47/40/94/569474094.db2.gz ZYAQOTBMQRJDBV-OAQYLSRUSA-N 0 0 444.553 2.751 50 0 IFAARN COc1ccccc1CNC(Nc1ccccc1Cl)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000008757643 569474158 /nfs/dbraw/zinc/47/41/58/569474158.db2.gz KIPMYUQOJMJNPT-UHFFFAOYSA-N 0 0 428.876 2.812 50 0 IFAARN COC[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000008763019 569474402 /nfs/dbraw/zinc/47/44/02/569474402.db2.gz FDALIFRVHFZOBT-OAHLLOKOSA-N 0 0 440.525 2.965 50 0 IFAARN COc1cc(NC(=O)CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc(OC)c1 ZINC000008764573 569474589 /nfs/dbraw/zinc/47/45/89/569474589.db2.gz ODPJLNZYNYYGBJ-UHFFFAOYSA-N 0 0 443.500 2.818 50 0 IFAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCNC(=O)c1ccncc1)OC(C)(C)CC3 ZINC000008764519 569474596 /nfs/dbraw/zinc/47/45/96/569474596.db2.gz HOPKZBRYJHSLJZ-UHFFFAOYSA-N 0 0 449.507 2.689 50 0 IFAARN COc1ccc(NC(=O)CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000008764331 569474610 /nfs/dbraw/zinc/47/46/10/569474610.db2.gz GVYPGOIJGDMLAA-UHFFFAOYSA-N 0 0 443.500 2.818 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)C(=O)Nc1ccc3c(c1)OCCO3)CC2 ZINC000008764591 569474640 /nfs/dbraw/zinc/47/46/40/569474640.db2.gz BHNZBBAZUZDDFY-AWEZNQCLSA-N 0 0 441.484 2.570 50 0 IFAARN CC(=O)N[C@@H]1[C@@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1cccc2ccccc21 ZINC000008765127 569474671 /nfs/dbraw/zinc/47/46/71/569474671.db2.gz QPPZFMUEXZZDBD-VRVGQERDSA-N 0 0 435.476 2.923 50 0 IFAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c(C)c21 ZINC000008764894 569474688 /nfs/dbraw/zinc/47/46/88/569474688.db2.gz WDQMALAQNAYLIS-HNNXBMFYSA-N 0 0 431.510 2.961 50 0 IFAARN COc1cc2c(c3oc(=O)c(CCC(=O)N(C)CC(=O)N(C)C)c(C)c13)CCC(C)(C)O2 ZINC000008765307 569474737 /nfs/dbraw/zinc/47/47/37/569474737.db2.gz RFUFOAQFELJEIU-UHFFFAOYSA-N 0 0 444.528 2.693 50 0 IFAARN COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000008768530 569475032 /nfs/dbraw/zinc/47/50/32/569475032.db2.gz CKHJHVVPWZDFCA-UHFFFAOYSA-N 0 0 436.486 2.513 50 0 IFAARN O=C(c1ccc(Br)o1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000008769317 569475073 /nfs/dbraw/zinc/47/50/73/569475073.db2.gz IBXBTSIJNOHIPA-UHFFFAOYSA-N 0 0 432.274 2.769 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCc4ccccc4)c3c2)C1 ZINC000008811283 569476574 /nfs/dbraw/zinc/47/65/74/569476574.db2.gz ZYYFDYUSFWKNNG-INIZCTEOSA-N 0 0 439.537 2.879 50 0 IFAARN Cc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)no1 ZINC000008825307 569477316 /nfs/dbraw/zinc/47/73/16/569477316.db2.gz LIXTXHRWAGIYBX-UHFFFAOYSA-N 0 0 449.529 2.689 50 0 IFAARN CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)s1 ZINC000008826008 569477482 /nfs/dbraw/zinc/47/74/82/569477482.db2.gz ZCMAYUQXXGWILX-UHFFFAOYSA-N 0 0 442.588 2.698 50 0 IFAARN CCCC(=O)N(c1ccc(OCC)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000008834611 569477950 /nfs/dbraw/zinc/47/79/50/569477950.db2.gz NMCVBLIDFRHZRN-UHFFFAOYSA-N 0 0 431.514 2.798 50 0 IFAARN COc1cc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCO)ccc1O ZINC000008845282 569478757 /nfs/dbraw/zinc/47/87/57/569478757.db2.gz KVLKBRORJHJJEL-HXUWFJFHSA-N 0 0 429.860 2.996 50 0 IFAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000008855769 569479730 /nfs/dbraw/zinc/47/97/30/569479730.db2.gz WTDGGKCNHBEYBF-HNNXBMFYSA-N 0 0 426.523 2.699 50 0 IFAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1ccco1 ZINC000008868242 569480398 /nfs/dbraw/zinc/48/03/98/569480398.db2.gz YHEJQEMBXIXYIJ-CQSZACIVSA-N 0 0 437.252 2.923 50 0 IFAARN Cc1cc(O[C@@H](C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(C)cc(=O)oc2c1 ZINC000008879208 569481329 /nfs/dbraw/zinc/48/13/29/569481329.db2.gz NIYUNFSVJZLKDB-KSZLIROESA-N 0 0 434.492 2.985 50 0 IFAARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC)c(OC)c3)[C@H]4C2=O)cc1 ZINC000008879492 569481369 /nfs/dbraw/zinc/48/13/69/569481369.db2.gz NKGOUZCCDHHQKG-KDNSLJGTSA-N 0 0 436.464 2.638 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000039476819 569481631 /nfs/dbraw/zinc/48/16/31/569481631.db2.gz PTZGAFGIDGHFJV-ZDUSSCGKSA-N 0 0 426.425 2.541 50 0 IFAARN CCOc1cc(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)F ZINC000039976672 569482185 /nfs/dbraw/zinc/48/21/85/569482185.db2.gz PBEVBOVHAWDJKV-CYBMUJFWSA-N 0 0 429.445 2.804 50 0 IFAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC000040005084 569482453 /nfs/dbraw/zinc/48/24/53/569482453.db2.gz VICZMBUBBGRWNI-CQSZACIVSA-N 0 0 430.482 2.843 50 0 IFAARN COCCn1c(=O)c2cc(Br)ccc2nc1S[C@H](C)C(=O)NC1CC1 ZINC000068888038 569482469 /nfs/dbraw/zinc/48/24/69/569482469.db2.gz GQBCITWROHZHLD-SNVBAGLBSA-N 0 0 426.336 2.565 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000040005101 569482479 /nfs/dbraw/zinc/48/24/79/569482479.db2.gz VROPWWVDYFWFSQ-ZDUSSCGKSA-N 0 0 435.406 2.649 50 0 IFAARN COc1cc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2ccc(F)cc2)C3)cc(OC)c1OC ZINC000008884033 569483117 /nfs/dbraw/zinc/48/31/17/569483117.db2.gz NNEFYICSZWEJSR-IBGZPJMESA-N 0 0 427.432 2.502 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)C1=O ZINC000040040052 569483391 /nfs/dbraw/zinc/48/33/91/569483391.db2.gz QTSCVFDTWAHSSR-VWLOTQADSA-N 0 0 449.507 2.671 50 0 IFAARN COc1cc(CCC2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc(OC)c1 ZINC000040039962 569483399 /nfs/dbraw/zinc/48/33/99/569483399.db2.gz UCIKUWQTZDZGMB-CALCHBBNSA-N 0 0 426.579 2.702 50 0 IFAARN O=C(CSc1nnc(Cc2ccccc2)o1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000008894805 569483731 /nfs/dbraw/zinc/48/37/31/569483731.db2.gz CPZJSSLSSILIIS-SFHVURJKSA-N 0 0 443.550 2.973 50 0 IFAARN CC(C)c1ccccc1-n1ccnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000008901023 569484279 /nfs/dbraw/zinc/48/42/79/569484279.db2.gz KELNKYDPPAABLX-UHFFFAOYSA-N 0 0 425.514 2.738 50 0 IFAARN CC(C)c1cccc(N2C[C@@H](C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2=O)c1 ZINC000040058962 569484662 /nfs/dbraw/zinc/48/46/62/569484662.db2.gz UHGRUEZUMHDLLT-SFHVURJKSA-N 0 0 440.544 2.534 50 0 IFAARN CC(C)c1cccc(N2C[C@H](C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2=O)c1 ZINC000040058961 569484693 /nfs/dbraw/zinc/48/46/93/569484693.db2.gz UHGRUEZUMHDLLT-GOSISDBHSA-N 0 0 440.544 2.534 50 0 IFAARN CCOCCCNc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008912363 569485037 /nfs/dbraw/zinc/48/50/37/569485037.db2.gz BXQUDATYJZKUKW-UHFFFAOYSA-N 0 0 438.980 2.871 50 0 IFAARN Cc1ccccc1C(=O)N[C@@H](C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1)C(C)C ZINC000040069385 569485338 /nfs/dbraw/zinc/48/53/38/569485338.db2.gz DDJDZAOQYVEVEX-OAQYLSRUSA-N 0 0 445.585 2.753 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000040071354 569485714 /nfs/dbraw/zinc/48/57/14/569485714.db2.gz HPFUPACFUQGXII-UHFFFAOYSA-N 0 0 448.589 2.682 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cn(-c4ccccc4)nn3)cc2)CC1 ZINC000040073540 569486149 /nfs/dbraw/zinc/48/61/49/569486149.db2.gz YBBVMFROSHBOBU-UHFFFAOYSA-N 0 0 425.514 2.940 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCOc2cccc3c2OC(C)(C)C3)c1 ZINC000040074738 569486319 /nfs/dbraw/zinc/48/63/19/569486319.db2.gz BPVCUQCSBAHVLV-UHFFFAOYSA-N 0 0 446.569 2.881 50 0 IFAARN CCn1c2ccc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)cc2[nH]c(=O)c1=O ZINC000040081822 569486594 /nfs/dbraw/zinc/48/65/94/569486594.db2.gz KCSZBVJDKOETNM-LJQANCHMSA-N 0 0 443.507 2.762 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cn1)c1cn(-c2cccc(Br)c2)nn1 ZINC000040086654 569486710 /nfs/dbraw/zinc/48/67/10/569486710.db2.gz UZQFKVOLGYBXNB-UHFFFAOYSA-N 0 0 429.278 2.514 50 0 IFAARN CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000040087669 569486765 /nfs/dbraw/zinc/48/67/65/569486765.db2.gz PKUWXNBKAWJDBF-INIZCTEOSA-N 0 0 426.579 2.969 50 0 IFAARN O=C(CCCc1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000040086963 569486767 /nfs/dbraw/zinc/48/67/67/569486767.db2.gz RXTYYJNKEMTLPQ-UHFFFAOYSA-N 0 0 430.505 2.558 50 0 IFAARN CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC000008924004 569487103 /nfs/dbraw/zinc/48/71/03/569487103.db2.gz QRLGQGUMIOZWTK-DNVCBOLYSA-N 0 0 429.498 2.540 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nnc(C3CCCCC3)o2)cc1 ZINC000008928135 569487348 /nfs/dbraw/zinc/48/73/48/569487348.db2.gz SJDGQENAXHLVKJ-KRWDZBQOSA-N 0 0 434.518 2.918 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN(c3nn4c(nc(C)cc4=O)s3)C2)cc1Cl ZINC000008933787 569487839 /nfs/dbraw/zinc/48/78/39/569487839.db2.gz BUUDQXSNRZOOTA-LBPRGKRZSA-N 0 0 433.921 2.977 50 0 IFAARN O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933718 569487845 /nfs/dbraw/zinc/48/78/45/569487845.db2.gz IZAGZQPCAQAAMB-NRFANRHFSA-N 0 0 447.539 2.810 50 0 IFAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000008933630 569487858 /nfs/dbraw/zinc/48/78/58/569487858.db2.gz HLASKBHJZSJXSC-UHFFFAOYSA-N 0 0 447.539 2.682 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@H]3C(=O)NCc3ccc(OC(C)C)cc3)sc2n1 ZINC000008933837 569487902 /nfs/dbraw/zinc/48/79/02/569487902.db2.gz SVKYFIWRIIYIHC-KRWDZBQOSA-N 0 0 427.530 2.532 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3Br)sc2n1 ZINC000008933839 569487933 /nfs/dbraw/zinc/48/79/33/569487933.db2.gz UXJXEYIPTPVTEC-CQSZACIVSA-N 0 0 448.346 2.507 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)OCCCO4)CC2)s1 ZINC000040103829 569488115 /nfs/dbraw/zinc/48/81/15/569488115.db2.gz MUYLEJZYFKQJJP-UHFFFAOYSA-N 0 0 437.543 2.756 50 0 IFAARN O=C(NC[C@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000008938974 569488208 /nfs/dbraw/zinc/48/82/08/569488208.db2.gz KDPCVHOESUNZQV-SFHVURJKSA-N 0 0 430.526 2.821 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000040105679 569488304 /nfs/dbraw/zinc/48/83/04/569488304.db2.gz ZATRXEIVFJODQG-HNNXBMFYSA-N 0 0 431.436 2.952 50 0 IFAARN COCCn1nc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)ccc1=O ZINC000040107630 569488482 /nfs/dbraw/zinc/48/84/82/569488482.db2.gz JCLPETUQBJNQBB-UHFFFAOYSA-N 0 0 425.529 2.823 50 0 IFAARN CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OCCC(C)C)c(OC)c2)CC1 ZINC000040108204 569488548 /nfs/dbraw/zinc/48/85/48/569488548.db2.gz XOQYSYPHABLPGO-UHFFFAOYSA-N 0 0 426.579 2.798 50 0 IFAARN COc1cccc(C(=O)NCCn2ncc3c2nc(SC)nc3NC(C)C)c1OC ZINC000008941361 569488594 /nfs/dbraw/zinc/48/85/94/569488594.db2.gz YGQYJFDZLORMMR-UHFFFAOYSA-N 0 0 430.534 2.816 50 0 IFAARN COCCNc1nc(SC)nc2c1cnn2CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008943278 569488793 /nfs/dbraw/zinc/48/87/93/569488793.db2.gz AEFAWDHCTCOCAT-UHFFFAOYSA-N 0 0 444.605 2.939 50 0 IFAARN COc1cc([C@H](C)NC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC ZINC000040111822 569488890 /nfs/dbraw/zinc/48/88/90/569488890.db2.gz AGJZLIDWTXHOFX-AWEZNQCLSA-N 0 0 426.469 2.884 50 0 IFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000008944440 569488956 /nfs/dbraw/zinc/48/89/56/569488956.db2.gz ICBLDBUWFBKEJA-HZPDHXFCSA-N 0 0 447.532 2.636 50 0 IFAARN CC(C)CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 ZINC000040117077 569489315 /nfs/dbraw/zinc/48/93/15/569489315.db2.gz FVWBOFIBIQFRBK-UHFFFAOYSA-N 0 0 436.574 2.896 50 0 IFAARN CN(C(=O)CCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000040121233 569489540 /nfs/dbraw/zinc/48/95/40/569489540.db2.gz YYMRCAIGGKOWCG-IBGZPJMESA-N 0 0 425.504 2.776 50 0 IFAARN COc1ccc(NC(=O)NCc2cccnc2N2CCOCC2)cc1N1CCCCC1=O ZINC000040121330 569489592 /nfs/dbraw/zinc/48/95/92/569489592.db2.gz ZNHKYXXSYYKUNS-UHFFFAOYSA-N 0 0 439.516 2.765 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CS[C@H]3c4ccc(OC)c(OC)c4C(=O)N23)cc1OC ZINC000008952504 569490004 /nfs/dbraw/zinc/49/00/04/569490004.db2.gz ADUXTQYONUYMTA-FPTDNZKUSA-N 0 0 444.509 2.607 50 0 IFAARN Cc1oc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000040132609 569490388 /nfs/dbraw/zinc/49/03/88/569490388.db2.gz VKPMXEGHJPUARJ-UHFFFAOYSA-N 0 0 428.514 2.531 50 0 IFAARN CCCCCn1nc(C(=O)Nc2ccccc2CN2C(=O)CNC2=O)c2ccccc2c1=O ZINC000040134838 569490586 /nfs/dbraw/zinc/49/05/86/569490586.db2.gz UTMILGFLGIDVJZ-UHFFFAOYSA-N 0 0 447.495 2.891 50 0 IFAARN CCOC(=O)c1cc(C)n(CC(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1C ZINC000040135129 569490631 /nfs/dbraw/zinc/49/06/31/569490631.db2.gz SXURHQXKAVJXQZ-UHFFFAOYSA-N 0 0 440.544 2.678 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cc(-c3nnco3)ccc1=O)C[C@@H](C)CC2 ZINC000040139003 569490778 /nfs/dbraw/zinc/49/07/78/569490778.db2.gz HWJKIZRGEBRLNE-LBPRGKRZSA-N 0 0 442.497 2.900 50 0 IFAARN CN(Cc1ccccc1)C(=O)N1CCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000040135673 569490789 /nfs/dbraw/zinc/49/07/89/569490789.db2.gz ZJHRYQPJFMHCFM-UHFFFAOYSA-N 0 0 442.947 2.856 50 0 IFAARN Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008965525 569491519 /nfs/dbraw/zinc/49/15/19/569491519.db2.gz XMDUCWWDLMSSEV-UHFFFAOYSA-N 0 0 441.509 2.601 50 0 IFAARN Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1S(C)(=O)=O ZINC000040140895 569491625 /nfs/dbraw/zinc/49/16/25/569491625.db2.gz KIYAAKYBCLDNPJ-UHFFFAOYSA-N 0 0 427.448 2.775 50 0 IFAARN C[C@@H](SCc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000040143386 569491929 /nfs/dbraw/zinc/49/19/29/569491929.db2.gz PAPMAKVSWXHULF-UTKZUKDTSA-N 0 0 426.538 2.819 50 0 IFAARN C[C@@H](SCc1ccccc1)C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000040143390 569491960 /nfs/dbraw/zinc/49/19/60/569491960.db2.gz PAPMAKVSWXHULF-DYESRHJHSA-N 0 0 426.538 2.819 50 0 IFAARN Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000040143534 569491974 /nfs/dbraw/zinc/49/19/74/569491974.db2.gz XVQKIKLNHNCPFC-UHFFFAOYSA-N 0 0 427.480 2.703 50 0 IFAARN CCOc1ccc(NC(=O)c2sc(-c3ncccn3)nc2C)cc1S(=O)(=O)N(C)C ZINC000040146577 569492282 /nfs/dbraw/zinc/49/22/82/569492282.db2.gz OGLLQPKJEGSAOK-UHFFFAOYSA-N 0 0 447.542 2.810 50 0 IFAARN O=C(NCC1CC1)[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000040146794 569492375 /nfs/dbraw/zinc/49/23/75/569492375.db2.gz SGACVXOFSUNKNR-IBGZPJMESA-N 0 0 431.964 2.957 50 0 IFAARN CN(CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccc(Cl)cn1 ZINC000040149041 569492399 /nfs/dbraw/zinc/49/23/99/569492399.db2.gz LWULUWDPBIBGGG-UHFFFAOYSA-N 0 0 436.343 2.608 50 0 IFAARN Cc1cccc(NC(=O)[C@@H]2CCCN(CC(=O)Nc3ccccc3N3CCCC3=O)C2)n1 ZINC000040149582 569492502 /nfs/dbraw/zinc/49/25/02/569492502.db2.gz YKQXGZRXGMZYBQ-GOSISDBHSA-N 0 0 435.528 2.806 50 0 IFAARN Cc1cccc(NC(=O)[C@H]2CCCN(CC(=O)Nc3ccccc3N3CCCC3=O)C2)n1 ZINC000040149583 569492525 /nfs/dbraw/zinc/49/25/25/569492525.db2.gz YKQXGZRXGMZYBQ-SFHVURJKSA-N 0 0 435.528 2.806 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000008972048 569492727 /nfs/dbraw/zinc/49/27/27/569492727.db2.gz YVQDLJYUKHNMHC-BTYIYWSLSA-N 0 0 428.416 2.950 50 0 IFAARN COc1cccc(CNC(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCS4)c1 ZINC000008974730 569492958 /nfs/dbraw/zinc/49/29/58/569492958.db2.gz QIEGFTIZFWABKD-UHFFFAOYSA-N 0 0 438.484 2.921 50 0 IFAARN O=C(COc1cccc(Br)c1)N1CCC[C@H](C(=O)Nc2nncs2)C1 ZINC000040151012 569493198 /nfs/dbraw/zinc/49/31/98/569493198.db2.gz LQWFQXBQHOBBRM-NSHDSACASA-N 0 0 425.308 2.557 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC(C(=O)Nc2cnccn2)CC1 ZINC000040151449 569493281 /nfs/dbraw/zinc/49/32/81/569493281.db2.gz FTZHELBJDKQHTL-ZDUSSCGKSA-N 0 0 432.322 2.917 50 0 IFAARN NC(=O)[C@@H]1CCCN1C(=O)C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000040151682 569493328 /nfs/dbraw/zinc/49/33/28/569493328.db2.gz MCWQNPKDOFHFAZ-QFIPXVFZSA-N 0 0 435.524 2.594 50 0 IFAARN CNC(=O)c1cc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)ccc1Cl ZINC000040151956 569493371 /nfs/dbraw/zinc/49/33/71/569493371.db2.gz ZEVMFLFXVIYUHF-GTJPDFRWSA-N 0 0 434.924 2.775 50 0 IFAARN COc1ccc(NC(=O)NC(=O)COC(=O)c2cc(C)cc(Br)c2O)cc1 ZINC000040151892 569493378 /nfs/dbraw/zinc/49/33/78/569493378.db2.gz QEHZJAADBNUXDC-UHFFFAOYSA-N 0 0 437.246 2.977 50 0 IFAARN NC(=O)CN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(Br)cc1 ZINC000040152856 569493561 /nfs/dbraw/zinc/49/35/61/569493561.db2.gz NDUJKXBRFLZECC-UHFFFAOYSA-N 0 0 442.260 2.977 50 0 IFAARN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000040153907 569493709 /nfs/dbraw/zinc/49/37/09/569493709.db2.gz VEIYSLDZPGRYFJ-AWEZNQCLSA-N 0 0 425.407 2.641 50 0 IFAARN CNC(=O)C1(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCCCC1 ZINC000040155252 569493883 /nfs/dbraw/zinc/49/38/83/569493883.db2.gz HWSANKPWBLPKQF-UHFFFAOYSA-N 0 0 433.505 2.805 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000040155974 569494043 /nfs/dbraw/zinc/49/40/43/569494043.db2.gz IHUIHKVRXNAWAD-UHFFFAOYSA-N 0 0 438.553 2.978 50 0 IFAARN CSCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000040156181 569494080 /nfs/dbraw/zinc/49/40/80/569494080.db2.gz GJQRZPAHKGJJOY-HNAYVOBHSA-N 0 0 446.598 2.981 50 0 IFAARN CC(C)(C)OC(=O)N1[C@@H](CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)COC1(C)C ZINC000040157833 569494403 /nfs/dbraw/zinc/49/44/03/569494403.db2.gz RKVIBYRGJTUSHT-CHWSQXEVSA-N 0 0 447.579 2.511 50 0 IFAARN O=C1C(=O)N(Cc2nnc(-c3ccccc3Br)o2)C(=O)N1Cc1ccco1 ZINC000008985563 569494860 /nfs/dbraw/zinc/49/48/60/569494860.db2.gz WPFUXOBMGAYOIE-UHFFFAOYSA-N 0 0 431.202 2.583 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000040161253 569495134 /nfs/dbraw/zinc/49/51/34/569495134.db2.gz FHJMPBOOGWTJPU-OALUTQOASA-N 0 0 447.576 2.658 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000040161679 569495174 /nfs/dbraw/zinc/49/51/74/569495174.db2.gz JKGVMAINOIRUAE-UHFFFAOYSA-N 0 0 440.399 2.849 50 0 IFAARN CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccn2)c(=O)n3CCN2CCCCC2)CO1 ZINC000008993036 569495424 /nfs/dbraw/zinc/49/54/24/569495424.db2.gz MWOFKZQITCJGJH-UHFFFAOYSA-N 0 0 440.569 2.946 50 0 IFAARN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1OC ZINC000008995881 569495689 /nfs/dbraw/zinc/49/56/89/569495689.db2.gz QDMVQWWUPGZAIN-UHFFFAOYSA-N 0 0 446.485 2.533 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)Cn1c2cccnc2c(=O)n(Cc2ccncc2)c1=O ZINC000009001518 569495997 /nfs/dbraw/zinc/49/59/97/569495997.db2.gz VZDKIRAGLIESMH-UHFFFAOYSA-N 0 0 435.871 2.602 50 0 IFAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccccc2)c2cccnc2)cc1 ZINC000009006550 569496136 /nfs/dbraw/zinc/49/61/36/569496136.db2.gz LAQRAPRIEHSZAP-OAQYLSRUSA-N 0 0 426.494 2.800 50 0 IFAARN CCOc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2cccc(OC)c2)cc1 ZINC000009009767 569496420 /nfs/dbraw/zinc/49/64/20/569496420.db2.gz YRUVRDUCVLYZKM-UHFFFAOYSA-N 0 0 445.479 2.750 50 0 IFAARN COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCC[C@@H]43)C2=O)cc1OC ZINC000009011990 569496548 /nfs/dbraw/zinc/49/65/48/569496548.db2.gz PWMQBAAJQGLVMB-BWKNWUBXSA-N 0 0 449.507 2.536 50 0 IFAARN CCOc1ccc(C(=O)NCCn2ncc3c2ncn(Cc2ccc(C)cc2)c3=O)cc1 ZINC000009016257 569496767 /nfs/dbraw/zinc/49/67/67/569496767.db2.gz NXXXUNBQTXEUQN-UHFFFAOYSA-N 0 0 431.496 2.778 50 0 IFAARN O=C(CCCc1ccccc1)NCCn1ncc2c1ncn(Cc1cccc(F)c1)c2=O ZINC000009016722 569496836 /nfs/dbraw/zinc/49/68/36/569496836.db2.gz TXSGXCGNEFQCGW-UHFFFAOYSA-N 0 0 433.487 2.920 50 0 IFAARN COc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(Br)cc3)CC2=O)cc1 ZINC000009035654 569497243 /nfs/dbraw/zinc/49/72/43/569497243.db2.gz YOPOCYDMUOCBLI-ZDUSSCGKSA-N 0 0 439.331 2.789 50 0 IFAARN CO[C@@H]1CCN(c2ccc(C(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)cc2)C1 ZINC000245174043 569498023 /nfs/dbraw/zinc/49/80/23/569498023.db2.gz YHSNRHSEURHWGO-HXUWFJFHSA-N 0 0 428.554 2.990 50 0 IFAARN CCn1nc(C)c(CNC(=O)c2nc(CC(=O)Nc3cccc4ncccc43)no2)c1C ZINC000040286940 569498109 /nfs/dbraw/zinc/49/81/09/569498109.db2.gz CJOGNTMCYOFOFM-UHFFFAOYSA-N 0 0 433.472 2.562 50 0 IFAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NC(=O)NCc1ccccc1 ZINC000009050072 569498633 /nfs/dbraw/zinc/49/86/33/569498633.db2.gz GMUZNHVOSRXDSI-UHFFFAOYSA-N 0 0 434.481 2.639 50 0 IFAARN Cc1ccc(-c2cc(NC(=O)COC(=O)Cn3nc(-c4ccccc4)oc3=O)on2)cc1 ZINC000009050946 569498668 /nfs/dbraw/zinc/49/86/68/569498668.db2.gz NOLFTUJGLOCUGN-UHFFFAOYSA-N 0 0 434.408 2.649 50 0 IFAARN O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccccc1C(=O)NC1CC1 ZINC000009056511 569499032 /nfs/dbraw/zinc/49/90/32/569499032.db2.gz VBQVKNUJQQUXIK-ZDUSSCGKSA-N 0 0 433.559 2.752 50 0 IFAARN Cc1nc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)cs1 ZINC000009056899 569499152 /nfs/dbraw/zinc/49/91/52/569499152.db2.gz SNJHPQVJQBHLGK-UHFFFAOYSA-N 0 0 438.556 2.815 50 0 IFAARN Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2ccc4c(c2)OCO4)OCC3)c(=O)n(C)c1=O ZINC000009058840 569499300 /nfs/dbraw/zinc/49/93/00/569499300.db2.gz JPHHVRWWYWAJTF-QFIPXVFZSA-N 0 0 431.448 2.554 50 0 IFAARN COc1ccc2c(CCNC(=O)CSc3nnnn3-c3cccc(OC)c3)c[nH]c2c1 ZINC000009059169 569499331 /nfs/dbraw/zinc/49/93/31/569499331.db2.gz HQEPEYDSDABYJM-UHFFFAOYSA-N 0 0 438.513 2.612 50 0 IFAARN CC[C@]1(c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CCC(=O)NC1=O ZINC000009060561 569499478 /nfs/dbraw/zinc/49/94/78/569499478.db2.gz XYYKDTAQDAWORL-OAQYLSRUSA-N 0 0 429.498 2.530 50 0 IFAARN CC(=O)N1CCN(C(=O)c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000040355574 569499785 /nfs/dbraw/zinc/49/97/85/569499785.db2.gz PCVZZMKOIXOGAX-UHFFFAOYSA-N 0 0 426.420 2.719 50 0 IFAARN CC(=O)N[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@H]1Oc1ccc(C(C)(C)C)cc1 ZINC000245228774 569499927 /nfs/dbraw/zinc/49/99/27/569499927.db2.gz FKJUUKVGJGPQSF-FACDWMFESA-N 0 0 431.485 2.661 50 0 IFAARN CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@H]1Oc1ccc(C(C)(C)C)cc1 ZINC000245228776 569499934 /nfs/dbraw/zinc/49/99/34/569499934.db2.gz FKJUUKVGJGPQSF-VEYVBMQYSA-N 0 0 431.485 2.661 50 0 IFAARN Cc1ccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)cc1 ZINC000009095296 569501334 /nfs/dbraw/zinc/50/13/34/569501334.db2.gz DUYAERIVJFYMDU-UHFFFAOYSA-N 0 0 440.525 2.762 50 0 IFAARN C[C@@H]1CCC[C@@H](N(C)C(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)[C@H]1C ZINC000245257635 569501567 /nfs/dbraw/zinc/50/15/67/569501567.db2.gz AUBWPDKSHPEXHX-SOLBZPMBSA-N 0 0 449.573 2.662 50 0 IFAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000009103902 569501788 /nfs/dbraw/zinc/50/17/88/569501788.db2.gz CJQLINDQZHBEMD-ZIAGYGMSSA-N 0 0 429.498 2.839 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000009114757 569502657 /nfs/dbraw/zinc/50/26/57/569502657.db2.gz NPCYBANIUDLSFA-GFCCVEGCSA-N 0 0 436.563 2.600 50 0 IFAARN Cn1c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21 ZINC000009115690 569502821 /nfs/dbraw/zinc/50/28/21/569502821.db2.gz FCBUQDPLLFTWSY-SFHVURJKSA-N 0 0 432.933 2.696 50 0 IFAARN COCCCNC(=O)C1CCN(c2nn3cc(-c4ccc(OC)cc4)nc3s2)CC1 ZINC000009117375 569503122 /nfs/dbraw/zinc/50/31/22/569503122.db2.gz WDVCZHAJCYMPQQ-UHFFFAOYSA-N 0 0 429.546 2.836 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)Nc3ccc(C)cn3)C(C)C)cc2C[C@H]1C ZINC000009118206 569503241 /nfs/dbraw/zinc/50/32/41/569503241.db2.gz DYOJRGVZQGDGAZ-VFNWGFHPSA-N 0 0 444.557 2.629 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)Nc3cccc(C)n3)C(C)C)cc2C[C@H]1C ZINC000009118210 569503285 /nfs/dbraw/zinc/50/32/85/569503285.db2.gz HBOVVHUEZANIMY-QVKFZJNVSA-N 0 0 444.557 2.629 50 0 IFAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009119637 569503560 /nfs/dbraw/zinc/50/35/60/569503560.db2.gz CVIBTOHLUZFZAI-UHFFFAOYSA-N 0 0 440.525 2.669 50 0 IFAARN COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnc(Cc2ccccc2)n1C ZINC000009119693 569503585 /nfs/dbraw/zinc/50/35/85/569503585.db2.gz XBYWNCVAOLSSSQ-UHFFFAOYSA-N 0 0 432.527 2.915 50 0 IFAARN COc1ccccc1CN(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000009119632 569503597 /nfs/dbraw/zinc/50/35/97/569503597.db2.gz OXLAHEWMXXOGIK-UHFFFAOYSA-N 0 0 425.938 2.669 50 0 IFAARN Cn1nc(Sc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000009120231 569503782 /nfs/dbraw/zinc/50/37/82/569503782.db2.gz CTBNOHHANHJYOS-UHFFFAOYSA-N 0 0 426.889 2.531 50 0 IFAARN O=C(CNc1cccc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009121284 569504133 /nfs/dbraw/zinc/50/41/33/569504133.db2.gz WOFQETAWKIJYJM-UHFFFAOYSA-N 0 0 425.510 2.911 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000009124843 569504440 /nfs/dbraw/zinc/50/44/40/569504440.db2.gz RHQBHDPBHBUSMU-PXNSSMCTSA-N 0 0 448.523 2.887 50 0 IFAARN CCOc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)CC1=O ZINC000009126218 569504880 /nfs/dbraw/zinc/50/48/80/569504880.db2.gz RVXRKYYKQZFIFD-HXUWFJFHSA-N 0 0 435.524 2.990 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1c(C)noc1C ZINC000009126405 569504906 /nfs/dbraw/zinc/50/49/06/569504906.db2.gz UFUXGDXEOPKOTE-UHFFFAOYSA-N 0 0 436.559 2.974 50 0 IFAARN Cc1nc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[nH]c1Cc1ccccc1 ZINC000009126537 569505003 /nfs/dbraw/zinc/50/50/03/569505003.db2.gz HXNKXVOMEJWKTH-UHFFFAOYSA-N 0 0 427.530 2.687 50 0 IFAARN CCCCN1C(=O)c2ccc(C(=O)OCCNS(=O)(=O)c3ccc(C)cc3)cc2C1=O ZINC000009126607 569505012 /nfs/dbraw/zinc/50/50/12/569505012.db2.gz AIHYIGPEZQMZFT-UHFFFAOYSA-N 0 0 444.509 2.526 50 0 IFAARN CCOc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(F)cc2)cc1 ZINC000009126740 569505027 /nfs/dbraw/zinc/50/50/27/569505027.db2.gz NMDXYDVAQHJFNI-UHFFFAOYSA-N 0 0 433.443 2.880 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccccc1C(C)=O ZINC000009126791 569505052 /nfs/dbraw/zinc/50/50/52/569505052.db2.gz RUVYZHWNIJOEEJ-UHFFFAOYSA-N 0 0 432.527 2.637 50 0 IFAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCn1nnc2ccccc2c1=O ZINC000009128243 569505352 /nfs/dbraw/zinc/50/53/52/569505352.db2.gz YAOCNUWSVYTHOA-SFHVURJKSA-N 0 0 428.876 2.790 50 0 IFAARN CCOc1ccc(CNC(=O)CN2CCn3nc(-c4ccc(OC)cc4)cc3C2=O)cc1 ZINC000040451159 569506481 /nfs/dbraw/zinc/50/64/81/569506481.db2.gz DCBPRRDHZVJGHD-UHFFFAOYSA-N 0 0 434.496 2.730 50 0 IFAARN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)C1 ZINC000069460025 569506608 /nfs/dbraw/zinc/50/66/08/569506608.db2.gz UCCHDIOECLZSDC-ZDUSSCGKSA-N 0 0 445.467 2.684 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1ccccc1Cl ZINC000040478065 569506655 /nfs/dbraw/zinc/50/66/55/569506655.db2.gz OFLATRVKOQLYCH-UHFFFAOYSA-N 0 0 430.802 2.607 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NCc1ccc(Cl)cc1 ZINC000040478004 569506678 /nfs/dbraw/zinc/50/66/78/569506678.db2.gz JQERTRLZUGBCDW-UHFFFAOYSA-N 0 0 443.294 2.660 50 0 IFAARN CCN(Cc1ccccc1)C(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O ZINC000040477232 569506680 /nfs/dbraw/zinc/50/66/80/569506680.db2.gz COJFRPUNGVXDSD-UHFFFAOYSA-N 0 0 436.903 2.738 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCc3ccccc32)o1 ZINC000069535735 569506899 /nfs/dbraw/zinc/50/68/99/569506899.db2.gz AAKJHFCIDJEPLO-MSOLQXFVSA-N 0 0 446.525 2.803 50 0 IFAARN COC(=O)C1CCN(C(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)CC1 ZINC000009131462 569506941 /nfs/dbraw/zinc/50/69/41/569506941.db2.gz XMRKKHMUWBTIEM-OAHLLOKOSA-N 0 0 431.489 2.976 50 0 IFAARN COC(=O)C1CCN(C(=O)[C@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)CC1 ZINC000009131463 569506957 /nfs/dbraw/zinc/50/69/57/569506957.db2.gz XMRKKHMUWBTIEM-HNNXBMFYSA-N 0 0 431.489 2.976 50 0 IFAARN CCn1cc(C(=O)N[C@H](C(=O)Nc2nccs2)C(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000009133919 569506970 /nfs/dbraw/zinc/50/69/70/569506970.db2.gz YFUONMBGKCJJJX-KRWDZBQOSA-N 0 0 442.497 2.600 50 0 IFAARN O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009134086 569506978 /nfs/dbraw/zinc/50/69/78/569506978.db2.gz ZLSZFBOHRMTNPK-KRWDZBQOSA-N 0 0 427.526 2.853 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1cc(=O)n2ccsc2n1 ZINC000009139975 569507283 /nfs/dbraw/zinc/50/72/83/569507283.db2.gz ANEFSANHGUEEJW-UHFFFAOYSA-N 0 0 448.570 2.941 50 0 IFAARN COc1ccc(OC)c(NC(=O)C[C@@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 ZINC000009151775 569507561 /nfs/dbraw/zinc/50/75/61/569507561.db2.gz IBVFWDZUNVBGEI-CYBMUJFWSA-N 0 0 448.497 2.534 50 0 IFAARN COc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1Cl ZINC000009151652 569507578 /nfs/dbraw/zinc/50/75/78/569507578.db2.gz FLKGQLZSGSLQPV-NSHDSACASA-N 0 0 438.889 2.871 50 0 IFAARN Cc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1S(=O)(=O)NCc1ccccc1 ZINC000009156467 569508335 /nfs/dbraw/zinc/50/83/35/569508335.db2.gz QLVHXFZIIJYNCQ-UHFFFAOYSA-N 0 0 448.508 2.702 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2cccc(Cl)c2)c1=O)CCCN3Cc1ccco1 ZINC000009156822 569508353 /nfs/dbraw/zinc/50/83/53/569508353.db2.gz VYYFGBYVEJHLKL-UHFFFAOYSA-N 0 0 425.876 2.602 50 0 IFAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NC(=O)Nc2ccc(C)cc2C)C1=O ZINC000009170053 569509257 /nfs/dbraw/zinc/50/92/57/569509257.db2.gz RYOIJGAARHNELB-QHCPKHFHSA-N 0 0 438.484 2.817 50 0 IFAARN CC(=O)N[C@H](CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 ZINC000069620530 569509875 /nfs/dbraw/zinc/50/98/75/569509875.db2.gz LSALAGKASSQRBQ-HXUWFJFHSA-N 0 0 443.931 2.980 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)CSc2ncc(C(=O)OCC)c(N)n2)cc1 ZINC000009184971 569509967 /nfs/dbraw/zinc/50/99/67/569509967.db2.gz PAIIAZXRZSHODF-UHFFFAOYSA-N 0 0 432.502 2.923 50 0 IFAARN C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc(F)cc1 ZINC000009187569 569510393 /nfs/dbraw/zinc/51/03/93/569510393.db2.gz ZTYHGZRFOGSEPX-PFDOBSCMSA-N 0 0 441.528 2.995 50 0 IFAARN Cc1cccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000009190083 569510509 /nfs/dbraw/zinc/51/05/09/569510509.db2.gz FDPULYQGHYSUII-UHFFFAOYSA-N 0 0 434.905 2.635 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)c1 ZINC000009190125 569510540 /nfs/dbraw/zinc/51/05/40/569510540.db2.gz WUKMYDOOPORTFC-YOEHRIQHSA-N 0 0 431.562 2.792 50 0 IFAARN CC(C)CCNc1nc2c(c(=O)n(Cc3ccc(Br)cc3)c(=O)n2C)n1C ZINC000009190849 569510569 /nfs/dbraw/zinc/51/05/69/569510569.db2.gz COPQCHRWPQLPIW-UHFFFAOYSA-N 0 0 434.338 2.703 50 0 IFAARN C[C@@H](OC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O)C(N)=O ZINC000009195591 569510965 /nfs/dbraw/zinc/51/09/65/569510965.db2.gz HDRVGIYUZOHUPP-CYBMUJFWSA-N 0 0 447.413 2.813 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)n1nc(-c2cccnc2)nc1NCc1cccs1 ZINC000009195177 569511009 /nfs/dbraw/zinc/51/10/09/569511009.db2.gz QQZPIOUTIZTQPQ-UHFFFAOYSA-N 0 0 444.476 2.950 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1S(=O)(=O)NC1CC1 ZINC000009219932 569512574 /nfs/dbraw/zinc/51/25/74/569512574.db2.gz AJJAJACPJCHCNN-HNNXBMFYSA-N 0 0 440.525 2.813 50 0 IFAARN CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N(C)C)cc1 ZINC000009221036 569512611 /nfs/dbraw/zinc/51/26/11/569512611.db2.gz UGXMCONZZQTVGC-QGZVFWFLSA-N 0 0 432.571 2.552 50 0 IFAARN CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N(C)C)cc1 ZINC000009221037 569512644 /nfs/dbraw/zinc/51/26/44/569512644.db2.gz UGXMCONZZQTVGC-KRWDZBQOSA-N 0 0 432.571 2.552 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCc4ccccc43)CC2=O)cc1 ZINC000009223098 569512909 /nfs/dbraw/zinc/51/29/09/569512909.db2.gz UULFUWJQQSIIJX-GOSISDBHSA-N 0 0 441.553 2.659 50 0 IFAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)O[C@@H]1CCS(=O)(=O)C1 ZINC000009223354 569512957 /nfs/dbraw/zinc/51/29/57/569512957.db2.gz XKCAECQIHKHXDS-QGZVFWFLSA-N 0 0 447.513 2.896 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009225992 569513255 /nfs/dbraw/zinc/51/32/55/569513255.db2.gz MBKRFJREDZQINJ-UHFFFAOYSA-N 0 0 432.498 2.568 50 0 IFAARN CCN(CC)C(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)c(Br)c1 ZINC000009238838 569514386 /nfs/dbraw/zinc/51/43/86/569514386.db2.gz YZFNBONPRWVJSB-LSDHHAIUSA-N 0 0 440.367 2.985 50 0 IFAARN CCc1nnc(NC(=O)CSc2nnc3ccc(-c4ccc(OC)cc4)nn32)s1 ZINC000009240792 569514657 /nfs/dbraw/zinc/51/46/57/569514657.db2.gz WFLCOIRMZOKLDV-UHFFFAOYSA-N 0 0 427.515 2.945 50 0 IFAARN COc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)c1 ZINC000009242746 569514704 /nfs/dbraw/zinc/51/47/04/569514704.db2.gz KTIHCHPZEGYXPB-UHFFFAOYSA-N 0 0 437.887 2.759 50 0 IFAARN COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C ZINC000009243216 569514862 /nfs/dbraw/zinc/51/48/62/569514862.db2.gz LOMBLRDRVHSLTJ-UHFFFAOYSA-N 0 0 437.887 2.759 50 0 IFAARN CCOc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000009245298 569515246 /nfs/dbraw/zinc/51/52/46/569515246.db2.gz ATXXARSQSGYFGR-UHFFFAOYSA-N 0 0 432.542 2.687 50 0 IFAARN CC1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 ZINC000009245804 569515459 /nfs/dbraw/zinc/51/54/59/569515459.db2.gz BITMAWVAMTVODK-UHFFFAOYSA-N 0 0 436.574 2.944 50 0 IFAARN COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)c1OC ZINC000009253119 569516149 /nfs/dbraw/zinc/51/61/49/569516149.db2.gz VYIHZJOZZPRGFP-UHVIJJLKSA-N 0 0 434.514 2.504 50 0 IFAARN COc1ccc(CN(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)C2CC2)cc1 ZINC000009253131 569516157 /nfs/dbraw/zinc/51/61/57/569516157.db2.gz PWWIHNMNXORXIX-RUZDIDTESA-N 0 0 433.508 2.970 50 0 IFAARN Cc1cc(C)n2nc(SCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2n1 ZINC000009253212 569516159 /nfs/dbraw/zinc/51/61/59/569516159.db2.gz AYTMXMAAMBYTTA-INIZCTEOSA-N 0 0 425.514 2.968 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 ZINC000009254005 569516330 /nfs/dbraw/zinc/51/63/30/569516330.db2.gz PNIDHXQBIYLLSJ-UHFFFAOYSA-N 0 0 440.525 2.574 50 0 IFAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009254857 569516424 /nfs/dbraw/zinc/51/64/24/569516424.db2.gz XHUJFIHRNDVCKZ-ZDUSSCGKSA-N 0 0 439.859 2.684 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)c1 ZINC000009261418 569516957 /nfs/dbraw/zinc/51/69/57/569516957.db2.gz ZWPVJFODGJKAFW-UHFFFAOYSA-N 0 0 429.477 2.875 50 0 IFAARN Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)N1CCc2ccccc2C1 ZINC000009263673 569517225 /nfs/dbraw/zinc/51/72/25/569517225.db2.gz ZRSCTZQNJJDBQY-UHFFFAOYSA-N 0 0 439.516 2.812 50 0 IFAARN COc1ccccc1C(=O)NCc1nnc(S[C@@H](C)C(=O)Nc2nc(C)cs2)n1C ZINC000009264094 569517288 /nfs/dbraw/zinc/51/72/88/569517288.db2.gz XTCOAYRPUVTLNH-LBPRGKRZSA-N 0 0 446.558 2.638 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)CCC(=O)NCc3cccs3)ccc2N1C(=O)C1CC1 ZINC000009273776 569518079 /nfs/dbraw/zinc/51/80/79/569518079.db2.gz IOZZZIYJZPMROZ-AWEZNQCLSA-N 0 0 432.567 2.916 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)CCC(=O)NCc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000009273828 569518168 /nfs/dbraw/zinc/51/81/68/569518168.db2.gz IXAYKQYGLFPETC-INIZCTEOSA-N 0 0 426.538 2.854 50 0 IFAARN COc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1S(N)(=O)=O ZINC000009283690 569518920 /nfs/dbraw/zinc/51/89/20/569518920.db2.gz FKQPPDMZQUPMLU-UHFFFAOYSA-N 0 0 429.454 2.749 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1=O ZINC000009283828 569518937 /nfs/dbraw/zinc/51/89/37/569518937.db2.gz RFXGFQITSZOYEO-XMMPIXPASA-N 0 0 432.432 2.978 50 0 IFAARN O=C(COc1ncnc2sccc21)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009284935 569519181 /nfs/dbraw/zinc/51/91/81/569519181.db2.gz VSBPBAGDJXRAKB-UHFFFAOYSA-N 0 0 432.527 2.883 50 0 IFAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1 ZINC000009288005 569519313 /nfs/dbraw/zinc/51/93/13/569519313.db2.gz QDXKNAXYARXGDP-QGZVFWFLSA-N 0 0 429.546 2.739 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(CCCc2ccccc2)c1=O)CCCN3CCc1ccccc1 ZINC000009292899 569520067 /nfs/dbraw/zinc/52/00/67/569520067.db2.gz GSTMMDRRROCVOU-UHFFFAOYSA-N 0 0 443.551 2.982 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000009300952 569520624 /nfs/dbraw/zinc/52/06/24/569520624.db2.gz CREQNSHCVLFLMF-GOSISDBHSA-N 0 0 447.557 2.623 50 0 IFAARN COc1ccc([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000009302842 569520922 /nfs/dbraw/zinc/52/09/22/569520922.db2.gz RBNCACYYDMZDCI-JOCHJYFZSA-N 0 0 433.464 2.540 50 0 IFAARN Cc1cccc(NC(=O)CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000009303503 569520998 /nfs/dbraw/zinc/52/09/98/569520998.db2.gz QZEUTGNPVQSPRT-UHFFFAOYSA-N 0 0 429.542 2.541 50 0 IFAARN COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000009305285 569521210 /nfs/dbraw/zinc/52/12/10/569521210.db2.gz DJILSXFGDYLCKC-MRXNPFEDSA-N 0 0 431.514 2.693 50 0 IFAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCC(C(=O)OCC)CC1 ZINC000009330861 569522973 /nfs/dbraw/zinc/52/29/73/569522973.db2.gz ORIHKYGPCUWSFP-UHFFFAOYSA-N 0 0 431.489 2.567 50 0 IFAARN CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NC1CCCCC1 ZINC000009335969 569523348 /nfs/dbraw/zinc/52/33/48/569523348.db2.gz ZHVUTPOSEYOLPS-GOSISDBHSA-N 0 0 443.997 2.794 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccccc1NCc1ccco1 ZINC000009337189 569523487 /nfs/dbraw/zinc/52/34/87/569523487.db2.gz CIUBPNYGZQIRGE-NRFANRHFSA-N 0 0 436.464 2.949 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 ZINC000009339181 569523698 /nfs/dbraw/zinc/52/36/98/569523698.db2.gz KCKFTXMFDLVSBW-LLGFUMIMSA-N 0 0 444.557 2.605 50 0 IFAARN CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)c1 ZINC000009341101 569523899 /nfs/dbraw/zinc/52/38/99/569523899.db2.gz NPTSWHJFWNJQBM-HNNXBMFYSA-N 0 0 444.538 2.933 50 0 IFAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc(OC)c1OC ZINC000009344518 569524018 /nfs/dbraw/zinc/52/40/18/569524018.db2.gz IBUPZQHUPXPKFW-IBGZPJMESA-N 0 0 425.437 2.746 50 0 IFAARN CC(C)[C@H](NC(=O)COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1cccs1 ZINC000069928926 569524060 /nfs/dbraw/zinc/52/40/60/569524060.db2.gz UEGDCLWMHSOWKG-FQEVSTJZSA-N 0 0 429.498 2.576 50 0 IFAARN COc1ccc(CCC(=O)N2CCCN(C(=O)CCc3c(C)nn(C)c3C)CC2)cc1 ZINC000069930150 569524156 /nfs/dbraw/zinc/52/41/56/569524156.db2.gz BDYLBUUQEXNICG-UHFFFAOYSA-N 0 0 426.561 2.672 50 0 IFAARN C[C@@H]1CCCCN1C(=O)CN1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000069930223 569524186 /nfs/dbraw/zinc/52/41/86/569524186.db2.gz IPVCHUMUUOMRIJ-QPPBQGQZSA-N 0 0 426.605 2.759 50 0 IFAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OC)c(OC)c3)c2C(N)=O)C1 ZINC000009347501 569524289 /nfs/dbraw/zinc/52/42/89/569524289.db2.gz HSJNKYRZLOBKLM-UHFFFAOYSA-N 0 0 433.486 2.631 50 0 IFAARN C=C1c2cc3c(cc2CCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)OCO3 ZINC000009347961 569524320 /nfs/dbraw/zinc/52/43/20/569524320.db2.gz GOTDJGGZRIPBLQ-UHFFFAOYSA-N 0 0 426.494 2.869 50 0 IFAARN COc1cc(C2=NO[C@@H]3[C@@H]4C[C@H]([C@H]23)[C@H]2C(=O)N(C)C(=O)[C@@H]42)ccc1OCc1ccccc1 ZINC000009347781 569524350 /nfs/dbraw/zinc/52/43/50/569524350.db2.gz ZLHIVLXHQUUYKJ-PUGIJZQRSA-N 0 0 432.476 2.874 50 0 IFAARN COc1cccc([C@@H]2OCCn3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1O ZINC000009348253 569524430 /nfs/dbraw/zinc/52/44/30/569524430.db2.gz GFKVANNGOUCSKP-QHCPKHFHSA-N 0 0 447.491 2.848 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@@H]4c2ccc(F)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000009348199 569524436 /nfs/dbraw/zinc/52/44/36/569524436.db2.gz OMZIHAOCTQUMMD-JOCHJYFZSA-N 0 0 435.455 2.973 50 0 IFAARN COc1cccc(/C=C2\SC(=O)N(CCC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)c1 ZINC000009348853 569524591 /nfs/dbraw/zinc/52/45/91/569524591.db2.gz XKJCFUGZBBTDPQ-WRDGEJPTSA-N 0 0 440.521 2.841 50 0 IFAARN Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1CCc1cccs1 ZINC000009349356 569524764 /nfs/dbraw/zinc/52/47/64/569524764.db2.gz QRCDZAFNCGISIQ-UHFFFAOYSA-N 0 0 447.582 2.704 50 0 IFAARN O=C(CNC(=O)c1cnc2ccccc2c1O)Nc1ccnc(Sc2ccccn2)c1 ZINC000069950346 569525293 /nfs/dbraw/zinc/52/52/93/569525293.db2.gz VPFDBTMBPYIHFQ-UHFFFAOYSA-N 0 0 431.477 2.838 50 0 IFAARN Cc1cc(CNC(=O)c2nnn(-c3cccc4c3CCN(Cc3cccnc3)C4)c2C)on1 ZINC000069982061 569526937 /nfs/dbraw/zinc/52/69/37/569526937.db2.gz AEMAMWPCMMJHSQ-UHFFFAOYSA-N 0 0 443.511 2.755 50 0 IFAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnnn1Cc1cccs1 ZINC000009376134 569527262 /nfs/dbraw/zinc/52/72/62/569527262.db2.gz GBUASBYVGJNIKL-AWEZNQCLSA-N 0 0 431.543 2.564 50 0 IFAARN O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009376691 569527392 /nfs/dbraw/zinc/52/73/92/569527392.db2.gz PDWUZKRKIOIEHI-UHFFFAOYSA-N 0 0 433.512 2.732 50 0 IFAARN Cc1nn(CC(=O)N2c3ccccc3C[C@H]2C)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000009376872 569527402 /nfs/dbraw/zinc/52/74/02/569527402.db2.gz WCIMXDGAYNOVMW-OAHLLOKOSA-N 0 0 442.541 2.891 50 0 IFAARN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009377197 569527461 /nfs/dbraw/zinc/52/74/61/569527461.db2.gz NDYFYTUKNMSUCR-CYBMUJFWSA-N 0 0 427.482 2.794 50 0 IFAARN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2ccc(F)c(N3CCCC3=O)c2)CC1 ZINC000070007227 569527954 /nfs/dbraw/zinc/52/79/54/569527954.db2.gz GCKSIWDIIVRFDR-KRWDZBQOSA-N 0 0 445.539 2.503 50 0 IFAARN CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccccc1F ZINC000009380929 569527981 /nfs/dbraw/zinc/52/79/81/569527981.db2.gz PFCILNSIPYTGJL-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCN(C(C)=O)C2 ZINC000009383215 569528345 /nfs/dbraw/zinc/52/83/45/569528345.db2.gz IVOQHWUQRNRCEE-UHFFFAOYSA-N 0 0 430.482 2.853 50 0 IFAARN O=C(COc1cccc(C(=O)NCc2ccccc2)c1)NC[C@H]1COc2ccccc2O1 ZINC000009387912 569528520 /nfs/dbraw/zinc/52/85/20/569528520.db2.gz RFQCTMNMNQRCNQ-NRFANRHFSA-N 0 0 432.476 2.952 50 0 IFAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c1 ZINC000009396812 569529179 /nfs/dbraw/zinc/52/91/79/569529179.db2.gz GOANFTHGQDOHAG-MRXNPFEDSA-N 0 0 441.553 2.942 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)NC3CCCCCCC3)cc2C[C@@H]1C ZINC000009396840 569529193 /nfs/dbraw/zinc/52/91/93/569529193.db2.gz HLFQUSJAMHMKCH-INIZCTEOSA-N 0 0 435.590 2.834 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)NC3CCCCCCC3)cc2C[C@H]1C ZINC000009396839 569529217 /nfs/dbraw/zinc/52/92/17/569529217.db2.gz HLFQUSJAMHMKCH-MRXNPFEDSA-N 0 0 435.590 2.834 50 0 IFAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1 ZINC000009396863 569529241 /nfs/dbraw/zinc/52/92/41/569529241.db2.gz NSYCLRYDAXORDX-OAHLLOKOSA-N 0 0 445.541 2.642 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C)c(C)c3)cc2C[C@H]1C ZINC000009396886 569529251 /nfs/dbraw/zinc/52/92/51/569529251.db2.gz FGOYYKOBOXBXDD-MRXNPFEDSA-N 0 0 429.542 2.860 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2-c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000070039557 569529342 /nfs/dbraw/zinc/52/93/42/569529342.db2.gz GWHKMZQMPZLBBX-UHFFFAOYSA-N 0 0 425.514 2.749 50 0 IFAARN Cc1ccccc1OCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1 ZINC000009405073 569529737 /nfs/dbraw/zinc/52/97/37/569529737.db2.gz ROBZLZRIACUANR-UHFFFAOYSA-N 0 0 432.527 2.685 50 0 IFAARN C[C@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1 ZINC000009405078 569529761 /nfs/dbraw/zinc/52/97/61/569529761.db2.gz JQSRTLWQJFOBOO-AWEZNQCLSA-N 0 0 432.527 2.765 50 0 IFAARN COc1ccc(Cn2c(SCC(=O)Nc3ccccc3)nc3nccnc3c2=O)cc1 ZINC000009405174 569529797 /nfs/dbraw/zinc/52/97/97/569529797.db2.gz XJSVLANVYZOCIP-UHFFFAOYSA-N 0 0 433.493 2.974 50 0 IFAARN CCOC(=O)C1CCN(C(=O)C2CCN(c3nc(-c4ccc(OC)cc4)no3)CC2)CC1 ZINC000009405494 569529930 /nfs/dbraw/zinc/52/99/30/569529930.db2.gz KRZJIFNLGOXDGA-UHFFFAOYSA-N 0 0 442.516 2.763 50 0 IFAARN CCc1ccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)cc1 ZINC000009408075 569530467 /nfs/dbraw/zinc/53/04/67/569530467.db2.gz KFJPXRCFBVCVPP-UHFFFAOYSA-N 0 0 429.498 2.580 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccc(F)cc2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009408268 569530553 /nfs/dbraw/zinc/53/05/53/569530553.db2.gz NNKPEPIBGIMVPN-QZTJIDSGSA-N 0 0 449.529 2.548 50 0 IFAARN Cc1cc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c2ccc(C(C)C)cc2)n[nH]1 ZINC000009408350 569530556 /nfs/dbraw/zinc/53/05/56/569530556.db2.gz ZVHZDRXJRRTUJN-SJORKVTESA-N 0 0 447.586 2.555 50 0 IFAARN COc1ccc(N(CC(=O)Nc2cccc(C)c2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009408272 569530570 /nfs/dbraw/zinc/53/05/70/569530570.db2.gz SGENEIQKBHNWDQ-OALUTQOASA-N 0 0 445.566 2.717 50 0 IFAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NC[C@@H]2CCCO2)c1C ZINC000009408586 569530653 /nfs/dbraw/zinc/53/06/53/569530653.db2.gz PCGPSGGCPLHKIH-KRWDZBQOSA-N 0 0 438.528 2.728 50 0 IFAARN NC(=O)COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)cc1 ZINC000009409534 569531061 /nfs/dbraw/zinc/53/10/61/569531061.db2.gz YELHAMZDHHNJDO-XXBNENTESA-N 0 0 447.472 2.693 50 0 IFAARN CCOC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)COC(C)(C)C3 ZINC000009409785 569531106 /nfs/dbraw/zinc/53/11/06/569531106.db2.gz HFNUJSXBBOGKFM-UHFFFAOYSA-N 0 0 428.510 2.687 50 0 IFAARN CCn1c2nc(C)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2sc1=S ZINC000009409678 569531113 /nfs/dbraw/zinc/53/11/13/569531113.db2.gz NAQRMMPLAJDOCV-UHFFFAOYSA-N 0 0 448.570 2.693 50 0 IFAARN COc1ccccc1CNC(=O)CCn1c(=O)c2sccc2n(Cc2ccccc2)c1=O ZINC000009410350 569531326 /nfs/dbraw/zinc/53/13/26/569531326.db2.gz AJRSYXBGFABXMG-UHFFFAOYSA-N 0 0 449.532 2.988 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(CCc5ccccc5)C(=O)[C@H]24)O3)cc1OC ZINC000009410393 569531361 /nfs/dbraw/zinc/53/13/61/569531361.db2.gz WOVSHUFYFUOIMY-XBZNOJLSSA-N 0 0 434.492 2.667 50 0 IFAARN COC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009411356 569531539 /nfs/dbraw/zinc/53/15/39/569531539.db2.gz HMQMQMXDCRKVAQ-GUEZKQMUSA-N 0 0 437.540 2.701 50 0 IFAARN O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000009412759 569531642 /nfs/dbraw/zinc/53/16/42/569531642.db2.gz CITLXENAMMWQQH-UHFFFAOYSA-N 0 0 432.337 2.774 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NCc1ccccc1Cl ZINC000009412733 569531671 /nfs/dbraw/zinc/53/16/71/569531671.db2.gz UCHNDHCMDYTHTB-UHFFFAOYSA-N 0 0 443.294 2.660 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1OC ZINC000009416407 569532344 /nfs/dbraw/zinc/53/23/44/569532344.db2.gz SYLSGRCBUKTUPH-UHFFFAOYSA-N 0 0 439.859 2.892 50 0 IFAARN Cc1cn2c3c(nc2n1-c1ccccc1N)n(C)c(=O)n(CCCc1ccccc1)c3=O ZINC000009418834 569532476 /nfs/dbraw/zinc/53/24/76/569532476.db2.gz ZFMNTXRXDHYEIA-UHFFFAOYSA-N 0 0 428.496 2.662 50 0 IFAARN CCCCn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)CCC1CCCCC1)(C(F)(F)F)C(=O)N2 ZINC000009420117 569532594 /nfs/dbraw/zinc/53/25/94/569532594.db2.gz FMYMXFGSTIZROW-IBGZPJMESA-N 0 0 444.454 2.523 50 0 IFAARN O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000009429828 569533770 /nfs/dbraw/zinc/53/37/70/569533770.db2.gz TUAAXCZZILVONW-ZJYZBMPFSA-N 0 0 428.485 2.972 50 0 IFAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)NCc3ccc(OC)cc3)cc2NC1=O ZINC000009430046 569533844 /nfs/dbraw/zinc/53/38/44/569533844.db2.gz XLNNCIWVIDCBFM-GOSISDBHSA-N 0 0 448.566 2.998 50 0 IFAARN CCn1c2nnc(CCCC(=O)NCc3ccc(OC)cc3)n2c2ccsc2c1=O ZINC000009431382 569534121 /nfs/dbraw/zinc/53/41/21/569534121.db2.gz NIKMDBMGGPTIHM-UHFFFAOYSA-N 0 0 425.514 2.773 50 0 IFAARN COC(=O)CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)cc1 ZINC000009435294 569534814 /nfs/dbraw/zinc/53/48/14/569534814.db2.gz UGYNHYDOCGGZNY-QFIPXVFZSA-N 0 0 428.485 2.933 50 0 IFAARN CCCCN(C(=O)COC(=O)Cc1coc2cc(C)c(C)cc12)[C@@H]1CCS(=O)(=O)C1 ZINC000009436564 569534931 /nfs/dbraw/zinc/53/49/31/569534931.db2.gz GCTSIWGSUCHHDF-GOSISDBHSA-N 0 0 435.542 2.951 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cn(-c3cccc(OC)c3)c(=O)c3ccccc23)CC1 ZINC000009438721 569534942 /nfs/dbraw/zinc/53/49/42/569534942.db2.gz KNIBAMFYXQUSOS-UHFFFAOYSA-N 0 0 435.480 2.914 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCc1ccccc1 ZINC000009439148 569535043 /nfs/dbraw/zinc/53/50/43/569535043.db2.gz YPICSWOJBOOXAS-UHFFFAOYSA-N 0 0 444.553 2.767 50 0 IFAARN CCCCn1c2ncn(Cc3ccco3)c2c(=O)n(CC(=O)Nc2ccccc2F)c1=O ZINC000009439624 569535048 /nfs/dbraw/zinc/53/50/48/569535048.db2.gz QBLKKYWQFHNABT-UHFFFAOYSA-N 0 0 439.447 2.579 50 0 IFAARN CC(C)C[C@@H](C(=O)OCC(=O)c1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O ZINC000009441009 569535314 /nfs/dbraw/zinc/53/53/14/569535314.db2.gz BJPQKHXLTZLRRB-SFHVURJKSA-N 0 0 437.448 2.895 50 0 IFAARN COc1ccccc1N(C)C(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000009441099 569535328 /nfs/dbraw/zinc/53/53/28/569535328.db2.gz DEQGFNIXJAHUFP-ZDUSSCGKSA-N 0 0 434.539 2.955 50 0 IFAARN COc1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1S(N)(=O)=O ZINC000009441058 569535340 /nfs/dbraw/zinc/53/53/40/569535340.db2.gz PKUGSSVASKXPQT-UHFFFAOYSA-N 0 0 442.493 2.939 50 0 IFAARN COc1ccc(-c2csc(NC(=O)COC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)n2)cc1 ZINC000009442497 569535521 /nfs/dbraw/zinc/53/55/21/569535521.db2.gz ABWNXQAYJZVPHF-QRWLVFNGSA-N 0 0 447.538 2.754 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)COC(=O)c1cccn1C ZINC000009442411 569535540 /nfs/dbraw/zinc/53/55/40/569535540.db2.gz XWWVACVCIXDCKQ-UHFFFAOYSA-N 0 0 449.529 2.849 50 0 IFAARN CCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)NC(=O)NCCCOCC ZINC000009442759 569535655 /nfs/dbraw/zinc/53/56/55/569535655.db2.gz MQMGAKMDEXXOQU-UHFFFAOYSA-N 0 0 440.953 2.804 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4ccccc4n3C)cc2)C[C@@H](C)O1 ZINC000009443836 569535694 /nfs/dbraw/zinc/53/56/94/569535694.db2.gz MFFXAQYGQHWLAY-YZYXUJLISA-N 0 0 445.566 2.779 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N[C@@H](C)c2cc(OC)ccc2OC)c1C ZINC000009447268 569536033 /nfs/dbraw/zinc/53/60/33/569536033.db2.gz XKGKSGRCRJTODH-ZDUSSCGKSA-N 0 0 432.473 2.860 50 0 IFAARN Cc1cc(NC(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)ccc1Br ZINC000009450023 569536293 /nfs/dbraw/zinc/53/62/93/569536293.db2.gz JROLIDHZAAXODO-UHFFFAOYSA-N 0 0 448.350 2.672 50 0 IFAARN Cc1nn(-c2ccccc2)c(Cl)c1Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O ZINC000009451731 569536460 /nfs/dbraw/zinc/53/64/60/569536460.db2.gz DDNPDSUZFQUBHG-UHFFFAOYSA-N 0 0 432.933 2.829 50 0 IFAARN CCn1c2ccc(C(=O)N(C)CC(=O)Nc3ccc(F)c(F)c3F)cc2nc(C)c1=O ZINC000009457174 569536759 /nfs/dbraw/zinc/53/67/59/569536759.db2.gz YSGPQFQWNJAZPY-UHFFFAOYSA-N 0 0 432.402 2.853 50 0 IFAARN C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000009460291 569536946 /nfs/dbraw/zinc/53/69/46/569536946.db2.gz YTHKGKVPRYVBRQ-YOEHRIQHSA-N 0 0 449.960 2.717 50 0 IFAARN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000009460290 569536968 /nfs/dbraw/zinc/53/69/68/569536968.db2.gz YTHKGKVPRYVBRQ-RHSMWYFYSA-N 0 0 449.960 2.717 50 0 IFAARN CCCCn1c2nc(COC(=O)CCc3ccccc3OC)n(CCC)c2c(=O)[nH]c1=O ZINC000009464685 569537730 /nfs/dbraw/zinc/53/77/30/569537730.db2.gz RONCDMXDJDICIW-UHFFFAOYSA-N 0 0 442.516 2.781 50 0 IFAARN COc1ccc(-n2ccnc2SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000009464859 569537787 /nfs/dbraw/zinc/53/77/87/569537787.db2.gz CXZAXSWOAVCFKZ-UHFFFAOYSA-N 0 0 443.529 2.505 50 0 IFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)C1=O ZINC000009465565 569537997 /nfs/dbraw/zinc/53/79/97/569537997.db2.gz IBSUYQZEVZGBIO-JOCHJYFZSA-N 0 0 441.415 2.553 50 0 IFAARN O=C(NCCCn1cnc2ccccc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009466722 569538235 /nfs/dbraw/zinc/53/82/35/569538235.db2.gz WICLMHHINZYOQV-UHFFFAOYSA-N 0 0 438.509 2.928 50 0 IFAARN CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2[C@@H](C)CC)NC(=O)N[C@@H]1C ZINC000009468184 569538611 /nfs/dbraw/zinc/53/86/11/569538611.db2.gz CKSMBSDUOSJSCC-QWHCGFSZSA-N 0 0 430.530 2.978 50 0 IFAARN O=C(CN1CCCSc2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009469601 569538803 /nfs/dbraw/zinc/53/88/03/569538803.db2.gz SNIQJOYUILIMOF-UHFFFAOYSA-N 0 0 447.582 2.648 50 0 IFAARN O=S(=O)(c1ccc(SCc2nnnn2-c2ccccc2)nc1)N1CCCCCC1 ZINC000009470443 569538832 /nfs/dbraw/zinc/53/88/32/569538832.db2.gz IEYPABQANBDWLI-UHFFFAOYSA-N 0 0 430.559 2.914 50 0 IFAARN O=C(NCCCn1ccc2ccccc21)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000009470996 569538899 /nfs/dbraw/zinc/53/88/99/569538899.db2.gz QSDLWYYCKAJRJH-HXUWFJFHSA-N 0 0 441.553 2.919 50 0 IFAARN O=C(NCCCn1ccc2ccccc21)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000009470994 569538915 /nfs/dbraw/zinc/53/89/15/569538915.db2.gz QSDLWYYCKAJRJH-FQEVSTJZSA-N 0 0 441.553 2.919 50 0 IFAARN CCOCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000009471420 569538970 /nfs/dbraw/zinc/53/89/70/569538970.db2.gz HSCCYOHWOMHGDJ-UHFFFAOYSA-N 0 0 440.331 2.627 50 0 IFAARN O=C(NCCCn1cnc2ccccc21)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009477697 569539201 /nfs/dbraw/zinc/53/92/01/569539201.db2.gz UORAXQMOLXSEOG-UHFFFAOYSA-N 0 0 432.571 2.705 50 0 IFAARN CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 ZINC000009478656 569539372 /nfs/dbraw/zinc/53/93/72/569539372.db2.gz DFOSZPWYYNKUKC-UHFFFAOYSA-N 0 0 438.440 3.000 50 0 IFAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O ZINC000009494121 569540849 /nfs/dbraw/zinc/54/08/49/569540849.db2.gz PLXUFHHNMJXLJO-DEOSSOPVSA-N 0 0 435.480 2.742 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000009494807 569540914 /nfs/dbraw/zinc/54/09/14/569540914.db2.gz KJUDENZGMFSQAT-UHFFFAOYSA-N 0 0 430.530 2.532 50 0 IFAARN CC(C)CCNC(=O)c1cnc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1O ZINC000009495435 569541065 /nfs/dbraw/zinc/54/10/65/569541065.db2.gz MKZMWQMSVKBEKU-HZPDHXFCSA-N 0 0 433.574 2.971 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)[C@@H]1COc3ccccc3O1)CCC2 ZINC000009508624 569542374 /nfs/dbraw/zinc/54/23/74/569542374.db2.gz ZRFQEAXTVLJIEB-HNNXBMFYSA-N 0 0 431.466 2.735 50 0 IFAARN COCCCNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000009508784 569542398 /nfs/dbraw/zinc/54/23/98/569542398.db2.gz HYAQSZZCMAXFQL-UHFFFAOYSA-N 0 0 435.329 2.930 50 0 IFAARN COc1ccc(OCCSc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000009508979 569542479 /nfs/dbraw/zinc/54/24/79/569542479.db2.gz OSICKNVYUKLKIC-UHFFFAOYSA-N 0 0 430.530 2.504 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N)cc1 ZINC000009510830 569542828 /nfs/dbraw/zinc/54/28/28/569542828.db2.gz WIUYJKAXCANPKF-UHFFFAOYSA-N 0 0 439.476 2.928 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NC[C@H]2CCCO2)s1 ZINC000009514721 569543240 /nfs/dbraw/zinc/54/32/40/569543240.db2.gz JAUPHXOFFPEHPI-QWHCGFSZSA-N 0 0 433.559 2.985 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000009516035 569543404 /nfs/dbraw/zinc/54/34/04/569543404.db2.gz INSFCJGXGZWRSK-UHFFFAOYSA-N 0 0 432.571 2.878 50 0 IFAARN Nc1nc(SCC(=O)Nc2ccccc2F)[nH]c(=O)c1NC(=O)c1ccccc1F ZINC000009518085 569543948 /nfs/dbraw/zinc/54/39/48/569543948.db2.gz NWKAPWCVIWPGML-UHFFFAOYSA-N 0 0 431.424 2.613 50 0 IFAARN Cc1ccccc1NC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000009519616 569544294 /nfs/dbraw/zinc/54/42/94/569544294.db2.gz OBPQQGWPQQPUHH-UHFFFAOYSA-N 0 0 439.537 2.985 50 0 IFAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccc(F)cc1 ZINC000009519628 569544296 /nfs/dbraw/zinc/54/42/96/569544296.db2.gz HCYOAOMWPAYAFL-UHFFFAOYSA-N 0 0 443.500 2.815 50 0 IFAARN COc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)cc1Cl ZINC000009526902 569544573 /nfs/dbraw/zinc/54/45/73/569544573.db2.gz VATQSMINROOXQL-UHFFFAOYSA-N 0 0 444.894 2.837 50 0 IFAARN Cc1ccc(Cn2c(CO)cnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000009529046 569544760 /nfs/dbraw/zinc/54/47/60/569544760.db2.gz CFBSYXLKTUHYPJ-UHFFFAOYSA-N 0 0 425.510 2.869 50 0 IFAARN Cc1ccsc1CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009530047 569544976 /nfs/dbraw/zinc/54/49/76/569544976.db2.gz FRUXCILCLTZLRG-FUHWJXTLSA-N 0 0 449.623 2.638 50 0 IFAARN Cc1ccsc1CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009530033 569544977 /nfs/dbraw/zinc/54/49/77/569544977.db2.gz FTFFMWZCZKQYBN-DOTOQJQBSA-N 0 0 435.596 2.709 50 0 IFAARN COc1ccc2cc([C@]3(C)NC(=O)N(Cc4cc(=O)n5ccsc5n4)C3=O)ccc2c1 ZINC000009548990 569546535 /nfs/dbraw/zinc/54/65/35/569546535.db2.gz UYJZWFVASQEGTK-QFIPXVFZSA-N 0 0 434.477 2.885 50 0 IFAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000009549401 569546646 /nfs/dbraw/zinc/54/66/46/569546646.db2.gz IEFYSOOEGKZLEC-IBGZPJMESA-N 0 0 443.525 2.523 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2cccs2)cc1 ZINC000009559451 569546977 /nfs/dbraw/zinc/54/69/77/569546977.db2.gz XRYLBSDOKIOKFA-HNNXBMFYSA-N 0 0 442.584 2.964 50 0 IFAARN COc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c1 ZINC000009569003 569547555 /nfs/dbraw/zinc/54/75/55/569547555.db2.gz BUZXTQUVXFILKB-UHFFFAOYSA-N 0 0 439.472 2.903 50 0 IFAARN O=C(CNC(=O)NC1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(F)c(F)c1F ZINC000009575381 569547929 /nfs/dbraw/zinc/54/79/29/569547929.db2.gz ZVKGCEPMYGNVDH-UHFFFAOYSA-N 0 0 434.418 2.646 50 0 IFAARN COC(=O)c1ccc(NC(=O)CSc2nnc3n2CCN3c2ccc(OC)cc2)cc1 ZINC000009574039 569547974 /nfs/dbraw/zinc/54/79/74/569547974.db2.gz PVTDPUQJYGSPDR-UHFFFAOYSA-N 0 0 439.497 2.956 50 0 IFAARN COCCCn1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1C ZINC000009579170 569548441 /nfs/dbraw/zinc/54/84/41/569548441.db2.gz NPELAWHHDFMWCJ-QHCPKHFHSA-N 0 0 425.485 2.554 50 0 IFAARN NC(=O)c1ccc(-c2nnn(CC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)n2)cc1 ZINC000009580307 569548758 /nfs/dbraw/zinc/54/87/58/569548758.db2.gz FAERCWMRTIFBSH-IBGZPJMESA-N 0 0 436.472 2.545 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1 ZINC000070638620 569548988 /nfs/dbraw/zinc/54/89/88/569548988.db2.gz DBMRLHQQGQVQIN-UHFFFAOYSA-N 0 0 447.494 2.522 50 0 IFAARN COc1ccc(F)cc1S(=O)(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1 ZINC000070638606 569549031 /nfs/dbraw/zinc/54/90/31/569549031.db2.gz BGJNYVQHHQKBFR-UHFFFAOYSA-N 0 0 437.474 2.883 50 0 IFAARN CCCn1c2ccccc2n(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1=O ZINC000009580976 569549061 /nfs/dbraw/zinc/54/90/61/569549061.db2.gz SVFGLGZBPOWWTH-UHFFFAOYSA-N 0 0 442.541 2.636 50 0 IFAARN O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000070641491 569549068 /nfs/dbraw/zinc/54/90/68/569549068.db2.gz CVYBPCFNRMOUOE-HXUWFJFHSA-N 0 0 447.457 2.782 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000009584557 569549416 /nfs/dbraw/zinc/54/94/16/569549416.db2.gz BIKQPIQVWPJNEN-UHFFFAOYSA-N 0 0 444.431 2.987 50 0 IFAARN O=C(CCNS(=O)(=O)c1cccs1)OCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000009585027 569549511 /nfs/dbraw/zinc/54/95/11/569549511.db2.gz DFLYGLRQLGSRFY-UHFFFAOYSA-N 0 0 433.507 2.755 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCSCc1ccco1 ZINC000009587051 569549737 /nfs/dbraw/zinc/54/97/37/569549737.db2.gz IPKMROJBWLHZNF-INIZCTEOSA-N 0 0 446.591 2.868 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000009589950 569549986 /nfs/dbraw/zinc/54/99/86/569549986.db2.gz RSLIONRSLMAXHV-KBXCAEBGSA-N 0 0 435.480 2.775 50 0 IFAARN CCOC(=O)N1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)CC1 ZINC000009598544 569550974 /nfs/dbraw/zinc/55/09/74/569550974.db2.gz AYQXNNKSDPYHLY-YADHBBJMSA-N 0 0 433.508 2.824 50 0 IFAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009605416 569551931 /nfs/dbraw/zinc/55/19/31/569551931.db2.gz XCRSCEFHNNUALQ-CQSZACIVSA-N 0 0 440.525 2.736 50 0 IFAARN Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1ccc(Br)cc1F ZINC000009608557 569552124 /nfs/dbraw/zinc/55/21/24/569552124.db2.gz BVVAVNKQDMDZST-UHFFFAOYSA-N 0 0 448.252 2.834 50 0 IFAARN Cc1nc2c(c(C)c1CCC(=O)N1CCC[C@H](c3ccccc3)C1)c(=O)n(C)c(=O)n2C ZINC000009610422 569552548 /nfs/dbraw/zinc/55/25/48/569552548.db2.gz NNRLWCKBMXPRFX-IBGZPJMESA-N 0 0 434.540 2.588 50 0 IFAARN O=C(NC1CCCC1)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000009610547 569552564 /nfs/dbraw/zinc/55/25/64/569552564.db2.gz NCTODORRTVJEFZ-OAQYLSRUSA-N 0 0 427.526 2.650 50 0 IFAARN CCCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000009613981 569553076 /nfs/dbraw/zinc/55/30/76/569553076.db2.gz OVTOOPWAKRWZOG-WMZOPIPTSA-N 0 0 426.966 2.618 50 0 IFAARN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)c(Cl)c1 ZINC000009615275 569553202 /nfs/dbraw/zinc/55/32/02/569553202.db2.gz XPZJWRJOTGMIDG-UHFFFAOYSA-N 0 0 434.848 2.560 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cc(OC)ccc2OC)NC(=O)N[C@@H]1c1ccccc1 ZINC000009618751 569553332 /nfs/dbraw/zinc/55/33/32/569553332.db2.gz BZNVMOQAOOUIKU-HXUWFJFHSA-N 0 0 440.452 2.732 50 0 IFAARN O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000009618700 569553355 /nfs/dbraw/zinc/55/33/55/569553355.db2.gz FXOKTESUYPDVPG-MRXNPFEDSA-N 0 0 445.516 2.757 50 0 IFAARN O=C(CCCn1c(=O)c2ccccc2n(CC(=O)c2ccccc2)c1=O)NC1CCCC1 ZINC000009616951 569553366 /nfs/dbraw/zinc/55/33/66/569553366.db2.gz RMRQBVONPVUBCF-UHFFFAOYSA-N 0 0 433.508 2.885 50 0 IFAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009632423 569553969 /nfs/dbraw/zinc/55/39/69/569553969.db2.gz DBUIEPSXPFPIJR-UHFFFAOYSA-N 0 0 439.465 2.848 50 0 IFAARN CCNC(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000009634545 569554475 /nfs/dbraw/zinc/55/44/75/569554475.db2.gz NCGMAACMXRFWRD-UHFFFAOYSA-N 0 0 445.324 2.765 50 0 IFAARN O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009637260 569554762 /nfs/dbraw/zinc/55/47/62/569554762.db2.gz WRSDWZWKHGZYOC-UHFFFAOYSA-N 0 0 445.516 2.992 50 0 IFAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000009639946 569555247 /nfs/dbraw/zinc/55/52/47/569555247.db2.gz OLAKFUJMJAEKCJ-CQSZACIVSA-N 0 0 426.897 2.780 50 0 IFAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2nnc3ccccn32)c1 ZINC000009640307 569555424 /nfs/dbraw/zinc/55/54/24/569555424.db2.gz SBBZXJCURYXCRV-INIZCTEOSA-N 0 0 447.520 2.799 50 0 IFAARN Nn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)NC(=O)NC1CCCC1 ZINC000009641588 569555757 /nfs/dbraw/zinc/55/57/57/569555757.db2.gz CESXRXOMRNPOJN-UHFFFAOYSA-N 0 0 443.554 2.699 50 0 IFAARN CCCCn1c(COC(=O)c2cccnc2SC)nc2cc(S(N)(=O)=O)ccc21 ZINC000009645994 569556213 /nfs/dbraw/zinc/55/62/13/569556213.db2.gz OPQNERNKUHTQEJ-UHFFFAOYSA-N 0 0 434.543 2.958 50 0 IFAARN O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000009646982 569556414 /nfs/dbraw/zinc/55/64/14/569556414.db2.gz XYEQEZGZCCQTEZ-UHFFFAOYSA-N 0 0 436.946 2.734 50 0 IFAARN COc1ccc(CNC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 ZINC000009659256 569556629 /nfs/dbraw/zinc/55/66/29/569556629.db2.gz CQMJTFJUIMCDGD-UHFFFAOYSA-N 0 0 425.466 2.992 50 0 IFAARN Cn1cc(C(=O)NCc2ccccc2Cl)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 ZINC000009659633 569556661 /nfs/dbraw/zinc/55/66/61/569556661.db2.gz AQJVMNURKVUXPG-UHFFFAOYSA-N 0 0 426.835 2.740 50 0 IFAARN CC1CCN(C(=O)C2CCN(C(=O)[C@@H](C(=O)c3ccccc3)n3ccccc3=O)CC2)CC1 ZINC000009659895 569556663 /nfs/dbraw/zinc/55/66/63/569556663.db2.gz ULDAONYYYRPCKV-HSZRJFAPSA-N 0 0 449.551 2.769 50 0 IFAARN COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccc(C)cc3)c2=O)cc1 ZINC000009660582 569556886 /nfs/dbraw/zinc/55/68/86/569556886.db2.gz UAILVAVORWBSMQ-UHFFFAOYSA-N 0 0 430.464 2.562 50 0 IFAARN O=C(COC(=O)c1ccc(F)cc1F)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009664762 569557445 /nfs/dbraw/zinc/55/74/45/569557445.db2.gz OMXZYJWTYVJUNU-UHFFFAOYSA-N 0 0 438.452 2.935 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)c2cccc(O)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000009665723 569557559 /nfs/dbraw/zinc/55/75/59/569557559.db2.gz QSPOEAIGHKRLJY-UHFFFAOYSA-N 0 0 432.498 2.671 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1CCO)Nc1cccc(Br)c1 ZINC000009665881 569557625 /nfs/dbraw/zinc/55/76/25/569557625.db2.gz HFTZCCRTUARZCW-UHFFFAOYSA-N 0 0 434.315 2.882 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c1C ZINC000009665901 569557640 /nfs/dbraw/zinc/55/76/40/569557640.db2.gz XKSGLUOWISDLFV-UHFFFAOYSA-N 0 0 437.452 2.504 50 0 IFAARN COc1ccc2oc(C(=O)OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)c(C)c2c1 ZINC000009670806 569558386 /nfs/dbraw/zinc/55/83/86/569558386.db2.gz NPTXUNLOGCEWIC-HNNXBMFYSA-N 0 0 437.514 2.578 50 0 IFAARN O=C(NCCCn1ccc2ccccc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009670971 569558438 /nfs/dbraw/zinc/55/84/38/569558438.db2.gz BFQFSVCTXKTRKQ-UHFFFAOYSA-N 0 0 440.569 2.889 50 0 IFAARN O=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000009670958 569558466 /nfs/dbraw/zinc/55/84/66/569558466.db2.gz MXOPERUNMHEYGS-UHFFFAOYSA-N 0 0 429.542 2.569 50 0 IFAARN CCCn1c(CSc2ncccn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009672236 569558729 /nfs/dbraw/zinc/55/87/29/569558729.db2.gz YFSYNOSRJLGEDI-UHFFFAOYSA-N 0 0 433.559 2.550 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCO)Cc2ccc(Cl)cc2Cl)cc1 ZINC000009679521 569559870 /nfs/dbraw/zinc/55/98/70/569559870.db2.gz AJCCJMGDBISHHK-UHFFFAOYSA-N 0 0 431.341 2.601 50 0 IFAARN CCOC(=O)N1CCN(S(=O)(=O)c2cc3[nH]c4c(c3cc2CC)C(=O)CCC4)CC1 ZINC000009685884 569560731 /nfs/dbraw/zinc/56/07/31/569560731.db2.gz IDOMIOFZTBSOJF-UHFFFAOYSA-N 0 0 433.530 2.712 50 0 IFAARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000009701664 569561228 /nfs/dbraw/zinc/56/12/28/569561228.db2.gz WGSAIKOUGSPWDV-UHFFFAOYSA-N 0 0 445.453 2.667 50 0 IFAARN Cc1ccc(CN2N=C(C)Cn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1 ZINC000009707508 569561515 /nfs/dbraw/zinc/56/15/15/569561515.db2.gz KMOAZVDLGDCSGQ-UHFFFAOYSA-N 0 0 442.523 2.958 50 0 IFAARN COCCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2cccc(C)c2)n(C)c1=O ZINC000009713224 569562574 /nfs/dbraw/zinc/56/25/74/569562574.db2.gz PIFMOXYEFYOYMG-UHFFFAOYSA-N 0 0 429.480 2.760 50 0 IFAARN Cn1c2nc3n(cc(-c4ccccc4)n3-c3ccc(Cl)cc3)c2c(=O)n(CCCO)c1=O ZINC000009713371 569562623 /nfs/dbraw/zinc/56/26/23/569562623.db2.gz SBWBWGVSJRLZDT-UHFFFAOYSA-N 0 0 449.898 2.841 50 0 IFAARN CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Br)s2)NC(=O)N1C1CC1 ZINC000009723885 569563624 /nfs/dbraw/zinc/56/36/24/569563624.db2.gz WQEPWGUUWLREJM-HNNXBMFYSA-N 0 0 426.336 2.872 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1C[C@H](C)C[C@H](C)C1)cn2C ZINC000009724161 569563641 /nfs/dbraw/zinc/56/36/41/569563641.db2.gz KICFOINUQHMTMD-IYBDPMFKSA-N 0 0 433.574 2.687 50 0 IFAARN Cn1cc(C(=O)NC2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000009724804 569563741 /nfs/dbraw/zinc/56/37/41/569563741.db2.gz XWPUXCKWZXBYFG-UHFFFAOYSA-N 0 0 431.558 2.776 50 0 IFAARN CCn1cc(C(=O)N2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009725616 569563832 /nfs/dbraw/zinc/56/38/32/569563832.db2.gz GIHYLTOWGMAYRF-UHFFFAOYSA-N 0 0 431.558 2.822 50 0 IFAARN Cc1ccc(C)c(CN2CCCN(CC(=O)NCCCc3ccccc3)S2(=O)=O)c1 ZINC000009726611 569563945 /nfs/dbraw/zinc/56/39/45/569563945.db2.gz BDBYDNIWQFAOCJ-UHFFFAOYSA-N 0 0 429.586 2.805 50 0 IFAARN CCOc1ccc(CNC(=O)Cn2ncn3nc(-c4ccc(CC)cc4)cc3c2=O)cc1 ZINC000009727293 569563963 /nfs/dbraw/zinc/56/39/63/569563963.db2.gz IUPOZNMCTXGRTM-UHFFFAOYSA-N 0 0 431.496 2.836 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000009730336 569564430 /nfs/dbraw/zinc/56/44/30/569564430.db2.gz GSJOQJXSWQDDRB-UHFFFAOYSA-N 0 0 427.526 2.846 50 0 IFAARN Cc1ccc(CN(C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C)c1 ZINC000009733559 569564729 /nfs/dbraw/zinc/56/47/29/569564729.db2.gz QSSBMMRNUZNAOL-UHFFFAOYSA-N 0 0 437.587 2.727 50 0 IFAARN O=C(CNC(=O)NCc1ccc(F)cc1)Nc1cc2c(cc1Br)OCCO2 ZINC000009734413 569564741 /nfs/dbraw/zinc/56/47/41/569564741.db2.gz DHPJKHLXWHIICV-UHFFFAOYSA-N 0 0 438.253 2.797 50 0 IFAARN COc1ccc(-n2c3nc(-c4ccccc4Cl)nc(C(N)=O)c3[nH]c2=O)c(OC)c1 ZINC000009739185 569564968 /nfs/dbraw/zinc/56/49/68/569564968.db2.gz JKDLHOGGSDMFEU-UHFFFAOYSA-N 0 0 425.832 2.545 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccco2)cc1 ZINC000009740187 569565132 /nfs/dbraw/zinc/56/51/32/569565132.db2.gz LNWLNJUPPVCERE-LJQANCHMSA-N 0 0 430.457 2.997 50 0 IFAARN COCCCN(C(=O)c1oc2c(cccc2F)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000009740915 569565207 /nfs/dbraw/zinc/56/52/07/569565207.db2.gz ZTNAVVNTGRUQLC-UHFFFAOYSA-N 0 0 446.479 2.652 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)Nc1cc(F)ccc1F ZINC000009741445 569565265 /nfs/dbraw/zinc/56/52/65/569565265.db2.gz FIKWZDUYTBYDAH-FQEVSTJZSA-N 0 0 449.479 2.666 50 0 IFAARN O=C(CN1CCCSc2ccccc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009742915 569565434 /nfs/dbraw/zinc/56/54/34/569565434.db2.gz LIMUNRCGPZQZBD-UHFFFAOYSA-N 0 0 445.610 2.663 50 0 IFAARN CCc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000009743398 569565486 /nfs/dbraw/zinc/56/54/86/569565486.db2.gz KYSPOQANMRAVTK-FQEVSTJZSA-N 0 0 443.569 2.937 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCS[C@@H]1c1ccccc1F ZINC000009744562 569565615 /nfs/dbraw/zinc/56/56/15/569565615.db2.gz KIPXKYXGPVTHDG-DENIHFKCSA-N 0 0 425.485 2.793 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2ccccc2)cc1 ZINC000009745222 569565631 /nfs/dbraw/zinc/56/56/31/569565631.db2.gz YCOMFXXABODLDD-LJQANCHMSA-N 0 0 429.542 2.683 50 0 IFAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)NN1C(=O)NC2(CCCCC2)C1=O ZINC000009746029 569565697 /nfs/dbraw/zinc/56/56/97/569565697.db2.gz PZNJPICLKIHYFR-UHFFFAOYSA-N 0 0 434.905 2.570 50 0 IFAARN CC(C)CCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009747376 569565828 /nfs/dbraw/zinc/56/58/28/569565828.db2.gz SBHOSSWROWMLAV-KRWDZBQOSA-N 0 0 443.997 2.552 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2nnn(Cc3cccc(Br)c3)c2N)c1 ZINC000009748990 569565936 /nfs/dbraw/zinc/56/59/36/569565936.db2.gz OWSZZILCVPMLMQ-UHFFFAOYSA-N 0 0 432.278 2.941 50 0 IFAARN Cc1ccnn1-c1ccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000009749693 569565981 /nfs/dbraw/zinc/56/59/81/569565981.db2.gz GGSOHGYUOOFIFI-UHFFFAOYSA-N 0 0 433.512 2.728 50 0 IFAARN O=C(CCn1nc(-c2cccs2)oc1=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000009751428 569566070 /nfs/dbraw/zinc/56/60/70/569566070.db2.gz NOMYLEPWGGKADX-UHFFFAOYSA-N 0 0 440.525 2.897 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccc(OCC)cc1 ZINC000009761813 569566306 /nfs/dbraw/zinc/56/63/06/569566306.db2.gz OSUNJTXZWYMQMC-UHFFFAOYSA-N 0 0 437.452 2.825 50 0 IFAARN O=C(CSc1nnnn1Cc1cccs1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009764352 569566692 /nfs/dbraw/zinc/56/66/92/569566692.db2.gz DKLDVPLWGYTATA-UHFFFAOYSA-N 0 0 432.922 2.748 50 0 IFAARN C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)N1CCNC1=O ZINC000009778598 569567260 /nfs/dbraw/zinc/56/72/60/569567260.db2.gz RGRUHFZLVMFRAK-ZDUSSCGKSA-N 0 0 437.481 2.695 50 0 IFAARN CN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009778782 569567277 /nfs/dbraw/zinc/56/72/77/569567277.db2.gz ZSXVIOSEJULQSB-UHFFFAOYSA-N 0 0 437.521 2.991 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O ZINC000009782586 569567736 /nfs/dbraw/zinc/56/77/36/569567736.db2.gz MSIPKNJNYKSQRU-OAQYLSRUSA-N 0 0 431.395 2.547 50 0 IFAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1=O ZINC000009783219 569567814 /nfs/dbraw/zinc/56/78/14/569567814.db2.gz KEXHFAZYDLLCFR-UPCLLVRISA-N 0 0 437.496 2.882 50 0 IFAARN COc1cc(C(=O)OCC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)ccc1OC(F)F ZINC000009791427 569568238 /nfs/dbraw/zinc/56/82/38/569568238.db2.gz ZUVICSPFDMRIBX-UHFFFAOYSA-N 0 0 437.355 2.538 50 0 IFAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)NC(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000009791617 569568246 /nfs/dbraw/zinc/56/82/46/569568246.db2.gz PGBZAYFMIQLZTN-UHFFFAOYSA-N 0 0 443.459 2.896 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000009794596 569568391 /nfs/dbraw/zinc/56/83/91/569568391.db2.gz VDVTZKGSXVLNAF-UHFFFAOYSA-N 0 0 425.514 2.709 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2ccc(-n3cccn3)cc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000009797961 569568538 /nfs/dbraw/zinc/56/85/38/569568538.db2.gz FROWACBPRIUUGN-OAQYLSRUSA-N 0 0 446.463 2.900 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2F)c(C)c1 ZINC000009806367 569568879 /nfs/dbraw/zinc/56/88/79/569568879.db2.gz JQYRDTHSGDFVGO-KRWDZBQOSA-N 0 0 447.532 2.659 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(F)cc2)c(C)c1 ZINC000009806381 569568894 /nfs/dbraw/zinc/56/88/94/569568894.db2.gz PVEHFMDYKOOIGP-LJQANCHMSA-N 0 0 447.532 2.659 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2c(C)cccc2C)c1 ZINC000009807399 569569017 /nfs/dbraw/zinc/56/90/17/569569017.db2.gz MASMUSLFKDDMQQ-LJQANCHMSA-N 0 0 443.569 2.828 50 0 IFAARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009818658 569569330 /nfs/dbraw/zinc/56/93/30/569569330.db2.gz MEIAFKRVDMCDRM-UHFFFAOYSA-N 0 0 448.928 2.704 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)c2cn(C)c3c2[nH]c(=O)n(Cc2ccccc2)c3=O)cc1 ZINC000009821358 569569425 /nfs/dbraw/zinc/56/94/25/569569425.db2.gz HXEIJMHMHXMDDE-UHFFFAOYSA-N 0 0 446.463 2.506 50 0 IFAARN Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 ZINC000009821627 569569505 /nfs/dbraw/zinc/56/95/05/569569505.db2.gz CUCNDOJFBTXGBD-UHFFFAOYSA-N 0 0 441.491 2.530 50 0 IFAARN COC(=O)c1ccc(NC(=O)C[S@](=O)c2ncc(-c3ccc(OC)cc3)n2C)cc1 ZINC000009828758 569569800 /nfs/dbraw/zinc/56/98/00/569569800.db2.gz RCNLIVPZKVIOSK-SSEXGKCCSA-N 0 0 427.482 2.629 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(nc2-n2nc(C)cc2C)CCCC3)cc1 ZINC000009828811 569569895 /nfs/dbraw/zinc/56/98/95/569569895.db2.gz TUHISWLBJSTPCQ-UHFFFAOYSA-N 0 0 449.511 2.740 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3[nH]c(=O)ccn31)CCCCC2 ZINC000009829341 569569992 /nfs/dbraw/zinc/56/99/92/569569992.db2.gz YKPJSRGGPMIUDA-UHFFFAOYSA-N 0 0 447.542 2.656 50 0 IFAARN CCOCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2cccc(Cl)c2C)n(C)c1=O ZINC000009829503 569570092 /nfs/dbraw/zinc/57/00/92/569570092.db2.gz HHOFCNJSYYBJDK-UHFFFAOYSA-N 0 0 429.908 2.754 50 0 IFAARN CCOC(=O)c1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1 ZINC000009829517 569570125 /nfs/dbraw/zinc/57/01/25/569570125.db2.gz RIMVBRNKILLPLF-UHFFFAOYSA-N 0 0 437.500 2.588 50 0 IFAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009835191 569570635 /nfs/dbraw/zinc/57/06/35/569570635.db2.gz NCGRSEPYBZABSM-UHFFFAOYSA-N 0 0 426.561 2.867 50 0 IFAARN CCc1nn(CC(=O)NCCc2cc(OC)ccc2OC)c(=O)c2cc3sccc3n21 ZINC000009848552 569571263 /nfs/dbraw/zinc/57/12/63/569571263.db2.gz XFJBGUUKXUDQCU-UHFFFAOYSA-N 0 0 440.525 2.649 50 0 IFAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccccc4Cl)CC3)ccc21 ZINC000009856468 569571629 /nfs/dbraw/zinc/57/16/29/569571629.db2.gz BQDBMEWXYALZON-UHFFFAOYSA-N 0 0 449.916 2.824 50 0 IFAARN COc1ccc(NC(=O)c2cccc(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)c(OC)c1 ZINC000009860289 569571837 /nfs/dbraw/zinc/57/18/37/569571837.db2.gz VKCGUNGZMOQCOU-SJLPKXTDSA-N 0 0 447.538 2.636 50 0 IFAARN Cc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1 ZINC000009860696 569571854 /nfs/dbraw/zinc/57/18/54/569571854.db2.gz JHMUMASOYFUPKC-VQTJNVASSA-N 0 0 443.594 2.956 50 0 IFAARN Cc1cccc(CCNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)c1 ZINC000009860698 569571891 /nfs/dbraw/zinc/57/18/91/569571891.db2.gz DHGASWJTXWJWCY-PMACEKPBSA-N 0 0 443.594 2.956 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cnc3ccccc3n2)NC(=O)N[C@H]1c1ccccc1 ZINC000009865211 569572190 /nfs/dbraw/zinc/57/21/90/569572190.db2.gz SSZLIYRZVZBFMR-FQEVSTJZSA-N 0 0 432.436 2.658 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000009866982 569572214 /nfs/dbraw/zinc/57/22/14/569572214.db2.gz GZPFDLLPUBTDGO-UHFFFAOYSA-N 0 0 446.550 2.970 50 0 IFAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc2c(c1)OCO2 ZINC000009876744 569572672 /nfs/dbraw/zinc/57/26/72/569572672.db2.gz AHVIBUQQKQHFIA-MRXNPFEDSA-N 0 0 445.541 2.659 50 0 IFAARN COc1cc2c(=O)n(CCO)c(=O)n(Cc3c(Cl)cccc3Cl)c2cc1OC ZINC000071279581 569573565 /nfs/dbraw/zinc/57/35/65/569573565.db2.gz DHYNGVAHYJAHNA-UHFFFAOYSA-N 0 0 425.268 2.528 50 0 IFAARN O=C(NCc1nnc2ccccn21)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000009949571 569574302 /nfs/dbraw/zinc/57/43/02/569574302.db2.gz MBRXAVBFKPAJSK-UHFFFAOYSA-N 0 0 447.948 2.877 50 0 IFAARN COc1ccccc1NC(=O)CN1C2=C(C(=O)OC2)[C@@H](c2ccc(SC)cc2)NC1=O ZINC000071326801 569575028 /nfs/dbraw/zinc/57/50/28/569575028.db2.gz CPFLDDFNHOHFDM-HXUWFJFHSA-N 0 0 439.493 2.933 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)NCc3ccccc3Cl)c2C)c1 ZINC000071327098 569575084 /nfs/dbraw/zinc/57/50/84/569575084.db2.gz JOHIXPBDKQSWCV-UHFFFAOYSA-N 0 0 443.891 2.826 50 0 IFAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)c(OC)c1 ZINC000071327042 569575071 /nfs/dbraw/zinc/57/50/71/569575071.db2.gz CKDOSMTZQNEPJZ-UHFFFAOYSA-N 0 0 431.399 2.773 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2OC)c1C ZINC000071327047 569575085 /nfs/dbraw/zinc/57/50/85/569575085.db2.gz LAGNUWJMTYXKEJ-UHFFFAOYSA-N 0 0 437.456 2.663 50 0 IFAARN Cc1c(C(=O)Nc2ccccc2Cl)nnn1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000071327467 569575334 /nfs/dbraw/zinc/57/53/34/569575334.db2.gz GETZWFPRNHOKQF-UHFFFAOYSA-N 0 0 427.848 2.537 50 0 IFAARN O=C(COC(=O)CSc1nnc(NC2CCCCC2)s1)NC(=O)Cc1ccccc1 ZINC000009960811 569575501 /nfs/dbraw/zinc/57/55/01/569575501.db2.gz FIIWLNRAXBIPCF-UHFFFAOYSA-N 0 0 448.570 2.804 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000009961332 569575556 /nfs/dbraw/zinc/57/55/56/569575556.db2.gz DIWIPYCLHWEQEO-CVEARBPZSA-N 0 0 434.514 2.711 50 0 IFAARN COC(=O)c1sccc1NC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O ZINC000009961001 569575585 /nfs/dbraw/zinc/57/55/85/569575585.db2.gz LYBDQPZOMJBKEI-UHFFFAOYSA-N 0 0 434.477 2.869 50 0 IFAARN CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 ZINC000009962369 569575696 /nfs/dbraw/zinc/57/56/96/569575696.db2.gz HDMBQXYIQLKLKW-AWEZNQCLSA-N 0 0 447.513 2.516 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N1c2ccccc2C[C@@H]1C ZINC000009968970 569575945 /nfs/dbraw/zinc/57/59/45/569575945.db2.gz BPHYXUFUXYOVOO-ZDUSSCGKSA-N 0 0 430.555 2.774 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(F)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000009971313 569576286 /nfs/dbraw/zinc/57/62/86/569576286.db2.gz XDEQSYRLARYLGC-QIPHDZALSA-N 0 0 428.510 2.999 50 0 IFAARN COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000009971656 569576324 /nfs/dbraw/zinc/57/63/24/569576324.db2.gz GHXBMSFSAANQEU-UHFFFAOYSA-N 0 0 441.465 2.514 50 0 IFAARN CCc1cc(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)sc1C ZINC000009985081 569576647 /nfs/dbraw/zinc/57/66/47/569576647.db2.gz ROKUUFWZWNSFCH-UHFFFAOYSA-N 0 0 435.571 2.757 50 0 IFAARN COc1ccc(-c2nc(COC(=O)C3CCN(S(C)(=O)=O)CC3)cs2)cc1OC ZINC000009984518 569576659 /nfs/dbraw/zinc/57/66/59/569576659.db2.gz GTAGPXMIEOUVSE-UHFFFAOYSA-N 0 0 440.543 2.542 50 0 IFAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 ZINC000009986645 569576731 /nfs/dbraw/zinc/57/67/31/569576731.db2.gz CPMDJFUTIYUKDJ-OSPHWJPCSA-N 0 0 431.496 2.825 50 0 IFAARN O=C(NC1CCC(O)CC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009988856 569576810 /nfs/dbraw/zinc/57/68/10/569576810.db2.gz LAROFFVTIHMOGL-UHFFFAOYSA-N 0 0 446.525 2.682 50 0 IFAARN Cc1[nH]c2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2c1C ZINC000009990716 569576916 /nfs/dbraw/zinc/57/69/16/569576916.db2.gz KRYWCAUEIYDICI-UHFFFAOYSA-N 0 0 433.555 2.797 50 0 IFAARN C[C@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000010016049 569577149 /nfs/dbraw/zinc/57/71/49/569577149.db2.gz OYDFKVRDNNAMOE-HNNXBMFYSA-N 0 0 437.452 2.702 50 0 IFAARN COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2C)c(=O)n1C ZINC000010102847 569577828 /nfs/dbraw/zinc/57/78/28/569577828.db2.gz CZRLQOOZQMSRSG-UHFFFAOYSA-N 0 0 431.496 2.722 50 0 IFAARN CCCCc1ccc(NCCN2N=C(C)[C@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000010108876 569577916 /nfs/dbraw/zinc/57/79/16/569577916.db2.gz YXJLGJXOXSPMMC-INIZCTEOSA-N 0 0 437.548 2.645 50 0 IFAARN O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccc2c(c1)OCO2 ZINC000010131925 569578085 /nfs/dbraw/zinc/57/80/85/569578085.db2.gz BTWPRQYXFVAHAZ-UHFFFAOYSA-N 0 0 442.269 2.718 50 0 IFAARN C[C@@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000010147317 569578111 /nfs/dbraw/zinc/57/81/11/569578111.db2.gz BNRDNCQINRRFLP-GFCCVEGCSA-N 0 0 442.946 2.791 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000010167147 569578325 /nfs/dbraw/zinc/57/83/25/569578325.db2.gz BTNDEMFNJCABMW-LLVKDONJSA-N 0 0 429.395 2.686 50 0 IFAARN NC(=O)c1oc2ccccc2c1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000010186828 569578465 /nfs/dbraw/zinc/57/84/65/569578465.db2.gz VMFYAAHGMRRLOP-UHFFFAOYSA-N 0 0 433.511 2.633 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)cc1 ZINC000010187765 569578698 /nfs/dbraw/zinc/57/86/98/569578698.db2.gz DRDCLPDDPNXCNC-UHFFFAOYSA-N 0 0 435.864 2.589 50 0 IFAARN CCOc1ccc2nc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)sc2c1 ZINC000010188054 569578781 /nfs/dbraw/zinc/57/87/81/569578781.db2.gz PJQUZYIDFCLBNY-UHFFFAOYSA-N 0 0 431.495 2.868 50 0 IFAARN CCOc1ccc2nc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4S3(=O)=O)sc2c1 ZINC000010188068 569578810 /nfs/dbraw/zinc/57/88/10/569578810.db2.gz XDBGYLBFUSLWMW-LLVKDONJSA-N 0 0 431.495 2.867 50 0 IFAARN C[C@@H](NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O)c1ccc(Br)cc1 ZINC000010198553 569578941 /nfs/dbraw/zinc/57/89/41/569578941.db2.gz AZKRJSGZFOEOFV-LLVKDONJSA-N 0 0 436.697 2.722 50 0 IFAARN Cc1c(C)n(-c2ccccc2O)c2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n12 ZINC000010233682 569579629 /nfs/dbraw/zinc/57/96/29/569579629.db2.gz WAMIJUJRNOBFRJ-UHFFFAOYSA-N 0 0 429.480 2.818 50 0 IFAARN Cc1c(C)n(-c2ccccc2O)c2nc3c(c(=O)n(Cc4ccccc4C)c(=O)n3C)n12 ZINC000010233681 569579657 /nfs/dbraw/zinc/57/96/57/569579657.db2.gz IRWPYHPWMCRXOG-UHFFFAOYSA-N 0 0 429.480 2.818 50 0 IFAARN CCOCCCn1c(C)cn2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C ZINC000010271954 569580152 /nfs/dbraw/zinc/58/01/52/569580152.db2.gz XOJFPYFEMWITAW-UHFFFAOYSA-N 0 0 429.908 2.586 50 0 IFAARN CCOc1ccccc1NC(=O)COC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1 ZINC000010272357 569580173 /nfs/dbraw/zinc/58/01/73/569580173.db2.gz WZOARUNIDRHOGE-UHFFFAOYSA-N 0 0 445.497 2.950 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(Cl)c2)NC(=O)N[C@H]1c1ccccc1 ZINC000010273527 569580276 /nfs/dbraw/zinc/58/02/76/569580276.db2.gz SODVVQQNPFAFLK-KRWDZBQOSA-N 0 0 438.864 2.734 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)s2)NC(=O)N[C@H]1c1ccccc1 ZINC000010273521 569580309 /nfs/dbraw/zinc/58/03/09/569580309.db2.gz HCLBLZWEXYRKSY-HNNXBMFYSA-N 0 0 426.903 2.656 50 0 IFAARN CCc1noc(-c2cccnc2-n2cnc(C(=O)N3CCN(c4ccccc4)CC3)c2)n1 ZINC000071768247 569580627 /nfs/dbraw/zinc/58/06/27/569580627.db2.gz QKDMEKCDHDMKQH-UHFFFAOYSA-N 0 0 429.484 2.842 50 0 IFAARN COc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccc(C)cc4)CC3)nc2N)cc1 ZINC000071772096 569580885 /nfs/dbraw/zinc/58/08/85/569580885.db2.gz BMEODVZGRYDOOH-UHFFFAOYSA-N 0 0 439.541 2.535 50 0 IFAARN CC(=O)c1ccc(N2CCN(c3ncc(C(=O)NCc4ccccc4F)c(N)n3)CC2)cc1 ZINC000071772288 569580908 /nfs/dbraw/zinc/58/09/08/569580908.db2.gz ABGZYOYXMFOGLA-UHFFFAOYSA-N 0 0 448.502 2.657 50 0 IFAARN COc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(C(C)=O)cc3)nn2)cc1 ZINC000010324485 569580978 /nfs/dbraw/zinc/58/09/78/569580978.db2.gz XTYLRGUPXCPXFN-UHFFFAOYSA-N 0 0 427.482 2.712 50 0 IFAARN COc1ccc(CCNC(=O)CSc2ncc(CO)n2Cc2ccccc2)cc1OC ZINC000010336335 569581086 /nfs/dbraw/zinc/58/10/86/569581086.db2.gz NZIRDCIQTQMULU-UHFFFAOYSA-N 0 0 441.553 2.892 50 0 IFAARN COc1cccc(C(=O)N2CCN(c3nc4c(cccc4S(C)(=O)=O)s3)CC2)c1 ZINC000010337243 569581231 /nfs/dbraw/zinc/58/12/31/569581231.db2.gz OSOAFSDTCDPUIP-UHFFFAOYSA-N 0 0 431.539 2.671 50 0 IFAARN CNC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000010337535 569581326 /nfs/dbraw/zinc/58/13/26/569581326.db2.gz PJZXNUVTPBINPS-UHFFFAOYSA-N 0 0 441.962 2.801 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000010382289 569581735 /nfs/dbraw/zinc/58/17/35/569581735.db2.gz RZQOEGVVQICQNB-UHFFFAOYSA-N 0 0 444.431 2.987 50 0 IFAARN CCN(CC(=O)Nc1ccc(C)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010430628 569582013 /nfs/dbraw/zinc/58/20/13/569582013.db2.gz GKKXOSAUVWBPGR-UHFFFAOYSA-N 0 0 441.919 2.594 50 0 IFAARN CCN(Cc1ccccc1Br)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010431116 569582085 /nfs/dbraw/zinc/58/20/85/569582085.db2.gz HQCIAJYJPHXCPH-UHFFFAOYSA-N 0 0 429.318 2.956 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccc(Br)s1)C2=O ZINC000010502425 569582602 /nfs/dbraw/zinc/58/26/02/569582602.db2.gz INUVDKUECQKEJF-UHFFFAOYSA-N 0 0 428.352 2.670 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000010511630 569582621 /nfs/dbraw/zinc/58/26/21/569582621.db2.gz JQGXBAAZXZWBPB-CYBMUJFWSA-N 0 0 448.975 2.597 50 0 IFAARN O=C(CSc1nnc(N2CCCC2)n1C[C@H]1CCCO1)Nc1ccc2c(c1)OCO2 ZINC000010516855 569582689 /nfs/dbraw/zinc/58/26/89/569582689.db2.gz RXTKJRFGXOSSHM-OAHLLOKOSA-N 0 0 431.518 2.517 50 0 IFAARN COC(=O)c1nc(NC(=O)c2nn(C)c(=O)c3ccccc32)sc1-c1ccc(F)cc1 ZINC000095480042 569583791 /nfs/dbraw/zinc/58/37/91/569583791.db2.gz LUASQWFGERXPPZ-UHFFFAOYSA-N 0 0 438.440 3.235 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(c2nc(-c3ccsc3)no2)C1 ZINC000077099597 569585217 /nfs/dbraw/zinc/58/52/17/569585217.db2.gz MZIQGHSRTXOBPX-UHFFFAOYSA-N 0 0 444.538 2.822 50 0 IFAARN CCOc1ccccc1NC(=O)CN1CC(c2nc(-c3cccc(C(=O)NC)c3)no2)C1 ZINC000077099592 569585224 /nfs/dbraw/zinc/58/52/24/569585224.db2.gz VHEFPKRZFVCBJD-UHFFFAOYSA-N 0 0 435.484 2.533 50 0 IFAARN Cc1cc(S(=O)(=O)N2CC(c3nc(-c4ccc[nH]c4=O)no3)C2)c(Cl)cc1Cl ZINC000077099651 569585229 /nfs/dbraw/zinc/58/52/29/569585229.db2.gz ZALLKHTZUGKPFV-UHFFFAOYSA-N 0 0 441.296 2.828 50 0 IFAARN O=C(CSc1nc2ccccc2s1)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 ZINC000077099614 569585237 /nfs/dbraw/zinc/58/52/37/569585237.db2.gz SVEHCNVDJQCNCZ-UHFFFAOYSA-N 0 0 425.495 2.753 50 0 IFAARN COCCn1nnn(-c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)c1=O ZINC000077100122 569585266 /nfs/dbraw/zinc/58/52/66/569585266.db2.gz ABPHSFKLHALZCW-UHFFFAOYSA-N 0 0 431.880 2.525 50 0 IFAARN COc1ccc(/C=C/C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc1OC ZINC000077100042 569585321 /nfs/dbraw/zinc/58/53/21/569585321.db2.gz OUUZCXMNDOUWEU-VQHVLOKHSA-N 0 0 446.511 2.867 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCc2nc(C3CC3)cc(C(F)(F)F)n2)cc1 ZINC000077101168 569585563 /nfs/dbraw/zinc/58/55/63/569585563.db2.gz ZXLVXSLPSNWRME-UHFFFAOYSA-N 0 0 442.463 2.596 50 0 IFAARN CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCC[C@H](O)c3cccs3)cc21 ZINC000077115802 569585669 /nfs/dbraw/zinc/58/56/69/569585669.db2.gz SEDFECGFDBLVJE-SFHVURJKSA-N 0 0 429.542 2.862 50 0 IFAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1cc(-c2cccs2)[nH]n1 ZINC000077154557 569585737 /nfs/dbraw/zinc/58/57/37/569585737.db2.gz PPXPMXLNFUZWAG-UHFFFAOYSA-N 0 0 435.556 2.697 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CN1CCc2nc(NC(=O)C3CC3)sc2C1 ZINC000077191966 569586039 /nfs/dbraw/zinc/58/60/39/569586039.db2.gz BZQILWOFZBKOPT-UHFFFAOYSA-N 0 0 428.514 2.665 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)OC2CN(c3nc4ccc(F)cc4s3)C2)cc1 ZINC000077200609 569586492 /nfs/dbraw/zinc/58/64/92/569586492.db2.gz HDNHUOKPSMPRMB-UHFFFAOYSA-N 0 0 435.502 2.731 50 0 IFAARN COCCN(Cc1ccsc1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000077200837 569586553 /nfs/dbraw/zinc/58/65/53/569586553.db2.gz NAXQAVAAQFWSRS-UHFFFAOYSA-N 0 0 444.600 2.515 50 0 IFAARN COc1ccc(OC)c([C@@H](c2c([O-])[nH]c(=O)[nH]c2=O)[N@H+](Cc2ccccc2)C(C)C)c1 ZINC000020156015 569587009 /nfs/dbraw/zinc/58/70/09/569587009.db2.gz OOQDKWNVBBFPJS-FQEVSTJZSA-N 0 0 425.485 2.786 50 0 IFAARN CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(c2ccc(Cl)cc2F)CC1 ZINC000023335129 569587260 /nfs/dbraw/zinc/58/72/60/569587260.db2.gz WTUJGMLYLGZKNQ-UHFFFAOYSA-N 0 0 432.887 2.657 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2cc(C(=O)N3CCCC3)ccn2)CC1 ZINC000033073811 569587344 /nfs/dbraw/zinc/58/73/44/569587344.db2.gz UBLIYOOJCOIMJX-UHFFFAOYSA-N 0 0 436.512 2.944 50 0 IFAARN CN1OC[C@@H](S(=O)(=O)NCc2ccc3c(c2)OCO3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000034738654 569587579 /nfs/dbraw/zinc/58/75/79/569587579.db2.gz GUCXQRCXTYLZAZ-QZTJIDSGSA-N 0 0 444.431 2.840 50 0 IFAARN NC1=C(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)C(=O)CN1CCN1CCOCC1 ZINC000034769833 569587602 /nfs/dbraw/zinc/58/76/02/569587602.db2.gz NVIUEJYVTRXPFS-UHFFFAOYSA-N 0 0 438.475 2.673 50 0 IFAARN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NCc3ccccn3)cc21 ZINC000040450400 569588101 /nfs/dbraw/zinc/58/81/01/569588101.db2.gz DEEDAJNDIIVOQQ-UHFFFAOYSA-N 0 0 436.331 2.622 50 0 IFAARN COCCN(C[C@H]1CN(C(=O)c2ccco2)CCO1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000037611088 569588113 /nfs/dbraw/zinc/58/81/13/569588113.db2.gz UAVFORLXGDYNIK-KRWDZBQOSA-N 0 0 440.418 2.928 50 0 IFAARN COc1ccc(OC)c(-c2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)nn2)c1 ZINC000013663109 536823276 /nfs/dbraw/zinc/82/32/76/536823276.db2.gz AJUZLJJVKFLPNC-UHFFFAOYSA-N 0 0 446.554 2.733 50 0 IFAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000001774452 291344248 /nfs/dbraw/zinc/34/42/48/291344248.db2.gz NLPNTCULNCBQAK-FQEVSTJZSA-N 0 0 434.448 2.862 50 0 biogenic,in-vitro IFAARN COc1ccc(Cl)cc1N(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccccc1 ZINC000000621927 193859457 /nfs/dbraw/zinc/85/94/57/193859457.db2.gz AZUOEGKUUDXTPE-INIZCTEOSA-N 0 0 438.933 2.839 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1OC ZINC000000647797 193870891 /nfs/dbraw/zinc/87/08/91/193870891.db2.gz WDJCIUJFMAOOFZ-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c(OC)c1 ZINC000000652948 193872997 /nfs/dbraw/zinc/87/29/97/193872997.db2.gz BCMWCTJLMYVZLZ-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(N)=O)n2-c1ccc(OC)cc1 ZINC000006153373 193885876 /nfs/dbraw/zinc/88/58/76/193885876.db2.gz IYTKYNNQVDQHEE-UHFFFAOYSA-N 0 0 448.570 2.642 50 0 IFAARN COCCCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009845886 193904409 /nfs/dbraw/zinc/90/44/09/193904409.db2.gz BOZBZTWBVHBGIT-UHFFFAOYSA-N 0 0 428.913 2.823 50 0 IFAARN Cc1c(C)n2c(nc3c2c(=O)n(C/C=C\c2ccccc2)c(=O)n3C)n1C[C@@H]1CCCO1 ZINC000006300127 193897149 /nfs/dbraw/zinc/89/71/49/193897149.db2.gz GRKXAVDYTGBOHA-ABMFHFBKSA-N 0 0 433.512 2.659 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)N[C@H](C)c4cccc(OC)c4)ncn3n2)cc1 ZINC000051316946 193924154 /nfs/dbraw/zinc/92/41/54/193924154.db2.gz RYQMPKBETDXKPY-MRXNPFEDSA-N 0 0 447.495 2.843 50 0 IFAARN CC(C)(C)c1csc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)n1 ZINC000096232623 193939474 /nfs/dbraw/zinc/93/94/74/193939474.db2.gz OZWUQPHJMCQFTM-LBPRGKRZSA-N 0 0 430.486 2.619 50 0 IFAARN COc1cccc2c1ccn2CCNC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000096223546 193936671 /nfs/dbraw/zinc/93/66/71/193936671.db2.gz FSPWBYRICJXERO-IBGZPJMESA-N 0 0 434.496 2.667 50 0 IFAARN O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)NCc1ccccc1 ZINC000009235323 132228252 /nfs/dbraw/zinc/22/82/52/132228252.db2.gz ITUJDYJHXISXHW-UHFFFAOYSA-N 0 0 436.541 2.860 50 0 IFAARN COc1ccccc1N1C[C@@H](C)Cn2c3c(nc21)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000009519226 132233077 /nfs/dbraw/zinc/23/30/77/132233077.db2.gz CPZVGDXDXKMOBU-QGZVFWFLSA-N 0 0 445.523 2.936 50 0 IFAARN O=C(/C=C/c1ccccc1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009569827 132234803 /nfs/dbraw/zinc/23/48/03/132234803.db2.gz WCOBDQKDLHHHEY-MDZDMXLPSA-N 0 0 433.961 2.621 50 0 IFAARN O=C1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc3c2N1CC3 ZINC000009708731 132236897 /nfs/dbraw/zinc/23/68/97/132236897.db2.gz BTMQVXQSSOICDP-UHFFFAOYSA-N 0 0 431.945 2.686 50 0 IFAARN COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(OC)cc1Br ZINC000001172536 132238259 /nfs/dbraw/zinc/23/82/59/132238259.db2.gz HTTMSAKMTNDBOH-UHFFFAOYSA-N 0 0 441.347 2.977 50 0 IFAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)C(=O)NC1CCCC1 ZINC000009739398 132240466 /nfs/dbraw/zinc/24/04/66/132240466.db2.gz QFNMUFIHNQRTDP-UHFFFAOYSA-N 0 0 433.555 2.887 50 0 IFAARN COc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)CC3CCCCC3)CC2)cc1 ZINC000009850068 132241813 /nfs/dbraw/zinc/24/18/13/132241813.db2.gz SGXDTNNDEXXVDF-UHFFFAOYSA-N 0 0 435.532 2.838 50 0 IFAARN Cc1cc(C)cc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)c1 ZINC000009851690 132242278 /nfs/dbraw/zinc/24/22/78/132242278.db2.gz BRKAXORFSGNKCR-UHFFFAOYSA-N 0 0 427.512 2.849 50 0 IFAARN Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1C ZINC000009851692 132242307 /nfs/dbraw/zinc/24/23/07/132242307.db2.gz JRIFXVKTAXHFNU-UHFFFAOYSA-N 0 0 427.512 2.849 50 0 IFAARN O=C(NC[C@H]1C[C@@H]2c3ccccc3CCN2O1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000001388728 132244858 /nfs/dbraw/zinc/24/48/58/132244858.db2.gz RSPLRIXLWYQLRT-IEBWSBKVSA-N 0 0 427.936 2.766 50 0 IFAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000002400855 132253794 /nfs/dbraw/zinc/25/37/94/132253794.db2.gz SCBCGSKHDAOJBL-UHFFFAOYSA-N 0 0 425.464 2.639 50 0 IFAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000002591872 132255073 /nfs/dbraw/zinc/25/50/73/132255073.db2.gz MDRRNSRBSNPMGZ-UHFFFAOYSA-N 0 0 437.949 2.748 50 0 IFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000002639432 132255721 /nfs/dbraw/zinc/25/57/21/132255721.db2.gz LHGYTJDRSKZZAJ-HSZRJFAPSA-N 0 0 441.597 2.729 50 0 aggregator IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000002786406 132257098 /nfs/dbraw/zinc/25/70/98/132257098.db2.gz KBYBARVBCGTAKY-FQEVSTJZSA-N 0 0 427.570 2.745 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000002859203 132257816 /nfs/dbraw/zinc/25/78/16/132257816.db2.gz SQMWDEALQVCFBG-UHFFFAOYSA-N 0 0 444.504 2.872 50 0 IFAARN Cc1cc(C)cc(N([C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c1 ZINC000002885292 132258223 /nfs/dbraw/zinc/25/82/23/132258223.db2.gz KCWUEQSOFXQRMR-SFHVURJKSA-N 0 0 433.549 2.946 50 0 IFAARN CCn1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c(=O)c2ccc(C)nc21 ZINC000003307483 132263735 /nfs/dbraw/zinc/26/37/35/132263735.db2.gz YQTUPPRXOZUWRR-UHFFFAOYSA-N 0 0 448.479 2.646 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)COc1nc2ccccc2nc1N1CCOCC1 ZINC000003367557 132264618 /nfs/dbraw/zinc/26/46/18/132264618.db2.gz VWCZKCQVSQULHI-UHFFFAOYSA-N 0 0 436.468 2.661 50 0 IFAARN CCCS(=O)(=O)Nc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1 ZINC000004388317 132271650 /nfs/dbraw/zinc/27/16/50/132271650.db2.gz UNIYPCLBCBPVNO-UHFFFAOYSA-N 0 0 429.468 2.974 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1C ZINC000004571114 132272370 /nfs/dbraw/zinc/27/23/70/132272370.db2.gz HNEZNGXGJMRTND-UHFFFAOYSA-N 0 0 429.590 2.985 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000004711109 132272733 /nfs/dbraw/zinc/27/27/33/132272733.db2.gz YVWJGMQTCWLNNE-LJQANCHMSA-N 0 0 427.520 2.628 50 0 IFAARN O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 ZINC000004762748 132273642 /nfs/dbraw/zinc/27/36/42/132273642.db2.gz WVCKHCFMKROGJN-NRFANRHFSA-N 0 0 449.523 2.857 50 0 IFAARN O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc21 ZINC000004905733 132274573 /nfs/dbraw/zinc/27/45/73/132274573.db2.gz GPJYZGVGRFHXPI-UHFFFAOYSA-N 0 0 425.554 2.887 50 0 IFAARN COc1cc(OC)cc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1 ZINC000004896481 132274614 /nfs/dbraw/zinc/27/46/14/132274614.db2.gz IUZKUGSQHPFCLI-UHFFFAOYSA-N 0 0 427.501 2.629 50 0 IFAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)cc1 ZINC000006577894 132277975 /nfs/dbraw/zinc/27/79/75/132277975.db2.gz OKULZUFJSDIYHC-UHFFFAOYSA-N 0 0 425.510 2.919 50 0 IFAARN C[C@@H]1CCc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000007217590 132280500 /nfs/dbraw/zinc/28/05/00/132280500.db2.gz MNFSPGVFEGUZKI-LJQANCHMSA-N 0 0 427.570 2.502 50 0 IFAARN Cc1ccccc1N1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)CC1 ZINC000008587939 132282817 /nfs/dbraw/zinc/28/28/17/132282817.db2.gz XTMOVKWCUKALBY-UHFFFAOYSA-N 0 0 443.554 2.610 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)CC1 ZINC000008588829 132283292 /nfs/dbraw/zinc/28/32/92/132283292.db2.gz DECOKUQXIVJHPY-UHFFFAOYSA-N 0 0 436.965 2.723 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c4ccsc4c(N4CCOCC4)nc23)c1 ZINC000008589425 132283489 /nfs/dbraw/zinc/28/34/89/132283489.db2.gz UUFXAVYQCCJGAI-UHFFFAOYSA-N 0 0 429.527 2.625 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccccc2C)[C@](C)(C(=O)NC2CCCCC2)C1 ZINC000008590801 132283825 /nfs/dbraw/zinc/28/38/25/132283825.db2.gz ZLMLGNSKIYOGRY-QFIPXVFZSA-N 0 0 435.590 2.591 50 0 IFAARN Cn1cc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000008610092 132288038 /nfs/dbraw/zinc/28/80/38/132288038.db2.gz TWNLONBXYMTBCV-UHFFFAOYSA-N 0 0 448.564 2.691 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CCCn3ncn4c5ccoc5cc4c3=O)CC2)c1C ZINC000008611248 132288451 /nfs/dbraw/zinc/28/84/51/132288451.db2.gz QDZKODXHEKQZCM-UHFFFAOYSA-N 0 0 433.512 2.988 50 0 IFAARN Cc1ccc(CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@@H]3C2=O)cc1 ZINC000008666615 132289777 /nfs/dbraw/zinc/28/97/77/132289777.db2.gz SYHWVWWMKAQUHU-OAQYLSRUSA-N 0 0 441.553 2.532 50 0 IFAARN COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000008673447 132290150 /nfs/dbraw/zinc/29/01/50/132290150.db2.gz CBDFZHRJEWPPNO-UHFFFAOYSA-N 0 0 445.541 2.562 50 0 IFAARN O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000008706756 132291153 /nfs/dbraw/zinc/29/11/53/132291153.db2.gz JPRRBRIITKYPEB-XMMPIXPASA-N 0 0 448.567 2.615 50 0 IFAARN CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCN(c4ccc(F)cc4)CC3)=N2)cc1 ZINC000008758250 132293305 /nfs/dbraw/zinc/29/33/05/132293305.db2.gz YWCLTHXCJLXWJU-NRFANRHFSA-N 0 0 437.519 2.954 50 0 IFAARN Cc1nc2c3c(C)c(C)sc3nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)n2n1 ZINC000009052105 132301204 /nfs/dbraw/zinc/30/12/04/132301204.db2.gz GELBNGFOMYWFHI-UHFFFAOYSA-N 0 0 442.570 2.775 50 0 IFAARN CC(=O)N1CCN(c2ccc(NC(=O)CSc3n[nH]c(-c4ccccc4)n3)cc2)CC1 ZINC000009096083 132302834 /nfs/dbraw/zinc/30/28/34/132302834.db2.gz OXWUIRJHMMJPGB-UHFFFAOYSA-N 0 0 436.541 2.871 50 0 IFAARN COc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCc2ccccc2)c4=O)c1 ZINC000009110005 132303054 /nfs/dbraw/zinc/30/30/54/132303054.db2.gz LYNYLQRTUMQIOX-KRWDZBQOSA-N 0 0 445.523 2.936 50 0 IFAARN CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000009125998 132305184 /nfs/dbraw/zinc/30/51/84/132305184.db2.gz DNBFBDKQOGIAIW-HXUWFJFHSA-N 0 0 449.960 2.502 50 0 IFAARN CCCn1c2ccccc2c2cnn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c21 ZINC000009153397 132307000 /nfs/dbraw/zinc/30/70/00/132307000.db2.gz CDQTZGIMHCNADS-UHFFFAOYSA-N 0 0 430.512 2.505 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C ZINC000009158632 132307250 /nfs/dbraw/zinc/30/72/50/132307250.db2.gz RCWVGOATKJUUTE-INIZCTEOSA-N 0 0 443.500 2.829 50 0 IFAARN CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)CC1 ZINC000009192686 132308174 /nfs/dbraw/zinc/30/81/74/132308174.db2.gz HRPDMIKNTMHGSX-UHFFFAOYSA-N 0 0 449.401 2.716 50 0 IFAARN O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccccc1O ZINC000009192197 132308175 /nfs/dbraw/zinc/30/81/75/132308175.db2.gz PHBASPHYFTWVHD-UHFFFAOYSA-N 0 0 438.513 2.888 50 0 IFAARN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000009204557 132308422 /nfs/dbraw/zinc/30/84/22/132308422.db2.gz BVKQWDNAEDGKRA-GOSISDBHSA-N 0 0 449.555 2.830 50 0 IFAARN O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009207450 132308472 /nfs/dbraw/zinc/30/84/72/132308472.db2.gz SUNUWSNOHLTCDO-MRXNPFEDSA-N 0 0 437.566 2.709 50 0 IFAARN O=C(COc1cccc(-n2cnnn2)c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009221278 132309447 /nfs/dbraw/zinc/30/94/47/132309447.db2.gz BTYYJMOTNQXOKB-UHFFFAOYSA-N 0 0 448.405 2.535 50 0 IFAARN CN1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccc(Cl)cc2)cn3C)CC1 ZINC000009435331 132317492 /nfs/dbraw/zinc/31/74/92/132317492.db2.gz BNNXNJBATGBIQP-UHFFFAOYSA-N 0 0 449.935 2.916 50 0 IFAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cccc(C)c2)cn3C)CC1 ZINC000009435530 132317566 /nfs/dbraw/zinc/31/75/66/132317566.db2.gz PEXRUKSAHYFEPS-UHFFFAOYSA-N 0 0 443.544 2.961 50 0 IFAARN CN1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cccc(Cl)c2)cn3C)CC1 ZINC000009435706 132317573 /nfs/dbraw/zinc/31/75/73/132317573.db2.gz ANOPANSREPCUQI-UHFFFAOYSA-N 0 0 449.935 2.916 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1C ZINC000009512082 132320067 /nfs/dbraw/zinc/32/00/67/132320067.db2.gz HXQNAINWGQERFW-NRFANRHFSA-N 0 0 444.553 2.735 50 0 IFAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCN(C(C)=O)CC3)c2c1C ZINC000009592027 132322535 /nfs/dbraw/zinc/32/25/35/132322535.db2.gz HSWHXQYTBKXWQE-UHFFFAOYSA-N 0 0 445.589 2.831 50 0 IFAARN O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)N[C@H]1CCS(=O)(=O)C1 ZINC000009612404 132323545 /nfs/dbraw/zinc/32/35/45/132323545.db2.gz RSRYETPJWJGTIN-HNNXBMFYSA-N 0 0 446.550 2.526 50 0 IFAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1CCN(c2ccc(O)cc2)CC1 ZINC000009645923 132324775 /nfs/dbraw/zinc/32/47/75/132324775.db2.gz QEUFIMFFBQCPGT-UHFFFAOYSA-N 0 0 436.541 2.822 50 0 IFAARN NC(=O)N[C@H](CC(=O)N1CCN(c2ncccn2)CC1)c1cccc(Oc2ccccc2)c1 ZINC000009712393 132326918 /nfs/dbraw/zinc/32/69/18/132326918.db2.gz GCVGGSPUQRMUFP-OAQYLSRUSA-N 0 0 446.511 2.717 50 0 IFAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCN(c2ccccn2)CC1 ZINC000009713658 132327100 /nfs/dbraw/zinc/32/71/00/132327100.db2.gz PUUCXSFJMOEGBY-UHFFFAOYSA-N 0 0 431.521 2.869 50 0 IFAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O ZINC000009793387 132329227 /nfs/dbraw/zinc/32/92/27/132329227.db2.gz PDKAGIHHEKMLNV-XMMPIXPASA-N 0 0 428.448 2.592 50 0 IFAARN CNC(=O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)c2ccccc2O1 ZINC000009869942 132330656 /nfs/dbraw/zinc/33/06/56/132330656.db2.gz FYBKFWOJTSLKMF-HTAPYJJXSA-N 0 0 429.476 2.733 50 0 IFAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCN(c2ncccn2)CC1 ZINC000009876054 132330774 /nfs/dbraw/zinc/33/07/74/132330774.db2.gz UNIQYZGCKZMDQI-UHFFFAOYSA-N 0 0 427.559 2.572 50 0 IFAARN CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000009885502 132330977 /nfs/dbraw/zinc/33/09/77/132330977.db2.gz JMMLYFNGWOYIQK-KRWDZBQOSA-N 0 0 439.578 2.513 50 0 IFAARN Cn1c(SCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)nnc1-c1ccco1 ZINC000009951381 132332687 /nfs/dbraw/zinc/33/26/87/132332687.db2.gz SZGFCZIFNJIRDC-UHFFFAOYSA-N 0 0 432.527 2.762 50 0 IFAARN Cc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc(S(=O)(=O)N(C)C)c1C ZINC000010900949 132336628 /nfs/dbraw/zinc/33/66/28/132336628.db2.gz GSNMCDMAKOMWNR-UHFFFAOYSA-N 0 0 445.585 2.663 50 0 IFAARN Cc1cc(N2CCN(C(=O)COc3ccc(N4CCCC4=O)cc3)CC2)nc(C(C)C)n1 ZINC000011077601 132337215 /nfs/dbraw/zinc/33/72/15/132337215.db2.gz CDSISYLGPWCTNY-UHFFFAOYSA-N 0 0 437.544 2.763 50 0 IFAARN Cc1sc2ncnc(N3CCC(C(=O)NCCc4nnc5ccccn54)CC3)c2c1C ZINC000011546818 132337886 /nfs/dbraw/zinc/33/78/86/132337886.db2.gz DWKMQDVDCUQKOO-UHFFFAOYSA-N 0 0 435.557 2.926 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)c(OC)c1 ZINC000011695334 132338700 /nfs/dbraw/zinc/33/87/00/132338700.db2.gz VZMRNTNQNWMXSQ-UHFFFAOYSA-N 0 0 440.525 2.672 50 0 IFAARN Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)nn2)c1 ZINC000011696924 132338891 /nfs/dbraw/zinc/33/88/91/132338891.db2.gz DYKPNRHOEDKLPZ-UHFFFAOYSA-N 0 0 442.479 2.992 50 0 IFAARN Cc1cccc(Nc2ccc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)nn2)n1 ZINC000011697228 132338986 /nfs/dbraw/zinc/33/89/86/132338986.db2.gz FWCOIDGRNFUSIC-UHFFFAOYSA-N 0 0 442.479 2.992 50 0 IFAARN CN(C[C@@H]1COCCO1)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000011838289 132340521 /nfs/dbraw/zinc/34/05/21/132340521.db2.gz KBNDZZDZQNTAKA-HXUWFJFHSA-N 0 0 436.556 2.723 50 0 IFAARN Cc1cccc(N2CCN(C(=O)c3cccc(N4C(=O)[C@@H](C)CS4(=O)=O)c3)CC2)c1C ZINC000011859435 132340670 /nfs/dbraw/zinc/34/06/70/132340670.db2.gz LWUUVNHHLHDJSU-KRWDZBQOSA-N 0 0 441.553 2.578 50 0 IFAARN Cc1sc2nc(CS[C@H](C)C(=O)N3CCN(c4ccccn4)CC3)[nH]c(=O)c2c1C ZINC000012978761 132341278 /nfs/dbraw/zinc/34/12/78/132341278.db2.gz SMWSUHOYMFZXQX-OAHLLOKOSA-N 0 0 443.598 2.967 50 0 IFAARN Cc1ccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(C)cc3)CC2)cc1 ZINC000013036868 132342893 /nfs/dbraw/zinc/34/28/93/132342893.db2.gz WRBARSYNMOVTBH-UHFFFAOYSA-N 0 0 443.511 2.555 50 0 IFAARN Cc1ccccc1N1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000013056949 132343550 /nfs/dbraw/zinc/34/35/50/132343550.db2.gz MPQKRNHCKLKXKE-UHFFFAOYSA-N 0 0 442.585 2.540 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CN1CCN(c3ccc(C(F)(F)F)cn3)CC1)C2=O ZINC000013062026 132343797 /nfs/dbraw/zinc/34/37/97/132343797.db2.gz ORQCUSFQXXZKCZ-UHFFFAOYSA-N 0 0 425.455 2.681 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(c3nc(Cl)nc4nc[nH]c43)CC2)cc1OC ZINC000013571150 132350740 /nfs/dbraw/zinc/35/07/40/132350740.db2.gz XNFUSUSYLHVHGT-UHFFFAOYSA-N 0 0 444.923 2.599 50 0 IFAARN COc1ccc(-c2ccc(N3CCN(C(=O)COc4ccc5c(c4)OCO5)CC3)nn2)cc1 ZINC000013664368 132352749 /nfs/dbraw/zinc/35/27/49/132352749.db2.gz NXPFPHOBMHYNRT-UHFFFAOYSA-N 0 0 448.479 2.609 50 0 IFAARN Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc4nnc(-c5ccco5)n4n3)CC2)c1 ZINC000013700658 132353796 /nfs/dbraw/zinc/35/37/96/132353796.db2.gz IGCUGZCDPOULCC-UHFFFAOYSA-N 0 0 432.484 2.729 50 0 IFAARN COc1cccc(C(=O)N2CCN(c3nc4sc5c(c4c(=O)n3C)CCCC5)CC2)c1 ZINC000013719472 132354047 /nfs/dbraw/zinc/35/40/47/132354047.db2.gz CIOLSEQMNHRGSO-UHFFFAOYSA-N 0 0 438.553 2.845 50 0 IFAARN O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 ZINC000013848283 132355115 /nfs/dbraw/zinc/35/51/15/132355115.db2.gz IFRUOBLBQIETTD-UHFFFAOYSA-N 0 0 444.904 2.549 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000014083077 132355973 /nfs/dbraw/zinc/35/59/73/132355973.db2.gz NODIQMXXARLUDG-UHFFFAOYSA-N 0 0 436.434 2.894 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)c1C ZINC000014129598 132356117 /nfs/dbraw/zinc/35/61/17/132356117.db2.gz HUMWQQAFKQRMDF-UHFFFAOYSA-N 0 0 439.468 2.944 50 0 IFAARN CSc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C(=O)N1CCCC1 ZINC000016649095 132357080 /nfs/dbraw/zinc/35/70/80/132357080.db2.gz CGAWTNSPDQJYKJ-UHFFFAOYSA-N 0 0 431.539 2.792 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@](C)(c3ccccc3Cl)C1=O)OCO2 ZINC000012772783 518293641 /nfs/dbraw/zinc/29/36/41/518293641.db2.gz DMBCSLRFIOLNAL-OAQYLSRUSA-N 0 0 443.843 2.677 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CN1CCC(C(=O)N3CCCCCC3)CC1)OCO2 ZINC000012812214 518293793 /nfs/dbraw/zinc/29/37/93/518293793.db2.gz IXWILILYQAJEEU-UHFFFAOYSA-N 0 0 429.517 2.671 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCCc2nc3ccccc3[nH]2)cc1 ZINC000012603606 518400590 /nfs/dbraw/zinc/40/05/90/518400590.db2.gz MGYFQMZSJAUWHR-UHFFFAOYSA-N 0 0 442.541 2.525 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1 ZINC000015636945 518403310 /nfs/dbraw/zinc/40/33/10/518403310.db2.gz SEJVKLXZZBAQJF-UHFFFAOYSA-N 0 0 433.555 2.874 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3csc4c3CCCC4)CC2)cc1 ZINC000012902252 518404710 /nfs/dbraw/zinc/40/47/10/518404710.db2.gz YPJYQSDWOTUFIP-UHFFFAOYSA-N 0 0 432.567 2.976 50 0 IFAARN CC(=O)c1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 ZINC000035518785 518427357 /nfs/dbraw/zinc/42/73/57/518427357.db2.gz LISJCPBBCNYQPT-UHFFFAOYSA-N 0 0 443.569 2.958 50 0 IFAARN CC(=O)c1cccc(NC(=O)C[C@@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 ZINC000020532643 518431907 /nfs/dbraw/zinc/43/19/07/518431907.db2.gz ZZTMQHJMBPVHLB-CYBMUJFWSA-N 0 0 430.482 2.720 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 ZINC000009390487 518458485 /nfs/dbraw/zinc/45/84/85/518458485.db2.gz JRIIMUXEYXFBQC-UHFFFAOYSA-N 0 0 444.509 2.700 50 0 IFAARN CC(C)(C)C(=O)Nc1ccc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1C(=O)[O-] ZINC000035422668 518590681 /nfs/dbraw/zinc/59/06/81/518590681.db2.gz JGPSLGZIZGGOJB-UHFFFAOYSA-N 0 0 430.549 2.680 50 0 IFAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000017597490 518702445 /nfs/dbraw/zinc/70/24/45/518702445.db2.gz RGBGDDZRUGVPKT-UHFFFAOYSA-N 0 0 437.496 2.723 50 0 IFAARN CC(C)(C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 ZINC000012878276 518736691 /nfs/dbraw/zinc/73/66/91/518736691.db2.gz AQXBBCFKRPCPIP-UHFFFAOYSA-N 0 0 438.575 2.918 50 0 IFAARN CC(C)(C)c1ccccc1OCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012618034 519060397 /nfs/dbraw/zinc/06/03/97/519060397.db2.gz QYTNDSSGDWATSV-UHFFFAOYSA-N 0 0 440.569 2.777 50 0 IFAARN CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)N1CCC(C)CC1 ZINC000021535812 519251390 /nfs/dbraw/zinc/25/13/90/519251390.db2.gz NJUODTDZOYOJPO-HXUWFJFHSA-N 0 0 435.590 2.913 50 0 IFAARN CC(C)Cc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)s1 ZINC000012527602 519469885 /nfs/dbraw/zinc/46/98/85/519469885.db2.gz XXTZJTGKLOWLLT-UHFFFAOYSA-N 0 0 437.591 2.839 50 0 IFAARN CC(=O)N1CCCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC1 ZINC000020782229 519529056 /nfs/dbraw/zinc/52/90/56/519529056.db2.gz OEQLFTDFUXSQQR-UHFFFAOYSA-N 0 0 436.622 2.701 50 0 IFAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)cc2)CC1 ZINC000022585946 519589111 /nfs/dbraw/zinc/58/91/11/519589111.db2.gz ZQHMMRWJABKJIV-SFHVURJKSA-N 0 0 443.569 2.647 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3sc4ncn(C)c(=O)c4c3C)ccc21 ZINC000012810980 519631140 /nfs/dbraw/zinc/63/11/40/519631140.db2.gz FZCYAQISMDAOKZ-LBPRGKRZSA-N 0 0 439.493 2.641 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000015775546 519639003 /nfs/dbraw/zinc/63/90/03/519639003.db2.gz PZCNACZRYVYBSJ-NRFANRHFSA-N 0 0 445.516 2.835 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)cc3C)cc2C[C@@H]1C ZINC000020529459 519639819 /nfs/dbraw/zinc/63/98/19/519639819.db2.gz HLDUMGBPZZMTGV-INIZCTEOSA-N 0 0 429.542 2.908 50 0 IFAARN CC(=O)NC(=O)CSc1nnc(NC(=O)CSc2nc3ccccc3s2)s1 ZINC000012379472 519640642 /nfs/dbraw/zinc/64/06/42/519640642.db2.gz NXTANOVKWDJILR-UHFFFAOYSA-N 0 0 439.569 2.633 50 0 IFAARN CC(C)CCN(C(=O)Cc1ccsc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012817925 519649006 /nfs/dbraw/zinc/64/90/06/519649006.db2.gz MTAPNNOIEIQAJP-UHFFFAOYSA-N 0 0 426.542 2.850 50 0 IFAARN CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)NCCC3=CCCCC3)cc2C(=O)N1C ZINC000021875797 519659772 /nfs/dbraw/zinc/65/97/72/519659772.db2.gz VACLEWSGUUCQFN-HSZRJFAPSA-N 0 0 429.565 2.510 50 0 IFAARN CC(=O)NCc1ccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)cc1 ZINC000012548705 519678455 /nfs/dbraw/zinc/67/84/55/519678455.db2.gz ZDSSUSQLJFXVTD-UHFFFAOYSA-N 0 0 441.303 2.657 50 0 IFAARN CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccccc4)CC3)n2)cc1 ZINC000035527715 519708621 /nfs/dbraw/zinc/70/86/21/519708621.db2.gz JAVFYSZATBXBHG-UHFFFAOYSA-N 0 0 447.495 2.831 50 0 IFAARN CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000024606249 519718114 /nfs/dbraw/zinc/71/81/14/519718114.db2.gz IDWMIOWYWWLZPM-UHFFFAOYSA-N 0 0 435.571 2.926 50 0 IFAARN CC(C)NC(=O)c1cn(CC[C@H]2CCCCN2C(=O)CCc2ccc3c(c2)OCO3)nn1 ZINC000011975625 519718460 /nfs/dbraw/zinc/71/84/60/519718460.db2.gz ZDTJEXXQEJCXPS-GOSISDBHSA-N 0 0 441.532 2.549 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)cc1 ZINC000021029433 519722410 /nfs/dbraw/zinc/72/24/10/519722410.db2.gz FWNHLJVPCMMUOO-UHFFFAOYSA-N 0 0 447.561 2.662 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NC2CC2)cc1 ZINC000035559431 519730786 /nfs/dbraw/zinc/73/07/86/519730786.db2.gz GFTLDHMWSQDEKW-OAQYLSRUSA-N 0 0 427.526 2.602 50 0 IFAARN CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1=O ZINC000020601606 519731960 /nfs/dbraw/zinc/73/19/60/519731960.db2.gz ULRYMSHGXPSSAG-DENIHFKCSA-N 0 0 435.524 2.664 50 0 IFAARN CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)c2coc3c2C(=O)CCC3)CC1=O ZINC000014534637 519732613 /nfs/dbraw/zinc/73/26/13/519732613.db2.gz GRKHOISGYFYPFG-SFHVURJKSA-N 0 0 439.512 2.719 50 0 IFAARN CC(C)OC(=O)C[C@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1 ZINC000016140040 519748658 /nfs/dbraw/zinc/74/86/58/519748658.db2.gz HEEYMOMHYNWCQG-HRZDDSQGSA-N 0 0 429.517 2.686 50 0 IFAARN CC(=O)Nc1nc(N2CCC(C(=O)NC3CCCC3)CC2)sc1C(=O)N1CCCC1 ZINC000035527949 519753105 /nfs/dbraw/zinc/75/31/05/519753105.db2.gz QJZOOACPPMTLAK-UHFFFAOYSA-N 0 0 433.578 2.613 50 0 IFAARN CC(C)COc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000035594977 519763544 /nfs/dbraw/zinc/76/35/44/519763544.db2.gz BZPBUKIRNHJESD-OAQYLSRUSA-N 0 0 432.542 2.600 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000020901445 519779625 /nfs/dbraw/zinc/77/96/25/519779625.db2.gz SVDKONYMOCFXHN-KRWDZBQOSA-N 0 0 443.573 2.985 50 0 IFAARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(C)c1ccccc1 ZINC000012596214 519781389 /nfs/dbraw/zinc/78/13/89/519781389.db2.gz XTACLJZZCFJUHO-UHFFFAOYSA-N 0 0 447.557 2.570 50 0 IFAARN CC(C)[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000009666760 519818379 /nfs/dbraw/zinc/81/83/79/519818379.db2.gz REBHIRRCRVXRFA-REWPJTCUSA-N 0 0 441.484 2.721 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCN(C)CC1 ZINC000020676065 519820002 /nfs/dbraw/zinc/82/00/02/519820002.db2.gz HTCWSXRPGXUFAC-IBGZPJMESA-N 0 0 425.558 2.615 50 0 IFAARN CC(C)c1cc(NC(=O)CSc2nnc(N3CCOCC3)n2-c2ccccc2)on1 ZINC000012534225 519833252 /nfs/dbraw/zinc/83/32/52/519833252.db2.gz ACWDANQNNMTXIY-UHFFFAOYSA-N 0 0 428.518 2.946 50 0 IFAARN CC(C)c1ccc(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000012551092 519834061 /nfs/dbraw/zinc/83/40/61/519834061.db2.gz DSUBWDFMTZPWLN-UHFFFAOYSA-N 0 0 441.601 2.511 50 0 IFAARN CC(C)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000012783116 519837957 /nfs/dbraw/zinc/83/79/57/519837957.db2.gz BQBHOICUVXJXOM-UHFFFAOYSA-N 0 0 432.542 2.526 50 0 IFAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NCCCc2ccccc2)C1=O ZINC000035534739 519849306 /nfs/dbraw/zinc/84/93/06/519849306.db2.gz OQDYKNQYGOFGQZ-UHFFFAOYSA-N 0 0 442.537 2.737 50 0 IFAARN CC(C)c1nnc(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)[nH]1 ZINC000021761047 519857738 /nfs/dbraw/zinc/85/77/38/519857738.db2.gz AWGMSTIARUXNST-UHFFFAOYSA-N 0 0 449.602 2.784 50 0 IFAARN CCCNC(=O)Cn1c(CN2CCOCC2)nc2scc(-c3cccs3)c2c1=O ZINC000023873384 519882346 /nfs/dbraw/zinc/88/23/46/519882346.db2.gz QOEFWZLYDWBPNL-UHFFFAOYSA-N 0 0 432.571 2.545 50 0 IFAARN CCCNC(=O)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccc(OC)cc2)CC1 ZINC000035992369 519883625 /nfs/dbraw/zinc/88/36/25/519883625.db2.gz RYAGOPXYAJOFBD-UHFFFAOYSA-N 0 0 435.532 2.943 50 0 IFAARN CC(C)c1nnc2ccc(N3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)nn21 ZINC000020723768 519893365 /nfs/dbraw/zinc/89/33/65/519893365.db2.gz SSRCOIBJRJHAHJ-UHFFFAOYSA-N 0 0 447.587 2.809 50 0 IFAARN CCOCCCNC(=O)c1ccccc1CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O ZINC000035458904 519895611 /nfs/dbraw/zinc/89/56/11/519895611.db2.gz IJMWBPDSPDTYSR-QFIPXVFZSA-N 0 0 435.524 2.994 50 0 IFAARN CCCn1nnc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)ccc21 ZINC000033023362 519896635 /nfs/dbraw/zinc/89/66/35/519896635.db2.gz SEZRZCKEMOKTIZ-UHFFFAOYSA-N 0 0 433.578 2.691 50 0 IFAARN CCN(C(=O)[C@H](C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@H]1CCS(=O)(=O)C1 ZINC000012847424 520042310 /nfs/dbraw/zinc/04/23/10/520042310.db2.gz AJRMNFKVAOTOAJ-HOCLYGCPSA-N 0 0 432.542 2.628 50 0 IFAARN CCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000012864592 520053506 /nfs/dbraw/zinc/05/35/06/520053506.db2.gz JEOUKXPLYYAMHV-UHFFFAOYSA-N 0 0 433.505 2.615 50 0 IFAARN CC(C)n1ncc2cc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3F)cnc21 ZINC000012774758 520085231 /nfs/dbraw/zinc/08/52/31/520085231.db2.gz DPGYMHXUTWUASJ-QGZVFWFLSA-N 0 0 431.493 2.943 50 0 IFAARN CCN(C)C(=O)[C@@H](C)N1CC2=C(C1=O)[C@@H](c1ccccc1C(F)(F)F)NC(=O)N2CC ZINC000035966485 520190102 /nfs/dbraw/zinc/19/01/02/520190102.db2.gz GQLOEWBQAJOGSS-SJKOYZFVSA-N 0 0 438.450 2.755 50 0 IFAARN CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)C1 ZINC000078935313 520244206 /nfs/dbraw/zinc/24/42/06/520244206.db2.gz LUOYEZYNERNJAV-KRWDZBQOSA-N 0 0 431.558 2.910 50 0 IFAARN CCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000035380006 520313825 /nfs/dbraw/zinc/31/38/25/520313825.db2.gz ZCMDEGPNAZFRRA-FQEVSTJZSA-N 0 0 448.523 2.880 50 0 IFAARN CCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012650754 520314502 /nfs/dbraw/zinc/31/45/02/520314502.db2.gz VCAYKYGYLKAEML-UHFFFAOYSA-N 0 0 439.940 2.839 50 0 IFAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000012480771 520352191 /nfs/dbraw/zinc/35/21/91/520352191.db2.gz JMGMPYKPDRIXKE-STQMWFEESA-N 0 0 438.311 2.732 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc(OC)cc1OC ZINC000012901562 520362657 /nfs/dbraw/zinc/36/26/57/520362657.db2.gz VMGVJMHBTYNMQV-UXBLZVDNSA-N 0 0 426.469 2.975 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000022034105 520491869 /nfs/dbraw/zinc/49/18/69/520491869.db2.gz ZBLZOTRWAZSFLA-DPWKNNTCSA-N 0 0 439.924 2.847 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035991567 520508953 /nfs/dbraw/zinc/50/89/53/520508953.db2.gz MJSNXJCRBLCQJJ-HXUWFJFHSA-N 0 0 447.507 2.614 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2C)[C@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870199 520517167 /nfs/dbraw/zinc/51/71/67/520517167.db2.gz DRFKTDWLJAWTHQ-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2cc(C)ccc2C)[C@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870193 520517194 /nfs/dbraw/zinc/51/71/94/520517194.db2.gz XENRWUJQWJDUKT-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@H](C)Oc2ccccc2)NC(=O)N[C@H]1c1cccs1 ZINC000012804791 520522654 /nfs/dbraw/zinc/52/26/54/520522654.db2.gz URJAHKXTDAFIAK-UGSOOPFHSA-N 0 0 430.482 2.930 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NC1CCCC1)C(=O)[C@H]1CCCCN21 ZINC000035445631 520555319 /nfs/dbraw/zinc/55/53/19/520555319.db2.gz AVHKXCNUMHIWTL-HXUWFJFHSA-N 0 0 426.561 2.933 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)[C@@H]1CCCCN21 ZINC000035445590 520556782 /nfs/dbraw/zinc/55/67/82/520556782.db2.gz QTHJWNLRHMSUKE-FQEVSTJZSA-N 0 0 426.561 2.887 50 0 IFAARN CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)nn1 ZINC000012123908 520563675 /nfs/dbraw/zinc/56/36/75/520563675.db2.gz REPWLUFHZVFTRU-QGZVFWFLSA-N 0 0 431.537 2.623 50 0 IFAARN CCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)c1cn[nH]c1)CC2 ZINC000012204748 520588203 /nfs/dbraw/zinc/58/82/03/520588203.db2.gz YNMDCJLHNIOQFD-YADHBBJMSA-N 0 0 445.523 2.869 50 0 IFAARN CCCCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 ZINC000033024638 520607780 /nfs/dbraw/zinc/60/77/80/520607780.db2.gz NOZQMJZURXSABO-UHFFFAOYSA-N 0 0 445.545 2.568 50 0 IFAARN CC1(C)c2cc(S(=O)(=O)N3CCCC3)ccc2N(CC(=O)Nc2cccc(F)c2)C1=O ZINC000035398698 520684098 /nfs/dbraw/zinc/68/40/98/520684098.db2.gz ORTNMZFRHJKYCL-UHFFFAOYSA-N 0 0 445.516 2.873 50 0 IFAARN CC1(C)c2cc(S(=O)(=O)N3CCCCC3)ccc2N(CC(=O)NC2CCCCC2)C1=O ZINC000035398747 520685097 /nfs/dbraw/zinc/68/50/97/520685097.db2.gz HJKJILJYWKCJNF-UHFFFAOYSA-N 0 0 447.601 2.934 50 0 IFAARN CCOC(=O)CCNC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000012718403 520685819 /nfs/dbraw/zinc/68/58/19/520685819.db2.gz PSVWTZVDRCJPIX-HNNXBMFYSA-N 0 0 425.476 2.736 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 ZINC000012848923 520722481 /nfs/dbraw/zinc/72/24/81/520722481.db2.gz MDPKNHDWZAHPDN-HRAATJIYSA-N 0 0 434.514 2.579 50 0 IFAARN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 ZINC000012848912 520723189 /nfs/dbraw/zinc/72/31/89/520723189.db2.gz MDPKNHDWZAHPDN-KKSFZXQISA-N 0 0 434.514 2.579 50 0 IFAARN CCOc1cc(CNS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)ccc1OC ZINC000015669349 520725532 /nfs/dbraw/zinc/72/55/32/520725532.db2.gz MUEJJEVSNKPBDL-UHFFFAOYSA-N 0 0 429.498 2.631 50 0 IFAARN CCOc1cc([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000021175996 520784543 /nfs/dbraw/zinc/78/45/43/520784543.db2.gz SIVAOQMATINALU-HSZRJFAPSA-N 0 0 447.491 2.930 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2cccc(C(=O)OC)c2)ccc1C ZINC000012767501 520784964 /nfs/dbraw/zinc/78/49/64/520784964.db2.gz CJHVJDCFQXJFCG-UHFFFAOYSA-N 0 0 433.530 2.863 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000022675498 520805501 /nfs/dbraw/zinc/80/55/01/520805501.db2.gz BRXNFXSIRAWBDK-UHFFFAOYSA-N 0 0 449.548 2.827 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 ZINC000009665321 520818726 /nfs/dbraw/zinc/81/87/26/520818726.db2.gz UQCWMEZTCYFSFD-UHFFFAOYSA-N 0 0 449.529 2.660 50 0 IFAARN CCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000032996095 520847878 /nfs/dbraw/zinc/84/78/78/520847878.db2.gz GWTNDTHGDQNGIA-VZUCSPMQSA-N 0 0 446.525 2.767 50 0 IFAARN CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2ccc(OC)cc2)n1)c1ccccc1Cl ZINC000012413246 520887582 /nfs/dbraw/zinc/88/75/82/520887582.db2.gz FQIVGRFJCWFWOQ-SFHVURJKSA-N 0 0 443.891 2.813 50 0 IFAARN CCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(OCC)nc(C)n3)CC2)cc1 ZINC000012224557 520893379 /nfs/dbraw/zinc/89/33/79/520893379.db2.gz GHKKRWGAYNZOJB-UHFFFAOYSA-N 0 0 434.562 2.874 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cc1OCC ZINC000035598080 520898122 /nfs/dbraw/zinc/89/81/22/520898122.db2.gz SXTDNTHJJGYASK-UHFFFAOYSA-N 0 0 436.516 2.731 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CSc2ccc(-c3ccc(OCC)cc3)nn2)CC1 ZINC000012140469 520944972 /nfs/dbraw/zinc/94/49/72/520944972.db2.gz YNAVRRQPRCMBAM-UHFFFAOYSA-N 0 0 430.530 2.935 50 0 IFAARN CCOC(=O)N1CCN(C(=O)[C@@H](C)n2nc(C)c3sc4ccccc4c3c2=O)CC1 ZINC000020901575 520947525 /nfs/dbraw/zinc/94/75/25/520947525.db2.gz REIYOVQERTWFEQ-CQSZACIVSA-N 0 0 428.514 2.781 50 0 IFAARN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)CC1 ZINC000022483628 520948097 /nfs/dbraw/zinc/94/80/97/520948097.db2.gz SOKZEBDZQLXELO-GOSISDBHSA-N 0 0 441.507 2.800 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000016447617 520949584 /nfs/dbraw/zinc/94/95/84/520949584.db2.gz YEJJXQCZMVTAFR-UHFFFAOYSA-N 0 0 430.526 2.883 50 0 IFAARN CC1CCC(NC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)CC1 ZINC000021875445 520952648 /nfs/dbraw/zinc/95/26/48/520952648.db2.gz NOGRWKDRFJSYEJ-HJMRYINQSA-N 0 0 443.592 2.875 50 0 IFAARN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2ccc3ccccc32)cc1 ZINC000012448605 520975624 /nfs/dbraw/zinc/97/56/24/520975624.db2.gz TUTQWVCKIITDGD-XMMPIXPASA-N 0 0 448.567 2.937 50 0 IFAARN CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCn2ccc3ccccc32)cc1 ZINC000012448604 520977005 /nfs/dbraw/zinc/97/70/05/520977005.db2.gz TUTQWVCKIITDGD-DEOSSOPVSA-N 0 0 448.567 2.937 50 0 IFAARN CCOc1ccc(CNC(=O)Cn2c3ccccc3n(Cc3ccccc3)c(=O)c2=O)cc1 ZINC000021944433 520985495 /nfs/dbraw/zinc/98/54/95/520985495.db2.gz JIUGUOVTSBGXDO-UHFFFAOYSA-N 0 0 443.503 2.927 50 0 IFAARN CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)C2)CC1 ZINC000020487989 520986882 /nfs/dbraw/zinc/98/68/82/520986882.db2.gz RQELDFLUQWRXKC-QGZVFWFLSA-N 0 0 447.601 2.600 50 0 IFAARN CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n(N)c2=O)cc1 ZINC000012348413 521013665 /nfs/dbraw/zinc/01/36/65/521013665.db2.gz DQQBHUDGAGFCRD-UHFFFAOYSA-N 0 0 445.932 2.726 50 0 IFAARN CCOc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)CC2=O)cc1 ZINC000012682587 521043020 /nfs/dbraw/zinc/04/30/20/521043020.db2.gz QMZRZBLWTHKDHJ-LBPRGKRZSA-N 0 0 435.402 2.610 50 0 IFAARN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2sc(=O)[nH]c2c1 ZINC000020609181 521066197 /nfs/dbraw/zinc/06/61/97/521066197.db2.gz YZEXHXKINRLGRN-QGZVFWFLSA-N 0 0 445.522 2.524 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 ZINC000012047432 521110159 /nfs/dbraw/zinc/11/01/59/521110159.db2.gz ICAKMCBISJVBEV-LJQANCHMSA-N 0 0 430.526 2.580 50 0 IFAARN CCOc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000020281168 521110572 /nfs/dbraw/zinc/11/05/72/521110572.db2.gz IUSZYCRQMJCVHA-MRXNPFEDSA-N 0 0 432.527 2.882 50 0 IFAARN CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccccc4OC)ccc3n2C)CC1 ZINC000020677306 521122468 /nfs/dbraw/zinc/12/24/68/521122468.db2.gz GGKYYBTUHXKLHU-UHFFFAOYSA-N 0 0 435.528 2.888 50 0 IFAARN CCOc1ccc(NC(=S)N(CCCN2CCOCC2)C2CCN(C(C)=O)CC2)cc1 ZINC000020730948 521123650 /nfs/dbraw/zinc/12/36/50/521123650.db2.gz LFJGVSFIRQGONZ-UHFFFAOYSA-N 0 0 448.633 2.817 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCCC(C)C ZINC000021636073 521166204 /nfs/dbraw/zinc/16/62/04/521166204.db2.gz KJQGMFNCBRGEEL-HXUWFJFHSA-N 0 0 435.590 2.691 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(CCCOC)CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000012548760 521190817 /nfs/dbraw/zinc/19/08/17/521190817.db2.gz PBBPLTJGAUMAME-UHFFFAOYSA-N 0 0 436.530 2.760 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1 ZINC000012443549 521215732 /nfs/dbraw/zinc/21/57/32/521215732.db2.gz YREZOYLVQNQESD-UHFFFAOYSA-N 0 0 441.513 2.596 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NC2CC2)cc1 ZINC000035559564 521216507 /nfs/dbraw/zinc/21/65/07/521216507.db2.gz UUJYEAGAPODBTB-OAQYLSRUSA-N 0 0 441.553 2.992 50 0 IFAARN CCCCc1ccc(NCCN2N=C(C)[C@@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000010108875 521283230 /nfs/dbraw/zinc/28/32/30/521283230.db2.gz YXJLGJXOXSPMMC-MRXNPFEDSA-N 0 0 437.548 2.645 50 0 IFAARN CCC(C)(C)NC(=O)CN1c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2CCC1=O ZINC000035428954 521316486 /nfs/dbraw/zinc/31/64/86/521316486.db2.gz CVTXTRRRQNLRKD-MRXNPFEDSA-N 0 0 435.590 2.834 50 0 IFAARN CCCc1cc(=O)n2nc(N(C)CC(=O)NCc3ccc(OC(C)C)cc3)sc2n1 ZINC000021165595 521346734 /nfs/dbraw/zinc/34/67/34/521346734.db2.gz YJTCZBHUQLCCBB-UHFFFAOYSA-N 0 0 429.546 2.643 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCOC)S(=O)(=O)c2ccccc2)c1C ZINC000035993352 521364932 /nfs/dbraw/zinc/36/49/32/521364932.db2.gz HQVVXBWNXGRRPV-INIZCTEOSA-N 0 0 436.530 2.717 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)CCc2ccc(OC)c(OC)c2)c1C ZINC000012599769 521380886 /nfs/dbraw/zinc/38/08/86/521380886.db2.gz LGYCYJWSFJBRQH-UHFFFAOYSA-N 0 0 446.500 2.683 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)c1C ZINC000022225182 521382585 /nfs/dbraw/zinc/38/25/85/521382585.db2.gz VSULLISDCBPQLW-ZDUSSCGKSA-N 0 0 439.559 2.817 50 0 IFAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)CN1CCOCC1 ZINC000012484481 521392090 /nfs/dbraw/zinc/39/20/90/521392090.db2.gz PQQRGOBTCADKBE-UHFFFAOYSA-N 0 0 446.525 2.823 50 0 IFAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)CN1CCN(Cc2cc(C)no2)CC1 ZINC000022253445 521404357 /nfs/dbraw/zinc/40/43/57/521404357.db2.gz NUGLSCDNLKHJLC-UHFFFAOYSA-N 0 0 434.562 2.848 50 0 IFAARN CCOC(=O)c1c(NC(=O)Cn2cc(Br)ccc2=O)sc2c1CCC2 ZINC000012789302 521411438 /nfs/dbraw/zinc/41/14/38/521411438.db2.gz FFXPJFOSZDFXAV-UHFFFAOYSA-N 0 0 425.304 2.976 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)NCCCN1CCOCC1)COC(C)(C)C2 ZINC000020573352 521417592 /nfs/dbraw/zinc/41/75/92/521417592.db2.gz BDNGGJZGGKBQMS-UHFFFAOYSA-N 0 0 425.551 2.620 50 0 IFAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@@H]1CCCO1)C(=O)C1CC1 ZINC000036031000 521431640 /nfs/dbraw/zinc/43/16/40/521431640.db2.gz YKZDUWZXPVBTHD-FQEVSTJZSA-N 0 0 431.558 2.795 50 0 IFAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C(=O)C1CC1 ZINC000036030711 521433392 /nfs/dbraw/zinc/43/33/92/521433392.db2.gz UJIUFDDTXYGAAO-LJQANCHMSA-N 0 0 449.548 2.934 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(c1ccccc1C)C2=O ZINC000021781410 521454363 /nfs/dbraw/zinc/45/43/63/521454363.db2.gz NBWFYDQEPJUFAW-QHCPKHFHSA-N 0 0 426.517 2.950 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(c1ccccc1OC)C2=O ZINC000021879109 521455682 /nfs/dbraw/zinc/45/56/82/521455682.db2.gz AWNDILAXTKTGFO-HSZRJFAPSA-N 0 0 440.500 2.546 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)COCC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000012735852 521495014 /nfs/dbraw/zinc/49/50/14/521495014.db2.gz QXUDJIFGSSNWLI-UHFFFAOYSA-N 0 0 428.441 2.634 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 ZINC000020716142 521498795 /nfs/dbraw/zinc/49/87/95/521498795.db2.gz WHFQASMQWTYOSR-QGZVFWFLSA-N 0 0 435.440 2.652 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)cc1 ZINC000020488573 521516980 /nfs/dbraw/zinc/51/69/80/521516980.db2.gz LHMCOHKWYVSBHL-UHFFFAOYSA-N 0 0 425.466 2.803 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c(=O)c2cccnc2n(-c2ccc(OC)cc2)c1=O ZINC000021723059 521534508 /nfs/dbraw/zinc/53/45/08/521534508.db2.gz PVTAVTXUJMPTSV-UHFFFAOYSA-N 0 0 446.463 2.593 50 0 IFAARN CCN1C(=O)c2cc(C(=O)NC3CCCCCC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877397 521536502 /nfs/dbraw/zinc/53/65/02/521536502.db2.gz QPPAMZZDFXHIOH-HSZRJFAPSA-N 0 0 429.565 2.629 50 0 IFAARN CCN1C(=O)c2cc(C(=O)Nc3cccc(F)c3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877405 521538672 /nfs/dbraw/zinc/53/86/72/521538672.db2.gz FUVGHIVHDDWMLD-JOCHJYFZSA-N 0 0 427.480 2.568 50 0 IFAARN CCN1C2=C(C(=O)N([C@H](C)C(=O)NCc3ccco3)C2)[C@@H](c2ccccc2Cl)NC1=O ZINC000035967722 521543133 /nfs/dbraw/zinc/54/31/33/521543133.db2.gz DTCRRSRWVOOAOG-BFUOFWGJSA-N 0 0 442.903 2.820 50 0 IFAARN CCN1C2=C(C(=O)N([C@@H](C)C(=O)NCc3ccco3)C2)[C@@H](c2ccccc2Cl)NC1=O ZINC000035967717 521543358 /nfs/dbraw/zinc/54/33/58/521543358.db2.gz DTCRRSRWVOOAOG-ORAYPTAESA-N 0 0 442.903 2.820 50 0 IFAARN CCCc1nc2ccccc2c(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1CC ZINC000020894138 521544458 /nfs/dbraw/zinc/54/44/58/521544458.db2.gz MBKHRIMKGOUCKZ-HNNXBMFYSA-N 0 0 432.542 2.552 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2ccccc2C)S1(=O)=O ZINC000021921832 521549036 /nfs/dbraw/zinc/54/90/36/521549036.db2.gz QZZAQMFDWMTENJ-UHFFFAOYSA-N 0 0 445.541 2.563 50 0 IFAARN CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O ZINC000022058515 521564293 /nfs/dbraw/zinc/56/42/93/521564293.db2.gz CBWYOICSCKOFAQ-IBGZPJMESA-N 0 0 435.889 2.984 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccc(OCC)c(OC)c3)cc2)c1N ZINC000021652128 521578259 /nfs/dbraw/zinc/57/82/59/521578259.db2.gz HJLMUGHVCKNSDV-UHFFFAOYSA-N 0 0 438.484 2.969 50 0 IFAARN CCOC(=O)c1sc(NC(=O)N2CCN(C(=O)OCC)CC2)c(C(=O)OCC)c1C ZINC000024562808 521614522 /nfs/dbraw/zinc/61/45/22/521614522.db2.gz DGDLUQIPNSKYHX-UHFFFAOYSA-N 0 0 441.506 2.716 50 0 IFAARN CCOC(=O)c1sc2ccsc2c1Cn1cc(S(=O)(=O)N(C)C)ccc1=O ZINC000032934993 521618126 /nfs/dbraw/zinc/61/81/26/521618126.db2.gz YZZKGZNPLXMXFG-UHFFFAOYSA-N 0 0 426.541 2.600 50 0 IFAARN CCCn1c2c(nc1-n1nc(C)cc1C)n(C)c(=O)n(Cc1ccccc1Cl)c2=O ZINC000012231474 521636252 /nfs/dbraw/zinc/63/62/52/521636252.db2.gz XZSCFBNZOIJXLM-UHFFFAOYSA-N 0 0 426.908 2.811 50 0 IFAARN CCCn1ccn(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1=S ZINC000012740367 521659077 /nfs/dbraw/zinc/65/90/77/521659077.db2.gz RNPAHDGPLPQOGU-UHFFFAOYSA-N 0 0 434.509 2.810 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2ccccc2C)[C@@](C)(C(=O)NC2CCCCCCC2)C1 ZINC000020928232 521659947 /nfs/dbraw/zinc/65/99/47/521659947.db2.gz URWBHXAVPFMJBO-HSZRJFAPSA-N 0 0 449.617 2.981 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2C)[C@@](C)(C(=O)NC2CCCCCC2)C1 ZINC000021528451 521660066 /nfs/dbraw/zinc/66/00/66/521660066.db2.gz WMNHFUBBFPKHBS-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN CCN1CCN(C(=O)C[C@@H](c2ccc(OC)c(OC)c2)N2Cc3ccccc3C2=O)CC1 ZINC000021530551 521663605 /nfs/dbraw/zinc/66/36/05/521663605.db2.gz MIHWNPFGZSJEQW-NRFANRHFSA-N 0 0 437.540 2.955 50 0 IFAARN CCN1CCN(C(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)CC1 ZINC000022808364 521664310 /nfs/dbraw/zinc/66/43/10/521664310.db2.gz YBORKONEQSOZSW-UHFFFAOYSA-N 0 0 443.544 2.918 50 0 IFAARN CCN1CCN(C(=O)[C@@H](NC(=O)c2cc(-c3cccc(OC)c3)on2)c2ccccc2)CC1 ZINC000036002655 521666136 /nfs/dbraw/zinc/66/61/36/521666136.db2.gz NRNRETXBLMFAQO-QHCPKHFHSA-N 0 0 448.523 2.985 50 0 IFAARN CCN1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@H]23)CC1 ZINC000020208908 521667735 /nfs/dbraw/zinc/66/77/35/521667735.db2.gz XCRDAZGCMFSDHJ-DNQXCXABSA-N 0 0 449.551 2.705 50 0 IFAARN CCN1CCN(C(=O)[C@H](NC(=O)c2cc(-c3cccc(OC)c3)on2)c2ccccc2)CC1 ZINC000036002654 521668736 /nfs/dbraw/zinc/66/87/36/521668736.db2.gz NRNRETXBLMFAQO-HSZRJFAPSA-N 0 0 448.523 2.985 50 0 IFAARN CCCN(C[C@@H]1CCCO1)C(=O)C[C@]1(c2ccccc2C)CC(=O)N(CCCOC)C1=O ZINC000012571014 521676461 /nfs/dbraw/zinc/67/64/61/521676461.db2.gz HPEZVWDZRQDPOW-NBGIEHNGSA-N 0 0 444.572 2.836 50 0 IFAARN CCCN(C[C@H]1CCCO1)C(=O)C[C@]1(c2ccccc2C)CC(=O)N(CCCOC)C1=O ZINC000012571021 521677941 /nfs/dbraw/zinc/67/79/41/521677941.db2.gz HPEZVWDZRQDPOW-CJFMBICVSA-N 0 0 444.572 2.836 50 0 IFAARN CCS(=O)(=O)c1ncc(CN2CCC[C@@H](COc3ccc(F)cc3)C2)n1CCOC ZINC000012299710 521694319 /nfs/dbraw/zinc/69/43/19/521694319.db2.gz VCPMGSFCPXAIBF-QGZVFWFLSA-N 0 0 439.553 2.753 50 0 IFAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3)ncn2C[C@]1(C)C(=O)NCCC(C)C ZINC000021919076 521702153 /nfs/dbraw/zinc/70/21/53/521702153.db2.gz ZXZZXWQXVYUCPC-XMMPIXPASA-N 0 0 439.560 2.600 50 0 IFAARN CCCN1C(=O)c2c(C(=O)NCc3cccs3)ncn2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021919251 521702314 /nfs/dbraw/zinc/70/23/14/521702314.db2.gz UUEWBPFRMUPEFD-QFIPXVFZSA-N 0 0 445.589 2.661 50 0 IFAARN CCOCCCNC(=O)C1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 ZINC000033260365 521710815 /nfs/dbraw/zinc/71/08/15/521710815.db2.gz QKVJZJAOJPPVNF-UHFFFAOYSA-N 0 0 426.496 2.690 50 0 IFAARN CCNC(=O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000015503926 521738712 /nfs/dbraw/zinc/73/87/12/521738712.db2.gz AXMPCBSFOYHQIO-SBUREZEXSA-N 0 0 439.512 2.956 50 0 IFAARN CCNC(=O)C[C@@H]1C(=O)N(Cc2cccs2)C(=S)N1CCc1ccc(OC)cc1 ZINC000015321378 521738858 /nfs/dbraw/zinc/73/88/58/521738858.db2.gz UIMWVPJXJTUJOK-GOSISDBHSA-N 0 0 431.583 2.823 50 0 IFAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CC1)C[C@@H]1CCCO1 ZINC000036031630 521739536 /nfs/dbraw/zinc/73/95/36/521739536.db2.gz XYAHLTVTYWPBGG-FQEVSTJZSA-N 0 0 446.573 2.902 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1C ZINC000022911939 521750607 /nfs/dbraw/zinc/75/06/07/521750607.db2.gz OXUSWGWGWUNXAB-QGZVFWFLSA-N 0 0 441.528 2.578 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000012928755 521753112 /nfs/dbraw/zinc/75/31/12/521753112.db2.gz RBKWOUUBEOGKDS-UHFFFAOYSA-N 0 0 438.527 2.613 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccccc1F)CCC2 ZINC000012293291 521783885 /nfs/dbraw/zinc/78/38/85/521783885.db2.gz LNWVPBBJQCTBEM-UHFFFAOYSA-N 0 0 433.490 2.869 50 0 IFAARN CCc1cccc2c(C(=O)CN3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c[nH]c21 ZINC000035392687 521787213 /nfs/dbraw/zinc/78/72/13/521787213.db2.gz OLDOSMJKIYLYQH-HSZRJFAPSA-N 0 0 433.508 2.897 50 0 IFAARN CCc1cccc2c(C(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)c[nH]c21 ZINC000009789034 521787884 /nfs/dbraw/zinc/78/78/84/521787884.db2.gz HCJVIMMNGGGPTN-ZDUSSCGKSA-N 0 0 432.571 2.811 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3cc(C)ccc3C)oc1C)c(=O)n2C ZINC000012447383 521829773 /nfs/dbraw/zinc/82/97/73/521829773.db2.gz GTULIWMKUUNECO-UHFFFAOYSA-N 0 0 448.479 2.819 50 0 IFAARN CC[C@@H](C(=O)NCc1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035402957 521852543 /nfs/dbraw/zinc/85/25/43/521852543.db2.gz YLIBSEOKPWQWQJ-IBGZPJMESA-N 0 0 431.895 2.745 50 0 IFAARN CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000020492008 521860076 /nfs/dbraw/zinc/86/00/76/521860076.db2.gz AWJSIYUCRLKNTJ-UHFFFAOYSA-N 0 0 443.525 2.619 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020486983 521864338 /nfs/dbraw/zinc/86/43/38/521864338.db2.gz JLCDOFAPSKVIHQ-UHFFFAOYSA-N 0 0 429.542 2.762 50 0 IFAARN COC(=O)c1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc(C(=O)OC)c1 ZINC000012794061 521877843 /nfs/dbraw/zinc/87/78/43/521877843.db2.gz NNGMYOQGTMBXOK-UHFFFAOYSA-N 0 0 442.443 2.890 50 0 IFAARN COC(=O)c1cc(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)ccc1Cl ZINC000012380203 521881536 /nfs/dbraw/zinc/88/15/36/521881536.db2.gz JKEJEENQGSIMJY-UHFFFAOYSA-N 0 0 438.889 2.734 50 0 IFAARN CCc1ccccc1NC(=O)Cn1c2cn(CC)nc2c(=O)n(Cc2ccccc2)c1=O ZINC000021713722 521881922 /nfs/dbraw/zinc/88/19/22/521881922.db2.gz DVXVOVHDZBIIFK-UHFFFAOYSA-N 0 0 431.496 2.629 50 0 IFAARN COc1cc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)C)n2CC(C)C)cc(OC)c1OC ZINC000012541996 521903529 /nfs/dbraw/zinc/90/35/29/521903529.db2.gz KVKPICVRWKMAKJ-UHFFFAOYSA-N 0 0 430.505 2.891 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)cc2Cl)cn1C ZINC000035375979 521906810 /nfs/dbraw/zinc/90/68/10/521906810.db2.gz KDLKTXSMMKZHAX-INIZCTEOSA-N 0 0 439.921 2.565 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cn1C ZINC000035375975 521908331 /nfs/dbraw/zinc/90/83/31/521908331.db2.gz AEBNCALXDLIZCH-INIZCTEOSA-N 0 0 439.921 2.565 50 0 IFAARN CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCCc2ccc(OC)c(OC)c2)c1=O ZINC000012099141 521922427 /nfs/dbraw/zinc/92/24/27/521922427.db2.gz CVUZXZOOHVNOOJ-UHFFFAOYSA-N 0 0 441.528 2.703 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(c1ccccc1F)C2=O ZINC000021878246 521922786 /nfs/dbraw/zinc/92/27/86/521922786.db2.gz NHIBVUYPINYCMD-JOCHJYFZSA-N 0 0 428.464 2.677 50 0 IFAARN CC[C@@H](C)CC(=O)N1CCC([C@]2(Cc3cccc(F)c3)NC(=O)N(CCOC)C2=O)CC1 ZINC000012099209 521933810 /nfs/dbraw/zinc/93/38/10/521933810.db2.gz QYEIOXKECANWFI-OSPHWJPCSA-N 0 0 447.551 2.980 50 0 IFAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc(OC)c1OC ZINC000012852153 521934433 /nfs/dbraw/zinc/93/44/33/521934433.db2.gz MWSZYCCEEWIIPS-MDZDMXLPSA-N 0 0 439.424 2.958 50 0 IFAARN COC(=O)c1ccc(CNC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000012774776 522019691 /nfs/dbraw/zinc/01/96/91/522019691.db2.gz DJXTUXXYEZNJCJ-UHFFFAOYSA-N 0 0 425.510 2.830 50 0 IFAARN COCCn1c(CN(CC(C)C)C(=O)C2CC2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030260 522067939 /nfs/dbraw/zinc/06/79/39/522067939.db2.gz UABDQNNGXZLFLI-UHFFFAOYSA-N 0 0 433.574 2.898 50 0 IFAARN COCCn1c(CN(C(=O)NC(C)C)C2CC2)cnc1S(=O)(=O)Cc1ccc(C)cc1 ZINC000036042818 522068760 /nfs/dbraw/zinc/06/87/60/522068760.db2.gz YZOFCSPJTJPEDT-UHFFFAOYSA-N 0 0 448.589 2.894 50 0 IFAARN COCCn1c(CN2CCC(CCO)CC2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000012301174 522068779 /nfs/dbraw/zinc/06/87/79/522068779.db2.gz FAPJDYYCSSRQHR-UHFFFAOYSA-N 0 0 427.611 2.620 50 0 IFAARN COCCn1c(CN2CCC[C@@H](COC)C2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000012445400 522068847 /nfs/dbraw/zinc/06/88/47/522068847.db2.gz KEHRYWHJXRBLBQ-LJQANCHMSA-N 0 0 427.611 2.742 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccccc4)c3c2=O)cc1 ZINC000022767886 522103614 /nfs/dbraw/zinc/10/36/14/522103614.db2.gz FXLFUZMFYYLWDE-UHFFFAOYSA-N 0 0 443.463 2.885 50 0 IFAARN COc1cc(C(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc(OC)c1OC ZINC000012443176 522111051 /nfs/dbraw/zinc/11/10/51/522111051.db2.gz SUJYHMREGDJWQK-UHFFFAOYSA-N 0 0 449.467 2.626 50 0 IFAARN COC(=O)c1ccc(NC(=O)Nc2nnc(CC(=O)NCc3ccccc3)s2)cc1 ZINC000021703711 522112499 /nfs/dbraw/zinc/11/24/99/522112499.db2.gz UHQSXHOQGAGJGZ-UHFFFAOYSA-N 0 0 425.470 2.828 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 ZINC000020732922 522118174 /nfs/dbraw/zinc/11/81/74/522118174.db2.gz RQSVXQILTGGTCZ-KRWDZBQOSA-N 0 0 426.469 2.520 50 0 IFAARN COC(=O)c1ccc(OC[C@@H](O)CSc2nnnn2-c2c(C)cccc2C)c(OC)c1 ZINC000012849045 522144177 /nfs/dbraw/zinc/14/41/77/522144177.db2.gz TVKGGSVKBCLFFX-MRXNPFEDSA-N 0 0 444.513 2.606 50 0 IFAARN COc1cc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc(OC)c1C ZINC000020890603 522170390 /nfs/dbraw/zinc/17/03/90/522170390.db2.gz ZOBPNABQIVGQFP-UHFFFAOYSA-N 0 0 432.498 2.847 50 0 IFAARN COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000021110003 522177877 /nfs/dbraw/zinc/17/78/77/522177877.db2.gz AMNJYTJWLTXVCJ-AWEZNQCLSA-N 0 0 440.452 2.584 50 0 IFAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(C)c1)N2 ZINC000020767862 522220074 /nfs/dbraw/zinc/22/00/74/522220074.db2.gz XQLJCZVYQGPURC-FOIQADDNSA-N 0 0 429.542 2.871 50 0 IFAARN CN(C)c1ccc(NC(=O)CCN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000020767364 522222951 /nfs/dbraw/zinc/22/29/51/522222951.db2.gz PFCGIQMMCOFNBP-UHFFFAOYSA-N 0 0 443.979 2.991 50 0 IFAARN CN(C)c1ccc(NC(=O)c2cn(C)c3c2[nH]c(=O)n(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000017149047 522236463 /nfs/dbraw/zinc/23/64/63/522236463.db2.gz UEQZTLNTJLQLTA-UHFFFAOYSA-N 0 0 437.887 2.989 50 0 IFAARN COC(=O)c1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012761069 522267033 /nfs/dbraw/zinc/26/70/33/522267033.db2.gz WNJIWTVHWKVZSA-IYBDPMFKSA-N 0 0 446.525 2.548 50 0 IFAARN CNS(=O)(=O)c1cc(NC(=O)c2cc(OC)cc(Br)c2OC)ccc1C ZINC000012929590 522270632 /nfs/dbraw/zinc/27/06/32/522270632.db2.gz DORUBRGWPABYAP-UHFFFAOYSA-N 0 0 443.319 2.935 50 0 IFAARN CNS(=O)(=O)c1ccc(NC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015669636 522290060 /nfs/dbraw/zinc/29/00/60/522290060.db2.gz XQVXBCNNOMANSF-UHFFFAOYSA-N 0 0 430.486 2.615 50 0 IFAARN CN(C)c1nc2ccc(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2s1 ZINC000012488825 522337066 /nfs/dbraw/zinc/33/70/66/522337066.db2.gz IVVPZDKFYNPAGW-UHFFFAOYSA-N 0 0 447.538 2.602 50 0 IFAARN COC(=O)c1cnn(-c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)c1N ZINC000021652199 522351571 /nfs/dbraw/zinc/35/15/71/522351571.db2.gz XODOEQSMJDIMSQ-UHFFFAOYSA-N 0 0 439.903 2.857 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccc(Cl)cc1)[C@@](C)(C(=O)NC1CCCC1)C2 ZINC000021872722 522392975 /nfs/dbraw/zinc/39/29/75/522392975.db2.gz ZXWUZSZJNANKRA-JOCHJYFZSA-N 0 0 444.919 2.797 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1cccs1)[C@@](C)(C(=O)NC1CCCCC1)C2 ZINC000021873061 522394301 /nfs/dbraw/zinc/39/43/01/522394301.db2.gz CXQZMSVBBUGENJ-OAQYLSRUSA-N 0 0 430.530 2.595 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-n2cnnn2)c1 ZINC000032933492 522414201 /nfs/dbraw/zinc/41/42/01/522414201.db2.gz KFEOWZSSTYSTNE-UHFFFAOYSA-N 0 0 440.529 2.868 50 0 IFAARN CN(CC(=O)N1CCN(C)CC1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000023935296 522436882 /nfs/dbraw/zinc/43/68/82/522436882.db2.gz VSUPSRCLWMISCW-UHFFFAOYSA-N 0 0 437.569 2.506 50 0 IFAARN COC[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000012149683 522440952 /nfs/dbraw/zinc/44/09/52/522440952.db2.gz USDNIOXSVMPXSC-BKMJKUGQSA-N 0 0 449.551 2.739 50 0 IFAARN COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012612097 522450008 /nfs/dbraw/zinc/45/00/08/522450008.db2.gz DQMVVNKUHHXWRT-CYBMUJFWSA-N 0 0 437.495 2.547 50 0 IFAARN CN(CC(=O)NCc1ccc(Cn2cccn2)cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000012625872 522483078 /nfs/dbraw/zinc/48/30/78/522483078.db2.gz IYVSJUIKUKFSAA-UHFFFAOYSA-N 0 0 438.962 2.583 50 0 IFAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012781730 522504055 /nfs/dbraw/zinc/50/40/55/522504055.db2.gz UNOCKEVAKODJRY-UHFFFAOYSA-N 0 0 444.340 2.711 50 0 IFAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000021914600 522504123 /nfs/dbraw/zinc/50/41/23/522504123.db2.gz DPCYMEADGABYIV-UHFFFAOYSA-N 0 0 429.304 2.501 50 0 IFAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CCn1c(=O)oc2ccccc21 ZINC000012870317 522517166 /nfs/dbraw/zinc/51/71/66/522517166.db2.gz VAPYYKMOOVVDNA-UHFFFAOYSA-N 0 0 432.274 2.844 50 0 IFAARN CN(CC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000012711596 522662514 /nfs/dbraw/zinc/66/25/14/522662514.db2.gz LUIZBGHMMRKFLE-XMMPIXPASA-N 0 0 435.568 2.929 50 0 IFAARN COc1cc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)cc(OC)c1 ZINC000035508280 522716408 /nfs/dbraw/zinc/71/64/08/522716408.db2.gz BYXJBTWNDLESKK-HNNXBMFYSA-N 0 0 435.484 2.980 50 0 IFAARN COCC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(C)cc1 ZINC000035960390 522720881 /nfs/dbraw/zinc/72/08/81/522720881.db2.gz OUJCZVBKWDVMST-OAQYLSRUSA-N 0 0 439.512 2.795 50 0 IFAARN CNc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)s1 ZINC000012764268 522725224 /nfs/dbraw/zinc/72/52/24/522725224.db2.gz KUWFTNITGUTNFB-QMMMGPOBSA-N 0 0 435.984 2.603 50 0 IFAARN COCC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)C(C)C ZINC000035770265 522733535 /nfs/dbraw/zinc/73/35/35/522733535.db2.gz IYSLXGFEWHFFMN-UHFFFAOYSA-N 0 0 425.478 2.985 50 0 IFAARN COCC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908298 522748378 /nfs/dbraw/zinc/74/83/78/522748378.db2.gz UNYNVDUPLBYWIP-UHFFFAOYSA-N 0 0 442.523 2.701 50 0 IFAARN COc1cc(OC)c(C2=CCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)c(OC)c1 ZINC000011918443 522790226 /nfs/dbraw/zinc/79/02/26/522790226.db2.gz OXPVKVWVYPMCMB-UHFFFAOYSA-N 0 0 435.480 2.738 50 0 IFAARN COc1cc(OC)c(NC(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1Cl ZINC000035598119 522804185 /nfs/dbraw/zinc/80/41/85/522804185.db2.gz SOOWSAYJCJVPBN-UHFFFAOYSA-N 0 0 443.895 2.687 50 0 IFAARN COC(=O)C1(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)CCCCC1 ZINC000012932346 522847601 /nfs/dbraw/zinc/84/76/01/522847601.db2.gz NRSYNKDVFOHXBL-ZDUSSCGKSA-N 0 0 438.908 2.702 50 0 IFAARN CN(CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000022975339 522856084 /nfs/dbraw/zinc/85/60/84/522856084.db2.gz PRIQNPFEHOSSNU-OAHLLOKOSA-N 0 0 427.979 2.807 50 0 IFAARN COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@@]1(NC(=O)c1ccccc1OC)C(F)(F)F ZINC000020568730 522865557 /nfs/dbraw/zinc/86/55/57/522865557.db2.gz BPNNEHJSBFMCAL-HXUWFJFHSA-N 0 0 440.418 2.958 50 0 IFAARN COc1cc([C@@H]2CN(C(=O)NC(C)(C)C)C[C@@H]2C(=O)NCC2CC2)cc(OC)c1OC ZINC000036044653 522927106 /nfs/dbraw/zinc/92/71/06/522927106.db2.gz VWGPEPSCESQRNI-IRXDYDNUSA-N 0 0 433.549 2.762 50 0 IFAARN COc1cc([C@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)NCC2CC2)cc(OC)c1OC ZINC000036044650 522962278 /nfs/dbraw/zinc/96/22/78/522962278.db2.gz VWGPEPSCESQRNI-IAGOWNOFSA-N 0 0 433.549 2.762 50 0 IFAARN COCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)o1 ZINC000020781592 522976825 /nfs/dbraw/zinc/97/68/25/522976825.db2.gz QUOOFWWZHAAVTL-SFHVURJKSA-N 0 0 437.544 2.886 50 0 IFAARN COc1cc2c(cc(C(=O)N[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n2C)c(OC)c1 ZINC000020736946 522995241 /nfs/dbraw/zinc/99/52/41/522995241.db2.gz LYKVXGQCHFBANP-ZDUSSCGKSA-N 0 0 439.468 2.724 50 0 IFAARN COc1cc2c(c3oc(=O)c(CC(=O)N[C@H](CO)CCSC)c(C)c13)CCC(C)(C)O2 ZINC000012902884 522995684 /nfs/dbraw/zinc/99/56/84/522995684.db2.gz IKBVPIYXELGFRC-AWEZNQCLSA-N 0 0 449.569 2.986 50 0 IFAARN COc1cc2nc(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)sc2cc1OC ZINC000021560159 523066092 /nfs/dbraw/zinc/06/60/92/523066092.db2.gz ZRGALFHBSNTJHB-JTQLQIEISA-N 0 0 439.490 2.758 50 0 IFAARN COc1ccc(-c2c3c(cn2CC(=O)c2ccccc2)n(C)c(=O)n(C)c3=O)cc1OC ZINC000020722718 523082280 /nfs/dbraw/zinc/08/22/80/523082280.db2.gz ZIQUHMKUXMMOHY-UHFFFAOYSA-N 0 0 433.464 2.606 50 0 IFAARN CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCc3cccs3)cc2)c2cccnc21 ZINC000021153129 523098158 /nfs/dbraw/zinc/09/81/58/523098158.db2.gz CADDPLWOMBKLQG-UHFFFAOYSA-N 0 0 434.521 2.660 50 0 IFAARN COc1ccc(-c2cc(C(=O)N[C@@H](C(=O)NCc3ccccn3)C(C)C)no2)c(OC)c1 ZINC000035992484 523098685 /nfs/dbraw/zinc/09/86/85/523098685.db2.gz DDLUTHGALBXDPT-OAQYLSRUSA-N 0 0 438.484 2.825 50 0 IFAARN CCn1c(=O)c(N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)nc2cccnc21 ZINC000033259408 523101296 /nfs/dbraw/zinc/10/12/96/523101296.db2.gz DXOCUEFZDCZYJS-GOSISDBHSA-N 0 0 444.539 2.868 50 0 IFAARN CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1=O ZINC000021915773 523106626 /nfs/dbraw/zinc/10/66/26/523106626.db2.gz VHWGEYMGTHPAIC-UHFFFAOYSA-N 0 0 432.480 2.731 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)N[C@H]4CCCc5ccccc54)ncn3n2)cc1 ZINC000020466370 523118017 /nfs/dbraw/zinc/11/80/17/523118017.db2.gz MRHXWQFKVBZADL-FQEVSTJZSA-N 0 0 429.480 2.760 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)cc4OC)nc(C)n3n2)cc1 ZINC000021807900 523118841 /nfs/dbraw/zinc/11/88/41/523118841.db2.gz VXNRLYATPYMHSM-UHFFFAOYSA-N 0 0 449.467 2.531 50 0 IFAARN COC(=O)CCn1c(C)cc(C(=O)COC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1C ZINC000014250669 523129271 /nfs/dbraw/zinc/12/92/71/523129271.db2.gz NJNLWFWOYXVCFC-QGZVFWFLSA-N 0 0 436.505 2.793 50 0 IFAARN CCn1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1C ZINC000012850073 523138316 /nfs/dbraw/zinc/13/83/16/523138316.db2.gz LUHULOXRKHYCRM-INIZCTEOSA-N 0 0 435.546 2.996 50 0 IFAARN COc1ccc(-c2coc3cc(OCC(=O)N4CCN(C)CC4)ccc3c2=O)cc1OC ZINC000020649527 523156496 /nfs/dbraw/zinc/15/64/96/523156496.db2.gz LHRFKCLIUFMJNX-UHFFFAOYSA-N 0 0 438.480 2.630 50 0 IFAARN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1cn(C[C@@H]2COc3ccccc3O2)nn1 ZINC000012305518 523160965 /nfs/dbraw/zinc/16/09/65/523160965.db2.gz JUVHHPDCRVLVKG-GOSISDBHSA-N 0 0 430.468 2.780 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)n2)cc1OC ZINC000015934898 523166020 /nfs/dbraw/zinc/16/60/20/523166020.db2.gz UZOHNHKUCYISLW-OKILXGFUSA-N 0 0 427.482 2.717 50 0 IFAARN CCn1c(CCC(=O)Nc2ccc3c(c2)OCO3)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000016018559 523178658 /nfs/dbraw/zinc/17/86/58/523178658.db2.gz IFBSGLPFLDXKFR-UHFFFAOYSA-N 0 0 444.513 2.607 50 0 IFAARN COc1ccc(-c2nc(CN3CCN(S(=O)(=O)N4CCCCC4)CC3)cs2)cc1 ZINC000012787245 523203320 /nfs/dbraw/zinc/20/33/20/523203320.db2.gz CSERYONQIZIILC-UHFFFAOYSA-N 0 0 436.603 2.667 50 0 IFAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2cccs2)n1CC(N)=O ZINC000022765081 523232391 /nfs/dbraw/zinc/23/23/91/523232391.db2.gz XJIBPHDPBLUTBI-UHFFFAOYSA-N 0 0 441.991 2.958 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccc(Cl)cc3)n2N)c(OC)c1 ZINC000021576036 523259508 /nfs/dbraw/zinc/25/95/08/523259508.db2.gz SBNXFFCKVWPLIB-UHFFFAOYSA-N 0 0 433.921 2.738 50 0 IFAARN CCn1c2ccc(-c3noc([C@H](C)NS(=O)(=O)c4ccc(C)cc4)n3)cc2[nH]c1=O ZINC000035553387 523260203 /nfs/dbraw/zinc/26/02/03/523260203.db2.gz NPUDQJIDYLHLQD-ZDUSSCGKSA-N 0 0 427.486 2.747 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)NC(=O)NCc3ccccc3)o2)cc1OC ZINC000016046423 523260576 /nfs/dbraw/zinc/26/05/76/523260576.db2.gz RFGYTPBLKUUHPG-UHFFFAOYSA-N 0 0 428.470 2.872 50 0 IFAARN COCCCN(Cc1ccc(OC(F)(F)F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012869045 523262466 /nfs/dbraw/zinc/26/24/66/523262466.db2.gz MIXGCDPFKBBTDJ-UHFFFAOYSA-N 0 0 444.454 2.717 50 0 IFAARN COCCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000020985103 523264349 /nfs/dbraw/zinc/26/43/49/523264349.db2.gz OOWYUXPTUUGZRR-UHFFFAOYSA-N 0 0 425.557 2.787 50 0 IFAARN COc1ccc(-c2nnc([C@@H](C)N3CCN(CC(=O)N4CCCCCC4)CC3)o2)cc1 ZINC000022804473 523268068 /nfs/dbraw/zinc/26/80/68/523268068.db2.gz ZQXJOWNZCLRAML-GOSISDBHSA-N 0 0 427.549 2.826 50 0 IFAARN COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1ccc(OC)c(OC)c1 ZINC000022190564 523275437 /nfs/dbraw/zinc/27/54/37/523275437.db2.gz PIYWBVMHPRGSTJ-IEBWSBKVSA-N 0 0 440.496 2.786 50 0 IFAARN COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Br)cc1 ZINC000012904783 523276909 /nfs/dbraw/zinc/27/69/09/523276909.db2.gz DMZVYZCVIZSFFZ-OAHLLOKOSA-N 0 0 433.258 2.814 50 0 IFAARN COCCCN1C(=O)C[C@](CC(=O)N2CCOc3ccccc3C2)(c2ccccc2)C1=O ZINC000012451914 523287072 /nfs/dbraw/zinc/28/70/72/523287072.db2.gz YFJXRYCDGKVLLH-RUZDIDTESA-N 0 0 436.508 2.531 50 0 IFAARN CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)Cn2ccc(C)n2)CC1)c1ccccc1 ZINC000012756150 523334619 /nfs/dbraw/zinc/33/46/19/523334619.db2.gz DNASBOLDNQYHOK-JOCHJYFZSA-N 0 0 436.516 2.578 50 0 IFAARN COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccc(OC)c(OC)c1 ZINC000022390298 523336844 /nfs/dbraw/zinc/33/68/44/523336844.db2.gz KXTLGDOIALVTTI-HOTGVXAUSA-N 0 0 430.432 2.689 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000012140130 523346081 /nfs/dbraw/zinc/34/60/81/523346081.db2.gz XRHPMDUTFTZCNW-UHFFFAOYSA-N 0 0 449.488 2.643 50 0 IFAARN COc1ccc(-n2nnnc2C2(N3CCN(C(=O)c4ccco4)CC3)CCCCC2)cc1 ZINC000035622552 523354292 /nfs/dbraw/zinc/35/42/92/523354292.db2.gz ILSYSVUIIXOLHS-UHFFFAOYSA-N 0 0 436.516 2.881 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000036041591 523361290 /nfs/dbraw/zinc/36/12/90/523361290.db2.gz YGJYNGRWRYQLOK-YADHBBJMSA-N 0 0 426.513 2.712 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cc(OC)ccc1OC ZINC000036045409 523361456 /nfs/dbraw/zinc/36/14/56/523361456.db2.gz QUEVYXDBCUYJRJ-MSOLQXFVSA-N 0 0 432.542 2.774 50 0 IFAARN COc1ccc(/C=C/C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1OC ZINC000035590036 523396612 /nfs/dbraw/zinc/39/66/12/523396612.db2.gz LWFFDSPFRXMVSS-CSKARUKUSA-N 0 0 429.454 2.809 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)cc1C ZINC000021713768 523486361 /nfs/dbraw/zinc/48/63/61/523486361.db2.gz GABRIVPNMQTZRS-UHFFFAOYSA-N 0 0 431.496 2.683 50 0 IFAARN CN(Cc1cnccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000012588067 523503978 /nfs/dbraw/zinc/50/39/78/523503978.db2.gz YYYWLZNKBPKZJQ-QHCPKHFHSA-N 0 0 445.523 2.618 50 0 IFAARN CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000011873227 523549460 /nfs/dbraw/zinc/54/94/60/523549460.db2.gz CHBLDAAMDQWDOR-HXUWFJFHSA-N 0 0 433.512 2.961 50 0 IFAARN COc1ccc(C(=O)CSc2nc(C3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000012140400 523588792 /nfs/dbraw/zinc/58/87/92/523588792.db2.gz DPXJRWZXUZRSJG-UHFFFAOYSA-N 0 0 440.525 2.668 50 0 IFAARN COc1ccc(C(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)c(OC)c1OC ZINC000012004220 523626700 /nfs/dbraw/zinc/62/67/00/523626700.db2.gz XIMZJFNCYZDEBJ-UHFFFAOYSA-N 0 0 428.489 2.735 50 0 IFAARN CCn1nc(C)c(CNC(=O)CC[C@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)c1C ZINC000012218563 523644061 /nfs/dbraw/zinc/64/40/61/523644061.db2.gz MRPXCAFEPHCLLX-HSZRJFAPSA-N 0 0 430.524 2.955 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccno3)o2)cc1 ZINC000012234502 523650036 /nfs/dbraw/zinc/65/00/36/523650036.db2.gz FXBWLIRLBYYIAC-UHFFFAOYSA-N 0 0 425.426 2.802 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000012599108 523650237 /nfs/dbraw/zinc/65/02/37/523650237.db2.gz TXGIJDYKSHWXPH-JOCHJYFZSA-N 0 0 449.532 2.564 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1OC)C(C)=O ZINC000035962453 523652690 /nfs/dbraw/zinc/65/26/90/523652690.db2.gz BNCPFLGXTHPNKD-QFIPXVFZSA-N 0 0 439.512 2.876 50 0 IFAARN COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1OC ZINC000021130040 523688839 /nfs/dbraw/zinc/68/88/39/523688839.db2.gz YGHRQSLPUTXPQJ-UHFFFAOYSA-N 0 0 431.876 2.853 50 0 IFAARN CN1C(=O)CN(c2ccc(S(=O)(=O)N3CCCCC3)cc2OCc2ccccc2)C1=O ZINC000012391748 523693844 /nfs/dbraw/zinc/69/38/44/523693844.db2.gz WEBADJKUEFRJGD-UHFFFAOYSA-N 0 0 443.525 2.839 50 0 IFAARN CN1C(=O)CN(c2ccc(S(=O)(=O)N3CCCC3)cc2OCc2ccc(F)cc2)C1=O ZINC000012389060 523693987 /nfs/dbraw/zinc/69/39/87/523693987.db2.gz UFVLNLQOVIAHPL-UHFFFAOYSA-N 0 0 447.488 2.588 50 0 IFAARN COc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1S(=O)(=O)NC(C)C ZINC000012491534 523693935 /nfs/dbraw/zinc/69/39/35/523693935.db2.gz XYSNRJXDMMVCCQ-UHFFFAOYSA-N 0 0 430.530 2.552 50 0 IFAARN CN1C(=O)c2cc(C(=O)NC3CCCCCC3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021874665 523728419 /nfs/dbraw/zinc/72/84/19/523728419.db2.gz SVAAMVNSKLFMNN-QHCPKHFHSA-N 0 0 429.565 2.629 50 0 IFAARN CN1C(=O)c2cc(C(=O)NCc3cccs3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021875465 523730910 /nfs/dbraw/zinc/73/09/10/523730910.db2.gz IPXQXNMUUFKUMM-QFIPXVFZSA-N 0 0 443.573 2.558 50 0 IFAARN CN1C(=O)c2cc(C(=O)Nc3cc(F)ccc3F)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021874924 523731536 /nfs/dbraw/zinc/73/15/36/523731536.db2.gz RXMMIOOAMMNVEB-JOCHJYFZSA-N 0 0 445.470 2.707 50 0 IFAARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1OC ZINC000012371194 523731725 /nfs/dbraw/zinc/73/17/25/523731725.db2.gz AQGSTIPZXRGTNT-GOSISDBHSA-N 0 0 429.395 2.577 50 0 IFAARN CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCc1cccc(Cl)c1 ZINC000021782288 523733931 /nfs/dbraw/zinc/73/39/31/523733931.db2.gz ZHRFDQXQVAOXJI-HSZRJFAPSA-N 0 0 438.915 2.572 50 0 IFAARN COc1ccc(C(=O)Nc2cc(OC)c(OC)cc2CCNC(C)=O)c(OC)c1OC ZINC000015083686 523745200 /nfs/dbraw/zinc/74/52/00/523745200.db2.gz YFUKLZTWDUXTAW-UHFFFAOYSA-N 0 0 432.473 2.661 50 0 IFAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)C1CC1 ZINC000035770237 523750105 /nfs/dbraw/zinc/75/01/05/523750105.db2.gz MQIJDXANGUXVPL-UHFFFAOYSA-N 0 0 437.489 2.987 50 0 IFAARN COc1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1S(=O)(=O)NC1CC1 ZINC000036037934 523751304 /nfs/dbraw/zinc/75/13/04/523751304.db2.gz BVPZTWVIJQBSEK-UHFFFAOYSA-N 0 0 430.530 2.774 50 0 IFAARN COCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000016050767 523755438 /nfs/dbraw/zinc/75/54/38/523755438.db2.gz ZGNUJJMJMJKYCG-UHFFFAOYSA-N 0 0 431.539 2.587 50 0 IFAARN CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)Cc2cccs2)C3)n(C)n1 ZINC000011880823 523768933 /nfs/dbraw/zinc/76/89/33/523768933.db2.gz MADKEJTVDAREGX-UHFFFAOYSA-N 0 0 437.569 2.805 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000032983152 523777599 /nfs/dbraw/zinc/77/75/99/523777599.db2.gz FGTZCAWKSZJVBE-UHFFFAOYSA-N 0 0 438.509 2.646 50 0 IFAARN CC[C@H](C(=O)NCc1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035402960 523786710 /nfs/dbraw/zinc/78/67/10/523786710.db2.gz YLIBSEOKPWQWQJ-LJQANCHMSA-N 0 0 431.895 2.745 50 0 IFAARN CCc1cc(N2CCOCC2)nc(SCc2cccc(C(=O)N3CCN(C)CC3)c2)n1 ZINC000036038501 523797120 /nfs/dbraw/zinc/79/71/20/523797120.db2.gz UKBNJYHFDDMJDD-UHFFFAOYSA-N 0 0 441.601 2.556 50 0 IFAARN CC[C@H](C(=O)Nc1cc(C)ccc1OC)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403281 523797575 /nfs/dbraw/zinc/79/75/75/523797575.db2.gz KQNDAVLXTXUQRF-LJQANCHMSA-N 0 0 427.476 2.731 50 0 IFAARN COCCN1C(=O)C[C@@](CC(=O)N(C)Cc2ccc(F)cc2)(c2ccccc2OC)C1=O ZINC000012098964 523798742 /nfs/dbraw/zinc/79/87/42/523798742.db2.gz NIWJMWFFEYEYGP-DEOSSOPVSA-N 0 0 442.487 2.526 50 0 IFAARN COC(=O)[C@@H]1[C@@H](c2ccc(OCc3ccccc3)cc2)[C@H](C(=O)OC)C(=O)C[C@]1(C)O ZINC000015938292 523810143 /nfs/dbraw/zinc/81/01/43/523810143.db2.gz LNRRHEGBTGNKRX-XARGGIHNSA-N 0 0 426.465 2.651 50 0 IFAARN CN(C(=O)CCc1nc(CN2CCN(C(=O)c3ccccc3)CC2)no1)C1CCCCC1 ZINC000020562450 523813305 /nfs/dbraw/zinc/81/33/05/523813305.db2.gz CYIYJFHIXHNCDU-UHFFFAOYSA-N 0 0 439.560 2.751 50 0 IFAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000022793413 523837027 /nfs/dbraw/zinc/83/70/27/523837027.db2.gz MWTXQDBXLXTGOX-XMMPIXPASA-N 0 0 436.556 2.580 50 0 IFAARN CN(C(=O)CSC[C@H](O)[C@@H](O)CSCC(=O)N(C)c1ccccc1)c1ccccc1 ZINC000012414114 523838880 /nfs/dbraw/zinc/83/88/80/523838880.db2.gz FVVYERYGDIUBDS-PMACEKPBSA-N 0 0 448.610 2.501 50 0 IFAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)N3CCN(c4ncccn4)CC3)C2)s1 ZINC000033078336 523850339 /nfs/dbraw/zinc/85/03/39/523850339.db2.gz WZENVUHJKZDVIS-INIZCTEOSA-N 0 0 437.573 2.609 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN(C)C(C)=O)[C@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000035947779 523875486 /nfs/dbraw/zinc/87/54/86/523875486.db2.gz UUBKOJCXGJCVAQ-NRFANRHFSA-N 0 0 425.485 2.868 50 0 IFAARN COc1ccc(C2=NN(CCC(=O)NCCc3ccc(OC)c(OC)c3)C(=O)CC2)cc1 ZINC000020726476 523878600 /nfs/dbraw/zinc/87/86/00/523878600.db2.gz SWYXXYKFGYEZJO-UHFFFAOYSA-N 0 0 439.512 2.788 50 0 IFAARN COC(=O)[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)cc1 ZINC000012891134 523881976 /nfs/dbraw/zinc/88/19/76/523881976.db2.gz CEOORNUSJFXOLH-LHSJRXKWSA-N 0 0 428.485 2.931 50 0 IFAARN COCCNC(=O)Nc1cc(C(=O)NCc2ccccc2OC)ccc1N1CCCC1 ZINC000021050156 523906981 /nfs/dbraw/zinc/90/69/81/523906981.db2.gz UTPVIBDCCQGLLE-UHFFFAOYSA-N 0 0 426.517 2.993 50 0 IFAARN COCCNC(=O)Nc1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)s1 ZINC000035590171 523908380 /nfs/dbraw/zinc/90/83/80/523908380.db2.gz GNLSHIWMOSBPPK-UHFFFAOYSA-N 0 0 449.602 2.879 50 0 IFAARN COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1c1ccc(OC)cc1OC ZINC000036059775 523913022 /nfs/dbraw/zinc/91/30/22/523913022.db2.gz ILJKTVCLLOIUPF-VQTJNVASSA-N 0 0 446.931 2.976 50 0 IFAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)Oc3cccc(Br)c3)c2)CC1 ZINC000012906676 523917128 /nfs/dbraw/zinc/91/71/28/523917128.db2.gz UPGOVSLZHJCPGP-UHFFFAOYSA-N 0 0 439.331 2.604 50 0 IFAARN COCCNC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036059782 523920701 /nfs/dbraw/zinc/92/07/01/523920701.db2.gz QPTJONVTLUCATJ-UXHICEINSA-N 0 0 446.931 2.976 50 0 IFAARN COCCNC(=O)c1c2c(sc1NC(=O)CSc1nnc(C3CC3)o1)CCCC2 ZINC000012862853 523921883 /nfs/dbraw/zinc/92/18/83/523921883.db2.gz OJRUPHLOESSLHU-UHFFFAOYSA-N 0 0 436.559 2.994 50 0 IFAARN COCCNC(=O)c1ccc(-c2nc(CCN(C)C(=O)c3ccccc3F)no2)cc1 ZINC000033273566 523923015 /nfs/dbraw/zinc/92/30/15/523923015.db2.gz NJIPOIKIIPVVCA-UHFFFAOYSA-N 0 0 426.448 2.567 50 0 IFAARN COCCNC(=O)c1ccc(CN2c3cc(-c4ccc(OC)cc4)nn3CCC2=O)cc1 ZINC000035373817 523923824 /nfs/dbraw/zinc/92/38/24/523923824.db2.gz WVENBHYYYGDTHR-UHFFFAOYSA-N 0 0 434.496 2.872 50 0 IFAARN COc1ccc(CCN2C(=O)c3ccc(C(=O)NCc4cccnc4)cc3C2=O)cc1OC ZINC000020744653 523948171 /nfs/dbraw/zinc/94/81/71/523948171.db2.gz OIPLFRORZJMMCZ-UHFFFAOYSA-N 0 0 445.475 2.868 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000020581424 523963234 /nfs/dbraw/zinc/96/32/34/523963234.db2.gz KVYCEJCUNNVMLS-WOJBJXKFSA-N 0 0 427.526 2.604 50 0 IFAARN CO[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)C1 ZINC000012159860 523969360 /nfs/dbraw/zinc/96/93/60/523969360.db2.gz CMHPTWFDODBOSN-NBGIEHNGSA-N 0 0 435.524 2.614 50 0 IFAARN CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](CC)O3)cc1 ZINC000035453062 523972018 /nfs/dbraw/zinc/97/20/18/523972018.db2.gz SGRRYLOKKDHGIE-SFHVURJKSA-N 0 0 445.541 2.926 50 0 IFAARN COc1ccc(CCNc2ncnc3sc(C(=O)NC[C@H](C)O)c(C)c32)cc1OC ZINC000014993507 523980182 /nfs/dbraw/zinc/98/01/82/523980182.db2.gz XXVTYAPLEOTDBK-LBPRGKRZSA-N 0 0 430.530 2.782 50 0 IFAARN COC(=O)[C@H]1SCCN1S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000012369531 523997178 /nfs/dbraw/zinc/99/71/78/523997178.db2.gz IYBNPZZOADHXQO-LLVKDONJSA-N 0 0 428.435 2.659 50 0 IFAARN COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccccc3Cl)c(=O)n12 ZINC000012371937 523999215 /nfs/dbraw/zinc/99/92/15/523999215.db2.gz UZOQQYAEEPJMRW-QTMFMZSGSA-N 0 0 440.908 2.512 50 0 IFAARN CN(C)C(=O)[C@@H]1CN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)c2ccccc2O1 ZINC000021477938 524013694 /nfs/dbraw/zinc/01/36/94/524013694.db2.gz MERHETXLNWGKGB-NRFANRHFSA-N 0 0 434.496 2.927 50 0 IFAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000035240343 524020325 /nfs/dbraw/zinc/02/03/25/524020325.db2.gz ONHBYYSYPHMWFV-NXHRZFHOSA-N 0 0 434.558 2.934 50 0 IFAARN CN(C)C(=O)c1ccc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)cc1 ZINC000021280709 524024252 /nfs/dbraw/zinc/02/42/52/524024252.db2.gz GWBGPWXRDGXYKK-UHFFFAOYSA-N 0 0 426.469 2.663 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2ccccc2Cl)c(F)c1 ZINC000012711614 524034535 /nfs/dbraw/zinc/03/45/35/524034535.db2.gz KFESRCLXOGAZET-FQEVSTJZSA-N 0 0 433.911 2.537 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cc(F)ccc2C)c(C)c1C ZINC000012571172 524034588 /nfs/dbraw/zinc/03/45/88/524034588.db2.gz XSLXVMCGLHNQMN-NRFANRHFSA-N 0 0 427.520 2.766 50 0 IFAARN CCc1ccc([C@H](C)NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1 ZINC000032946546 524044066 /nfs/dbraw/zinc/04/40/66/524044066.db2.gz KNAMSPLUEFLJRM-ZDUSSCGKSA-N 0 0 432.571 2.753 50 0 IFAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)c(OC)c1 ZINC000012745210 524048329 /nfs/dbraw/zinc/04/83/29/524048329.db2.gz PJDQHTIZSRCNNB-QGZVFWFLSA-N 0 0 432.517 2.617 50 0 IFAARN COc1ccc(CNC(=O)CNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000015775231 524051372 /nfs/dbraw/zinc/05/13/72/524051372.db2.gz TYWOEBRPATZCNG-UHFFFAOYSA-N 0 0 443.931 2.633 50 0 IFAARN COc1ccc(CNC(=O)CSc2ccc(S(=O)(=O)c3ccccc3)nn2)cc1 ZINC000033298307 524053358 /nfs/dbraw/zinc/05/33/58/524053358.db2.gz PDKTTZFRPOFCBB-UHFFFAOYSA-N 0 0 429.523 2.727 50 0 IFAARN COc1ccc(CNC(=O)N2CCCN(C(=O)NCc3ccc(OC)cc3)CC2)cc1 ZINC000012905599 524057228 /nfs/dbraw/zinc/05/72/28/524057228.db2.gz CRLAVZHVQVOKIM-UHFFFAOYSA-N 0 0 426.517 2.831 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)c3ccc(F)cc3)C2)cc1 ZINC000020511600 524062797 /nfs/dbraw/zinc/06/27/97/524062797.db2.gz FJZSLHHQCBMFDR-QGZVFWFLSA-N 0 0 435.521 2.544 50 0 IFAARN COc1ccc(CNC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)c2ccccc2)cc1 ZINC000035485245 524064198 /nfs/dbraw/zinc/06/41/98/524064198.db2.gz PTFZJLBSFTZXSK-BJKOFHAPSA-N 0 0 429.520 2.883 50 0 IFAARN COc1ccc(CNC(=O)c2nnn(Cc3nc(-c4ccccc4)oc3C)c2N)cc1OC ZINC000035527770 524068346 /nfs/dbraw/zinc/06/83/46/524068346.db2.gz AHXRGKNMSKYRMB-UHFFFAOYSA-N 0 0 448.483 2.819 50 0 IFAARN Cc1ccc(C)c(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000020927976 524118964 /nfs/dbraw/zinc/11/89/64/524118964.db2.gz COWAPJVUEJNXCD-JOCHJYFZSA-N 0 0 435.590 2.509 50 0 IFAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc(Br)cnc3N)CC2)c1 ZINC000020467600 524125640 /nfs/dbraw/zinc/12/56/40/524125640.db2.gz QUJRPNOPWAEWJO-UHFFFAOYSA-N 0 0 425.352 2.554 50 0 IFAARN Cc1ccc(C)c(NC(=O)Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)c1 ZINC000035375690 524141693 /nfs/dbraw/zinc/14/16/93/524141693.db2.gz ISHTVOIPHGFVSF-UHFFFAOYSA-N 0 0 435.503 2.965 50 0 IFAARN Cc1ccc(C)c(NC(=O)N2CCC(N3CCN(Cc4ccccn4)C(=O)C3=O)CC2)c1 ZINC000015774705 524143645 /nfs/dbraw/zinc/14/36/45/524143645.db2.gz VITWZKKFEKXWMR-UHFFFAOYSA-N 0 0 435.528 2.566 50 0 IFAARN COc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccccc3C)[nH]c2=O)cc1 ZINC000022721087 524166695 /nfs/dbraw/zinc/16/66/95/524166695.db2.gz GVSMQWYHNSUBPR-UHFFFAOYSA-N 0 0 436.497 2.864 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)c1 ZINC000012551580 524188129 /nfs/dbraw/zinc/18/81/29/524188129.db2.gz DFXHLQJZYLDEQL-UHFFFAOYSA-N 0 0 442.516 2.775 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3Cl)CC2)c1 ZINC000035504000 524188775 /nfs/dbraw/zinc/18/87/75/524188775.db2.gz CSKQEHVCKAMMDJ-UHFFFAOYSA-N 0 0 435.977 2.580 50 0 IFAARN Cc1cccc(C(=O)NCCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000012910541 524189881 /nfs/dbraw/zinc/18/98/81/524189881.db2.gz MDRHKKNMQWMXFN-UHFFFAOYSA-N 0 0 442.947 2.551 50 0 IFAARN C[C@@H]1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)C1 ZINC000012582010 524191643 /nfs/dbraw/zinc/19/16/43/524191643.db2.gz NPYWZADGWAKZKB-QGZVFWFLSA-N 0 0 432.590 2.939 50 0 IFAARN Cc1cc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)NN3CCOCC3)no2)c(C)c1 ZINC000036015003 524209144 /nfs/dbraw/zinc/20/91/44/524209144.db2.gz UJJIQTIHPHRGNL-LJQANCHMSA-N 0 0 426.517 2.625 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000012848519 524220562 /nfs/dbraw/zinc/22/05/62/524220562.db2.gz HDGGQBFOSUGWJG-UHFFFAOYSA-N 0 0 440.905 2.817 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCNC(=O)c1ccccc1OC ZINC000032966587 524221835 /nfs/dbraw/zinc/22/18/35/524221835.db2.gz VCRYAAQPPPNCGG-UHFFFAOYSA-N 0 0 433.892 2.574 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 ZINC000021527174 524239864 /nfs/dbraw/zinc/23/98/64/524239864.db2.gz RTLRYTRXZOPMAW-SFHVURJKSA-N 0 0 427.888 2.934 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000012911900 524256078 /nfs/dbraw/zinc/25/60/78/524256078.db2.gz YBMQRHVEEHPWMK-KGLIPLIRSA-N 0 0 430.455 2.988 50 0 IFAARN COc1ccccc1-c1cc(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)on1 ZINC000012814418 524267295 /nfs/dbraw/zinc/26/72/95/524267295.db2.gz BZUCTIRARBPZRB-UHFFFAOYSA-N 0 0 431.489 2.996 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCNC(=O)Nc2ccccc2)CC1 ZINC000012892246 524272344 /nfs/dbraw/zinc/27/23/44/524272344.db2.gz DBIKGRWMQDSEGL-UHFFFAOYSA-N 0 0 437.544 2.598 50 0 IFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000252585129 524275082 /nfs/dbraw/zinc/27/50/82/524275082.db2.gz GJQWOFWQNXMFMM-QWFCFKBJSA-N 0 0 427.545 2.692 50 0 IFAARN COc1ccccc1-c1coc2c(ccc3c2CN([C@@H]2CCS(=O)(=O)C2)CO3)c1=O ZINC000012442536 524276788 /nfs/dbraw/zinc/27/67/88/524276788.db2.gz DIFVSOAUUZNMME-CQSZACIVSA-N 0 0 427.478 2.808 50 0 IFAARN COc1ccccc1-n1c(=O)n(CC(=O)Nc2ccc(F)cc2)c(=O)c2c(C)cc(C)nc21 ZINC000012446440 524298102 /nfs/dbraw/zinc/29/81/02/524298102.db2.gz BZYPAMVEJNJLGY-UHFFFAOYSA-N 0 0 448.454 2.951 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)c(C)c1 ZINC000035432430 524316171 /nfs/dbraw/zinc/31/61/71/524316171.db2.gz NGLAHQBAWGMRSS-UHFFFAOYSA-N 0 0 429.517 2.851 50 0 IFAARN Cc1cc(C)c2c(=O)n(CC(=O)N(C)c3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n1 ZINC000012446312 524341823 /nfs/dbraw/zinc/34/18/23/524341823.db2.gz QJVYJOGGEQGIDH-UHFFFAOYSA-N 0 0 432.455 2.966 50 0 IFAARN Cc1cc(C)c2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)n(-c3ccccc3)c2n1 ZINC000012446336 524342024 /nfs/dbraw/zinc/34/20/24/524342024.db2.gz QYBAMLOEXHVEFP-UHFFFAOYSA-N 0 0 428.492 2.523 50 0 IFAARN Cc1cc(C)cc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c(c2=O)SCC3)c1 ZINC000012140567 524355971 /nfs/dbraw/zinc/35/59/71/524355971.db2.gz IXAKEORFVDVIAW-MRXNPFEDSA-N 0 0 431.583 2.885 50 0 IFAARN COc1ccc(N2C(=O)c3cc(C)nn3C[C@]2(C)C(=O)NCc2ccccc2)c(OC)c1 ZINC000035477317 524397601 /nfs/dbraw/zinc/39/76/01/524397601.db2.gz BDACYFLEHPQJQT-XMMPIXPASA-N 0 0 434.496 2.944 50 0 IFAARN Cc1cc(C)cc(NC(=O)Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)c1 ZINC000035375697 524422718 /nfs/dbraw/zinc/42/27/18/524422718.db2.gz CZRCAVASMOBOGZ-UHFFFAOYSA-N 0 0 435.503 2.965 50 0 IFAARN COc1ccccc1CCNc1ncnc2sc(C(=O)NC[C@H]3COCCO3)c(C)c21 ZINC000012098822 524424982 /nfs/dbraw/zinc/42/49/82/524424982.db2.gz MJFZNOYWBFBPAI-INIZCTEOSA-N 0 0 442.541 2.808 50 0 IFAARN C[C@H]1CCc2sc(C(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cc2C1 ZINC000012781376 524443861 /nfs/dbraw/zinc/44/38/61/524443861.db2.gz KAUJWLUFOYNNAC-KXBFYZLASA-N 0 0 426.538 2.997 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)CC2=O)cc1Cl ZINC000011865997 524446503 /nfs/dbraw/zinc/44/65/03/524446503.db2.gz QXHSNYYRCUJZQL-OAHLLOKOSA-N 0 0 425.876 2.980 50 0 IFAARN COc1ccccc1CNC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000012929108 524466263 /nfs/dbraw/zinc/46/62/63/524466263.db2.gz CCOIPBDNQYVLJD-UHFFFAOYSA-N 0 0 432.476 2.952 50 0 IFAARN COc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000016961359 524469588 /nfs/dbraw/zinc/46/95/88/524469588.db2.gz CFINZDYFYVUPDW-UHFFFAOYSA-N 0 0 430.526 2.777 50 0 IFAARN COc1ccccc1CNC(=O)[C@H](C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012865248 524476162 /nfs/dbraw/zinc/47/61/62/524476162.db2.gz CDBRAQGRBQMVMA-MQNRADLISA-N 0 0 446.507 2.917 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc5c(c4)OCCO5)CC3)nc(C)n2)n1 ZINC000035597330 524477492 /nfs/dbraw/zinc/47/74/92/524477492.db2.gz QVGYGKOJBXPRIA-UHFFFAOYSA-N 0 0 449.515 2.713 50 0 IFAARN COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000020848358 524477769 /nfs/dbraw/zinc/47/77/69/524477769.db2.gz BDZURDMASIJRCS-SFHVURJKSA-N 0 0 430.551 2.963 50 0 IFAARN COc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1S(=O)(=O)N(C)C ZINC000021599182 524487420 /nfs/dbraw/zinc/48/74/20/524487420.db2.gz QTQMJAUFEWSNOH-UHFFFAOYSA-N 0 0 436.515 2.628 50 0 IFAARN Cc1cccc(Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)ccc2=O)c1 ZINC000015669227 524495423 /nfs/dbraw/zinc/49/54/23/524495423.db2.gz PNCUOSJPINVSIT-UHFFFAOYSA-N 0 0 439.537 2.596 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2CCCc2ccccc2)n1 ZINC000012231406 524497750 /nfs/dbraw/zinc/49/77/50/524497750.db2.gz JXVDKMNDOBHVGM-UHFFFAOYSA-N 0 0 434.544 2.988 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(Cl)cccc2Cl)n1 ZINC000012231363 524497767 /nfs/dbraw/zinc/49/77/67/524497767.db2.gz MLVQCNUUIFFLAH-UHFFFAOYSA-N 0 0 433.299 2.591 50 0 IFAARN Cc1cc(C)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000035396710 524506647 /nfs/dbraw/zinc/50/66/47/524506647.db2.gz QYSBYGVLVGOPLE-UHFFFAOYSA-N 0 0 428.485 2.753 50 0 IFAARN COc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3cc(=O)[nH]n32)cc1 ZINC000021537268 524507403 /nfs/dbraw/zinc/50/74/03/524507403.db2.gz GMTDUJYGPBBIAI-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN COc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c(OC)c1 ZINC000021871774 524517854 /nfs/dbraw/zinc/51/78/54/524517854.db2.gz XCXXFRGSABSTIV-CQSZACIVSA-N 0 0 446.525 2.804 50 0 IFAARN Cc1ccc(CNC(=O)NCC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1 ZINC000012767426 524525486 /nfs/dbraw/zinc/52/54/86/524525486.db2.gz BQBQYGBIXFUQNX-UHFFFAOYSA-N 0 0 447.333 2.654 50 0 IFAARN Cc1cc(C)n(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)n1 ZINC000012438136 524528441 /nfs/dbraw/zinc/52/84/41/524528441.db2.gz GCVXYFUINMDPHF-DEOSSOPVSA-N 0 0 445.567 2.674 50 0 IFAARN Cc1cc(C)n(CCNC(=O)[C@@H]2Cc3nc(NC(=O)c4ccsc4)sc3C(=O)C2)n1 ZINC000012456721 524529397 /nfs/dbraw/zinc/52/93/97/524529397.db2.gz JZOPYUIJYUCSMJ-CQSZACIVSA-N 0 0 443.554 2.832 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCC(C)CC3)c2)cc1Cl ZINC000015767121 524531644 /nfs/dbraw/zinc/53/16/44/524531644.db2.gz WOLVTGNBXFPYEX-UHFFFAOYSA-N 0 0 426.926 2.604 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(SC)c(S(=O)(=O)c3ccc(C)cc3)c2N)cc1 ZINC000021910938 524532467 /nfs/dbraw/zinc/53/24/67/524532467.db2.gz BSKMJHKJOCGAPF-UHFFFAOYSA-N 0 0 446.554 2.976 50 0 IFAARN COc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccccc4C)c3c2=O)c(OC)c1 ZINC000012228499 524532620 /nfs/dbraw/zinc/53/26/20/524532620.db2.gz UXPMAXZKTHNCPT-UHFFFAOYSA-N 0 0 433.468 2.855 50 0 IFAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3OC)c2N)cc1Cl ZINC000020575029 524534479 /nfs/dbraw/zinc/53/44/79/524534479.db2.gz CKMMPFQVLJDWPG-UHFFFAOYSA-N 0 0 444.879 2.730 50 0 IFAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)o1 ZINC000021532503 524541434 /nfs/dbraw/zinc/54/14/34/524541434.db2.gz QMMOEAYFQSKIOT-QGZVFWFLSA-N 0 0 445.541 2.580 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1 ZINC000012194412 524551698 /nfs/dbraw/zinc/55/16/98/524551698.db2.gz ODZMQAIFUYJUDV-UHFFFAOYSA-N 0 0 429.542 2.588 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)CC1 ZINC000015730677 524559338 /nfs/dbraw/zinc/55/93/38/524559338.db2.gz XXOQTSNRJNFUPN-OAHLLOKOSA-N 0 0 447.582 2.886 50 0 IFAARN COc1ccccc1NC(=O)CCn1c(=O)c2c3c(sc2n(C)c1=O)COC(C)(C)C3 ZINC000012391361 524590185 /nfs/dbraw/zinc/59/01/85/524590185.db2.gz RFXLGTJKBBGXAP-UHFFFAOYSA-N 0 0 443.525 2.650 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)CCNC(=O)c2ccc(Br)cc2)c1C ZINC000012767306 524598124 /nfs/dbraw/zinc/59/81/24/524598124.db2.gz CIQKTJPDTUYSHY-UHFFFAOYSA-N 0 0 432.318 2.941 50 0 IFAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c(OC)c1 ZINC000012561805 524637074 /nfs/dbraw/zinc/63/70/74/524637074.db2.gz ZXYBHXTWLFKETA-HUUCEWRRSA-N 0 0 434.514 2.754 50 0 IFAARN COc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000012633909 524651104 /nfs/dbraw/zinc/65/11/04/524651104.db2.gz BVDRHFANKHDDBG-UHFFFAOYSA-N 0 0 434.456 2.690 50 0 IFAARN COc1ccccc1Nc1ncccc1C(=O)NCc1ccc(CS(N)(=O)=O)cc1 ZINC000024610350 524651978 /nfs/dbraw/zinc/65/19/78/524651978.db2.gz ZPLWBUKUQDSFGT-UHFFFAOYSA-N 0 0 426.498 2.552 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000012854451 524659157 /nfs/dbraw/zinc/65/91/57/524659157.db2.gz JBBQHJJPCZKZMD-ROUUACIJSA-N 0 0 428.554 2.946 50 0 IFAARN COc1ccccc1OC[C@H]1CN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)CCO1 ZINC000022641975 524684489 /nfs/dbraw/zinc/68/44/89/524684489.db2.gz WGCKPDPTJGRVBO-QGZVFWFLSA-N 0 0 431.485 2.570 50 0 IFAARN Cc1cccc(OCC(=O)N2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)c1 ZINC000035534551 524714604 /nfs/dbraw/zinc/71/46/04/524714604.db2.gz VUWXXPJMMLNZJL-UHFFFAOYSA-N 0 0 438.915 2.922 50 0 IFAARN C[C@@H]1CCc2sc(C(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cc2C1 ZINC000012781381 524735634 /nfs/dbraw/zinc/73/56/34/524735634.db2.gz KAUJWLUFOYNNAC-DNVCBOLYSA-N 0 0 426.538 2.997 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2 ZINC000021932267 524745380 /nfs/dbraw/zinc/74/53/80/524745380.db2.gz JRIIKYWQMYAVJN-UHFFFAOYSA-N 0 0 441.918 2.593 50 0 IFAARN COc1ccccc1[C@@H]1CN2C(=O)CN(CCCO)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012879409 524762762 /nfs/dbraw/zinc/76/27/62/524762762.db2.gz IZHCLDJDQCGDCG-BVZFJXPGSA-N 0 0 433.508 2.590 50 0 IFAARN Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c1 ZINC000012674241 524768808 /nfs/dbraw/zinc/76/88/08/524768808.db2.gz GWUODXNOFZLBIE-ZDUSSCGKSA-N 0 0 448.526 2.724 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NC[C@H]3CCCO3)no2)c1 ZINC000036014752 524788144 /nfs/dbraw/zinc/78/81/44/524788144.db2.gz SJGHABHVOFTMSR-APWZRJJASA-N 0 0 443.500 2.649 50 0 IFAARN COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N[C@@H]4CCOC4)c3C3CC3)n2)c1 ZINC000012213517 524792595 /nfs/dbraw/zinc/79/25/95/524792595.db2.gz RSVJFTKYRLKKKG-OAHLLOKOSA-N 0 0 435.484 2.743 50 0 IFAARN COc1ccccc1[C@]1(CC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)CC(=O)N(C)C1=O ZINC000012205417 524820284 /nfs/dbraw/zinc/82/02/84/524820284.db2.gz IHCDOGCRNNKROT-NIYFSFCBSA-N 0 0 448.519 2.833 50 0 IFAARN C[C@@H](COc1ccc2c(c1)OCO2)NC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000020890552 524824428 /nfs/dbraw/zinc/82/44/28/524824428.db2.gz MGXJUJYCUAJNJA-LBPRGKRZSA-N 0 0 449.389 2.671 50 0 IFAARN COc1ccc(OC)c(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)c1 ZINC000021940919 524846744 /nfs/dbraw/zinc/84/67/44/524846744.db2.gz CCAWCOJAXWDAQZ-UHFFFAOYSA-N 0 0 435.484 2.980 50 0 IFAARN COc1ccc(OC)c(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000021871921 524853325 /nfs/dbraw/zinc/85/33/25/524853325.db2.gz HFPZNQJSLSLRIZ-AWEZNQCLSA-N 0 0 446.525 2.804 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2cc(OCc3ccc(F)cc3)c(=O)cc2CO)c1 ZINC000012231089 524856017 /nfs/dbraw/zinc/85/60/17/524856017.db2.gz VMOPHQPIZLHJPY-UHFFFAOYSA-N 0 0 442.443 2.715 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1 ZINC000012569501 524892526 /nfs/dbraw/zinc/89/25/26/524892526.db2.gz XSKPBNDTIWOPCR-FMKFIRIRSA-N 0 0 429.517 2.868 50 0 IFAARN Cc1ccc(N(CCCC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000020567999 524897521 /nfs/dbraw/zinc/89/75/21/524897521.db2.gz LVZFEXMZHDKVAM-UHFFFAOYSA-N 0 0 429.586 2.886 50 0 IFAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCC2)c(C)c1 ZINC000020927984 524918751 /nfs/dbraw/zinc/91/87/51/524918751.db2.gz QMHXJHGQFPGZOY-QFIPXVFZSA-N 0 0 435.590 2.509 50 0 IFAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCC2)cc1C ZINC000020927994 524919839 /nfs/dbraw/zinc/91/98/39/524919839.db2.gz AQXRWAKAYLVRKU-QFIPXVFZSA-N 0 0 435.590 2.509 50 0 IFAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCCn2ccnc2C)c1 ZINC000012434297 524925633 /nfs/dbraw/zinc/92/56/33/524925633.db2.gz MPVKZPDNDLPBMK-UHFFFAOYSA-N 0 0 440.544 2.800 50 0 IFAARN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C[C@@H](C)O1 ZINC000012772703 524932987 /nfs/dbraw/zinc/93/29/87/524932987.db2.gz ORXBTZAJTMQHQH-HUUCEWRRSA-N 0 0 429.970 2.562 50 0 IFAARN Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)CC2)c(C)c1 ZINC000020940476 524965605 /nfs/dbraw/zinc/96/56/05/524965605.db2.gz MXDPFGWBZXCDEE-UHFFFAOYSA-N 0 0 430.555 2.626 50 0 IFAARN COc1ccc(OC[C@H](O)CN(Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012389527 524971508 /nfs/dbraw/zinc/97/15/08/524971508.db2.gz YWOCTZSRUMJIJE-QZTJIDSGSA-N 0 0 439.961 2.778 50 0 IFAARN C[C@H]1Cc2cc(-c3cc(CNC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)no3)ccc2O1 ZINC000035589953 524975381 /nfs/dbraw/zinc/97/53/81/524975381.db2.gz QLWFWRXCSBRHQB-AWEZNQCLSA-N 0 0 441.509 2.845 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)Nc3ccccc3F)ccc2N1C(=O)C1CC1 ZINC000020529714 524981047 /nfs/dbraw/zinc/98/10/47/524981047.db2.gz OZLITASSHCCXJR-AWEZNQCLSA-N 0 0 445.516 2.820 50 0 IFAARN Cc1cc(F)ccc1NC(=O)CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000035560292 524988467 /nfs/dbraw/zinc/98/84/67/524988467.db2.gz YBBSDEGJMRTBLL-UHFFFAOYSA-N 0 0 445.516 2.837 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nn(-c2cccc(Cl)c2)nc1C ZINC000012697396 525000556 /nfs/dbraw/zinc/00/05/56/525000556.db2.gz MONKEKSQVIRLRS-UHFFFAOYSA-N 0 0 449.920 2.740 50 0 IFAARN Cc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000021911237 525013890 /nfs/dbraw/zinc/01/38/90/525013890.db2.gz ZEPZKGXVRMVXDU-UHFFFAOYSA-N 0 0 449.492 2.895 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCN1CCSC1=O ZINC000012789826 525028194 /nfs/dbraw/zinc/02/81/94/525028194.db2.gz UMOSQDGXNXKZKM-UHFFFAOYSA-N 0 0 441.575 2.757 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 ZINC000012793873 525034930 /nfs/dbraw/zinc/03/49/30/525034930.db2.gz IUSZGJURWRLKBI-SFHVURJKSA-N 0 0 431.558 2.732 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)cc1 ZINC000015882281 525039875 /nfs/dbraw/zinc/03/98/75/525039875.db2.gz MWTZXSMBJQRMGM-UHFFFAOYSA-N 0 0 425.514 2.740 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000012796804 525041200 /nfs/dbraw/zinc/04/12/00/525041200.db2.gz GNUITDSDSAISIU-UHFFFAOYSA-N 0 0 448.516 2.916 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000012555326 525053646 /nfs/dbraw/zinc/05/36/46/525053646.db2.gz JDKJZIBXOHSNAX-GASCZTMLSA-N 0 0 435.473 2.663 50 0 IFAARN COc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1F ZINC000009661059 525060059 /nfs/dbraw/zinc/06/00/59/525060059.db2.gz VFJQXZDTAQDOGS-UHFFFAOYSA-N 0 0 437.880 2.690 50 0 IFAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCCC4)C3)cc2NC1=O ZINC000035240749 525064569 /nfs/dbraw/zinc/06/45/69/525064569.db2.gz YDQINIFUDCGCBU-CVEARBPZSA-N 0 0 449.573 2.646 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc32)c(Br)c1 ZINC000012757326 525066687 /nfs/dbraw/zinc/06/66/87/525066687.db2.gz BADJFPQMSMGVGL-UHFFFAOYSA-N 0 0 430.258 2.800 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)NC[C@@H](O)c3ccccc3)cc2)cc1 ZINC000012407982 525066915 /nfs/dbraw/zinc/06/69/15/525066915.db2.gz KSVDHVREGUNXND-JOCHJYFZSA-N 0 0 440.521 2.637 50 0 IFAARN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000078935825 525067646 /nfs/dbraw/zinc/06/76/46/525067646.db2.gz TXUAGYMMONHGKM-KBPBESRZSA-N 0 0 436.534 2.670 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1F ZINC000020568013 525083893 /nfs/dbraw/zinc/08/38/93/525083893.db2.gz ADFXYYLFJYYFFJ-UHFFFAOYSA-N 0 0 428.507 2.810 50 0 IFAARN Cc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NCCc3ccccn3)o2)n1 ZINC000036038893 525086297 /nfs/dbraw/zinc/08/62/97/525086297.db2.gz NSPBYJCKEPLQSL-UHFFFAOYSA-N 0 0 439.541 2.874 50 0 IFAARN COc1nn(C)cc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1C ZINC000012422566 525090702 /nfs/dbraw/zinc/09/07/02/525090702.db2.gz LURTZQKKROAPFG-UHFFFAOYSA-N 0 0 426.424 2.974 50 0 IFAARN COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)Nc2cccc(Cl)c2)s1 ZINC000021011302 525090758 /nfs/dbraw/zinc/09/07/58/525090758.db2.gz AVBKIZNVFZZGED-UHFFFAOYSA-N 0 0 438.922 2.917 50 0 IFAARN C[C@@H](NC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000021942037 525108502 /nfs/dbraw/zinc/10/85/02/525108502.db2.gz MGVDJBNQANUENF-DYESRHJHSA-N 0 0 434.540 2.971 50 0 IFAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@H](C)C(=O)Nc1ncnc2[nH]cnc21 ZINC000022188774 525113793 /nfs/dbraw/zinc/11/37/93/525113793.db2.gz NXWPADLQUOOHLP-SNVBAGLBSA-N 0 0 430.490 2.891 50 0 IFAARN Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)no1 ZINC000021886639 525119209 /nfs/dbraw/zinc/11/92/09/525119209.db2.gz PSIHRRMCSFQDAN-UHFFFAOYSA-N 0 0 443.529 2.825 50 0 IFAARN C[C@H]1c2ccsc2CCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000012740579 525130641 /nfs/dbraw/zinc/13/06/41/525130641.db2.gz XNOSMRIXFMFDQI-AWEZNQCLSA-N 0 0 446.598 2.964 50 0 IFAARN C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(-n2cncn2)cc1 ZINC000012691088 525136589 /nfs/dbraw/zinc/13/65/89/525136589.db2.gz JQRATOYRBPWXSQ-OAHLLOKOSA-N 0 0 445.570 2.533 50 0 IFAARN CS(=O)(=O)N(CCCNC(=O)CCc1ncc(-c2ccccc2)o1)Cc1cccnc1 ZINC000040105273 525155770 /nfs/dbraw/zinc/15/57/70/525155770.db2.gz CIVAWZJPOJTYES-UHFFFAOYSA-N 0 0 442.541 2.637 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1 ZINC000024731128 525159286 /nfs/dbraw/zinc/15/92/86/525159286.db2.gz KKLCKAVAPQNWTF-FQEVSTJZSA-N 0 0 426.542 2.635 50 0 IFAARN Cc1cc(NC(=O)Cc2ccccc2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 ZINC000012444290 525162064 /nfs/dbraw/zinc/16/20/64/525162064.db2.gz NYTWBCUKAVIKBS-UHFFFAOYSA-N 0 0 425.452 2.784 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C1 ZINC000015912194 525213196 /nfs/dbraw/zinc/21/31/96/525213196.db2.gz MOXWAWKOULDSGT-HZPDHXFCSA-N 0 0 427.526 2.952 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)C1 ZINC000015962699 525213214 /nfs/dbraw/zinc/21/32/14/525213214.db2.gz WALVRSGRPJYAPS-JFIYKMOQSA-N 0 0 427.998 2.891 50 0 IFAARN C[C@H](NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)c1ccc(F)cc1 ZINC000012570882 525218319 /nfs/dbraw/zinc/21/83/19/525218319.db2.gz MQHMNZKWCZEUAU-INIZCTEOSA-N 0 0 449.548 2.966 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)c1 ZINC000015730127 525222517 /nfs/dbraw/zinc/22/25/17/525222517.db2.gz COFJMCLKBIHWSY-HNAYVOBHSA-N 0 0 443.525 2.815 50 0 IFAARN COc1ccc([C@@H]2[C@@H](O)C(c3c[nH]c4ccccc43)=NN2C(=O)Cn2ccsc2=N)cc1 ZINC000012542891 525272970 /nfs/dbraw/zinc/27/29/70/525272970.db2.gz YNKDDXCBKDHISJ-YADHBBJMSA-N 0 0 447.520 2.868 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)n1 ZINC000022802120 525274631 /nfs/dbraw/zinc/27/46/31/525274631.db2.gz JZOFPYHRRGVISU-UHFFFAOYSA-N 0 0 431.544 2.759 50 0 IFAARN C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(-n2cncn2)cc1 ZINC000012870904 525314635 /nfs/dbraw/zinc/31/46/35/525314635.db2.gz LFRUQEINHWUUJK-CYBMUJFWSA-N 0 0 433.921 2.662 50 0 IFAARN C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000023183782 525319473 /nfs/dbraw/zinc/31/94/73/525319473.db2.gz GDCFYBWCLNAYOD-CZUORRHYSA-N 0 0 433.302 2.866 50 0 IFAARN Cc1ccc(Nc2nnc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)s2)cc1 ZINC000012534840 525330768 /nfs/dbraw/zinc/33/07/68/525330768.db2.gz OPBMCHIKQQOECX-UHFFFAOYSA-N 0 0 445.570 2.870 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CC2)cc1 ZINC000013039165 534850889 /nfs/dbraw/zinc/85/08/89/534850889.db2.gz CCYGMOLRVNAJAO-UHFFFAOYSA-N 0 0 441.553 2.636 50 0 IFAARN Cc1ccc(OC(F)F)c(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1 ZINC000021624886 525369332 /nfs/dbraw/zinc/36/93/32/525369332.db2.gz NOJVLVQBPMMWQY-LLVKDONJSA-N 0 0 432.470 2.932 50 0 IFAARN COc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C(=O)NCC(C)C)c(OC)c1 ZINC000036060883 525422425 /nfs/dbraw/zinc/42/24/25/525422425.db2.gz LJQPQXVJRNWJDJ-RTWAWAEBSA-N 0 0 446.569 2.880 50 0 IFAARN Cc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1 ZINC000012769507 525464831 /nfs/dbraw/zinc/46/48/31/525464831.db2.gz ANSCRKBDIUZMNB-CQSZACIVSA-N 0 0 442.459 2.713 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1nncn1-c1ccccc1 ZINC000015187297 525494835 /nfs/dbraw/zinc/49/48/35/525494835.db2.gz QQPMLIYROZDIFQ-HNNXBMFYSA-N 0 0 445.570 2.945 50 0 IFAARN COc1ccc2c(CCNC(=O)COc3ccc4nc5n(c(=O)c4c3)CCC5)c[nH]c2c1 ZINC000012898884 525501087 /nfs/dbraw/zinc/50/10/87/525501087.db2.gz PCMJYUKZRLDIHQ-UHFFFAOYSA-N 0 0 432.480 2.570 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000012745094 525508704 /nfs/dbraw/zinc/50/87/04/525508704.db2.gz QGFRMOCTUVUZNS-LBPRGKRZSA-N 0 0 442.440 2.755 50 0 IFAARN Cc1c(-c2ccccc2)sc2ncnc(N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c12 ZINC000057286212 525510083 /nfs/dbraw/zinc/51/00/83/525510083.db2.gz LDZQNNUYAFFCPV-QGZVFWFLSA-N 0 0 428.583 2.976 50 0 IFAARN Cc1c(-c2ccccc2)sc2ncnc(N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c12 ZINC000057286213 525511334 /nfs/dbraw/zinc/51/13/34/525511334.db2.gz LDZQNNUYAFFCPV-KRWDZBQOSA-N 0 0 428.583 2.976 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012754219 525518086 /nfs/dbraw/zinc/51/80/86/525518086.db2.gz FXBKVBBGMLHPJG-UHFFFAOYSA-N 0 0 444.553 2.826 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)NC3CCCCC3)ccc2N1C(=O)C1CCC1 ZINC000021871197 525521769 /nfs/dbraw/zinc/52/17/69/525521769.db2.gz PTXYJJOQYIHEMX-MRXNPFEDSA-N 0 0 447.601 2.834 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000012880968 525522636 /nfs/dbraw/zinc/52/26/36/525522636.db2.gz AXEDREGAYDYBRJ-UHFFFAOYSA-N 0 0 428.963 2.780 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3F)CC2)cc1 ZINC000012868344 525522722 /nfs/dbraw/zinc/52/27/22/525522722.db2.gz VLSQOBLLIYZGEO-UHFFFAOYSA-N 0 0 446.953 2.919 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000001119192 525535288 /nfs/dbraw/zinc/53/52/88/525535288.db2.gz JWHRFMQFCQQNSZ-IBGZPJMESA-N 0 0 445.560 2.884 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cc1 ZINC000017100728 525543589 /nfs/dbraw/zinc/54/35/89/525543589.db2.gz TZLIKONGPXKOAX-UHFFFAOYSA-N 0 0 436.599 2.889 50 0 IFAARN C[C@@H]1NC2(CCN(C(=O)c3ccc(F)cc3)CC2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000036024150 525550551 /nfs/dbraw/zinc/55/05/51/525550551.db2.gz OLSQMDLJFDQFLD-HNNXBMFYSA-N 0 0 425.460 2.507 50 0 IFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000035871828 525550775 /nfs/dbraw/zinc/55/07/75/525550775.db2.gz XUQBABWCLZMMOU-FYYLOGMGSA-N 0 0 429.524 2.669 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000022789914 525568030 /nfs/dbraw/zinc/56/80/30/525568030.db2.gz JCEWTZWAOXZNIH-UHFFFAOYSA-N 0 0 437.993 2.623 50 0 IFAARN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)c(C)n1C ZINC000021636989 525568986 /nfs/dbraw/zinc/56/89/86/525568986.db2.gz DTFYKJKWHHYNOZ-UHFFFAOYSA-N 0 0 444.557 2.661 50 0 IFAARN Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c(C)n1C ZINC000021916709 525570098 /nfs/dbraw/zinc/57/00/98/525570098.db2.gz ZVTARTIOEDDFNE-IBGZPJMESA-N 0 0 449.573 2.841 50 0 IFAARN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)n1C ZINC000021154416 525574002 /nfs/dbraw/zinc/57/40/02/525574002.db2.gz SSPAIHOQPJLOQX-UHFFFAOYSA-N 0 0 447.557 2.865 50 0 IFAARN Cc1ccc(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(Br)c1 ZINC000012854299 525578440 /nfs/dbraw/zinc/57/84/40/525578440.db2.gz KNLLFTYQXSUYON-KRWDZBQOSA-N 0 0 439.375 2.937 50 0 IFAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cnn1-c1ccccc1 ZINC000012753913 525582019 /nfs/dbraw/zinc/58/20/19/525582019.db2.gz IJFNJZIHLCWNMX-UHFFFAOYSA-N 0 0 444.944 2.981 50 0 IFAARN CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1cccc(Cl)c1 ZINC000009253280 525594750 /nfs/dbraw/zinc/59/47/50/525594750.db2.gz PYULQVLFRZQPJD-INIZCTEOSA-N 0 0 437.974 2.817 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1nnc2ccccn21 ZINC000020736428 525595607 /nfs/dbraw/zinc/59/56/07/525595607.db2.gz JYXPLCRNJMOHLV-KRWDZBQOSA-N 0 0 445.570 2.629 50 0 IFAARN Cc1ccn(CCC(=O)NC[C@@H]2Cc3cccc(-c4ccc(S(C)(=O)=O)cc4)c3O2)n1 ZINC000014881724 525600490 /nfs/dbraw/zinc/60/04/90/525600490.db2.gz CJVXDEPJALRZAW-IBGZPJMESA-N 0 0 439.537 2.772 50 0 IFAARN CSC[C@@H](C(=O)OCC(=O)Nc1ccc(C)cc1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000012312003 525603304 /nfs/dbraw/zinc/60/33/04/525603304.db2.gz DSWVHOHJQDXEKL-JZXOWHBKSA-N 0 0 432.542 2.692 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)NCc1ccccc1Cl ZINC000012661872 525611504 /nfs/dbraw/zinc/61/15/04/525611504.db2.gz ITIKCEQVKLXGJD-BTYIYWSLSA-N 0 0 444.871 2.834 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1cccc3ccccc31)OCC(=O)N2 ZINC000035452128 525612390 /nfs/dbraw/zinc/61/23/90/525612390.db2.gz LSDPBAARGHSXNF-UHFFFAOYSA-N 0 0 439.493 2.738 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCC(C)(C)N1CCOCC1 ZINC000012747759 525618702 /nfs/dbraw/zinc/61/87/02/525618702.db2.gz QALHAMYKWZYLHC-UHFFFAOYSA-N 0 0 449.548 2.776 50 0 IFAARN C[C@@H]1Sc2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)cc2NC1=O ZINC000020578055 525626692 /nfs/dbraw/zinc/62/66/92/525626692.db2.gz MLNVZTOCVCJJCL-ZDUSSCGKSA-N 0 0 437.587 2.579 50 0 IFAARN Cc1c(C(=O)NCc2ccccc2)c(C)n2cnn(CC(=O)Nc3ccccc3)c(=O)c12 ZINC000033292980 525629325 /nfs/dbraw/zinc/62/93/25/525629325.db2.gz YFCDGWZJCYXERI-UHFFFAOYSA-N 0 0 429.480 2.682 50 0 IFAARN COc1ccc2nc(N(CCN(C)C)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 ZINC000012342328 525667367 /nfs/dbraw/zinc/66/73/67/525667367.db2.gz UVGCVOJZNRVORL-UHFFFAOYSA-N 0 0 433.555 2.917 50 0 IFAARN C[C@@H]1c2ccsc2CCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000012740581 525733132 /nfs/dbraw/zinc/73/31/32/525733132.db2.gz XNOSMRIXFMFDQI-CQSZACIVSA-N 0 0 446.598 2.964 50 0 IFAARN COc1cccc(-n2nnc3c2ncn(CC(=O)Nc2ccccc2C(F)(F)F)c3=O)c1 ZINC000016960701 525755875 /nfs/dbraw/zinc/75/58/75/525755875.db2.gz GGBFOAVJVPNGCB-UHFFFAOYSA-N 0 0 444.373 2.643 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012761165 525766527 /nfs/dbraw/zinc/76/65/27/525766527.db2.gz JCDUFDSOVUEIQS-UHFFFAOYSA-N 0 0 435.933 2.801 50 0 IFAARN Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000018285161 525824362 /nfs/dbraw/zinc/82/43/62/525824362.db2.gz QBZFOJBKWDXBPC-HDICACEKSA-N 0 0 444.491 2.617 50 0 IFAARN Cc1c(NC(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)c(=O)n(-c2ccccc2)n1C ZINC000012741172 525836841 /nfs/dbraw/zinc/83/68/41/525836841.db2.gz QEKMSFGYICEXBX-UHFFFAOYSA-N 0 0 439.541 2.634 50 0 IFAARN COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@H]43)=C2)c1 ZINC000035339820 525858962 /nfs/dbraw/zinc/85/89/62/525858962.db2.gz JPAGQUIAIQVZQO-QKYXUNIQSA-N 0 0 431.558 2.986 50 0 IFAARN Cc1ccc(-c2noc(C(=O)NCc3cccnc3)n2)cc1S(=O)(=O)N1CCCCC1 ZINC000035512697 525873761 /nfs/dbraw/zinc/87/37/61/525873761.db2.gz QFBXKGLJRFKXGY-UHFFFAOYSA-N 0 0 441.513 2.545 50 0 IFAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccn1 ZINC000033276258 525874858 /nfs/dbraw/zinc/87/48/58/525874858.db2.gz SVZMSQYLBLZJHB-ZDUSSCGKSA-N 0 0 427.486 2.623 50 0 IFAARN COc1cccc(CCC(=O)N2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)c1 ZINC000012710709 525879498 /nfs/dbraw/zinc/87/94/98/525879498.db2.gz MVIAVDQSCPKDAH-GOSISDBHSA-N 0 0 426.517 2.663 50 0 IFAARN C[C@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000017134306 525880560 /nfs/dbraw/zinc/88/05/60/525880560.db2.gz FONRJIHZFIQBQY-ZDUSSCGKSA-N 0 0 430.482 2.899 50 0 IFAARN Cc1c(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3)CC2)cnn1C(F)F ZINC000035531209 525883289 /nfs/dbraw/zinc/88/32/89/525883289.db2.gz ICIYFLAHENSTNV-UHFFFAOYSA-N 0 0 444.479 2.833 50 0 IFAARN C[C@H](OC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000021499852 525890857 /nfs/dbraw/zinc/89/08/57/525890857.db2.gz BZQGJBJLEWJQQY-LBPRGKRZSA-N 0 0 432.429 2.917 50 0 IFAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccc(Cl)cc1 ZINC000021944440 525893397 /nfs/dbraw/zinc/89/33/97/525893397.db2.gz YGHYRIXKSIUNKO-AWEZNQCLSA-N 0 0 437.901 2.789 50 0 IFAARN COc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]ccc4c3)CC2)c1 ZINC000020860558 525895118 /nfs/dbraw/zinc/89/51/18/525895118.db2.gz CHAJKSRKKOFMKN-UHFFFAOYSA-N 0 0 441.553 2.936 50 0 IFAARN C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NCCN1CCOCC1 ZINC000020547095 525916632 /nfs/dbraw/zinc/91/66/32/525916632.db2.gz SFFTUTKBEUQLFN-CQSZACIVSA-N 0 0 434.920 2.541 50 0 IFAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)NCc2ccc4c(c2)OCO4)nc3C)c(C)c1 ZINC000012228704 525932445 /nfs/dbraw/zinc/93/24/45/525932445.db2.gz BEDYDBSHMRWYHT-UHFFFAOYSA-N 0 0 445.479 2.553 50 0 IFAARN Cc1c2c(nn1-c1ccccc1)c(SCC(=O)NCCCN1CCCC1=O)nnc2C ZINC000015724494 525938426 /nfs/dbraw/zinc/93/84/26/525938426.db2.gz OWISFNACYDOENS-UHFFFAOYSA-N 0 0 438.557 2.653 50 0 IFAARN Cc1cnc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1 ZINC000012762713 525968854 /nfs/dbraw/zinc/96/88/54/525968854.db2.gz HARODFDVCWRNNM-UHFFFAOYSA-N 0 0 434.500 2.866 50 0 IFAARN C[C@@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)c1nc(N)nc(N(C)C)n1 ZINC000012900622 526013268 /nfs/dbraw/zinc/01/32/68/526013268.db2.gz RBEGLPGEZVPVCV-CYBMUJFWSA-N 0 0 429.554 2.596 50 0 IFAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000023694610 526033322 /nfs/dbraw/zinc/03/33/22/526033322.db2.gz XPXQOWJDVMEZKM-AWEZNQCLSA-N 0 0 425.876 2.866 50 0 IFAARN CSc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C(=O)N1CCOCC1 ZINC000016652402 526051252 /nfs/dbraw/zinc/05/12/52/526051252.db2.gz MRLKSWYIUPASAA-UHFFFAOYSA-N 0 0 432.567 2.628 50 0 IFAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cn1 ZINC000022413556 526076051 /nfs/dbraw/zinc/07/60/51/526076051.db2.gz OXHMSCKEWRQDLF-UHFFFAOYSA-N 0 0 441.491 2.718 50 0 IFAARN COc1cccc(F)c1-c1nc(C)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1 ZINC000012391613 526114445 /nfs/dbraw/zinc/11/44/45/526114445.db2.gz GADNNDGNBYHTRP-UHFFFAOYSA-N 0 0 449.529 2.886 50 0 IFAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)NC[C@H]3CCCO3)c2n1 ZINC000020579692 526115910 /nfs/dbraw/zinc/11/59/10/526115910.db2.gz FCQYKWDAJJVRHT-QGZVFWFLSA-N 0 0 439.899 2.885 50 0 IFAARN C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1C[C@@H](C)O[C@H](C)C1 ZINC000012620788 526129452 /nfs/dbraw/zinc/12/94/52/526129452.db2.gz FMNMAOKCWHINLH-BZUAXINKSA-N 0 0 443.997 2.951 50 0 IFAARN C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000012620792 526130819 /nfs/dbraw/zinc/13/08/19/526130819.db2.gz FMNMAOKCWHINLH-OWCLPIDISA-N 0 0 443.997 2.951 50 0 IFAARN C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012770664 526137632 /nfs/dbraw/zinc/13/76/32/526137632.db2.gz VPYUWGBLKSNABJ-OAHLLOKOSA-N 0 0 439.940 2.954 50 0 IFAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000012542207 526145115 /nfs/dbraw/zinc/14/51/15/526145115.db2.gz ZBLHXHBSBPRUOC-LJQANCHMSA-N 0 0 442.585 2.620 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N[C@H](C)CCc4ccccc4)C3)sc2n1 ZINC000020416629 526146153 /nfs/dbraw/zinc/14/61/53/526146153.db2.gz OSSLOEGNKDBOMN-QAPCUYQASA-N 0 0 425.558 2.813 50 0 IFAARN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012759121 526154583 /nfs/dbraw/zinc/15/45/83/526154583.db2.gz BRLJTWKKPLSIRL-MRXNPFEDSA-N 0 0 431.533 2.648 50 0 IFAARN CSc1ccccc1N1C(=O)CN(C(=O)Cc2ccc(N3CCNC3=O)cc2)C[C@H]1C ZINC000012204999 526163518 /nfs/dbraw/zinc/16/35/18/526163518.db2.gz QKKCQLCMFVVTAL-MRXNPFEDSA-N 0 0 438.553 2.745 50 0 IFAARN COc1cccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3c2ccc(OC)c3OC)c1 ZINC000012661735 526197396 /nfs/dbraw/zinc/19/73/96/526197396.db2.gz LJFFVCJOZDSDQX-YCRPNKLZSA-N 0 0 426.425 2.511 50 0 IFAARN Cc1cc(C(=O)CN(C)CC(=O)N2CCCC2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000012766443 526202397 /nfs/dbraw/zinc/20/23/97/526202397.db2.gz GXURVLXAGPOCLZ-LJQANCHMSA-N 0 0 425.529 2.682 50 0 IFAARN Cc1cc(C(=O)CN2CCN(c3ncccn3)CC2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000035362422 526207822 /nfs/dbraw/zinc/20/78/22/526207822.db2.gz VLEISURZIUAIQG-FQEVSTJZSA-N 0 0 447.539 2.740 50 0 IFAARN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000034858837 526240908 /nfs/dbraw/zinc/24/09/08/526240908.db2.gz DKWIUCZORBAHQU-INIZCTEOSA-N 0 0 427.998 2.826 50 0 IFAARN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000034857404 526241603 /nfs/dbraw/zinc/24/16/03/526241603.db2.gz IKXQTPMEUNKIJH-INIZCTEOSA-N 0 0 427.998 2.826 50 0 IFAARN Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000036023378 526257424 /nfs/dbraw/zinc/25/74/24/526257424.db2.gz CFYVOVNTGUPIAB-UHFFFAOYSA-N 0 0 443.617 2.640 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012929982 526261616 /nfs/dbraw/zinc/26/16/16/526261616.db2.gz RQWXBGHHDXEWOU-KBXCAEBGSA-N 0 0 448.416 2.995 50 0 IFAARN C[C@H]1CCCN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)C1 ZINC000012870643 526267107 /nfs/dbraw/zinc/26/71/07/526267107.db2.gz MZNQXQXJESRYON-YJBOKZPZSA-N 0 0 428.558 2.981 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012791666 526269558 /nfs/dbraw/zinc/26/95/58/526269558.db2.gz UKJUJXMPKDITDM-UHFFFAOYSA-N 0 0 432.590 2.540 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000012926772 526270020 /nfs/dbraw/zinc/27/00/20/526270020.db2.gz YZSZGRLEWINUEL-UHFFFAOYSA-N 0 0 446.617 2.848 50 0 IFAARN O=C(NCCCc1ccccc1)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 ZINC000020744315 526276253 /nfs/dbraw/zinc/27/62/53/526276253.db2.gz MPKDQQCIOZIHTL-UHFFFAOYSA-N 0 0 435.933 2.567 50 0 IFAARN Cc1nn(CCC(=O)N2CC[C@H](c3ccccc3)C2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029220 526276473 /nfs/dbraw/zinc/27/64/73/526276473.db2.gz IQWBKJDDCVYORT-FQEVSTJZSA-N 0 0 430.574 2.691 50 0 IFAARN Cc1nn(CCCC(=O)NCCCN2CCOCC2)c(=O)c2c3ccccc3sc21 ZINC000020467120 526279332 /nfs/dbraw/zinc/27/93/32/526279332.db2.gz JFMBMKRFWTVGGE-UHFFFAOYSA-N 0 0 428.558 2.538 50 0 IFAARN O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000022490673 526281577 /nfs/dbraw/zinc/28/15/77/526281577.db2.gz NDZMFOJXQQMEIY-IBGZPJMESA-N 0 0 430.505 2.604 50 0 IFAARN O=C(NCCCn1cnc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012489698 526292201 /nfs/dbraw/zinc/29/22/01/526292201.db2.gz VEQOXHULZPKKCH-UHFFFAOYSA-N 0 0 444.532 2.783 50 0 IFAARN Cc1nn([C@@H](C)C(=O)NCc2cccs2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000012907025 526301669 /nfs/dbraw/zinc/30/16/69/526301669.db2.gz BWTWMJIIHPJTDF-HNNXBMFYSA-N 0 0 436.559 2.853 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000016006748 526305406 /nfs/dbraw/zinc/30/54/06/526305406.db2.gz RVSWULHQRRABIR-DYESRHJHSA-N 0 0 440.993 2.894 50 0 IFAARN Cc1csc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)n1 ZINC000012322432 526383019 /nfs/dbraw/zinc/38/30/19/526383019.db2.gz MPIVYJVXORFJAT-OAHLLOKOSA-N 0 0 430.505 2.821 50 0 IFAARN O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000012582586 526401907 /nfs/dbraw/zinc/40/19/07/526401907.db2.gz WNPMWIDAIIIMBJ-QGZVFWFLSA-N 0 0 439.478 2.615 50 0 IFAARN O=C(NCCc1ccccc1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000012322203 526422403 /nfs/dbraw/zinc/42/24/03/526422403.db2.gz WGWCLXVTUNLZGL-FQEVSTJZSA-N 0 0 437.515 2.776 50 0 IFAARN O=C(OCc1cc(-c2cccs2)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012236739 526424207 /nfs/dbraw/zinc/42/42/07/526424207.db2.gz CRSSQFOPWAOZIN-UHFFFAOYSA-N 0 0 434.495 2.781 50 0 IFAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012796173 526433194 /nfs/dbraw/zinc/43/31/94/526433194.db2.gz YBUGDUCEJAVDDO-QGZVFWFLSA-N 0 0 427.501 2.766 50 0 IFAARN O=C(NCCc1ccccn1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000021899936 526434819 /nfs/dbraw/zinc/43/48/19/526434819.db2.gz GVQMCGQKRWECTJ-UHFFFAOYSA-N 0 0 439.493 2.626 50 0 IFAARN O=C(CCCNC(=O)[C@@H]1COc2ccccc2O1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012325140 526438600 /nfs/dbraw/zinc/43/86/00/526438600.db2.gz SYKLCTVEOOJMQE-NRFANRHFSA-N 0 0 443.931 2.725 50 0 IFAARN Cc1nnsc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1C1CC1 ZINC000012340592 526440191 /nfs/dbraw/zinc/44/01/91/526440191.db2.gz SICNIYPIXQSKEF-UHFFFAOYSA-N 0 0 430.515 2.942 50 0 IFAARN O=C(CCCNC(=O)c1ccccc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000040105172 526440984 /nfs/dbraw/zinc/44/09/84/526440984.db2.gz BXQUCQMEALHMRB-UHFFFAOYSA-N 0 0 429.480 2.693 50 0 IFAARN O=C(NCCc1cn2ccccc2n1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000012559945 526451485 /nfs/dbraw/zinc/45/14/85/526451485.db2.gz XNIJNIZBHBBGEK-QFIPXVFZSA-N 0 0 438.487 2.901 50 0 IFAARN Cc1csc2ncc(C(=O)NCCN3CCN(c4cc(Cl)ccc4C)CC3)c(=O)n12 ZINC000021717173 526457005 /nfs/dbraw/zinc/45/70/05/526457005.db2.gz VWGSJFRCYNDTLQ-UHFFFAOYSA-N 0 0 445.976 2.578 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2C1=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012635428 526481042 /nfs/dbraw/zinc/48/10/42/526481042.db2.gz GAOOYKXBVLKCJY-UHFFFAOYSA-N 0 0 434.492 2.697 50 0 IFAARN O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1ccccc1 ZINC000012389124 526500823 /nfs/dbraw/zinc/50/08/23/526500823.db2.gz COVADIMFKZQKAC-MRXNPFEDSA-N 0 0 449.960 2.886 50 0 IFAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(Br)cc1F ZINC000012906981 526510180 /nfs/dbraw/zinc/51/01/80/526510180.db2.gz ISRPELUSEMKVPO-UHFFFAOYSA-N 0 0 426.267 2.656 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(NC(=O)C2CC2)cc1 ZINC000012731358 526511416 /nfs/dbraw/zinc/51/14/16/526511416.db2.gz ZDKWOYOFCYSOHZ-UHFFFAOYSA-N 0 0 435.933 2.673 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1F ZINC000012787818 526513870 /nfs/dbraw/zinc/51/38/70/526513870.db2.gz BQUFSKMSMJZICE-UHFFFAOYSA-N 0 0 428.869 2.948 50 0 IFAARN O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCN(c2ccccn2)CC1 ZINC000012697499 526517937 /nfs/dbraw/zinc/51/79/37/526517937.db2.gz FDPNEGBOTDZPKO-QFIPXVFZSA-N 0 0 440.503 2.638 50 0 IFAARN Cc1nnc(CCNC(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)[nH]1 ZINC000012315122 526524010 /nfs/dbraw/zinc/52/40/10/526524010.db2.gz XQUMOFMLCZMTNK-GOSISDBHSA-N 0 0 431.544 2.634 50 0 IFAARN O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023559519 526525625 /nfs/dbraw/zinc/52/56/25/526525625.db2.gz PEABIENUDDRDDV-AWEZNQCLSA-N 0 0 436.409 2.941 50 0 IFAARN O=C(CCOc1ccccc1)Nc1cnn(CC(=O)NCCCn2ncc3ccccc32)c1 ZINC000012034494 526532992 /nfs/dbraw/zinc/53/29/92/526532992.db2.gz QAAJAHBTPRJCQT-UHFFFAOYSA-N 0 0 446.511 2.847 50 0 IFAARN O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000016685046 526559063 /nfs/dbraw/zinc/55/90/63/526559063.db2.gz HXBUYEDMYNAGKR-LJQANCHMSA-N 0 0 440.887 2.874 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCCC4)C3)c(C)s2)no1 ZINC000035426100 526562244 /nfs/dbraw/zinc/56/22/44/526562244.db2.gz TXXBRYBMGSMAJC-HNNXBMFYSA-N 0 0 438.575 2.828 50 0 IFAARN O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000012536713 526579536 /nfs/dbraw/zinc/57/95/36/526579536.db2.gz QZIVKDFJTCKOIT-UHFFFAOYSA-N 0 0 446.529 2.821 50 0 IFAARN O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012555575 526579858 /nfs/dbraw/zinc/57/98/58/526579858.db2.gz OWIQEXRUEPYZQA-UHFFFAOYSA-N 0 0 446.529 2.821 50 0 IFAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021351886 526581812 /nfs/dbraw/zinc/58/18/12/526581812.db2.gz VSHKUWUUGVYCQF-QGZVFWFLSA-N 0 0 441.509 2.978 50 0 IFAARN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000012868365 526606255 /nfs/dbraw/zinc/60/62/55/526606255.db2.gz PALIYNCVHMUMAU-AWNIVKPZSA-N 0 0 448.928 2.870 50 0 IFAARN O=C(CCc1ccccc1)NC(NCCCN1CCOCC1)(C(F)(F)F)C(F)(F)F ZINC000012376257 526609095 /nfs/dbraw/zinc/60/90/95/526609095.db2.gz KVKUWBSAIVBKFI-UHFFFAOYSA-N 0 0 441.416 2.868 50 0 IFAARN O=C(c1cc(S(=O)(=O)N2CCCCC2)c[nH]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020917855 526627374 /nfs/dbraw/zinc/62/73/74/526627374.db2.gz DVQPRAVGEYSPMU-UHFFFAOYSA-N 0 0 436.965 2.805 50 0 IFAARN O=C(c1cc(S(=O)(=O)N2CCCCC2)c[nH]1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000020917830 526627435 /nfs/dbraw/zinc/62/74/35/526627435.db2.gz RJHDXMXJGVRKGY-UHFFFAOYSA-N 0 0 436.965 2.805 50 0 IFAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012695274 526653855 /nfs/dbraw/zinc/65/38/55/526653855.db2.gz XQPCCRNIQZCRGQ-UHFFFAOYSA-N 0 0 440.525 2.669 50 0 IFAARN O=C(NCc1ccc(Cn2cccn2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000012626172 526665041 /nfs/dbraw/zinc/66/50/41/526665041.db2.gz UHJVIXBUMZJNIA-UHFFFAOYSA-N 0 0 444.582 2.710 50 0 IFAARN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCC1=CCCCC1 ZINC000012890304 526668501 /nfs/dbraw/zinc/66/85/01/526668501.db2.gz NLTSZVWEHQOUSS-UHFFFAOYSA-N 0 0 447.557 2.776 50 0 IFAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccccn1 ZINC000015722453 526672897 /nfs/dbraw/zinc/67/28/97/526672897.db2.gz YLVLKAKQZYMWMZ-UHFFFAOYSA-N 0 0 426.542 2.917 50 0 IFAARN O=C(c1ccc(F)c(F)c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 ZINC000020614806 526686310 /nfs/dbraw/zinc/68/63/10/526686310.db2.gz GVNKXZGZOJKLSI-UHFFFAOYSA-N 0 0 428.482 2.680 50 0 IFAARN O=C(CN(C(=O)c1ccco1)C1CC1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036062721 526693547 /nfs/dbraw/zinc/69/35/47/526693547.db2.gz ZDGWHFUKZWJTKR-UHFFFAOYSA-N 0 0 431.496 2.690 50 0 IFAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012617601 526704786 /nfs/dbraw/zinc/70/47/86/526704786.db2.gz DEVKYKDNJQZPHY-UHFFFAOYSA-N 0 0 438.431 2.613 50 0 IFAARN O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000012643149 526705989 /nfs/dbraw/zinc/70/59/89/526705989.db2.gz KATYKDDZPMKTKE-UHFFFAOYSA-N 0 0 433.420 2.788 50 0 IFAARN O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000012770552 526706474 /nfs/dbraw/zinc/70/64/74/526706474.db2.gz MAMCNKWJNFUPGP-UHFFFAOYSA-N 0 0 425.510 2.520 50 0 IFAARN O=C(CN1C(=O)COc2ccc(C(=O)N3CCCC3)cc21)NCCc1ccc(Cl)cc1 ZINC000035376750 526708365 /nfs/dbraw/zinc/70/83/65/526708365.db2.gz YWQCOTSMKYXIIA-UHFFFAOYSA-N 0 0 441.915 2.660 50 0 IFAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000018087436 526718053 /nfs/dbraw/zinc/71/80/53/526718053.db2.gz JZAUDPRTPXJYRR-KBPBESRZSA-N 0 0 432.502 2.859 50 0 IFAARN O=C(CN1CCCCCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000012586574 526740060 /nfs/dbraw/zinc/74/00/60/526740060.db2.gz OZNCVAWQAVYDLB-UHFFFAOYSA-N 0 0 429.970 2.566 50 0 IFAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000024261842 526746301 /nfs/dbraw/zinc/74/63/01/526746301.db2.gz NVEDCGGFEYTLPL-UHFFFAOYSA-N 0 0 447.538 2.914 50 0 IFAARN O=C(c1cccc(-n2cnnn2)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022605504 526749134 /nfs/dbraw/zinc/74/91/34/526749134.db2.gz GGGQOUKMOLZPMQ-UHFFFAOYSA-N 0 0 431.525 2.744 50 0 IFAARN O=C(CN1CCN(C(=O)CN(Cc2ccc(F)cc2)C2CC2)CC1)Nc1cccc(F)c1 ZINC000012918623 526761807 /nfs/dbraw/zinc/76/18/07/526761807.db2.gz OILKXTKOCBXFIF-UHFFFAOYSA-N 0 0 442.510 2.712 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1)Nc1ccc(F)cc1 ZINC000012757758 526764888 /nfs/dbraw/zinc/76/48/88/526764888.db2.gz XTDIISFTCWYJKT-UHFFFAOYSA-N 0 0 440.397 2.558 50 0 IFAARN O=C(CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)N1CCCC1 ZINC000035338757 526766161 /nfs/dbraw/zinc/76/61/61/526766161.db2.gz FAKCCJGAQSNYKY-UHFFFAOYSA-N 0 0 443.551 2.920 50 0 IFAARN Cc1oc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2c1c(C)n[nH]c2=O ZINC000022016951 526776342 /nfs/dbraw/zinc/77/63/42/526776342.db2.gz PUSJTTOLMXEWAB-UHFFFAOYSA-N 0 0 449.433 2.912 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)NC1CCCCC1 ZINC000012887150 526778679 /nfs/dbraw/zinc/77/86/79/526778679.db2.gz XTTHMFBOEZYGMX-UHFFFAOYSA-N 0 0 434.389 2.749 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CCCCCC1 ZINC000012859927 526780079 /nfs/dbraw/zinc/78/00/79/526780079.db2.gz SKBMLGMYQZCHKE-UHFFFAOYSA-N 0 0 447.523 2.851 50 0 IFAARN O=C(NCc1coc(-c2cccs2)n1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000022025310 526808745 /nfs/dbraw/zinc/80/87/45/526808745.db2.gz DUJJNVFFLHHYQL-CYBMUJFWSA-N 0 0 425.466 2.844 50 0 IFAARN O=C(NCc1csc(-c2ccccc2)n1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000020908982 526808844 /nfs/dbraw/zinc/80/88/44/526808844.db2.gz WALFZGOLAOBFFJ-SFHVURJKSA-N 0 0 440.569 2.677 50 0 IFAARN O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(Cl)cc1F ZINC000012545361 526817825 /nfs/dbraw/zinc/81/78/25/526817825.db2.gz YFUHKRQBSUWBAU-IBGZPJMESA-N 0 0 433.867 2.544 50 0 IFAARN O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1cc(Cl)ccc1F ZINC000012537430 526818550 /nfs/dbraw/zinc/81/85/50/526818550.db2.gz KJYCMGTWNDKIOJ-IBGZPJMESA-N 0 0 433.867 2.544 50 0 IFAARN O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000012528493 526819313 /nfs/dbraw/zinc/81/93/13/526819313.db2.gz ZEXTTXWCMJORGS-LJQANCHMSA-N 0 0 449.429 2.770 50 0 IFAARN O=C(c1ccncc1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000020992250 526849734 /nfs/dbraw/zinc/84/97/34/526849734.db2.gz VDEHFFDMBHVKJN-QHCPKHFHSA-N 0 0 425.529 2.614 50 0 IFAARN O=C(CNC(=O)c1cc(Cl)ccn1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000012790293 526852455 /nfs/dbraw/zinc/85/24/55/526852455.db2.gz WVIRPWVCOCFHPD-UHFFFAOYSA-N 0 0 431.905 2.550 50 0 IFAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccc(OC(F)(F)F)cc1 ZINC000012800675 526858342 /nfs/dbraw/zinc/85/83/42/526858342.db2.gz WLRCRVZECVDRBW-UHFFFAOYSA-N 0 0 435.402 2.758 50 0 IFAARN O=C(CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)NCc1ccco1 ZINC000024277936 526862372 /nfs/dbraw/zinc/86/23/72/526862372.db2.gz DEUUEOYSOWLHKB-UHFFFAOYSA-N 0 0 447.900 2.780 50 0 IFAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC000035555858 526865567 /nfs/dbraw/zinc/86/55/67/526865567.db2.gz YLMKNKYUSAUXRB-ZDUSSCGKSA-N 0 0 436.559 2.663 50 0 IFAARN Cc1sc2nc(C)nc(SCC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)c2c1C ZINC000016816314 526889509 /nfs/dbraw/zinc/88/95/09/526889509.db2.gz JBDUFLFELMOZPP-UHFFFAOYSA-N 0 0 448.595 2.945 50 0 IFAARN O=C(CNc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012635863 526895743 /nfs/dbraw/zinc/89/57/43/526895743.db2.gz NVMLUHFAOLKDLQ-UHFFFAOYSA-N 0 0 427.448 2.650 50 0 IFAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)no1 ZINC000014771595 526911063 /nfs/dbraw/zinc/91/10/63/526911063.db2.gz MZPNBYLRWDLEBR-UHFFFAOYSA-N 0 0 430.486 2.768 50 0 IFAARN Cc1nc(COc2ccccc2C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)no1 ZINC000012770287 526911118 /nfs/dbraw/zinc/91/11/18/526911118.db2.gz MDCYDKRNLJCLIP-UHFFFAOYSA-N 0 0 442.497 2.994 50 0 IFAARN NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C(F)(F)F)cc1)CN(Cc1ccccc1)CC2 ZINC000035456609 526912844 /nfs/dbraw/zinc/91/28/44/526912844.db2.gz OYTBULXCVUBZJU-UHFFFAOYSA-N 0 0 442.441 2.973 50 0 IFAARN O=C(COC(=O)c1cccc(N2CCCS2(=O)=O)c1)Nc1cccc2ncccc21 ZINC000012896629 526915695 /nfs/dbraw/zinc/91/56/95/526915695.db2.gz UWGFAVCEELXRTI-UHFFFAOYSA-N 0 0 425.466 2.570 50 0 IFAARN O=C(COCc1cc(-c2cccs2)on1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020531679 526939582 /nfs/dbraw/zinc/93/95/82/526939582.db2.gz CAFRWBRVHXCKRG-UHFFFAOYSA-N 0 0 441.509 2.993 50 0 IFAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)NCCCN1CCCC1=O ZINC000012896219 526944991 /nfs/dbraw/zinc/94/49/91/526944991.db2.gz QNSUVXNUUWYCSP-UHFFFAOYSA-N 0 0 436.464 2.673 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000017179080 526951653 /nfs/dbraw/zinc/95/16/53/526951653.db2.gz KCKXQQRWBLHLAZ-UHFFFAOYSA-N 0 0 427.888 2.832 50 0 IFAARN Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1 ZINC000035655394 526963826 /nfs/dbraw/zinc/96/38/26/526963826.db2.gz RDSGAWVEZPQCMZ-UHFFFAOYSA-N 0 0 431.544 2.852 50 0 IFAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020760264 526973537 /nfs/dbraw/zinc/97/35/37/526973537.db2.gz RJWUPGTXPZGQKO-XBXARRHUSA-N 0 0 444.535 2.579 50 0 IFAARN O=C(COc1ccccc1)NCCN1CCN(c2nc3c(cc(F)cc3F)s2)CC1 ZINC000022852776 526983427 /nfs/dbraw/zinc/98/34/27/526983427.db2.gz BKDJGOPPEVXUSV-UHFFFAOYSA-N 0 0 432.496 2.892 50 0 IFAARN O=C(COc1ccccc1-c1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000012587394 526986540 /nfs/dbraw/zinc/98/65/40/526986540.db2.gz NXPAWZSHJSIIPA-WOJBJXKFSA-N 0 0 429.538 2.927 50 0 IFAARN O=C(COc1ccccc1Cl)N1CCC[C@H](C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000012590691 526990439 /nfs/dbraw/zinc/99/04/39/526990439.db2.gz MECSGDYOTIZILW-HNNXBMFYSA-N 0 0 440.891 2.572 50 0 IFAARN O=C(CSC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12)N1CCOCC1 ZINC000012407953 527011002 /nfs/dbraw/zinc/01/10/02/527011002.db2.gz DYHUSTLAXWETMR-UHFFFAOYSA-N 0 0 444.948 2.571 50 0 IFAARN NC(=O)c1c(NC(=O)COC(=O)c2cc3c(c(Cl)c2)OCO3)sc2c1CCCC2 ZINC000021447426 527019708 /nfs/dbraw/zinc/01/97/08/527019708.db2.gz FYSVFGSAILVCJA-UHFFFAOYSA-N 0 0 436.873 2.903 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1cccc(F)c1)CCCC2 ZINC000012696356 527021865 /nfs/dbraw/zinc/02/18/65/527021865.db2.gz HOHAFWUMEBUYLJ-UHFFFAOYSA-N 0 0 432.506 2.571 50 0 IFAARN Cn1c(=O)c2c(SCC(=O)NC3CCCCCCC3)nc(C(C)(C)C)nc2n(C)c1=O ZINC000015280812 527024889 /nfs/dbraw/zinc/02/48/89/527024889.db2.gz AOOIDIIFCRASNJ-UHFFFAOYSA-N 0 0 447.605 2.646 50 0 IFAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)c1ccc2c(c1)CCCC2 ZINC000012769197 527033959 /nfs/dbraw/zinc/03/39/59/527033959.db2.gz CJNGAYUPAUYMGS-UHFFFAOYSA-N 0 0 442.537 2.711 50 0 IFAARN O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCCCn1ncc2ccccc21 ZINC000012148730 527039297 /nfs/dbraw/zinc/03/92/97/527039297.db2.gz JOHJZAYAYYRXRF-UHFFFAOYSA-N 0 0 444.524 2.835 50 0 IFAARN O=C(CSc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)NCCN1C(=O)CSC1=O ZINC000012476216 527049865 /nfs/dbraw/zinc/04/98/65/527049865.db2.gz HRNFYMAZHNVFSY-UHFFFAOYSA-N 0 0 446.341 2.682 50 0 IFAARN O=C(CSc1ncc(CO)n1CC(=O)NCc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000017155878 527068219 /nfs/dbraw/zinc/06/82/19/527068219.db2.gz YIFXVGIUEGKMFI-UHFFFAOYSA-N 0 0 446.479 2.701 50 0 IFAARN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(Cc3ccc(Cl)s3)C[C@H]12 ZINC000014742002 527083337 /nfs/dbraw/zinc/08/33/37/527083337.db2.gz ZIOVBUDRRKIOPA-ZWKOTPCHSA-N 0 0 428.945 2.637 50 0 IFAARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000012930718 527085310 /nfs/dbraw/zinc/08/53/10/527085310.db2.gz VQGLXRVLGSFPHY-RNODOKPDSA-N 0 0 437.279 2.963 50 0 IFAARN O=C(CSc1nnnn1Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012523029 527096008 /nfs/dbraw/zinc/09/60/08/527096008.db2.gz OACLSKIHXMIFSQ-UHFFFAOYSA-N 0 0 428.949 2.816 50 0 IFAARN NC(=O)c1ncn2c1nc(-c1ccccc1)cc2C(=O)Nc1ccccc1N1CCOCC1 ZINC000012602135 527104251 /nfs/dbraw/zinc/10/42/51/527104251.db2.gz FIXGWAHDTROHTC-UHFFFAOYSA-N 0 0 442.479 2.584 50 0 IFAARN Cn1c2ccc(S(=O)(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cc2oc1=O ZINC000022903305 527105870 /nfs/dbraw/zinc/10/58/70/527105870.db2.gz FLOSQIMCFNRBOD-UHFFFAOYSA-N 0 0 439.497 2.917 50 0 IFAARN O=C(Nc1ccc(Br)cc1)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 ZINC000012390428 527155640 /nfs/dbraw/zinc/15/56/40/527155640.db2.gz VXSHZUMZTYMHOS-CYBMUJFWSA-N 0 0 446.305 2.587 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000032999791 527229706 /nfs/dbraw/zinc/22/97/06/527229706.db2.gz PKUOHDZNUCGQQU-HXUWFJFHSA-N 0 0 449.960 2.968 50 0 IFAARN O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1Br ZINC000012604705 527249289 /nfs/dbraw/zinc/24/92/89/527249289.db2.gz GKLDSHLXGXNMPM-UHFFFAOYSA-N 0 0 431.333 2.790 50 0 IFAARN Cc1ncc(CO)c2cc(C(=O)NC3=C[C@@H]4OCO[C@@H]4C=C3)/c(=N/c3ccccc3)oc12 ZINC000020617616 527281506 /nfs/dbraw/zinc/28/15/06/527281506.db2.gz VVTOPNAYOHOVPI-VKTMHMARSA-N 0 0 431.448 2.786 50 0 IFAARN Cc1ncc(CO)c2cc(C(=O)NC3=C[C@@H]4OCO[C@@H]4C=C3)/c(=N/c3ccc(F)cc3)oc12 ZINC000020617610 527282107 /nfs/dbraw/zinc/28/21/07/527282107.db2.gz RINCQWLNQLKGFZ-RJGDTXAUSA-N 0 0 449.438 2.925 50 0 IFAARN O=S(=O)(c1cccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1)N1CCOCC1 ZINC000022241030 527282802 /nfs/dbraw/zinc/28/28/02/527282802.db2.gz AMKLMDJCDKMBKB-OAQYLSRUSA-N 0 0 444.553 2.816 50 0 IFAARN O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000017099435 527288123 /nfs/dbraw/zinc/28/81/23/527288123.db2.gz QMEVLZMLUIXJHL-UHFFFAOYSA-N 0 0 435.354 2.689 50 0 IFAARN O=C(Nc1ccc2c(c1)OCO2)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)c1ccccc1 ZINC000035485265 527290210 /nfs/dbraw/zinc/29/02/10/527290210.db2.gz OGAOLUYPEVGMKN-NZQKXSOJSA-N 0 0 429.476 2.926 50 0 IFAARN O=C(Cc1cccs1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000025286983 527301398 /nfs/dbraw/zinc/30/13/98/527301398.db2.gz DEVMAVYMSVFLEO-UHFFFAOYSA-N 0 0 435.390 2.648 50 0 IFAARN NS(=O)(=O)c1ccc(CCNC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn32)cc1 ZINC000012600248 527309095 /nfs/dbraw/zinc/30/90/95/527309095.db2.gz BPASXPPVZGCWCP-UHFFFAOYSA-N 0 0 447.516 2.795 50 0 IFAARN NS(=O)(=O)c1ccc(CCNc2ncnc3c2cnn3-c2ccccc2Cl)cc1 ZINC000035586175 527311379 /nfs/dbraw/zinc/31/13/79/527311379.db2.gz HBQFXTMBYMNBAL-UHFFFAOYSA-N 0 0 428.905 2.771 50 0 IFAARN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000016125428 527319678 /nfs/dbraw/zinc/31/96/78/527319678.db2.gz YZRBAJGEWYLAKP-UHFFFAOYSA-N 0 0 432.502 2.545 50 0 IFAARN O=C(Nc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)c1)C1CC1 ZINC000022063710 527337745 /nfs/dbraw/zinc/33/77/45/527337745.db2.gz KXYHEGVKPORMCT-IBGZPJMESA-N 0 0 445.516 2.644 50 0 IFAARN O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1 ZINC000020577023 527348615 /nfs/dbraw/zinc/34/86/15/527348615.db2.gz URQVRMSHGUNBBW-UHFFFAOYSA-N 0 0 449.529 2.909 50 0 IFAARN O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000021113603 527349363 /nfs/dbraw/zinc/34/93/63/527349363.db2.gz GCHMQAQSKHGJDF-UHFFFAOYSA-N 0 0 429.473 2.707 50 0 IFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21)NCCSCc1ccco1 ZINC000021649813 527349819 /nfs/dbraw/zinc/34/98/19/527349819.db2.gz WVEXEDCMOPWZAL-UHFFFAOYSA-N 0 0 449.532 2.854 50 0 IFAARN O=C(Cn1c(=O)c2cnn(-c3ccccc3)c2nc1C1CC1)Nc1ccc2c(c1)OCO2 ZINC000012441662 527351645 /nfs/dbraw/zinc/35/16/45/527351645.db2.gz XYWOVINFTTUIOU-UHFFFAOYSA-N 0 0 429.436 2.827 50 0 IFAARN O=C(Cn1c(=O)cnc2ccccc21)OCc1cc2c(cc1Br)OCCO2 ZINC000021372117 527352320 /nfs/dbraw/zinc/35/23/20/527352320.db2.gz OPYGUIUUTQNOJK-UHFFFAOYSA-N 0 0 431.242 2.674 50 0 IFAARN O=C(Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)N1CCN(c2ccccc2)CC1 ZINC000033300959 527363430 /nfs/dbraw/zinc/36/34/30/527363430.db2.gz ZSAMGXVMOIOQIP-UHFFFAOYSA-N 0 0 431.540 2.736 50 0 IFAARN O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)Nc1ccc(Br)cc1 ZINC000017156256 527400619 /nfs/dbraw/zinc/40/06/19/527400619.db2.gz MRYRMXUMIOCOHT-UHFFFAOYSA-N 0 0 443.236 2.518 50 0 IFAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000023297098 527402408 /nfs/dbraw/zinc/40/24/08/527402408.db2.gz UOLUPKYUCCMVCA-UHFFFAOYSA-N 0 0 443.301 2.634 50 0 IFAARN O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012925346 527414265 /nfs/dbraw/zinc/41/42/65/527414265.db2.gz NMEAAHDYWCWKNV-UHFFFAOYSA-N 0 0 448.504 2.703 50 0 IFAARN O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)Nc1ccc2c(c1)OCO2 ZINC000022767883 527415104 /nfs/dbraw/zinc/41/51/04/527415104.db2.gz PMAKVUUAWZYQKE-UHFFFAOYSA-N 0 0 429.436 2.827 50 0 IFAARN O=c1[nH]c2ccccc2nc1CS(=O)(=O)c1ccc(I)cc1 ZINC000017028437 527444906 /nfs/dbraw/zinc/44/49/06/527444906.db2.gz FCWCUBYFPMMOGS-UHFFFAOYSA-N 0 0 426.235 2.502 50 0 IFAARN O=c1c(N2CCOCC2)nc2cc3c(cc2n1CCOc1ccc(Cl)cc1)OCCO3 ZINC000012922436 527451674 /nfs/dbraw/zinc/45/16/74/527451674.db2.gz HUJGVHQAVFHZNE-UHFFFAOYSA-N 0 0 443.887 2.737 50 0 IFAARN O=C(NC(=S)NCCCCCNC(=S)NC(=O)c1ccccc1)c1ccccc1 ZINC000035622982 527457916 /nfs/dbraw/zinc/45/79/16/527457916.db2.gz BRFLLNSMFRTVCL-UHFFFAOYSA-N 0 0 428.583 2.766 50 0 IFAARN O=c1ccc(-c2ccc(Cl)c(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c2)n[nH]1 ZINC000021152013 527483465 /nfs/dbraw/zinc/48/34/65/527483465.db2.gz ODWRLWTWYLXPDK-UHFFFAOYSA-N 0 0 448.907 2.740 50 0 IFAARN Cn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4ccc(Cl)cc4s3)C2)c1 ZINC000021030938 527485946 /nfs/dbraw/zinc/48/59/46/527485946.db2.gz FUCWHMITZVWTSJ-LLVKDONJSA-N 0 0 439.950 2.723 50 0 IFAARN O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012860317 527491881 /nfs/dbraw/zinc/49/18/81/527491881.db2.gz SDPWABRWYXBXOL-FQEVSTJZSA-N 0 0 433.961 2.666 50 0 IFAARN O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000012685656 527495809 /nfs/dbraw/zinc/49/58/09/527495809.db2.gz QZEHGZGOJBVJEV-OAHLLOKOSA-N 0 0 433.555 2.680 50 0 IFAARN O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1 ZINC000021532361 527516398 /nfs/dbraw/zinc/51/63/98/527516398.db2.gz MCCYMKAHYJCZNE-KRWDZBQOSA-N 0 0 433.574 2.811 50 0 IFAARN Cc1nn(-c2ccc(Br)cc2)cc1-c1noc(C(=O)NC[C@H]2CCCO2)n1 ZINC000020946699 527519864 /nfs/dbraw/zinc/51/98/64/527519864.db2.gz VIWFQRRJMLJYGB-CQSZACIVSA-N 0 0 432.278 2.902 50 0 IFAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)Nc1cc(F)ccc1F ZINC000015734460 527531654 /nfs/dbraw/zinc/53/16/54/527531654.db2.gz JYZWUSKOEQUANZ-UHFFFAOYSA-N 0 0 442.470 2.965 50 0 IFAARN Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(S(=O)(=O)c1cccs1)C2 ZINC000033140866 527539686 /nfs/dbraw/zinc/53/96/86/527539686.db2.gz VXYRPSPUQFNPCL-UHFFFAOYSA-N 0 0 427.511 2.946 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccccc1S(C)(=O)=O ZINC000022564129 527545106 /nfs/dbraw/zinc/54/51/06/527545106.db2.gz PWALNZLYERYACW-UHFFFAOYSA-N 0 0 427.482 2.688 50 0 IFAARN Cc1nn(-c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2CC(C)C)c(C)c1C ZINC000012232037 527570409 /nfs/dbraw/zinc/57/04/09/527570409.db2.gz RVORRBKFOOJKFR-UHFFFAOYSA-N 0 0 438.507 2.851 50 0 IFAARN Cc1nn(-c2nc3c(c(=O)n(Cc4cccc5ccccc54)c(=O)n3C)n2C)c(C)c1C ZINC000012231944 527570894 /nfs/dbraw/zinc/57/08/94/527570894.db2.gz FFUVTOCWTQCVKM-UHFFFAOYSA-N 0 0 428.496 2.746 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000035426170 527590034 /nfs/dbraw/zinc/59/00/34/527590034.db2.gz DIIOOLWHFJNTOL-UHFFFAOYSA-N 0 0 429.546 2.709 50 0 IFAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000015766494 527624702 /nfs/dbraw/zinc/62/47/02/527624702.db2.gz ADMYETKOSTXNCD-MRXNPFEDSA-N 0 0 433.530 2.529 50 0 IFAARN O=C(/C=C/c1cnc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012889715 527646052 /nfs/dbraw/zinc/64/60/52/527646052.db2.gz QVWLVEBAWPQZDK-PKNBQFBNSA-N 0 0 448.548 2.665 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000020509981 527672448 /nfs/dbraw/zinc/67/24/48/527672448.db2.gz ZLKUCZBZKHGTJH-AEFFLSMTSA-N 0 0 437.466 2.996 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12 ZINC000020765487 527673261 /nfs/dbraw/zinc/67/32/61/527673261.db2.gz AWIKVHHTAWTPBH-UHFFFAOYSA-N 0 0 427.451 2.721 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000012845523 527673392 /nfs/dbraw/zinc/67/33/92/527673392.db2.gz LGNZOCCREPMYEY-ROUUACIJSA-N 0 0 437.466 2.996 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 ZINC000020454506 527673493 /nfs/dbraw/zinc/67/34/93/527673493.db2.gz MDKLZOZPCUYLQR-UHFFFAOYSA-N 0 0 438.557 2.720 50 0 IFAARN Cc1nn(C)c2ncc(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3C(F)(F)F)cc12 ZINC000012798971 527686680 /nfs/dbraw/zinc/68/66/80/527686680.db2.gz OWJNKUZVSAJIHT-NSHDSACASA-N 0 0 441.435 2.601 50 0 IFAARN Cc1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c2c1cnn2-c1cccc(Cl)c1 ZINC000012228120 527702223 /nfs/dbraw/zinc/70/22/23/527702223.db2.gz VSNDREZELPYRFD-UHFFFAOYSA-N 0 0 425.851 3.000 50 0 IFAARN CCCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O ZINC000009519292 535147362 /nfs/dbraw/zinc/14/73/62/535147362.db2.gz CPDNGUTYTUIEJF-HNNXBMFYSA-N 0 0 441.532 2.892 50 0 IFAARN CC(C)C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000013113136 535297195 /nfs/dbraw/zinc/29/71/95/535297195.db2.gz USYYELKQQXPAGF-QHAWAJNXSA-N 0 0 427.520 2.840 50 0 IFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)N1CCCc2ccccc21 ZINC000010216697 535444461 /nfs/dbraw/zinc/44/44/61/535444461.db2.gz ICLXMMPNLIJRBJ-UHFFFAOYSA-N 0 0 438.553 2.656 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccccc2)c1 ZINC000008687815 535632863 /nfs/dbraw/zinc/63/28/63/535632863.db2.gz MXHBBUUVEHHHMT-UHFFFAOYSA-N 0 0 431.558 2.735 50 0 IFAARN CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccccc4F)CC3)cn2)cc1 ZINC000013809117 535692000 /nfs/dbraw/zinc/69/20/00/535692000.db2.gz SALHITWFJZKRKT-UHFFFAOYSA-N 0 0 436.487 2.797 50 0 IFAARN CCOC(=O)COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000000982664 535696949 /nfs/dbraw/zinc/69/69/49/535696949.db2.gz LPWGPCSXUOKTCC-UHFFFAOYSA-N 0 0 438.933 2.793 50 0 IFAARN CCc1sc2nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)n3ncnc3c2c1C ZINC000013551343 535952357 /nfs/dbraw/zinc/95/23/57/535952357.db2.gz JQJQPEPGBBBHKO-UHFFFAOYSA-N 0 0 442.570 2.721 50 0 IFAARN CCc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000003037355 536184103 /nfs/dbraw/zinc/18/41/03/536184103.db2.gz ZYNMAHIVEDSWKT-DEOSSOPVSA-N 0 0 437.496 2.812 50 0 IFAARN CN1C(=O)N(C)C(=O)C2(Cc3c(Cl)cccc3N3CCN(c4ccccc4)C[C@H]32)C1=O ZINC000009215840 536320709 /nfs/dbraw/zinc/32/07/09/536320709.db2.gz OWKAWYHQJDWIMW-IBGZPJMESA-N 0 0 438.915 2.628 50 0 IFAARN CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CCN(c4ccccc4)C[C@@H]32)C1=O ZINC000008768169 536320857 /nfs/dbraw/zinc/32/08/57/536320857.db2.gz KYJQXUSOYBKPOD-LJQANCHMSA-N 0 0 438.915 2.628 50 0 IFAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1 ZINC000009290864 536582244 /nfs/dbraw/zinc/58/22/44/536582244.db2.gz FMGMAYCQOZXGDZ-FMIVXFBMSA-N 0 0 438.553 2.890 50 0 IFAARN COc1ccc(/C=C/C(=O)OCC(=O)N2CCN(c3ccccc3OC)CC2)cc1OC ZINC000010974968 536595153 /nfs/dbraw/zinc/59/51/53/536595153.db2.gz NUOLTNLWCVSHPF-PKNBQFBNSA-N 0 0 440.496 2.618 50 0 IFAARN COc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(C)c(Cl)c2)CN=3)cc1OC ZINC000009462482 536614576 /nfs/dbraw/zinc/61/45/76/536614576.db2.gz UISUVECEPTYHOS-OCKHKDLRSA-N 0 0 429.929 2.772 50 0 IFAARN COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1 ZINC000009281620 536675102 /nfs/dbraw/zinc/67/51/02/536675102.db2.gz QEUPTPZJSWSARO-UHFFFAOYSA-N 0 0 431.496 2.804 50 0 IFAARN COc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)nn2)cc1OC ZINC000011695364 536896980 /nfs/dbraw/zinc/89/69/80/536896980.db2.gz HSDWOAIQJAGKLL-UHFFFAOYSA-N 0 0 446.554 2.733 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000013069001 537063755 /nfs/dbraw/zinc/06/37/55/537063755.db2.gz XIKFPXAEXIGIEJ-UHFFFAOYSA-N 0 0 445.585 2.638 50 0 IFAARN COc1ccccc1N1CCN(C(=O)COC(=O)c2ccc(Br)cc2)CC1 ZINC000010557155 537064713 /nfs/dbraw/zinc/06/47/13/537064713.db2.gz OFYNFFKXTJGDOX-UHFFFAOYSA-N 0 0 433.302 2.963 50 0 IFAARN Cn1c2nc(N3CCCCCC3)n(Cc3ccccc3Br)c2c(=O)[nH]c1=O ZINC000000625909 555512578 /nfs/dbraw/zinc/51/25/78/555512578.db2.gz CDTLSTCSJXCXPT-UHFFFAOYSA-N 0 0 432.322 2.615 50 0 IFAARN COc1cc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)cc(OC)c1OC ZINC000000628518 555513787 /nfs/dbraw/zinc/51/37/87/555513787.db2.gz SPXWNOJWZQYYKB-UHFFFAOYSA-N 0 0 448.541 2.920 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)cc1 ZINC000000633767 555516120 /nfs/dbraw/zinc/51/61/20/555516120.db2.gz DLZAUXADFWDGRL-YOEHRIQHSA-N 0 0 431.562 2.541 50 0 IFAARN Cc1cccc(Cn2c(SCC(=O)Nc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000000637541 555517221 /nfs/dbraw/zinc/51/72/21/555517221.db2.gz JTYSFJIZVRSLFH-UHFFFAOYSA-N 0 0 449.536 2.521 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2)cc1OC ZINC000000639970 555518058 /nfs/dbraw/zinc/51/80/58/555518058.db2.gz AQDYGLRVDYIUFG-UHFFFAOYSA-N 0 0 427.482 2.933 50 0 IFAARN Cn1c2nc(NC[C@@H]3CCCO3)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000000641012 555518435 /nfs/dbraw/zinc/51/84/35/555518435.db2.gz HQLAVNBTTDGILO-FQEVSTJZSA-N 0 0 445.523 2.584 50 0 IFAARN COc1ccc(C(=O)NC(=S)Nc2cccc(CO)c2)cc1I ZINC000000675685 555534311 /nfs/dbraw/zinc/53/43/11/555534311.db2.gz LDCYMUXLHQTJFA-UHFFFAOYSA-N 0 0 442.278 2.919 50 0 IFAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)cc(Br)c1O ZINC000000706411 555544966 /nfs/dbraw/zinc/54/49/66/555544966.db2.gz KPZLXCIQQVWELB-ABAIWWIYSA-N 0 0 441.278 2.513 50 0 IFAARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000000706490 555544997 /nfs/dbraw/zinc/54/49/97/555544997.db2.gz UHOGOPMXBVADHU-QLJPJBMISA-N 0 0 439.262 2.528 50 0 IFAARN O=C(NC(=S)Nc1ccc(I)cn1)c1ccc2c(c1)OCCO2 ZINC000000724756 555551295 /nfs/dbraw/zinc/55/12/95/555551295.db2.gz QCVXSCUHOBMFDF-UHFFFAOYSA-N 0 0 441.250 2.584 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000000759198 555554145 /nfs/dbraw/zinc/55/41/45/555554145.db2.gz ZAJLSEUBSNVJEO-PHJXOXRPSA-N 0 0 434.517 2.807 50 0 IFAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(OC)c2OC)c(OC)c1 ZINC000000779987 555554715 /nfs/dbraw/zinc/55/47/15/555554715.db2.gz HAELFPIETVGVGB-IBGZPJMESA-N 0 0 427.457 2.988 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000000786448 555556355 /nfs/dbraw/zinc/55/63/55/555556355.db2.gz VZVUJRYNHGMKCD-UHFFFAOYSA-N 0 0 426.878 2.540 50 0 IFAARN Cc1nc(SCC(=O)N(CC(C)C)CC(C)C)c2c(n1)n(CC(C)C)c(=O)n(C)c2=O ZINC000010525466 555560897 /nfs/dbraw/zinc/56/08/97/555560897.db2.gz TVWBCKZPLOCZPC-UHFFFAOYSA-N 0 0 449.621 2.687 50 0 IFAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000000815618 555561884 /nfs/dbraw/zinc/56/18/84/555561884.db2.gz XTGDGWQSXVGNRL-LJQANCHMSA-N 0 0 445.541 2.991 50 0 IFAARN COc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1OC ZINC000000857918 555571696 /nfs/dbraw/zinc/57/16/96/555571696.db2.gz RXMMSAYQQKTEOS-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000000861885 555572548 /nfs/dbraw/zinc/57/25/48/555572548.db2.gz ZFKRAQMLLKSJCD-RZXXJPOTSA-N 0 0 448.500 2.527 50 0 IFAARN CCOc1ccccc1N(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(C)cc1 ZINC000000889085 555579465 /nfs/dbraw/zinc/57/94/65/555579465.db2.gz RYZGWZYAAJCICU-GOSISDBHSA-N 0 0 432.542 2.884 50 0 IFAARN COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000000899721 555580907 /nfs/dbraw/zinc/58/09/07/555580907.db2.gz VSIFJRXNBNBEOV-UHFFFAOYSA-N 0 0 440.521 2.760 50 0 IFAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OC)cc2OC)c(OC)c1 ZINC000000909804 555582602 /nfs/dbraw/zinc/58/26/02/555582602.db2.gz KOOVUCALLPLQCU-HXUWFJFHSA-N 0 0 427.457 2.988 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(OC)c3)CC2)cc1 ZINC000000953228 555589713 /nfs/dbraw/zinc/58/97/13/555589713.db2.gz LGQMDTVCYGIPGF-UHFFFAOYSA-N 0 0 447.513 2.913 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000001015646 555602500 /nfs/dbraw/zinc/60/25/00/555602500.db2.gz VJNVCSYPYJMGLY-UHFFFAOYSA-N 0 0 443.319 2.726 50 0 IFAARN O=S(=O)(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccc2nonc21 ZINC000001028464 555605041 /nfs/dbraw/zinc/60/50/41/555605041.db2.gz INLNGIKFTDZWNA-UHFFFAOYSA-N 0 0 425.348 2.770 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)c(C)c1 ZINC000001108524 555630172 /nfs/dbraw/zinc/63/01/72/555630172.db2.gz JFHYAXCBWCVISB-UHFFFAOYSA-N 0 0 429.542 2.750 50 0 IFAARN O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001113240 555633017 /nfs/dbraw/zinc/63/30/17/555633017.db2.gz YRYNHFCJTNSYHV-UHFFFAOYSA-N 0 0 440.525 2.600 50 0 IFAARN COc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2SCC(=O)N2CCCC2)cc1 ZINC000001113478 555633022 /nfs/dbraw/zinc/63/30/22/555633022.db2.gz RMZOQAHWFSRKHL-UHFFFAOYSA-N 0 0 438.509 2.504 50 0 IFAARN O=C(NC(=S)Nc1ccc(I)cn1)c1ccc2c(c1)OCO2 ZINC000001120288 555637271 /nfs/dbraw/zinc/63/72/71/555637271.db2.gz ZMRBKDZACOIOBB-UHFFFAOYSA-N 0 0 427.223 2.542 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cccc(OC)c3)n2N)c1 ZINC000009716042 555645047 /nfs/dbraw/zinc/64/50/47/555645047.db2.gz ZMPIPKZGULVLJR-UHFFFAOYSA-N 0 0 447.586 2.990 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1Br ZINC000001131756 555645116 /nfs/dbraw/zinc/64/51/16/555645116.db2.gz SNUOPPKNGAXCHX-UHFFFAOYSA-N 0 0 449.348 2.654 50 0 IFAARN CCOC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000001133665 555646045 /nfs/dbraw/zinc/64/60/45/555646045.db2.gz OWYSEPOHFUZZSA-LICLKQGHSA-N 0 0 428.416 2.869 50 0 IFAARN COc1ccccc1N(CC(=O)Nc1ccccc1C(N)=O)S(=O)(=O)c1ccccc1 ZINC000001152580 555657196 /nfs/dbraw/zinc/65/71/96/555657196.db2.gz UWZRWQJLMMHNOS-UHFFFAOYSA-N 0 0 439.493 2.628 50 0 IFAARN COc1ccc(CNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000001174367 555668982 /nfs/dbraw/zinc/66/89/82/555668982.db2.gz MTGFKZUMGZANAJ-UHFFFAOYSA-N 0 0 427.320 2.540 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccccc1F ZINC000001179069 555670839 /nfs/dbraw/zinc/67/08/39/555670839.db2.gz VYTAHOKZEBVHBR-UHFFFAOYSA-N 0 0 448.257 2.835 50 0 IFAARN COc1ccc(CCN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000001185279 555673741 /nfs/dbraw/zinc/67/37/41/555673741.db2.gz KLZNFDDXLDAXKF-IBGZPJMESA-N 0 0 427.526 2.703 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 ZINC000001204445 555680013 /nfs/dbraw/zinc/68/00/13/555680013.db2.gz IEVCWCJDSAQYLF-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN Cc1nc2c3cccnc3sc2c(=O)n1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000046153707 555692775 /nfs/dbraw/zinc/69/27/75/555692775.db2.gz BNEOGTWVOSSUQB-UHFFFAOYSA-N 0 0 437.500 2.803 50 0 IFAARN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](c4ccccc4)CC3=O)c2)no1 ZINC000001440674 555697442 /nfs/dbraw/zinc/69/74/42/555697442.db2.gz BMNKUXTUJLSGSR-QGZVFWFLSA-N 0 0 425.466 2.940 50 0 IFAARN CCOC(=O)O[C@H](C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21 ZINC000001842686 555720154 /nfs/dbraw/zinc/72/01/54/555720154.db2.gz LSNWBKACGXCGAJ-CYBMUJFWSA-N 0 0 447.469 2.559 50 0 world IFAARN COCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000002076860 555736064 /nfs/dbraw/zinc/73/60/64/555736064.db2.gz QXYSAWGGMLBVBG-UHFFFAOYSA-N 0 0 426.922 2.615 50 0 IFAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NCCCO ZINC000002083070 555738913 /nfs/dbraw/zinc/73/89/13/555738913.db2.gz VRGATVWDGYORMT-UHFFFAOYSA-N 0 0 429.567 2.917 50 0 IFAARN COc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000002204655 555757751 /nfs/dbraw/zinc/75/77/51/555757751.db2.gz HNNRTIDAWRBQQD-INIZCTEOSA-N 0 0 436.295 2.971 50 0 IFAARN COc1ccc(CCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(N)=O)cc1OC ZINC000002226155 555759917 /nfs/dbraw/zinc/75/99/17/555759917.db2.gz NINMUZUHRNPIKD-MRXNPFEDSA-N 0 0 447.944 2.777 50 0 IFAARN CCN(CC)C(=O)CSc1nc2ccc(I)cc2c(=O)n1CC ZINC000002235112 555760474 /nfs/dbraw/zinc/76/04/74/555760474.db2.gz MIILPTMJMRFOIH-UHFFFAOYSA-N 0 0 445.326 2.982 50 0 IFAARN CCOC(=O)N[C@@](Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OCC)C(F)(F)F ZINC000002270318 555764158 /nfs/dbraw/zinc/76/41/58/555764158.db2.gz HNZGOVROJXXBJZ-INIZCTEOSA-N 0 0 437.440 2.706 50 0 IFAARN CCOc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)N=C3SCCC(=O)N32)cc1OC ZINC000002486178 555783960 /nfs/dbraw/zinc/78/39/60/555783960.db2.gz DUYMFUZFVROTLD-LJQANCHMSA-N 0 0 434.514 2.934 50 0 IFAARN CCOc1ccc([C@H]2C(C(=O)OCCOC)=C(C)N=C3SCCC(=O)N32)cc1OC ZINC000002486177 555783967 /nfs/dbraw/zinc/78/39/67/555783967.db2.gz DUYMFUZFVROTLD-IBGZPJMESA-N 0 0 434.514 2.934 50 0 IFAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000002503391 555784830 /nfs/dbraw/zinc/78/48/30/555784830.db2.gz UEVHLXLFYXDWNY-UHFFFAOYSA-N 0 0 436.511 2.715 50 0 IFAARN Cc1cccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCCN3CCOCC3)cc2)c1 ZINC000034675471 555794153 /nfs/dbraw/zinc/79/41/53/555794153.db2.gz JBFCRIMEZFZEQO-UHFFFAOYSA-N 0 0 435.568 2.929 50 0 IFAARN CCCN(CCC)C(=O)c1coc(CN2CCN(C[C@@H](O)Cc3ccccc3)CC2)n1 ZINC000034677639 555795968 /nfs/dbraw/zinc/79/59/68/555795968.db2.gz WHAMNMVDSNUIEU-NRFANRHFSA-N 0 0 428.577 2.658 50 0 IFAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)N(NC(=O)c2cccc(F)c2)C1=S ZINC000002729454 555803733 /nfs/dbraw/zinc/80/37/33/555803733.db2.gz KPTRIIKHUDTJEP-GOSISDBHSA-N 0 0 442.516 2.934 50 0 IFAARN Cc1ccc(C(=O)N(CC2CC2)C[C@@H]2CN(C[C@H](O)COc3ccccc3)CCO2)cc1 ZINC000034691685 555804637 /nfs/dbraw/zinc/80/46/37/555804637.db2.gz PHWDLVHMODSJGV-ZCYQVOJMSA-N 0 0 438.568 2.988 50 0 IFAARN Cc1ccc(C(=O)N(CC2CC2)C[C@@H]2CN(C[C@H](O)COCc3ccco3)CCO2)cc1 ZINC000034691687 555804656 /nfs/dbraw/zinc/80/46/56/555804656.db2.gz BDLNEFUNLKYOHH-UPVQGACJSA-N 0 0 442.556 2.719 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2ccccc2F)n(-c2cccc(Cl)c2)c1=O ZINC000034692895 555805310 /nfs/dbraw/zinc/80/53/10/555805310.db2.gz YFUCVNUQAWRKDW-UHFFFAOYSA-N 0 0 428.851 2.836 50 0 IFAARN CC[C@@H](Sc1nnc2c3ccccc3[nH]c2n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000002745941 555808923 /nfs/dbraw/zinc/80/89/23/555808923.db2.gz XBGFWXZSCFNXAA-OAHLLOKOSA-N 0 0 442.526 2.663 50 0 IFAARN COCCn1c(=O)c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2ccccc2Cl)c1=O ZINC000034694096 555809109 /nfs/dbraw/zinc/80/91/09/555809109.db2.gz KPGRPBSKZSBETO-UHFFFAOYSA-N 0 0 446.841 2.975 50 0 IFAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=S ZINC000002825688 555831031 /nfs/dbraw/zinc/83/10/31/555831031.db2.gz XZBJXBIBCDZGFL-MRXNPFEDSA-N 0 0 429.473 2.901 50 0 IFAARN COC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000010542054 555831044 /nfs/dbraw/zinc/83/10/44/555831044.db2.gz JSJAVKDTRWOODO-UHFFFAOYSA-N 0 0 430.526 2.845 50 0 IFAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000002838316 555834368 /nfs/dbraw/zinc/83/43/68/555834368.db2.gz LIMSHTZLDPXYTG-HNNXBMFYSA-N 0 0 433.530 2.628 50 0 IFAARN CN(c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002873684 555851153 /nfs/dbraw/zinc/85/11/53/555851153.db2.gz HVFXHABTZQIIKC-UHFFFAOYSA-N 0 0 435.933 2.503 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 ZINC000002881778 555855854 /nfs/dbraw/zinc/85/58/54/555855854.db2.gz QZAJUPNSHJMIKD-QGZVFWFLSA-N 0 0 446.525 2.830 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002915878 555862766 /nfs/dbraw/zinc/86/27/66/555862766.db2.gz GRAVRUWSRAODOO-FNGUVFISSA-N 0 0 434.517 2.812 50 0 IFAARN COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003016863 555880952 /nfs/dbraw/zinc/88/09/52/555880952.db2.gz WDQJCGYSLCXOMH-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN O=C(NCc1ccncc1)c1cc2n(n1)CCN(Cc1cccc(C(F)(F)F)c1)C2=O ZINC000034811264 555909084 /nfs/dbraw/zinc/90/90/84/555909084.db2.gz LMBHXVRVUACMCR-UHFFFAOYSA-N 0 0 429.402 2.883 50 0 IFAARN O=S(=O)(c1cccc(C2N=NC(=S)N2c2cccc(Cl)c2)c1)N1CCOCC1 ZINC000003280988 555913303 /nfs/dbraw/zinc/91/33/03/555913303.db2.gz RPROHCHOXTXKJP-UHFFFAOYSA-N 0 0 436.946 2.897 50 0 IFAARN O=C(NCCNC(=O)c1ccc2c(c1)OCO2)c1csc(COc2ccccc2F)n1 ZINC000034905885 555920015 /nfs/dbraw/zinc/92/00/15/555920015.db2.gz RWPKZNGRJUIJGH-UHFFFAOYSA-N 0 0 443.456 2.750 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000034857777 555924858 /nfs/dbraw/zinc/92/48/58/555924858.db2.gz SZQPBJPYZSIVNV-XMSQKQJNSA-N 0 0 429.586 2.841 50 0 IFAARN CC(C)(C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccco3)CC2)N1C(=O)c1ccccc1 ZINC000034920492 555931132 /nfs/dbraw/zinc/93/11/32/555931132.db2.gz YRJSBVNKXCAMCX-GOSISDBHSA-N 0 0 439.512 2.668 50 0 IFAARN CC(C)C(=O)N1CCC2(CC1)OC[C@@H](C(=O)N1CCC(C)CC1)N2C(=O)c1ccccc1 ZINC000034920442 555931229 /nfs/dbraw/zinc/93/12/29/555931229.db2.gz TVHJZBMOYRZTEJ-NRFANRHFSA-N 0 0 441.572 2.761 50 0 IFAARN CC[C@H](C)NC(=O)N1CCN(c2ncccc2C(=O)NCc2ccc(OC)cc2)CC1 ZINC000022640002 555937265 /nfs/dbraw/zinc/93/72/65/555937265.db2.gz UAHQGWREBJBQSM-KRWDZBQOSA-N 0 0 425.533 2.650 50 0 IFAARN Cc1ccc2nc(NC(=O)CCNS(=O)(=O)c3cccc4nsnc43)sc2c1 ZINC000003665798 555945068 /nfs/dbraw/zinc/94/50/68/555945068.db2.gz RQDMKXBAKGXRKZ-UHFFFAOYSA-N 0 0 433.540 2.917 50 0 IFAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000004536452 556000245 /nfs/dbraw/zinc/00/02/45/556000245.db2.gz SWPXBDJUGLEKES-PMACEKPBSA-N 0 0 428.485 2.544 50 0 biogenic,in-vitro IFAARN CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2C)CC1 ZINC000004580698 556002588 /nfs/dbraw/zinc/00/25/88/556002588.db2.gz MNYIBWQTKOAZSX-UHFFFAOYSA-N 0 0 425.485 2.927 50 0 IFAARN COC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000005023227 556028828 /nfs/dbraw/zinc/02/88/28/556028828.db2.gz PJKOLNKWGPPYIW-VQIMIIECSA-N 0 0 430.526 2.893 50 0 IFAARN CC(C)[C@@H](NC(=O)[C@@H](CSCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O ZINC000005062879 556030899 /nfs/dbraw/zinc/03/08/99/556030899.db2.gz ZAPMIDFJTRZCNZ-WOJBJXKFSA-N 0 0 443.569 2.841 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccc(OCc2ccccc2)cc1 ZINC000006244932 556082325 /nfs/dbraw/zinc/08/23/25/556082325.db2.gz RYIMDBIVOPYKLU-UHFFFAOYSA-N 0 0 425.510 2.743 50 0 IFAARN Cc1c(NC(=O)c2cc3c(nc4c(C)cccn4c3=O)n2C)c(=O)n(-c2ccccc2)n1C ZINC000002360133 556083532 /nfs/dbraw/zinc/08/35/32/556083532.db2.gz SFPLKAXAGDEMHS-UHFFFAOYSA-N 0 0 442.479 2.545 50 0 IFAARN O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000006492131 556091697 /nfs/dbraw/zinc/09/16/97/556091697.db2.gz HJVBLAAZDWCHSP-CQSZACIVSA-N 0 0 438.347 2.561 50 0 IFAARN C[C@@H](OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)NCc1ccccc1Cl ZINC000018591499 556102531 /nfs/dbraw/zinc/10/25/31/556102531.db2.gz AKNNAMUMTGBKGN-CQSZACIVSA-N 0 0 428.872 2.851 50 0 IFAARN O=C1N/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccc(Br)cc1 ZINC000006975262 556112221 /nfs/dbraw/zinc/11/22/21/556112221.db2.gz IOWJQRGPNVETRG-LFIBNONCSA-N 0 0 432.274 2.972 50 0 IFAARN COC(=O)COc1cccc2c1ccn(CC(=O)Nc1ccc(Br)cc1)c2=O ZINC000002712388 556125604 /nfs/dbraw/zinc/12/56/04/556125604.db2.gz QUQNLCUDFBKXHT-UHFFFAOYSA-N 0 0 445.269 2.955 50 0 IFAARN COC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccc(OC)cc1 ZINC000002724076 556127410 /nfs/dbraw/zinc/12/74/10/556127410.db2.gz AERJEWBKMSIVMP-UHFFFAOYSA-N 0 0 426.498 2.779 50 0 IFAARN C[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)NS(=O)(=O)c1ccc(Cl)s1 ZINC000002735471 556135405 /nfs/dbraw/zinc/13/54/05/556135405.db2.gz GYNBNKKPOMXNPB-ZETCQYMHSA-N 0 0 435.401 2.762 50 0 IFAARN COc1ccc2cc([C@@H](C)C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2c1 ZINC000002785427 556138606 /nfs/dbraw/zinc/13/86/06/556138606.db2.gz BTNCAPUGLXFYAU-CQSZACIVSA-N 0 0 442.493 2.781 50 0 IFAARN CCCOC(=O)c1c2c(sc1NC(=O)C1CCN(S(C)(=O)=O)CC1)CCCC2 ZINC000002803877 556142696 /nfs/dbraw/zinc/14/26/96/556142696.db2.gz HWHFGVGALNOCTG-UHFFFAOYSA-N 0 0 428.576 2.804 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000002805208 556143286 /nfs/dbraw/zinc/14/32/86/556143286.db2.gz NAEYCHHFZQWITG-UHFFFAOYSA-N 0 0 430.452 2.560 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000002805084 556143400 /nfs/dbraw/zinc/14/34/00/556143400.db2.gz FFZAISUVSDACTH-UHFFFAOYSA-N 0 0 431.345 2.848 50 0 IFAARN O=C(CNC(=O)COC(=O)COc1ccc2ccccc2c1)Nc1ccc(F)c(F)c1F ZINC000010593296 556150322 /nfs/dbraw/zinc/15/03/22/556150322.db2.gz ZLCDJYNGZBGKPJ-UHFFFAOYSA-N 0 0 446.381 2.934 50 0 IFAARN COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)(=O)C3)cc1OC ZINC000003009315 556155098 /nfs/dbraw/zinc/15/50/98/556155098.db2.gz UXAMVDZMTBZNEW-UHFFFAOYSA-N 0 0 431.445 2.709 50 0 IFAARN COc1ccc(CCNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1OC ZINC000003006014 556156340 /nfs/dbraw/zinc/15/63/40/556156340.db2.gz HNTXHDWHMYPZDI-UHFFFAOYSA-N 0 0 427.888 2.940 50 0 IFAARN O=C(Cn1cc(C(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21)N1CCCCC1 ZINC000003015356 556157932 /nfs/dbraw/zinc/15/79/32/556157932.db2.gz YULZRXSJGMLALF-UHFFFAOYSA-N 0 0 447.491 2.882 50 0 IFAARN COc1ccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1OC ZINC000008396183 556163346 /nfs/dbraw/zinc/16/33/46/556163346.db2.gz MCRYSWLLQVTFKZ-UHFFFAOYSA-N 0 0 430.592 2.652 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)cc1 ZINC000008442018 556177128 /nfs/dbraw/zinc/17/71/28/556177128.db2.gz DLZAUXADFWDGRL-PBHICJAKSA-N 0 0 431.562 2.541 50 0 IFAARN O=c1c(F)cn(C[C@@H]2CC(c3ccccc3)=NO2)c(=O)n1C[C@H]1CC(c2ccccc2)=NO1 ZINC000008636776 556194809 /nfs/dbraw/zinc/19/48/09/556194809.db2.gz KLNWIUUMHFHJPC-RBUKOAKNSA-N 0 0 448.454 2.536 50 0 IFAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000008670633 556198193 /nfs/dbraw/zinc/19/81/93/556198193.db2.gz PWTVWAXQEJCFMY-AWEZNQCLSA-N 0 0 434.518 2.548 50 0 IFAARN COc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2OC)CC1 ZINC000008722883 556203750 /nfs/dbraw/zinc/20/37/50/556203750.db2.gz UEWKPCZAPGTTGO-ROUUACIJSA-N 0 0 442.512 2.609 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000008744953 556208797 /nfs/dbraw/zinc/20/87/97/556208797.db2.gz JRYWMHZDDXKLEU-UHFFFAOYSA-N 0 0 430.482 2.848 50 0 IFAARN Cc1[nH]c(C(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c(C)c1C(=O)OC(C)C ZINC000008745197 556208810 /nfs/dbraw/zinc/20/88/10/556208810.db2.gz JLKBYDZKQMJBIA-ZDUSSCGKSA-N 0 0 430.457 2.960 50 0 IFAARN COc1ccc(C(NC(=O)COc2cccc(-n3cnnn3)c2)c2ccc(OC)cc2)cc1 ZINC000008745380 556209035 /nfs/dbraw/zinc/20/90/35/556209035.db2.gz LIPYFZBKQNCKFT-UHFFFAOYSA-N 0 0 445.479 2.964 50 0 IFAARN Cn1c2nc(NCc3ccc(Cl)cc3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000008774837 556213601 /nfs/dbraw/zinc/21/36/01/556213601.db2.gz FVJRZDXITRSVHN-UHFFFAOYSA-N 0 0 427.867 2.887 50 0 IFAARN Cn1c2nc(N3CCC(Cc4ccccc4)CC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000008775052 556213889 /nfs/dbraw/zinc/21/38/89/556213889.db2.gz JXQWNBPPRDZWPZ-UHFFFAOYSA-N 0 0 443.551 2.941 50 0 IFAARN CCOC(=O)[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@]1(C)O)OCO3 ZINC000008815970 556217385 /nfs/dbraw/zinc/21/73/85/556217385.db2.gz LXOGFILEDJYPBT-SXWKCWPCSA-N 0 0 446.452 2.853 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000008816482 556218106 /nfs/dbraw/zinc/21/81/06/556218106.db2.gz RLXDCESAGPJIBY-MRXNPFEDSA-N 0 0 445.541 2.717 50 0 IFAARN CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n21 ZINC000009008495 556240209 /nfs/dbraw/zinc/24/02/09/556240209.db2.gz IMGSSVNZFGBASN-UBXANZILSA-N 0 0 449.532 2.592 50 0 IFAARN COc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2 ZINC000009045134 556242798 /nfs/dbraw/zinc/24/27/98/556242798.db2.gz COKJVVKMQMFDGJ-ZDUSSCGKSA-N 0 0 448.566 2.805 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000009045272 556242811 /nfs/dbraw/zinc/24/28/11/556242811.db2.gz QTRQDJNDEKAHHF-YWFITGJYSA-N 0 0 438.480 2.556 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000009075469 556245122 /nfs/dbraw/zinc/24/51/22/556245122.db2.gz YSXRGUIBWUOMJG-RDJZCZTQSA-N 0 0 442.269 2.746 50 0 IFAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000009085921 556245489 /nfs/dbraw/zinc/24/54/89/556245489.db2.gz QJWNFAUNTNXNEY-IBGZPJMESA-N 0 0 436.961 2.869 50 0 IFAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000009085922 556245521 /nfs/dbraw/zinc/24/55/21/556245521.db2.gz QJWNFAUNTNXNEY-LJQANCHMSA-N 0 0 436.961 2.869 50 0 IFAARN O=C(NCCCN1CCCC1=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000009134104 556248791 /nfs/dbraw/zinc/24/87/91/556248791.db2.gz GWAUVKRNXHFPRY-IUODEOHRSA-N 0 0 425.411 2.879 50 0 IFAARN CCCCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000009130646 556248888 /nfs/dbraw/zinc/24/88/88/556248888.db2.gz ZSEKTUROXRIWSC-UHFFFAOYSA-N 0 0 429.546 2.527 50 0 IFAARN O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009184096 556250198 /nfs/dbraw/zinc/25/01/98/556250198.db2.gz XMTWSZZUXFWIRN-OAHLLOKOSA-N 0 0 448.545 2.590 50 0 IFAARN CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000009191146 556253845 /nfs/dbraw/zinc/25/38/45/556253845.db2.gz QUSCAFJHLWMLFW-SFHVURJKSA-N 0 0 431.514 2.745 50 0 IFAARN CCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000009191161 556253863 /nfs/dbraw/zinc/25/38/63/556253863.db2.gz YFOAXAVXLUFTNG-INIZCTEOSA-N 0 0 445.541 2.765 50 0 IFAARN CCOC(=O)COc1cc(Br)c(/C=C2/SC(=N)NC2=O)cc1OCC ZINC000009288372 556272703 /nfs/dbraw/zinc/27/27/03/556272703.db2.gz ZVEUMFKPPQKJKJ-AWNIVKPZSA-N 0 0 429.292 2.928 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000009288599 556273098 /nfs/dbraw/zinc/27/30/98/556273098.db2.gz DIQHRDBPYKIZHU-INIZCTEOSA-N 0 0 445.541 2.717 50 0 IFAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)CC2=O)cc1 ZINC000009288734 556273378 /nfs/dbraw/zinc/27/33/78/556273378.db2.gz NKVMEBXJBBUQJV-INIZCTEOSA-N 0 0 440.452 2.650 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000009288694 556273392 /nfs/dbraw/zinc/27/33/92/556273392.db2.gz DOEBUPWMQSDTDF-CQSZACIVSA-N 0 0 433.505 2.894 50 0 IFAARN O=C(NCCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009305028 556276572 /nfs/dbraw/zinc/27/65/72/556276572.db2.gz MECLFYPZIMUJIJ-KRWDZBQOSA-N 0 0 444.582 2.841 50 0 IFAARN COc1ccc(OC)c2c1cc(C(=O)NCCCC(=O)N=c1[nH]c3ccccc3[nH]1)n2C ZINC000013688656 556278305 /nfs/dbraw/zinc/27/83/05/556278305.db2.gz KWFWLOWJIJZZNI-UHFFFAOYSA-N 0 0 435.484 2.642 50 0 IFAARN CCN1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000013689857 556279057 /nfs/dbraw/zinc/27/90/57/556279057.db2.gz JBQWXWBGSIWBCN-UHFFFAOYSA-N 0 0 445.497 2.681 50 0 IFAARN CN1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000013690194 556279276 /nfs/dbraw/zinc/27/92/76/556279276.db2.gz CXUOGSTYJBYGSF-UHFFFAOYSA-N 0 0 447.538 2.759 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(=O)OC)cc4)ccn3n2)cc1 ZINC000009321197 556281134 /nfs/dbraw/zinc/28/11/34/556281134.db2.gz ZKLAQHYKNDGGKP-UHFFFAOYSA-N 0 0 446.463 2.987 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)cc4)ccn3n2)cc1OC ZINC000009327539 556281953 /nfs/dbraw/zinc/28/19/53/556281953.db2.gz CTLIFFVWOWYBJL-UHFFFAOYSA-N 0 0 432.480 2.805 50 0 IFAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 ZINC000013692573 556282323 /nfs/dbraw/zinc/28/23/23/556282323.db2.gz HONHMLFQBHZDMO-AZUAARDMSA-N 0 0 446.551 2.884 50 0 IFAARN COc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCC(C)C)CC3=O)cc2)cc1 ZINC000009329303 556282600 /nfs/dbraw/zinc/28/26/00/556282600.db2.gz MZYXECBYUMYERN-QGZVFWFLSA-N 0 0 439.512 2.838 50 0 IFAARN COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(OC)c(OC)c2)cc1 ZINC000009344369 556283770 /nfs/dbraw/zinc/28/37/70/556283770.db2.gz JQGJDPIJNCHTMK-MSOLQXFVSA-N 0 0 448.566 2.987 50 0 IFAARN COc1ccc(-c2nc(C)c(C(=O)NCCNC(=O)c3ccncc3)s2)cc1OC ZINC000013720363 556289310 /nfs/dbraw/zinc/28/93/10/556289310.db2.gz WYNQPVSIZYYSDJ-UHFFFAOYSA-N 0 0 426.498 2.691 50 0 IFAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 ZINC000009426249 556290196 /nfs/dbraw/zinc/29/01/96/556290196.db2.gz MEQUQAJVQWRJRK-YCFYUYSTSA-N 0 0 447.443 2.619 50 0 IFAARN Cc1c(C)n(-c2cccc(O)c2)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n12 ZINC000013723099 556291239 /nfs/dbraw/zinc/29/12/39/556291239.db2.gz LERKESWJRGWNQL-UHFFFAOYSA-N 0 0 433.443 2.648 50 0 IFAARN C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)N1CCC2(CC1)OCCO2 ZINC000013723512 556291505 /nfs/dbraw/zinc/29/15/05/556291505.db2.gz OFBQGIHKCULTFF-INIZCTEOSA-N 0 0 435.480 2.979 50 0 IFAARN Cn1c(CCNC(=O)[C@H]2COc3ccccc3O2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000013726116 556292837 /nfs/dbraw/zinc/29/28/37/556292837.db2.gz QPCLFTOMHUKTFQ-OAQYLSRUSA-N 0 0 446.463 2.917 50 0 IFAARN COc1cc2cc(C(=O)NCCC(=O)Nc3nc(C)cs3)n(C)c2c(OC)c1OC ZINC000013729564 556294456 /nfs/dbraw/zinc/29/44/56/556294456.db2.gz DCLIXBSHVWIDBK-UHFFFAOYSA-N 0 0 432.502 2.728 50 0 IFAARN CC(C)[C@]1(C)NC(c2nc3ccccc3cc2C(=O)N2CCC3(CC2)OCCO3)=NC1=O ZINC000013729710 556294847 /nfs/dbraw/zinc/29/48/47/556294847.db2.gz ILEABXXYFFKJAZ-QHCPKHFHSA-N 0 0 436.512 2.505 50 0 IFAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NC3Cc4ccccc4C3)cc1O2 ZINC000013735233 556297455 /nfs/dbraw/zinc/29/74/55/556297455.db2.gz FFYLKJDATCIVSD-UHFFFAOYSA-N 0 0 448.519 2.695 50 0 IFAARN O=S(=O)(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000032739196 556299697 /nfs/dbraw/zinc/29/96/97/556299697.db2.gz AQDIWFPZFVFJSK-UHFFFAOYSA-N 0 0 434.583 2.828 50 0 IFAARN CSc1nc2nc(C)c(CCC(=O)N(C)C[C@@H]3COc4ccccc4O3)c(C)n2n1 ZINC000032739248 556299711 /nfs/dbraw/zinc/29/97/11/556299711.db2.gz FTOOSGOROKAIIU-OAHLLOKOSA-N 0 0 427.530 2.694 50 0 IFAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCN(C(C)=O)CC1 ZINC000032740458 556300706 /nfs/dbraw/zinc/30/07/06/556300706.db2.gz OICZAFNQVVGUOQ-KRWDZBQOSA-N 0 0 446.400 2.972 50 0 IFAARN COCCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)cc1 ZINC000009593894 556301499 /nfs/dbraw/zinc/30/14/99/556301499.db2.gz UWVHMCFILZXESM-OALUTQOASA-N 0 0 439.541 2.866 50 0 IFAARN CC(C)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000009613028 556303621 /nfs/dbraw/zinc/30/36/21/556303621.db2.gz ZZPGFQOIQXFLFW-INIZCTEOSA-N 0 0 427.476 2.968 50 0 IFAARN COC(=O)c1ccc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000032741766 556303652 /nfs/dbraw/zinc/30/36/52/556303652.db2.gz DQGKTOUZCAXUEE-ZRRNVASKSA-N 0 0 441.524 2.695 50 0 IFAARN CCOc1ccc(OCCOC(=O)[C@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000032741883 556303770 /nfs/dbraw/zinc/30/37/70/556303770.db2.gz LMGILRNHHOSSLW-LJQANCHMSA-N 0 0 444.509 2.621 50 0 IFAARN Cc1cc(=O)c(C(=O)NCc2nnc3ccccn32)nn1-c1ccccc1C(F)(F)F ZINC000032744747 556304842 /nfs/dbraw/zinc/30/48/42/556304842.db2.gz FKHNHXHHDBPVEK-UHFFFAOYSA-N 0 0 428.374 2.532 50 0 IFAARN CCCCOc1ccc(C(=O)NCC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000032731851 556305270 /nfs/dbraw/zinc/30/52/70/556305270.db2.gz OLBVXHKFWNUPGA-HXUWFJFHSA-N 0 0 445.585 2.847 50 0 IFAARN C[C@H]1CCc2c(sc3ncn(CC(=O)NC[C@@H]4COc5ccccc5O4)c(=O)c32)C1 ZINC000032736384 556306352 /nfs/dbraw/zinc/30/63/52/556306352.db2.gz WXYDNHADYYXZDK-UONOGXRCSA-N 0 0 425.510 2.539 50 0 IFAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(Br)c(C)c3)C2=O)cc1 ZINC000032736628 556306548 /nfs/dbraw/zinc/30/65/48/556306548.db2.gz VBMHCGRALVWGPF-UHFFFAOYSA-N 0 0 446.257 2.700 50 0 IFAARN O=C(NCc1ccccc1)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccs2)CC1 ZINC000032744840 556308765 /nfs/dbraw/zinc/30/87/65/556308765.db2.gz ZFAIIQQKSZYAAX-LJQANCHMSA-N 0 0 425.554 2.908 50 0 IFAARN COc1cc(C(=O)N(Cc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000013786877 556309541 /nfs/dbraw/zinc/30/95/41/556309541.db2.gz NLACMHYFLYZEBK-SFHVURJKSA-N 0 0 433.526 2.850 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCCC[C@H]2C)C1 ZINC000009830772 556311670 /nfs/dbraw/zinc/31/16/70/556311670.db2.gz AITZGEKYOSYEOU-IXDOHACOSA-N 0 0 449.573 2.662 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1F ZINC000009830652 556311674 /nfs/dbraw/zinc/31/16/74/556311674.db2.gz DBHSRSODTSKCPM-UHFFFAOYSA-N 0 0 447.488 2.902 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000013810187 556311920 /nfs/dbraw/zinc/31/19/20/556311920.db2.gz DUBSORMYUKZIFB-YWFITGJYSA-N 0 0 438.505 2.708 50 0 IFAARN COc1cc(NC(=O)[C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc(OC)c1OC ZINC000009856715 556314242 /nfs/dbraw/zinc/31/42/42/556314242.db2.gz WKARRHXOYVSHMR-LJQANCHMSA-N 0 0 446.456 2.870 50 0 IFAARN CCOC(=O)C1C(Cn2cnc3ccc(Cl)cc3c2=O)=NC(=O)N[C@@H]1c1ccccc1 ZINC000032745376 556315270 /nfs/dbraw/zinc/31/52/70/556315270.db2.gz HNWZSDWNLIFDRG-LJQANCHMSA-N 0 0 438.871 2.921 50 0 IFAARN COc1ccc([C@H](CC(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCC4)NC(C)=O)cc1 ZINC000032745427 556315431 /nfs/dbraw/zinc/31/54/31/556315431.db2.gz IXNRMOXUGOKKIW-INIZCTEOSA-N 0 0 441.509 2.793 50 0 IFAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000032747346 556315945 /nfs/dbraw/zinc/31/59/45/556315945.db2.gz YCMXGUCRELEVEG-UHFFFAOYSA-N 0 0 427.265 2.762 50 0 IFAARN COc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000009933435 556317072 /nfs/dbraw/zinc/31/70/72/556317072.db2.gz VTZIHSGPHHTPKK-UHFFFAOYSA-N 0 0 434.492 2.977 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CCOC)c1 ZINC000009934202 556317820 /nfs/dbraw/zinc/31/78/20/556317820.db2.gz BTHLVNQQCCDHNE-IBGZPJMESA-N 0 0 439.468 2.676 50 0 IFAARN CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)N(CC)Cc1ccc2c(c1)OCCO2 ZINC000032759232 556318829 /nfs/dbraw/zinc/31/88/29/556318829.db2.gz YSSSQJJFIVOMMS-UHFFFAOYSA-N 0 0 441.528 2.776 50 0 IFAARN O=C(Nc1ccccc1)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)CC1 ZINC000032759257 556319048 /nfs/dbraw/zinc/31/90/48/556319048.db2.gz LPIWXLRMABKGIB-KRWDZBQOSA-N 0 0 426.542 2.977 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000013847915 556319728 /nfs/dbraw/zinc/31/97/28/556319728.db2.gz IMSNPBPYIBCKND-QAPCUYQASA-N 0 0 425.460 2.726 50 0 IFAARN NS(=O)(=O)Nc1cccc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 ZINC000032754054 556323191 /nfs/dbraw/zinc/32/31/91/556323191.db2.gz XLZWPILFNROIIN-UHFFFAOYSA-N 0 0 436.946 2.938 50 0 IFAARN O=C(c1cccn1Cc1ccccc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000032754593 556323685 /nfs/dbraw/zinc/32/36/85/556323685.db2.gz CVFMIZWNCCMORR-UHFFFAOYSA-N 0 0 433.537 2.564 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@]2(C)CC2(Cl)Cl)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000032754865 556324025 /nfs/dbraw/zinc/32/40/25/556324025.db2.gz BOFZQPQMVMULMU-DYVFJYSZSA-N 0 0 431.272 2.886 50 0 IFAARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)O[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000032776486 556326523 /nfs/dbraw/zinc/32/65/23/556326523.db2.gz NPUHROPIDMXLLJ-DOMZBBRYSA-N 0 0 426.469 2.764 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCCN(c2cnccn2)C1 ZINC000032777459 556329826 /nfs/dbraw/zinc/32/98/26/556329826.db2.gz BHENMNRWDLTSLB-AWEZNQCLSA-N 0 0 432.322 2.519 50 0 IFAARN CCSc1nnc(NC(=O)[C@H]2CCCCN2C2=NS(=O)(=O)c3ccccc32)s1 ZINC000032777939 556331249 /nfs/dbraw/zinc/33/12/49/556331249.db2.gz NNTJSPCVBUGYQC-GFCCVEGCSA-N 0 0 437.572 2.592 50 0 IFAARN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CCN(C)CC1 ZINC000013941786 556338521 /nfs/dbraw/zinc/33/85/21/556338521.db2.gz OTEQIVPPVZOYBK-UHFFFAOYSA-N 0 0 437.949 2.602 50 0 IFAARN CCOC(=O)C1=C(CSc2nnc(N)s2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000011151732 556339394 /nfs/dbraw/zinc/33/93/94/556339394.db2.gz LWCFKQVCWKKRNF-LBPRGKRZSA-N 0 0 425.923 2.737 50 0 IFAARN CCOCCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 ZINC000013944954 556342381 /nfs/dbraw/zinc/34/23/81/556342381.db2.gz QNSONDYNNXSLTI-AWEZNQCLSA-N 0 0 445.520 2.767 50 0 IFAARN NS(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1 ZINC000011691606 556346855 /nfs/dbraw/zinc/34/68/55/556346855.db2.gz NMIRFUKLVZBVPM-UHFFFAOYSA-N 0 0 437.886 2.507 50 0 IFAARN COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O ZINC000013992280 556352767 /nfs/dbraw/zinc/35/27/67/556352767.db2.gz UOFFASMMVYBFLN-UHFFFAOYSA-N 0 0 435.402 2.857 50 0 IFAARN COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CC(Cc3ccc(F)cc3)=NO2)CC1 ZINC000011812819 556356481 /nfs/dbraw/zinc/35/64/81/556356481.db2.gz CSKZJLHGAVJLHT-NRFANRHFSA-N 0 0 425.460 2.506 50 0 IFAARN O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000032795563 556357835 /nfs/dbraw/zinc/35/78/35/556357835.db2.gz QBAUKKCSJRHHDR-UHFFFAOYSA-N 0 0 442.947 2.844 50 0 IFAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCN3CCCCO3)C2)c(OC)c1 ZINC000011814931 556357859 /nfs/dbraw/zinc/35/78/59/556357859.db2.gz DQDXTNLPVSVKGL-LJQANCHMSA-N 0 0 447.576 2.756 50 0 IFAARN O=C([C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCC(c2nnc3ccccn32)CC1 ZINC000032795848 556358233 /nfs/dbraw/zinc/35/82/33/556358233.db2.gz ZOXHYIAMFODKAW-FQEVSTJZSA-N 0 0 429.524 2.977 50 0 IFAARN CCCc1cc(CN(C)Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)[nH]n1 ZINC000011819590 556361609 /nfs/dbraw/zinc/36/16/09/556361609.db2.gz LTBFCOJAYVMIAK-GASCZTMLSA-N 0 0 430.578 2.953 50 0 IFAARN CCN(C(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000032797214 556363544 /nfs/dbraw/zinc/36/35/44/556363544.db2.gz JACBJQUJVSKVKD-NVXWUHKLSA-N 0 0 435.615 2.900 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1OC ZINC000032797361 556364012 /nfs/dbraw/zinc/36/40/12/556364012.db2.gz JENHPCLMGXMUQO-SFHVURJKSA-N 0 0 441.576 2.753 50 0 IFAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 ZINC000014094701 556366552 /nfs/dbraw/zinc/36/65/52/556366552.db2.gz RAVULOIOQTWILU-QHCPKHFHSA-N 0 0 440.475 2.713 50 0 IFAARN COCCN(Cc1nnc(-c2cccs2)o1)[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000014094987 556366842 /nfs/dbraw/zinc/36/68/42/556366842.db2.gz NOAFFFTVBTZHKR-FQEVSTJZSA-N 0 0 442.541 2.847 50 0 IFAARN COCCN(Cc1nnc(-c2cccs2)o1)[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000014094986 556366854 /nfs/dbraw/zinc/36/68/54/556366854.db2.gz NOAFFFTVBTZHKR-HXUWFJFHSA-N 0 0 442.541 2.847 50 0 IFAARN C[C@H](NC(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1ccco1 ZINC000014109156 556368848 /nfs/dbraw/zinc/36/88/48/556368848.db2.gz HGBXRICAMFVROM-INIZCTEOSA-N 0 0 427.530 2.726 50 0 IFAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 ZINC000014117812 556371191 /nfs/dbraw/zinc/37/11/91/556371191.db2.gz KLJOETQJBDXRLM-XMMPIXPASA-N 0 0 434.496 2.501 50 0 IFAARN COc1ccc(C[C@]2(CCC(=O)N[C@H]3CCCCNC3=O)CCC(=O)N2)c2ccccc12 ZINC000011882423 556373662 /nfs/dbraw/zinc/37/36/62/556373662.db2.gz QECPEPWPAMNIJF-CPJSRVTESA-N 0 0 437.540 2.605 50 0 IFAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000014129553 556374478 /nfs/dbraw/zinc/37/44/78/556374478.db2.gz VPCQYHPSBHPMDJ-UHFFFAOYSA-N 0 0 449.617 2.626 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000014136795 556375435 /nfs/dbraw/zinc/37/54/35/556375435.db2.gz MTWATUVKNNGBBA-QFIPXVFZSA-N 0 0 438.509 2.597 50 0 IFAARN COCCN(C(=O)C[C@]1(c2ccccc2C)CC(=O)N(Cc2cccnc2)C1=O)C(C)C ZINC000011912446 556375606 /nfs/dbraw/zinc/37/56/06/556375606.db2.gz GFEWICGDKADFOV-RUZDIDTESA-N 0 0 437.540 2.860 50 0 IFAARN CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)C2=O)cc1 ZINC000014140418 556376427 /nfs/dbraw/zinc/37/64/27/556376427.db2.gz FSSVFRNDFVWRCS-XMMPIXPASA-N 0 0 436.512 2.747 50 0 IFAARN CN(Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1)Cc1nc2ccccc2[nH]1 ZINC000011935319 556378404 /nfs/dbraw/zinc/37/84/04/556378404.db2.gz VDZOCCWLAJTRIL-SFHVURJKSA-N 0 0 443.573 2.754 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000014162050 556378650 /nfs/dbraw/zinc/37/86/50/556378650.db2.gz SXEOVLNXWCYPKW-FQEVSTJZSA-N 0 0 449.294 2.759 50 0 IFAARN C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O ZINC000014162059 556378705 /nfs/dbraw/zinc/37/87/05/556378705.db2.gz KFHVFWQXMCCTCR-XMMPIXPASA-N 0 0 446.463 2.965 50 0 IFAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O ZINC000014163533 556379077 /nfs/dbraw/zinc/37/90/77/556379077.db2.gz ABCSOJCKOMWSJQ-XMMPIXPASA-N 0 0 434.496 2.999 50 0 IFAARN C[C@H]1Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)cc2NC1=O ZINC000014162677 556379115 /nfs/dbraw/zinc/37/91/15/556379115.db2.gz HIHIEDCNZVQXPS-CYBMUJFWSA-N 0 0 441.465 2.730 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1C(=O)C(=O)N(C3CC3)C1=O)CC2 ZINC000014169525 556380979 /nfs/dbraw/zinc/38/09/79/556380979.db2.gz ANRWEYBWOAMUHG-OAQYLSRUSA-N 0 0 435.480 2.562 50 0 IFAARN CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)C2=C(C)OCCO2)CC1)c1ccccc1 ZINC000011957580 556381124 /nfs/dbraw/zinc/38/11/24/556381124.db2.gz NMCQUBIXOULWRU-NRFANRHFSA-N 0 0 440.500 2.651 50 0 IFAARN CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc2ccc(F)cc2)cc1 ZINC000014170526 556381227 /nfs/dbraw/zinc/38/12/27/556381227.db2.gz WSFWBWXTZURHQU-FQEVSTJZSA-N 0 0 448.560 2.973 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(Br)c2)cc1 ZINC000014180947 556382244 /nfs/dbraw/zinc/38/22/44/556382244.db2.gz LXTHTHTYSJPQBW-UHFFFAOYSA-N 0 0 440.319 2.715 50 0 IFAARN CCC(CC)C(=O)N1CCc2c(C(=O)N[C@H](C)c3ccco3)c(OC)cc(=O)n2CC1 ZINC000011970540 556382571 /nfs/dbraw/zinc/38/25/71/556382571.db2.gz ZXOZGDWKOQFCPZ-OAHLLOKOSA-N 0 0 429.517 2.762 50 0 IFAARN CCOC(=O)C[C@H]1COCCN1C(=O)CCc1nnc(CCCCc2ccccc2)o1 ZINC000011999570 556385584 /nfs/dbraw/zinc/38/55/84/556385584.db2.gz OMOQDXRZZDYZQX-IBGZPJMESA-N 0 0 429.517 2.748 50 0 IFAARN COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](CNC(=O)CCNC(C)=O)C3)cc1 ZINC000012034840 556389557 /nfs/dbraw/zinc/38/95/57/556389557.db2.gz KPZUAMPPXOOAES-SFHVURJKSA-N 0 0 430.888 2.740 50 0 IFAARN COCCCN1C(=O)C[C@](CC(=O)N[C@H](C)Cc2ccsc2)(c2ccccc2)C1=O ZINC000012041083 556391082 /nfs/dbraw/zinc/39/10/82/556391082.db2.gz NCAFGUAKUPOHFQ-UZUQRXQVSA-N 0 0 428.554 2.919 50 0 IFAARN CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2)C(C)C ZINC000012041747 556391159 /nfs/dbraw/zinc/39/11/59/556391159.db2.gz ZWRPVSVENROUBN-HXUWFJFHSA-N 0 0 433.940 2.942 50 0 IFAARN Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000014201830 556392419 /nfs/dbraw/zinc/39/24/19/556392419.db2.gz NOXGWPYPRZZNRM-UHFFFAOYSA-N 0 0 426.510 2.898 50 0 IFAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1ccc(Br)s1 ZINC000014210478 556393072 /nfs/dbraw/zinc/39/30/72/556393072.db2.gz CSHCCDJTZFUKOG-UHFFFAOYSA-N 0 0 433.349 2.999 50 0 IFAARN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000032810426 556396737 /nfs/dbraw/zinc/39/67/37/556396737.db2.gz AEQGDJJFFYDSMH-UHFFFAOYSA-N 0 0 441.553 2.783 50 0 IFAARN C[C@@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014230263 556397084 /nfs/dbraw/zinc/39/70/84/556397084.db2.gz RQICSZYDCOEIMX-SECBINFHSA-N 0 0 435.786 2.561 50 0 IFAARN COc1ccccc1CNc1nc(-c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)cs1 ZINC000014240420 556400902 /nfs/dbraw/zinc/40/09/02/556400902.db2.gz ZKJAVIBIZDSING-UHFFFAOYSA-N 0 0 449.536 2.922 50 0 IFAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000014240534 556401143 /nfs/dbraw/zinc/40/11/43/556401143.db2.gz DYLCWZCPQHGRSA-KRWDZBQOSA-N 0 0 439.541 2.545 50 0 IFAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000014241331 556401742 /nfs/dbraw/zinc/40/17/42/556401742.db2.gz ILDSVHKPTBZSJZ-LJQANCHMSA-N 0 0 441.553 2.962 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000014242843 556403422 /nfs/dbraw/zinc/40/34/22/556403422.db2.gz AHXAFGZPDGRFGY-MJGOQNOKSA-N 0 0 425.554 2.985 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000014242841 556403448 /nfs/dbraw/zinc/40/34/48/556403448.db2.gz AHXAFGZPDGRFGY-IEBWSBKVSA-N 0 0 425.554 2.985 50 0 IFAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)O[C@@H](C)C(=O)Nc1ncnc2[nH]cnc21 ZINC000014244153 556403803 /nfs/dbraw/zinc/40/38/03/556403803.db2.gz KYAWRBDNWQAKMB-NSHDSACASA-N 0 0 434.460 2.740 50 0 IFAARN COc1ccccc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000014244295 556403938 /nfs/dbraw/zinc/40/39/38/556403938.db2.gz QTXQWRNWSODHMR-IXDOHACOSA-N 0 0 432.542 2.984 50 0 IFAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(C(=O)c2cccs2)CC1 ZINC000014244625 556404467 /nfs/dbraw/zinc/40/44/67/556404467.db2.gz PPQMALTYRBYWHX-GOSISDBHSA-N 0 0 441.553 2.641 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014245899 556405694 /nfs/dbraw/zinc/40/56/94/556405694.db2.gz ICDLCBRTZITLKZ-UHFFFAOYSA-N 0 0 443.569 2.801 50 0 IFAARN CNC(=O)c1ccc(CN(C)Cn2nc([C@H]3COc4ccccc4O3)n(C)c2=S)cc1 ZINC000014246921 556406852 /nfs/dbraw/zinc/40/68/52/556406852.db2.gz QWRQMLZUIBZYDU-LJQANCHMSA-N 0 0 439.541 2.913 50 0 IFAARN O=S1(=O)CC[C@@H](N(Cc2cccc(F)c2)C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000032594250 556407659 /nfs/dbraw/zinc/40/76/59/556407659.db2.gz KKDTWOFEPUNPTQ-MOPGFXCFSA-N 0 0 427.925 2.908 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1)N1CCCCC1 ZINC000032823645 556408373 /nfs/dbraw/zinc/40/83/73/556408373.db2.gz OIXAWFXVNPRHSG-UHFFFAOYSA-N 0 0 429.492 2.768 50 0 IFAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000032824113 556408766 /nfs/dbraw/zinc/40/87/66/556408766.db2.gz RPQKOBDFKQSZFK-GFCCVEGCSA-N 0 0 447.904 2.633 50 0 IFAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000032824115 556408828 /nfs/dbraw/zinc/40/88/28/556408828.db2.gz RPQKOBDFKQSZFK-LBPRGKRZSA-N 0 0 447.904 2.633 50 0 IFAARN COc1cc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1OC(F)F ZINC000014251885 556409332 /nfs/dbraw/zinc/40/93/32/556409332.db2.gz GJXAMIMSGWEJEX-UHFFFAOYSA-N 0 0 426.485 2.944 50 0 IFAARN CN(Cc1nc2ccccc2[nH]1)C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000032626967 556409403 /nfs/dbraw/zinc/40/94/03/556409403.db2.gz QWMGHEXMGRWAAZ-UHFFFAOYSA-N 0 0 429.274 2.709 50 0 IFAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@@H](O)COc2cccc3ccccc32)C1=O ZINC000014252288 556409624 /nfs/dbraw/zinc/40/96/24/556409624.db2.gz KSUHBKILNBSIML-CJAUYULYSA-N 0 0 448.475 2.818 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)NC3CCCC3)CC2)cc1C ZINC000014253789 556410149 /nfs/dbraw/zinc/41/01/49/556410149.db2.gz NSJHCYQMDHIITF-QGZVFWFLSA-N 0 0 436.574 2.695 50 0 IFAARN COCCCN(C(=O)CC12CC3CC(CC(C3)C1)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000014254795 556410386 /nfs/dbraw/zinc/41/03/86/556410386.db2.gz WGQQTOMTYYGYNB-UHFFFAOYSA-N 0 0 446.592 2.751 50 0 IFAARN CS(=O)(=O)N1CCN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 ZINC000032819251 556411988 /nfs/dbraw/zinc/41/19/88/556411988.db2.gz WYMHXQUPZGPFIN-UHFFFAOYSA-N 0 0 430.555 2.573 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)c(OC)c1 ZINC000032820708 556412443 /nfs/dbraw/zinc/41/24/43/556412443.db2.gz VHZMRKBOVCRCCD-KDOFPFPSSA-N 0 0 436.505 2.873 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-n4cccc4)ccc3F)CC2)cc1 ZINC000032646424 556412479 /nfs/dbraw/zinc/41/24/79/556412479.db2.gz VWOJNLBFXCRESE-UHFFFAOYSA-N 0 0 443.500 2.772 50 0 IFAARN COc1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)cc3F)C2=O)cc(OC)c1OC ZINC000032828822 556413350 /nfs/dbraw/zinc/41/33/50/556413350.db2.gz CNHJDUYTWHBSHP-JOCHJYFZSA-N 0 0 445.447 2.566 50 0 IFAARN Cc1c(-c2ccccc2)sc(NC(=O)c2ccc(=O)n(C)n2)c1C(=O)N1CCOCC1 ZINC000014389494 556415389 /nfs/dbraw/zinc/41/53/89/556415389.db2.gz MOCQRWKXFSEJTN-UHFFFAOYSA-N 0 0 438.509 2.542 50 0 IFAARN CCNC(=O)C1CCN(c2cnn(CCOc3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000032829728 556416480 /nfs/dbraw/zinc/41/64/80/556416480.db2.gz PCNMBZBRQNMBTB-UHFFFAOYSA-N 0 0 439.343 2.982 50 0 IFAARN CS(=O)(=O)Cc1ccc(C(=O)O[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)cc1 ZINC000032667901 556417894 /nfs/dbraw/zinc/41/78/94/556417894.db2.gz UAJFOTYVKDVKAC-LJQANCHMSA-N 0 0 447.484 2.749 50 0 IFAARN CS(=O)(=O)Cc1ccc(C(=O)O[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)cc1 ZINC000032667902 556417951 /nfs/dbraw/zinc/41/79/51/556417951.db2.gz UAJFOTYVKDVKAC-IBGZPJMESA-N 0 0 447.484 2.749 50 0 IFAARN CCCCn1c2nc(-c3cc(Br)c(O)c(OC)c3)n(CC)c2c(=O)[nH]c1=O ZINC000032668280 556418160 /nfs/dbraw/zinc/41/81/60/556418160.db2.gz DJZPKNQZJSTGJQ-UHFFFAOYSA-N 0 0 437.294 2.850 50 0 IFAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000032668408 556418261 /nfs/dbraw/zinc/41/82/61/556418261.db2.gz CBKOXNNZOZDDOO-HNNXBMFYSA-N 0 0 440.481 2.752 50 0 IFAARN COc1cc(Cl)ccc1C(=O)N1CCN(c2nc(CN3CCOCC3)cs2)CC1 ZINC000065200695 556419318 /nfs/dbraw/zinc/41/93/18/556419318.db2.gz ANDBEWDKRNHXLU-UHFFFAOYSA-N 0 0 436.965 2.600 50 0 IFAARN CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)CC(=O)Nc1ccccc1Cl ZINC000012974003 556419894 /nfs/dbraw/zinc/41/98/94/556419894.db2.gz IEPPEFCQRZMDAB-UHFFFAOYSA-N 0 0 434.949 2.888 50 0 IFAARN COCc1ccc(C(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccn3)C2)s1 ZINC000014532958 556421542 /nfs/dbraw/zinc/42/15/42/556421542.db2.gz WZERCZQXTVQRJF-GOSISDBHSA-N 0 0 431.558 2.815 50 0 IFAARN CC[C@H](C(=O)Nc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012978987 556423313 /nfs/dbraw/zinc/42/33/13/556423313.db2.gz JOPQHAKSDYGOQN-JOCHJYFZSA-N 0 0 427.570 2.899 50 0 IFAARN COc1cccc(CN2CCc3c(c(C(=O)N[C@H](C)c4ccccc4)nn3CCO)C2)c1 ZINC000014535861 556423415 /nfs/dbraw/zinc/42/34/15/556423415.db2.gz ZAQKEVMYZYGPNL-GOSISDBHSA-N 0 0 434.540 2.933 50 0 IFAARN COc1cccc(CN2CCc3c(c(C(=O)N[C@@H](C)c4ccccc4)nn3CCO)C2)c1 ZINC000014535860 556423500 /nfs/dbraw/zinc/42/35/00/556423500.db2.gz ZAQKEVMYZYGPNL-SFHVURJKSA-N 0 0 434.540 2.933 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000012979972 556423796 /nfs/dbraw/zinc/42/37/96/556423796.db2.gz JAMZFDZOBDTTCK-LBPRGKRZSA-N 0 0 435.933 2.728 50 0 IFAARN COc1cccc(CN2C[C@@H](OCC3CC3)CN(C(=O)C(=O)c3ccccc3)CC2=O)c1 ZINC000014538685 556424627 /nfs/dbraw/zinc/42/46/27/556424627.db2.gz QENJDZWDYRVUAU-JOCHJYFZSA-N 0 0 436.508 2.544 50 0 IFAARN CC[C@H](C)CNc1cc(C(=O)NCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014540418 556425277 /nfs/dbraw/zinc/42/52/77/556425277.db2.gz HHYVEJFZWMOOBG-KRWDZBQOSA-N 0 0 433.578 2.556 50 0 IFAARN COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(Cc3cc[nH]n3)CC2=O)cc1 ZINC000014541853 556425944 /nfs/dbraw/zinc/42/59/44/556425944.db2.gz MESMFSITQHDZFD-JOCHJYFZSA-N 0 0 438.503 2.987 50 0 IFAARN O=C(c1cc(C2CC2)n[nH]1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccn2)C1 ZINC000014542868 556426486 /nfs/dbraw/zinc/42/64/86/556426486.db2.gz FPLGQZQBLCUFCI-HXUWFJFHSA-N 0 0 437.544 2.885 50 0 IFAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cnn1-c1ccccc1 ZINC000012985636 556426577 /nfs/dbraw/zinc/42/65/77/556426577.db2.gz JBSBOSHDLNITBI-UHFFFAOYSA-N 0 0 438.553 2.944 50 0 IFAARN CCOC(=O)C1C(Cn2cnc3cc(Cl)ccc3c2=O)=NC(=O)N[C@H]1c1ccccc1 ZINC000032841193 556427072 /nfs/dbraw/zinc/42/70/72/556427072.db2.gz WMQNSOJKZAWEHE-IBGZPJMESA-N 0 0 438.871 2.921 50 0 IFAARN COc1cc(COC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)ccc1OC(F)F ZINC000012988701 556427915 /nfs/dbraw/zinc/42/79/15/556427915.db2.gz RNQRIPLLQCDTAL-JOCHJYFZSA-N 0 0 446.406 2.949 50 0 IFAARN Cc1ccc(Cl)c(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c1Cl ZINC000012991616 556428703 /nfs/dbraw/zinc/42/87/03/556428703.db2.gz NITWBUHJICGQLZ-UHFFFAOYSA-N 0 0 444.340 2.887 50 0 IFAARN CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)s1 ZINC000032843972 556428897 /nfs/dbraw/zinc/42/88/97/556428897.db2.gz ISMYTEITACEJOM-QGZVFWFLSA-N 0 0 438.962 2.839 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1)NC1CC1 ZINC000012993096 556429186 /nfs/dbraw/zinc/42/91/86/556429186.db2.gz YRYJXSAYZPGUNN-UHFFFAOYSA-N 0 0 427.932 2.955 50 0 IFAARN COc1ccc([C@H]2CCCCCN2C(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000012994444 556429979 /nfs/dbraw/zinc/42/99/79/556429979.db2.gz PDMIFVBTTIJDLR-LJQANCHMSA-N 0 0 427.526 2.878 50 0 IFAARN O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1 ZINC000012995305 556430522 /nfs/dbraw/zinc/43/05/22/556430522.db2.gz RVMHZVWBDDDDGT-HNNXBMFYSA-N 0 0 427.320 2.670 50 0 IFAARN Cc1cc(C)c(NC(=O)CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c(C)c1 ZINC000012995284 556430534 /nfs/dbraw/zinc/43/05/34/556430534.db2.gz MWSUKIXERXWWHR-MRXNPFEDSA-N 0 0 429.542 2.691 50 0 IFAARN CCc1ccc(NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)cc1 ZINC000012995269 556430542 /nfs/dbraw/zinc/43/05/42/556430542.db2.gz YEKRUCZOFNPQMQ-UHFFFAOYSA-N 0 0 443.525 2.970 50 0 IFAARN COC(=O)c1occc1COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000032848644 556430828 /nfs/dbraw/zinc/43/08/28/556430828.db2.gz DCGBEBMOOVHJJS-OAHLLOKOSA-N 0 0 429.878 2.766 50 0 IFAARN O=C(CSc1nncn1-c1ccccc1F)NCC1(N2CCOCC2)CCCCC1 ZINC000014641059 556431180 /nfs/dbraw/zinc/43/11/80/556431180.db2.gz HKHHBDLOTDMZNR-UHFFFAOYSA-N 0 0 433.553 2.650 50 0 IFAARN CNS(=O)(=O)c1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012997252 556431869 /nfs/dbraw/zinc/43/18/69/556431869.db2.gz ZHBRHNBKSUNFKN-UHFFFAOYSA-N 0 0 433.574 2.646 50 0 IFAARN C[C@H]1CCN(C(=O)COC(=O)c2cccnc2N2CCOCC2)c2ccccc2S1 ZINC000027806528 556433097 /nfs/dbraw/zinc/43/30/97/556433097.db2.gz HNRVLCWDLQAJRW-INIZCTEOSA-N 0 0 427.526 2.993 50 0 IFAARN CN(C[C@H]1COc2ccccc2O1)C(=O)COC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000027823759 556433546 /nfs/dbraw/zinc/43/35/46/556433546.db2.gz AQLUKWWBXDFUOK-AWEZNQCLSA-N 0 0 433.844 2.566 50 0 IFAARN COC(=O)c1sccc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000032857996 556434193 /nfs/dbraw/zinc/43/41/93/556434193.db2.gz IOPOEOYBMIFOBB-GOSISDBHSA-N 0 0 443.525 2.753 50 0 IFAARN Cc1cc(NC(=O)CN2C(=O)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)n(-c2ccc(F)cc2)n1 ZINC000032858174 556434449 /nfs/dbraw/zinc/43/44/49/556434449.db2.gz UVIOWGKRUULCFO-DYVFJYSZSA-N 0 0 441.463 2.628 50 0 IFAARN Cc1c(O)ccc2c(CN3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc(=O)oc12 ZINC000013004658 556434546 /nfs/dbraw/zinc/43/45/46/556434546.db2.gz FGYLTLWKQUNCEM-UHFFFAOYSA-N 0 0 446.500 2.843 50 0 IFAARN Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1C ZINC000032850722 556435945 /nfs/dbraw/zinc/43/59/45/556435945.db2.gz LMCHLBAMZWBMDG-MRXNPFEDSA-N 0 0 433.505 2.581 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccc(C)cn3c(=O)n1)CCC2 ZINC000011025925 556436327 /nfs/dbraw/zinc/43/63/27/556436327.db2.gz QQIVZXLTVPGOHG-UHFFFAOYSA-N 0 0 444.538 2.856 50 0 IFAARN COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2ccncc2)C3)cc1 ZINC000014732770 556437199 /nfs/dbraw/zinc/43/71/99/556437199.db2.gz KZCOBCYAHJHKDS-UHFFFAOYSA-N 0 0 445.523 2.620 50 0 IFAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013018181 556438967 /nfs/dbraw/zinc/43/89/67/556438967.db2.gz VGIPIGOYANGSKI-UHFFFAOYSA-N 0 0 431.905 2.958 50 0 IFAARN Cn1c(=O)c2cc(C(=O)N[C@@H](c3cc4ccccc4o3)c3ccccc3)cnc2n(C)c1=O ZINC000013020431 556439650 /nfs/dbraw/zinc/43/96/50/556439650.db2.gz OZQLXJACNWURSB-OAQYLSRUSA-N 0 0 440.459 2.898 50 0 IFAARN Cc1nc(CN(C)[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cs1 ZINC000014746217 556441156 /nfs/dbraw/zinc/44/11/56/556441156.db2.gz XVXBKHLSTLIZPC-GOSISDBHSA-N 0 0 431.606 2.766 50 0 IFAARN COc1cc(CN2CC(=O)N(CC(C)C)C[C@H](OCc3cccnc3)C2)cc2c1OCO2 ZINC000014747007 556441555 /nfs/dbraw/zinc/44/15/55/556441555.db2.gz HSDKCNHRMOOHEI-HXUWFJFHSA-N 0 0 441.528 2.705 50 0 IFAARN CCc1cc2c(CN3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc(=O)oc2cc1O ZINC000013031765 556442917 /nfs/dbraw/zinc/44/29/17/556442917.db2.gz ZALYENIFYLBCTC-UHFFFAOYSA-N 0 0 442.537 2.709 50 0 IFAARN CC(C)(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N1CCc2ccccc2C1 ZINC000028059953 556443339 /nfs/dbraw/zinc/44/33/39/556443339.db2.gz QYDILFMBNUWGPD-UHFFFAOYSA-N 0 0 427.570 2.929 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)c3cccs3)CC2)cc1 ZINC000013037922 556443505 /nfs/dbraw/zinc/44/35/05/556443505.db2.gz RMCYMCVLRLMSHS-QGZVFWFLSA-N 0 0 435.615 2.884 50 0 IFAARN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014752201 556443702 /nfs/dbraw/zinc/44/37/02/556443702.db2.gz JBCIEEHGOJCOTN-UHFFFAOYSA-N 0 0 449.551 2.805 50 0 IFAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3ccc4nncn4n3)CC2)c(OC)c1 ZINC000028107891 556443929 /nfs/dbraw/zinc/44/39/29/556443929.db2.gz CHUBOAGUTMAQII-IBGZPJMESA-N 0 0 436.516 2.722 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cnc2sccn2c1=O ZINC000014753780 556444383 /nfs/dbraw/zinc/44/43/83/556444383.db2.gz WPBYCLLHKRQVMF-UHFFFAOYSA-N 0 0 444.513 2.642 50 0 IFAARN CCCCn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1OC)c(=O)n2CCCC ZINC000013039073 556444695 /nfs/dbraw/zinc/44/46/95/556444695.db2.gz FBSVKWNJOAINDD-UHFFFAOYSA-N 0 0 427.505 2.607 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)c1C ZINC000013038992 556444773 /nfs/dbraw/zinc/44/47/73/556444773.db2.gz RHHARKFGKDBQIR-HNNXBMFYSA-N 0 0 442.468 2.596 50 0 IFAARN Cc1csc(NC(=O)COC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)n1 ZINC000014760423 556445144 /nfs/dbraw/zinc/44/51/44/556445144.db2.gz KSPSEFGCNJSFRC-QMMMGPOBSA-N 0 0 442.280 2.925 50 0 IFAARN CCCCn1c2ncn(Cc3ccco3)c2c(=O)n(CC(=O)Nc2cccc(C)c2)c1=O ZINC000013040220 556445825 /nfs/dbraw/zinc/44/58/25/556445825.db2.gz YMPZISLHLTZTDO-UHFFFAOYSA-N 0 0 435.484 2.748 50 0 IFAARN O=C(NCc1ccccc1Cn1ccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000032859996 556446568 /nfs/dbraw/zinc/44/65/68/556446568.db2.gz PWGUDEOJGXKHOY-UHFFFAOYSA-N 0 0 444.582 2.710 50 0 IFAARN C[C@@H](C(=O)Nc1c(F)cccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000032860153 556446985 /nfs/dbraw/zinc/44/69/85/556446985.db2.gz YVDWXQRHZMPDLV-KGLIPLIRSA-N 0 0 430.455 2.988 50 0 IFAARN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000032868815 556449589 /nfs/dbraw/zinc/44/95/89/556449589.db2.gz OOHMRJKZRWRISS-OAHLLOKOSA-N 0 0 425.514 2.507 50 0 IFAARN CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)CC1 ZINC000032865911 556451394 /nfs/dbraw/zinc/45/13/94/556451394.db2.gz OKOUDRIZMRXKJA-KRWDZBQOSA-N 0 0 433.574 2.683 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2)C1 ZINC000013063911 556452297 /nfs/dbraw/zinc/45/22/97/556452297.db2.gz WTADAIOXZGONIQ-IRXDYDNUSA-N 0 0 433.574 2.837 50 0 IFAARN CCC(=O)[C@H]1CCCN(C(=O)CC[C@]2(Cc3ccc(OC)c(OC)c3)CCC(=O)N2)C1 ZINC000014879578 556452819 /nfs/dbraw/zinc/45/28/19/556452819.db2.gz QBVFVJBCVSLFFZ-UUOWRZLLSA-N 0 0 430.545 2.893 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(-c4ccccc4)n(C)c3=S)CC2)cc1 ZINC000013071860 556453858 /nfs/dbraw/zinc/45/38/58/556453858.db2.gz AWRITASEQYMZAK-UHFFFAOYSA-N 0 0 443.598 2.891 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc(-n3cnnn3)cc2)cc1 ZINC000013072543 556454090 /nfs/dbraw/zinc/45/40/90/556454090.db2.gz ZRBOTTFBAJQZAU-UHFFFAOYSA-N 0 0 435.465 2.707 50 0 IFAARN C[C@@H](c1ccc2c(c1)OCCCO2)N(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C1CC1 ZINC000072274683 556454331 /nfs/dbraw/zinc/45/43/31/556454331.db2.gz ZEJWSNKLFPCMHR-LFVRLGFBSA-N 0 0 427.501 2.620 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000013073673 556454688 /nfs/dbraw/zinc/45/46/88/556454688.db2.gz CTPRGYJVBRVJLR-HNNXBMFYSA-N 0 0 442.468 2.596 50 0 IFAARN COc1ccc(C[C@]2(CCC(=O)NC[C@@H](C)Oc3cccnc3)CCC(=O)N2)c(F)c1 ZINC000014887587 556455837 /nfs/dbraw/zinc/45/58/37/556455837.db2.gz AMGZZQKVDZXPOP-MWTRTKDXSA-N 0 0 429.492 2.785 50 0 IFAARN CCN1C(=O)C[C@@](CC(=O)N2CCC(OC)CC2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000014887734 556455841 /nfs/dbraw/zinc/45/58/41/556455841.db2.gz CGQGLEGAHMRKSR-FQEVSTJZSA-N 0 0 426.435 2.750 50 0 IFAARN CCOC(=O)C1=C(CSc2nncn2Cc2ccco2)NC(=O)N[C@H]1c1cccs1 ZINC000032869310 556457624 /nfs/dbraw/zinc/45/76/24/556457624.db2.gz FIBHQJJXJPXKPR-INIZCTEOSA-N 0 0 445.526 2.944 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000013097283 556457867 /nfs/dbraw/zinc/45/78/67/556457867.db2.gz KJSIICPQDQFXPP-UHFFFAOYSA-N 0 0 447.601 2.726 50 0 IFAARN O=C(c1cccc2ccccc21)N1CCC[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000028645714 556458086 /nfs/dbraw/zinc/45/80/86/556458086.db2.gz DJERBQXDUZIDHB-HXUWFJFHSA-N 0 0 429.524 2.831 50 0 IFAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000014937653 556459057 /nfs/dbraw/zinc/45/90/57/556459057.db2.gz LDQRADOYYQZXCI-UHFFFAOYSA-N 0 0 433.917 2.783 50 0 IFAARN COc1ccc(C)cc1NC(=O)CN1CCNC(=O)[C@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000028721356 556459320 /nfs/dbraw/zinc/45/93/20/556459320.db2.gz YQFKUEXLFDWSOB-XMMPIXPASA-N 0 0 447.539 2.918 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)N1CCc2ccccc21 ZINC000028721443 556459446 /nfs/dbraw/zinc/45/94/46/556459446.db2.gz YJXURVKWOHXRBS-DEOSSOPVSA-N 0 0 429.524 2.551 50 0 IFAARN CCCN(CC(=O)NCc1ccc2c(c1)OCO2)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000013099068 556459846 /nfs/dbraw/zinc/45/98/46/556459846.db2.gz SMNQCADVLFRHRN-UHFFFAOYSA-N 0 0 442.903 2.834 50 0 IFAARN CCOc1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1S(=O)(=O)N1CCCC1 ZINC000013102100 556461031 /nfs/dbraw/zinc/46/10/31/556461031.db2.gz YWEPBDHRFSIZNE-UHFFFAOYSA-N 0 0 446.451 2.724 50 0 IFAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC3CCCCCC3)N(C/C=C/c3ccco3)C2)nn1 ZINC000014952265 556461211 /nfs/dbraw/zinc/46/12/11/556461211.db2.gz KXYVTUNNCLIBKL-MNVLBWLKSA-N 0 0 441.532 2.826 50 0 IFAARN Cc1ccc(SC2CCN(C(=O)[C@@H]3CCC(=O)N(CCN4CCOCC4)C3)CC2)cc1 ZINC000014956161 556462233 /nfs/dbraw/zinc/46/22/33/556462233.db2.gz CLLJJWKGNRQSOD-HXUWFJFHSA-N 0 0 445.629 2.649 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nc(C)c(CC(N)=O)s2)c1 ZINC000032871368 556462366 /nfs/dbraw/zinc/46/23/66/556462366.db2.gz HPKXUBBJYNTEAT-HNNXBMFYSA-N 0 0 435.571 2.952 50 0 IFAARN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)Cc2cnc3ncnn3c2)C1 ZINC000014958729 556463427 /nfs/dbraw/zinc/46/34/27/556463427.db2.gz VNSPUNWCRROIOL-JOCHJYFZSA-N 0 0 441.919 2.735 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)Nc3ccccc3)CC1)O[C@@H](C)C(=O)N2 ZINC000032959054 556463391 /nfs/dbraw/zinc/46/33/91/556463391.db2.gz CDHMWQURCJFSMF-HNNXBMFYSA-N 0 0 443.525 2.754 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)c(C)cc2NC1=O ZINC000032959077 556463774 /nfs/dbraw/zinc/46/37/74/556463774.db2.gz VZYFWSNRERNHRM-GOSISDBHSA-N 0 0 449.573 2.564 50 0 IFAARN Cc1c(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000013109982 556463975 /nfs/dbraw/zinc/46/39/75/556463975.db2.gz UMNZHPHCALGBCJ-KRWDZBQOSA-N 0 0 447.495 2.589 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)c(C)s1 ZINC000014964916 556465378 /nfs/dbraw/zinc/46/53/78/556465378.db2.gz FCAFQXPCCTXPBV-OAHLLOKOSA-N 0 0 436.555 2.924 50 0 IFAARN Cn1nc(C(=O)N2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)ccc1=O ZINC000014969510 556466725 /nfs/dbraw/zinc/46/67/25/556466725.db2.gz IDIVOSZVPJHKFM-GOSISDBHSA-N 0 0 430.508 2.730 50 0 IFAARN O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 ZINC000014970323 556466757 /nfs/dbraw/zinc/46/67/57/556466757.db2.gz PXWWLPFVLPYDPT-XMMPIXPASA-N 0 0 449.595 2.896 50 0 IFAARN Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)nn1C ZINC000014970063 556466866 /nfs/dbraw/zinc/46/68/66/556466866.db2.gz YPEHYMCJJMNOBI-QFIPXVFZSA-N 0 0 437.588 2.705 50 0 IFAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000013117508 556470188 /nfs/dbraw/zinc/47/01/88/556470188.db2.gz CYPHQWAAJLDWFZ-AWEZNQCLSA-N 0 0 434.568 2.846 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000013118012 556471124 /nfs/dbraw/zinc/47/11/24/556471124.db2.gz CUJINNPSNCDXIT-RTBURBONSA-N 0 0 431.492 2.549 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000013119441 556471784 /nfs/dbraw/zinc/47/17/84/556471784.db2.gz HGAJOOBAVPXOHK-UHFFFAOYSA-N 0 0 438.933 2.974 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000013120170 556472025 /nfs/dbraw/zinc/47/20/25/556472025.db2.gz ZJESSKAIBBQHQD-JOCHJYFZSA-N 0 0 442.585 2.633 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1C ZINC000013120407 556472203 /nfs/dbraw/zinc/47/22/03/556472203.db2.gz VORHMTMOXLMAEF-UHFFFAOYSA-N 0 0 434.540 2.827 50 0 IFAARN CCN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013120741 556472917 /nfs/dbraw/zinc/47/29/17/556472917.db2.gz LUJGLQRGPGAGKN-UHFFFAOYSA-N 0 0 437.891 2.618 50 0 IFAARN COC(=O)c1sccc1NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C ZINC000029356454 556473239 /nfs/dbraw/zinc/47/32/39/556473239.db2.gz RFLLICXVCVFWLB-AWEZNQCLSA-N 0 0 446.510 2.907 50 0 IFAARN COC(=O)c1sccc1NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1C ZINC000029356455 556473254 /nfs/dbraw/zinc/47/32/54/556473254.db2.gz RFLLICXVCVFWLB-CQSZACIVSA-N 0 0 446.510 2.907 50 0 IFAARN O=C(CCOc1ccccc1)Nc1cnn(CC(=O)NC[C@@H]2OCCc3ccccc32)c1 ZINC000014992413 556475763 /nfs/dbraw/zinc/47/57/63/556475763.db2.gz XIBSEHYPWBVMDS-QFIPXVFZSA-N 0 0 434.496 2.721 50 0 IFAARN O=C(CN1C[C@H](c2ccccc2)CC1=O)NC[C@H]1Cc2cc(F)cc(-c3cnccn3)c2O1 ZINC000014993150 556476144 /nfs/dbraw/zinc/47/61/44/556476144.db2.gz HTKRQLCFXICPAP-UYAOXDASSA-N 0 0 446.482 2.719 50 0 IFAARN CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000013130872 556480085 /nfs/dbraw/zinc/48/00/85/556480085.db2.gz YISSKYWXQTWBOL-GFCCVEGCSA-N 0 0 428.367 2.698 50 0 IFAARN O=C(CSc1nc(-c2cccs2)nc2ccccc21)NC(=O)CN1CCCC1=O ZINC000013130911 556480093 /nfs/dbraw/zinc/48/00/93/556480093.db2.gz CAJGRARZLSGPJR-UHFFFAOYSA-N 0 0 426.523 2.716 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000013132114 556481044 /nfs/dbraw/zinc/48/10/44/556481044.db2.gz MKYJYISVCJERRI-UHFFFAOYSA-N 0 0 428.491 2.816 50 0 IFAARN CCCOc1ccc([C@H]2c3c(=O)[nH]c(=O)[nH]c3NC(C)=C2C(=O)OC)c(OCCC)c1 ZINC000013134510 556482550 /nfs/dbraw/zinc/48/25/50/556482550.db2.gz NXNMQNTYJCQUHE-QGZVFWFLSA-N 0 0 429.473 2.645 50 0 IFAARN NC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)cc1 ZINC000013135055 556483160 /nfs/dbraw/zinc/48/31/60/556483160.db2.gz GPFMFGKSSBXXGT-UHFFFAOYSA-N 0 0 431.448 2.762 50 0 IFAARN COC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029832427 556483836 /nfs/dbraw/zinc/48/38/36/556483836.db2.gz WMSJOWPHTFTFGP-UHFFFAOYSA-N 0 0 433.313 2.880 50 0 IFAARN O=C(c1cccc2ccccc21)N1CCN(C(=O)[C@H]2CCCN(c3cnccn3)C2)CC1 ZINC000029886828 556485601 /nfs/dbraw/zinc/48/56/01/556485601.db2.gz AYCWUPSBBNPOIN-FQEVSTJZSA-N 0 0 429.524 2.831 50 0 IFAARN O=C(NCc1cccnc1-n1ccnc1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000029908632 556486269 /nfs/dbraw/zinc/48/62/69/556486269.db2.gz SWVRAQKCRFEKJZ-OAHLLOKOSA-N 0 0 440.301 2.699 50 0 IFAARN O=S(=O)(NCCc1c[nH]c2ccc(F)cc12)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000072289872 556486639 /nfs/dbraw/zinc/48/66/39/556486639.db2.gz OBIGWCOWHPTNJL-UHFFFAOYSA-N 0 0 432.445 2.824 50 0 IFAARN C[C@H](c1nnc(SCC(=O)N2CCc3ccccc32)n1C)N1C(=O)COc2ccccc21 ZINC000015019110 556487476 /nfs/dbraw/zinc/48/74/76/556487476.db2.gz MWVVZNAJONNUJO-OAHLLOKOSA-N 0 0 449.536 2.983 50 0 IFAARN C[C@H](c1nnc(SCC(=O)NCc2ccccc2)n1C)N1C(=O)COc2ccccc21 ZINC000015019106 556487539 /nfs/dbraw/zinc/48/75/39/556487539.db2.gz GYPCIHCNNYCIMK-OAHLLOKOSA-N 0 0 437.525 2.710 50 0 IFAARN Cc1ccc(N(Cc2nnc(SCC(=O)Nc3ccccc3)n2C)S(C)(=O)=O)cc1 ZINC000015019656 556487750 /nfs/dbraw/zinc/48/77/50/556487750.db2.gz ICUDMYFQMKCQQA-UHFFFAOYSA-N 0 0 445.570 2.821 50 0 IFAARN O=C(CCC1CCCC1)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000029997638 556488492 /nfs/dbraw/zinc/48/84/92/556488492.db2.gz UTUWCTQOWZVHOZ-UHFFFAOYSA-N 0 0 427.597 2.691 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)cc1 ZINC000032876563 556489052 /nfs/dbraw/zinc/48/90/52/556489052.db2.gz AGYXAKXIHUMSQR-UHFFFAOYSA-N 0 0 445.504 2.871 50 0 IFAARN O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000015047684 556489740 /nfs/dbraw/zinc/48/97/40/556489740.db2.gz GRFMQMVNPNHUSK-IBGZPJMESA-N 0 0 433.867 2.544 50 0 IFAARN O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000015047687 556489781 /nfs/dbraw/zinc/48/97/81/556489781.db2.gz GRFMQMVNPNHUSK-LJQANCHMSA-N 0 0 433.867 2.544 50 0 IFAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000013149121 556490743 /nfs/dbraw/zinc/49/07/43/556490743.db2.gz QUVCWTOXRRVONE-XMHCIUCPSA-N 0 0 427.432 2.781 50 0 IFAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)c3cc(C)n(CC(F)(F)F)c3C)C2=O)cc1 ZINC000013149967 556491992 /nfs/dbraw/zinc/49/19/92/556491992.db2.gz VMGXWJHDWXMXHJ-UHFFFAOYSA-N 0 0 437.374 2.854 50 0 IFAARN Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1OCC(=O)NC1CCCCC1 ZINC000013153241 556492977 /nfs/dbraw/zinc/49/29/77/556492977.db2.gz DMORMVRLLXPVOL-INIZCTEOSA-N 0 0 444.981 2.933 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O)c1cc2ccccc2o1 ZINC000013163366 556493795 /nfs/dbraw/zinc/49/37/95/556493795.db2.gz HUNRUGGDVNUWMC-SHACYNPGSA-N 0 0 449.463 2.848 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000011070128 556494759 /nfs/dbraw/zinc/49/47/59/556494759.db2.gz DONVQIRHWCNEQO-AWEZNQCLSA-N 0 0 446.454 2.922 50 0 IFAARN Cc1ccc(OCc2nnc(SCc3cccc(S(=O)(=O)N(C)C)c3)n2N)c(C)c1 ZINC000013164152 556495788 /nfs/dbraw/zinc/49/57/88/556495788.db2.gz DIGVMTLBFLIRTQ-UHFFFAOYSA-N 0 0 447.586 2.730 50 0 IFAARN COc1ccc(CCC(=O)O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000013165087 556497991 /nfs/dbraw/zinc/49/79/91/556497991.db2.gz HFKVJRKESBCUGY-INIZCTEOSA-N 0 0 448.541 2.757 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 ZINC000013165328 556498356 /nfs/dbraw/zinc/49/83/56/556498356.db2.gz JMDIKTVMRYULLA-JOCHJYFZSA-N 0 0 427.570 2.665 50 0 IFAARN O=C(NC[C@@H]1CCCN(C(=O)c2cccc(N3CCNC3=O)c2)C1)c1cc2ccccc2[nH]1 ZINC000015075063 556498751 /nfs/dbraw/zinc/49/87/51/556498751.db2.gz XPTHILAFZZSPJT-KRWDZBQOSA-N 0 0 445.523 2.980 50 0 IFAARN CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000030624237 556500106 /nfs/dbraw/zinc/50/01/06/556500106.db2.gz DPJHPKRQUJNMEO-KRWDZBQOSA-N 0 0 425.533 2.539 50 0 IFAARN CCC[C@H](C)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000015088955 556503115 /nfs/dbraw/zinc/50/31/15/556503115.db2.gz PABNKRHLUXSCJP-INIZCTEOSA-N 0 0 440.562 2.722 50 0 IFAARN O=c1cc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(O)cc2o1 ZINC000015102278 556503527 /nfs/dbraw/zinc/50/35/27/556503527.db2.gz JMBZLPADDKNDDE-UHFFFAOYSA-N 0 0 432.473 2.534 50 0 IFAARN COc1cc([C@H]2O[C@H](C)Cn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000015106201 556503870 /nfs/dbraw/zinc/50/38/70/556503870.db2.gz PQMKEIHMJPKBMK-QKFKETGDSA-N 0 0 447.491 2.928 50 0 IFAARN Cc1cn([C@H]2C[C@@H](OC(=O)c3ccccc3)[C@@H](COC(=O)c3ccccc3)O2)c(=O)nc1N ZINC000015107665 556504468 /nfs/dbraw/zinc/50/44/68/556504468.db2.gz NCTJUBXGPJXNME-VAMGGRTRSA-N 0 0 449.463 2.504 50 0 IFAARN COc1ccc(-c2nnc(CN3CCC(NS(=O)(=O)c4ccccc4)CC3)o2)cc1 ZINC000032879631 556505171 /nfs/dbraw/zinc/50/51/71/556505171.db2.gz BGDAFDXGMUYLDP-UHFFFAOYSA-N 0 0 428.514 2.688 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NCCn2c(C)nc3ccccc32)ccc1OC ZINC000015136105 556505890 /nfs/dbraw/zinc/50/58/90/556505890.db2.gz VYFWNIMNAMGAQQ-UHFFFAOYSA-N 0 0 444.557 2.814 50 0 IFAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1)OCc1ccccc1 ZINC000030808064 556506554 /nfs/dbraw/zinc/50/65/54/556506554.db2.gz OTTYCURYFSYNNC-JOCHJYFZSA-N 0 0 445.523 2.663 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2c3c(sc2NC(=O)CN2CCOCC2)CCC3)c1 ZINC000013465527 556507165 /nfs/dbraw/zinc/50/71/65/556507165.db2.gz ZDVYYIMDFDJQLV-UHFFFAOYSA-N 0 0 445.541 2.777 50 0 IFAARN CCOc1ccc(CCNS(=O)(=O)c2ccc([C@H]3CNC(=O)C3)cc2)cc1OCC ZINC000030836034 556507481 /nfs/dbraw/zinc/50/74/81/556507481.db2.gz CZQMZNKVQWBIJA-GOSISDBHSA-N 0 0 432.542 2.609 50 0 IFAARN COCCn1c2ccc(Cl)cc2nc1SCC(=O)N1CCC(C(=O)OC)CC1 ZINC000032881465 556508152 /nfs/dbraw/zinc/50/81/52/556508152.db2.gz GVIWSWJMXRZDJK-UHFFFAOYSA-N 0 0 425.938 2.840 50 0 IFAARN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccncc2)CC1 ZINC000013495506 556508777 /nfs/dbraw/zinc/50/87/77/556508777.db2.gz QGKNDKKRMYILGS-UHFFFAOYSA-N 0 0 437.949 2.851 50 0 IFAARN CCOc1ccc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)sc2c1 ZINC000013495542 556508857 /nfs/dbraw/zinc/50/88/57/556508857.db2.gz UZUFULQGAHECDK-UHFFFAOYSA-N 0 0 441.585 2.855 50 0 IFAARN O=C(OCCOc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000015187543 556509578 /nfs/dbraw/zinc/50/95/78/556509578.db2.gz YEDAEAAOAAYNLK-UHFFFAOYSA-N 0 0 443.880 2.736 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000013514169 556511114 /nfs/dbraw/zinc/51/11/14/556511114.db2.gz INFHNFKNGGLBHZ-INIZCTEOSA-N 0 0 447.532 2.678 50 0 IFAARN COc1ccc(CCN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1OC ZINC000030863696 556511683 /nfs/dbraw/zinc/51/16/83/556511683.db2.gz OWPDKCBMCSJLRW-QGZVFWFLSA-N 0 0 440.496 2.529 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000032889057 556511826 /nfs/dbraw/zinc/51/18/26/556511826.db2.gz MQOQNGGKGYZWGS-AWEZNQCLSA-N 0 0 434.418 2.929 50 0 IFAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000032895262 556515210 /nfs/dbraw/zinc/51/52/10/556515210.db2.gz IUJYKNXGUCVPDN-UHFFFAOYSA-N 0 0 447.467 2.519 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c1 ZINC000015284862 556516100 /nfs/dbraw/zinc/51/61/00/556516100.db2.gz VKZFDOWRNGSJIG-KRWDZBQOSA-N 0 0 429.498 2.851 50 0 IFAARN CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000030942630 556516610 /nfs/dbraw/zinc/51/66/10/556516610.db2.gz DSKSTDZVDJSFFY-LJQANCHMSA-N 0 0 445.541 2.771 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NCc1cccc(Cl)c1 ZINC000013557475 556517514 /nfs/dbraw/zinc/51/75/14/556517514.db2.gz KBISBVPZOJBECT-LJOBPSPCSA-N 0 0 429.929 2.731 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc(I)c1 ZINC000015305518 556517834 /nfs/dbraw/zinc/51/78/34/556517834.db2.gz VCWRXYGZYQWZOW-ZIAGYGMSSA-N 0 0 426.254 2.795 50 0 IFAARN Cc1csc(=O)n1CCCC(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000032889440 556518622 /nfs/dbraw/zinc/51/86/22/556518622.db2.gz XJQUDIODMXYODG-UHFFFAOYSA-N 0 0 441.557 2.701 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1OC ZINC000013566071 556518878 /nfs/dbraw/zinc/51/88/78/556518878.db2.gz PWYYXOPHYSOPEH-GOSISDBHSA-N 0 0 432.542 2.763 50 0 IFAARN O=C(Nc1ccc(OC(F)F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000015317561 556518930 /nfs/dbraw/zinc/51/89/30/556518930.db2.gz XTJYGOIWEQCALK-UHFFFAOYSA-N 0 0 430.404 2.700 50 0 IFAARN COc1ccc(N2C(=O)C[C@@H](N(C)CC(=O)Nc3ccccc3Cl)C2=O)c(OC)c1 ZINC000032891454 556519258 /nfs/dbraw/zinc/51/92/58/556519258.db2.gz ZJYOQDKWXXDJQV-QGZVFWFLSA-N 0 0 431.876 2.560 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc(Cl)c(Cl)c1 ZINC000013566733 556519743 /nfs/dbraw/zinc/51/97/43/556519743.db2.gz XUQMFLCXPLOYIH-UHFFFAOYSA-N 0 0 445.324 2.800 50 0 IFAARN C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCN1CCCC1=O ZINC000013571840 556522444 /nfs/dbraw/zinc/52/24/44/556522444.db2.gz MUDHYFHPIKLZIS-CYBMUJFWSA-N 0 0 432.904 2.831 50 0 IFAARN Cc1ccc(C)c(OC[C@H](O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 ZINC000015346540 556522710 /nfs/dbraw/zinc/52/27/10/556522710.db2.gz VNMKNJDAFOZNEX-RCJYHZQCSA-N 0 0 430.570 2.661 50 0 IFAARN O=C(Nc1ccccc1N1CCCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015356795 556522906 /nfs/dbraw/zinc/52/29/06/556522906.db2.gz LYFPGJBCZACNPI-UHFFFAOYSA-N 0 0 433.505 2.699 50 0 IFAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)c(OC)c1 ZINC000013573710 556524056 /nfs/dbraw/zinc/52/40/56/556524056.db2.gz YLUNGOQNCORHPK-GZQZNAIASA-N 0 0 434.514 2.504 50 0 IFAARN CCC(CC)[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC ZINC000072300930 556524122 /nfs/dbraw/zinc/52/41/22/556524122.db2.gz PFGPCJULANCBDK-GBXCKJPGSA-N 0 0 439.512 2.701 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000013573931 556524387 /nfs/dbraw/zinc/52/43/87/556524387.db2.gz TXSNURJJZQCODF-UHFFFAOYSA-N 0 0 448.884 2.720 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NCCOc2c(C)cccc2C)CCCC1 ZINC000072301550 556525198 /nfs/dbraw/zinc/52/51/98/556525198.db2.gz GIZYQYDJXYITRE-UHFFFAOYSA-N 0 0 435.546 2.695 50 0 IFAARN O=C(CSc1nn2c(nc3c(c2=O)CN(C[C@@H]2CCCO2)CC3)s1)c1ccccc1 ZINC000015414336 556526293 /nfs/dbraw/zinc/52/62/93/556526293.db2.gz TYWGLVFBNDTUQH-HNNXBMFYSA-N 0 0 442.566 2.663 50 0 IFAARN O=C(c1ccc(I)cc1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000032900289 556529117 /nfs/dbraw/zinc/52/91/17/556529117.db2.gz PDIWWVDEYKCWCP-UHFFFAOYSA-N 0 0 427.286 2.655 50 0 IFAARN CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CC1 ZINC000013592821 556530664 /nfs/dbraw/zinc/53/06/64/556530664.db2.gz AHKJRMRFDJWBAM-RZQQEMMASA-N 0 0 433.599 2.552 50 0 IFAARN CSCC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000032899916 556531625 /nfs/dbraw/zinc/53/16/25/556531625.db2.gz KPOPCGXMTXIMLO-QHAWAJNXSA-N 0 0 443.613 2.628 50 0 IFAARN COc1cc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc(OC)c1OCC(N)=O ZINC000015513616 556532325 /nfs/dbraw/zinc/53/23/25/556532325.db2.gz OTEUSQWMASRWRA-CYBMUJFWSA-N 0 0 448.545 2.509 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cn2ccn(-c3ccccc3C)c2=S)CC1 ZINC000015545004 556533819 /nfs/dbraw/zinc/53/38/19/556533819.db2.gz HCIHJDAVVUHOSF-UHFFFAOYSA-N 0 0 447.586 2.886 50 0 IFAARN O=C(CSCCc1ccccc1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000032902321 556535953 /nfs/dbraw/zinc/53/59/53/556535953.db2.gz UGSCGQHWGFWAMT-UHFFFAOYSA-N 0 0 438.546 2.761 50 0 IFAARN COc1ccc([C@@H](CNC(=O)c2ccc(OCC(F)(F)F)nc2)N2CCOCC2)cc1 ZINC000032902363 556535957 /nfs/dbraw/zinc/53/59/57/556535957.db2.gz STZALFQCEUTPFA-GOSISDBHSA-N 0 0 439.434 2.835 50 0 IFAARN O=C(Nc1ccc(O)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000013623923 556536495 /nfs/dbraw/zinc/53/64/95/556536495.db2.gz FZWIMWNARPJVMD-MRXNPFEDSA-N 0 0 443.525 2.558 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3C)n2N)c(OC)c1 ZINC000032719433 556537279 /nfs/dbraw/zinc/53/72/79/556537279.db2.gz UUBBKQVNDNSWGY-AWEZNQCLSA-N 0 0 427.530 2.954 50 0 IFAARN COC(=O)c1sccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000015606630 556537402 /nfs/dbraw/zinc/53/74/02/556537402.db2.gz JSVIKVKGZKIDCI-UHFFFAOYSA-N 0 0 438.527 2.583 50 0 IFAARN COc1cc(C(=O)NC2CCC(O)CC2)cc(CN2C(=O)c3ccccc3C2=O)c1OC ZINC000015616445 556538607 /nfs/dbraw/zinc/53/86/07/556538607.db2.gz QJSLIYWMKFDCNN-UHFFFAOYSA-N 0 0 438.480 2.533 50 0 IFAARN CCc1[nH]c(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c(C)c1C(=O)OC ZINC000015631099 556538867 /nfs/dbraw/zinc/53/88/67/556538867.db2.gz ZWIGKUDHHCMAGJ-UHFFFAOYSA-N 0 0 445.497 2.996 50 0 IFAARN CCOC(=O)[C@H]1CSCCN1C(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000032902939 556541190 /nfs/dbraw/zinc/54/11/90/556541190.db2.gz GYKJBAMLUAAKHZ-LJQANCHMSA-N 0 0 426.542 2.939 50 0 IFAARN CCNC(=S)N(CCc1ccc(OC)cc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000015658841 556541346 /nfs/dbraw/zinc/54/13/46/556541346.db2.gz LKKPRMYPXSHADL-FQEVSTJZSA-N 0 0 441.553 2.775 50 0 IFAARN CCS(=O)(=O)N1CCc2cc(-c3csc(CC(=O)NCc4ccco4)n3)ccc21 ZINC000032903003 556541934 /nfs/dbraw/zinc/54/19/34/556541934.db2.gz PTCWGKZSGBEUJS-UHFFFAOYSA-N 0 0 431.539 2.974 50 0 IFAARN CCCCN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032904970 556545361 /nfs/dbraw/zinc/54/53/61/556545361.db2.gz ARXJJZBIBYQQQW-UHFFFAOYSA-N 0 0 435.528 2.866 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)NCc3ccccc3)C(C)C)ccc21 ZINC000004436083 556546234 /nfs/dbraw/zinc/54/62/34/556546234.db2.gz MUDXMQAOHXIPCA-JOCHJYFZSA-N 0 0 443.569 2.605 50 0 IFAARN CC(C)Cn1c(N=NC=C(Br)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000008574703 556546964 /nfs/dbraw/zinc/54/69/64/556546964.db2.gz XBAMXMSYFWKBCH-VYFLEUFZSA-N 0 0 445.321 2.913 50 0 IFAARN CCOC(=O)[C@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@H](C)CC ZINC000072303258 556547010 /nfs/dbraw/zinc/54/70/10/556547010.db2.gz ZIIXXBUBSGENLK-PIGZYNQJSA-N 0 0 437.587 2.801 50 0 IFAARN CC(C)(C)OC(=O)CCCCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000072303188 556547263 /nfs/dbraw/zinc/54/72/63/556547263.db2.gz RYKHAVNPYUAOEF-INIZCTEOSA-N 0 0 432.517 2.829 50 0 IFAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000032722561 556547971 /nfs/dbraw/zinc/54/79/71/556547971.db2.gz CXXYBTLTYRDFSY-FQEVSTJZSA-N 0 0 425.916 2.631 50 0 IFAARN COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccccc3Cl)CC2)cc1F ZINC000032722522 556548059 /nfs/dbraw/zinc/54/80/59/556548059.db2.gz XBFRIVALUNCJLM-UHFFFAOYSA-N 0 0 433.911 2.952 50 0 IFAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000072304361 556548540 /nfs/dbraw/zinc/54/85/40/556548540.db2.gz GJXLRNIXWUYGLX-UHFFFAOYSA-N 0 0 439.537 2.517 50 0 IFAARN C[C@@H]1CN(Cc2ccccc2CNC(=O)c2ccnc(N3CCO[C@@H](C)C3)c2)C[C@H](C)O1 ZINC000072305404 556552956 /nfs/dbraw/zinc/55/29/56/556552956.db2.gz BVKOKGVENBAURK-SLFFLAALSA-N 0 0 438.572 2.846 50 0 IFAARN CCCCSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(OC)OC ZINC000032906894 556554677 /nfs/dbraw/zinc/55/46/77/556554677.db2.gz YMQWBOSOFMEJFO-UHFFFAOYSA-N 0 0 428.580 2.707 50 0 IFAARN O=C(NCCCN1CCCC1=O)C1(c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000033115336 556554910 /nfs/dbraw/zinc/55/49/10/556554910.db2.gz BBKWDPMQNFMUNC-UHFFFAOYSA-N 0 0 441.553 2.648 50 0 IFAARN Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1NS(C)(=O)=O ZINC000013679965 556556270 /nfs/dbraw/zinc/55/62/70/556556270.db2.gz RVAYTJDRSFMXMA-UHFFFAOYSA-N 0 0 438.509 2.944 50 0 IFAARN COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)NCc4cccnc4)C3)n2)cc1OC ZINC000033250165 556556944 /nfs/dbraw/zinc/55/69/44/556556944.db2.gz ZCBOTAPGFOKDAL-GOSISDBHSA-N 0 0 437.500 2.677 50 0 IFAARN C[C@H](CC(=O)N1CCN(c2ccccc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000033252797 556556969 /nfs/dbraw/zinc/55/69/69/556556969.db2.gz JSPCJTUFXCSQSZ-KRWDZBQOSA-N 0 0 426.542 2.964 50 0 IFAARN C[C@@](O)(CNC(=O)c1cc2ccccc2n1Cc1ccccc1F)CN1CCOCC1 ZINC000072306609 556557953 /nfs/dbraw/zinc/55/79/53/556557953.db2.gz XCIJVHLQCPPDCN-XMMPIXPASA-N 0 0 425.504 2.642 50 0 IFAARN O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000015859661 556558308 /nfs/dbraw/zinc/55/83/08/556558308.db2.gz NUEDPEGAHKIOSA-QGZVFWFLSA-N 0 0 425.441 2.509 50 0 IFAARN CCCN1C=NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc21 ZINC000015867537 556559404 /nfs/dbraw/zinc/55/94/04/556559404.db2.gz NMJKGVIXDKJECM-UHFFFAOYSA-N 0 0 442.541 2.605 50 0 IFAARN COc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccccc3F)[nH]c2=O)cc1 ZINC000015882078 556561299 /nfs/dbraw/zinc/56/12/99/556561299.db2.gz ANKYOGBWJNWUBW-UHFFFAOYSA-N 0 0 440.460 2.694 50 0 IFAARN CNc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1 ZINC000015913897 556563455 /nfs/dbraw/zinc/56/34/55/556563455.db2.gz ZMRHKMVCEJYTRU-UHFFFAOYSA-N 0 0 429.333 2.788 50 0 IFAARN CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000015919206 556563421 /nfs/dbraw/zinc/56/34/21/556563421.db2.gz WPMFCNNFILWEAD-CQSZACIVSA-N 0 0 434.389 2.558 50 0 IFAARN O=C(NCc1ccccc1)NC1(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CCCC1 ZINC000032907925 556563986 /nfs/dbraw/zinc/56/39/86/556563986.db2.gz XEMSKSMUTHJQNR-UHFFFAOYSA-N 0 0 434.540 2.783 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CN(CC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000072308532 556565325 /nfs/dbraw/zinc/56/53/25/556565325.db2.gz DBFPQPPUGPWINI-UHFFFAOYSA-N 0 0 447.557 2.724 50 0 IFAARN CC(=O)c1ccc(OCC(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 ZINC000032908605 556565466 /nfs/dbraw/zinc/56/54/66/556565466.db2.gz HJCGKMHRRQMXNA-UHFFFAOYSA-N 0 0 426.498 2.724 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N3CCCc4cccc(F)c43)CC2)cc1 ZINC000032909059 556567471 /nfs/dbraw/zinc/56/74/71/556567471.db2.gz SSADUPQQZIJTOF-UHFFFAOYSA-N 0 0 445.560 2.810 50 0 IFAARN Cc1ccc(O)c(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c1 ZINC000015972695 556569957 /nfs/dbraw/zinc/56/99/57/556569957.db2.gz GCZCLYGXMMZTIH-UHFFFAOYSA-N 0 0 438.553 2.835 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)c2c(O)c3c(n(CC(C)C)c2=O)CCCC3)n1 ZINC000015990388 556571804 /nfs/dbraw/zinc/57/18/04/556571804.db2.gz YBJHLTVEIBSAAQ-UHFFFAOYSA-N 0 0 433.530 2.903 50 0 IFAARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000015996518 556571816 /nfs/dbraw/zinc/57/18/16/556571816.db2.gz CKQHOCFSFLTMIJ-YWNPBTLJSA-N 0 0 437.883 2.780 50 0 IFAARN O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000016011905 556574242 /nfs/dbraw/zinc/57/42/42/556574242.db2.gz ZBMSHHNCKGMYTQ-SUWCGCSTSA-N 0 0 425.847 2.910 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N=c3[nH]c4ccccc4[nH]3)ccc2Cl)C[C@@H](C)O1 ZINC000016019818 556574757 /nfs/dbraw/zinc/57/47/57/556574757.db2.gz DTUQYTKDSDCNRV-CHWSQXEVSA-N 0 0 448.932 2.688 50 0 IFAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000002836886 556575450 /nfs/dbraw/zinc/57/54/50/556575450.db2.gz RNCYTLUPBGBJDM-UHFFFAOYSA-N 0 0 430.921 2.883 50 0 IFAARN COc1ccc(NC(=O)C2(NC(=O)c3cnc4c(c3)c(C)nn4C)CCCC2)cc1OC ZINC000072310321 556575810 /nfs/dbraw/zinc/57/58/10/556575810.db2.gz GHLUKPHPHVJWIH-UHFFFAOYSA-N 0 0 437.500 2.975 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000032910542 556576209 /nfs/dbraw/zinc/57/62/09/556576209.db2.gz OAVCLHIFXZTJSQ-FBQBUPJLSA-N 0 0 441.528 2.848 50 0 IFAARN CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000032910578 556576563 /nfs/dbraw/zinc/57/65/63/556576563.db2.gz SEPUTKUTLPCDQI-WMZOPIPTSA-N 0 0 448.545 2.578 50 0 IFAARN O=C(C1CCC(CNS(=O)(=O)c2ccccc2)CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000016033738 556577084 /nfs/dbraw/zinc/57/70/84/556577084.db2.gz RDMNATBELOOMFB-RRDHRZETSA-N 0 0 434.602 2.925 50 0 IFAARN COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)c1 ZINC000032909900 556577769 /nfs/dbraw/zinc/57/77/69/556577769.db2.gz WQEJWZTWMDAHHW-UHFFFAOYSA-N 0 0 431.448 2.825 50 0 IFAARN CCOC(=O)C1=C(CSc2nnc(C(F)(F)F)n2C)NC(=O)N[C@H]1c1cccs1 ZINC000016044408 556578663 /nfs/dbraw/zinc/57/86/63/556578663.db2.gz ZPWWJFPUSIURTA-NSHDSACASA-N 0 0 447.464 2.859 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CS(=O)(=O)C[C@@H]1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000004339202 556579213 /nfs/dbraw/zinc/57/92/13/556579213.db2.gz HNRQDGHEHSFNCZ-XETNVZRVSA-N 0 0 426.623 2.817 50 0 IFAARN COc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)N2CCOCC2)cc1 ZINC000016045426 556579311 /nfs/dbraw/zinc/57/93/11/556579311.db2.gz PGDPJKNMADOCOZ-VQTJNVASSA-N 0 0 443.569 2.551 50 0 IFAARN CCOC(=O)N1CCN(C(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)CC1 ZINC000016045939 556579908 /nfs/dbraw/zinc/57/99/08/556579908.db2.gz CUJDZDDBCSXMDP-UHFFFAOYSA-N 0 0 431.562 2.825 50 0 IFAARN O=C(NCc1ccco1)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21 ZINC000016050586 556581074 /nfs/dbraw/zinc/58/10/74/556581074.db2.gz HOLGNQMBLYGBEO-UHFFFAOYSA-N 0 0 441.440 2.991 50 0 IFAARN CN(C(=O)COC(=O)CSc1cccc2cccc(Cl)c21)[C@@H]1CCS(=O)(=O)C1 ZINC000016050883 556581284 /nfs/dbraw/zinc/58/12/84/556581284.db2.gz RIVILGUIGMIXHN-CQSZACIVSA-N 0 0 441.958 2.774 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)n1 ZINC000016091300 556582447 /nfs/dbraw/zinc/58/24/47/556582447.db2.gz PKTGSPUQSUQALN-UHFFFAOYSA-N 0 0 435.488 2.687 50 0 IFAARN C[C@H](NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(S(C)(=O)=O)cc1 ZINC000016109638 556583336 /nfs/dbraw/zinc/58/33/36/556583336.db2.gz UZMFLEVNDUCXRA-SCUMNGBJSA-N 0 0 447.601 2.925 50 0 IFAARN COc1ccc(/C=C(/NC(=O)c2ccc(Br)cc2)C(=O)NCCCO)cc1 ZINC000016115317 556583829 /nfs/dbraw/zinc/58/38/29/556583829.db2.gz LKCMKNWCAUKFSS-QGOAFFKASA-N 0 0 433.302 2.727 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000034856347 556584034 /nfs/dbraw/zinc/58/40/34/556584034.db2.gz KRQIHWBGPUIWED-IBGZPJMESA-N 0 0 427.570 2.669 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cccnc2Nc2ccccc2F)NC(=O)N[C@H]1C ZINC000032910695 556584302 /nfs/dbraw/zinc/58/43/02/556584302.db2.gz OHJQWHLDIDQPRU-LBPRGKRZSA-N 0 0 428.420 2.640 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccc(F)cc1F ZINC000034863360 556584346 /nfs/dbraw/zinc/58/43/46/556584346.db2.gz RKRIZCGUHNQLLK-UHFFFAOYSA-N 0 0 435.905 2.625 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)c(C)c1 ZINC000034887473 556585520 /nfs/dbraw/zinc/58/55/20/556585520.db2.gz YOJITNJGQJKTHU-HXUWFJFHSA-N 0 0 429.586 2.796 50 0 IFAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCCn2c3ccccc3oc2=O)c1C ZINC000016145624 556585567 /nfs/dbraw/zinc/58/55/67/556585567.db2.gz XZCJZNDUGBNJNL-UHFFFAOYSA-N 0 0 431.514 2.881 50 0 IFAARN CCN(C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CCCCC1 ZINC000034889299 556585793 /nfs/dbraw/zinc/58/57/93/556585793.db2.gz YPMDOTPRPQKKRQ-KRWDZBQOSA-N 0 0 425.570 2.702 50 0 IFAARN Cc1nn(CC(=O)NCc2cccs2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000011103454 556587408 /nfs/dbraw/zinc/58/74/08/556587408.db2.gz LJMZEBBIMYALFV-UHFFFAOYSA-N 0 0 430.555 2.629 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCCC[C@@H]3C)c2)CC1 ZINC000032969001 556587903 /nfs/dbraw/zinc/58/79/03/556587903.db2.gz VFTPXGHEOWSUJS-HNAYVOBHSA-N 0 0 427.998 2.975 50 0 IFAARN CN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 ZINC000032913077 556594070 /nfs/dbraw/zinc/59/40/70/556594070.db2.gz LGERGEKGUUEUFV-KRWDZBQOSA-N 0 0 436.578 2.583 50 0 IFAARN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000016248482 556594231 /nfs/dbraw/zinc/59/42/31/556594231.db2.gz FVLHDEBLKPYWHR-JOCHJYFZSA-N 0 0 441.597 2.592 50 0 IFAARN CCNC(=S)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)N[C@@H](C)CC)CC1 ZINC000036214449 556594848 /nfs/dbraw/zinc/59/48/48/556594848.db2.gz ZEIJIDKLOGEYOY-KSSFIOAISA-N 0 0 439.025 2.960 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(CCNS(C)(=O)=O)cc2)c(OC)c1 ZINC000016261615 556595165 /nfs/dbraw/zinc/59/51/65/556595165.db2.gz VNPWNTPDESKUMV-HXUWFJFHSA-N 0 0 432.542 2.773 50 0 IFAARN CN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000036289164 556596339 /nfs/dbraw/zinc/59/63/39/556596339.db2.gz ANZBIHUXXOMXEY-UHFFFAOYSA-N 0 0 449.381 2.762 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)CC(=O)NC2CCCCC2)cc1 ZINC000016320137 556600070 /nfs/dbraw/zinc/60/00/70/556600070.db2.gz LXLUNSMZESLVOB-UHFFFAOYSA-N 0 0 449.617 2.884 50 0 IFAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000032975706 556600395 /nfs/dbraw/zinc/60/03/95/556600395.db2.gz ONHBYYSYPHMWFV-RYQLBKOJSA-N 0 0 434.558 2.934 50 0 IFAARN COc1ccc(NC(=S)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000016345908 556601450 /nfs/dbraw/zinc/60/14/50/556601450.db2.gz NSKFBQOWIQUUAU-UHFFFAOYSA-N 0 0 437.543 2.534 50 0 IFAARN CC[C@@H](C)N(C(=O)CN(C)Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000016388248 556604608 /nfs/dbraw/zinc/60/46/08/556604608.db2.gz BBYKZNXUBXIRBA-GDBMZVCRSA-N 0 0 431.396 2.695 50 0 IFAARN Cc1cccc(S(=O)(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C(=O)[O-])c3c2)c1 ZINC000032985274 556607199 /nfs/dbraw/zinc/60/71/99/556607199.db2.gz INFMCEVSCDMOBQ-UHFFFAOYSA-N 0 0 440.525 2.794 50 0 IFAARN CC(C)N(Cc1ccccc1)C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000016429491 556607263 /nfs/dbraw/zinc/60/72/63/556607263.db2.gz KPETWQSULWWSPE-UHFFFAOYSA-N 0 0 447.576 2.959 50 0 IFAARN COc1cccc(CNC(=O)COCc2nnc(C(=O)Nc3ccc(C)cc3)s2)c1 ZINC000032987457 556607652 /nfs/dbraw/zinc/60/76/52/556607652.db2.gz QYUHZZCGSVPBAW-UHFFFAOYSA-N 0 0 426.498 2.940 50 0 IFAARN COc1ccc(CNS(=O)(=O)c2ccc(OC)c(I)c2)cc1 ZINC000016448890 556608971 /nfs/dbraw/zinc/60/89/71/556608971.db2.gz ASOCIPYKULPAEL-UHFFFAOYSA-N 0 0 433.267 2.787 50 0 IFAARN CCOC(=O)C1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC000016476332 556610738 /nfs/dbraw/zinc/61/07/38/556610738.db2.gz YFNVELJNAYFVMB-UHFFFAOYSA-N 0 0 443.466 2.756 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2ccccc2C)c1C(=O)N1CCCCC1 ZINC000032996429 556611705 /nfs/dbraw/zinc/61/17/05/556611705.db2.gz JDWLBJCBPXHQOJ-UHFFFAOYSA-N 0 0 446.573 2.873 50 0 IFAARN COc1cc(NC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc(OC)c1 ZINC000038528697 556613057 /nfs/dbraw/zinc/61/30/57/556613057.db2.gz DQDASFJOUALNLM-UHFFFAOYSA-N 0 0 426.521 2.838 50 0 IFAARN Cc1ccc(SCCN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000016522514 556613826 /nfs/dbraw/zinc/61/38/26/556613826.db2.gz LUQNASLDWBXIDA-UHFFFAOYSA-N 0 0 434.583 2.865 50 0 IFAARN O=S(=O)(c1ccccc1F)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000016525244 556614084 /nfs/dbraw/zinc/61/40/84/556614084.db2.gz MIWDDJHYGORFNQ-UHFFFAOYSA-N 0 0 426.897 2.852 50 0 IFAARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1/C=C/c1ccccc1OC ZINC000100552355 556618588 /nfs/dbraw/zinc/61/85/88/556618588.db2.gz FHPRJTZZNRLDKU-ZHACJKMWSA-N 0 0 445.512 2.855 50 0 IFAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCCC3=O)c2)cc1 ZINC000016643786 556619782 /nfs/dbraw/zinc/61/97/82/556619782.db2.gz WPLYITIFAYBOAY-UHFFFAOYSA-N 0 0 445.541 2.628 50 0 IFAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000033664297 556620020 /nfs/dbraw/zinc/62/00/20/556620020.db2.gz VKNXIBYAHBOUBI-UHFFFAOYSA-N 0 0 441.572 2.730 50 0 IFAARN Cc1nc2n(c(=O)c1C)CN(CCN1CCOCC1)CN2c1cccc(C(F)(F)F)c1 ZINC000038830029 556621254 /nfs/dbraw/zinc/62/12/54/556621254.db2.gz CDBBKBXHEHRITC-UHFFFAOYSA-N 0 0 437.466 2.580 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O ZINC000016680358 556623789 /nfs/dbraw/zinc/62/37/89/556623789.db2.gz LTOZCZIKKDAIMX-XMHCIUCPSA-N 0 0 438.509 2.595 50 0 IFAARN CCOC(=O)c1sc2[nH]c(CSc3nnc(C(F)(F)F)n3C)nc(=O)c2c1C ZINC000016684492 556625113 /nfs/dbraw/zinc/62/51/13/556625113.db2.gz HJWAGJPDPGORJV-UHFFFAOYSA-N 0 0 433.437 2.909 50 0 IFAARN CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCc3cscn3)cc2Cl)CC1 ZINC000039466867 556629254 /nfs/dbraw/zinc/62/92/54/556629254.db2.gz YDDFDNGBQNZNEB-UHFFFAOYSA-N 0 0 443.978 2.572 50 0 IFAARN O=C(CCN1CCSC1=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000071818929 556634075 /nfs/dbraw/zinc/63/40/75/556634075.db2.gz DRZJVFFQLWXARF-GFCCVEGCSA-N 0 0 441.351 2.580 50 0 IFAARN CCN1CCN(C(=O)c2ccc3c(c2)n(Cc2ccc(F)cc2)c(=O)c2ccnn23)CC1 ZINC000097938729 556635192 /nfs/dbraw/zinc/63/51/92/556635192.db2.gz RJCAPNMNMUOATK-UHFFFAOYSA-N 0 0 433.487 2.614 50 0 IFAARN COc1ccc(C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016751888 556637609 /nfs/dbraw/zinc/63/76/09/556637609.db2.gz PPIXPNLUTIJVSN-KRWDZBQOSA-N 0 0 449.525 2.551 50 0 IFAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1 ZINC000016753819 556638597 /nfs/dbraw/zinc/63/85/97/556638597.db2.gz CDCSSHFNDURGCU-UHFFFAOYSA-N 0 0 442.950 2.605 50 0 IFAARN CCn1c2ccc(C(=O)NCc3c(C)nn(Cc4ccccc4)c3C)cc2[nH]c(=O)c1=O ZINC000016777811 556640768 /nfs/dbraw/zinc/64/07/68/556640768.db2.gz RMNOFKLQWYMGLV-UHFFFAOYSA-N 0 0 431.496 2.501 50 0 IFAARN COc1ccc(CCc2nc(NC(=O)CC3(n4cccc4)CCOCC3)n[nH]2)cc1OC ZINC000409413750 556641132 /nfs/dbraw/zinc/64/11/32/556641132.db2.gz LIYDUKDEKYVXJV-UHFFFAOYSA-N 0 0 439.516 2.943 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(O)cc3)CC2)cc1 ZINC000032921934 556643172 /nfs/dbraw/zinc/64/31/72/556643172.db2.gz AERFDIWFYZWVFR-UHFFFAOYSA-N 0 0 432.542 2.850 50 0 IFAARN C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719828 556644708 /nfs/dbraw/zinc/64/47/08/556644708.db2.gz JKEKUMADVFIZAT-LBPRGKRZSA-N 0 0 429.514 2.796 50 0 IFAARN CCN(CCC(=O)NC(C)C)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1C)C2=O ZINC000037579521 556644819 /nfs/dbraw/zinc/64/48/19/556644819.db2.gz LIAIEKJJVYOELP-UHFFFAOYSA-N 0 0 439.560 2.614 50 0 IFAARN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719848 556644967 /nfs/dbraw/zinc/64/49/67/556644967.db2.gz MYIOLKZSVJCTLS-GFCCVEGCSA-N 0 0 429.514 2.796 50 0 IFAARN O=C(NCc1ccco1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000016844246 556646587 /nfs/dbraw/zinc/64/65/87/556646587.db2.gz QUVCIEWJIRAZEQ-UHFFFAOYSA-N 0 0 449.529 2.921 50 0 IFAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(F)cc1F)C[C@@H](C)S2 ZINC000011726520 556647077 /nfs/dbraw/zinc/64/70/77/556647077.db2.gz QDNKSBHEHASARV-SNVBAGLBSA-N 0 0 427.498 2.935 50 0 IFAARN CCN(CC)C(=O)N1CCN(Cn2nc([C@@H]3COc4ccccc4O3)n(C)c2=S)CC1 ZINC000032923246 556648268 /nfs/dbraw/zinc/64/82/68/556648268.db2.gz DAGFZIDXWBDYNV-SFHVURJKSA-N 0 0 446.577 2.500 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000100683784 556649121 /nfs/dbraw/zinc/64/91/21/556649121.db2.gz LLRKVCSMACZIJA-CHWSQXEVSA-N 0 0 444.841 2.623 50 0 IFAARN CC(C)OC(=O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000016964094 556651371 /nfs/dbraw/zinc/65/13/71/556651371.db2.gz KMLNSOQIMARLRW-UHFFFAOYSA-N 0 0 430.954 2.976 50 0 IFAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(N2CCOCC2)n1C1CC1 ZINC000011774855 556655053 /nfs/dbraw/zinc/65/50/53/556655053.db2.gz VUUGGXUFPQARJP-UHFFFAOYSA-N 0 0 427.983 2.915 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccc(NC(N)=O)cc1 ZINC000032927576 556656303 /nfs/dbraw/zinc/65/63/03/556656303.db2.gz RFFRHNVTUZOQOI-NSHDSACASA-N 0 0 444.435 2.509 50 0 IFAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1cnn(C)c1C ZINC000017094498 556657645 /nfs/dbraw/zinc/65/76/45/556657645.db2.gz LZFVQNRSTWOJQM-QGZVFWFLSA-N 0 0 425.518 2.978 50 0 IFAARN CCCCc1ccc(NC(=O)c2cc3c(n2CCCOC)n(C)c(=O)n(C)c3=O)cc1 ZINC000011845158 556660888 /nfs/dbraw/zinc/66/08/88/556660888.db2.gz RQVDUFIWHQDZHY-UHFFFAOYSA-N 0 0 426.517 2.670 50 0 IFAARN Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000043207238 556661436 /nfs/dbraw/zinc/66/14/36/556661436.db2.gz XTNGUQKDFGDXSJ-ZXGKGEBGSA-N 0 0 444.524 2.968 50 0 fda IFAARN Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccc(OC(C)C)cc1 ZINC000011858094 556662946 /nfs/dbraw/zinc/66/29/46/556662946.db2.gz ROZDOXGGBGUMMH-UHFFFAOYSA-N 0 0 438.527 2.650 50 0 IFAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000011858296 556663867 /nfs/dbraw/zinc/66/38/67/556663867.db2.gz FYSXJEUJZDBFSD-UHFFFAOYSA-N 0 0 448.444 2.881 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2=O)cc1Cl ZINC000011866598 556666722 /nfs/dbraw/zinc/66/67/22/556666722.db2.gz SLCQJHRMHPGNRD-AWEZNQCLSA-N 0 0 437.924 2.781 50 0 IFAARN COc1ccc(CCC(=O)OCC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 ZINC000011868081 556667581 /nfs/dbraw/zinc/66/75/81/556667581.db2.gz HFVJSWGEONAXQW-UHFFFAOYSA-N 0 0 442.487 2.862 50 0 IFAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000011904095 556670052 /nfs/dbraw/zinc/67/00/52/556670052.db2.gz QUPANXVLTBIYQI-GFCCVEGCSA-N 0 0 428.919 2.762 50 0 IFAARN C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1=O ZINC000011905024 556670875 /nfs/dbraw/zinc/67/08/75/556670875.db2.gz HOFJSAZRZFKUQE-LLVKDONJSA-N 0 0 448.444 2.819 50 0 IFAARN C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1=O ZINC000011905025 556670883 /nfs/dbraw/zinc/67/08/83/556670883.db2.gz HOFJSAZRZFKUQE-NSHDSACASA-N 0 0 448.444 2.819 50 0 IFAARN COc1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)cc1Cl ZINC000011906042 556671262 /nfs/dbraw/zinc/67/12/62/556671262.db2.gz QFUCWVJKKVQWHO-UHFFFAOYSA-N 0 0 444.918 2.524 50 0 IFAARN Cc1ccc(OCC(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011913995 556672709 /nfs/dbraw/zinc/67/27/09/556672709.db2.gz KZOHOCNEOYUHML-CQSZACIVSA-N 0 0 442.331 2.945 50 0 IFAARN COc1cc(CCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc(OC)c1OC ZINC000032930454 556673859 /nfs/dbraw/zinc/67/38/59/556673859.db2.gz HPPWQGFAHRWUQC-IRXDYDNUSA-N 0 0 443.544 2.970 50 0 IFAARN O=C(CCn1ccnc1)Nc1cccc(NC(=O)CCN2C(=O)COc3ccccc32)c1 ZINC000032935148 556677961 /nfs/dbraw/zinc/67/79/61/556677961.db2.gz OGMZBOPGLAKDOM-UHFFFAOYSA-N 0 0 433.468 2.666 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2c(Cl)nc3ccccn32)NC(=O)N[C@@H]1c1ccco1 ZINC000032936182 556678967 /nfs/dbraw/zinc/67/89/67/556678967.db2.gz DAGGBMSUFPMMKL-OAHLLOKOSA-N 0 0 444.831 2.609 50 0 IFAARN Cc1nc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(Cl)cc1Cl ZINC000017747673 556679213 /nfs/dbraw/zinc/67/92/13/556679213.db2.gz QUEFMKBLBYENJA-SRVKXCTJSA-N 0 0 442.299 2.742 50 0 IFAARN O=C1CN(C2CCCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 ZINC000012000219 556679812 /nfs/dbraw/zinc/67/98/12/556679812.db2.gz HRWHBUXJMLSVBR-IRXDYDNUSA-N 0 0 427.364 2.596 50 0 IFAARN C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000010625486 556681619 /nfs/dbraw/zinc/68/16/19/556681619.db2.gz ULRVXFZYPXNCQY-CQSZACIVSA-N 0 0 429.498 2.708 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)s1 ZINC000029268473 556684238 /nfs/dbraw/zinc/68/42/38/556684238.db2.gz PTSNIKCVEDTEQC-UHFFFAOYSA-N 0 0 432.571 2.736 50 0 IFAARN CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)cc1 ZINC000033021076 556685413 /nfs/dbraw/zinc/68/54/13/556685413.db2.gz INOSTWOHCSCWCF-MRXNPFEDSA-N 0 0 443.525 2.619 50 0 IFAARN NC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)C1 ZINC000024146526 556685686 /nfs/dbraw/zinc/68/56/86/556685686.db2.gz GWWUVHUVVVAMOI-OAHLLOKOSA-N 0 0 441.582 2.736 50 0 IFAARN O=C(COC(=O)c1cc2ccccc2c(=O)[nH]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000024174202 556686501 /nfs/dbraw/zinc/68/65/01/556686501.db2.gz OPZXBFOODUVZIF-UHFFFAOYSA-N 0 0 425.872 2.687 50 0 IFAARN C[C@H](OC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000072312592 556687556 /nfs/dbraw/zinc/68/75/56/556687556.db2.gz NLMAQRYIRQMXGR-YBTHPKLGSA-N 0 0 449.385 2.944 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccc(OC)c4)ccn3n2)cc1 ZINC000046005105 556689352 /nfs/dbraw/zinc/68/93/52/556689352.db2.gz XNUNIFQHFRHIKH-UHFFFAOYSA-N 0 0 432.480 2.887 50 0 IFAARN COc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](c3nccn3C)c3ccccc3)C2=O)cc1 ZINC000252508951 556691262 /nfs/dbraw/zinc/69/12/62/556691262.db2.gz XYSLVVZKGZWVOF-CTNGQTDRSA-N 0 0 447.495 2.744 50 0 IFAARN O=C(CC[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000252537273 556691967 /nfs/dbraw/zinc/69/19/67/556691967.db2.gz KVSHUPBYHDXQIB-WOJBJXKFSA-N 0 0 425.460 2.831 50 0 IFAARN CCc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)nnn3[C@@H](C)CC)cc1 ZINC000033023867 556694229 /nfs/dbraw/zinc/69/42/29/556694229.db2.gz YWYUKNYEDYQSOL-INIZCTEOSA-N 0 0 443.573 2.902 50 0 IFAARN O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)s1 ZINC000033024725 556696998 /nfs/dbraw/zinc/69/69/98/556696998.db2.gz WKCZJIMYIRSTLN-CQSZACIVSA-N 0 0 439.497 2.552 50 0 IFAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccccc2F)C1 ZINC000072314579 556702549 /nfs/dbraw/zinc/70/25/49/556702549.db2.gz AFYOYOFNRLTETA-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)CC1 ZINC000033031825 556712583 /nfs/dbraw/zinc/71/25/83/556712583.db2.gz WOUDPISCBGYVKR-UHFFFAOYSA-N 0 0 427.476 2.975 50 0 IFAARN CCOC(=O)c1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)sc2c1CCCCC2 ZINC000013704863 556713547 /nfs/dbraw/zinc/71/35/47/556713547.db2.gz MRZPNHKWNALLFU-UHFFFAOYSA-N 0 0 428.576 2.804 50 0 IFAARN COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@H](CO)c3ccccc3)CC2)cc1 ZINC000013734467 556722440 /nfs/dbraw/zinc/72/24/40/556722440.db2.gz ZGFFZQYJKHFUMH-FQVRHNBASA-N 0 0 446.569 2.630 50 0 IFAARN Cc1cccc(S(=O)(=O)N2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c1 ZINC000033037597 556723384 /nfs/dbraw/zinc/72/33/84/556723384.db2.gz PFLSKFCYRMOEJH-UHFFFAOYSA-N 0 0 442.516 2.581 50 0 IFAARN Cc1ccc(-n2nc(N3CCCN(S(=O)(=O)c4ccccc4)CC3)ccc2=O)cc1C ZINC000033037607 556723391 /nfs/dbraw/zinc/72/33/91/556723391.db2.gz DOGBODVJGNPKLD-UHFFFAOYSA-N 0 0 438.553 2.750 50 0 IFAARN O=C(CSc1nnc(NC2CC2)s1)NCC(=O)Nc1ccccc1Br ZINC000019241339 556726834 /nfs/dbraw/zinc/72/68/34/556726834.db2.gz QJZYFNLUNWPUQA-UHFFFAOYSA-N 0 0 442.364 2.722 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000061720583 556728060 /nfs/dbraw/zinc/72/80/60/556728060.db2.gz TUIYZRQJQKOUDU-UHFFFAOYSA-N 0 0 429.908 2.769 50 0 IFAARN Cc1ccc(CN2c3ccccc3-c3nc(SCC(N)=O)ncc3S2(=O)=O)cc1 ZINC000033039611 556731237 /nfs/dbraw/zinc/73/12/37/556731237.db2.gz IFPKRNFLRPSDMN-UHFFFAOYSA-N 0 0 426.523 2.738 50 0 IFAARN COc1ccc(C(=O)CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)cc1OC ZINC000033039873 556731547 /nfs/dbraw/zinc/73/15/47/556731547.db2.gz YJJIKZJAFRZMBV-UHFFFAOYSA-N 0 0 440.477 2.996 50 0 IFAARN CCOc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc1 ZINC000055071957 556733579 /nfs/dbraw/zinc/73/35/79/556733579.db2.gz MXMRYQYVKMDVMK-UHFFFAOYSA-N 0 0 425.529 2.672 50 0 IFAARN CS(=O)(=O)c1ncc(CN2CCC(C(=O)c3ccccc3)CC2)n1C[C@@H]1CCCO1 ZINC000055074081 556734005 /nfs/dbraw/zinc/73/40/05/556734005.db2.gz MOUNSAVZTVCZQS-FQEVSTJZSA-N 0 0 431.558 2.561 50 0 IFAARN CCCCn1nnnc1COC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000019298071 556734794 /nfs/dbraw/zinc/73/47/94/556734794.db2.gz GQJXNNTUXJXTCJ-CALCHBBNSA-N 0 0 429.521 2.999 50 0 IFAARN NS(=O)(=O)NC[C@H]1CCCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)C1 ZINC000078990429 556736685 /nfs/dbraw/zinc/73/66/85/556736685.db2.gz YLTQFJQVXPVNSK-CQSZACIVSA-N 0 0 435.981 2.685 50 0 IFAARN CC1(C)C[C@@]1(CNC(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1)c1ccccc1 ZINC000055211964 556737969 /nfs/dbraw/zinc/73/79/69/556737969.db2.gz IXBVQJQWCQOLDV-RUZDIDTESA-N 0 0 446.555 2.885 50 0 IFAARN CC1(C)C[C@]1(CNC(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1)c1ccccc1 ZINC000055211965 556737997 /nfs/dbraw/zinc/73/79/97/556737997.db2.gz IXBVQJQWCQOLDV-VWLOTQADSA-N 0 0 446.555 2.885 50 0 IFAARN C[C@@H]1CN(C(=O)c2nc3sccn3c2CN(C)Cc2ccc3nonc3c2)C[C@H](C)O1 ZINC000055211261 556738075 /nfs/dbraw/zinc/73/80/75/556738075.db2.gz DYNKNOSSDRAYER-OKILXGFUSA-N 0 0 440.529 2.813 50 0 IFAARN O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000019335218 556738210 /nfs/dbraw/zinc/73/82/10/556738210.db2.gz NPPXRFMWYOCJIN-SFHVURJKSA-N 0 0 427.888 2.518 50 0 IFAARN CN(CCOc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 ZINC000055254800 556738885 /nfs/dbraw/zinc/73/88/85/556738885.db2.gz YRZZKAHHNXNDTI-HXUWFJFHSA-N 0 0 433.911 2.707 50 0 IFAARN CCc1nnc(SCC(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)o1 ZINC000055310106 556740036 /nfs/dbraw/zinc/74/00/36/556740036.db2.gz JHDMSSUAWNMINF-GOSISDBHSA-N 0 0 429.590 2.846 50 0 IFAARN CCOC(=O)[C@H]1CCCCN1Cc1cnc(S(=O)(=O)C2CCCC2)n1CCCOC ZINC000055360971 556740819 /nfs/dbraw/zinc/74/08/19/556740819.db2.gz KWONNBIKNRPDLW-LJQANCHMSA-N 0 0 441.594 2.554 50 0 IFAARN Cc1cc(C)c(CN2CCN(CC(=O)NCc3ccccc3Cl)S2(=O)=O)c(C)c1 ZINC000033045377 556742210 /nfs/dbraw/zinc/74/22/10/556742210.db2.gz LXGKCQHOWLSXPW-UHFFFAOYSA-N 0 0 435.977 2.944 50 0 IFAARN CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000019356028 556745208 /nfs/dbraw/zinc/74/52/08/556745208.db2.gz HYXBUAICLUUCCG-UHFFFAOYSA-N 0 0 431.514 2.530 50 0 IFAARN COc1cc(C)c(NC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cc1OC ZINC000019356955 556745420 /nfs/dbraw/zinc/74/54/20/556745420.db2.gz MQYDLULCZGLPGD-HNNXBMFYSA-N 0 0 443.525 2.812 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1 ZINC000206237366 556748422 /nfs/dbraw/zinc/74/84/22/556748422.db2.gz RRBXOCIPZLYEQC-MRXNPFEDSA-N 0 0 428.514 2.522 50 0 IFAARN O=C(NC[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1)Nc1cccc(F)c1 ZINC000060369352 556749102 /nfs/dbraw/zinc/74/91/02/556749102.db2.gz PQPRQFBKFDUROV-AEFFLSMTSA-N 0 0 430.524 2.834 50 0 IFAARN CNC(=O)c1ccc(NC(=O)CN[C@@H](c2ccc(OC)c(OC)c2)C(F)(F)F)cc1 ZINC000057996314 556751632 /nfs/dbraw/zinc/75/16/32/556751632.db2.gz GDLRRDPCMOVITD-SFHVURJKSA-N 0 0 425.407 2.895 50 0 IFAARN CCOc1ccc(OCCNC(=O)CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000058018043 556754237 /nfs/dbraw/zinc/75/42/37/556754237.db2.gz WZJPOTOQWQIDFR-SFHVURJKSA-N 0 0 435.565 2.960 50 0 IFAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1NCCCO ZINC000019418261 556755405 /nfs/dbraw/zinc/75/54/05/556755405.db2.gz CYCSTEYZRZZJTC-UHFFFAOYSA-N 0 0 429.546 2.722 50 0 IFAARN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000058110001 556758968 /nfs/dbraw/zinc/75/89/68/556758968.db2.gz RZVUCTKEUMVOKF-QGZVFWFLSA-N 0 0 440.523 2.998 50 0 IFAARN CC(C)C[C@H](C(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000058109744 556759038 /nfs/dbraw/zinc/75/90/38/556759038.db2.gz IXDAFRZVLHQOBE-CTNGQTDRSA-N 0 0 449.507 2.580 50 0 IFAARN C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1ccc2c(c1)CC(=O)N2 ZINC000058156422 556762585 /nfs/dbraw/zinc/76/25/85/556762585.db2.gz GBAMHWZHPWIYFQ-ZDUSSCGKSA-N 0 0 433.555 2.908 50 0 IFAARN Cc1cccn2cc(-c3ccc(NC(=O)N4CCC[C@H](NS(C)(=O)=O)C4)cc3)nc12 ZINC000058157738 556763273 /nfs/dbraw/zinc/76/32/73/556763273.db2.gz AGEIWEQHWAJZTC-SFHVURJKSA-N 0 0 427.530 2.855 50 0 IFAARN CCn1c(CN(C)Cc2ccc(OC)cc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000058160642 556764601 /nfs/dbraw/zinc/76/46/01/556764601.db2.gz PHHRKPSXGUJXQS-UHFFFAOYSA-N 0 0 446.573 2.956 50 0 IFAARN COc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000058161240 556765213 /nfs/dbraw/zinc/76/52/13/556765213.db2.gz IMHOUFHUBGSIME-GOSISDBHSA-N 0 0 431.558 2.646 50 0 IFAARN O=C(c1ccc2c(c1)OCO2)N1CCCN(c2cc(-c3ccc4c(c3)OCO4)[nH]n2)CC1 ZINC000062007402 556765693 /nfs/dbraw/zinc/76/56/93/556765693.db2.gz UIODJVJTWCSJGX-UHFFFAOYSA-N 0 0 434.452 2.887 50 0 IFAARN C[C@H]1CN(Cc2cccc(CNC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c2)CCO1 ZINC000058162297 556765670 /nfs/dbraw/zinc/76/56/70/556765670.db2.gz AAYDAVYVMASOAP-GBXCKJPGSA-N 0 0 435.568 2.615 50 0 IFAARN COCCn1c(-c2ccncc2)nn(CN2CCN(c3ccc(O)cc3)CC2)c1=S ZINC000058163342 556766207 /nfs/dbraw/zinc/76/62/07/556766207.db2.gz IONJJEVRIOQZFP-UHFFFAOYSA-N 0 0 426.546 2.608 50 0 IFAARN Cc1nc(-c2cccc(NC(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cs1 ZINC000058166532 556766739 /nfs/dbraw/zinc/76/67/39/556766739.db2.gz GIGOMAOORFSWGM-KBPBESRZSA-N 0 0 438.575 2.679 50 0 IFAARN CCOc1ccc(NC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)cc1OCC ZINC000005342352 556766918 /nfs/dbraw/zinc/76/69/18/556766918.db2.gz OLOQRFUCCWGTCH-GOSISDBHSA-N 0 0 425.485 2.976 50 0 IFAARN COc1cc(/C=C/C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)ccc1OCC(N)=O ZINC000058177838 556769794 /nfs/dbraw/zinc/76/97/94/556769794.db2.gz AMZYXYGNVSXJEX-PKNBQFBNSA-N 0 0 446.463 2.859 50 0 IFAARN COC(=O)c1sc2[nH]c(CN3CCCc4c(C(=O)OC)cccc43)nc(=O)c2c1C ZINC000058179583 556769980 /nfs/dbraw/zinc/76/99/80/556769980.db2.gz IWYQFXJIGSJNOM-UHFFFAOYSA-N 0 0 427.482 2.819 50 0 IFAARN CCN(C(=O)[C@@H](C)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000058224062 556773573 /nfs/dbraw/zinc/77/35/73/556773573.db2.gz HVICZUBDHPJTFV-QGZVFWFLSA-N 0 0 447.557 2.570 50 0 IFAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000058265356 556776304 /nfs/dbraw/zinc/77/63/04/556776304.db2.gz NKBCEBZYZKAIFC-FQEVSTJZSA-N 0 0 430.530 2.835 50 0 IFAARN Cc1c(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)sc2nc(C3CC3)nc(C)c12 ZINC000058312971 556780096 /nfs/dbraw/zinc/78/00/96/556780096.db2.gz JAKXGQZEVUEUAS-JKSUJKDBSA-N 0 0 448.614 2.567 50 0 IFAARN Cc1ccc(S(=O)(=O)C2(C(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)CCCC2)cc1C ZINC000058314639 556780302 /nfs/dbraw/zinc/78/03/02/556780302.db2.gz MHGCOFCQVWRADG-QFIPXVFZSA-N 0 0 449.661 2.778 50 0 IFAARN CCC(=O)c1ccc(OCC(=O)N(c2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000058391656 556784743 /nfs/dbraw/zinc/78/47/43/556784743.db2.gz BHMRNVHJYRDJOK-SFHVURJKSA-N 0 0 431.510 2.887 50 0 IFAARN CC(C)OCCOC[C@@H](O)CN(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000058401404 556785437 /nfs/dbraw/zinc/78/54/37/556785437.db2.gz QCYAKHFZJSIUPG-SCTDSRPQSA-N 0 0 441.544 2.706 50 0 IFAARN CC(C)(CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccc2c(c1)OCO2 ZINC000058554457 556790029 /nfs/dbraw/zinc/79/00/29/556790029.db2.gz CNIPZVPTABIACK-UHFFFAOYSA-N 0 0 425.528 2.612 50 0 IFAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)N3CCC(c4ccccc4)=N3)C2=O)cc1 ZINC000011182741 556792005 /nfs/dbraw/zinc/79/20/05/556792005.db2.gz MCKIAEXQGVSJDJ-XMMPIXPASA-N 0 0 434.496 2.575 50 0 IFAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000059000277 556794065 /nfs/dbraw/zinc/79/40/65/556794065.db2.gz ZROCOWHAUDFTSN-UHFFFAOYSA-N 0 0 447.366 2.567 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000019537081 556794506 /nfs/dbraw/zinc/79/45/06/556794506.db2.gz XPWLTVBALYQINI-UHFFFAOYSA-N 0 0 439.463 2.929 50 0 IFAARN CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1=O ZINC000011200499 556798318 /nfs/dbraw/zinc/79/83/18/556798318.db2.gz CJEBTKWKVWHYRT-UHFFFAOYSA-N 0 0 432.436 2.667 50 0 IFAARN CCC(=O)Nc1cccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000059363745 556798748 /nfs/dbraw/zinc/79/87/48/556798748.db2.gz LNMBOECNFXRLOK-UHFFFAOYSA-N 0 0 433.505 2.711 50 0 IFAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H](n2cnnn2)CN1C/C=C/c1ccco1 ZINC000059367240 556798792 /nfs/dbraw/zinc/79/87/92/556798792.db2.gz WCZMVNSLXIQHJU-BMCBWADJSA-N 0 0 446.433 2.930 50 0 IFAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1 ZINC000059749675 556803924 /nfs/dbraw/zinc/80/39/24/556803924.db2.gz HCPHFFSQGRIQBS-UHFFFAOYSA-N 0 0 438.594 2.876 50 0 IFAARN CCOC(=O)CCN(Cc1cccnc1)C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC000060166503 556806899 /nfs/dbraw/zinc/80/68/99/556806899.db2.gz UGQDGUGXVZVGTJ-IBGZPJMESA-N 0 0 439.512 2.734 50 0 IFAARN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000060155005 556806956 /nfs/dbraw/zinc/80/69/56/556806956.db2.gz GGKYEAAOHXLHHJ-CYBMUJFWSA-N 0 0 429.439 2.903 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000003313904 556809793 /nfs/dbraw/zinc/80/97/93/556809793.db2.gz SSENDGAUQHYCIZ-UHFFFAOYSA-N 0 0 432.498 2.715 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1 ZINC000061721720 556811263 /nfs/dbraw/zinc/81/12/63/556811263.db2.gz HATWMZPNLIDFFF-UHFFFAOYSA-N 0 0 438.915 2.921 50 0 IFAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5cccs5)CC4)c3CO2)cc1 ZINC000097943617 556813267 /nfs/dbraw/zinc/81/32/67/556813267.db2.gz BIBYPFRENBBHDG-SFHVURJKSA-N 0 0 437.525 2.518 50 0 IFAARN CCCCNC(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)CC1 ZINC000097943703 556813462 /nfs/dbraw/zinc/81/34/62/556813462.db2.gz NFPCQDCQGQLTTR-HXUWFJFHSA-N 0 0 425.533 2.627 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)c1 ZINC000097943863 556814586 /nfs/dbraw/zinc/81/45/86/556814586.db2.gz NDJHRJYMIYTHKZ-DEOSSOPVSA-N 0 0 437.496 2.739 50 0 IFAARN COc1cccc(CC(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2cc(C)ccc2C)C3=O)c1 ZINC000097943891 556814822 /nfs/dbraw/zinc/81/48/22/556814822.db2.gz UTJKLCIWNDTUQD-VWLOTQADSA-N 0 0 435.524 2.968 50 0 IFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)NCc1ccc(F)cc1 ZINC000003425586 556815136 /nfs/dbraw/zinc/81/51/36/556815136.db2.gz PZTNIEACUBHINC-UHFFFAOYSA-N 0 0 448.516 2.864 50 0 IFAARN O=C(Cn1cnc2nc3c(cc2c1=O)CCCC3)NCc1cccc(Br)c1 ZINC000033059783 556816373 /nfs/dbraw/zinc/81/63/73/556816373.db2.gz NXKSNYQOMBUIAU-UHFFFAOYSA-N 0 0 427.302 2.749 50 0 IFAARN C[C@@H]1CCc2nc3ncn(CC(=O)NCc4cccc(Br)c4)c(=O)c3cc2C1 ZINC000033059802 556816527 /nfs/dbraw/zinc/81/65/27/556816527.db2.gz FRELSXYGDRLDKP-CYBMUJFWSA-N 0 0 441.329 2.995 50 0 IFAARN COc1cc(NC(=O)COC(=O)c2cncc(Br)c2)cc(OC)c1OC ZINC000003488597 556816836 /nfs/dbraw/zinc/81/68/36/556816836.db2.gz YPDJMATWDFZZDR-UHFFFAOYSA-N 0 0 425.235 2.665 50 0 IFAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1cccc(C(C)=O)c1 ZINC000060388049 556817434 /nfs/dbraw/zinc/81/74/34/556817434.db2.gz ARWUDZOGSJRELO-HXUWFJFHSA-N 0 0 441.480 2.974 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1 ZINC000033062986 556818521 /nfs/dbraw/zinc/81/85/21/556818521.db2.gz ABNCDJCJHKKCKB-UHFFFAOYSA-N 0 0 446.460 2.712 50 0 IFAARN COc1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(C)cc3)no2)c(OC)c1 ZINC000033062808 556819015 /nfs/dbraw/zinc/81/90/15/556819015.db2.gz HDMAZQJGIOZOGV-UHFFFAOYSA-N 0 0 445.497 2.940 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CCc1nc(CS(=O)(=O)c2ccc(C)cc2)no1 ZINC000033062818 556819027 /nfs/dbraw/zinc/81/90/27/556819027.db2.gz XTTAAACKEQTMHF-UHFFFAOYSA-N 0 0 443.481 2.710 50 0 IFAARN Cc1ccc(CCNC(=O)CCc2nc(CS(=O)(=O)c3ccc(C)cc3)no2)cc1 ZINC000033062841 556819244 /nfs/dbraw/zinc/81/92/44/556819244.db2.gz QDFZWSZUGYJDEZ-UHFFFAOYSA-N 0 0 427.526 2.952 50 0 IFAARN O=C(NCCn1nc(-c2cccnc2)n(C2CC2)c1=O)c1ccccc1Br ZINC000206636970 556823458 /nfs/dbraw/zinc/82/34/58/556823458.db2.gz FZWPFAAJOJALJF-UHFFFAOYSA-N 0 0 428.290 2.634 50 0 IFAARN Cc1cccc(CNC(=O)c2nn(C)c3c2CN(C(=O)COc2ccc(F)cc2)CC3)c1 ZINC000064892982 556828072 /nfs/dbraw/zinc/82/80/72/556828072.db2.gz QZRKDUXNDSTVHR-UHFFFAOYSA-N 0 0 436.487 2.761 50 0 IFAARN COc1ccc(C(=O)N2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)c(OC)c1 ZINC000064893048 556828225 /nfs/dbraw/zinc/82/82/25/556828225.db2.gz HZOGLTIBDCLIAW-UHFFFAOYSA-N 0 0 434.496 2.566 50 0 IFAARN COc1ccc(CC(=O)N2CCc3c(c(C(=O)NCc4ccc(F)cc4)nn3C)C2)cc1 ZINC000064893002 556828240 /nfs/dbraw/zinc/82/82/40/556828240.db2.gz WRZGIWRVESGKPB-UHFFFAOYSA-N 0 0 436.487 2.625 50 0 IFAARN COc1ccc(C(=O)N2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)cc1OC ZINC000064893050 556828258 /nfs/dbraw/zinc/82/82/58/556828258.db2.gz NJUWILCKKBTDIF-UHFFFAOYSA-N 0 0 434.496 2.566 50 0 IFAARN COc1ccccc1OCCNC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1 ZINC000072403977 556829916 /nfs/dbraw/zinc/82/99/16/556829916.db2.gz AUUDMYISVLINGO-UHFFFAOYSA-N 0 0 430.464 2.657 50 0 IFAARN CCCn1c(C)nnc1SCC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OC(C)C ZINC000019630227 556832288 /nfs/dbraw/zinc/83/22/88/556832288.db2.gz XNUDJLRTXCCUKX-UHFFFAOYSA-N 0 0 439.563 2.761 50 0 IFAARN O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)[C@H](c1ccccc1)N1CCCCC1 ZINC000019634546 556834409 /nfs/dbraw/zinc/83/44/09/556834409.db2.gz VCXKDZLDDHHOFA-NRFANRHFSA-N 0 0 441.553 2.886 50 0 IFAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCOCC2)nn1 ZINC000065362581 556834672 /nfs/dbraw/zinc/83/46/72/556834672.db2.gz FJEFZWLWRFZELA-KRWDZBQOSA-N 0 0 434.500 2.680 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3ccnc3)nc(C)n2)CC1 ZINC000065364913 556835654 /nfs/dbraw/zinc/83/56/54/556835654.db2.gz VDCLNOLQVMYPBX-UHFFFAOYSA-N 0 0 427.896 2.987 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000072404412 556836562 /nfs/dbraw/zinc/83/65/62/556836562.db2.gz LAMVWUXGLDKKBH-INIZCTEOSA-N 0 0 430.936 2.885 50 0 IFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000334160590 556836635 /nfs/dbraw/zinc/83/66/35/556836635.db2.gz IEYWBEROUPQPII-RBBKRZOGSA-N 0 0 439.475 2.909 50 0 IFAARN Cc1cc(C)nc(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000334160817 556837005 /nfs/dbraw/zinc/83/70/05/556837005.db2.gz MXKRWDIHDODKDL-LJQANCHMSA-N 0 0 442.566 2.891 50 0 IFAARN CCOC(=O)c1ccc(N2CCCN([C@@H](C)C(=O)Nc3ccccc3OC)CC2)nc1 ZINC000062582673 556838455 /nfs/dbraw/zinc/83/84/55/556838455.db2.gz BXOCSAUOAWNCIY-KRWDZBQOSA-N 0 0 426.517 2.806 50 0 IFAARN COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1CCC2(CC1)OCCO2 ZINC000019644656 556839479 /nfs/dbraw/zinc/83/94/79/556839479.db2.gz HJFRTQGRAIXTAV-UHFFFAOYSA-N 0 0 446.525 2.988 50 0 IFAARN COc1ccc(-c2cc(C(=O)Nc3ccc(OC)nc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000072405389 556840652 /nfs/dbraw/zinc/84/06/52/556840652.db2.gz BOYWVYQYZJUWKI-INIZCTEOSA-N 0 0 442.497 2.574 50 0 IFAARN O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 ZINC000067621257 556844780 /nfs/dbraw/zinc/84/47/80/556844780.db2.gz JWNOBBMZPAAKCH-UHFFFAOYSA-N 0 0 446.536 2.840 50 0 IFAARN Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)nn2)n1 ZINC000067629981 556845020 /nfs/dbraw/zinc/84/50/20/556845020.db2.gz ZHLYNHLWSAWGPJ-UHFFFAOYSA-N 0 0 442.520 2.882 50 0 IFAARN COc1ccccc1C[C@]1(C)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3C)n2)C1=O ZINC000008779805 556846316 /nfs/dbraw/zinc/84/63/16/556846316.db2.gz AFJQGIRNUWTZHX-QHCPKHFHSA-N 0 0 447.499 2.568 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1C(F)(F)F ZINC000008735859 556846434 /nfs/dbraw/zinc/84/64/34/556846434.db2.gz RCUMVTJCFJPNDD-UHFFFAOYSA-N 0 0 444.431 2.987 50 0 IFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O ZINC000008891599 556850989 /nfs/dbraw/zinc/85/09/89/556850989.db2.gz MEPKMXDYDQYIBR-HSZRJFAPSA-N 0 0 438.459 2.747 50 0 IFAARN COCCNc1nc(SC)nc2c1cnn2CCNC(=O)CCCc1ccccc1 ZINC000008943957 556853297 /nfs/dbraw/zinc/85/32/97/556853297.db2.gz AKJPUTQCQYRBBO-UHFFFAOYSA-N 0 0 428.562 2.746 50 0 IFAARN CC1CCN(C(=O)Cn2c(=O)ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)CC1 ZINC000033077276 556854580 /nfs/dbraw/zinc/85/45/80/556854580.db2.gz SHDKBDYKYILWCM-UHFFFAOYSA-N 0 0 445.585 2.681 50 0 IFAARN CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(Br)c1)c1ccc(F)cc1 ZINC000033085137 556855027 /nfs/dbraw/zinc/85/50/27/556855027.db2.gz USSAKRXZTKPMDJ-UHFFFAOYSA-N 0 0 444.326 2.517 50 0 IFAARN Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c2)no1 ZINC000033086514 556857199 /nfs/dbraw/zinc/85/71/99/556857199.db2.gz CMPFTPHVRVXMSZ-UHFFFAOYSA-N 0 0 432.546 2.848 50 0 IFAARN COC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000019706602 556865025 /nfs/dbraw/zinc/86/50/25/556865025.db2.gz HIODVGLDNLFSSX-UHFFFAOYSA-N 0 0 436.512 2.719 50 0 IFAARN O=C(c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)N1CCC2(CC1)OCCO2 ZINC000033131345 556871907 /nfs/dbraw/zinc/87/19/07/556871907.db2.gz NVCHLKIWVRFTOJ-UHFFFAOYSA-N 0 0 442.965 2.884 50 0 IFAARN O=S(=O)(c1cccs1)N1CCN(Cc2nc3cccnc3n2-c2ccccc2)CC1 ZINC000033139381 556874346 /nfs/dbraw/zinc/87/43/46/556874346.db2.gz QVSGPZLYZCWHMP-UHFFFAOYSA-N 0 0 439.566 2.989 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc(C)c(F)c2)c1=O ZINC000033140965 556876740 /nfs/dbraw/zinc/87/67/40/556876740.db2.gz MZAWADAOMRRKIJ-UHFFFAOYSA-N 0 0 445.520 2.716 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(F)ccc2C)c1=O ZINC000033140975 556876758 /nfs/dbraw/zinc/87/67/58/556876758.db2.gz XHCBTGMSOJQZSZ-UHFFFAOYSA-N 0 0 445.520 2.716 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O ZINC000033141011 556877149 /nfs/dbraw/zinc/87/71/49/556877149.db2.gz QORLVVKPDILQDS-UHFFFAOYSA-N 0 0 449.483 2.547 50 0 IFAARN CC(C)n1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccccc2)c1=O ZINC000033141026 556877163 /nfs/dbraw/zinc/87/71/63/556877163.db2.gz KJXHNTMJOWHGRI-UHFFFAOYSA-N 0 0 427.530 2.830 50 0 IFAARN Cc1cccn2c(CN(C)CCN3CCOCC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019740801 556881728 /nfs/dbraw/zinc/88/17/28/556881728.db2.gz XVNIZVPPHPBRAL-UHFFFAOYSA-N 0 0 449.599 2.721 50 0 IFAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000033171033 556881822 /nfs/dbraw/zinc/88/18/22/556881822.db2.gz JJJXCWYOIRZRAB-YVMONPNESA-N 0 0 447.513 2.639 50 0 IFAARN COc1cc(CNS(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)cc(OC)c1OC ZINC000033171276 556882422 /nfs/dbraw/zinc/88/24/22/556882422.db2.gz WTTNTZZQSNGCIM-UHFFFAOYSA-N 0 0 432.454 2.738 50 0 IFAARN CCn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccc4c(c3)OCO4)CC2)c1=O ZINC000033169616 556884656 /nfs/dbraw/zinc/88/46/56/556884656.db2.gz OEZKMPOKYGUWKR-UHFFFAOYSA-N 0 0 435.484 2.936 50 0 IFAARN CCn1c2ccccc2nc(N2CCC(NC(=O)Nc3cccc(C(=O)OC)c3)CC2)c1=O ZINC000033169614 556884757 /nfs/dbraw/zinc/88/47/57/556884757.db2.gz QXTOOQZFTDQWLB-UHFFFAOYSA-N 0 0 449.511 2.994 50 0 IFAARN O=C(c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)N1CCc2ccccc2C1 ZINC000033170010 556885297 /nfs/dbraw/zinc/88/52/97/556885297.db2.gz DCEIEKYVPPTBOR-UHFFFAOYSA-N 0 0 438.509 2.720 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)s1 ZINC000033231563 556888594 /nfs/dbraw/zinc/88/85/94/556888594.db2.gz HIEVSYMEIYXXMT-INIZCTEOSA-N 0 0 436.555 2.588 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000033254550 556890694 /nfs/dbraw/zinc/89/06/94/556890694.db2.gz YSXKHNQZAMXLFM-UHFFFAOYSA-N 0 0 442.585 2.530 50 0 IFAARN COc1ccc(OCC(=O)N(C)CCc2noc(COc3ccc(OC)cc3)n2)cc1 ZINC000033252747 556893227 /nfs/dbraw/zinc/89/32/27/556893227.db2.gz DWZMEJXRJIJBQM-UHFFFAOYSA-N 0 0 427.457 2.746 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)N1CCN(c2cc(N3CCN(C)CC3)ncn2)CC1 ZINC000072117349 556898134 /nfs/dbraw/zinc/89/81/34/556898134.db2.gz LEZOCDDNNJXQTL-UHFFFAOYSA-N 0 0 429.956 2.544 50 0 IFAARN O=C(Cn1nc2ccc(Sc3cccc(F)c3)nn2c1=O)Nc1ccc2c(c1)OCO2 ZINC000033261763 556899633 /nfs/dbraw/zinc/89/96/33/556899633.db2.gz XXWBSOBVEHVAOW-UHFFFAOYSA-N 0 0 439.428 2.549 50 0 IFAARN COc1cccc(NC(=O)Cn2nc3ccc(Sc4cccc(F)c4)nn3c2=O)c1 ZINC000033261776 556899882 /nfs/dbraw/zinc/89/98/82/556899882.db2.gz QCVPQNYZXFUIPO-UHFFFAOYSA-N 0 0 425.445 2.829 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1C ZINC000033262005 556900107 /nfs/dbraw/zinc/90/01/07/556900107.db2.gz AHCYLTLRBWYDOL-HNAYVOBHSA-N 0 0 443.525 2.815 50 0 IFAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)CC1)c1ccccc1 ZINC000033262070 556900260 /nfs/dbraw/zinc/90/02/60/556900260.db2.gz OIYUBZPRIGODLU-OAHLLOKOSA-N 0 0 428.514 2.948 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033263332 556901600 /nfs/dbraw/zinc/90/16/00/556901600.db2.gz JXKDRIBRKLNHRQ-GFCCVEGCSA-N 0 0 435.937 2.822 50 0 IFAARN O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)s1 ZINC000033263385 556901604 /nfs/dbraw/zinc/90/16/04/556901604.db2.gz MKJGWQQDWITLKA-AWEZNQCLSA-N 0 0 427.530 2.701 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000019782531 556914233 /nfs/dbraw/zinc/91/42/33/556914233.db2.gz VYCBPIJLGXTPRF-HXUWFJFHSA-N 0 0 441.915 2.971 50 0 IFAARN O=C1c2ccccc2C(=O)N1CN(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O ZINC000019797657 556916547 /nfs/dbraw/zinc/91/65/47/556916547.db2.gz CDJZJCDVMBOIJC-UHFFFAOYSA-N 0 0 425.444 2.996 50 0 IFAARN CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 ZINC000019797515 556916561 /nfs/dbraw/zinc/91/65/61/556916561.db2.gz YTYHDXDBAXMQJE-NRFANRHFSA-N 0 0 437.544 2.890 50 0 IFAARN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CN1CCOCC1 ZINC000019818046 556920449 /nfs/dbraw/zinc/92/04/49/556920449.db2.gz GMMNGRRRQKADRU-UHFFFAOYSA-N 0 0 439.306 2.875 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1 ZINC000019848472 556930083 /nfs/dbraw/zinc/93/00/83/556930083.db2.gz DKMLIFAWYXLFOX-UHFFFAOYSA-N 0 0 439.850 2.730 50 0 IFAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)nc1C ZINC000019851147 556930495 /nfs/dbraw/zinc/93/04/95/556930495.db2.gz IKFIDOXSMKHXSE-UHFFFAOYSA-N 0 0 433.515 2.860 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)cc1 ZINC000019857852 556931724 /nfs/dbraw/zinc/93/17/24/556931724.db2.gz OOIILCUJLZWAGJ-SFHVURJKSA-N 0 0 430.526 2.962 50 0 IFAARN COC(=O)C1=C(C(=O)OC)N2C(=O)c3ccccc3[C@@H]1N2c1ccc(Br)cc1 ZINC000019872828 556935808 /nfs/dbraw/zinc/93/58/08/556935808.db2.gz BUQCIHVWPJCLKL-INIZCTEOSA-N 0 0 443.253 2.981 50 0 IFAARN O=C1C[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000019877415 556936056 /nfs/dbraw/zinc/93/60/56/556936056.db2.gz DBTAKELPQAOBBR-QGZVFWFLSA-N 0 0 447.413 2.888 50 0 IFAARN COc1cc(CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)ccc1OC(F)F ZINC000020004336 556957754 /nfs/dbraw/zinc/95/77/54/556957754.db2.gz UWOGSMDLPJQPRH-UHFFFAOYSA-N 0 0 426.441 2.702 50 0 IFAARN Nc1nc(CN2CCN(C(=O)c3ccco3)CC2)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000020018843 556963606 /nfs/dbraw/zinc/96/36/06/556963606.db2.gz PCEMFHZTMFGXEL-UHFFFAOYSA-N 0 0 447.421 2.767 50 0 IFAARN COCCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020051696 556974813 /nfs/dbraw/zinc/97/48/13/556974813.db2.gz YORGIHCOMALQEN-UHFFFAOYSA-N 0 0 444.561 2.771 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3cccc(OC)c3OC)C2)cc1 ZINC000020052128 556975075 /nfs/dbraw/zinc/97/50/75/556975075.db2.gz YNALFFOFKCPBSZ-OAQYLSRUSA-N 0 0 439.512 2.722 50 0 IFAARN COc1cccc(CNC(=O)CN2C(=O)C(C)=C(c3ccc(C)c(C)c3)S2(=O)=O)c1 ZINC000033265429 556975851 /nfs/dbraw/zinc/97/58/51/556975851.db2.gz ZRODQEGQZAIHQK-UHFFFAOYSA-N 0 0 428.510 2.531 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CC[C@]3(C2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000097088275 556983624 /nfs/dbraw/zinc/98/36/24/556983624.db2.gz MATRTOAESRKLFL-JOCHJYFZSA-N 0 0 443.887 2.694 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)Cc2cccc(Cl)c2)cc1 ZINC000020138125 556989013 /nfs/dbraw/zinc/98/90/13/556989013.db2.gz KWDWMFVQLIISKQ-UHFFFAOYSA-N 0 0 435.977 2.613 50 0 IFAARN O=S(=O)(c1ccc2ccccc2c1)N(C[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000020150253 556991096 /nfs/dbraw/zinc/99/10/96/556991096.db2.gz NRHAHXFSEJKCFS-JOCHJYFZSA-N 0 0 426.538 2.728 50 0 IFAARN Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)s1 ZINC000097138649 556992073 /nfs/dbraw/zinc/99/20/73/556992073.db2.gz CNJYUQMFUUQPRD-SFHVURJKSA-N 0 0 437.525 2.518 50 0 IFAARN COc1cc(OC)c(C2=CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(OC)c1 ZINC000010672593 556993497 /nfs/dbraw/zinc/99/34/97/556993497.db2.gz FAMKEEMCEDQIOQ-UHFFFAOYSA-N 0 0 447.509 2.962 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000010673354 556993643 /nfs/dbraw/zinc/99/36/43/556993643.db2.gz JBTYPEGEEZWDPG-INIZCTEOSA-N 0 0 441.553 2.950 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000010673340 556993659 /nfs/dbraw/zinc/99/36/59/556993659.db2.gz JBTYPEGEEZWDPG-MRXNPFEDSA-N 0 0 441.553 2.950 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CCOC)cc1 ZINC000020168880 556994652 /nfs/dbraw/zinc/99/46/52/556994652.db2.gz LRGKLWNZUICIFX-IBGZPJMESA-N 0 0 439.468 2.676 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)c(OC)c1 ZINC000020247481 557003131 /nfs/dbraw/zinc/00/31/31/557003131.db2.gz RUHCUUVRHKISQC-UHFFFAOYSA-N 0 0 435.480 2.893 50 0 IFAARN COc1ccc(Cl)cc1-c1noc(C(=O)NCCNC(=O)c2c(F)cccc2F)n1 ZINC000020259390 557004059 /nfs/dbraw/zinc/00/40/59/557004059.db2.gz XVPDLRNFIMFNTC-UHFFFAOYSA-N 0 0 436.802 2.837 50 0 IFAARN COc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)n2-c2ccccc2)cc1OC ZINC000020259133 557004130 /nfs/dbraw/zinc/00/41/30/557004130.db2.gz OWWRPRBHGVIERV-UHFFFAOYSA-N 0 0 437.481 2.857 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3ccc(F)cc3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020283452 557005225 /nfs/dbraw/zinc/00/52/25/557005225.db2.gz VDLDLJCTBSVHMB-QFIPXVFZSA-N 0 0 438.503 2.819 50 0 IFAARN COCCn1nc(C)c(NC(=O)C(=O)NC2(c3ccc(Br)cc3)CC2)c1C ZINC000097229674 557006541 /nfs/dbraw/zinc/00/65/41/557006541.db2.gz JREVSYMXPIHYBB-UHFFFAOYSA-N 0 0 435.322 2.653 50 0 IFAARN Cc1ccc(Cn2ccc(NC(=O)C3=CC(c4cccs4)=NS(=O)(=O)N3C)n2)cc1 ZINC000020367462 557012253 /nfs/dbraw/zinc/01/22/53/557012253.db2.gz RONWOTUEQYJTOY-UHFFFAOYSA-N 0 0 441.538 2.803 50 0 IFAARN Cc1ccc(-c2noc(C(=O)NCCNC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 ZINC000020394196 557013080 /nfs/dbraw/zinc/01/30/80/557013080.db2.gz WSCOJLFPNKIYDR-UHFFFAOYSA-N 0 0 428.876 2.932 50 0 IFAARN Cc1ccc(OCC(=O)NCCNC(=O)c2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000020394877 557013359 /nfs/dbraw/zinc/01/33/59/557013359.db2.gz SKJWSLPBEMFPBW-UHFFFAOYSA-N 0 0 428.876 2.932 50 0 IFAARN COC(=O)c1ccccc1NC(=O)CN1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000020407864 557013785 /nfs/dbraw/zinc/01/37/85/557013785.db2.gz GHMGQBUSHXXGHP-UHFFFAOYSA-N 0 0 449.507 2.644 50 0 IFAARN CN1C(=O)C[C@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)[C@@H]1c1ccccc1 ZINC000020427299 557015666 /nfs/dbraw/zinc/01/56/66/557015666.db2.gz JOCUEBGLTXSEOI-KSSFIOAISA-N 0 0 429.523 2.858 50 0 IFAARN O=C(c1ccccc1SC(F)F)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000023134254 557017128 /nfs/dbraw/zinc/01/71/28/557017128.db2.gz RRKIJFCMMBYARL-UHFFFAOYSA-N 0 0 430.484 2.935 50 0 IFAARN O=C(COc1ccc2ccccc2c1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 ZINC000023134527 557017374 /nfs/dbraw/zinc/01/73/74/557017374.db2.gz QGQJGRPHQFXPLF-UHFFFAOYSA-N 0 0 446.486 2.678 50 0 IFAARN CC[C@@H](C)C(=O)C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000023129643 557017964 /nfs/dbraw/zinc/01/79/64/557017964.db2.gz CYHWKDZTWLHOEJ-WIYYLYMNSA-N 0 0 443.563 2.714 50 0 IFAARN COC(=O)c1c2c(nc3c1c(-c1ccc(F)cc1)nn3[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000023136704 557019038 /nfs/dbraw/zinc/01/90/38/557019038.db2.gz AQPOLSFPIYGRHT-CQSZACIVSA-N 0 0 429.473 2.872 50 0 IFAARN Cc1nn(CCC(=O)Nc2cccc(Br)c2)c(C)c1S(=O)(=O)N(C)C ZINC000046004686 557019356 /nfs/dbraw/zinc/01/93/56/557019356.db2.gz OPEMCZDHEPNEDG-UHFFFAOYSA-N 0 0 429.340 2.542 50 0 IFAARN CCOC(=O)CNC(=O)CSc1nnc(C(C)C)c2cnn(-c3ccc(F)cc3)c21 ZINC000023137728 557019840 /nfs/dbraw/zinc/01/98/40/557019840.db2.gz AFJGCLPJCCFTRA-UHFFFAOYSA-N 0 0 431.493 2.849 50 0 IFAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1c[nH]c2ccccc21 ZINC000010733677 557022023 /nfs/dbraw/zinc/02/20/23/557022023.db2.gz DIQKRDNRNPVEJR-HNNXBMFYSA-N 0 0 442.493 2.617 50 0 IFAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cc(Br)ccc2O)cc1 ZINC000010746281 557023493 /nfs/dbraw/zinc/02/34/93/557023493.db2.gz PVDJFINILVOKQV-UHFFFAOYSA-N 0 0 441.347 2.913 50 0 IFAARN CCn1nc(-c2ccc(C)c(S(=O)(=O)N3CCSCC3)c2)c2c(c1=O)CCCC2 ZINC000046027515 557023641 /nfs/dbraw/zinc/02/36/41/557023641.db2.gz VBIDATROOJJMEU-UHFFFAOYSA-N 0 0 433.599 2.855 50 0 IFAARN O=C(c1ccco1)N1CCN(Cc2cc(=O)n3nc(-c4ccc(F)cc4)sc3n2)CC1 ZINC000046031830 557024684 /nfs/dbraw/zinc/02/46/84/557024684.db2.gz PGGIBWJGHNBPFD-UHFFFAOYSA-N 0 0 439.472 2.508 50 0 IFAARN CCCc1cc(=O)oc2cc(OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)ccc12 ZINC000021619449 557025282 /nfs/dbraw/zinc/02/52/82/557025282.db2.gz OXJYSKPJNTZJDS-KRWDZBQOSA-N 0 0 435.542 2.796 50 0 IFAARN C[C@@H](Sc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)C(=O)NCc1cccs1 ZINC000046047320 557028061 /nfs/dbraw/zinc/02/80/61/557028061.db2.gz LYDMVSGXJBBKKW-GFCCVEGCSA-N 0 0 429.502 2.878 50 0 IFAARN CCOc1ccc(-n2ccn3c(SCC(=O)NCc4ccc(C)cc4)nnc3c2=O)cc1 ZINC000046047821 557028370 /nfs/dbraw/zinc/02/83/70/557028370.db2.gz QNLYJXGXNJAXCM-UHFFFAOYSA-N 0 0 449.536 2.996 50 0 IFAARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cnn(C(C)C)c2n1 ZINC000010808913 557028741 /nfs/dbraw/zinc/02/87/41/557028741.db2.gz KNCXTWWZYZMMBC-UHFFFAOYSA-N 0 0 443.529 2.594 50 0 IFAARN O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccccc1Br ZINC000010834030 557033011 /nfs/dbraw/zinc/03/30/11/557033011.db2.gz AYLMASCJWCDZEZ-ZDUSSCGKSA-N 0 0 427.320 2.670 50 0 IFAARN O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000010833682 557033224 /nfs/dbraw/zinc/03/32/24/557033224.db2.gz KHBHFVJDOPJXRO-AWEZNQCLSA-N 0 0 432.420 2.806 50 0 IFAARN O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000010833677 557033285 /nfs/dbraw/zinc/03/32/85/557033285.db2.gz KHBHFVJDOPJXRO-CQSZACIVSA-N 0 0 432.420 2.806 50 0 IFAARN Cn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000032946770 557034366 /nfs/dbraw/zinc/03/43/66/557034366.db2.gz KVWLHKQXMBUKSG-UHFFFAOYSA-N 0 0 444.460 2.970 50 0 IFAARN O=C(CSc1ncc(CO)n1CC(=O)NCc1ccccc1)Nc1ccc(F)cc1 ZINC000017179192 557038222 /nfs/dbraw/zinc/03/82/22/557038222.db2.gz NDMATVHDFIPHNI-UHFFFAOYSA-N 0 0 428.489 2.562 50 0 IFAARN O=C(CSc1ncc(CO)n1CC(=O)NCc1ccccc1)Nc1cccc(F)c1 ZINC000017179207 557038240 /nfs/dbraw/zinc/03/82/40/557038240.db2.gz NVZKNBGCHKWYLL-UHFFFAOYSA-N 0 0 428.489 2.562 50 0 IFAARN O=C(CSc1nnnn1CCc1cccs1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000010859398 557040947 /nfs/dbraw/zinc/04/09/47/557040947.db2.gz ZXOODMBTVQNTGT-UHFFFAOYSA-N 0 0 428.543 2.600 50 0 IFAARN Cc1cccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)Cc2ccccc2Cl)c1 ZINC000046140769 557042419 /nfs/dbraw/zinc/04/24/19/557042419.db2.gz XECFWNIEAMJETO-UHFFFAOYSA-N 0 0 435.977 2.526 50 0 IFAARN COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000046145282 557043199 /nfs/dbraw/zinc/04/31/99/557043199.db2.gz ZBCDTHWKBNRJBV-UHFFFAOYSA-N 0 0 438.933 2.940 50 0 IFAARN CC(=O)Nc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000046145278 557043305 /nfs/dbraw/zinc/04/33/05/557043305.db2.gz IPERANVNNKHLKP-UHFFFAOYSA-N 0 0 435.933 2.882 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)NC4CCCCCCC4)cc32)no1 ZINC000046145578 557043893 /nfs/dbraw/zinc/04/38/93/557043893.db2.gz NZTPDPIVBAMMQB-UHFFFAOYSA-N 0 0 448.545 2.949 50 0 IFAARN O=C1COc2ccc(S(=O)(=O)NC3CCCCCC3)cc2N1Cc1noc(C2CC2)n1 ZINC000046145601 557044038 /nfs/dbraw/zinc/04/40/38/557044038.db2.gz PPARYEHNFLKHCE-UHFFFAOYSA-N 0 0 446.529 2.874 50 0 IFAARN CCc1cc2c(ncn(NC(=O)CN3C(=S)N=NC3c3ccc(Cl)cc3)c2=O)s1 ZINC000017245799 557044434 /nfs/dbraw/zinc/04/44/34/557044434.db2.gz WIROATDIZNAONN-UHFFFAOYSA-N 0 0 446.945 2.991 50 0 IFAARN CCCCS(=O)(=O)c1cc2c(cc1NC(=O)c1c(F)cccc1F)n(C)c(=O)n2C ZINC000046146183 557044627 /nfs/dbraw/zinc/04/46/27/557044627.db2.gz BKGTVIQDSSTKCN-UHFFFAOYSA-N 0 0 437.468 2.981 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccc(OC)cc1)CCC2 ZINC000010861147 557045609 /nfs/dbraw/zinc/04/56/09/557045609.db2.gz PTFFEFXILWSWDL-UHFFFAOYSA-N 0 0 445.526 2.739 50 0 IFAARN O=C(NCc1cccnc1-n1cncn1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000048234636 557046006 /nfs/dbraw/zinc/04/60/06/557046006.db2.gz RLJANKMSVAQLJZ-OAHLLOKOSA-N 0 0 431.422 2.609 50 0 IFAARN O=C(NCCCNc1ccc(C(F)(F)F)cn1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048235060 557046501 /nfs/dbraw/zinc/04/65/01/557046501.db2.gz IUXAMJGLKHRYMR-HNNXBMFYSA-N 0 0 427.471 2.946 50 0 IFAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)n1 ZINC000048236952 557047609 /nfs/dbraw/zinc/04/76/09/557047609.db2.gz RFNRBQQCVIRMBL-FYSMJZIKSA-N 0 0 437.544 2.641 50 0 IFAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc3nnc(C)n3n2)cc1OC ZINC000033271304 557048831 /nfs/dbraw/zinc/04/88/31/557048831.db2.gz GYRJANOYSZMANH-HNNXBMFYSA-N 0 0 433.472 2.890 50 0 IFAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cnn(C(C)(C)C)c1C ZINC000048261975 557049537 /nfs/dbraw/zinc/04/95/37/557049537.db2.gz ZEWJGPCDIVKTON-UHFFFAOYSA-N 0 0 427.505 2.863 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000048262718 557049974 /nfs/dbraw/zinc/04/99/74/557049974.db2.gz QDBMTCJGDUIWFK-LGVFNWMJSA-N 0 0 444.620 2.520 50 0 IFAARN O=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccccc1OCCn1ccnc1 ZINC000048263170 557050169 /nfs/dbraw/zinc/05/01/69/557050169.db2.gz INXILUANHCUJDY-UHFFFAOYSA-N 0 0 441.538 2.903 50 0 IFAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@H]1c1nnc3n1CCCCC3)C2=O ZINC000048262946 557050221 /nfs/dbraw/zinc/05/02/21/557050221.db2.gz KHEHDZUXPRXRFA-BNGSBABLSA-N 0 0 442.564 2.559 50 0 IFAARN COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1 ZINC000048265354 557050850 /nfs/dbraw/zinc/05/08/50/557050850.db2.gz LUNLACWHQTXAQJ-UHFFFAOYSA-N 0 0 435.488 2.768 50 0 IFAARN Cc1c(NC(=O)CNC(=O)c2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C ZINC000017303404 557051493 /nfs/dbraw/zinc/05/14/93/557051493.db2.gz TVRQQOUAIKVAFD-UHFFFAOYSA-N 0 0 443.301 2.615 50 0 IFAARN COCCCNC(=O)c1ccc(-c2nc(CCN(C)C(=O)c3ccc(F)cc3)no2)cc1 ZINC000033273525 557051722 /nfs/dbraw/zinc/05/17/22/557051722.db2.gz FAVYBVLSZSYTGE-UHFFFAOYSA-N 0 0 440.475 2.957 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)c(OCC)c1 ZINC000017307240 557053511 /nfs/dbraw/zinc/05/35/11/557053511.db2.gz BUHNHBNVOOCYGS-UHFFFAOYSA-N 0 0 443.525 2.686 50 0 IFAARN CCOc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)cc1 ZINC000017307942 557054210 /nfs/dbraw/zinc/05/42/10/557054210.db2.gz QAEFFNQJBWJOGI-UHFFFAOYSA-N 0 0 426.498 2.977 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(C(=O)OC)cn1 ZINC000022963292 557054674 /nfs/dbraw/zinc/05/46/74/557054674.db2.gz JYYISNCNUKAYQD-UHFFFAOYSA-N 0 0 435.502 2.550 50 0 IFAARN Cc1oc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1S(=O)(=O)N1CCCC1 ZINC000048289614 557054787 /nfs/dbraw/zinc/05/47/87/557054787.db2.gz MKCADTJGVDENIE-KRWDZBQOSA-N 0 0 445.541 2.863 50 0 IFAARN Cc1oc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1S(=O)(=O)N1CCCC1 ZINC000048289616 557054818 /nfs/dbraw/zinc/05/48/18/557054818.db2.gz MKCADTJGVDENIE-QGZVFWFLSA-N 0 0 445.541 2.863 50 0 IFAARN C[C@H]1CN(CCNC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC000022971077 557055060 /nfs/dbraw/zinc/05/50/60/557055060.db2.gz VWUDJHINTCWYMF-GJZGRUSLSA-N 0 0 429.521 2.974 50 0 IFAARN CN(Cc1nc2cc(C(=O)N3CCCC3)ccc2n1C)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000033275850 557055368 /nfs/dbraw/zinc/05/53/68/557055368.db2.gz LKONBCRIXXFETM-UHFFFAOYSA-N 0 0 448.495 2.908 50 0 IFAARN Cc1nc2sc(C(=O)OCC(=O)Nc3ccccc3N3CCCC3=O)c(N)c2c(C)n1 ZINC000022977569 557055663 /nfs/dbraw/zinc/05/56/63/557055663.db2.gz GFCYBZWQOGKZKN-UHFFFAOYSA-N 0 0 439.497 2.813 50 0 IFAARN Cc1nn(C)c2ncc(NC(=O)N3CCCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc12 ZINC000048276322 557056290 /nfs/dbraw/zinc/05/62/90/557056290.db2.gz XETBROVUZXTOGK-UHFFFAOYSA-N 0 0 442.545 2.514 50 0 IFAARN CCCn1ccnc1SCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000023006643 557057034 /nfs/dbraw/zinc/05/70/34/557057034.db2.gz FFLHAAMEZBKMLA-UHFFFAOYSA-N 0 0 429.590 2.785 50 0 IFAARN Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)NCc3ccco3)c1)NC(=O)CCC2=O ZINC000033276561 557057165 /nfs/dbraw/zinc/05/71/65/557057165.db2.gz GDDWVENOBWHTJN-UHFFFAOYSA-N 0 0 448.888 2.956 50 0 IFAARN CCS(=O)(=O)N1CCc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2C1 ZINC000017316647 557057287 /nfs/dbraw/zinc/05/72/87/557057287.db2.gz NOUMBBDACRKZLA-UHFFFAOYSA-N 0 0 434.514 2.673 50 0 IFAARN O=C(c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCc2ccccc2C1 ZINC000017321836 557058201 /nfs/dbraw/zinc/05/82/01/557058201.db2.gz CZHFVAYJLWGSMQ-UHFFFAOYSA-N 0 0 448.504 2.856 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3COc4ccccc4O3)CC2)cc1C ZINC000023053407 557059737 /nfs/dbraw/zinc/05/97/37/557059737.db2.gz JCCXSBDDAJKINS-IBGZPJMESA-N 0 0 444.553 2.660 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC(C)C)C3)c2)no1 ZINC000033279220 557059906 /nfs/dbraw/zinc/05/99/06/557059906.db2.gz SDXFUHVNQDMWCM-AWEZNQCLSA-N 0 0 426.564 2.670 50 0 IFAARN C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2Br)C[C@H](C)O1 ZINC000048309600 557059940 /nfs/dbraw/zinc/05/99/40/557059940.db2.gz ZPSQBQIRCKGMAU-GUTXKFCHSA-N 0 0 435.359 2.851 50 0 IFAARN COc1cc(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c(OC)cc1Cl ZINC000048310537 557060558 /nfs/dbraw/zinc/06/05/58/557060558.db2.gz JVDAMOYECSPMHS-HXUWFJFHSA-N 0 0 443.887 2.771 50 0 IFAARN COc1ccccc1N1CCN(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000017333397 557060624 /nfs/dbraw/zinc/06/06/24/557060624.db2.gz HJNAUFDPIGPKBM-UHFFFAOYSA-N 0 0 431.558 2.525 50 0 IFAARN NC(=O)c1ccc(CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C2CC2)cc1 ZINC000048310960 557060983 /nfs/dbraw/zinc/06/09/83/557060983.db2.gz IRQZTTNATHJUDA-UHFFFAOYSA-N 0 0 434.540 2.627 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4nccs4)C3)c2)no1 ZINC000033279118 557061064 /nfs/dbraw/zinc/06/10/64/557061064.db2.gz AFBJYANGAOJBIG-NSHDSACASA-N 0 0 439.544 2.602 50 0 IFAARN Cc1nc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)cs1 ZINC000033279578 557062324 /nfs/dbraw/zinc/06/23/24/557062324.db2.gz FAVYOJNTJBEXTC-OAHLLOKOSA-N 0 0 444.376 2.684 50 0 IFAARN CC(C)(CNC(=O)CSc1nc(C(F)(F)F)nc2ccccc21)N1CCOCC1 ZINC000023080937 557062719 /nfs/dbraw/zinc/06/27/19/557062719.db2.gz ANJHPNDOGNPAGV-UHFFFAOYSA-N 0 0 428.480 2.968 50 0 IFAARN COC[C@@H](O)CN(C)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000048314569 557064734 /nfs/dbraw/zinc/06/47/34/557064734.db2.gz JZWDODWCAAADBU-KRWDZBQOSA-N 0 0 428.558 2.634 50 0 IFAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)C1=O ZINC000023121309 557064778 /nfs/dbraw/zinc/06/47/78/557064778.db2.gz HYVRMOKNTNIKBB-GOSISDBHSA-N 0 0 435.506 2.629 50 0 IFAARN Cc1noc(Cn2cnc3c4cc(C)ccc4n(CC(=O)NC4CCCCC4)c3c2=O)n1 ZINC000033281078 557066867 /nfs/dbraw/zinc/06/68/67/557066867.db2.gz PHLIBGURWPGJTN-UHFFFAOYSA-N 0 0 434.500 2.848 50 0 IFAARN CCNC(=O)COc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2OCC)C(C)C)cc1 ZINC000023139073 557067146 /nfs/dbraw/zinc/06/71/46/557067146.db2.gz AMDYEIDGSQMAKJ-JOCHJYFZSA-N 0 0 441.528 2.993 50 0 IFAARN Cc1nc(CCNC(=O)[C@H]2CSCN2S(=O)(=O)c2cc(C)c(C)cc2C)cs1 ZINC000033282361 557067854 /nfs/dbraw/zinc/06/78/54/557067854.db2.gz PSCDDLIAKRVTCQ-QGZVFWFLSA-N 0 0 439.628 2.799 50 0 IFAARN COc1cc(N2C[C@H](C(=O)Nc3cccc(-c4nnco4)c3)CC2=O)cc(OC)c1OC ZINC000023146665 557068540 /nfs/dbraw/zinc/06/85/40/557068540.db2.gz XTWMPKRIYCZGFQ-CQSZACIVSA-N 0 0 438.440 2.754 50 0 IFAARN CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000048326552 557068782 /nfs/dbraw/zinc/06/87/82/557068782.db2.gz YTIHHVANEXKUQR-UHFFFAOYSA-N 0 0 428.533 2.884 50 0 IFAARN COc1ccc(CN(Cc2nc(Cc3ccccc3)no2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000048326544 557068834 /nfs/dbraw/zinc/06/88/34/557068834.db2.gz GVOZDFUUPMXCGP-IBGZPJMESA-N 0 0 427.526 2.858 50 0 IFAARN Cc1ccccc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(S(C)(=O)=O)cc3)C2)o1 ZINC000033291430 557069322 /nfs/dbraw/zinc/06/93/22/557069322.db2.gz HXQSEABDWCXFDA-CQSZACIVSA-N 0 0 440.481 2.554 50 0 IFAARN O=C(NCc1ccc(F)cc1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000033292280 557070467 /nfs/dbraw/zinc/07/04/67/557070467.db2.gz YBPUCMWPJVPGMS-UHFFFAOYSA-N 0 0 430.461 2.590 50 0 IFAARN CNC(=O)[C@@H]1CN(C(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2O1 ZINC000023174908 557070621 /nfs/dbraw/zinc/07/06/21/557070621.db2.gz XRZRJJKAHISQPI-ZNWBTVJYSA-N 0 0 439.556 2.639 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(F)F)s3)cc2)C[C@H](C)O1 ZINC000048361811 557073339 /nfs/dbraw/zinc/07/33/39/557073339.db2.gz PXOIKHNYSZSKKA-AOOOYVTPSA-N 0 0 432.474 2.526 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1F ZINC000048355326 557073584 /nfs/dbraw/zinc/07/35/84/557073584.db2.gz FCZINFSNMUEQMK-UHFFFAOYSA-N 0 0 426.217 2.729 50 0 IFAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc(-c2cccnc2)on1 ZINC000048368449 557075723 /nfs/dbraw/zinc/07/57/23/557075723.db2.gz ZBCVOBPBYZOTAU-UHFFFAOYSA-N 0 0 435.440 2.653 50 0 IFAARN COc1ccc(-c2noc(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)n2)cc1OC ZINC000033293057 557076072 /nfs/dbraw/zinc/07/60/72/557076072.db2.gz DQJOZLDGDBDUJT-UHFFFAOYSA-N 0 0 448.414 2.837 50 0 IFAARN O=C(c1nnc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3F)c[nH]2)o1)N1CCCC1 ZINC000085808924 557076738 /nfs/dbraw/zinc/07/67/38/557076738.db2.gz NGGLTGFKBJFGGE-UHFFFAOYSA-N 0 0 439.856 2.894 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000023257718 557079863 /nfs/dbraw/zinc/07/98/63/557079863.db2.gz UMGNISCESITPIG-SANMLTNESA-N 0 0 448.567 2.640 50 0 IFAARN CCCn1c(COC(=O)Cc2csc(C)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023274321 557081494 /nfs/dbraw/zinc/08/14/94/557081494.db2.gz MKKIKQKVUGGSBQ-UHFFFAOYSA-N 0 0 436.559 2.747 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)NCCCN1CCOCC1 ZINC000023289047 557082070 /nfs/dbraw/zinc/08/20/70/557082070.db2.gz AKZZHWAXHZXWGO-VWLOTQADSA-N 0 0 446.551 2.942 50 0 IFAARN COC(=O)c1ccc(Cn2nc3c(-c4nc(-c5ccc(C)cc5)no4)cccn3c2=O)o1 ZINC000049006629 557085383 /nfs/dbraw/zinc/08/53/83/557085383.db2.gz MMYUWXMWBWXGFL-UHFFFAOYSA-N 0 0 431.408 2.949 50 0 IFAARN CCS(=O)(=O)Nc1cccc(N2CCC(N[C@H](C(=O)OC)c3ccccc3)CC2)c1 ZINC000023339020 557085550 /nfs/dbraw/zinc/08/55/50/557085550.db2.gz GXUBBIBSLPDJJO-NRFANRHFSA-N 0 0 431.558 2.921 50 0 IFAARN Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)NCCCN3CCOCC3)n2)cc1 ZINC000033307071 557086094 /nfs/dbraw/zinc/08/60/94/557086094.db2.gz IDQDHQVWFRWXBW-UHFFFAOYSA-N 0 0 442.541 2.713 50 0 IFAARN O=C1CCCN1CCCNS(=O)(=O)c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000033307169 557086466 /nfs/dbraw/zinc/08/64/66/557086466.db2.gz DPQPSFADEYCKHC-UHFFFAOYSA-N 0 0 444.488 2.834 50 0 IFAARN COc1ccccc1NC(=O)Cn1nc2c(Oc3ccccc3Cl)nccn2c1=O ZINC000049008689 557086566 /nfs/dbraw/zinc/08/65/66/557086566.db2.gz JJXVTKBOIGPRHO-UHFFFAOYSA-N 0 0 425.832 2.984 50 0 IFAARN COc1cc(NC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)cc(OC)c1 ZINC000049008940 557086913 /nfs/dbraw/zinc/08/69/13/557086913.db2.gz NHCSOGQGYIMJJG-UHFFFAOYSA-N 0 0 443.529 2.972 50 0 IFAARN CCN(CC)c1nc2ccsc2c(=O)n1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000033308749 557089777 /nfs/dbraw/zinc/08/97/77/557089777.db2.gz QRDGETBFGQGAGZ-UHFFFAOYSA-N 0 0 443.548 2.792 50 0 IFAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000023411661 557091365 /nfs/dbraw/zinc/09/13/65/557091365.db2.gz WFGLEYDWCYXWTG-OAQYLSRUSA-N 0 0 433.512 2.593 50 0 IFAARN CCNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O ZINC000049004133 557092274 /nfs/dbraw/zinc/09/22/74/557092274.db2.gz YLYGBDBGCIRZFG-UHFFFAOYSA-N 0 0 442.903 2.766 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c4sc(N5CCCCC5)nc4ncn3c2=O)c(C)c1 ZINC000033309278 557092930 /nfs/dbraw/zinc/09/29/30/557092930.db2.gz NZISFVLCPKFQLD-UHFFFAOYSA-N 0 0 437.529 2.747 50 0 IFAARN CNC(=O)NC(=O)[C@H](OC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000023485299 557094513 /nfs/dbraw/zinc/09/45/13/557094513.db2.gz VSCKWKYVJALGIT-FZKQIMNGSA-N 0 0 447.488 2.626 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2nnnn2-c2ccccc2)c1 ZINC000017530824 557094854 /nfs/dbraw/zinc/09/48/54/557094854.db2.gz XQXWQXPZNKXXMH-UHFFFAOYSA-N 0 0 449.492 2.844 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)cc1OC ZINC000049399222 557095326 /nfs/dbraw/zinc/09/53/26/557095326.db2.gz YTIHWMCQYFAAMQ-UHFFFAOYSA-N 0 0 439.859 2.867 50 0 IFAARN Cc1nc(C2(NC(=O)Cc3c(C)nc4nc(C(F)(F)F)nn4c3C)CCCCC2)no1 ZINC000023508735 557095653 /nfs/dbraw/zinc/09/56/53/557095653.db2.gz KLBLRYLQNHOJDA-UHFFFAOYSA-N 0 0 437.426 2.970 50 0 IFAARN C[C@@H]1CCCN(c2nccn3c(=O)n(CC(=O)Nc4ccc(Br)cc4)nc23)C1 ZINC000049399883 557095664 /nfs/dbraw/zinc/09/56/64/557095664.db2.gz VVRRZBXSRJQZTG-CYBMUJFWSA-N 0 0 445.321 2.529 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)c2cn(C)nc2S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000049400638 557095788 /nfs/dbraw/zinc/09/57/88/557095788.db2.gz COBMQHRUGZHCRU-UHFFFAOYSA-N 0 0 434.562 2.558 50 0 IFAARN COC(=O)c1cn(Cc2cccc(F)c2)nc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000049402186 557097678 /nfs/dbraw/zinc/09/76/78/557097678.db2.gz FSHNOMMRUPTEQF-UHFFFAOYSA-N 0 0 429.473 2.604 50 0 IFAARN COC(=O)c1cn(Cc2c(F)cccc2Cl)nc1S(=O)(=O)N1CCC(C)CC1 ZINC000049402171 557097761 /nfs/dbraw/zinc/09/77/61/557097761.db2.gz WMPAEGUREPJTLZ-UHFFFAOYSA-N 0 0 429.901 2.931 50 0 IFAARN COC(=O)c1ccc(CN2N=C(C(=O)N3CCCCCC3)S(=O)(=O)c3ccccc32)o1 ZINC000049402593 557097979 /nfs/dbraw/zinc/09/79/79/557097979.db2.gz OMVNEJJRGYOXJN-UHFFFAOYSA-N 0 0 445.497 2.576 50 0 IFAARN Cc1ccc2c(c1)N(Cc1cccc(Cl)c1)N=C(C(=O)N1CCOCC1)S2(=O)=O ZINC000049402757 557098278 /nfs/dbraw/zinc/09/82/78/557098278.db2.gz KSBQCAJUWNTFMK-UHFFFAOYSA-N 0 0 433.917 2.615 50 0 IFAARN COc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1S(=O)(=O)N(C)C ZINC000017579910 557098495 /nfs/dbraw/zinc/09/84/95/557098495.db2.gz QOWRQPKFLLXCAN-FQEVSTJZSA-N 0 0 447.538 2.513 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(-c2nccs2)cc1 ZINC000017589909 557099117 /nfs/dbraw/zinc/09/91/17/557099117.db2.gz DJCXBFDBVLVOJC-UHFFFAOYSA-N 0 0 445.522 2.888 50 0 IFAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(F)c(F)c4)CC3)nn2)cc1 ZINC000049406002 557101209 /nfs/dbraw/zinc/10/12/09/557101209.db2.gz XRPFWCPIDBLAQJ-UHFFFAOYSA-N 0 0 425.439 2.889 50 0 IFAARN Cc1cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@H]4C2=O)no1 ZINC000085420761 557101562 /nfs/dbraw/zinc/10/15/62/557101562.db2.gz HIRQDSRUPIDXSW-VERUCKTNSA-N 0 0 434.279 2.893 50 0 IFAARN Cc1cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@H]4C2=O)no1 ZINC000085420743 557101609 /nfs/dbraw/zinc/10/16/09/557101609.db2.gz DIWBIBLNZXIFIW-VERUCKTNSA-N 0 0 434.279 2.893 50 0 IFAARN Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4F)CC3)nn2)ccc1F ZINC000049406493 557101942 /nfs/dbraw/zinc/10/19/42/557101942.db2.gz PEXGIHAAURUZNX-UHFFFAOYSA-N 0 0 425.439 2.889 50 0 IFAARN CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@]12c1cc(C)ccc1NC2=O ZINC000085425666 557102011 /nfs/dbraw/zinc/10/20/11/557102011.db2.gz HDMOEFCHVLJEEY-DEOSSOPVSA-N 0 0 430.464 2.853 50 0 IFAARN COc1ccc(OCCN2CCN(C(=O)Cc3cc(C(C)=O)ccc3OC)CC2)cc1 ZINC000023641190 557102186 /nfs/dbraw/zinc/10/21/86/557102186.db2.gz TUDSKYVQCSCWQH-UHFFFAOYSA-N 0 0 426.513 2.672 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(C(=O)C[C@H](C)NC(=O)c3ccccc3)CC2)c1C ZINC000017603094 557102724 /nfs/dbraw/zinc/10/27/24/557102724.db2.gz HPKBFUFJFQANII-IBGZPJMESA-N 0 0 436.556 2.595 50 0 IFAARN COc1ccc(-c2noc(Cn3ccn(-c4cc(C)cc(C)c4)c(=O)c3=O)n2)cc1OC ZINC000049407722 557102817 /nfs/dbraw/zinc/10/28/17/557102817.db2.gz YJZWUIPQHGLITM-UHFFFAOYSA-N 0 0 434.452 2.732 50 0 IFAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3cccnc3)C2)c(C)c1C(=O)OC(C)C ZINC000085621357 557102895 /nfs/dbraw/zinc/10/28/95/557102895.db2.gz FCBDVQCQDJGVTF-GOSISDBHSA-N 0 0 426.517 2.760 50 0 IFAARN Cc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)c(Cl)c1 ZINC000049409154 557104078 /nfs/dbraw/zinc/10/40/78/557104078.db2.gz RVXITCIXCZHAPI-UHFFFAOYSA-N 0 0 437.949 2.869 50 0 IFAARN O=C(Cn1cccc(S(=O)(=O)N2CCCCC2)c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000049409036 557104094 /nfs/dbraw/zinc/10/40/94/557104094.db2.gz SBFWWJDRHMIWOI-UHFFFAOYSA-N 0 0 444.340 2.968 50 0 IFAARN Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)n1 ZINC000585147301 557104578 /nfs/dbraw/zinc/10/45/78/557104578.db2.gz QTUFOCMOFGCKNT-LJQANCHMSA-N 0 0 444.557 2.562 50 0 IFAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(CN2C(=O)CC3(CCCCC3)C2=O)CC1 ZINC000023673580 557104966 /nfs/dbraw/zinc/10/49/66/557104966.db2.gz KMEAZBYJTCACRH-UHFFFAOYSA-N 0 0 427.501 2.733 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000585147554 557105054 /nfs/dbraw/zinc/10/50/54/557105054.db2.gz QRMKPIOYKHVLDY-UHFFFAOYSA-N 0 0 446.504 2.755 50 0 IFAARN Cc1cc(C)n2nc(C(=O)N3CCC(Cn4nc(-c5ccccc5)ccc4=O)CC3)nc2n1 ZINC000585147544 557105069 /nfs/dbraw/zinc/10/50/69/557105069.db2.gz NHZQFUSZCSBBQQ-UHFFFAOYSA-N 0 0 443.511 2.517 50 0 IFAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)C2=O ZINC000023674655 557105386 /nfs/dbraw/zinc/10/53/86/557105386.db2.gz BMPBHAKRMSTRSE-IQMFZBJNSA-N 0 0 442.516 2.524 50 0 IFAARN COc1cccc2cc(C(=O)NCCN3c4ccccc4N(C4CC4)S3(=O)=O)oc21 ZINC000585147594 557105476 /nfs/dbraw/zinc/10/54/76/557105476.db2.gz BPZOFGFZHVJBGC-UHFFFAOYSA-N 0 0 427.482 2.905 50 0 IFAARN COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(C)ccc2N3C)cc(OC)c1OC ZINC000049410025 557105535 /nfs/dbraw/zinc/10/55/35/557105535.db2.gz LKXJNVJJDIKGNB-UHFFFAOYSA-N 0 0 439.512 2.833 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000023681106 557105934 /nfs/dbraw/zinc/10/59/34/557105934.db2.gz QXDGBTLUKVWMQR-YLJYHZDGSA-N 0 0 437.587 2.562 50 0 IFAARN Cc1nc(COc2ccccc2C(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)no1 ZINC000023693012 557107093 /nfs/dbraw/zinc/10/70/93/557107093.db2.gz ILKDSSZLTXRARZ-UHFFFAOYSA-N 0 0 449.511 2.662 50 0 IFAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000023694606 557107238 /nfs/dbraw/zinc/10/72/38/557107238.db2.gz XPXQOWJDVMEZKM-CQSZACIVSA-N 0 0 425.876 2.866 50 0 IFAARN CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@]3(CCCC[C@@H]3C)C1=O)O[C@@H](C)C2 ZINC000023701091 557107697 /nfs/dbraw/zinc/10/76/97/557107697.db2.gz MJKFMUXNDIJRQZ-NPGVVQFXSA-N 0 0 429.517 2.526 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000023706451 557108232 /nfs/dbraw/zinc/10/82/32/557108232.db2.gz LXMKFXZBNHTEDG-SFHVURJKSA-N 0 0 444.963 2.737 50 0 IFAARN COc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3C)n2)cc1 ZINC000049421677 557108457 /nfs/dbraw/zinc/10/84/57/557108457.db2.gz ZADHJGQRJUXQHZ-UHFFFAOYSA-N 0 0 447.900 2.685 50 0 IFAARN Cc1cc(S(=O)(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c(Cl)cc1Cl ZINC000049482774 557109626 /nfs/dbraw/zinc/10/96/26/557109626.db2.gz QQZGQHOPRJMADJ-UHFFFAOYSA-N 0 0 426.285 2.930 50 0 IFAARN CC(=O)Nc1ccc(CC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 ZINC000011358026 557110931 /nfs/dbraw/zinc/11/09/31/557110931.db2.gz VIJBVARSSGPDMT-UHFFFAOYSA-N 0 0 427.482 2.898 50 0 IFAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)n1 ZINC000049545835 557111511 /nfs/dbraw/zinc/11/15/11/557111511.db2.gz VWKOQTYFQVWEHI-UHFFFAOYSA-N 0 0 443.431 2.723 50 0 IFAARN COC(=O)c1cn(CC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc12 ZINC000023745203 557114044 /nfs/dbraw/zinc/11/40/44/557114044.db2.gz WVWUEUHBRVGQES-IBGZPJMESA-N 0 0 427.526 2.679 50 0 IFAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3cnn(-c4ccccc4)n3)cc2C1 ZINC000049511545 557114126 /nfs/dbraw/zinc/11/41/26/557114126.db2.gz KHYNCNZAGOJAMG-UHFFFAOYSA-N 0 0 425.514 2.618 50 0 IFAARN Cc1ccc(Cn2ccc(=O)n(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 ZINC000033330905 557114664 /nfs/dbraw/zinc/11/46/64/557114664.db2.gz KQZKIAQGIMJZRH-UHFFFAOYSA-N 0 0 428.286 2.768 50 0 IFAARN CC(C)c1ccc2[nH]c(=O)c(CCNS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2c1 ZINC000049597388 557114848 /nfs/dbraw/zinc/11/48/48/557114848.db2.gz SMLDFQYAMBHQJO-UHFFFAOYSA-N 0 0 427.482 2.607 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000023786690 557116092 /nfs/dbraw/zinc/11/60/92/557116092.db2.gz CJYBBMMESSESBI-LJQANCHMSA-N 0 0 429.542 2.791 50 0 IFAARN COc1ccc2c(c1)CCC[C@@]21NC(=O)N(CN(C)CCOc2ccc(F)cc2)C1=O ZINC000049581085 557116264 /nfs/dbraw/zinc/11/62/64/557116264.db2.gz UWJWNPUFMRQCMV-HSZRJFAPSA-N 0 0 427.476 2.886 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C)cc2)C1 ZINC000049693984 557118005 /nfs/dbraw/zinc/11/80/05/557118005.db2.gz LUBBNWBFDKORKQ-XSSIKURBSA-N 0 0 446.573 2.541 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C)C1 ZINC000049693990 557118077 /nfs/dbraw/zinc/11/80/77/557118077.db2.gz WSOXJAMJMMMBJG-HVJHFUJKSA-N 0 0 432.546 2.863 50 0 IFAARN Cc1cccc(-n2nnnc2SCC(=O)NCC2(N3CCOCC3)CCCCC2)c1C ZINC000023818906 557118673 /nfs/dbraw/zinc/11/86/73/557118673.db2.gz BDHCJCVKRNFVCH-UHFFFAOYSA-N 0 0 444.605 2.523 50 0 IFAARN COC(=O)C[C@]1(C(=O)OC)Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 ZINC000585157921 557119305 /nfs/dbraw/zinc/11/93/05/557119305.db2.gz MQTWLMUGRYCDMF-DEOSSOPVSA-N 0 0 448.479 2.910 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1C(=O)C(=O)N(C(C)C)C1=O)CC2 ZINC000023842243 557119519 /nfs/dbraw/zinc/11/95/19/557119519.db2.gz WWPPTHJHKWRQKP-OAQYLSRUSA-N 0 0 437.496 2.808 50 0 IFAARN O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2ccsc2)CC1 ZINC000023845612 557119813 /nfs/dbraw/zinc/11/98/13/557119813.db2.gz JIDKQQYHDZWKCN-KRWDZBQOSA-N 0 0 439.628 2.555 50 0 IFAARN CSCc1ccc(S(=O)(=O)Oc2ccc(C(=O)Cn3c(C)nn(C)c3=N)cc2)cc1 ZINC000023865310 557121251 /nfs/dbraw/zinc/12/12/51/557121251.db2.gz URGBDVRIAKVXIR-UHFFFAOYSA-N 0 0 446.554 2.523 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023882458 557123121 /nfs/dbraw/zinc/12/31/21/557123121.db2.gz YCFFDFZLONLHIW-UHFFFAOYSA-N 0 0 429.567 2.805 50 0 IFAARN O[C@H](CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1)CN1CCOCC1 ZINC000225099246 557123690 /nfs/dbraw/zinc/12/36/90/557123690.db2.gz YMVKTNYDQYXEBY-XZOQPEGZSA-N 0 0 427.520 2.514 50 0 IFAARN COc1ccc(-c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c3ccccc3n2)cc1 ZINC000017815780 557124239 /nfs/dbraw/zinc/12/42/39/557124239.db2.gz LJIZXFRSVRCKTO-UHFFFAOYSA-N 0 0 425.510 2.628 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791568 557124392 /nfs/dbraw/zinc/12/43/92/557124392.db2.gz XTFYPXUCKYPXKT-UHFFFAOYSA-N 0 0 443.459 2.591 50 0 IFAARN O=C(Cc1ccc(Br)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000017846560 557125929 /nfs/dbraw/zinc/12/59/29/557125929.db2.gz ZATOMOGHDVABFG-UHFFFAOYSA-N 0 0 437.359 2.666 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)NC(=O)CCS3)C1=O ZINC000023945728 557126855 /nfs/dbraw/zinc/12/68/55/557126855.db2.gz YMVOYNQEVHXCCF-QFIPXVFZSA-N 0 0 438.509 2.709 50 0 IFAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023956192 557127711 /nfs/dbraw/zinc/12/77/11/557127711.db2.gz MNCFZXUPKATHPQ-MRXNPFEDSA-N 0 0 441.578 2.908 50 0 IFAARN O=S(=O)(Cc1ccco1)[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000206695558 557128991 /nfs/dbraw/zinc/12/89/91/557128991.db2.gz AMBRUHDCHOCZSG-HNNXBMFYSA-N 0 0 439.433 2.556 50 0 IFAARN CCC(=O)N(c1nnc(SCCC(=O)NC(=O)NCc2ccccc2)s1)C1CC1 ZINC000024745972 557132871 /nfs/dbraw/zinc/13/28/71/557132871.db2.gz QOALRIJGYZSPPS-UHFFFAOYSA-N 0 0 433.559 2.952 50 0 IFAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)NCCSc3ccccc3)C2=O)cc1 ZINC000024105656 557137341 /nfs/dbraw/zinc/13/73/41/557137341.db2.gz NQQOGDDGKZMTMT-HSZRJFAPSA-N 0 0 441.553 2.847 50 0 IFAARN COc1cc(OC)nc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)n1 ZINC000011385118 557137480 /nfs/dbraw/zinc/13/74/80/557137480.db2.gz JETKBIIUWJVMPU-UHFFFAOYSA-N 0 0 426.502 2.742 50 0 IFAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000024143468 557138658 /nfs/dbraw/zinc/13/86/58/557138658.db2.gz AYLMHDHOQBYMSA-UHFFFAOYSA-N 0 0 429.605 2.960 50 0 IFAARN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000024177553 557139654 /nfs/dbraw/zinc/13/96/54/557139654.db2.gz UBBPORSLYSFJCD-JOCHJYFZSA-N 0 0 438.524 2.974 50 0 IFAARN C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)NC1CCCC1 ZINC000011411113 557142609 /nfs/dbraw/zinc/14/26/09/557142609.db2.gz BYJDXJXPQPCIIY-AWEZNQCLSA-N 0 0 426.510 2.604 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)COC(=O)c1cc(Cl)c3c(c1)OCCO3)OCO2 ZINC000024272136 557142702 /nfs/dbraw/zinc/14/27/02/557142702.db2.gz YSJLZOPWGSDIHN-UHFFFAOYSA-N 0 0 433.800 2.838 50 0 IFAARN NC(=O)N[C@@H](CC(=O)N1CCC(C(=O)NCc2ccccc2)CC1)c1ccccc1Cl ZINC000024285851 557143303 /nfs/dbraw/zinc/14/33/03/557143303.db2.gz YUTMVVPSZKADCU-FQEVSTJZSA-N 0 0 442.947 2.995 50 0 IFAARN C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)NC1CCCCC1 ZINC000011412164 557144141 /nfs/dbraw/zinc/14/41/41/557144141.db2.gz QSBFSYWUEZZGHQ-OAHLLOKOSA-N 0 0 440.537 2.995 50 0 IFAARN CCCc1cc(=O)[nH]c(SCC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)n1 ZINC000011438603 557147728 /nfs/dbraw/zinc/14/77/28/557147728.db2.gz APMQGRZANZLUHK-UHFFFAOYSA-N 0 0 432.521 2.917 50 0 IFAARN CS(=O)(=O)c1ccccc1C(=O)OCc1cc2c(cc1Br)OCCO2 ZINC000024477532 557148129 /nfs/dbraw/zinc/14/81/29/557148129.db2.gz IOOGUJDVTZZEMB-UHFFFAOYSA-N 0 0 427.272 2.981 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000024592929 557152193 /nfs/dbraw/zinc/15/21/93/557152193.db2.gz OPALYRCAXPRTSU-QGZVFWFLSA-N 0 0 437.496 2.525 50 0 IFAARN Cn1c2nc3n(cc(-c4ccc(Cl)cc4)n3C[C@H](O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000000720377 557152352 /nfs/dbraw/zinc/15/23/52/557152352.db2.gz SOXULTFYCWMQCJ-SFHVURJKSA-N 0 0 449.898 2.740 50 0 IFAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000024609055 557154376 /nfs/dbraw/zinc/15/43/76/557154376.db2.gz ZWAJRWGSLAYYHC-UHFFFAOYSA-N 0 0 430.526 2.947 50 0 IFAARN O=C(C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000024609812 557154462 /nfs/dbraw/zinc/15/44/62/557154462.db2.gz VEQOSOHHKCSUKL-UHFFFAOYSA-N 0 0 445.560 2.716 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCN(c4nccs4)CC3)cc2)c1C ZINC000024824298 557154995 /nfs/dbraw/zinc/15/49/95/557154995.db2.gz RIJWWONXYJBYFP-UHFFFAOYSA-N 0 0 425.514 2.776 50 0 IFAARN CCc1ccc(OC[C@@H](O)Cn2c(SCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000727073 557156773 /nfs/dbraw/zinc/15/67/73/557156773.db2.gz VSFXMJBHPGIZBR-INIZCTEOSA-N 0 0 446.573 2.564 50 0 IFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc2)c1C ZINC000024652107 557157387 /nfs/dbraw/zinc/15/73/87/557157387.db2.gz ZIVGSGVDAYMZDM-UHFFFAOYSA-N 0 0 445.479 2.866 50 0 IFAARN Cc1cc(=O)oc2cc(OCC(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)ccc12 ZINC000011525976 557159066 /nfs/dbraw/zinc/15/90/66/557159066.db2.gz HLJXIEBYCDLTRP-UHFFFAOYSA-N 0 0 449.507 2.700 50 0 IFAARN Cc1c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cnn1-c1cccc(Cl)c1 ZINC000024741139 557160976 /nfs/dbraw/zinc/16/09/76/557160976.db2.gz RNQCUISCZHOREW-UHFFFAOYSA-N 0 0 429.908 2.819 50 0 IFAARN COc1ccc(-c2ccc(S(=O)(=O)NC(C)C)cc2)c(S(=O)(=O)NC(C)C)c1 ZINC000095946016 557162403 /nfs/dbraw/zinc/16/24/03/557162403.db2.gz WOATUUQFEVHCLW-UHFFFAOYSA-N 0 0 426.560 2.736 50 0 IFAARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc2c(c1)nn(C)c2OC ZINC000206799305 557164140 /nfs/dbraw/zinc/16/41/40/557164140.db2.gz UWIJVAFDRWHBEB-KSSFIOAISA-N 0 0 427.432 2.556 50 0 IFAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)c12 ZINC000024760144 557164276 /nfs/dbraw/zinc/16/42/76/557164276.db2.gz JDKSUENPTBEUHK-UHFFFAOYSA-N 0 0 427.530 2.965 50 0 IFAARN O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000024763158 557164525 /nfs/dbraw/zinc/16/45/25/557164525.db2.gz WXPFKUVYVKLCHM-UHFFFAOYSA-N 0 0 426.498 2.706 50 0 IFAARN COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(Cl)ccc1OC ZINC000206805440 557165278 /nfs/dbraw/zinc/16/52/78/557165278.db2.gz VOQOJYNVSFIOQW-UKRRQHHQSA-N 0 0 443.880 2.871 50 0 IFAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)NCc1ccc(OC)c(OC)c1 ZINC000206804431 557165328 /nfs/dbraw/zinc/16/53/28/557165328.db2.gz HGIKJZOCAJMUNE-WBVHZDCISA-N 0 0 432.448 2.747 50 0 IFAARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccccc1S(=O)(=O)C(F)F ZINC000206843867 557166338 /nfs/dbraw/zinc/16/63/38/557166338.db2.gz YFEOXAQLEFGRLK-AWEZNQCLSA-N 0 0 449.435 2.972 50 0 IFAARN CC(C)CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 ZINC000024776295 557166652 /nfs/dbraw/zinc/16/66/52/557166652.db2.gz UGUDPZNWHIMZEY-UHFFFAOYSA-N 0 0 436.622 2.988 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@@H](Oc4cc(C)oc(=O)c4)C3)n(C)n2)c1 ZINC000206964415 557168073 /nfs/dbraw/zinc/16/80/73/557168073.db2.gz ZGKAEIIDDWSZHS-MRXNPFEDSA-N 0 0 439.468 2.659 50 0 IFAARN CCOC(=O)C1=C(CSc2nnnn2-c2cccc(C)c2)NC(=O)N[C@@H]1c1ccco1 ZINC000018476911 557169823 /nfs/dbraw/zinc/16/98/23/557169823.db2.gz LHWYUUDGRSRIRO-QGZVFWFLSA-N 0 0 440.485 2.527 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000024831454 557170556 /nfs/dbraw/zinc/17/05/56/557170556.db2.gz FYYNIQQDEDISAP-JOCHJYFZSA-N 0 0 445.585 2.520 50 0 IFAARN C[C@@]1(CSc2ccccc2C(=O)NCCCn2cnc3ccccc32)NC(=O)NC1=O ZINC000024835927 557171933 /nfs/dbraw/zinc/17/19/33/557171933.db2.gz HIVDSQXAWBRYGZ-QFIPXVFZSA-N 0 0 437.525 2.547 50 0 IFAARN CCOC(=O)C1=C(CSc2nnnn2C(C)C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000024835031 557171939 /nfs/dbraw/zinc/17/19/39/557171939.db2.gz NUIMEBYDWCRHKF-HNNXBMFYSA-N 0 0 436.925 2.871 50 0 IFAARN CC[C@H](OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)C(=O)Nc1ccccc1 ZINC000024835010 557171963 /nfs/dbraw/zinc/17/19/63/557171963.db2.gz LWJFPYFQENRSAP-INIZCTEOSA-N 0 0 445.522 2.872 50 0 IFAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCn1ccc3ccc(F)cc31)C=C2 ZINC000217725462 557173245 /nfs/dbraw/zinc/17/32/45/557173245.db2.gz NHADJISSAXJNTE-UHFFFAOYSA-N 0 0 437.471 2.969 50 0 IFAARN O=C(CCN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)Nc1ccccc1Cl ZINC000024854452 557174189 /nfs/dbraw/zinc/17/41/89/557174189.db2.gz WHJLHAVXZBUIPG-UHFFFAOYSA-N 0 0 443.903 2.953 50 0 IFAARN CCCCc1noc([C@@H](C)Sc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000024866133 557175558 /nfs/dbraw/zinc/17/55/58/557175558.db2.gz XONHKBOXCGSTQE-LLVKDONJSA-N 0 0 432.550 2.904 50 0 IFAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C1 ZINC000024870085 557175696 /nfs/dbraw/zinc/17/56/96/557175696.db2.gz DXMJSDPLMTZQAK-LJQANCHMSA-N 0 0 446.507 2.813 50 0 IFAARN CN(C(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O)[C@@H]1CCCc2ccccc21 ZINC000024880215 557176650 /nfs/dbraw/zinc/17/66/50/557176650.db2.gz OMNICZKCIXGDNU-CLOONOSVSA-N 0 0 449.507 2.804 50 0 IFAARN Cc1ccc(-c2nnc3n(CCCc4ccccc4)c4c(n23)n(C)c(=O)n(C)c4=O)cc1 ZINC000010969734 557180981 /nfs/dbraw/zinc/18/09/81/557180981.db2.gz FFBOYPYAPINUKD-UHFFFAOYSA-N 0 0 428.496 2.690 50 0 IFAARN CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(C)c3)CC2)N1C(=O)c1ccco1 ZINC000096210128 557182974 /nfs/dbraw/zinc/18/29/74/557182974.db2.gz RGIBAAKGJBQZGY-LJQANCHMSA-N 0 0 439.512 2.588 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1c1cc(OC)ccc1OC ZINC000096211452 557183580 /nfs/dbraw/zinc/18/35/80/557183580.db2.gz OBUZLHDSOKDIAS-WOJBJXKFSA-N 0 0 444.503 2.851 50 0 IFAARN COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 ZINC000024974612 557184387 /nfs/dbraw/zinc/18/43/87/557184387.db2.gz MNUAOVFMXDIKBH-RDTXWAMCSA-N 0 0 437.448 2.898 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000009262607 557184475 /nfs/dbraw/zinc/18/44/75/557184475.db2.gz CAMPRBSEOONFFV-UHFFFAOYSA-N 0 0 426.498 2.989 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)NCc1ccc2c(c1)OCCO2 ZINC000024975042 557184634 /nfs/dbraw/zinc/18/46/34/557184634.db2.gz OMJJLGIHPBEBCS-UHFFFAOYSA-N 0 0 434.290 2.967 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCc4ccccc43)n2C)cc1 ZINC000009263582 557184957 /nfs/dbraw/zinc/18/49/57/557184957.db2.gz IQESHNVWZJMNSW-UHFFFAOYSA-N 0 0 437.525 2.686 50 0 IFAARN Cc1cn2c(CC(=O)Nc3ccc(S(=O)(=O)NCC(F)(F)F)cc3)csc2n1 ZINC000024979026 557185206 /nfs/dbraw/zinc/18/52/06/557185206.db2.gz WHSYEIJYTARUDV-UHFFFAOYSA-N 0 0 432.449 2.726 50 0 IFAARN COc1ccc(CN2CCN(CC(=O)N(C)Cc3ccsc3)CC2)c(OC)c1OC ZINC000024980333 557185294 /nfs/dbraw/zinc/18/52/94/557185294.db2.gz YEDWLORFJPEETH-UHFFFAOYSA-N 0 0 433.574 2.550 50 0 IFAARN C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000024984744 557185840 /nfs/dbraw/zinc/18/58/40/557185840.db2.gz UHVMLKFNIWZAAX-DNVCBOLYSA-N 0 0 430.530 2.777 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1 ZINC000024992018 557188064 /nfs/dbraw/zinc/18/80/64/557188064.db2.gz VKUCEFRZIPXLET-UHFFFAOYSA-N 0 0 431.466 2.886 50 0 IFAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cc1S(=O)(=O)N(C)C ZINC000025029415 557189683 /nfs/dbraw/zinc/18/96/83/557189683.db2.gz UWZWKJWDJYMKCS-UHFFFAOYSA-N 0 0 443.529 2.665 50 0 IFAARN CC(=O)Nc1cccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000025046919 557190594 /nfs/dbraw/zinc/19/05/94/557190594.db2.gz KJVYCPKINFYDST-UHFFFAOYSA-N 0 0 430.530 2.870 50 0 IFAARN CCn1c(CC(=O)Nc2nccs2)nnc1SCC(=O)N1CCc2ccccc21 ZINC000009583056 557190696 /nfs/dbraw/zinc/19/06/96/557190696.db2.gz JPAYWCJOWLXIFE-UHFFFAOYSA-N 0 0 428.543 2.617 50 0 IFAARN CN(CC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000025054822 557192157 /nfs/dbraw/zinc/19/21/57/557192157.db2.gz XKEMCDMAZHRYOJ-UHFFFAOYSA-N 0 0 442.440 2.709 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4ccccc4n3C)cc2)C[C@H](C)O1 ZINC000100853533 557192874 /nfs/dbraw/zinc/19/28/74/557192874.db2.gz MFFXAQYGQHWLAY-MHWUSFCKSA-N 0 0 445.566 2.779 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1S[C@@H](C)c1nc(C)no1 ZINC000025060713 557193136 /nfs/dbraw/zinc/19/31/36/557193136.db2.gz UVSVVGZSCXTSQA-LBPRGKRZSA-N 0 0 437.547 2.622 50 0 IFAARN COc1ccc(-c2cc(CN3CCN(S(=O)(=O)c4cccc(F)c4)CC3)on2)cc1 ZINC000025064420 557193940 /nfs/dbraw/zinc/19/39/40/557193940.db2.gz WKPNZTJSMGWTLE-UHFFFAOYSA-N 0 0 431.489 2.996 50 0 IFAARN CC(C)(C)c1cc(NC(=O)c2cc(=O)[nH]c3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000025159401 557197671 /nfs/dbraw/zinc/19/76/71/557197671.db2.gz YPIZAWHZBHKPTP-CYBMUJFWSA-N 0 0 428.514 2.634 50 0 IFAARN COC(=O)C[C@@H](c1oc(CN2CCOCC2)cc(=O)c1O)c1c(F)cccc1Cl ZINC000218421880 557198383 /nfs/dbraw/zinc/19/83/83/557198383.db2.gz SNJJCLHVNAUSJF-CYBMUJFWSA-N 0 0 425.840 2.665 50 0 IFAARN COC(=O)c1ccc2c(c1)CCN2C(=O)[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C ZINC000025179882 557199199 /nfs/dbraw/zinc/19/91/99/557199199.db2.gz RRWBIQMHBLCTDO-OAQYLSRUSA-N 0 0 440.496 2.834 50 0 IFAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000025188620 557199354 /nfs/dbraw/zinc/19/93/54/557199354.db2.gz WVEKFRXEGYPCAW-UHFFFAOYSA-N 0 0 437.496 2.618 50 0 IFAARN COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000025201690 557199706 /nfs/dbraw/zinc/19/97/06/557199706.db2.gz DKWGOOFNVOIUKI-UHFFFAOYSA-N 0 0 445.947 2.822 50 0 IFAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(OCC(F)(F)F)cc1 ZINC000010979937 557200068 /nfs/dbraw/zinc/20/00/68/557200068.db2.gz HRXGMLCNGKXESS-UHFFFAOYSA-N 0 0 427.404 2.695 50 0 IFAARN O=C1c2ccccc2C(=O)N1C[C@H](O)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000025233660 557200550 /nfs/dbraw/zinc/20/05/50/557200550.db2.gz ZGZYVGBFWANMBW-AWEZNQCLSA-N 0 0 431.473 2.782 50 0 IFAARN O=C(NCc1cnn(-c2ccccc2)c1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000011563808 557201217 /nfs/dbraw/zinc/20/12/17/557201217.db2.gz LJCKLRWKLXBJFP-UHFFFAOYSA-N 0 0 442.516 2.729 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000011582646 557204464 /nfs/dbraw/zinc/20/44/64/557204464.db2.gz IHWMJSAGIIWPGA-UHFFFAOYSA-N 0 0 436.917 2.981 50 0 IFAARN O=C(c1cccc2ccccc21)N1CCC[C@@H](C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000025343199 557205301 /nfs/dbraw/zinc/20/53/01/557205301.db2.gz IMEDOFLXTMCJSX-HXUWFJFHSA-N 0 0 429.524 2.831 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccn2)c1 ZINC000025346981 557205598 /nfs/dbraw/zinc/20/55/98/557205598.db2.gz PROVWLBBZCPXRR-UHFFFAOYSA-N 0 0 426.336 2.851 50 0 IFAARN COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1=O ZINC000013987042 557205901 /nfs/dbraw/zinc/20/59/01/557205901.db2.gz SRQWAHAESYEJRF-MRXNPFEDSA-N 0 0 445.541 2.682 50 0 IFAARN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(F)cc1 ZINC000011594972 557206837 /nfs/dbraw/zinc/20/68/37/557206837.db2.gz HSIPYVJERLWQIE-UHFFFAOYSA-N 0 0 433.461 2.547 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3CCCCCC3)CC2)c1 ZINC000025396171 557207644 /nfs/dbraw/zinc/20/76/44/557207644.db2.gz UXNSBULIDFBGDH-UHFFFAOYSA-N 0 0 449.617 2.756 50 0 IFAARN COc1ccc(-c2noc(CCC(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)n2)cc1 ZINC000025399978 557208043 /nfs/dbraw/zinc/20/80/43/557208043.db2.gz WWZGYAOHWIKINH-LJQANCHMSA-N 0 0 440.500 2.769 50 0 IFAARN NC(=O)C1CCN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000025397813 557208077 /nfs/dbraw/zinc/20/80/77/557208077.db2.gz UBPYMIWVFZUGCH-UHFFFAOYSA-N 0 0 437.569 2.892 50 0 IFAARN COc1ccc(-c2noc(CCC(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)n2)cc1 ZINC000025399984 557208305 /nfs/dbraw/zinc/20/83/05/557208305.db2.gz WWZGYAOHWIKINH-IBGZPJMESA-N 0 0 440.500 2.769 50 0 IFAARN Cn1c(CNC(=O)C[C@H](NC(N)=O)c2cccc(Br)c2)nc2ccccc21 ZINC000025402324 557208356 /nfs/dbraw/zinc/20/83/56/557208356.db2.gz VMJFKWUDOGDXBT-HNNXBMFYSA-N 0 0 430.306 2.752 50 0 IFAARN CCCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2C ZINC000011613342 557209193 /nfs/dbraw/zinc/20/91/93/557209193.db2.gz PNIRXJISJYYGPT-UHFFFAOYSA-N 0 0 436.516 2.556 50 0 IFAARN Cc1nnc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4cccc(C)c4)c(=O)n32)s1 ZINC000011613391 557209515 /nfs/dbraw/zinc/20/95/15/557209515.db2.gz OCAAWCNUHRVRQT-CYBMUJFWSA-N 0 0 439.526 2.726 50 0 IFAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3cccc(Cl)c3C)c(=O)n3c2CCCC3)no1 ZINC000169763860 557211310 /nfs/dbraw/zinc/21/13/10/557211310.db2.gz VHEDNBAZSSTINZ-UHFFFAOYSA-N 0 0 443.891 2.559 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)Cc3cccc(OC)c3)CC2)cc1 ZINC000169770620 557212125 /nfs/dbraw/zinc/21/21/25/557212125.db2.gz RSNMVYFPHMCZME-UHFFFAOYSA-N 0 0 436.512 2.586 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000169770611 557212141 /nfs/dbraw/zinc/21/21/41/557212141.db2.gz CPZGCUZGZOMBDP-UHFFFAOYSA-N 0 0 428.439 2.926 50 0 IFAARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000247748625 557213873 /nfs/dbraw/zinc/21/38/73/557213873.db2.gz RESSSVYMVVHWDL-TVFCKZIOSA-N 0 0 427.382 2.706 50 0 IFAARN COCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)[C@@H]1COc2ccccc2O1 ZINC000101035748 557214477 /nfs/dbraw/zinc/21/44/77/557214477.db2.gz IJIGYCOVCDTFED-ZREAOVPFSA-N 0 0 430.482 2.634 50 0 IFAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC000025573992 557215429 /nfs/dbraw/zinc/21/54/29/557215429.db2.gz KKGYHJWUAVJSPF-LBPRGKRZSA-N 0 0 445.916 2.776 50 0 IFAARN COc1cc(C)c(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1OC ZINC000011645333 557219469 /nfs/dbraw/zinc/21/94/69/557219469.db2.gz LITQRYXYFTYPJP-UHFFFAOYSA-N 0 0 443.525 2.812 50 0 IFAARN COC(=O)c1cc(NCC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)cc(C(=O)OC)c1 ZINC000025626002 557220017 /nfs/dbraw/zinc/22/00/17/557220017.db2.gz CWEYDDUWUHQRIT-NRFANRHFSA-N 0 0 426.469 2.948 50 0 IFAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000025661698 557220698 /nfs/dbraw/zinc/22/06/98/557220698.db2.gz CSIYOKUPRXMTJH-HXUWFJFHSA-N 0 0 432.586 2.730 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccc(F)cc2)cc1OC ZINC000000802822 557220976 /nfs/dbraw/zinc/22/09/76/557220976.db2.gz SGAMGGXPTCEGQV-UHFFFAOYSA-N 0 0 448.472 2.948 50 0 IFAARN O=C(CCN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc(Cl)cc1F ZINC000025678031 557221657 /nfs/dbraw/zinc/22/16/57/557221657.db2.gz MJOHWYLBJJELLH-UHFFFAOYSA-N 0 0 431.942 2.876 50 0 IFAARN C[C@H](OC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)C(=O)NC1CCCCCC1 ZINC000025731809 557223912 /nfs/dbraw/zinc/22/39/12/557223912.db2.gz GCVOYEFPLIJPDS-SYJLOODJSA-N 0 0 435.565 2.894 50 0 IFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)O[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000025747493 557224265 /nfs/dbraw/zinc/22/42/65/557224265.db2.gz FUOBHCITEUGUSQ-LBPRGKRZSA-N 0 0 435.860 2.568 50 0 IFAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)cc1OC ZINC000000804387 557224289 /nfs/dbraw/zinc/22/42/89/557224289.db2.gz IJNXUVHSHMCSJV-FQEVSTJZSA-N 0 0 444.553 2.832 50 0 IFAARN COc1cccc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)o2)c1 ZINC000010756659 557224683 /nfs/dbraw/zinc/22/46/83/557224683.db2.gz IHBBSRIWNFIVAH-CQSZACIVSA-N 0 0 448.526 2.846 50 0 IFAARN COc1cc(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)ccc1OCc1ccccc1 ZINC000025770558 557225174 /nfs/dbraw/zinc/22/51/74/557225174.db2.gz UHROEDOYZIRWGR-IBGZPJMESA-N 0 0 432.542 2.705 50 0 IFAARN C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(Br)cc1 ZINC000010913495 557226220 /nfs/dbraw/zinc/22/62/20/557226220.db2.gz WUIFXYSXSGZYKL-NSHDSACASA-N 0 0 430.258 2.799 50 0 IFAARN O=C(c1ccc[nH]c1=S)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000011337940 557228399 /nfs/dbraw/zinc/22/83/99/557228399.db2.gz IAVPANHZFMLOFJ-UHFFFAOYSA-N 0 0 442.360 2.653 50 0 IFAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000011457158 557229502 /nfs/dbraw/zinc/22/95/02/557229502.db2.gz PGYKMCHIMBGTDL-UHFFFAOYSA-N 0 0 435.908 2.882 50 0 IFAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 ZINC000011634827 557231189 /nfs/dbraw/zinc/23/11/89/557231189.db2.gz CUKMLFHGGHOARW-HNNXBMFYSA-N 0 0 448.501 2.620 50 0 IFAARN COc1ccc([C@@H]2SCC(=O)N2[C@H]2C(=O)N(c3ccccc3)N(C)[C@@H]2C)c(OC)c1 ZINC000011667044 557231565 /nfs/dbraw/zinc/23/15/65/557231565.db2.gz VZOZFTFPRORIHG-ZFGLAFRWSA-N 0 0 427.526 2.929 50 0 IFAARN COc1ccc(C(=O)NCCOc2ccc3nnc(-c4ccc(F)cc4)n3n2)cc1OC ZINC000011693846 557232560 /nfs/dbraw/zinc/23/25/60/557232560.db2.gz CMMHTIUDHKIBFY-UHFFFAOYSA-N 0 0 437.431 2.756 50 0 IFAARN Cn1ccnc1COc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000072259923 557232641 /nfs/dbraw/zinc/23/26/41/557232641.db2.gz HAQMJJXOIBPOAQ-UHFFFAOYSA-N 0 0 447.539 2.832 50 0 IFAARN COc1ccc(C(=O)C2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC2)cc1 ZINC000026131373 557236143 /nfs/dbraw/zinc/23/61/43/557236143.db2.gz RFFIADRJNMBTAF-ZJOUEHCJSA-N 0 0 445.585 2.842 50 0 IFAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(I)cc1 ZINC000018114780 557237601 /nfs/dbraw/zinc/23/76/01/557237601.db2.gz FCKZANBUQLLYCA-UHFFFAOYSA-N 0 0 441.269 2.875 50 0 IFAARN CC(C)[C@H](CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 ZINC000026302127 557238729 /nfs/dbraw/zinc/23/87/29/557238729.db2.gz ILACQYVNNXBJBD-IBGZPJMESA-N 0 0 428.499 2.894 50 0 IFAARN O=S(=O)(c1ccc(OCCSc2nccc(C(F)(F)F)n2)cc1)N1CCOCC1 ZINC000026341545 557239392 /nfs/dbraw/zinc/23/93/92/557239392.db2.gz ZJBLUXPQWYAVEJ-UHFFFAOYSA-N 0 0 449.476 2.687 50 0 IFAARN O=C(c1ncn(C[C@@H](O)c2ccc(F)cc2)n1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000583649096 557240021 /nfs/dbraw/zinc/24/00/21/557240021.db2.gz GYSWSXVJYFFLIM-LJQANCHMSA-N 0 0 429.883 2.767 50 0 IFAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)NCc3cccc(Br)c3)n2)cc1 ZINC000583648870 557241665 /nfs/dbraw/zinc/24/16/65/557241665.db2.gz BZBZZTLBTNPUNE-KRWDZBQOSA-N 0 0 431.290 2.713 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)CC2=O)c(OC)c1 ZINC000583652472 557242147 /nfs/dbraw/zinc/24/21/47/557242147.db2.gz BGPFQDZGMFYZOP-CRAIPNDOSA-N 0 0 440.496 2.878 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CN(C)[C@H]2CCc3ccccc32)c1=O ZINC000026554577 557244511 /nfs/dbraw/zinc/24/45/11/557244511.db2.gz CYTGXIVFLRDBEI-IBGZPJMESA-N 0 0 428.558 2.650 50 0 IFAARN COC(=O)C1CCN(C(=O)CN2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000026603157 557245566 /nfs/dbraw/zinc/24/55/66/557245566.db2.gz GLGABHOSIVLJLP-QGZVFWFLSA-N 0 0 442.343 2.808 50 0 IFAARN COc1ccc(N(C(C)=O)C2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000100188824 557246684 /nfs/dbraw/zinc/24/66/84/557246684.db2.gz IISKVXNHYKMVPE-QFIPXVFZSA-N 0 0 439.487 2.984 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000026890042 557250190 /nfs/dbraw/zinc/25/01/90/557250190.db2.gz RLKUTYVSEVRQCM-GFCCVEGCSA-N 0 0 447.488 2.724 50 0 IFAARN COC(=O)C[C@H](c1c[nH]nc1-c1ccccc1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604419319 557251559 /nfs/dbraw/zinc/25/15/59/557251559.db2.gz RUJLIOGFDPBLRN-GOSISDBHSA-N 0 0 447.495 2.913 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1C ZINC000026945602 557252139 /nfs/dbraw/zinc/25/21/39/557252139.db2.gz NCVUOUYQOBPWGL-UHFFFAOYSA-N 0 0 431.558 2.906 50 0 IFAARN COc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1S(=O)(=O)NC(C)(C)C ZINC000027018787 557254617 /nfs/dbraw/zinc/25/46/17/557254617.db2.gz MCINMRLHQNBLQF-GFCCVEGCSA-N 0 0 447.513 2.744 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 ZINC000000813584 557255079 /nfs/dbraw/zinc/25/50/79/557255079.db2.gz HHARLDMTFWBZQF-UHFFFAOYSA-N 0 0 430.404 2.517 50 0 IFAARN Cc1cc(C(=O)COC(=O)CCc2ccc3c(c2)OCO3)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000027023869 557255915 /nfs/dbraw/zinc/25/59/15/557255915.db2.gz IQEVFMXPBWDXJT-KRWDZBQOSA-N 0 0 447.509 2.552 50 0 IFAARN CN1c2ccccc2[C@@](O)(CC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)C1=O ZINC000100283399 557256532 /nfs/dbraw/zinc/25/65/32/557256532.db2.gz OTFKXOZYJSBULY-ATLLOTDBSA-N 0 0 432.476 2.803 50 0 IFAARN CC(C)(C)OC(=O)N1CCC(C(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)CC1 ZINC000390830203 557256623 /nfs/dbraw/zinc/25/66/23/557256623.db2.gz JLWFWGXUNSKXGU-ZDUSSCGKSA-N 0 0 431.459 2.666 50 0 IFAARN CC1CCN(C(=S)SCC(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000011011633 557256974 /nfs/dbraw/zinc/25/69/74/557256974.db2.gz GOZOYMQHZNLRIR-UHFFFAOYSA-N 0 0 449.598 2.811 50 0 IFAARN CCN(CC(=O)NCc1cccs1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000027112616 557257230 /nfs/dbraw/zinc/25/72/30/557257230.db2.gz FHTSIAXMELQFLT-UHFFFAOYSA-N 0 0 435.855 2.747 50 0 IFAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000027131819 557257585 /nfs/dbraw/zinc/25/75/85/557257585.db2.gz LMTOUCMUFBNDAD-FBVAEJEDSA-N 0 0 428.562 2.513 50 0 IFAARN O=C(CN1CCC[C@@H]1C(=O)NCc1ccco1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000027144086 557257880 /nfs/dbraw/zinc/25/78/80/557257880.db2.gz SRMIIEJVYYDMHR-QGZVFWFLSA-N 0 0 433.892 2.814 50 0 IFAARN Cc1cc(N2CCN(C(=O)CCn3cnc4c(C)cccc4c3=O)CC2)nc(C(C)C)n1 ZINC000027161642 557258485 /nfs/dbraw/zinc/25/84/85/557258485.db2.gz COYXBDXSROSBGV-UHFFFAOYSA-N 0 0 434.544 2.666 50 0 IFAARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000024946428 557259110 /nfs/dbraw/zinc/25/91/10/557259110.db2.gz UIJWMUJHSPDISE-UHFFFAOYSA-N 0 0 432.278 2.846 50 0 IFAARN COC(=O)C[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(C)cc1 ZINC000027364459 557261299 /nfs/dbraw/zinc/26/12/99/557261299.db2.gz GBFIZXQHNVHELD-QFIPXVFZSA-N 0 0 425.529 2.931 50 0 IFAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccc(I)c1 ZINC000027384716 557261504 /nfs/dbraw/zinc/26/15/04/557261504.db2.gz APTKMHVNGGNTOI-LLVKDONJSA-N 0 0 444.294 2.772 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000027466050 557262464 /nfs/dbraw/zinc/26/24/64/557262464.db2.gz XFABIDWKHYGSQF-FQEVSTJZSA-N 0 0 438.509 2.951 50 0 IFAARN COc1cccc(NC(=O)CN(C)C(=O)CN(Cc2cc(OC)ccc2OC)C2CC2)c1 ZINC000027604428 557267136 /nfs/dbraw/zinc/26/71/36/557267136.db2.gz RWGKSYFAMXMNJT-UHFFFAOYSA-N 0 0 441.528 2.774 50 0 IFAARN COc1ccc(C(O)=C2[C@H](c3ccc(O)c(OC)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000027664403 557270327 /nfs/dbraw/zinc/27/03/27/557270327.db2.gz MFKHXFHMYVBDGS-BXWFABGCSA-N 0 0 440.374 2.513 50 0 IFAARN CC(C)C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000101332599 557274052 /nfs/dbraw/zinc/27/40/52/557274052.db2.gz USYYELKQQXPAGF-PCCBWWKXSA-N 0 0 427.520 2.840 50 0 IFAARN CCCCn1c(=O)c(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(O)c3)C2)c([O-])[nH]c1=S ZINC000101455673 557285908 /nfs/dbraw/zinc/28/59/08/557285908.db2.gz YAXNBLLNCVYINZ-AWEZNQCLSA-N 0 0 432.502 2.823 50 0 IFAARN CCOc1ccccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000101545948 557291005 /nfs/dbraw/zinc/29/10/05/557291005.db2.gz BDXWZQDDAWXFHA-LNLFQRSKSA-N 0 0 442.512 2.933 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(Br)cc1 ZINC000014109306 557303714 /nfs/dbraw/zinc/30/37/14/557303714.db2.gz CYJGAXHNHWXXHJ-UHFFFAOYSA-N 0 0 443.319 2.726 50 0 IFAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000014165233 557312151 /nfs/dbraw/zinc/31/21/51/557312151.db2.gz YSPBOWONJKJRBN-UHFFFAOYSA-N 0 0 428.466 2.516 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000014180320 557313871 /nfs/dbraw/zinc/31/38/71/557313871.db2.gz MUTIDWMQJIFLPR-UHFFFAOYSA-N 0 0 443.447 2.761 50 0 IFAARN CC(=O)N(C[C@@H](O)c1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000100113924 557314774 /nfs/dbraw/zinc/31/47/74/557314774.db2.gz SDVHDVJKYTZOBK-ZWKOTPCHSA-N 0 0 431.286 2.663 50 0 IFAARN C[C@@H]1Oc2ccccc2C=C1/C=c1/sc2nc(=O)c(Cc3ccc(F)cc3)nn2c1=O ZINC000032968068 557319431 /nfs/dbraw/zinc/31/94/31/557319431.db2.gz DBVSCMFKXBONLB-DZUMZMOTSA-N 0 0 433.464 2.605 50 0 IFAARN Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(CC(=O)NC(C)C)CC3)s2)cc1 ZINC000033024828 557321215 /nfs/dbraw/zinc/32/12/15/557321215.db2.gz YUQSYPFSOSYPOH-UHFFFAOYSA-N 0 0 429.546 2.866 50 0 IFAARN O=C(Nc1ccc(F)cc1)c1nnc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)s1 ZINC000033024481 557321255 /nfs/dbraw/zinc/32/12/55/557321255.db2.gz DYIZIFIGFNEWRR-UHFFFAOYSA-N 0 0 445.520 2.794 50 0 IFAARN O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000033047647 557322849 /nfs/dbraw/zinc/32/28/49/557322849.db2.gz SDONZMFGHCASRE-UHFFFAOYSA-N 0 0 448.488 2.968 50 0 IFAARN Cc1nn(CC(=O)NC2CCCC2)c(=O)c2c1nn(-c1cccc(F)c1)c2-n1cccc1 ZINC000033058096 557323069 /nfs/dbraw/zinc/32/30/69/557323069.db2.gz BTRLTLORUDYNDV-UHFFFAOYSA-N 0 0 434.475 2.879 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1cc(C)c(C)cc1C)C(=O)NCc1cscn1 ZINC000033139003 557325437 /nfs/dbraw/zinc/32/54/37/557325437.db2.gz LPFSKKVELNXKMR-INIZCTEOSA-N 0 0 427.617 2.785 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccccc2CC)c1=O ZINC000033140951 557325708 /nfs/dbraw/zinc/32/57/08/557325708.db2.gz UCRCTQJZLXIEDR-UHFFFAOYSA-N 0 0 441.557 2.831 50 0 IFAARN Cc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000033140248 557325808 /nfs/dbraw/zinc/32/58/08/557325808.db2.gz HYECRHGNALPLPE-UHFFFAOYSA-N 0 0 427.979 2.865 50 0 IFAARN CCOC(=O)CSc1nnc(NC(=O)CSc2nc3cc(OC)ccc3[nH]2)s1 ZINC000104556371 557327337 /nfs/dbraw/zinc/32/73/37/557327337.db2.gz XQHGHDZXYLWTAX-UHFFFAOYSA-N 0 0 439.544 2.809 50 0 IFAARN CCN(C(=O)CN1CCCN(Cc2ccccc2)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000072308372 557327798 /nfs/dbraw/zinc/32/77/98/557327798.db2.gz OSYGPFIVUSLWEA-OAQYLSRUSA-N 0 0 441.597 2.939 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)cc1OC ZINC000033267418 557328236 /nfs/dbraw/zinc/32/82/36/557328236.db2.gz OCSLBNHJJASVGE-OAHLLOKOSA-N 0 0 435.484 2.980 50 0 IFAARN Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1 ZINC000033262319 557329640 /nfs/dbraw/zinc/32/96/40/557329640.db2.gz CFDHYPAFZJCZTK-QGZVFWFLSA-N 0 0 428.514 2.695 50 0 IFAARN Cc1nc(CCNC(=O)[C@H]2CSCN2S(=O)(=O)c2ccc(Cl)cc2)cs1 ZINC000033282339 557331856 /nfs/dbraw/zinc/33/18/56/557331856.db2.gz ACCFRWLSEBODRU-OAHLLOKOSA-N 0 0 431.992 2.527 50 0 IFAARN COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000222139767 557334160 /nfs/dbraw/zinc/33/41/60/557334160.db2.gz UXBCDFOHCFWTSB-KGVIQGDOSA-N 0 0 434.558 2.585 50 0 IFAARN COc1ccccc1CNCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000014361393 557336535 /nfs/dbraw/zinc/33/65/35/557336535.db2.gz DPOSFGNIAHNVMN-UHFFFAOYSA-N 0 0 431.558 2.907 50 0 IFAARN COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCN2CCOCC2)cc1 ZINC000033636896 557340727 /nfs/dbraw/zinc/34/07/27/557340727.db2.gz FLGWHHBJZHIROP-LTGZKZEYSA-N 0 0 443.931 2.568 50 0 IFAARN NC(=O)CCn1c(SCc2cc3c(cc2Br)OCCO3)nnc1C1CC1 ZINC000023365585 557350564 /nfs/dbraw/zinc/35/05/64/557350564.db2.gz ONMYKSCFRDGFRC-UHFFFAOYSA-N 0 0 439.335 2.857 50 0 IFAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(Cc3cccnc3)CC2)cc1OC ZINC000023460009 557360356 /nfs/dbraw/zinc/36/03/56/557360356.db2.gz LSEXNTWVUCCUSR-UHFFFAOYSA-N 0 0 431.500 2.526 50 0 IFAARN O=C(c1cccnc1Cl)N1CCN(c2nc3nccc(-c4cccs4)n3n2)CC1 ZINC000023457317 557362902 /nfs/dbraw/zinc/36/29/02/557362902.db2.gz FQGXISCNCCGGPK-UHFFFAOYSA-N 0 0 425.905 2.864 50 0 IFAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102682545 557368521 /nfs/dbraw/zinc/36/85/21/557368521.db2.gz YDAZWDQJHIXODA-GUDVDZBRSA-N 0 0 442.313 2.993 50 0 IFAARN CCCn1c(=O)[nH]nc1SCC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000018327449 557386753 /nfs/dbraw/zinc/38/67/53/557386753.db2.gz LOOSBFQARXRGLB-UHFFFAOYSA-N 0 0 432.546 2.885 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc(Cl)c3c(c2)OCCO3)C1=O ZINC000023947835 557388055 /nfs/dbraw/zinc/38/80/55/557388055.db2.gz RSUJKDNQHHZXIZ-NRFANRHFSA-N 0 0 429.860 2.699 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000011694162 557392062 /nfs/dbraw/zinc/39/20/62/557392062.db2.gz VBPROOJELVIGBS-UHFFFAOYSA-N 0 0 447.944 2.924 50 0 IFAARN COc1ccc(NC(=O)CN2CCN(c3nccn3-c3ccc(C)cc3)CC2)c(OC)c1 ZINC000011695762 557393854 /nfs/dbraw/zinc/39/38/54/557393854.db2.gz IOWRKXQPUBMOQC-UHFFFAOYSA-N 0 0 435.528 2.959 50 0 IFAARN COC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000011696099 557393878 /nfs/dbraw/zinc/39/38/78/557393878.db2.gz LBNLGEMKPNZJED-PBHICJAKSA-N 0 0 442.541 2.531 50 0 IFAARN COc1ccc(NC(=O)Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)cc1OC ZINC000011695866 557393895 /nfs/dbraw/zinc/39/38/95/557393895.db2.gz KWLRDVXHJNYEMX-UHFFFAOYSA-N 0 0 427.501 2.660 50 0 IFAARN COCCCNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000011696195 557394405 /nfs/dbraw/zinc/39/44/05/557394405.db2.gz SIVQTBSUNPKRPE-CQSZACIVSA-N 0 0 448.570 2.594 50 0 IFAARN COc1cccc([C@]2(C)NC(=O)N(C[C@@H](O)COc3cccc(Br)c3)C2=O)c1 ZINC000024086920 557395352 /nfs/dbraw/zinc/39/53/52/557395352.db2.gz YETOCZQFJRDXBO-QRWLVFNGSA-N 0 0 449.301 2.665 50 0 IFAARN CS(=O)(=O)Nc1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000011700214 557395694 /nfs/dbraw/zinc/39/56/94/557395694.db2.gz CUEIWQHGABAKIQ-UHFFFAOYSA-N 0 0 437.949 2.548 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1 ZINC000013955786 557397521 /nfs/dbraw/zinc/39/75/21/557397521.db2.gz DGZWYSFISJPZKK-UHFFFAOYSA-N 0 0 429.477 2.624 50 0 IFAARN C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)CC1 ZINC000408519065 557412674 /nfs/dbraw/zinc/41/26/74/557412674.db2.gz WNFOOZXVWXSMFE-ZDUSSCGKSA-N 0 0 431.493 2.854 50 0 IFAARN Cc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)N3CCC(c4ncc[nH]4)CC3)c2)o1 ZINC000408521411 557413550 /nfs/dbraw/zinc/41/35/50/557413550.db2.gz SRPGGPTXQDQLDL-UHFFFAOYSA-N 0 0 429.502 2.835 50 0 IFAARN CC(C)(C)OC(=O)NC1(CNC(=O)CCn2nnc3ccccc3c2=O)CCCCCC1 ZINC000024495581 557434738 /nfs/dbraw/zinc/43/47/38/557434738.db2.gz LJVOXNFWHJICIF-UHFFFAOYSA-N 0 0 443.548 2.916 50 0 IFAARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000103280137 557434782 /nfs/dbraw/zinc/43/47/82/557434782.db2.gz HFQGEDUBUNUDLP-KBPBESRZSA-N 0 0 428.842 2.785 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCCSCc1ccc(Br)s1 ZINC000103512084 557438052 /nfs/dbraw/zinc/43/80/52/557438052.db2.gz RQGQEWRNCMWWOC-BETUJISGSA-N 0 0 443.388 2.811 50 0 IFAARN CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 ZINC000103711893 557440687 /nfs/dbraw/zinc/44/06/87/557440687.db2.gz ITEDZYPBKAVXRB-FOIQADDNSA-N 0 0 434.558 2.871 50 0 IFAARN CC(C)c1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000024564959 557447212 /nfs/dbraw/zinc/44/72/12/557447212.db2.gz OAQYMQOCLPBFMI-UHFFFAOYSA-N 0 0 430.505 2.755 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3nc(C(C)(C)C)cs3)C2=O)cc1 ZINC000223240506 557450257 /nfs/dbraw/zinc/45/02/57/557450257.db2.gz PLBRWAZAJCKKQV-OAHLLOKOSA-N 0 0 430.530 2.941 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2C[C@@H]1C ZINC000104148635 557451931 /nfs/dbraw/zinc/45/19/31/557451931.db2.gz NTCKEVVPLWFMCB-ZKNHNOBHSA-N 0 0 435.590 2.593 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@H](C)[C@@H]3C)C2)cc(C(=O)OC)c1 ZINC000104234562 557453330 /nfs/dbraw/zinc/45/33/30/557453330.db2.gz KPXKEYGMVTYBJQ-OJFPTFHUSA-N 0 0 430.501 2.872 50 0 IFAARN COc1ccc(C(=O)COC(=O)c2ccc(N3CCOCC3)nc2)cc1Br ZINC000014803411 557456717 /nfs/dbraw/zinc/45/67/17/557456717.db2.gz GKOCLSUZJNETRS-UHFFFAOYSA-N 0 0 435.274 2.729 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)cc1 ZINC000085690615 557458929 /nfs/dbraw/zinc/45/89/29/557458929.db2.gz UWOHFWYXXAVNIJ-QGZVFWFLSA-N 0 0 432.484 2.921 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)[C@H]1C ZINC000104745475 557460131 /nfs/dbraw/zinc/46/01/31/557460131.db2.gz ULILOMLGLZPIPS-UWVAXJGDSA-N 0 0 436.574 2.571 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[C@H]1C ZINC000104747658 557460202 /nfs/dbraw/zinc/46/02/02/557460202.db2.gz XTLWQNKCRURYSP-GJYPPUQNSA-N 0 0 427.998 2.587 50 0 IFAARN C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCC[C@H](C)[C@@H]2C)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000104885017 557463463 /nfs/dbraw/zinc/46/34/63/557463463.db2.gz MBEKJHUHBKSWHB-YXISZKLHSA-N 0 0 430.501 2.959 50 0 IFAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)NCCc2ccccc2)cc1 ZINC000051316553 557464398 /nfs/dbraw/zinc/46/43/98/557464398.db2.gz LXADDJHWGDNKPI-UHFFFAOYSA-N 0 0 449.536 2.959 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000104937863 557466123 /nfs/dbraw/zinc/46/61/23/557466123.db2.gz BZPBUWOIALEHDD-OXJNMPFZSA-N 0 0 447.507 2.614 50 0 IFAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000104942034 557466168 /nfs/dbraw/zinc/46/61/68/557466168.db2.gz ARVLAYXAHPFTEU-HTAPYJJXSA-N 0 0 442.560 2.533 50 0 IFAARN COc1cc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)ccc1OC(C)=O ZINC000016321839 557472292 /nfs/dbraw/zinc/47/22/92/557472292.db2.gz IPUXBPKMNJWTQR-UUASQNMZSA-N 0 0 446.282 2.548 50 0 IFAARN CN1OC[C@H](S(=O)(=O)NC[C@@H]2CCCO2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000105049595 557473959 /nfs/dbraw/zinc/47/39/59/557473959.db2.gz DSRILZFVIGYOHB-FKBYEOEOSA-N 0 0 432.542 2.651 50 0 IFAARN CC(C)(C)C(=O)Nc1ccc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 ZINC000014852824 557496635 /nfs/dbraw/zinc/49/66/35/557496635.db2.gz CFABNMJAVQMLEE-UHFFFAOYSA-N 0 0 445.541 2.500 50 0 IFAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@H]4C2=O)no1 ZINC000106015578 557512811 /nfs/dbraw/zinc/51/28/11/557512811.db2.gz YPEQOEBOCSTMRV-JNNRSPCRSA-N 0 0 435.358 2.807 50 0 IFAARN CSc1nn(CC(=O)NC[C@@H]2CCCO2)c(N)c1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000046915397 557514240 /nfs/dbraw/zinc/51/42/40/557514240.db2.gz HKALWPNRPWCCDS-ZDUSSCGKSA-N 0 0 448.936 2.853 50 0 IFAARN O=S(=O)(NCc1nc2cccnc2n1Cc1ccccc1)c1cccc2nsnc21 ZINC000047147359 557517781 /nfs/dbraw/zinc/51/77/81/557517781.db2.gz JKTQBZXAJZWMSL-UHFFFAOYSA-N 0 0 436.522 2.963 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012030585 557523940 /nfs/dbraw/zinc/52/39/40/557523940.db2.gz SNSLJUHTIPMEPI-OAHLLOKOSA-N 0 0 443.930 2.562 50 0 IFAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012030663 557524016 /nfs/dbraw/zinc/52/40/16/557524016.db2.gz VDDQFQVHEAVDQI-MRXNPFEDSA-N 0 0 447.456 2.919 50 0 IFAARN CC(C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012029627 557524924 /nfs/dbraw/zinc/52/49/24/557524924.db2.gz WXJBNCXJSWSMJE-HXUWFJFHSA-N 0 0 435.567 2.698 50 0 IFAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012029812 557524929 /nfs/dbraw/zinc/52/49/29/557524929.db2.gz VTRCMOCJHOOMBP-MRXNPFEDSA-N 0 0 447.456 2.919 50 0 IFAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CCN3C(=O)c4ccccc4C3=O)n2)o1 ZINC000012051885 557525415 /nfs/dbraw/zinc/52/54/15/557525415.db2.gz YSXLMQYHPIMIKE-UHFFFAOYSA-N 0 0 438.465 2.664 50 0 IFAARN Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)Cc2ccc(Cl)cc2)c1=O ZINC000012072167 557526856 /nfs/dbraw/zinc/52/68/56/557526856.db2.gz GHYQYOLPJGTHGF-UHFFFAOYSA-N 0 0 435.915 2.962 50 0 IFAARN CCC(CC)[C@H](CNC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCOCC1 ZINC000106548504 557530137 /nfs/dbraw/zinc/53/01/37/557530137.db2.gz GBUUHRBHCGVYAV-CMOCDZPBSA-N 0 0 447.620 2.606 50 0 IFAARN O=C(Nc1nc2c(s1)C(=O)NCCC2)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000211128612 557534320 /nfs/dbraw/zinc/53/43/20/557534320.db2.gz OMHJUJQQQNRIAQ-JTQLQIEISA-N 0 0 449.330 2.573 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000211106453 557534398 /nfs/dbraw/zinc/53/43/98/557534398.db2.gz HCEDUKYXKHKBPE-LJQANCHMSA-N 0 0 425.503 2.655 50 0 IFAARN COc1ccc([C@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1 ZINC000107542327 557536061 /nfs/dbraw/zinc/53/60/61/557536061.db2.gz SILDRNKRNVYBDM-GOTSBHOMSA-N 0 0 444.553 2.665 50 0 IFAARN C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000107508488 557536185 /nfs/dbraw/zinc/53/61/85/557536185.db2.gz KMJKZDCFYYZHCX-KURKYZTESA-N 0 0 443.510 2.770 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCSC[C@H]3CCO)ccc2Cl)C1 ZINC000107591657 557536492 /nfs/dbraw/zinc/53/64/92/557536492.db2.gz YWQPFIFRIUSSQQ-GOEBONIOSA-N 0 0 447.022 2.701 50 0 IFAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O ZINC000044839920 557539152 /nfs/dbraw/zinc/53/91/52/557539152.db2.gz AQODEMMESNKBTA-INIZCTEOSA-N 0 0 439.512 2.510 50 0 IFAARN COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O ZINC000044841219 557539581 /nfs/dbraw/zinc/53/95/81/557539581.db2.gz BXFRJJFHNFUSLF-UHFFFAOYSA-N 0 0 435.402 2.857 50 0 IFAARN C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1nnc(C2CC2)s1 ZINC000044893322 557539961 /nfs/dbraw/zinc/53/99/61/557539961.db2.gz GMAZIJQBSIBMJU-LBPRGKRZSA-N 0 0 434.953 2.928 50 0 IFAARN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc(Cn4cncn4)cc3)CC2=O)cc1 ZINC000044921887 557541053 /nfs/dbraw/zinc/54/10/53/557541053.db2.gz XHGSHEZYKODKON-IBGZPJMESA-N 0 0 447.495 2.885 50 0 IFAARN COc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)NCc1ccccc1 ZINC000045900598 557546995 /nfs/dbraw/zinc/54/69/95/557546995.db2.gz NWLQLTIKKAAXGR-UHFFFAOYSA-N 0 0 425.510 2.803 50 0 IFAARN Nc1nc(SCC(=O)NCc2ccco2)ncc1S(=O)(=O)c1ccc(Cl)s1 ZINC000045925124 557549956 /nfs/dbraw/zinc/54/99/56/557549956.db2.gz PYJRVCPXZKTFOB-UHFFFAOYSA-N 0 0 444.947 2.608 50 0 IFAARN COC(=O)c1ccc(CSc2n[nH]c(=O)c3cc(-c4ccc(OC)c(OC)c4)nn32)o1 ZINC000045971979 557555478 /nfs/dbraw/zinc/55/54/78/557555478.db2.gz PRDOEBBFXWGKRF-UHFFFAOYSA-N 0 0 442.453 2.774 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1cnc2nc(N3CCSCC3)sc2c1=O ZINC000045970716 557558104 /nfs/dbraw/zinc/55/81/04/557558104.db2.gz UGTDRFFSDFSMGL-UHFFFAOYSA-N 0 0 429.571 2.916 50 0 IFAARN Cn1c(CCC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)nc2ccccc2c1=O ZINC000039996323 557675173 /nfs/dbraw/zinc/67/51/73/557675173.db2.gz RUXGHYMFOXKANL-UHFFFAOYSA-N 0 0 431.395 2.649 50 0 IFAARN CN(Cc1ccc(Cl)s1)C(=O)COC(=O)CCn1nc(-c2cccs2)oc1=O ZINC000040023658 557679760 /nfs/dbraw/zinc/67/97/60/557679760.db2.gz RVKVCNRKKJHFTL-UHFFFAOYSA-N 0 0 441.918 2.872 50 0 IFAARN CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)[nH]1 ZINC000225416238 557720406 /nfs/dbraw/zinc/72/04/06/557720406.db2.gz XCAICDXDKFOJKO-OLZOCXBDSA-N 0 0 437.566 2.895 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NOCCSC)c1 ZINC000225436069 557722543 /nfs/dbraw/zinc/72/25/43/557722543.db2.gz UHODEPRHQBJLCQ-UHFFFAOYSA-N 0 0 425.370 2.504 50 0 IFAARN COCCn1cc([C@H]2[C@H](C(=O)Nc3cnc(C4CC4)nc3)CC(=O)N2C(C)(C)C)cn1 ZINC000225455534 557724901 /nfs/dbraw/zinc/72/49/01/557724901.db2.gz GOHXDNLGRBIDMB-MJGOQNOKSA-N 0 0 426.521 2.524 50 0 IFAARN O=C(Nc1cnn(CCN2CCOCC2)c1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000225480160 557727942 /nfs/dbraw/zinc/72/79/42/557727942.db2.gz BZDLGPBXLKSTGA-UHFFFAOYSA-N 0 0 435.315 2.960 50 0 IFAARN NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000225497555 557730411 /nfs/dbraw/zinc/73/04/11/557730411.db2.gz SURHQXOOSCSLFD-OAHLLOKOSA-N 0 0 427.810 2.649 50 0 IFAARN COc1ccc(-c2noc([C@@H](CCS(C)(=O)=O)N3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000225525416 557735979 /nfs/dbraw/zinc/73/59/79/557735979.db2.gz WWVITMXNWBFBHK-QGZVFWFLSA-N 0 0 441.465 2.517 50 0 IFAARN O=S1(=O)CC[C@H](c2noc(C3(c4ccc(Br)cc4)CCOCC3)n2)C1 ZINC000225551253 557740794 /nfs/dbraw/zinc/74/07/94/557740794.db2.gz JCAPFOCIAUZUBO-LBPRGKRZSA-N 0 0 427.320 2.831 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(Oc3ncccc3F)CC2)c(C)c1 ZINC000225568082 557743785 /nfs/dbraw/zinc/74/37/85/557743785.db2.gz CGYLLBJXIPWBEM-UHFFFAOYSA-N 0 0 435.521 2.576 50 0 IFAARN CCCn1c(CN2CCC(c3cnccn3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000225570929 557744479 /nfs/dbraw/zinc/74/44/79/557744479.db2.gz VTQFIJBMUMMPAT-UHFFFAOYSA-N 0 0 442.589 2.866 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)[C@H]3CCCN(C(=O)c4ccncc4)C3)ccc21 ZINC000225664747 557759412 /nfs/dbraw/zinc/75/94/12/557759412.db2.gz VQUWWBWABJUYEL-KKSFZXQISA-N 0 0 449.507 2.657 50 0 IFAARN CCOC(=O)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1c(C)nn(-c2ccccc2)c1C ZINC000225668172 557759874 /nfs/dbraw/zinc/75/98/74/557759874.db2.gz FTVYTCPPWLJDCC-AEFFLSMTSA-N 0 0 438.450 2.846 50 0 IFAARN C[C@H](NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1Cc1ccco1)c1ccc(F)cc1 ZINC000225684514 557763195 /nfs/dbraw/zinc/76/31/95/557763195.db2.gz IXACZGYEDOLFMW-ZDUSSCGKSA-N 0 0 432.477 2.587 50 0 IFAARN COc1ccsc1S(=O)(=O)NC(C)(C)CC(=O)N1CCN(c2ccccc2)CC1 ZINC000225829131 557782253 /nfs/dbraw/zinc/78/22/53/557782253.db2.gz DKPGPRHVYXGYIM-UHFFFAOYSA-N 0 0 437.587 2.553 50 0 IFAARN O=C(CSc1nnc(COc2ccc(F)cc2)o1)N1CCN(c2ccccn2)CC1 ZINC000018525689 557829097 /nfs/dbraw/zinc/82/90/97/557829097.db2.gz WNWIQURKJWXBPZ-UHFFFAOYSA-N 0 0 429.477 2.624 50 0 IFAARN COc1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1OC ZINC000239377993 557844271 /nfs/dbraw/zinc/84/42/71/557844271.db2.gz OKIJXRJWFMQZJO-GLHSZLCASA-N 0 0 436.501 2.647 50 0 IFAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CS(C)(=O)=O)o2)[C@H](c2cccnc2)C1 ZINC000241126025 557845929 /nfs/dbraw/zinc/84/59/29/557845929.db2.gz JIZQRJJVSCXRAT-KRWDZBQOSA-N 0 0 449.529 2.653 50 0 IFAARN COc1cccc(CC(=O)N2CCN(C[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1 ZINC000241942356 557847115 /nfs/dbraw/zinc/84/71/15/557847115.db2.gz ULVZNKQKSMGOGH-NTKDMRAZSA-N 0 0 429.561 2.639 50 0 IFAARN O=C(NCCc1cccc(Cl)c1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000242273704 557847539 /nfs/dbraw/zinc/84/75/39/557847539.db2.gz YFFTVAYNMAVAIZ-QGZVFWFLSA-N 0 0 443.352 2.742 50 0 IFAARN COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000000886576 557855793 /nfs/dbraw/zinc/85/57/93/557855793.db2.gz XISFSKUOHSAJHA-INIZCTEOSA-N 0 0 438.933 2.839 50 0 IFAARN COc1cc(CNc2ccccc2Oc2cc(=O)n(C)c(=O)n2C)cc(OC)c1OC ZINC000002269676 562926709 /nfs/dbraw/zinc/92/67/09/562926709.db2.gz TVXMRIKDYDUFPN-UHFFFAOYSA-N 0 0 427.457 2.514 50 0 IFAARN O=C(OCc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002618448 562928480 /nfs/dbraw/zinc/92/84/80/562928480.db2.gz MUJLWMZMCFRGGJ-UHFFFAOYSA-N 0 0 433.511 2.942 50 0 IFAARN Cc1cc(NC(=O)COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)ccc1Br ZINC000002658365 562929535 /nfs/dbraw/zinc/92/95/35/562929535.db2.gz AQJSCOXPJUCONO-CXAGYDPISA-N 0 0 427.320 2.693 50 0 IFAARN Cc1cc(NC(=O)COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)ccc1Br ZINC000002658366 562929537 /nfs/dbraw/zinc/92/95/37/562929537.db2.gz AQJSCOXPJUCONO-SUMWQHHRSA-N 0 0 427.320 2.693 50 0 IFAARN COCCCNC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000002938799 562930900 /nfs/dbraw/zinc/93/09/00/562930900.db2.gz BWLRXQMEYHILOY-LJQANCHMSA-N 0 0 440.949 2.911 50 0 IFAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C ZINC000003231046 562933111 /nfs/dbraw/zinc/93/31/11/562933111.db2.gz QAHFXGJKIQAMTO-UHFFFAOYSA-N 0 0 438.527 2.506 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 ZINC000003294079 562933809 /nfs/dbraw/zinc/93/38/09/562933809.db2.gz PPLTVTSGZISMBG-UHFFFAOYSA-N 0 0 432.542 2.644 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000003303041 562934015 /nfs/dbraw/zinc/93/40/15/562934015.db2.gz JOMUCBRZKFMIRL-KRWDZBQOSA-N 0 0 426.860 2.932 50 0 IFAARN CCOc1ccccc1NC(=O)CN(c1nccs1)S(=O)(=O)c1ccc(N)cc1 ZINC000003321747 562934210 /nfs/dbraw/zinc/93/42/10/562934210.db2.gz QNPKRHJKYRNGMX-UHFFFAOYSA-N 0 0 432.527 2.958 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Br)cc1 ZINC000003354491 562934669 /nfs/dbraw/zinc/93/46/69/562934669.db2.gz AZNWTUSBDPUPAC-UHFFFAOYSA-N 0 0 433.306 2.917 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000003354533 562934687 /nfs/dbraw/zinc/93/46/87/562934687.db2.gz IDXYZDLGYPSDQJ-LJQANCHMSA-N 0 0 441.553 2.501 50 0 IFAARN COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl ZINC000003407218 562935256 /nfs/dbraw/zinc/93/52/56/562935256.db2.gz YUEBSIHMNDJSPD-NSHDSACASA-N 0 0 425.894 2.613 50 0 IFAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(-n2nc(SC)sc2=S)cc1 ZINC000003434243 562935750 /nfs/dbraw/zinc/93/57/50/562935750.db2.gz BLEFSYKFTMEOBE-VIFPVBQESA-N 0 0 426.545 2.776 50 0 IFAARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)c32)C1 ZINC000003416936 562935477 /nfs/dbraw/zinc/93/54/77/562935477.db2.gz KOBDYNZIRHPFFW-NWDGAFQWSA-N 0 0 425.601 2.554 50 0 IFAARN COc1ccc(CCNC(=O)CCNC(=O)c2ccc(Br)cc2)cc1OC ZINC000003418385 562935481 /nfs/dbraw/zinc/93/54/81/562935481.db2.gz PYUSDQFLDCJWSJ-UHFFFAOYSA-N 0 0 435.318 2.945 50 0 IFAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)Nc1ccccc1 ZINC000003430572 562935687 /nfs/dbraw/zinc/93/56/87/562935687.db2.gz YMJPVJDQFNRTBY-OAHLLOKOSA-N 0 0 428.466 2.942 50 0 IFAARN COCCn1c(=O)c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003446790 562935950 /nfs/dbraw/zinc/93/59/50/562935950.db2.gz UCBFELSKNKJGSL-CQSZACIVSA-N 0 0 441.509 2.933 50 0 IFAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCCCCC3)c3ccccc3c2=O)cc1 ZINC000003660346 562937543 /nfs/dbraw/zinc/93/75/43/562937543.db2.gz OPIUASIWNWFYNS-UHFFFAOYSA-N 0 0 434.496 2.527 50 0 IFAARN O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)Nc1ccc2c(c1)OCCO2 ZINC000003958881 562940057 /nfs/dbraw/zinc/94/00/57/562940057.db2.gz BIGVZDITODCFDO-UHFFFAOYSA-N 0 0 444.444 2.641 50 0 IFAARN Cc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000003959436 562940142 /nfs/dbraw/zinc/94/01/42/562940142.db2.gz URROWPGYUXEUKK-KRWDZBQOSA-N 0 0 444.582 2.759 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000004077739 562941555 /nfs/dbraw/zinc/94/15/55/562941555.db2.gz HOXSKSDFASYTOV-UHFFFAOYSA-N 0 0 448.570 2.783 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)NC2CCCC2)cn3C)CC1 ZINC000004078981 562941591 /nfs/dbraw/zinc/94/15/91/562941591.db2.gz DQEUWGWEAKLPPM-UHFFFAOYSA-N 0 0 431.558 2.632 50 0 IFAARN CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2)n1Cc1ccccc1 ZINC000004100791 562941775 /nfs/dbraw/zinc/94/17/75/562941775.db2.gz IKEOPVAEBLWHGX-UHFFFAOYSA-N 0 0 440.525 2.920 50 0 IFAARN C[C@@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(Cc3ccccc3)c(=O)c2S1 ZINC000004142600 562942274 /nfs/dbraw/zinc/94/22/74/562942274.db2.gz XVDYAKZWFRVEBQ-ZBFHGGJFSA-N 0 0 431.583 2.716 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000004143568 562942326 /nfs/dbraw/zinc/94/23/26/562942326.db2.gz GUEFTEWLVKIZIA-MRXNPFEDSA-N 0 0 425.938 2.704 50 0 IFAARN Cc1ccc(C)c(Cn2c(CN(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000006528178 562947039 /nfs/dbraw/zinc/94/70/39/562947039.db2.gz BMGUEARCRKNCHZ-UHFFFAOYSA-N 0 0 431.540 2.731 50 0 IFAARN O=c1cc(N2CCN(c3ccccc3F)CC2)[nH]c(=O)n1-c1ccc(Br)cc1 ZINC000006530241 562947107 /nfs/dbraw/zinc/94/71/07/562947107.db2.gz RVHVDNOBWGPJJT-UHFFFAOYSA-N 0 0 445.292 2.754 50 0 IFAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)NCc3cccnc3)c(C)o2)cc1OC ZINC000006577113 562947476 /nfs/dbraw/zinc/94/74/76/562947476.db2.gz SNTYBKSSPANJMS-SSEXGKCCSA-N 0 0 429.498 2.627 50 0 aggregator IFAARN CCOC(=O)N1CCN(C(=O)C[S@@](=O)Cc2nc(-c3cccc(C)c3)oc2C)CC1 ZINC000006577251 562947560 /nfs/dbraw/zinc/94/75/60/562947560.db2.gz OZHGKSHWGNUCTH-SSEXGKCCSA-N 0 0 433.530 2.508 50 0 IFAARN NC(=O)CSc1nnc(Cn2c3ccccc3sc2=O)n1CCc1ccccc1 ZINC000006577664 562947818 /nfs/dbraw/zinc/94/78/18/562947818.db2.gz XGEZMXGREMLKHQ-UHFFFAOYSA-N 0 0 425.539 2.523 50 0 IFAARN C[C@@H]1C[C@@]2(C[C@](C)(C(=O)CSc3n[nH]c(-c4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000008014925 562948787 /nfs/dbraw/zinc/94/87/87/562948787.db2.gz FTZRUURQZZDBSC-RSULWSAWSA-N 0 0 435.889 2.814 50 0 IFAARN CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2ccccc2Cl)n1)c1ccc(OC)cc1 ZINC000008583718 562949822 /nfs/dbraw/zinc/94/98/22/562949822.db2.gz SVGYKBQUAYXOFU-SFHVURJKSA-N 0 0 443.891 2.813 50 0 IFAARN COc1ccc(Oc2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C)cc1 ZINC000008590535 562951692 /nfs/dbraw/zinc/95/16/92/562951692.db2.gz PHGPMTYXXIOKNO-UHFFFAOYSA-N 0 0 426.860 2.936 50 0 IFAARN COc1cc2c(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cn(C)c(=O)c2cc1OC ZINC000008591718 562952144 /nfs/dbraw/zinc/95/21/44/562952144.db2.gz ANPYXSRTVKSVJJ-UHFFFAOYSA-N 0 0 428.441 2.834 50 0 IFAARN CCn1cc(C(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)c(=O)c2ccc(C)nc21 ZINC000008592320 562952271 /nfs/dbraw/zinc/95/22/71/562952271.db2.gz OUYLCGNYIJEPNL-UHFFFAOYSA-N 0 0 425.441 2.538 50 0 IFAARN CCn1c2nnc(CCC(=O)Nc3ccc(OC)cc3OC)n2c2ccsc2c1=O ZINC000008592384 562952312 /nfs/dbraw/zinc/95/23/12/562952312.db2.gz LCEUOTNOEZHHAK-UHFFFAOYSA-N 0 0 427.486 2.714 50 0 IFAARN O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000008593639 562952843 /nfs/dbraw/zinc/95/28/43/562952843.db2.gz KLQNTWRUWYFNAU-UHFFFAOYSA-N 0 0 434.905 2.593 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nonc43)C2)cc1 ZINC000008594137 562952968 /nfs/dbraw/zinc/95/29/68/562952968.db2.gz RDINMRVAWAJCKR-CQSZACIVSA-N 0 0 430.486 2.661 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N[C@H](C)c3ccccc3)ccc21 ZINC000008596136 562953757 /nfs/dbraw/zinc/95/37/57/562953757.db2.gz BYBGYQRLNBPMGP-MRXNPFEDSA-N 0 0 429.542 2.532 50 0 IFAARN CC(C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(F)cc1)N2 ZINC000008596786 562953935 /nfs/dbraw/zinc/95/39/35/562953935.db2.gz NADZRMYFLKSKGT-HXUWFJFHSA-N 0 0 447.532 2.949 50 0 IFAARN Cc1nc2c(c(C)c1CCC(=O)Nc1cccc(C(F)(F)F)c1)c(=O)n(C)c(=O)n2C ZINC000008598884 562954502 /nfs/dbraw/zinc/95/45/02/562954502.db2.gz RBYQITOHZUYTMY-UHFFFAOYSA-N 0 0 434.418 2.839 50 0 IFAARN O=C(c1ccc(Cl)cc1)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000008599491 562954709 /nfs/dbraw/zinc/95/47/09/562954709.db2.gz SVYNMAIXBDAPET-UHFFFAOYSA-N 0 0 443.906 2.955 50 0 IFAARN O=C(c1cccc(Cl)c1)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000008599511 562954801 /nfs/dbraw/zinc/95/48/01/562954801.db2.gz ZDTWAJZRCVPICY-UHFFFAOYSA-N 0 0 443.906 2.955 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)Nc1ccc(Cl)cc1 ZINC000008600905 562955202 /nfs/dbraw/zinc/95/52/02/562955202.db2.gz YMCNPNSIVMKOGG-UHFFFAOYSA-N 0 0 447.944 2.946 50 0 IFAARN Cc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000008601492 562955363 /nfs/dbraw/zinc/95/53/63/562955363.db2.gz ASLNPSUGTIZDFI-KRWDZBQOSA-N 0 0 432.523 2.597 50 0 IFAARN O=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008601606 562955475 /nfs/dbraw/zinc/95/54/75/562955475.db2.gz AGQCGBGXHNLOEB-GOSISDBHSA-N 0 0 445.516 2.536 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000008602711 562955867 /nfs/dbraw/zinc/95/58/67/562955867.db2.gz DKHMLNWKNPEXEM-UHFFFAOYSA-N 0 0 448.545 2.551 50 0 IFAARN CCOCCc1nn2c(nc(COC(=O)c3ccccc3Br)cc2=O)s1 ZINC000008605431 562956732 /nfs/dbraw/zinc/95/67/32/562956732.db2.gz CLLXJVRDXHMTRT-UHFFFAOYSA-N 0 0 438.303 2.850 50 0 IFAARN Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)c2)no1 ZINC000008607494 562957332 /nfs/dbraw/zinc/95/73/32/562957332.db2.gz BQKJEXMJJDWKSK-UHFFFAOYSA-N 0 0 440.525 2.762 50 0 IFAARN Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)ccc1Br ZINC000008608336 562957525 /nfs/dbraw/zinc/95/75/25/562957525.db2.gz SCTRFRMOGXNPRN-ZDUSSCGKSA-N 0 0 441.351 2.530 50 0 IFAARN CCOC(=O)Cn1c2c(nc(-c3cccc(C)c3)nc2C(N)=O)n(C2CCCCC2)c1=O ZINC000008610321 562958090 /nfs/dbraw/zinc/95/80/90/562958090.db2.gz ARFYNBHFZKZFOF-UHFFFAOYSA-N 0 0 437.500 2.736 50 0 IFAARN CCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCCCC3)c2C)cc1 ZINC000008611390 562958565 /nfs/dbraw/zinc/95/85/65/562958565.db2.gz ZJJBHBBIQHQBHO-UHFFFAOYSA-N 0 0 441.575 2.700 50 0 IFAARN CCCc1[nH]nc2c1[C@@]1(c3ccccc3N(Cc3ccccc3)C1=O)C(C(=O)OC)=C(N)O2 ZINC000008670823 562960775 /nfs/dbraw/zinc/96/07/75/562960775.db2.gz HGLIYONCBSFZTF-VWLOTQADSA-N 0 0 444.491 2.931 50 0 IFAARN CCCc1[nH]nc2c1[C@]1(c3ccccc3N(Cc3ccccc3)C1=O)C(C(=O)OC)=C(N)O2 ZINC000008670822 562960788 /nfs/dbraw/zinc/96/07/88/562960788.db2.gz HGLIYONCBSFZTF-RUZDIDTESA-N 0 0 444.491 2.931 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(C)[nH]c(=O)[nH]c2=O)o1 ZINC000008672421 562961076 /nfs/dbraw/zinc/96/10/76/562961076.db2.gz CUPZBCDMDRUQLS-CABZTGNLSA-N 0 0 425.511 2.659 50 0 IFAARN COc1cc(C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000008690144 562963153 /nfs/dbraw/zinc/96/31/53/562963153.db2.gz KLMLPGSFVRXZFT-KRWDZBQOSA-N 0 0 437.489 2.681 50 0 IFAARN COc1ccc([C@H]2[C@H](C(C)=O)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC(C)(C)OC3=O)cc1 ZINC000008691605 562963451 /nfs/dbraw/zinc/96/34/51/562963451.db2.gz JVYQRNQDQHCNHS-PCCBWWKXSA-N 0 0 448.475 2.963 50 0 IFAARN CCCCC[C@@H](C)NC(=S)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000008692459 562963572 /nfs/dbraw/zinc/96/35/72/562963572.db2.gz YYFPOZSPRNNRKJ-MRXNPFEDSA-N 0 0 441.619 2.589 50 0 IFAARN Cn1cnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000008692943 562963648 /nfs/dbraw/zinc/96/36/48/562963648.db2.gz XFNCTCYYVGIOJU-UHFFFAOYSA-N 0 0 443.982 2.764 50 0 IFAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C ZINC000008694148 562963716 /nfs/dbraw/zinc/96/37/16/562963716.db2.gz PLDAYNFWZVTSDN-CQSZACIVSA-N 0 0 427.288 2.923 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(N)s2)c1 ZINC000008694105 562963737 /nfs/dbraw/zinc/96/37/37/562963737.db2.gz YILIWXWIPSLIPS-UHFFFAOYSA-N 0 0 435.556 2.676 50 0 IFAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@H]1c1cccc(O)c1 ZINC000008830843 562964884 /nfs/dbraw/zinc/96/48/84/562964884.db2.gz BHLKATAHDREZNF-NRFANRHFSA-N 0 0 435.484 2.845 50 0 IFAARN COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)cc(OC)c1 ZINC000008912554 562965969 /nfs/dbraw/zinc/96/59/69/562965969.db2.gz DSIBBSBHANWVIS-UHFFFAOYSA-N 0 0 435.527 2.881 50 0 IFAARN CC[C@@H](C(=O)NCCc1ccc(OC)cc1OC)n1nc(C)n2c3ccoc3cc2c1=O ZINC000008965068 562966287 /nfs/dbraw/zinc/96/62/87/562966287.db2.gz IQTVPVHBUXKLTI-KRWDZBQOSA-N 0 0 438.484 2.878 50 0 IFAARN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)cc1OC ZINC000008972413 562966434 /nfs/dbraw/zinc/96/64/34/562966434.db2.gz PJBFGZKFTUEGEH-HMMYKYKNSA-N 0 0 434.496 2.878 50 0 IFAARN Cc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3Cl)n2C)s1 ZINC000009263979 562968542 /nfs/dbraw/zinc/96/85/42/562968542.db2.gz QYHGYFUKLVDOFO-UHFFFAOYSA-N 0 0 437.938 2.540 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)cc1 ZINC000009263750 562968559 /nfs/dbraw/zinc/96/85/59/562968559.db2.gz NQECPDKAQSYCHA-RHSMWYFYSA-N 0 0 431.562 2.792 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)cc1 ZINC000009263751 562968587 /nfs/dbraw/zinc/96/85/87/562968587.db2.gz NQECPDKAQSYCHA-WMLDXEAASA-N 0 0 431.562 2.792 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)c3ccccc3)n2C)cc1OC ZINC000009262650 562968613 /nfs/dbraw/zinc/96/86/13/562968613.db2.gz IYQARRWSEMUXRR-UHFFFAOYSA-N 0 0 426.498 2.737 50 0 IFAARN Cc1ccc2c(COC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc(=O)oc2c1 ZINC000009284027 562968831 /nfs/dbraw/zinc/96/88/31/562968831.db2.gz WXPNAWAKHBCPJH-HNNXBMFYSA-N 0 0 435.432 2.969 50 0 IFAARN COc1ccccc1CN(C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009316790 562969320 /nfs/dbraw/zinc/96/93/20/562969320.db2.gz BAVCKLDSBOFXTN-UHFFFAOYSA-N 0 0 431.558 2.940 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccc(O)cc1 ZINC000009373560 562969714 /nfs/dbraw/zinc/96/97/14/562969714.db2.gz OFZXDAIJFZPRMF-UHFFFAOYSA-N 0 0 432.498 2.671 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2C[C@@H]1C ZINC000009396954 562969938 /nfs/dbraw/zinc/96/99/38/562969938.db2.gz MCEQXUDYUWVRQT-INIZCTEOSA-N 0 0 447.601 2.834 50 0 IFAARN COc1cccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c2cccc(C)c2)c1 ZINC000009408197 562970285 /nfs/dbraw/zinc/97/02/85/562970285.db2.gz CSVSJVBJCLUMOY-RBUKOAKNSA-N 0 0 445.566 2.717 50 0 IFAARN COc1ccc(-c2nnc3ccc(SCC(=O)Nc4cc(C)on4)nn32)cc1OC ZINC000009415568 562970445 /nfs/dbraw/zinc/97/04/45/562970445.db2.gz FLXVLYWRPYHUMS-UHFFFAOYSA-N 0 0 426.458 2.836 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccncc3)o2)cc1 ZINC000009428097 562970493 /nfs/dbraw/zinc/97/04/93/562970493.db2.gz OTWIUEYALLAGOV-AWEZNQCLSA-N 0 0 427.486 2.947 50 0 IFAARN CC[C@@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)CC1 ZINC000009430582 562970643 /nfs/dbraw/zinc/97/06/43/562970643.db2.gz IMFJUFRISYECDQ-JLJREYHVSA-N 0 0 449.617 2.984 50 0 IFAARN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)c1 ZINC000009430847 562970678 /nfs/dbraw/zinc/97/06/78/562970678.db2.gz BCJYDXPHAPDKPK-KRWDZBQOSA-N 0 0 425.510 2.876 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 ZINC000009448739 562971285 /nfs/dbraw/zinc/97/12/85/562971285.db2.gz JFPWEJKDXXSSSY-MCFFVMPBSA-N 0 0 443.544 2.748 50 0 IFAARN COCCCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c1nc1c(C)cccn1c2=O ZINC000009452274 562971402 /nfs/dbraw/zinc/97/14/02/562971402.db2.gz NBWLPMXOYDSPEV-UHFFFAOYSA-N 0 0 434.452 2.975 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(S(C)(=O)=O)cc2)c1C ZINC000009463928 562971542 /nfs/dbraw/zinc/97/15/42/562971542.db2.gz ZVDYDUMMBIZODQ-IBGZPJMESA-N 0 0 444.553 2.967 50 0 IFAARN Cc1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n(-c2ccccc2)n1 ZINC000009465560 562971585 /nfs/dbraw/zinc/97/15/85/562971585.db2.gz QRPKPPFYSUMPGJ-UHFFFAOYSA-N 0 0 449.435 2.973 50 0 IFAARN CCOC(=O)c1sc2nc(C)nc(NCCc3ccc(S(N)(=O)=O)cc3)c2c1C ZINC000009508945 562972572 /nfs/dbraw/zinc/97/25/72/562972572.db2.gz CMYAQORHDCQSCE-UHFFFAOYSA-N 0 0 434.543 2.787 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1 ZINC000009509025 562972577 /nfs/dbraw/zinc/97/25/77/562972577.db2.gz AEXMFNJUMIYYOG-UHFFFAOYSA-N 0 0 436.574 2.961 50 0 IFAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)c1ccc(O)cc1O ZINC000009520035 562972955 /nfs/dbraw/zinc/97/29/55/562972955.db2.gz NNKLAKGMCZHDNB-UHFFFAOYSA-N 0 0 435.527 2.870 50 0 IFAARN Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c3ccccc3n2)o1 ZINC000009544347 562973106 /nfs/dbraw/zinc/97/31/06/562973106.db2.gz FPTQQAUGYOFOLF-HNNXBMFYSA-N 0 0 442.493 2.606 50 0 IFAARN COc1ccc(Br)cc1-c1nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)n1C ZINC000009546102 562973194 /nfs/dbraw/zinc/97/31/94/562973194.db2.gz QJTLLDWFHIQWEP-UHFFFAOYSA-N 0 0 441.285 2.910 50 0 IFAARN O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)Nc1ccccc1 ZINC000009578289 562973451 /nfs/dbraw/zinc/97/34/51/562973451.db2.gz ULWZQLDWDJDCRW-UHFFFAOYSA-N 0 0 432.509 2.828 50 0 IFAARN CCOc1ccccc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000009580219 562973542 /nfs/dbraw/zinc/97/35/42/562973542.db2.gz BDXWZQDDAWXFHA-ZIFCJYIRSA-N 0 0 442.512 2.933 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2cccc[n+]2[O-])c1 ZINC000009580481 562973550 /nfs/dbraw/zinc/97/35/50/562973550.db2.gz IRMHGGHBPSIIQW-UHFFFAOYSA-N 0 0 429.951 2.735 50 0 IFAARN COc1cc(C2=NN(C(C)=O)[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC ZINC000009584489 562973593 /nfs/dbraw/zinc/97/35/93/562973593.db2.gz MQNUQTPEQADAKH-QFIPXVFZSA-N 0 0 446.456 2.977 50 0 IFAARN O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000009585940 562973631 /nfs/dbraw/zinc/97/36/31/562973631.db2.gz XZKQDPLVMZYKMP-UHFFFAOYSA-N 0 0 435.358 2.936 50 0 IFAARN CCOc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000009588242 562973679 /nfs/dbraw/zinc/97/36/79/562973679.db2.gz SRHMPXOOYUUPCT-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN COc1ccccc1-c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)[nH]n1 ZINC000009610963 562974071 /nfs/dbraw/zinc/97/40/71/562974071.db2.gz FMZDFCXQOCGGJK-UHFFFAOYSA-N 0 0 440.525 2.540 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000009631156 562974422 /nfs/dbraw/zinc/97/44/22/562974422.db2.gz AQMDZRLLMJTHHL-UHFFFAOYSA-N 0 0 435.477 2.541 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@@H]1C ZINC000009632555 562974489 /nfs/dbraw/zinc/97/44/89/562974489.db2.gz RXRYRPFYOSLBSI-HLIPFELVSA-N 0 0 436.574 2.959 50 0 IFAARN COc1ccc(CN(C)CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1F ZINC000009671805 562975146 /nfs/dbraw/zinc/97/51/46/562975146.db2.gz GEABEIILZMMZKS-UHFFFAOYSA-N 0 0 435.521 2.689 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3OC)o2)cc1 ZINC000009673824 562975333 /nfs/dbraw/zinc/97/53/33/562975333.db2.gz GVJJHRBXQJCKPP-UHFFFAOYSA-N 0 0 428.470 2.748 50 0 IFAARN CCn1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009725640 562976088 /nfs/dbraw/zinc/97/60/88/562976088.db2.gz FIHWNQHTWYGRAK-IAGOWNOFSA-N 0 0 445.585 2.924 50 0 IFAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000009743246 562976361 /nfs/dbraw/zinc/97/63/61/562976361.db2.gz LWIGYQMBQSQXMY-GOSISDBHSA-N 0 0 433.505 2.514 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1ccc(F)c(F)c1 ZINC000009761911 562976587 /nfs/dbraw/zinc/97/65/87/562976587.db2.gz BRSJQFXLCVBFHY-UHFFFAOYSA-N 0 0 447.369 2.844 50 0 IFAARN CC[C@H](C)NC(=O)CNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2ccccc21 ZINC000009776014 562976772 /nfs/dbraw/zinc/97/67/72/562976772.db2.gz QWZSGRDELACMRZ-ZDUSSCGKSA-N 0 0 442.903 2.692 50 0 IFAARN CCN(CC(=O)Nc1ccc(Br)cc1)C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000009961358 562977986 /nfs/dbraw/zinc/97/79/86/562977986.db2.gz NLCDPBLSZFXLPK-UHFFFAOYSA-N 0 0 431.294 2.604 50 0 IFAARN Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1 ZINC000010021770 562978299 /nfs/dbraw/zinc/97/82/99/562978299.db2.gz YKFUUACFNZLTPW-UHFFFAOYSA-N 0 0 429.542 2.868 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000012292168 562980969 /nfs/dbraw/zinc/98/09/69/562980969.db2.gz VIDGKUXEHFUWDZ-IBGZPJMESA-N 0 0 448.516 2.581 50 0 IFAARN COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)n2)c1 ZINC000012864637 562983307 /nfs/dbraw/zinc/98/33/07/562983307.db2.gz GNESOCQLAHPJRI-OKILXGFUSA-N 0 0 429.498 2.941 50 0 IFAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000012882842 562983378 /nfs/dbraw/zinc/98/33/78/562983378.db2.gz FGWIRGNEJNSCEJ-KDOFPFPSSA-N 0 0 429.464 2.946 50 0 IFAARN COc1ccccc1C(=O)NCCC(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000012916267 562983535 /nfs/dbraw/zinc/98/35/35/562983535.db2.gz JTKASHSFHWQLMA-UHFFFAOYSA-N 0 0 448.317 2.675 50 0 IFAARN Cc1ccccc1-c1nnn(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000012942106 562983623 /nfs/dbraw/zinc/98/36/23/562983623.db2.gz PPAJTYAAQXTLHT-UHFFFAOYSA-N 0 0 432.406 2.764 50 0 IFAARN COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000012985316 562983739 /nfs/dbraw/zinc/98/37/39/562983739.db2.gz FNZYWRTXOOCAHH-QGZVFWFLSA-N 0 0 448.566 2.683 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000013012616 562984112 /nfs/dbraw/zinc/98/41/12/562984112.db2.gz XIRKELXDLZIZHY-IBGZPJMESA-N 0 0 425.485 2.512 50 0 IFAARN COc1ccc(Nc2nc(O)c(CC(=O)NCCc3ccc(OC)c(OC)c3)s2)cc1 ZINC000013144238 562985249 /nfs/dbraw/zinc/98/52/49/562985249.db2.gz PJWJEGYONSFCBF-IBGZPJMESA-N 0 0 443.525 2.871 50 0 IFAARN CN1CCN(c2nc3c(S(=O)(=O)c4cccc(Cl)c4)nnn3c3ccsc32)CC1 ZINC000015678465 563017953 /nfs/dbraw/zinc/01/79/53/563017953.db2.gz GQQLPIJOQJKGJD-UHFFFAOYSA-N 0 0 448.961 2.577 50 0 IFAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1ccc2c(c1)OCO2 ZINC000015894643 563018314 /nfs/dbraw/zinc/01/83/14/563018314.db2.gz SWIHSGJVCDPAMP-UHFFFAOYSA-N 0 0 431.857 2.935 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCc3ccc(Cl)cc3)cc2C[C@H]1C ZINC000015935535 563018607 /nfs/dbraw/zinc/01/86/07/563018607.db2.gz AEBJXNQLSDBDBH-CQSZACIVSA-N 0 0 449.960 2.622 50 0 IFAARN COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000015941661 563019551 /nfs/dbraw/zinc/01/95/51/563019551.db2.gz GJBUSMZGZFQQGU-ZDUSSCGKSA-N 0 0 434.539 2.608 50 0 IFAARN CCOc1ccc(CCNS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1OCC ZINC000015941752 563019595 /nfs/dbraw/zinc/01/95/95/563019595.db2.gz YMOBSPVJLOAVGV-UHFFFAOYSA-N 0 0 434.514 2.644 50 0 IFAARN COc1ccc(CNC(=O)CS(=O)(=O)Cc2nc(-c3ccc(OC)cc3)oc2C)cc1 ZINC000015944290 563020252 /nfs/dbraw/zinc/02/02/52/563020252.db2.gz POWOYLAFEACUGG-UHFFFAOYSA-N 0 0 444.509 2.898 50 0 IFAARN O=C(CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1 ZINC000015962692 563020474 /nfs/dbraw/zinc/02/04/74/563020474.db2.gz YQJMIOGLBAYDFL-UHFFFAOYSA-N 0 0 425.913 2.814 50 0 IFAARN O=C(NCc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000015962889 563020639 /nfs/dbraw/zinc/02/06/39/563020639.db2.gz OKSBRRUYVWEMQX-AWEZNQCLSA-N 0 0 434.905 2.593 50 0 IFAARN CCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000019625946 563022866 /nfs/dbraw/zinc/02/28/66/563022866.db2.gz CQQQBRKVLLQKLB-UHFFFAOYSA-N 0 0 431.436 2.711 50 0 IFAARN CCN1CCN(C(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4F)c3c2=O)CC1 ZINC000020415840 563024809 /nfs/dbraw/zinc/02/48/09/563024809.db2.gz MVMPVTHDBMKPSB-UHFFFAOYSA-N 0 0 447.514 2.703 50 0 IFAARN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000035400026 563089922 /nfs/dbraw/zinc/08/99/22/563089922.db2.gz ZDOMZTAEDOPKEF-HNNXBMFYSA-N 0 0 430.505 2.520 50 0 IFAARN CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)CC1 ZINC000040005469 563099298 /nfs/dbraw/zinc/09/92/98/563099298.db2.gz URQKJALTZFEWNR-UHFFFAOYSA-N 0 0 438.347 2.638 50 0 IFAARN CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(OC)cc1OC)CCO2 ZINC000055052719 563142311 /nfs/dbraw/zinc/14/23/11/563142311.db2.gz SWSISSHEQPNNTE-JOCHJYFZSA-N 0 0 439.556 2.809 50 0 IFAARN CCN1CCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000058042686 563143231 /nfs/dbraw/zinc/14/32/31/563143231.db2.gz RMKSVOYPBVQKAB-UHFFFAOYSA-N 0 0 445.523 2.664 50 0 IFAARN COc1ccc2c(c1)C[C@@H](C(=O)NCCN1CCN(c3cccc(Cl)c3)CC1)CO2 ZINC000059560464 563146616 /nfs/dbraw/zinc/14/66/16/563146616.db2.gz KIKATQGHXNCHLN-GOSISDBHSA-N 0 0 429.948 2.838 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000022928931 568612902 /nfs/dbraw/zinc/61/29/02/568612902.db2.gz WVTDJTXGNQEPDZ-LJQANCHMSA-N 0 0 426.536 2.876 50 0 IFAARN COc1ccc(-c2csc(C3=C(N)N([C@H]4CCS(=O)(=O)C4)CC3=O)n2)cc1OC ZINC000102732418 568621524 /nfs/dbraw/zinc/62/15/24/568621524.db2.gz HADVVCMRMJTYDT-LBPRGKRZSA-N 0 0 435.527 2.576 50 0 IFAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O ZINC000044840542 568625407 /nfs/dbraw/zinc/62/54/07/568625407.db2.gz OSJNBORMKQPJJD-QGZVFWFLSA-N 0 0 438.503 2.622 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCOCC2)c2cccnc12 ZINC000048332813 568625673 /nfs/dbraw/zinc/62/56/73/568625673.db2.gz JBPHTXMDRQSWIE-LJQANCHMSA-N 0 0 427.526 2.595 50 0 IFAARN Cc1nc(N2CCC(NS(=O)(=O)c3cn(C)c(C(C)C)n3)CC2)cc(C(F)(F)F)n1 ZINC000585149529 568627345 /nfs/dbraw/zinc/62/73/45/568627345.db2.gz ZNSOGQQFSDOEHT-UHFFFAOYSA-N 0 0 446.499 2.608 50 0 IFAARN COc1ccc(N2C(=O)N[C@H](CCC(=O)NCCCc3nc4ccccc4[nH]3)C2=O)cc1 ZINC000248139579 568633891 /nfs/dbraw/zinc/63/38/91/568633891.db2.gz PGWNLBUZXZWGCR-LJQANCHMSA-N 0 0 435.484 2.526 50 0 IFAARN COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc(OC)c1 ZINC000015075828 568636110 /nfs/dbraw/zinc/63/61/10/568636110.db2.gz HMWKSQHTNALWMC-UHFFFAOYSA-N 0 0 440.905 2.630 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2N)cc1 ZINC000000938920 568639258 /nfs/dbraw/zinc/63/92/58/568639258.db2.gz GTIKKSRNHJLPNL-UHFFFAOYSA-N 0 0 427.486 2.575 50 0 IFAARN O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000019079447 568640175 /nfs/dbraw/zinc/64/01/75/568640175.db2.gz LBTXTMCGZBIWNT-UHFFFAOYSA-N 0 0 428.539 2.937 50 0 IFAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000025336345 568652803 /nfs/dbraw/zinc/65/28/03/568652803.db2.gz WCTOULJGZJZYFZ-UHFFFAOYSA-N 0 0 449.887 2.960 50 0 IFAARN CCNC(=O)C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1cccc(F)c1 ZINC000001071889 568655081 /nfs/dbraw/zinc/65/50/81/568655081.db2.gz OBIJLIMGUIGSCP-INIZCTEOSA-N 0 0 448.907 2.652 50 0 IFAARN NC(=O)C1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 ZINC000001105127 568660552 /nfs/dbraw/zinc/66/05/52/568660552.db2.gz IMQUEWODBSANSS-DEOSSOPVSA-N 0 0 437.565 2.841 50 0 IFAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCNC(=O)c1ccccc1 ZINC000025519882 568661025 /nfs/dbraw/zinc/66/10/25/568661025.db2.gz AESYEGIRIVIKCH-SFHVURJKSA-N 0 0 433.961 2.738 50 0 IFAARN COc1ccnc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)n1 ZINC000015143625 568722179 /nfs/dbraw/zinc/72/21/79/568722179.db2.gz YVKUULKQRIHSJF-UHFFFAOYSA-N 0 0 436.843 2.668 50 0 IFAARN Cc1nc2sc3c(c2c(N2CCN(Cc4cc(=O)n5ccsc5n4)CC2)n1)CCC3 ZINC000015143824 568722752 /nfs/dbraw/zinc/72/27/52/568722752.db2.gz AOFXWGMEKNISHN-UHFFFAOYSA-N 0 0 438.582 2.880 50 0 IFAARN CC(=O)O[C@@H]1O[C@]23CC[C@@]4(O)C[C@@H](O)CC[C@]14[C@@H]2CC[C@@]1(C)[C@H](C2=CC(=O)OC2)CC[C@@H]13 ZINC000257349864 568731273 /nfs/dbraw/zinc/73/12/73/568731273.db2.gz RXXZRNNOAJTUSW-RIRLLWDZSA-N 0 0 446.540 2.626 50 0 IFAARN CC(=O)O[C@H]1O[C@]23CC[C@@]4(O)C[C@@H](O)CC[C@]14[C@@H]2CC[C@]1(C)[C@H](C2=CC(=O)OC2)CC[C@@H]13 ZINC000257349863 568731296 /nfs/dbraw/zinc/73/12/96/568731296.db2.gz RXXZRNNOAJTUSW-RBTOQMDQSA-N 0 0 446.540 2.626 50 0 IFAARN O=C1CN(C2CCCCCC2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 ZINC000063376416 568739656 /nfs/dbraw/zinc/73/96/56/568739656.db2.gz MMOFNVSYNNVNOS-QZTJIDSGSA-N 0 0 441.391 2.986 50 0 IFAARN COc1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccccc4)NN32)cc1 ZINC000137250489 568739883 /nfs/dbraw/zinc/73/98/83/568739883.db2.gz NLMCXSHTDFCHFB-QFIPXVFZSA-N 0 0 428.517 2.772 50 0 IFAARN O=C(COC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc2nsnc21 ZINC000019108416 568740090 /nfs/dbraw/zinc/74/00/90/568740090.db2.gz ZVODTAOPLLNTOI-UHFFFAOYSA-N 0 0 437.481 2.590 50 0 IFAARN COCCn1c(=O)c2cccnc2nc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000031616133 568741013 /nfs/dbraw/zinc/74/10/13/568741013.db2.gz NXHWBFMSAUPMBB-UHFFFAOYSA-N 0 0 428.558 2.615 50 0 IFAARN CCOC(=O)C1=C(Cn2cnc3sccc3c2=O)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000031641327 568741344 /nfs/dbraw/zinc/74/13/44/568741344.db2.gz CQTLEMXXJJXGOE-INIZCTEOSA-N 0 0 444.900 2.983 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CCC2 ZINC000003268330 568744373 /nfs/dbraw/zinc/74/43/73/568744373.db2.gz QHVSCKAWCKCYBM-UHFFFAOYSA-N 0 0 433.555 2.763 50 0 IFAARN Cc1cc(=O)oc2cc(OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)c(Cl)cc12 ZINC000019132587 568745012 /nfs/dbraw/zinc/74/50/12/568745012.db2.gz WPPCLUMKHCHDJT-AWEZNQCLSA-N 0 0 441.933 2.805 50 0 IFAARN C[C@@H](COc1ccccc1)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003406883 568748713 /nfs/dbraw/zinc/74/87/13/568748713.db2.gz YEBUJAGQAMYNNB-HNNXBMFYSA-N 0 0 439.917 2.985 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(F)cc1Cl ZINC000003489108 568750219 /nfs/dbraw/zinc/75/02/19/568750219.db2.gz FFLXAONXYFKYLT-GOSISDBHSA-N 0 0 442.896 2.964 50 0 IFAARN COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003521176 568750326 /nfs/dbraw/zinc/75/03/26/568750326.db2.gz OAWYBWCEPOHQGX-ZDUSSCGKSA-N 0 0 428.466 2.680 50 0 IFAARN O=C(CSc1ccccc1C(=O)OCCN1C(=O)c2ccccc2C1=O)N1CCCC1 ZINC000003528832 568750475 /nfs/dbraw/zinc/75/04/75/568750475.db2.gz PCWNOEKWYUTLHL-UHFFFAOYSA-N 0 0 438.505 2.854 50 0 IFAARN COc1ccc(C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000334158044 568750839 /nfs/dbraw/zinc/75/08/39/568750839.db2.gz KENKRGZIOIPFCE-MRXNPFEDSA-N 0 0 441.509 2.601 50 0 IFAARN COc1ccc(-c2cc(=NC(=O)Cc3ccccc3)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158031 568750914 /nfs/dbraw/zinc/75/09/14/568750914.db2.gz JDRUMYPZPNZFFH-SFHVURJKSA-N 0 0 425.510 2.521 50 0 IFAARN COc1cccc(Cc2cc(C(=O)N3CCN(C(=O)c4ccccc4OC)CC3)on2)c1 ZINC000299761026 568755768 /nfs/dbraw/zinc/75/57/68/568755768.db2.gz QHRMEUUTBAIQTA-UHFFFAOYSA-N 0 0 435.480 2.881 50 0 IFAARN CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1CN1CCC[C@H](C(N)=O)C1 ZINC000299765655 568756118 /nfs/dbraw/zinc/75/61/18/568756118.db2.gz BLJVTJXXRAGLNY-AWEZNQCLSA-N 0 0 441.919 2.948 50 0 IFAARN CN(C[C@@H]1CCCCO1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299766782 568756392 /nfs/dbraw/zinc/75/63/92/568756392.db2.gz HEYBRJJMVCSUPM-SQJMNOBHSA-N 0 0 435.524 2.696 50 0 IFAARN Cc1noc(C)c1C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000299785042 568757248 /nfs/dbraw/zinc/75/72/48/568757248.db2.gz QFSRWBBJYQJUHK-LJQANCHMSA-N 0 0 442.585 2.940 50 0 IFAARN COCCn1ccc2c1cccc2OCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000263587011 568760216 /nfs/dbraw/zinc/76/02/16/568760216.db2.gz BBKRNTNSODYCQJ-UHFFFAOYSA-N 0 0 443.525 2.845 50 0 IFAARN Cc1c(C)[n+]([O-])c([C@H](c2ccncc2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 ZINC000263587291 568760442 /nfs/dbraw/zinc/76/04/42/568760442.db2.gz FGMUJBIVZRLXDK-LJQANCHMSA-N 0 0 435.480 2.766 50 0 IFAARN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc4c(c3)OCO4)cc(C(C)C)nc21 ZINC000032031823 568762068 /nfs/dbraw/zinc/76/20/68/568762068.db2.gz DINRECHVARBLAM-UHFFFAOYSA-N 0 0 438.484 2.523 50 0 IFAARN O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000015434382 568762125 /nfs/dbraw/zinc/76/21/25/568762125.db2.gz KOJUDDHXFSVGTL-UHFFFAOYSA-N 0 0 427.448 2.818 50 0 IFAARN COC(=O)CSc1nc2nc3c(cc2c(=O)n1-c1ccc(OC)cc1)COC(C)(C)C3 ZINC000001239735 568774323 /nfs/dbraw/zinc/77/43/23/568774323.db2.gz TVNCODWHOJBGBR-UHFFFAOYSA-N 0 0 441.509 2.906 50 0 IFAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5OC)CC4)c3CO2)cc1 ZINC000263615266 568775910 /nfs/dbraw/zinc/77/59/10/568775910.db2.gz BNIZBGSIPXXHJI-JOCHJYFZSA-N 0 0 449.511 2.529 50 0 IFAARN O=C(CCc1ccccc1)N1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2F)C3)CC1 ZINC000263616234 568776475 /nfs/dbraw/zinc/77/64/75/568776475.db2.gz HRZSIXUEUJSEDY-XMMPIXPASA-N 0 0 449.530 2.966 50 0 IFAARN O=C(c1nnn2cc(-c3ccc(Cl)cc3)[nH]c(=O)c12)N1CCN(c2ccccn2)CC1 ZINC000263619082 568777829 /nfs/dbraw/zinc/77/78/29/568777829.db2.gz WUNKQKLYXLJPKT-UHFFFAOYSA-N 0 0 435.875 2.508 50 0 IFAARN NC(=O)CN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)C1=O ZINC000032104335 568781095 /nfs/dbraw/zinc/78/10/95/568781095.db2.gz ONBCQUSNPBYMNY-JOCHJYFZSA-N 0 0 444.476 2.592 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1 ZINC000032123923 568781730 /nfs/dbraw/zinc/78/17/30/568781730.db2.gz VADTYELJKXAGLQ-RBBKRZOGSA-N 0 0 434.496 2.860 50 0 IFAARN CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000015478163 568787091 /nfs/dbraw/zinc/78/70/91/568787091.db2.gz BBLMIKQIDYETOK-UHFFFAOYSA-N 0 0 425.304 2.563 50 0 IFAARN Cc1oc(C)c(C(=O)O[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)c1Br ZINC000084008232 568789709 /nfs/dbraw/zinc/78/97/09/568789709.db2.gz FCRJTNWWCKGJAU-IUODEOHRSA-N 0 0 429.311 2.564 50 0 IFAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ncnc4c3cnn4C)nc2n1 ZINC000084109922 568792993 /nfs/dbraw/zinc/79/29/93/568792993.db2.gz DBUPKCNXZOWUCF-UHFFFAOYSA-N 0 0 445.512 2.962 50 0 IFAARN CCOC(=O)Cn1nc(C)c(NC(=O)c2ccccc2I)c1C ZINC000001426768 568793945 /nfs/dbraw/zinc/79/39/45/568793945.db2.gz JWDRDIWDAIPNCC-UHFFFAOYSA-N 0 0 427.242 2.920 50 0 IFAARN COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1cc(=O)n2ccccc2n1)CCS3 ZINC000001427157 568793954 /nfs/dbraw/zinc/79/39/54/568793954.db2.gz PHMFKPIAVYAWMS-UHFFFAOYSA-N 0 0 431.477 2.522 50 0 IFAARN O=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CO[C@@H]2C=CC=C[C@@H]2O1 ZINC000223290377 568794130 /nfs/dbraw/zinc/79/41/30/568794130.db2.gz FPKARSCPTNRBHY-SQNIBIBYSA-N 0 0 437.323 2.993 50 0 IFAARN COc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2cccc(C)c2)cc1OC ZINC000001430539 568794850 /nfs/dbraw/zinc/79/48/50/568794850.db2.gz WQXCOMQFJKULFM-UHFFFAOYSA-N 0 0 445.479 2.668 50 0 IFAARN CCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)cc1OC ZINC000059348787 568795415 /nfs/dbraw/zinc/79/54/15/568795415.db2.gz UZZRHPWPONCMPS-UHFFFAOYSA-N 0 0 425.894 2.566 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)Cn2c3ccccc3oc2=O)c1C ZINC000084218785 568796278 /nfs/dbraw/zinc/79/62/78/568796278.db2.gz NRRIWJJTUAJDOT-GOSISDBHSA-N 0 0 437.496 2.858 50 0 IFAARN O=C(CN1CCn2cccc2[C@@H]1c1ccccc1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000084525727 568798634 /nfs/dbraw/zinc/79/86/34/568798634.db2.gz ITKSIONSXRUPDD-QPPBQGQZSA-N 0 0 441.597 2.851 50 0 IFAARN C[C@H](Cn1cncn1)NC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 ZINC000084647119 568799606 /nfs/dbraw/zinc/79/96/06/568799606.db2.gz KHJUSQXTMMXQIE-CQSZACIVSA-N 0 0 446.577 2.537 50 0 IFAARN C[C@@H](Cn1cncn1)NC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 ZINC000084647116 568799629 /nfs/dbraw/zinc/79/96/29/568799629.db2.gz KHJUSQXTMMXQIE-AWEZNQCLSA-N 0 0 446.577 2.537 50 0 IFAARN C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(C[C@H](O)c2cccc(Br)c2)C1=O ZINC000084668124 568799783 /nfs/dbraw/zinc/79/97/83/568799783.db2.gz SVCFVQZJIOWQJF-YWZLYKJASA-N 0 0 447.285 2.764 50 0 IFAARN CN(C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccc(Br)cc1 ZINC000015674800 568803567 /nfs/dbraw/zinc/80/35/67/568803567.db2.gz LKHQYQUXBIMNAZ-UHFFFAOYSA-N 0 0 426.336 2.849 50 0 IFAARN CCc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000015680152 568805842 /nfs/dbraw/zinc/80/58/42/568805842.db2.gz GRKSZUDWUOWJBZ-QHCPKHFHSA-N 0 0 449.617 2.845 50 0 IFAARN COc1ccc(CC(=O)N2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)cc1OC ZINC000015680670 568806237 /nfs/dbraw/zinc/80/62/37/568806237.db2.gz OJPNJKQUHCIPGV-UHFFFAOYSA-N 0 0 434.496 2.621 50 0 IFAARN COc1ccc(CC(=O)N2CCN(C(=O)c3cc(-c4ccc(OC)cc4)n[nH]3)CC2)cc1 ZINC000015680685 568806555 /nfs/dbraw/zinc/80/65/55/568806555.db2.gz USJJDCSDXRLZTA-UHFFFAOYSA-N 0 0 434.496 2.621 50 0 IFAARN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O ZINC000015720896 568811912 /nfs/dbraw/zinc/81/19/12/568811912.db2.gz KZYCKKNKFKOMNV-CXAGYDPISA-N 0 0 431.489 2.874 50 0 IFAARN Cc1ccsc1CCNS(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1 ZINC000015720847 568811919 /nfs/dbraw/zinc/81/19/19/568811919.db2.gz TYPPYFJTIFDIRZ-UHFFFAOYSA-N 0 0 447.563 2.830 50 0 IFAARN C[C@H]1CSc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2NC1=O ZINC000015730742 568814227 /nfs/dbraw/zinc/81/42/27/568814227.db2.gz GCIJMMYLPLCTAA-INIZCTEOSA-N 0 0 431.583 2.873 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)CC1 ZINC000015733707 568816017 /nfs/dbraw/zinc/81/60/17/568816017.db2.gz BRBYNEPEOUVOGY-UHFFFAOYSA-N 0 0 428.510 2.773 50 0 IFAARN COc1ccc(-n2ccn3c(CCC(=O)NCc4ccccc4Cl)nnc3c2=O)cc1 ZINC000015736413 568817300 /nfs/dbraw/zinc/81/73/00/568817300.db2.gz QVQGVZAWBHHHJE-UHFFFAOYSA-N 0 0 437.887 2.791 50 0 IFAARN COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(OC)c2c(c1OC)OCO2 ZINC000085413075 568817867 /nfs/dbraw/zinc/81/78/67/568817867.db2.gz KOGGJXCOXPDSQM-LIRRHRJNSA-N 0 0 426.377 2.605 50 0 IFAARN COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2c(c(OC)c1OC)OCO2 ZINC000085413052 568818600 /nfs/dbraw/zinc/81/86/00/568818600.db2.gz UUFLUGRCQIXCBE-AUUYWEPGSA-N 0 0 426.377 2.605 50 0 IFAARN COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2c(c(OC)c1OC)OCO2 ZINC000085413048 568818642 /nfs/dbraw/zinc/81/86/42/568818642.db2.gz UUFLUGRCQIXCBE-LIRRHRJNSA-N 0 0 426.377 2.605 50 0 IFAARN COC(=O)Cn1c(=O)sc2c1nc1c(cnn1C(C)C)c2-c1ccc2c(c1)OCO2 ZINC000085412662 568818682 /nfs/dbraw/zinc/81/86/82/568818682.db2.gz IPWUBFDPPZQROU-UHFFFAOYSA-N 0 0 426.454 2.957 50 0 IFAARN COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000015768613 568822133 /nfs/dbraw/zinc/82/21/33/568822133.db2.gz VBRBTXUDYVZIRZ-UHFFFAOYSA-N 0 0 428.510 2.797 50 0 IFAARN Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000015768660 568822135 /nfs/dbraw/zinc/82/21/35/568822135.db2.gz DQRJVNPXCJECBO-UHFFFAOYSA-N 0 0 426.538 2.774 50 0 IFAARN C[C@@H](CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000015768920 568822169 /nfs/dbraw/zinc/82/21/69/568822169.db2.gz KLRXVUOQHJPYNQ-HNNXBMFYSA-N 0 0 444.528 2.994 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)Nc1cccc(C)c1 ZINC000015775570 568823454 /nfs/dbraw/zinc/82/34/54/568823454.db2.gz GYAHGYLUASOOBA-NRFANRHFSA-N 0 0 427.526 2.696 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCCC1=CCCCC1 ZINC000015775552 568823456 /nfs/dbraw/zinc/82/34/56/568823456.db2.gz GQFWCNQTTOLMJW-JOCHJYFZSA-N 0 0 445.585 2.755 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)Nc1cccc(F)c1 ZINC000015775617 568823477 /nfs/dbraw/zinc/82/34/77/568823477.db2.gz JIZVBMYDWMTMPG-NRFANRHFSA-N 0 0 445.516 2.917 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1OC ZINC000015780570 568825299 /nfs/dbraw/zinc/82/52/99/568825299.db2.gz GKOQIQLLHTUFJV-UHFFFAOYSA-N 0 0 446.934 2.698 50 0 IFAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCc4ccccc4)C3)ccc21 ZINC000015784401 568827386 /nfs/dbraw/zinc/82/73/86/568827386.db2.gz AONBFEMFZYEHHG-FQEVSTJZSA-N 0 0 425.554 2.938 50 0 IFAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)Cn1cc(I)cn1 ZINC000223439648 568828281 /nfs/dbraw/zinc/82/82/81/568828281.db2.gz OFQCHRBLLGYAES-UHFFFAOYSA-N 0 0 426.233 2.775 50 0 IFAARN CCCCn1c2nn(CC(=O)c3ccc(OCC)cc3)c(=O)n2c2ccsc2c1=O ZINC000085641244 568828730 /nfs/dbraw/zinc/82/87/30/568828730.db2.gz JOUWDQDCALWTCJ-UHFFFAOYSA-N 0 0 426.498 2.954 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C)cc5)nn4ccn3c2=O)cc1 ZINC000085643017 568829463 /nfs/dbraw/zinc/82/94/63/568829463.db2.gz LZUJMOWYUCQADM-UHFFFAOYSA-N 0 0 428.452 2.766 50 0 IFAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(F)cc1 ZINC000085644836 568829688 /nfs/dbraw/zinc/82/96/88/568829688.db2.gz HQDLJCDXFDBKDV-UHFFFAOYSA-N 0 0 431.493 2.774 50 0 IFAARN Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)c1 ZINC000085650898 568830878 /nfs/dbraw/zinc/83/08/78/568830878.db2.gz HVCKKKGHZYCYFI-UHFFFAOYSA-N 0 0 446.573 2.907 50 0 IFAARN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC(=O)N1CCCC1 ZINC000085651593 568831502 /nfs/dbraw/zinc/83/15/02/568831502.db2.gz YFLZVBCNKHYDGK-UHFFFAOYSA-N 0 0 431.539 2.795 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)cc1 ZINC000085651007 568831648 /nfs/dbraw/zinc/83/16/48/568831648.db2.gz WQKMIKKFBNUEHN-QGZVFWFLSA-N 0 0 444.557 2.599 50 0 IFAARN COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)NC(C)(C)C ZINC000085652092 568832183 /nfs/dbraw/zinc/83/21/83/568832183.db2.gz BNWHXBIEJIIOMX-UHFFFAOYSA-N 0 0 432.502 2.590 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1 ZINC000085654282 568833457 /nfs/dbraw/zinc/83/34/57/568833457.db2.gz SRHBULVXVNAXEW-UHFFFAOYSA-N 0 0 438.553 2.696 50 0 IFAARN O=c1ccc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nn1-c1ccc(Cl)cc1 ZINC000085654393 568833477 /nfs/dbraw/zinc/83/34/77/568833477.db2.gz AWRNLRFMMARHPM-UHFFFAOYSA-N 0 0 448.907 2.536 50 0 IFAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(C)nn(CC(=O)NCCc1ccco1)c2=O ZINC000015787042 568836320 /nfs/dbraw/zinc/83/63/20/568836320.db2.gz IQONPWBHDMBWMI-UHFFFAOYSA-N 0 0 425.876 2.804 50 0 IFAARN CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020419252 568837113 /nfs/dbraw/zinc/83/71/13/568837113.db2.gz YJLKRMZRFBULRE-FQEVSTJZSA-N 0 0 426.513 2.566 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCC3)cc1 ZINC000015822816 568840066 /nfs/dbraw/zinc/84/00/66/568840066.db2.gz CWZBGCPLMWASRW-UHFFFAOYSA-N 0 0 435.571 2.879 50 0 IFAARN COC(=O)c1cnn(-c2ccc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)cc2)c1N ZINC000015825761 568840509 /nfs/dbraw/zinc/84/05/09/568840509.db2.gz UZLSXEGEPXWCDO-KRWDZBQOSA-N 0 0 433.512 2.900 50 0 IFAARN CCOC(=O)[C@H](C)NC(=O)N1CCC(c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000015828007 568841047 /nfs/dbraw/zinc/84/10/47/568841047.db2.gz IUFYONYLIFLLIX-AWEZNQCLSA-N 0 0 445.545 2.939 50 0 IFAARN COc1ccccc1NC(=O)Cn1nc2ccc(C(=O)Nc3ccc(C)cc3)cn2c1=O ZINC000015829563 568841478 /nfs/dbraw/zinc/84/14/78/568841478.db2.gz RUAAGXDXJSEPQI-UHFFFAOYSA-N 0 0 431.452 2.704 50 0 IFAARN CC1(C)O[C@H]2[C@@H](O1)[C@@H](COC(=O)c1ccccc1)OCO[C@H]2COC(=O)c1ccccc1 ZINC000037246165 568842393 /nfs/dbraw/zinc/84/23/93/568842393.db2.gz PWLCYBVEONJDMJ-UJOPUZHASA-N 0 0 442.464 2.962 50 0 IFAARN COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1OC ZINC000015858442 568846593 /nfs/dbraw/zinc/84/65/93/568846593.db2.gz HOBDVBCTAHQMLB-LLVKDONJSA-N 0 0 438.889 2.922 50 0 IFAARN NC(=O)c1nc(-c2ccc(F)c(Br)c2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 ZINC000015865178 568849921 /nfs/dbraw/zinc/84/99/21/568849921.db2.gz CAVHNWKUGNSYFD-UHFFFAOYSA-N 0 0 446.211 2.915 50 0 IFAARN Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)C[C@@H]2C)c1 ZINC000015866083 568850641 /nfs/dbraw/zinc/85/06/41/568850641.db2.gz LCIYLQRYMFWIIA-IBGZPJMESA-N 0 0 442.585 2.528 50 0 IFAARN CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(Cl)c(Cl)c1)c(=O)n2C ZINC000015880430 568853960 /nfs/dbraw/zinc/85/39/60/568853960.db2.gz SUSUAKJXWCFBBA-UHFFFAOYSA-N 0 0 437.283 2.748 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CN(C)CC4)cc2)C1 ZINC000015880109 568853972 /nfs/dbraw/zinc/85/39/72/568853972.db2.gz RDWROSDLGAWNRE-CQSZACIVSA-N 0 0 434.587 2.804 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CN(C)CC4)cc2)C1 ZINC000015880110 568854120 /nfs/dbraw/zinc/85/41/20/568854120.db2.gz RDWROSDLGAWNRE-AWEZNQCLSA-N 0 0 434.587 2.804 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 ZINC000015882164 568856867 /nfs/dbraw/zinc/85/68/67/568856867.db2.gz JAONQUMIMYRJJO-UHFFFAOYSA-N 0 0 426.498 2.790 50 0 IFAARN COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)c1 ZINC000015882590 568857061 /nfs/dbraw/zinc/85/70/61/568857061.db2.gz DTTHDJLGSRZOLS-QHCPKHFHSA-N 0 0 430.508 2.945 50 0 IFAARN O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)Nc1ccc2c(c1)OCO2 ZINC000015882767 568857230 /nfs/dbraw/zinc/85/72/30/568857230.db2.gz AKIZRJNZYUCUHD-UHFFFAOYSA-N 0 0 436.493 2.635 50 0 IFAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(F)cc1 ZINC000015883667 568857718 /nfs/dbraw/zinc/85/77/18/568857718.db2.gz VQFHIVJGFPOFKK-UHFFFAOYSA-N 0 0 430.505 2.701 50 0 IFAARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC)cc3OC)[C@H]4C2=O)cc1 ZINC000015894269 568858303 /nfs/dbraw/zinc/85/83/03/568858303.db2.gz UHQGAHOMMGNWMW-KDNSLJGTSA-N 0 0 436.464 2.638 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)cc1 ZINC000015894630 568858320 /nfs/dbraw/zinc/85/83/20/568858320.db2.gz CTNIKKQTBZWJAI-UHFFFAOYSA-N 0 0 434.481 2.798 50 0 IFAARN COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000015932744 568858889 /nfs/dbraw/zinc/85/88/89/568858889.db2.gz AMIPJHVYDQNLLJ-UHFFFAOYSA-N 0 0 442.459 2.790 50 0 IFAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@@H]3C=CC=NN23)cc1 ZINC000015974902 568861301 /nfs/dbraw/zinc/86/13/01/568861301.db2.gz ODRSGVPAKCIRNW-CBPXPLCBSA-N 0 0 443.459 2.517 50 0 IFAARN CCN(CC)C(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(F)cc3)cc2c1O ZINC000006181368 568868027 /nfs/dbraw/zinc/86/80/27/568868027.db2.gz JTLWBWNHXUIPOU-UHFFFAOYSA-N 0 0 431.489 2.974 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccn3c(=O)n1)CCCC2 ZINC000016048059 568869320 /nfs/dbraw/zinc/86/93/20/568869320.db2.gz YZMJAZAOIITZCN-UHFFFAOYSA-N 0 0 444.538 2.937 50 0 IFAARN Cc1cccc(-n2ccnc2SCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c1 ZINC000016126635 568871227 /nfs/dbraw/zinc/87/12/27/568871227.db2.gz NEUURCZNJFQUIR-OAHLLOKOSA-N 0 0 442.566 2.898 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1OC ZINC000012948168 568871489 /nfs/dbraw/zinc/87/14/89/568871489.db2.gz LYJOMASJZHVERQ-WBMJQRKESA-N 0 0 430.432 2.517 50 0 IFAARN CCOc1ccc(CCNC(=O)Cn2nnc(-c3cccc(OC)c3)n2)cc1OCC ZINC000012947337 568871532 /nfs/dbraw/zinc/87/15/32/568871532.db2.gz JJDPIBGAHALVPI-UHFFFAOYSA-N 0 0 425.489 2.505 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=S)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)C1 ZINC000016237792 568874721 /nfs/dbraw/zinc/87/47/21/568874721.db2.gz GZZUSPOSMBLEJU-INIZCTEOSA-N 0 0 441.619 2.997 50 0 IFAARN COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CCc1cc(Br)ccc1OC(F)F ZINC000225633377 568875898 /nfs/dbraw/zinc/87/58/98/568875898.db2.gz ADGUZFXRDCFUNX-QWHCGFSZSA-N 0 0 436.249 2.772 50 0 IFAARN O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575608189 568878445 /nfs/dbraw/zinc/87/84/45/568878445.db2.gz WXWFQHGWBRDMEI-MRXNPFEDSA-N 0 0 436.299 2.705 50 0 IFAARN CN1c2cc(F)c(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2N(C)S1(=O)=O ZINC000575611450 568879102 /nfs/dbraw/zinc/87/91/02/568879102.db2.gz FTDZMERTGZLPCU-LBPRGKRZSA-N 0 0 442.513 2.542 50 0 IFAARN O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 ZINC000575611948 568879216 /nfs/dbraw/zinc/87/92/16/568879216.db2.gz HDFOJOGOGNEAQK-HNNXBMFYSA-N 0 0 430.299 2.751 50 0 IFAARN O=S(=O)(NCc1ccc(-c2ccoc2)o1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000575611863 568879276 /nfs/dbraw/zinc/87/92/76/568879276.db2.gz YTISQUFSVQFOJV-UHFFFAOYSA-N 0 0 436.511 2.948 50 0 IFAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccsc3)o2)c1 ZINC000575611847 568879285 /nfs/dbraw/zinc/87/92/85/568879285.db2.gz YJDQJNQZNMXMCS-AWEZNQCLSA-N 0 0 437.495 2.815 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O ZINC000575613883 568879784 /nfs/dbraw/zinc/87/97/84/568879784.db2.gz XPQBABMGWFMUCD-UHFFFAOYSA-N 0 0 428.873 2.810 50 0 IFAARN CN1c2ccc(F)cc2N(CCNC(=O)COc2ccc(Cl)cc2Cl)S1(=O)=O ZINC000575613928 568879964 /nfs/dbraw/zinc/87/99/64/568879964.db2.gz YGBVTYVBDVMPQV-UHFFFAOYSA-N 0 0 448.303 2.829 50 0 IFAARN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccc2c(c1)OCCCO2 ZINC000064029904 568882075 /nfs/dbraw/zinc/88/20/75/568882075.db2.gz DOFFQGAICLEGPT-CYBMUJFWSA-N 0 0 425.528 2.828 50 0 IFAARN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000229425350 568886623 /nfs/dbraw/zinc/88/66/23/568886623.db2.gz DOZZAWFIPAPCLJ-FLXNLOQFSA-N 0 0 435.409 2.779 50 0 IFAARN O=C1Nc2c(cccc2Cl)[C@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000229899957 568887048 /nfs/dbraw/zinc/88/70/48/568887048.db2.gz OJSCANUVCDCQSX-FSBGXSNOSA-N 0 0 425.847 2.910 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)s1 ZINC000090591362 568888473 /nfs/dbraw/zinc/88/84/73/568888473.db2.gz DIYVXZXMIJYXDW-UHFFFAOYSA-N 0 0 432.571 2.763 50 0 IFAARN COc1cccc(N2C[C@@H](C(=O)N3CCC(CSc4nccn4C)CC3)CC2=O)c1 ZINC000090608193 568890894 /nfs/dbraw/zinc/89/08/94/568890894.db2.gz SXCJKHBNXMQMGL-KRWDZBQOSA-N 0 0 428.558 2.813 50 0 IFAARN COc1cccc(N2C[C@H](C(=O)N3CCC(CSc4nccn4C)CC3)CC2=O)c1 ZINC000090608192 568890908 /nfs/dbraw/zinc/89/09/08/568890908.db2.gz SXCJKHBNXMQMGL-QGZVFWFLSA-N 0 0 428.558 2.813 50 0 IFAARN O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)NCCc1cccs1 ZINC000090610096 568891598 /nfs/dbraw/zinc/89/15/98/568891598.db2.gz VOGQVWHNGBXADT-UHFFFAOYSA-N 0 0 425.535 2.864 50 0 IFAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000012979989 568891965 /nfs/dbraw/zinc/89/19/65/568891965.db2.gz CGHKCJCDQHRCDL-HOYKHHGWSA-N 0 0 437.496 2.532 50 0 IFAARN Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2CCC(N)=O)c(Br)c1 ZINC000012998004 568897152 /nfs/dbraw/zinc/89/71/52/568897152.db2.gz FTYNZUAQXBOQBE-UHFFFAOYSA-N 0 0 438.351 2.833 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(F)cc3)cc2)CC1 ZINC000012998039 568897193 /nfs/dbraw/zinc/89/71/93/568897193.db2.gz UMBPCADSSAZBMU-UHFFFAOYSA-N 0 0 449.548 2.950 50 0 IFAARN CC(C)[C@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)N1CCOCC1 ZINC000013002308 568898273 /nfs/dbraw/zinc/89/82/73/568898273.db2.gz LQFCDQZOBNCBNN-AWEZNQCLSA-N 0 0 425.776 2.738 50 0 IFAARN CCc1cccc(N2C[C@@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2=O)c1 ZINC000013003642 568898704 /nfs/dbraw/zinc/89/87/04/568898704.db2.gz YAUOMWOKCZSNRK-KRWDZBQOSA-N 0 0 429.542 2.799 50 0 IFAARN C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013003862 568898772 /nfs/dbraw/zinc/89/87/72/568898772.db2.gz JLVHDVJPZMJNFU-VIFPVBQESA-N 0 0 431.850 2.824 50 0 IFAARN O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000013004196 568898858 /nfs/dbraw/zinc/89/88/58/568898858.db2.gz AAJSFKZIPJPULW-VQTJNVASSA-N 0 0 442.537 2.805 50 0 IFAARN CCn1c(=O)c2ccccc2n(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1=O ZINC000013001183 568898959 /nfs/dbraw/zinc/89/89/59/568898959.db2.gz AULMDVIOWRDWJI-UHFFFAOYSA-N 0 0 449.507 2.883 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000013010730 568900206 /nfs/dbraw/zinc/90/02/06/568900206.db2.gz VETWOHIQHOOKNP-UHFFFAOYSA-N 0 0 442.335 2.591 50 0 IFAARN CC(C)(C(=O)N1CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1)c1ccccc1 ZINC000013013150 568901419 /nfs/dbraw/zinc/90/14/19/568901419.db2.gz NGTSQVFCGZDQBI-UHFFFAOYSA-N 0 0 448.567 2.639 50 0 IFAARN CCOC(=O)Cc1csc(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000013023160 568902444 /nfs/dbraw/zinc/90/24/44/568902444.db2.gz WLXVTKFZAYECKO-UHFFFAOYSA-N 0 0 430.573 2.670 50 0 IFAARN Cc1cccc(C)c1OC[C@@H](O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013022880 568902460 /nfs/dbraw/zinc/90/24/60/568902460.db2.gz SZPXQMDQXBGCKR-FQEVSTJZSA-N 0 0 436.549 2.579 50 0 IFAARN CCCN(CC1CC1)S(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000013023713 568902486 /nfs/dbraw/zinc/90/24/86/568902486.db2.gz LFWSUELSQUKNNB-UHFFFAOYSA-N 0 0 441.619 2.591 50 0 IFAARN COc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)CC2=O)c1 ZINC000013022915 568902499 /nfs/dbraw/zinc/90/24/99/568902499.db2.gz JXESYUACPIHRAZ-QGZVFWFLSA-N 0 0 441.915 2.686 50 0 IFAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccncc4)c(=O)n32)cc1 ZINC000252607164 568902819 /nfs/dbraw/zinc/90/28/19/568902819.db2.gz GYRRGTOTJLLUFV-NRFANRHFSA-N 0 0 449.532 2.590 50 0 IFAARN CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc43)C2)[nH]1 ZINC000253410690 568903150 /nfs/dbraw/zinc/90/31/50/568903150.db2.gz NPFNUHFGFLLRRP-VIFPVBQESA-N 0 0 432.282 2.559 50 0 IFAARN CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000089274602 568909962 /nfs/dbraw/zinc/90/99/62/568909962.db2.gz AYMWCYMPGOMMCH-BLVKFPJESA-N 0 0 441.937 2.573 50 0 IFAARN O=C1[C@H]2[C@H]3[C@@H]([C@@H]2C(=O)N1C1CCCCC1)[C@H]1C=C[C@@H]3[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000245231860 568913068 /nfs/dbraw/zinc/91/30/68/568913068.db2.gz KSOCXRSCFJVURG-UROPGOJKSA-N 0 0 436.552 2.916 50 0 IFAARN O=C(N[C@H](CO)c1ccccc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000245254860 568913601 /nfs/dbraw/zinc/91/36/01/568913601.db2.gz CRVJKADYBFLZHF-HGHGUNKESA-N 0 0 434.533 2.760 50 0 IFAARN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)Nc1ccccc1F ZINC000245254841 568913670 /nfs/dbraw/zinc/91/36/70/568913670.db2.gz CKWOKWQGOHWZJA-QAQDUYKDSA-N 0 0 447.532 2.665 50 0 IFAARN COc1ccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]32)cc1 ZINC000245257393 568914120 /nfs/dbraw/zinc/91/41/20/568914120.db2.gz ZGOYGPMYIGGZBU-NWGYLYAPSA-N 0 0 446.459 2.795 50 0 IFAARN CCn1cc(NC(=O)C2CCN(C(=O)[C@@]3(C)CCCN3C(=O)OC(C)(C)C)CC2)cn1 ZINC000089306088 568920426 /nfs/dbraw/zinc/92/04/26/568920426.db2.gz ZAYJXWRMCNLPNH-JOCHJYFZSA-N 0 0 433.553 2.870 50 0 IFAARN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000016518275 568920722 /nfs/dbraw/zinc/92/07/22/568920722.db2.gz GHEAKICNCILMSU-CQSZACIVSA-N 0 0 432.933 2.644 50 0 IFAARN CN(Cc1ncc(C2CC2)o1)C(=O)CNC(=O)c1ccccc1I ZINC000089364910 568921155 /nfs/dbraw/zinc/92/11/55/568921155.db2.gz YABPZNAUTVJPAY-UHFFFAOYSA-N 0 0 439.253 2.545 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccccc1 ZINC000006489300 568923110 /nfs/dbraw/zinc/92/31/10/568923110.db2.gz OSQZKPQOLBSKTH-SRKIZSPNSA-N 0 0 448.500 2.527 50 0 IFAARN COc1cc(C=NNc2[nH]c(=O)nnc2C)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000252477296 568923172 /nfs/dbraw/zinc/92/31/72/568923172.db2.gz LOWXDELFFGIBNW-UHFFFAOYSA-N 0 0 442.863 2.599 50 0 IFAARN COCCOC(=O)c1sc2ncn([C@H](C)C(=O)Nc3ccc(F)cc3)c(=O)c2c1C ZINC000001980642 568924267 /nfs/dbraw/zinc/92/42/67/568924267.db2.gz XQPBGJVQBRMTND-GFCCVEGCSA-N 0 0 433.461 2.908 50 0 IFAARN COc1ccc(Nc2ccccc2C(=O)NCCNS(=O)(=O)c2cccnc2)cc1 ZINC000089453727 568925355 /nfs/dbraw/zinc/92/53/55/568925355.db2.gz LLBRGTIFXJLJTP-UHFFFAOYSA-N 0 0 426.498 2.542 50 0 IFAARN COc1cc2[nH]c(=O)n(CCCCC(=O)NCc3ccc(Cl)cc3)c(=O)c2cc1OC ZINC000064438434 568928313 /nfs/dbraw/zinc/92/83/13/568928313.db2.gz VHMNMNPQYWTKBA-UHFFFAOYSA-N 0 0 445.903 2.847 50 0 IFAARN CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)N(Cc1noc(C)n1)C(=O)CO2 ZINC000064450605 568928712 /nfs/dbraw/zinc/92/87/12/568928712.db2.gz STSGIRVXXREPOJ-UHFFFAOYSA-N 0 0 442.497 2.975 50 0 IFAARN NC(=O)CN1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC3CCCC3)s2)CC1 ZINC000064451954 568929185 /nfs/dbraw/zinc/92/91/85/568929185.db2.gz ITZUWUOXIHITDC-UHFFFAOYSA-N 0 0 443.552 2.559 50 0 IFAARN Cn1c2cc(NC(=O)Cc3ccc(Cl)cc3)c(N3CCCC3)cc2n(C)c(=O)c1=O ZINC000064526191 568931179 /nfs/dbraw/zinc/93/11/79/568931179.db2.gz WPVCZZRWJSNDKV-UHFFFAOYSA-N 0 0 426.904 2.672 50 0 IFAARN Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)NCc1ccccc1)C2 ZINC000064565612 568932525 /nfs/dbraw/zinc/93/25/25/568932525.db2.gz YHNKAKRTSSUZTJ-UHFFFAOYSA-N 0 0 445.523 2.654 50 0 IFAARN Cn1nc(CN(C(=O)c2ccccc2F)c2ccccc2)c2c1CCN(S(C)(=O)=O)C2 ZINC000064566820 568933132 /nfs/dbraw/zinc/93/31/32/568933132.db2.gz LJIOKDBFJQNMJV-UHFFFAOYSA-N 0 0 442.516 2.724 50 0 IFAARN CCC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2C(=O)[O-])CC1 ZINC000064580570 568934514 /nfs/dbraw/zinc/93/45/14/568934514.db2.gz ZRDCKZQGHPZMEH-UHFFFAOYSA-N 0 0 439.484 2.996 50 0 IFAARN CCCNC(=O)Cn1cc(S(=O)(=O)c2ccc(CC)cc2)c(=O)c2ccc(C)nc21 ZINC000064591246 568935490 /nfs/dbraw/zinc/93/54/90/568935490.db2.gz KKPIRKYXSCKERC-UHFFFAOYSA-N 0 0 427.526 2.626 50 0 IFAARN COc1ccc(-n2ccn3c(SCC(=O)Nc4ccccc4F)nnc3c2=O)cc1 ZINC000064593155 568935776 /nfs/dbraw/zinc/93/57/76/568935776.db2.gz OTBFHOBFEJPGGE-UHFFFAOYSA-N 0 0 425.445 2.759 50 0 IFAARN CCOc1ccc(-n2ccn3c(SCC(=O)NC4CCCCC4)nnc3c2=O)cc1 ZINC000064593927 568936221 /nfs/dbraw/zinc/93/62/21/568936221.db2.gz MEVOZGRRZJSCCV-UHFFFAOYSA-N 0 0 427.530 2.820 50 0 IFAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC3CCN([C@H]4CCOC4=O)CC3)c12 ZINC000089567456 568937571 /nfs/dbraw/zinc/93/75/71/568937571.db2.gz JEGQEVBQRYPTPV-IBGZPJMESA-N 0 0 438.459 2.847 50 0 IFAARN COCCn1c2c(cc(F)cc2F)s/c1=N/C(=O)c1ccccc1S(C)(=O)=O ZINC000016689660 568938091 /nfs/dbraw/zinc/93/80/91/568938091.db2.gz WWHJCKRDOXBLDQ-DYTRJAOYSA-N 0 0 426.466 2.772 50 0 IFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3cccc(C)c3)oc1C)c(=O)n2C ZINC000064604632 568938911 /nfs/dbraw/zinc/93/89/11/568938911.db2.gz QDCAGAKJBQOVHE-UHFFFAOYSA-N 0 0 434.452 2.510 50 0 IFAARN CC(C)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)O)C(=O)OCc1ccccc1 ZINC000004899998 568940259 /nfs/dbraw/zinc/94/02/59/568940259.db2.gz HJNYSZOPKBPHFX-QMMLZNLJSA-N 0 0 442.512 2.546 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035991687 568941803 /nfs/dbraw/zinc/94/18/03/568941803.db2.gz YDBZETRABPAECM-RXVVDRJESA-N 0 0 443.544 2.783 50 0 IFAARN O=C(OCCN1C(=O)CNC1=O)c1cc2cc(Br)cc(Br)c2o1 ZINC000064675769 568943749 /nfs/dbraw/zinc/94/37/49/568943749.db2.gz VSECLUPBAVYWCZ-UHFFFAOYSA-N 0 0 446.051 2.666 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc3ccc(Sc4ccc(C)cc4)nn3c2=O)cc1 ZINC000064710199 568944702 /nfs/dbraw/zinc/94/47/02/568944702.db2.gz SSOFLDDXAGKXOD-UHFFFAOYSA-N 0 0 435.509 2.676 50 0 IFAARN COCCNC(=O)c1cccc(Nc2c(Oc3ccc(F)cc3F)cnn(C)c2=O)c1 ZINC000036071155 568945654 /nfs/dbraw/zinc/94/56/54/568945654.db2.gz RAMARTWEJMAAGA-UHFFFAOYSA-N 0 0 430.411 2.971 50 0 IFAARN CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)C(C)C ZINC000036071489 568945893 /nfs/dbraw/zinc/94/58/93/568945893.db2.gz FBJVITFHRQWFQC-UHFFFAOYSA-N 0 0 439.560 2.695 50 0 IFAARN CCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)C(C)C ZINC000036074005 568946268 /nfs/dbraw/zinc/94/62/68/568946268.db2.gz FOZMWPMUSMVOLR-UHFFFAOYSA-N 0 0 439.560 2.695 50 0 IFAARN O=C(NCc1ccccc1)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085492 568948034 /nfs/dbraw/zinc/94/80/34/568948034.db2.gz RWKAUELJJNVXKK-UHFFFAOYSA-N 0 0 448.429 2.651 50 0 IFAARN O=C(NCc1ccco1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086179 568948430 /nfs/dbraw/zinc/94/84/30/568948430.db2.gz IGNOZHLBYWCRSF-UHFFFAOYSA-N 0 0 436.855 2.619 50 0 IFAARN O=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036086098 568948474 /nfs/dbraw/zinc/94/84/74/568948474.db2.gz DKJKOJHBZHCENP-UHFFFAOYSA-N 0 0 448.429 2.651 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036087355 568948787 /nfs/dbraw/zinc/94/87/87/568948787.db2.gz FJMVAGAUUNPRKB-ZDUSSCGKSA-N 0 0 430.867 2.763 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036087442 568948858 /nfs/dbraw/zinc/94/88/58/568948858.db2.gz YDNDYSQBHIIKHY-OAHLLOKOSA-N 0 0 426.904 2.933 50 0 IFAARN CCN(C)C(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036086619 568948948 /nfs/dbraw/zinc/94/89/48/568948948.db2.gz RFWVKKOYDOJHCH-UHFFFAOYSA-N 0 0 446.429 2.862 50 0 IFAARN Cc1cccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3F)c2=O)c1 ZINC000036086855 568949152 /nfs/dbraw/zinc/94/91/52/568949152.db2.gz SGVBNKNOWHVSMV-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086769 568949191 /nfs/dbraw/zinc/94/91/91/568949191.db2.gz BXRJGLDBOWYNPE-OAHLLOKOSA-N 0 0 426.904 2.933 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036086981 568949400 /nfs/dbraw/zinc/94/94/00/568949400.db2.gz RPWBZJXXPYAUON-OAHLLOKOSA-N 0 0 426.904 2.933 50 0 IFAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000064746886 568949618 /nfs/dbraw/zinc/94/96/18/568949618.db2.gz VLJAIWAXTURRQB-UHFFFAOYSA-N 0 0 436.493 2.977 50 0 IFAARN CC(C)c1ccc(-n2nc(C(=O)NCC3CC3)c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000036087834 568949631 /nfs/dbraw/zinc/94/96/31/568949631.db2.gz SLUZXRQVJLHWIV-UHFFFAOYSA-N 0 0 436.487 2.845 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccccc3)nn(-c3cccc(F)c3)c2=O)c1 ZINC000036088457 568949878 /nfs/dbraw/zinc/94/98/78/568949878.db2.gz XYEHEVBQCRLLQS-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCC3CC3)nn(-c3ccc(C)c(Cl)c3)c2=O)c1 ZINC000036089170 568949966 /nfs/dbraw/zinc/94/99/66/568949966.db2.gz WEEVQMJCLNYSJR-UHFFFAOYSA-N 0 0 438.915 2.853 50 0 IFAARN O=S(=O)(c1cccc(-c2nc(-c3ccccc3)no2)c1)N1CCC2(CC1)OCCO2 ZINC000064747775 568950476 /nfs/dbraw/zinc/95/04/76/568950476.db2.gz NBKITZTZCXRXLG-UHFFFAOYSA-N 0 0 427.482 2.931 50 0 IFAARN CCCNC(=O)c1nn(-c2cc(C)cc(C)c2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036094049 568950832 /nfs/dbraw/zinc/95/08/32/568950832.db2.gz RIIXZDDYVQVRFT-UHFFFAOYSA-N 0 0 426.904 2.853 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CCNc2c(-c3cccc(C)c3)nc3cnccn32)CC1 ZINC000064758826 568951608 /nfs/dbraw/zinc/95/16/08/568951608.db2.gz KXEMJXOZRJUDPJ-UHFFFAOYSA-N 0 0 436.516 2.807 50 0 IFAARN CNC(=O)c1cnc(-c2ccccc2)n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O ZINC000064759383 568951867 /nfs/dbraw/zinc/95/18/67/568951867.db2.gz IMXISHDODMLHET-UHFFFAOYSA-N 0 0 426.860 2.571 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)c(F)c1 ZINC000064775225 568954546 /nfs/dbraw/zinc/95/45/46/568954546.db2.gz CNNCAKVGDRDRER-UHFFFAOYSA-N 0 0 429.477 2.615 50 0 IFAARN C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775975 568954901 /nfs/dbraw/zinc/95/49/01/568954901.db2.gz AJWPVRTXBOIKPI-MRXNPFEDSA-N 0 0 433.487 2.937 50 0 IFAARN CC[C@H](C(=O)N1CCN(c2ccccn2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776117 568955080 /nfs/dbraw/zinc/95/50/80/568955080.db2.gz AQJDPAHFVGNUJL-LJQANCHMSA-N 0 0 430.512 2.583 50 0 IFAARN Cc1cccc(-c2c3c(c4n2CCO[C@H]4c2ccc(O)cc2O)n(C)c(=O)n(C)c3=O)c1 ZINC000064788197 568956622 /nfs/dbraw/zinc/95/66/22/568956622.db2.gz PRSUSATYKLCOPH-QFIPXVFZSA-N 0 0 433.464 2.545 50 0 IFAARN CCCNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000036148060 568962446 /nfs/dbraw/zinc/96/24/46/568962446.db2.gz HCHYTFHBHPNZJZ-HSZRJFAPSA-N 0 0 439.531 2.932 50 0 IFAARN COCCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COC(C)(C)C ZINC000036156781 568965702 /nfs/dbraw/zinc/96/57/02/568965702.db2.gz HSHGOIMHYPGDHH-OAHLLOKOSA-N 0 0 437.606 2.878 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc3ccccc32)cn1C ZINC000064818978 568965884 /nfs/dbraw/zinc/96/58/84/568965884.db2.gz PCFFGEYAUFQCJI-IBGZPJMESA-N 0 0 441.509 2.757 50 0 IFAARN COc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3)C(=O)N3CCCC3)CC2)c1 ZINC000036157904 568966201 /nfs/dbraw/zinc/96/62/01/568966201.db2.gz UVOWVAGKTRDIAP-HSZRJFAPSA-N 0 0 449.551 2.968 50 0 IFAARN COCC(=O)N1CCS[C@@]12c1cc(OC)ccc1N(Cc1cccc(OC)c1)C2=O ZINC000036166450 568968587 /nfs/dbraw/zinc/96/85/87/568968587.db2.gz NJAJOJLYZNEQDQ-JOCHJYFZSA-N 0 0 428.510 2.625 50 0 IFAARN CCOc1ccccc1CNC(=O)c1cc(=O)nc2sc(N3CCC[C@@H](C)C3)nn21 ZINC000064836862 568969432 /nfs/dbraw/zinc/96/94/32/568969432.db2.gz PSDXNWWQPFWYIL-CQSZACIVSA-N 0 0 427.530 2.716 50 0 IFAARN Cc1ccc(CN2CCN(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)C(=O)C2=O)cc1 ZINC000064835318 568969492 /nfs/dbraw/zinc/96/94/92/568969492.db2.gz NYLHPQSJATWWHR-UHFFFAOYSA-N 0 0 437.515 2.539 50 0 IFAARN Cc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)sc2c1 ZINC000036186180 568970367 /nfs/dbraw/zinc/97/03/67/568970367.db2.gz YAVQEKJBQXURFF-UHFFFAOYSA-N 0 0 430.555 2.793 50 0 IFAARN CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(C)CC1 ZINC000064846461 568971990 /nfs/dbraw/zinc/97/19/90/568971990.db2.gz ZKARJYPLROLWOW-KRWDZBQOSA-N 0 0 435.590 2.691 50 0 IFAARN CCN(Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[nH]1)C[C@H](O)COCC(C)C ZINC000036206849 568972928 /nfs/dbraw/zinc/97/29/28/568972928.db2.gz GGXOCEMJSILAIG-HNNXBMFYSA-N 0 0 439.578 2.714 50 0 IFAARN COCCCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C[C@H](O)c1ccccc1 ZINC000036206973 568972934 /nfs/dbraw/zinc/97/29/34/568972934.db2.gz GHFDKCPUBBYBPU-INIZCTEOSA-N 0 0 445.541 2.652 50 0 IFAARN CCOC(=O)c1sc2[nH]c(CN(CC(C)C)C[C@@H](O)COC)nc(=O)c2c1C(C)C ZINC000036207285 568973104 /nfs/dbraw/zinc/97/31/04/568973104.db2.gz XCBDXDOZPQFNMJ-CQSZACIVSA-N 0 0 439.578 2.750 50 0 IFAARN O=C(N[C@@H](C(=O)NC1CC1)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000036208736 568973592 /nfs/dbraw/zinc/97/35/92/568973592.db2.gz WLGILIAJINBKLR-OAQYLSRUSA-N 0 0 441.478 2.894 50 0 IFAARN CCCNC(=O)N1CCc2cc(S(=O)(=O)N(C)C[C@H]3COc4ccccc4O3)ccc21 ZINC000064861958 568973903 /nfs/dbraw/zinc/97/39/03/568973903.db2.gz AHIBWAZQMFFUSP-KRWDZBQOSA-N 0 0 445.541 2.629 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000036210114 568974470 /nfs/dbraw/zinc/97/44/70/568974470.db2.gz OCMKJYMEVWIRQA-NRFANRHFSA-N 0 0 429.561 2.701 50 0 IFAARN COCCCNC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210701 568975190 /nfs/dbraw/zinc/97/51/90/568975190.db2.gz MEKXEYDRJTZUDX-JOCHJYFZSA-N 0 0 431.577 2.531 50 0 IFAARN CCOC(=O)c1c(C)c(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)c(C)n1CC ZINC000064863399 568975371 /nfs/dbraw/zinc/97/53/71/568975371.db2.gz CCHCZNMUCDQBFZ-UHFFFAOYSA-N 0 0 449.573 2.821 50 0 IFAARN COCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036211861 568975737 /nfs/dbraw/zinc/97/57/37/568975737.db2.gz YHBYWIKEIARPIQ-NRFANRHFSA-N 0 0 431.577 2.531 50 0 IFAARN Cc1ccc(C(=O)N[C@@H](C(=O)NC2CC2)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000036213230 568976802 /nfs/dbraw/zinc/97/68/02/568976802.db2.gz DHMRSAHCEQZPQD-HXUWFJFHSA-N 0 0 425.554 2.986 50 0 IFAARN COc1ccccc1C(=O)N1CCC([C@H](NC(=O)c2ccc(C)cc2)C(=O)NC2CC2)CC1 ZINC000036213286 568976970 /nfs/dbraw/zinc/97/69/70/568976970.db2.gz NTNFONNKNYWNER-QHCPKHFHSA-N 0 0 449.551 2.933 50 0 IFAARN COc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3ccc(C)cc3)C(=O)NC3CC3)CC2)c1 ZINC000036213280 568977008 /nfs/dbraw/zinc/97/70/08/568977008.db2.gz YXENHRBCLFEWCG-HSZRJFAPSA-N 0 0 449.551 2.933 50 0 IFAARN COc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000036211245 568977091 /nfs/dbraw/zinc/97/70/91/568977091.db2.gz COZKXWIUECDCET-QHCPKHFHSA-N 0 0 449.551 2.968 50 0 IFAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036214025 568977121 /nfs/dbraw/zinc/97/71/21/568977121.db2.gz RLXRZKISCHCIGZ-FQEVSTJZSA-N 0 0 446.592 2.882 50 0 IFAARN CCC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NCCOC)c1 ZINC000036218429 568977608 /nfs/dbraw/zinc/97/76/08/568977608.db2.gz RUIQYDZMTXZBIT-RTWAWAEBSA-N 0 0 425.485 2.860 50 0 IFAARN CCOc1ccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N(CC)CC)ccc32)cc1 ZINC000064889386 568979840 /nfs/dbraw/zinc/97/98/40/568979840.db2.gz MJXUFIURZBVAOP-UHFFFAOYSA-N 0 0 445.545 2.889 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)CCC3CCCC3)CC1)O[C@@H](C)C(=O)N2 ZINC000064889690 568980405 /nfs/dbraw/zinc/98/04/05/568980405.db2.gz WMVAYYQDGACRAJ-INIZCTEOSA-N 0 0 449.573 2.518 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(C)c1 ZINC000064920824 568985447 /nfs/dbraw/zinc/98/54/47/568985447.db2.gz DXDBXYFTEWWNKR-GOSISDBHSA-N 0 0 443.525 2.735 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCCCCC1)O[C@H](C)C(=O)N2 ZINC000064920958 568985615 /nfs/dbraw/zinc/98/56/15/568985615.db2.gz HHJNTSREHYADLE-CRAIPNDOSA-N 0 0 449.573 2.707 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1F)O[C@H](C)C(=O)N2 ZINC000064920981 568985689 /nfs/dbraw/zinc/98/56/89/568985689.db2.gz JVSBOZOWJPAVMC-DYVFJYSZSA-N 0 0 447.488 2.645 50 0 IFAARN Cc1c(S(=O)(=O)N2CCCC2)cc(C(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)n1C ZINC000064922484 568985976 /nfs/dbraw/zinc/98/59/76/568985976.db2.gz SWJHCNPJTSCBCI-SFHVURJKSA-N 0 0 444.601 2.777 50 0 IFAARN Cc1c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc(C(=O)N2CCC(C)CC2)n1C ZINC000064922336 568985997 /nfs/dbraw/zinc/98/59/97/568985997.db2.gz RCUNQYTVYHDYEK-UHFFFAOYSA-N 0 0 444.601 2.717 50 0 IFAARN CC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3cc(N4CCOCC4)ncn3)c2C)cc1 ZINC000064924911 568986354 /nfs/dbraw/zinc/98/63/54/568986354.db2.gz FCNLACIQBOTMQJ-UHFFFAOYSA-N 0 0 448.527 2.890 50 0 IFAARN Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)NCCCc1ccccc1 ZINC000064924975 568986357 /nfs/dbraw/zinc/98/63/57/568986357.db2.gz PFMAIPCKOOXSDO-UHFFFAOYSA-N 0 0 448.571 2.797 50 0 IFAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)N(C)C4CCCCC4)CC3)cc2NC1=O ZINC000064921628 568986534 /nfs/dbraw/zinc/98/65/34/568986534.db2.gz YKBUPTGWQSKPDN-OAHLLOKOSA-N 0 0 449.573 2.598 50 0 IFAARN COc1ccc(CNC(=O)CCc2c(C)nn(-c3cc(N(C)C)ncn3)c2C)c(OC)c1 ZINC000064925273 568986587 /nfs/dbraw/zinc/98/65/87/568986587.db2.gz NQKLAFOJWBSRSW-UHFFFAOYSA-N 0 0 438.532 2.611 50 0 IFAARN COc1ccc(-n2nc(N3CCC[C@H](C(=O)NCc4cccc(OC)c4)C3)ccc2=O)cc1 ZINC000064928281 568987411 /nfs/dbraw/zinc/98/74/11/568987411.db2.gz SOOVFPVCUFPTBH-IBGZPJMESA-N 0 0 448.523 2.783 50 0 IFAARN COc1ccccc1CNC(=O)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928438 568987624 /nfs/dbraw/zinc/98/76/24/568987624.db2.gz YEBNWQXYRITDEE-SFHVURJKSA-N 0 0 436.487 2.913 50 0 IFAARN CCOCCCNC(=O)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)C1 ZINC000064928716 568987750 /nfs/dbraw/zinc/98/77/50/568987750.db2.gz PRLYECWWRXEVCQ-KRWDZBQOSA-N 0 0 432.952 2.954 50 0 IFAARN COc1ccc(NC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccccc3)c2=O)c(C)c1 ZINC000169681081 568991496 /nfs/dbraw/zinc/99/14/96/568991496.db2.gz CWPJQDYJDODQGY-UHFFFAOYSA-N 0 0 441.509 2.913 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Cl)cc3)ccc2=O)c1 ZINC000064943150 568992407 /nfs/dbraw/zinc/99/24/07/568992407.db2.gz SXMZYDOWFZDHGY-UHFFFAOYSA-N 0 0 445.884 2.571 50 0 IFAARN O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4)NCc1ccccc1Cl ZINC000064945709 568992875 /nfs/dbraw/zinc/99/28/75/568992875.db2.gz XTBDEBAPFKFCRI-UHFFFAOYSA-N 0 0 427.917 2.954 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)cc1Cl ZINC000064943701 568993073 /nfs/dbraw/zinc/99/30/73/568993073.db2.gz PSUIOVAQBFONSW-UHFFFAOYSA-N 0 0 435.864 2.816 50 0 IFAARN COc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3Cl)n2)c1 ZINC000064943762 568993139 /nfs/dbraw/zinc/99/31/39/568993139.db2.gz AUTJIUMPHNSPJT-UHFFFAOYSA-N 0 0 447.900 2.685 50 0 IFAARN CCN1CCN(C(=O)CCc2nnc3c4cc(-c5ccc(Cl)cc5)nn4ccn23)CC1 ZINC000064947046 568995003 /nfs/dbraw/zinc/99/50/03/568995003.db2.gz RORKNYGSFIQYRM-UHFFFAOYSA-N 0 0 437.935 2.794 50 0 IFAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](C)O ZINC000036309439 568995886 /nfs/dbraw/zinc/99/58/86/568995886.db2.gz JJZKUCMBOJFLHU-WIYYLYMNSA-N 0 0 432.586 2.891 50 0 IFAARN CCc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3cccc(C(C)=O)c3)S2(=O)=O)cc1 ZINC000064951855 568997142 /nfs/dbraw/zinc/99/71/42/568997142.db2.gz TWLYPDRCXKPNMX-UHFFFAOYSA-N 0 0 426.494 2.993 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)c1 ZINC000064957773 568999111 /nfs/dbraw/zinc/99/91/11/568999111.db2.gz KWHNRPGUVCIIJS-ZDUSSCGKSA-N 0 0 430.452 2.961 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)cc1 ZINC000064958219 568999253 /nfs/dbraw/zinc/99/92/53/568999253.db2.gz XKXWTCNJDYZZMR-KRWDZBQOSA-N 0 0 448.545 2.680 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)cc(OC)c1 ZINC000064958132 568999267 /nfs/dbraw/zinc/99/92/67/568999267.db2.gz VTEYSRBETCIYKE-OAHLLOKOSA-N 0 0 436.534 2.521 50 0 IFAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000064958365 568999628 /nfs/dbraw/zinc/99/96/28/568999628.db2.gz LWPKUFMSWGQRGK-GOSISDBHSA-N 0 0 434.562 2.580 50 0 IFAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000064958367 568999643 /nfs/dbraw/zinc/99/96/43/568999643.db2.gz LWPKUFMSWGQRGK-SFHVURJKSA-N 0 0 434.562 2.580 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)c1 ZINC000169684191 569000075 /nfs/dbraw/zinc/00/00/75/569000075.db2.gz COFJMCLKBIHWSY-BEFAXECRSA-N 0 0 443.525 2.815 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1 ZINC000064965748 569001042 /nfs/dbraw/zinc/00/10/42/569001042.db2.gz SFWFPGXCZPPKAA-UHFFFAOYSA-N 0 0 439.537 2.606 50 0 IFAARN Cc1cccc(Cc2nnc(CCNS(=O)(=O)c3ccccc3Br)[nH]2)c1 ZINC000064969828 569076258 /nfs/dbraw/zinc/07/62/58/569076258.db2.gz LVNWSAVMNAPBFV-UHFFFAOYSA-N 0 0 435.347 2.987 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)cc1OC ZINC000064970768 569076362 /nfs/dbraw/zinc/07/63/62/569076362.db2.gz ALHXWGKPZOKQLU-UHFFFAOYSA-N 0 0 447.495 2.533 50 0 IFAARN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@H](C)C(=O)NCc1ccc3c(c1)OCO3)c2=O ZINC000064971178 569076493 /nfs/dbraw/zinc/07/64/93/569076493.db2.gz BHFAENXOZOZNSS-MRXNPFEDSA-N 0 0 445.479 2.805 50 0 IFAARN COc1ccc(CCN2C(=O)CC[C@@]2(C)C(=O)NCc2ccccc2)c(OC)c1OC ZINC000006818831 569076525 /nfs/dbraw/zinc/07/65/25/569076525.db2.gz APSRTFUJTNSEHJ-DEOSSOPVSA-N 0 0 426.513 2.952 50 0 IFAARN CCCn1nnc2cc(-c3noc(CCNS(=O)(=O)c4ccc(C)cc4)n3)ccc21 ZINC000064979968 569078330 /nfs/dbraw/zinc/07/83/30/569078330.db2.gz BCFGDTQUJAQJOH-UHFFFAOYSA-N 0 0 426.502 2.721 50 0 IFAARN CCOc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC(C(N)=O)CC2)cc1 ZINC000036342567 569079437 /nfs/dbraw/zinc/07/94/37/569079437.db2.gz REGGROSAIOUFRH-HSZRJFAPSA-N 0 0 434.540 2.960 50 0 IFAARN COc1ccccc1C1=NN(C(=O)CN2CCN(C(C)=O)CC2)[C@H](c2ccc(C)cc2)C1 ZINC000036343652 569079849 /nfs/dbraw/zinc/07/98/49/569079849.db2.gz GXXLHXVQJGUIKH-QHCPKHFHSA-N 0 0 434.540 2.845 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCN(C(C)=O)CC3)[C@H](c3ccccc3C)C2)cc1 ZINC000036344909 569080398 /nfs/dbraw/zinc/08/03/98/569080398.db2.gz VYGHAOZMBKYJJW-DEOSSOPVSA-N 0 0 434.540 2.845 50 0 IFAARN COc1ccc(OC)c(CNC(=O)c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1 ZINC000064989240 569083038 /nfs/dbraw/zinc/08/30/38/569083038.db2.gz LBKPJLPDZXSSMG-UHFFFAOYSA-N 0 0 434.496 2.927 50 0 IFAARN CCOC(=O)CCNC(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2 ZINC000064990807 569083468 /nfs/dbraw/zinc/08/34/68/569083468.db2.gz PNDQYBIBDYLTDC-UHFFFAOYSA-N 0 0 425.485 2.651 50 0 IFAARN COc1ccc(CC(=O)NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1OC ZINC000064990950 569083554 /nfs/dbraw/zinc/08/35/54/569083554.db2.gz OKUWQWYLALUOQH-UHFFFAOYSA-N 0 0 430.461 2.806 50 0 IFAARN COc1cc(C(=O)NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc(OC)c1OC ZINC000064990963 569083576 /nfs/dbraw/zinc/08/35/76/569083576.db2.gz JCHLTGRMXLOQNN-UHFFFAOYSA-N 0 0 446.460 2.885 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 ZINC000064988500 569083681 /nfs/dbraw/zinc/08/36/81/569083681.db2.gz NFBWMCLKESVUAY-IBGZPJMESA-N 0 0 432.498 2.728 50 0 IFAARN CCCn1c(CCC(=O)NCC(F)(F)F)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000036350967 569083841 /nfs/dbraw/zinc/08/38/41/569083841.db2.gz MJRGOVRJPZCBAL-UHFFFAOYSA-N 0 0 446.495 2.842 50 0 IFAARN O=C(Nc1ccc(F)cc1)c1nnc(CNS(=O)(=O)c2cccc3cccnc32)s1 ZINC000064991544 569084601 /nfs/dbraw/zinc/08/46/01/569084601.db2.gz HDCHQLJBAPYXLQ-UHFFFAOYSA-N 0 0 443.485 2.956 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000064991649 569084730 /nfs/dbraw/zinc/08/47/30/569084730.db2.gz JCDQJBBUAQTWHH-UHFFFAOYSA-N 0 0 448.526 2.676 50 0 IFAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccc(OCc3ccccn3)cc1)CC(=O)N2 ZINC000036358115 569084964 /nfs/dbraw/zinc/08/49/64/569084964.db2.gz LWNDJRTWJWUBIY-SFHVURJKSA-N 0 0 428.452 2.712 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccnc1 ZINC000036369901 569088392 /nfs/dbraw/zinc/08/83/92/569088392.db2.gz XNNCOHOQOQKCPM-HXUWFJFHSA-N 0 0 437.456 2.788 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccncc1 ZINC000036369982 569088482 /nfs/dbraw/zinc/08/84/82/569088482.db2.gz IEYPXRVVJFDYKV-FQEVSTJZSA-N 0 0 437.456 2.788 50 0 IFAARN CC(C)n1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCCC4)CC3)cc2sc1=O ZINC000065022227 569089127 /nfs/dbraw/zinc/08/91/27/569089127.db2.gz DLWNYMOEFYWHTI-UHFFFAOYSA-N 0 0 437.587 2.667 50 0 IFAARN CCOc1ccc(C(=O)N2CCCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)cc1 ZINC000065024459 569089594 /nfs/dbraw/zinc/08/95/94/569089594.db2.gz OMNNYXYPJYWZTD-UHFFFAOYSA-N 0 0 442.560 2.923 50 0 IFAARN Cc1nc2onc(-c3ccc(F)cc3)c2c(OCC(=O)N[C@H](C)C(=O)N2CCCCC2)n1 ZINC000065024764 569089701 /nfs/dbraw/zinc/08/97/01/569089701.db2.gz MCRKIKDTGNDLSS-CYBMUJFWSA-N 0 0 441.463 2.628 50 0 IFAARN O=C(CSc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nn1)NC[C@@H]1CCCO1 ZINC000065025991 569090911 /nfs/dbraw/zinc/09/09/11/569090911.db2.gz YPWKZNOBIOPXEN-SFHVURJKSA-N 0 0 447.992 2.844 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1cccc(C)c1C ZINC000065029938 569091261 /nfs/dbraw/zinc/09/12/61/569091261.db2.gz CGGGRTYQZXJTOI-UHFFFAOYSA-N 0 0 444.561 2.900 50 0 IFAARN O=C(NCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(Cl)cc1 ZINC000065029848 569091293 /nfs/dbraw/zinc/09/12/93/569091293.db2.gz NGJKLFGZJSSMDB-UHFFFAOYSA-N 0 0 448.936 2.691 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCCN(c3nc4cccnc4s3)CC2)cc1 ZINC000065030676 569091309 /nfs/dbraw/zinc/09/13/09/569091309.db2.gz GZQIFVKAMFWMNS-UHFFFAOYSA-N 0 0 445.570 2.941 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCN(c3nc4cccnc4s3)CC2)cc1OC ZINC000065030665 569091338 /nfs/dbraw/zinc/09/13/38/569091338.db2.gz ODPAMPXCTAVFSG-UHFFFAOYSA-N 0 0 434.543 2.610 50 0 IFAARN O=C(NCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccc(Cl)c1 ZINC000065029844 569091342 /nfs/dbraw/zinc/09/13/42/569091342.db2.gz XYTKROOPEVFZOB-UHFFFAOYSA-N 0 0 448.936 2.691 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(n3cnc4ccccc4c3=O)CC2)cc1 ZINC000065034507 569092140 /nfs/dbraw/zinc/09/21/40/569092140.db2.gz JMXALNDSFNKWGH-UHFFFAOYSA-N 0 0 441.509 2.599 50 0 IFAARN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000036386002 569092886 /nfs/dbraw/zinc/09/28/86/569092886.db2.gz HORPRMLPRRCONZ-JKSUJKDBSA-N 0 0 437.512 2.537 50 0 IFAARN COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC(C)C)CC4)c3CO2)cc1 ZINC000169758861 569093936 /nfs/dbraw/zinc/09/39/36/569093936.db2.gz KBOHLJWRTPPELH-NRFANRHFSA-N 0 0 440.544 2.788 50 0 IFAARN COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NC(C)C)CC4)c3CO2)cc1 ZINC000169758859 569093967 /nfs/dbraw/zinc/09/39/67/569093967.db2.gz DGTUFDINQACKCG-FQEVSTJZSA-N 0 0 426.517 2.540 50 0 IFAARN O=C(CN1C2=C(C(=O)OC2)[C@@H](c2ccc(Cl)cc2)NC1=O)NCc1ccc(F)cc1 ZINC000169757877 569094137 /nfs/dbraw/zinc/09/41/37/569094137.db2.gz IJTMTPPXYPWRCY-LJQANCHMSA-N 0 0 429.835 2.673 50 0 IFAARN Cc1ccc([C@H]2NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1 ZINC000169757962 569094143 /nfs/dbraw/zinc/09/41/43/569094143.db2.gz KGJZBVCLRKPYMZ-OAQYLSRUSA-N 0 0 439.899 2.885 50 0 IFAARN COc1cccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccccc3Cl)NC2=O)c1 ZINC000169758052 569094243 /nfs/dbraw/zinc/09/42/43/569094243.db2.gz VKFUZUGEUYYCDM-FQEVSTJZSA-N 0 0 441.871 2.542 50 0 IFAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2)C2=C1C(=O)OC2 ZINC000169758123 569094293 /nfs/dbraw/zinc/09/42/93/569094293.db2.gz DUAKJDOTFHQCKE-FQEVSTJZSA-N 0 0 425.416 2.740 50 0 IFAARN Cc1ccc(-c2ncc3c(=O)n(CC(=O)Nc4cc(C)cc(C)c4)c(=O)n(C)c3n2)cc1 ZINC000065057222 569095110 /nfs/dbraw/zinc/09/51/10/569095110.db2.gz ZFQFNUFFOSNKGY-UHFFFAOYSA-N 0 0 429.480 2.721 50 0 IFAARN CCc1ccc(NC(=O)Cn2c(=O)c3cnc(-c4ccccc4)nc3n(CC)c2=O)cc1 ZINC000065057282 569095172 /nfs/dbraw/zinc/09/51/72/569095172.db2.gz OFENPBYXDRMZNQ-UHFFFAOYSA-N 0 0 429.480 2.841 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3cccc(OC)c3)C2)cc1 ZINC000065059376 569096085 /nfs/dbraw/zinc/09/60/85/569096085.db2.gz XSENRQUWWXPERX-QFIPXVFZSA-N 0 0 432.542 2.811 50 0 IFAARN COc1cc(NC(=O)Nc2nccn(-c3ccc(OC)c(OC)c3)c2=O)cc(OC)c1 ZINC000065060804 569096172 /nfs/dbraw/zinc/09/61/72/569096172.db2.gz DZPFHPUCZNUZBF-UHFFFAOYSA-N 0 0 426.429 2.911 50 0 IFAARN COc1ccccc1CNC(=O)[C@@H](C)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000065061469 569096423 /nfs/dbraw/zinc/09/64/23/569096423.db2.gz NFKYUFCGWASKOG-AWEZNQCLSA-N 0 0 435.546 2.653 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)Nc3nncs3)n2C[C@@H]2CCCO2)cc1 ZINC000036393081 569098444 /nfs/dbraw/zinc/09/84/44/569098444.db2.gz GXNJTUOHQUYGOM-AWEZNQCLSA-N 0 0 432.531 2.715 50 0 IFAARN Cc1ccc2nc(CSCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc(=O)n2c1 ZINC000036395168 569098733 /nfs/dbraw/zinc/09/87/33/569098733.db2.gz BEVJGKQDNHXFHW-HNNXBMFYSA-N 0 0 425.510 2.885 50 0 IFAARN CCOc1ccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)cc1 ZINC000065076408 569100100 /nfs/dbraw/zinc/10/01/00/569100100.db2.gz IDEHIQNRIRHQSP-MRXNPFEDSA-N 0 0 432.480 2.872 50 0 IFAARN C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)C(=O)NCc1ccc(F)cc1 ZINC000065077653 569100432 /nfs/dbraw/zinc/10/04/32/569100432.db2.gz UARJEMIXZGGOOM-CYBMUJFWSA-N 0 0 436.530 2.986 50 0 IFAARN CS(=O)(=O)N1CCC(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000036398011 569100928 /nfs/dbraw/zinc/10/09/28/569100928.db2.gz DEYBLXLBZGIRLR-UHFFFAOYSA-N 0 0 447.504 2.912 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccccc4OC)ccn3n2)cc1 ZINC000169775829 569102002 /nfs/dbraw/zinc/10/20/02/569102002.db2.gz ZHKOJOHPJDPBMW-UHFFFAOYSA-N 0 0 432.480 2.539 50 0 IFAARN COC(=O)CNC(=O)[C@H]1COc2ccc(NC(=O)c3ccc(Br)cc3)cc2C1 ZINC000065082573 569102420 /nfs/dbraw/zinc/10/24/20/569102420.db2.gz DNAUJBFVYQPEAE-CQSZACIVSA-N 0 0 447.285 2.542 50 0 IFAARN Cc1ccc(NC(=O)c2cc3n(n2)CCCN(CC(=O)N(C)c2ccccc2)C3=O)cc1 ZINC000169780196 569102973 /nfs/dbraw/zinc/10/29/73/569102973.db2.gz NBDWGBLUTHFWOJ-UHFFFAOYSA-N 0 0 431.496 2.953 50 0 IFAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4ccc(F)cc4)CC3)ccc21 ZINC000065085755 569103168 /nfs/dbraw/zinc/10/31/68/569103168.db2.gz QOYIYIIPFPXCKU-UHFFFAOYSA-N 0 0 447.488 2.700 50 0 IFAARN Cc1noc(-c2ccn3c(c2)nnc3CNC(=O)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000169779352 569103170 /nfs/dbraw/zinc/10/31/70/569103170.db2.gz NOLNHLFQAOSSIP-UHFFFAOYSA-N 0 0 432.362 2.845 50 0 IFAARN O=C(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1)N1CCN(c2ncccn2)CC1 ZINC000065085531 569103250 /nfs/dbraw/zinc/10/32/50/569103250.db2.gz FICWSNQZQKPWOS-UHFFFAOYSA-N 0 0 448.957 2.987 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCC(CC(=O)NCCC(C)C)CC3)cc2oc1=O ZINC000065085956 569103253 /nfs/dbraw/zinc/10/32/53/569103253.db2.gz FPSCUUJTGKRFNB-UHFFFAOYSA-N 0 0 437.562 2.568 50 0 IFAARN Cc1ccccc1CNS(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1 ZINC000065098880 569104337 /nfs/dbraw/zinc/10/43/37/569104337.db2.gz WIFOQWPCTRLHEB-UHFFFAOYSA-N 0 0 432.527 2.821 50 0 IFAARN COc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccccc4F)c(=O)n3c2)cc1 ZINC000065100124 569104956 /nfs/dbraw/zinc/10/49/56/569104956.db2.gz YMAJMXHBUYMPDR-UHFFFAOYSA-N 0 0 435.415 2.535 50 0 IFAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)o1 ZINC000065099001 569105100 /nfs/dbraw/zinc/10/51/00/569105100.db2.gz LQFPHPWWQVFHSH-UHFFFAOYSA-N 0 0 436.515 2.804 50 0 IFAARN CCc1ccccc1NC(=O)Cn1nc2ccc(C(=O)NCc3ccccc3)cn2c1=O ZINC000065100206 569105438 /nfs/dbraw/zinc/10/54/38/569105438.db2.gz SCXKMOZMSJHMES-UHFFFAOYSA-N 0 0 429.480 2.627 50 0 IFAARN O=C(c1noc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc21)N1CCCC1 ZINC000065115142 569106634 /nfs/dbraw/zinc/10/66/34/569106634.db2.gz NNTHNEXAWKJDMD-UHFFFAOYSA-N 0 0 440.525 2.575 50 0 IFAARN COc1ccc(S(=O)(=O)CCc2noc(C(=O)NC[C@@H](C)c3ccccc3)n2)cc1 ZINC000065117637 569108191 /nfs/dbraw/zinc/10/81/91/569108191.db2.gz YGEDTLCVYIOTRQ-OAHLLOKOSA-N 0 0 429.498 2.628 50 0 IFAARN Cc1ccc(C)c(Cn2nc3c(S(=O)(=O)N4CCc5ccccc5C4)cccn3c2=O)c1 ZINC000065129285 569108824 /nfs/dbraw/zinc/10/88/24/569108824.db2.gz MTXJQVWDWPJHEM-UHFFFAOYSA-N 0 0 448.548 2.908 50 0 IFAARN COc1ccc(OCC(=O)N2CCN(c3ncccc3-c3nnc(C(C)C)o3)CC2)cc1 ZINC000065118051 569108891 /nfs/dbraw/zinc/10/88/91/569108891.db2.gz BFXQZTJEJRVUCK-UHFFFAOYSA-N 0 0 437.500 2.991 50 0 IFAARN COc1ccc(CNC(=O)c2snc(C(=O)NCc3ccc(F)cc3)c2N)cc1OC ZINC000065118296 569109058 /nfs/dbraw/zinc/10/90/58/569109058.db2.gz MNFDZQSVVPUPLV-UHFFFAOYSA-N 0 0 444.488 2.742 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(-n2cnc(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000065131216 569109280 /nfs/dbraw/zinc/10/92/80/569109280.db2.gz XQRLQIXQUPYGFS-UHFFFAOYSA-N 0 0 430.505 2.972 50 0 IFAARN CCc1ccc2c(CN3CCN(S(=O)(=O)N4CCCCCC4)CC3)cc(=O)oc2c1 ZINC000036437886 569109375 /nfs/dbraw/zinc/10/93/75/569109375.db2.gz DCOVRNOGYBQCCA-UHFFFAOYSA-N 0 0 433.574 2.594 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(-n2cnc(C(=O)NCc3cccc(OC)c3)c2)cc1 ZINC000065131236 569109379 /nfs/dbraw/zinc/10/93/79/569109379.db2.gz DZCGLFCWUKKNJG-UHFFFAOYSA-N 0 0 442.541 2.841 50 0 IFAARN O=C(CN1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1)Nc1ccccc1Cl ZINC000036437862 569109409 /nfs/dbraw/zinc/10/94/09/569109409.db2.gz IKOYGGWUCWBHAE-UHFFFAOYSA-N 0 0 429.904 2.784 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)Nc3cccc(OC)c3)nn2)C1 ZINC000065131952 569109675 /nfs/dbraw/zinc/10/96/75/569109675.db2.gz XHYBSBNGWZFPOQ-MRXNPFEDSA-N 0 0 443.573 2.959 50 0 IFAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)C1 ZINC000065132134 569109865 /nfs/dbraw/zinc/10/98/65/569109865.db2.gz PKICTWUQWCJBRC-QGZVFWFLSA-N 0 0 445.564 2.767 50 0 IFAARN O=C(Cn1c(=O)cccc1C(=O)NCc1cc(F)cc(F)c1)NCc1ccc(F)cc1 ZINC000065150142 569110948 /nfs/dbraw/zinc/11/09/48/569110948.db2.gz GBVXCBBTKCNJQD-UHFFFAOYSA-N 0 0 429.398 2.512 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)cc1OC ZINC000065150818 569111451 /nfs/dbraw/zinc/11/14/51/569111451.db2.gz QESPADOYEPEUPS-UHFFFAOYSA-N 0 0 449.467 2.956 50 0 IFAARN CCOCCCNC(=O)CCCn1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000006944822 569111882 /nfs/dbraw/zinc/11/18/82/569111882.db2.gz AAOKWDLGMUBYKU-UHFFFAOYSA-N 0 0 425.533 2.830 50 0 IFAARN CC1CCN(S(=O)(=O)c2nn(C)cc2C(=O)NCc2ccc(F)c(Cl)c2)CC1 ZINC000065152305 569111910 /nfs/dbraw/zinc/11/19/10/569111910.db2.gz VYOBHTPKOGJKDP-UHFFFAOYSA-N 0 0 428.917 2.563 50 0 IFAARN Cn1cc(CCN2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c2cccnc21 ZINC000065164773 569112850 /nfs/dbraw/zinc/11/28/50/569112850.db2.gz BWCBZMWOPQCYEB-UHFFFAOYSA-N 0 0 432.977 2.917 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2nc(CNC(=O)C(C)C)cs2)C1 ZINC000065173373 569113216 /nfs/dbraw/zinc/11/32/16/569113216.db2.gz BKYYSRVHFUJNIB-AWEZNQCLSA-N 0 0 426.564 2.588 50 0 IFAARN O=C(COc1ccccc1)N1CCC[C@@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000065179137 569113391 /nfs/dbraw/zinc/11/33/91/569113391.db2.gz WRVYHPHFBWLMOK-HXUWFJFHSA-N 0 0 438.524 2.855 50 0 IFAARN O=C(c1ccc(-n2nnc3ccccc3c2=O)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000138790931 569113752 /nfs/dbraw/zinc/11/37/52/569113752.db2.gz CLDHZFFAGBWZBM-UHFFFAOYSA-N 0 0 425.492 2.739 50 0 IFAARN CCc1nn2c(nc(C)c2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000065183751 569113942 /nfs/dbraw/zinc/11/39/42/569113942.db2.gz JTZCPMRDYGRPQF-UHFFFAOYSA-N 0 0 425.967 2.826 50 0 IFAARN CCc1nc2sc(C)nn2c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065183864 569113969 /nfs/dbraw/zinc/11/39/69/569113969.db2.gz IPSZQDUVLAZNKV-UHFFFAOYSA-N 0 0 425.967 2.826 50 0 IFAARN COC(=O)c1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2cccn3c(C)nnc23)o1 ZINC000065185161 569114142 /nfs/dbraw/zinc/11/41/42/569114142.db2.gz CQRDAVSSCCLYSR-UHFFFAOYSA-N 0 0 444.444 2.952 50 0 IFAARN O=C(NCc1ccc(F)cc1F)[C@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195533 569115411 /nfs/dbraw/zinc/11/54/11/569115411.db2.gz GLEZUVDUSDLGGF-KRWDZBQOSA-N 0 0 439.462 2.933 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)cc1 ZINC000065195526 569115473 /nfs/dbraw/zinc/11/54/73/569115473.db2.gz OBLKTEHQRNILDO-GOSISDBHSA-N 0 0 446.507 2.936 50 0 IFAARN CCCN1c2cc(C(=O)NCc3cccc(OC)c3OC)ccc2N2C(=O)CC[C@@H]2C1=O ZINC000065202192 569116015 /nfs/dbraw/zinc/11/60/15/569116015.db2.gz CIPTWYQVFCNJLG-GOSISDBHSA-N 0 0 437.496 2.886 50 0 IFAARN CCc1cccc(NC(=O)Cn2nc(-c3nc(-c4ccc5c(c4)OCO5)no3)ccc2=O)c1 ZINC000065197489 569116016 /nfs/dbraw/zinc/11/60/16/569116016.db2.gz PAFRCYIBFTZENT-UHFFFAOYSA-N 0 0 445.435 2.890 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc(-c3nc(-c4ccc5c(c4)OCO5)no3)ccc2=O)cc1 ZINC000065197487 569116019 /nfs/dbraw/zinc/11/60/19/569116019.db2.gz JYFLFLZRJWZSCZ-UHFFFAOYSA-N 0 0 431.408 2.636 50 0 IFAARN O=C(NCCc1ccncc1)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1F)CC2 ZINC000065210630 569116302 /nfs/dbraw/zinc/11/63/02/569116302.db2.gz YOLPZBZJYNDGQC-UHFFFAOYSA-N 0 0 425.485 2.945 50 0 IFAARN COc1cccc(CN2CCc3c(cc(C(=O)N4CCN(c5ccccn5)CC4)n3C)C2)c1 ZINC000065210990 569116418 /nfs/dbraw/zinc/11/64/18/569116418.db2.gz PMRJNPCEUICHKL-UHFFFAOYSA-N 0 0 445.567 2.949 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)NCc1cc(F)cc(F)c1 ZINC000065212445 569116725 /nfs/dbraw/zinc/11/67/25/569116725.db2.gz NACIJHHFHSQXBN-UHFFFAOYSA-N 0 0 447.463 2.552 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCC3CCCCC3)c2=O)cc1 ZINC000065212625 569116843 /nfs/dbraw/zinc/11/68/43/569116843.db2.gz GKSYUJOJNJMLDS-UHFFFAOYSA-N 0 0 447.557 2.663 50 0 IFAARN C[C@H]1CCCN(c2ccc(-c3noc(CN4CCN(C(=O)c5ccco5)CC4)n3)cn2)C1 ZINC000065216114 569117014 /nfs/dbraw/zinc/11/70/14/569117014.db2.gz UKCYPFCVULUPFK-KRWDZBQOSA-N 0 0 436.516 2.919 50 0 IFAARN CC1CCN(c2ccc(-c3noc(CN4CCN(C(=O)c5ccco5)CC4)n3)cn2)CC1 ZINC000065216190 569117018 /nfs/dbraw/zinc/11/70/18/569117018.db2.gz BKJPMDZCRAGQAC-UHFFFAOYSA-N 0 0 436.516 2.919 50 0 IFAARN CN(C)c1ncncc1N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000065226251 569117914 /nfs/dbraw/zinc/11/79/14/569117914.db2.gz DVAROFFDAZNQQM-UHFFFAOYSA-N 0 0 428.968 2.761 50 0 IFAARN O=C(NCc1ccccc1C(F)(F)F)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226695 569118026 /nfs/dbraw/zinc/11/80/26/569118026.db2.gz QNOISHVWUICDNR-UHFFFAOYSA-N 0 0 449.477 2.865 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)CC2=O)cc1Cl ZINC000036569678 569118361 /nfs/dbraw/zinc/11/83/61/569118361.db2.gz UPWHPEORGVZSOG-PMPSAXMXSA-N 0 0 441.915 2.509 50 0 IFAARN COc1ccccc1CNC(=O)C1CCN(c2cc(N3CCSCC3)ncn2)CC1 ZINC000065237167 569119609 /nfs/dbraw/zinc/11/96/09/569119609.db2.gz JDQCXYFIELOXFT-UHFFFAOYSA-N 0 0 427.574 2.571 50 0 IFAARN C=C1C(N2CCC(NC(=O)c3ccncc3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239161 569120034 /nfs/dbraw/zinc/12/00/34/569120034.db2.gz MKTPCZXGCBFSHF-UHFFFAOYSA-N 0 0 428.489 2.588 50 0 IFAARN C=C1C(N2CCC(NC(=O)CCOC)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000065239245 569120181 /nfs/dbraw/zinc/12/01/81/569120181.db2.gz KWYAHLVRUPPNCR-UHFFFAOYSA-N 0 0 433.574 2.900 50 0 IFAARN C=C1C(N2CCC(NC(=O)[C@H]3CCCO3)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239216 569120283 /nfs/dbraw/zinc/12/02/83/569120283.db2.gz PAHMQDAWLCDFKJ-QGZVFWFLSA-N 0 0 437.949 2.573 50 0 IFAARN COc1ccccc1CCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000036589906 569121065 /nfs/dbraw/zinc/12/10/65/569121065.db2.gz MHYFMOLJWVSSQA-YADHBBJMSA-N 0 0 442.581 2.876 50 0 IFAARN O=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NCc1ccncc1 ZINC000036594174 569121235 /nfs/dbraw/zinc/12/12/35/569121235.db2.gz ZARHCOPYCMALAL-LJQANCHMSA-N 0 0 439.903 2.980 50 0 IFAARN CCNc1cc(N2CCC[C@H](CCC(=O)NC3CCN(C(=O)OCC)CC3)C2)ncn1 ZINC000065245082 569121613 /nfs/dbraw/zinc/12/16/13/569121613.db2.gz ONEGVCACTDIYMS-QGZVFWFLSA-N 0 0 432.569 2.642 50 0 IFAARN C[C@H](NC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1)c1ccc(F)cc1 ZINC000065254301 569122483 /nfs/dbraw/zinc/12/24/83/569122483.db2.gz WCSVOMDWUNKISG-HNNXBMFYSA-N 0 0 443.504 2.682 50 0 IFAARN Cc1noc(-c2ccc3nnc(CC(=O)NCc4cccc(Br)c4)n3c2)n1 ZINC000065254611 569122775 /nfs/dbraw/zinc/12/27/75/569122775.db2.gz BYANIGGCCIORGQ-UHFFFAOYSA-N 0 0 427.262 2.709 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3scnc3C)c(=O)n2[C@H]1c1cccs1 ZINC000036612256 569123624 /nfs/dbraw/zinc/12/36/24/569123624.db2.gz UNBDQWSVGTVKJB-SBNBMVPLSA-N 0 0 431.564 2.625 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)NC[C@@H](C)Cn1ccc(C(F)(F)F)n1 ZINC000036612471 569123680 /nfs/dbraw/zinc/12/36/80/569123680.db2.gz WHUXMWIABGTJEO-SECBINFHSA-N 0 0 446.451 2.758 50 0 IFAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000036614539 569124120 /nfs/dbraw/zinc/12/41/20/569124120.db2.gz SJKRGYBVGLSXDW-UHFFFAOYSA-N 0 0 433.961 2.973 50 0 IFAARN CCn1ncc(Br)c1CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000036614466 569124128 /nfs/dbraw/zinc/12/41/28/569124128.db2.gz AMFREDQYSCLJRT-UHFFFAOYSA-N 0 0 441.351 2.613 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2 ZINC000065259666 569124652 /nfs/dbraw/zinc/12/46/52/569124652.db2.gz SZQZXFLZGBLPPY-NRFANRHFSA-N 0 0 447.601 2.836 50 0 IFAARN O=C(CN1CCOCC1)N1CCC[C@]2(C1)Nc1ccccc1NC2=NCc1ccccc1 ZINC000065259922 569124884 /nfs/dbraw/zinc/12/48/84/569124884.db2.gz RZTDFMAHHWLLNB-RUZDIDTESA-N 0 0 433.556 2.625 50 0 IFAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)COC(=O)c1ccc(Br)s1 ZINC000013156193 569125758 /nfs/dbraw/zinc/12/57/58/569125758.db2.gz KHDFSXJMWLQZRL-LLVKDONJSA-N 0 0 426.288 2.966 50 0 IFAARN COc1cc(C(=O)OCC(=O)N(C)C[C@@H]2COc3ccccc3O2)ccc1OC(F)F ZINC000013158102 569125805 /nfs/dbraw/zinc/12/58/05/569125805.db2.gz RSZHJHFYLOSQFL-CQSZACIVSA-N 0 0 437.395 2.752 50 0 IFAARN COc1cc2c(cc1OC)[C@H](NC(=O)CCN1C(=O)C[C@](C)(c3ccccc3)C1=O)CC2 ZINC000524733828 569127870 /nfs/dbraw/zinc/12/78/70/569127870.db2.gz STLLMGUWLRXQDC-KBMIEXCESA-N 0 0 436.508 2.914 50 0 IFAARN COCc1nnc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)s1 ZINC000524733913 569128036 /nfs/dbraw/zinc/12/80/36/569128036.db2.gz CRXXIONVWASPJK-LJQANCHMSA-N 0 0 449.492 2.828 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc1OC ZINC000065273253 569129363 /nfs/dbraw/zinc/12/93/63/569129363.db2.gz TVXNHQDYDPGEAM-HNNXBMFYSA-N 0 0 444.557 2.572 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2cc(C)ccc2C)CC3)CC1 ZINC000065273418 569129457 /nfs/dbraw/zinc/12/94/57/569129457.db2.gz VBABGNRBIDUYTE-GOSISDBHSA-N 0 0 426.586 2.850 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc1F ZINC000065273390 569129492 /nfs/dbraw/zinc/12/94/92/569129492.db2.gz YKDUPWZRBBAELB-CQSZACIVSA-N 0 0 432.521 2.703 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccc(OC)cc2)CC3)CC1 ZINC000065273501 569129621 /nfs/dbraw/zinc/12/96/21/569129621.db2.gz VTUNFLRVTHCXOQ-KRWDZBQOSA-N 0 0 442.585 2.632 50 0 IFAARN Cc1ccc(CNC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)o1 ZINC000065273729 569130019 /nfs/dbraw/zinc/13/00/19/569130019.db2.gz UECCYIJWJIMCOY-KRWDZBQOSA-N 0 0 442.585 2.915 50 0 IFAARN Cc1ccc(CNC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)o1 ZINC000065273728 569130035 /nfs/dbraw/zinc/13/00/35/569130035.db2.gz UECCYIJWJIMCOY-QGZVFWFLSA-N 0 0 442.585 2.915 50 0 IFAARN CNc1nccc(N2CCC(CC(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 ZINC000065282157 569130107 /nfs/dbraw/zinc/13/01/07/569130107.db2.gz WSLHSVVFPMNOFH-UHFFFAOYSA-N 0 0 432.569 2.641 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000036664510 569130507 /nfs/dbraw/zinc/13/05/07/569130507.db2.gz DVAVRHCNAWYFNI-HBUWYVDXSA-N 0 0 430.376 2.973 50 0 IFAARN CN(C)c1cccc(C(=O)N2CCCN([C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000065293274 569130878 /nfs/dbraw/zinc/13/08/78/569130878.db2.gz SLKIBGQYAMVNSB-QHCPKHFHSA-N 0 0 438.547 2.841 50 0 IFAARN COc1ccc(CC(=O)N2CCCN([C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1 ZINC000065293284 569130913 /nfs/dbraw/zinc/13/09/13/569130913.db2.gz ZQIGXDQFTGLIMW-QHCPKHFHSA-N 0 0 439.531 2.712 50 0 IFAARN O=C(Cn1ncc2c1ncnc2N1CCCCC1)NCc1ccccc1Br ZINC000065295061 569131345 /nfs/dbraw/zinc/13/13/45/569131345.db2.gz TZWYQPMPDKYFEK-UHFFFAOYSA-N 0 0 429.322 2.896 50 0 IFAARN Cc1ccc(CNC(=O)Cn2ncc3c2ncnc3N2CCN(c3ccccc3)CC2)cc1 ZINC000065295382 569131389 /nfs/dbraw/zinc/13/13/89/569131389.db2.gz QKSOCNZEOHOANJ-UHFFFAOYSA-N 0 0 441.539 2.778 50 0 IFAARN COc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)[C@H]5CCCO5)CC4)nc32)cc1 ZINC000065296885 569131571 /nfs/dbraw/zinc/13/15/71/569131571.db2.gz YDRUHGPSFIHSNO-QGZVFWFLSA-N 0 0 427.530 2.627 50 0 IFAARN O=C(c1csc(N2CCN(c3ccccc3)CC2)n1)N1CCN(c2ccccn2)CC1 ZINC000065307395 569132413 /nfs/dbraw/zinc/13/24/13/569132413.db2.gz IUTHIDURBYGWKP-UHFFFAOYSA-N 0 0 434.569 2.827 50 0 IFAARN CCCCn1c2nn(CC(=O)NCc3ccccc3Cl)c(=O)n2c2ccsc2c1=O ZINC000065305300 569133023 /nfs/dbraw/zinc/13/30/23/569133023.db2.gz KWIZQKLVXHRZKK-UHFFFAOYSA-N 0 0 445.932 2.642 50 0 IFAARN CC(C)Cn1c2nn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)n2c2ccsc2c1=O ZINC000065305292 569133083 /nfs/dbraw/zinc/13/30/83/569133083.db2.gz IUFSFZLQGZJOPK-UHFFFAOYSA-N 0 0 437.525 2.656 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)n2c2ccsc2c1=O ZINC000065305372 569133139 /nfs/dbraw/zinc/13/31/39/569133139.db2.gz ROLFFVLFILFNIA-UHFFFAOYSA-N 0 0 437.525 2.800 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3cc(C)ccc3C)c(=O)n2c2ccsc2c1=O ZINC000065305329 569133153 /nfs/dbraw/zinc/13/31/53/569133153.db2.gz WCGSEDIXNJCBRO-UHFFFAOYSA-N 0 0 425.514 2.928 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3cccc(CC)c3)c(=O)n2c2ccsc2c1=O ZINC000065305324 569133195 /nfs/dbraw/zinc/13/31/95/569133195.db2.gz DPXDVCVLDFBHRZ-UHFFFAOYSA-N 0 0 425.514 2.874 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3cccc(C(C)=O)c3)c(=O)n2c2ccsc2c1=O ZINC000065305332 569133205 /nfs/dbraw/zinc/13/32/05/569133205.db2.gz JZXFKNKDGDTDOX-UHFFFAOYSA-N 0 0 439.497 2.514 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3Cc3ccco3)c2=O)c(C)c1 ZINC000065305554 569133320 /nfs/dbraw/zinc/13/33/20/569133320.db2.gz OUFFRZXNGMFKRW-UHFFFAOYSA-N 0 0 449.492 2.769 50 0 IFAARN O=C(NCc1ccccn1)C1=NN(c2ccc(Cl)cc2)c2ncccc2S1(=O)=O ZINC000065307291 569133565 /nfs/dbraw/zinc/13/35/65/569133565.db2.gz PDCQYIMWDATIBX-UHFFFAOYSA-N 0 0 427.873 2.685 50 0 IFAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3ccc(OC)cc3)nn2)CC1 ZINC000065315276 569133895 /nfs/dbraw/zinc/13/38/95/569133895.db2.gz MODZYPGYYNQLSY-UHFFFAOYSA-N 0 0 443.573 2.959 50 0 IFAARN Cc1ccc(-c2noc(C(=O)Nc3cccnc3)n2)cc1S(=O)(=O)N1CCCCC1 ZINC000065318788 569134370 /nfs/dbraw/zinc/13/43/70/569134370.db2.gz AJRUWLWKAAFYHW-UHFFFAOYSA-N 0 0 427.486 2.867 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nc(C)n2)n1 ZINC000036705450 569134396 /nfs/dbraw/zinc/13/43/96/569134396.db2.gz JROQBAJOCBJLMD-UHFFFAOYSA-N 0 0 440.935 2.969 50 0 IFAARN O=C(NCc1cccs1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000065319163 569134620 /nfs/dbraw/zinc/13/46/20/569134620.db2.gz AGNDDOQLOUKMEB-UHFFFAOYSA-N 0 0 432.527 2.903 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)c1 ZINC000065312933 569135062 /nfs/dbraw/zinc/13/50/62/569135062.db2.gz PJOFULNPSHUQIG-AWEZNQCLSA-N 0 0 429.908 2.933 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)c(C)c1 ZINC000036700315 569135206 /nfs/dbraw/zinc/13/52/06/569135206.db2.gz FCZBMJHBWFFDPN-OAQYLSRUSA-N 0 0 431.558 2.695 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314091 569135466 /nfs/dbraw/zinc/13/54/66/569135466.db2.gz CJGFPYGKCDKBCL-FQEVSTJZSA-N 0 0 446.507 2.553 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccnn3C(C)C)o2)cc1 ZINC000036701451 569135579 /nfs/dbraw/zinc/13/55/79/569135579.db2.gz DIQMDKLMLWOKAM-UHFFFAOYSA-N 0 0 432.506 2.797 50 0 IFAARN Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)N3CCN(c4ccccn4)CC3)sc12 ZINC000065314371 569135609 /nfs/dbraw/zinc/13/56/09/569135609.db2.gz JHBIGKCLGUTMIW-UHFFFAOYSA-N 0 0 447.568 2.970 50 0 IFAARN CC(=O)c1ccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C)cc1 ZINC000065319781 569135911 /nfs/dbraw/zinc/13/59/11/569135911.db2.gz BGWUXBAPVBKAEW-UHFFFAOYSA-N 0 0 443.554 2.924 50 0 IFAARN O=C(NCCn1nc(-c2cnccn2)cc1C1CC1)c1ccccc1S(=O)(=O)C(F)F ZINC000238818225 569136527 /nfs/dbraw/zinc/13/65/27/569136527.db2.gz BZIKMYTVZYGRDY-UHFFFAOYSA-N 0 0 447.467 2.644 50 0 IFAARN COc1ccc(C)c2sc(N3CCN(C(=O)Cn4c5ccccc5oc4=O)CC3)nc21 ZINC000036709520 569136531 /nfs/dbraw/zinc/13/65/31/569136531.db2.gz HDCFTFIFUBZCER-UHFFFAOYSA-N 0 0 438.509 2.870 50 0 IFAARN COc1cc(-c2cc(NC(=O)c3c(C)oc4ncn(C)c(=O)c43)on2)cc(OC)c1OC ZINC000065329538 569136996 /nfs/dbraw/zinc/13/69/96/569136996.db2.gz SBNWURLFBHZSMH-UHFFFAOYSA-N 0 0 440.412 2.768 50 0 IFAARN O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@H](Oc2ccc(Br)cn2)C1 ZINC000238874619 569137600 /nfs/dbraw/zinc/13/76/00/569137600.db2.gz NSVZDVONGLADOT-SFHVURJKSA-N 0 0 432.318 2.974 50 0 IFAARN Cc1c(C(=O)NC2CCN(c3cc4c(nn3)CCCC4)CC2)nnn1-c1ccc(F)cc1 ZINC000238914834 569137866 /nfs/dbraw/zinc/13/78/66/569137866.db2.gz SLNWLYRUSVCBKX-UHFFFAOYSA-N 0 0 435.507 2.782 50 0 IFAARN COC(=O)c1cccc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 ZINC000036851971 569138528 /nfs/dbraw/zinc/13/85/28/569138528.db2.gz XXASFUZGOYFALU-UHFFFAOYSA-N 0 0 443.459 2.907 50 0 IFAARN COc1cc2c(cc1OC)n(CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)n1c2nc(=O)cc1C ZINC000239403311 569139094 /nfs/dbraw/zinc/13/90/94/569139094.db2.gz RSWNBAOCGLPMLX-FRFSOERESA-N 0 0 426.517 2.916 50 0 IFAARN Cc1cc(C)n(CCc2nc3c4ccccc4n(CC(=O)c4ccccc4)c(=O)n3n2)n1 ZINC000065534936 569139480 /nfs/dbraw/zinc/13/94/80/569139480.db2.gz CMWBFFPFKAVYRI-UHFFFAOYSA-N 0 0 426.480 2.983 50 0 IFAARN Cc1nn(C)c(Cl)c1COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000065553803 569139734 /nfs/dbraw/zinc/13/97/34/569139734.db2.gz AUXCFSTYURAUSZ-CYBMUJFWSA-N 0 0 429.901 2.665 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCc2nc(-c3ccncc3)no2)cc1 ZINC000065577568 569139813 /nfs/dbraw/zinc/13/98/13/569139813.db2.gz YANSQVFZLJZCCJ-KRWDZBQOSA-N 0 0 439.497 2.613 50 0 IFAARN C[C@@H](C(=O)N1CCc2ccccc21)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000170593426 569141224 /nfs/dbraw/zinc/14/12/24/569141224.db2.gz UIQYFFPKDCLTGM-SQJMNOBHSA-N 0 0 446.595 2.773 50 0 IFAARN O=C1N[C@H](c2ccc3c(c2)OCO3)C(=C(O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000170593798 569141235 /nfs/dbraw/zinc/14/12/35/569141235.db2.gz DDDPLLOHRYKKSO-DAYGRLMNSA-N 0 0 426.322 2.658 50 0 IFAARN C[C@H](c1nnnn1-c1ccccc1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000170593423 569141287 /nfs/dbraw/zinc/14/12/87/569141287.db2.gz XFNQGVXODBOCNI-NFBKMPQASA-N 0 0 445.571 2.532 50 0 IFAARN Cc1cc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)n2nc(C(F)(F)F)nc2n1 ZINC000170596617 569141748 /nfs/dbraw/zinc/14/17/48/569141748.db2.gz RHPVWXHIIHEOCM-AWEZNQCLSA-N 0 0 432.406 2.719 50 0 IFAARN COC(=O)C1(NC(=O)Cn2ncc3c2[C@@H](NC(=O)OC(C)(C)C)CCC3)CCCCC1 ZINC000170595699 569141793 /nfs/dbraw/zinc/14/17/93/569141793.db2.gz VCMBPRAIRDZEAA-INIZCTEOSA-N 0 0 434.537 2.777 50 0 IFAARN Cc1cc(Cl)c2ccccc2c1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000170596195 569141890 /nfs/dbraw/zinc/14/18/90/569141890.db2.gz QXJKRJZLXZRJHL-ZDUSSCGKSA-N 0 0 433.917 2.906 50 0 IFAARN Cc1cc(C)n(-c2ccc(CNC(=O)CC[C@H](O)c3ccc4c(c3)CCC(=O)N4)cn2)n1 ZINC000170597804 569142280 /nfs/dbraw/zinc/14/22/80/569142280.db2.gz UQBOSJISFKTIEC-NRFANRHFSA-N 0 0 433.512 2.899 50 0 IFAARN CO[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC[C@@H]1C ZINC000170603470 569143503 /nfs/dbraw/zinc/14/35/03/569143503.db2.gz UXJOUDXQJWVKLV-YOEHRIQHSA-N 0 0 448.507 2.990 50 0 IFAARN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000170603263 569143510 /nfs/dbraw/zinc/14/35/10/569143510.db2.gz DWKSDJRENMWCDE-WMQCIHAUSA-N 0 0 427.545 2.729 50 0 IFAARN CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2COC2)s1 ZINC000170603593 569143531 /nfs/dbraw/zinc/14/35/31/569143531.db2.gz KXJURQHYRFBPET-UHFFFAOYSA-N 0 0 448.488 2.993 50 0 IFAARN CO[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC[C@H]1C ZINC000170603469 569143608 /nfs/dbraw/zinc/14/36/08/569143608.db2.gz UXJOUDXQJWVKLV-PBHICJAKSA-N 0 0 448.507 2.990 50 0 IFAARN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000170603265 569143629 /nfs/dbraw/zinc/14/36/29/569143629.db2.gz DWKSDJRENMWCDE-YYWHXJBOSA-N 0 0 427.545 2.729 50 0 IFAARN COC(=O)c1cccc(OC)c1N(C)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000170603861 569143694 /nfs/dbraw/zinc/14/36/94/569143694.db2.gz ZDMHHSMVKAGTJH-UHFFFAOYSA-N 0 0 446.525 2.933 50 0 IFAARN CCOc1cc(CNc2nnc(-c3cnn(C)c3)o2)ccc1OCC(=O)N1CCCCC1 ZINC000170607129 569144304 /nfs/dbraw/zinc/14/43/04/569144304.db2.gz HPNOMSDMTBTUHR-UHFFFAOYSA-N 0 0 440.504 2.872 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Br)c(O)c2)cc1 ZINC000170607779 569144387 /nfs/dbraw/zinc/14/43/87/569144387.db2.gz RNCDENUONBVQCB-UHFFFAOYSA-N 0 0 441.303 2.664 50 0 IFAARN CO[C@@H](C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1ccccc1 ZINC000170610478 569144882 /nfs/dbraw/zinc/14/48/82/569144882.db2.gz SZYLQAZHZACGDS-LJQANCHMSA-N 0 0 427.505 2.860 50 0 IFAARN O=c1nc2n(nc1-c1ccccc1)[C@]1(CCCS(=O)(=O)C1)Nc1ccc(Cl)cc1-2 ZINC000170620091 569147775 /nfs/dbraw/zinc/14/77/75/569147775.db2.gz FVJFHWGJBCPOLL-FQEVSTJZSA-N 0 0 428.901 2.913 50 0 IFAARN CN(C(=O)COc1ccc2occ(C(=O)c3cccs3)c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000170625291 569148403 /nfs/dbraw/zinc/14/84/03/569148403.db2.gz QCGGWPIBIVTLDC-CYBMUJFWSA-N 0 0 433.507 2.750 50 0 IFAARN CN(C(=O)COc1ccc2occ(C(=O)c3cccs3)c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000170625292 569148433 /nfs/dbraw/zinc/14/84/33/569148433.db2.gz QCGGWPIBIVTLDC-ZDUSSCGKSA-N 0 0 433.507 2.750 50 0 IFAARN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000170629081 569148873 /nfs/dbraw/zinc/14/88/73/569148873.db2.gz OXPLPESWJYPFFV-SWLSCSKDSA-N 0 0 435.224 2.996 50 0 IFAARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(O[C@@H]4CCCC[C@@H]4O)cc3)ccc21 ZINC000170631707 569148889 /nfs/dbraw/zinc/14/88/89/569148889.db2.gz VROWYJDNUSLDEY-LEWJYISDSA-N 0 0 430.526 2.943 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccc(OC)cc2OC)C1=O ZINC000009882713 569149796 /nfs/dbraw/zinc/14/97/96/569149796.db2.gz LRBGPOJYSCKGAM-HSZRJFAPSA-N 0 0 425.485 2.520 50 0 IFAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000009882889 569149913 /nfs/dbraw/zinc/14/99/13/569149913.db2.gz CWPJGBKFWQXHGH-CYBMUJFWSA-N 0 0 427.423 2.773 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000009883275 569149977 /nfs/dbraw/zinc/14/99/77/569149977.db2.gz GNAVAQWUUAZDEZ-UHFFFAOYSA-N 0 0 444.481 2.770 50 0 IFAARN O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009883262 569150012 /nfs/dbraw/zinc/15/00/12/569150012.db2.gz VJSUSJHCYWNXPI-UHFFFAOYSA-N 0 0 441.509 2.677 50 0 IFAARN CCCn1c2ccccc2nc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009884101 569150238 /nfs/dbraw/zinc/15/02/38/569150238.db2.gz HQUFDXUWYFZATR-UHFFFAOYSA-N 0 0 428.514 2.720 50 0 IFAARN COc1cc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc(OC)c1OC ZINC000009909873 569150438 /nfs/dbraw/zinc/15/04/38/569150438.db2.gz MJSBOZYMHBSMJK-UHFFFAOYSA-N 0 0 442.921 2.797 50 0 IFAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c12 ZINC000071285197 569150794 /nfs/dbraw/zinc/15/07/94/569150794.db2.gz NRBITPYITALCFP-UHFFFAOYSA-N 0 0 435.509 2.521 50 0 IFAARN COc1cc(CCNC(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1OC(F)F ZINC000010029697 569151944 /nfs/dbraw/zinc/15/19/44/569151944.db2.gz GWIBCPJTJZYIRT-UHFFFAOYSA-N 0 0 438.427 2.960 50 0 IFAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000010218378 569153516 /nfs/dbraw/zinc/15/35/16/569153516.db2.gz ZQMMLTLPCGKKER-UHFFFAOYSA-N 0 0 429.454 2.700 50 0 IFAARN COc1ccc(S(=O)(=O)CC(=O)N2CCN(c3nc4c(cccc4F)s3)CC2)cc1 ZINC000010219423 569153760 /nfs/dbraw/zinc/15/37/60/569153760.db2.gz JWJCORJZHVPTEZ-UHFFFAOYSA-N 0 0 449.529 2.567 50 0 IFAARN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)CC(C)(C)C1 ZINC000010219677 569153824 /nfs/dbraw/zinc/15/38/24/569153824.db2.gz WWDUYCDOJXDBMC-CABCVRRESA-N 0 0 444.557 2.570 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(C[C@@H]3CCCO3)c3c2CCC3)c1 ZINC000010255274 569153964 /nfs/dbraw/zinc/15/39/64/569153964.db2.gz BTDJEUPRYZNROX-KRWDZBQOSA-N 0 0 442.541 2.600 50 0 IFAARN O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCCC2)NCc1ccc(F)cc1 ZINC000010255482 569154038 /nfs/dbraw/zinc/15/40/38/569154038.db2.gz ZCMQQJSARVRJPY-QGZVFWFLSA-N 0 0 431.533 2.849 50 0 IFAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(=S)Nc2ccc3c(c2)OCO3)CC1 ZINC000013330402 569155170 /nfs/dbraw/zinc/15/51/70/569155170.db2.gz JSHJXVKVYVXNPH-UHFFFAOYSA-N 0 0 439.946 2.772 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1C ZINC000013539196 569155657 /nfs/dbraw/zinc/15/56/57/569155657.db2.gz LJZAXOLZVHSPOY-UHFFFAOYSA-N 0 0 441.488 2.905 50 0 IFAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)NC4CCCCC4)nn32)cc1OC ZINC000013707121 569156816 /nfs/dbraw/zinc/15/68/16/569156816.db2.gz OECUFHTUZMAHIQ-UHFFFAOYSA-N 0 0 440.504 2.819 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000013798839 569157115 /nfs/dbraw/zinc/15/71/15/569157115.db2.gz SUIMLJWQUUJXNR-HAZIXKIPSA-N 0 0 443.550 2.519 50 0 IFAARN CC(=O)N[C@H]1[C@@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc2ccccc2c1 ZINC000250763594 569157397 /nfs/dbraw/zinc/15/73/97/569157397.db2.gz XCMZMJFBJIDKSB-PROFCWERSA-N 0 0 435.476 2.923 50 0 IFAARN O=C(Cn1c(=S)[nH]nc1-c1cccs1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000014170561 569157922 /nfs/dbraw/zinc/15/79/22/569157922.db2.gz UXDUVNYLMLPJKH-INIZCTEOSA-N 0 0 447.561 2.998 50 0 IFAARN Cc1ccc(-c2noc(CCC(=O)NCc3ccccc3S(=O)(=O)N(C)C)n2)cc1 ZINC000014363693 569158823 /nfs/dbraw/zinc/15/88/23/569158823.db2.gz ILNVOPWFUVJWFU-UHFFFAOYSA-N 0 0 428.514 2.544 50 0 IFAARN Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCCCn2cnc3ccccc32)c1 ZINC000014526037 569159165 /nfs/dbraw/zinc/15/91/65/569159165.db2.gz CYBCXQQVGMMTGO-UHFFFAOYSA-N 0 0 449.540 2.716 50 0 IFAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cccnc1N1CCOCC1 ZINC000014529021 569159383 /nfs/dbraw/zinc/15/93/83/569159383.db2.gz HRIHVCMOZRGUMD-UHFFFAOYSA-N 0 0 429.830 2.827 50 0 IFAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)c1c[nH]c2ccccc12 ZINC000014634087 569159886 /nfs/dbraw/zinc/15/98/86/569159886.db2.gz WXXJWTPZLVCTHR-HNNXBMFYSA-N 0 0 444.582 2.863 50 0 IFAARN CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000016713254 569160069 /nfs/dbraw/zinc/16/00/69/569160069.db2.gz ANMPVQLMFLYNJC-BOPFTXTBSA-N 0 0 445.522 2.571 50 0 IFAARN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000089669146 569161172 /nfs/dbraw/zinc/16/11/72/569161172.db2.gz HYLUSFAUFBQDJC-SQJMNOBHSA-N 0 0 435.524 2.778 50 0 IFAARN CS(=O)(=O)c1cccc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000016783294 569162063 /nfs/dbraw/zinc/16/20/63/569162063.db2.gz LPRDSINZBBHBAO-UHFFFAOYSA-N 0 0 427.265 2.632 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 ZINC000016837662 569162768 /nfs/dbraw/zinc/16/27/68/569162768.db2.gz QLMFAPBZXAZCBG-CQSZACIVSA-N 0 0 434.587 2.946 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 ZINC000016837664 569162797 /nfs/dbraw/zinc/16/27/97/569162797.db2.gz QLMFAPBZXAZCBG-AWEZNQCLSA-N 0 0 434.587 2.946 50 0 IFAARN COC(=O)c1cc(-c2cccc(NC(C)=O)c2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000016850584 569164791 /nfs/dbraw/zinc/16/47/91/569164791.db2.gz DYPVXRZSVUFKAE-MRXNPFEDSA-N 0 0 442.497 2.511 50 0 IFAARN Cc1ccccc1C(=O)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O ZINC000016850537 569164796 /nfs/dbraw/zinc/16/47/96/569164796.db2.gz WYCZNSOEQNROLB-UHFFFAOYSA-N 0 0 431.492 2.622 50 0 IFAARN CC(C)C[C@@H](NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)c1nc(-c2nc[nH]n2)no1 ZINC000089821075 569165190 /nfs/dbraw/zinc/16/51/90/569165190.db2.gz RNAWCOWLQSTIEV-LLVKDONJSA-N 0 0 446.320 2.809 50 0 IFAARN C[C@H](O)C[C@@H]1CCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000089895225 569166700 /nfs/dbraw/zinc/16/67/00/569166700.db2.gz VJQLMTWIDHYBCW-RDJZCZTQSA-N 0 0 438.571 2.714 50 0 IFAARN COc1ccccc1[C@@H](C)NC(=O)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000089909778 569167205 /nfs/dbraw/zinc/16/72/05/569167205.db2.gz KMZVURWAQQAEKT-HXUWFJFHSA-N 0 0 433.556 2.876 50 0 IFAARN COc1ccc(NC(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000016954141 569167326 /nfs/dbraw/zinc/16/73/26/569167326.db2.gz OZULIABZQJANPT-UHFFFAOYSA-N 0 0 426.448 2.953 50 0 IFAARN COc1ccc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc32)cc1 ZINC000016954045 569167335 /nfs/dbraw/zinc/16/73/35/569167335.db2.gz JHDVNXXYJFQFBF-UHFFFAOYSA-N 0 0 434.496 2.963 50 0 IFAARN COc1ccc(-c2nnc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)o2)cc1 ZINC000016954912 569167626 /nfs/dbraw/zinc/16/76/26/569167626.db2.gz HPOCHIBPZYYAMP-HNNXBMFYSA-N 0 0 448.526 2.989 50 0 IFAARN COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000089919283 569167666 /nfs/dbraw/zinc/16/76/66/569167666.db2.gz WNSCZWSGMRWXFJ-JXFKEZNVSA-N 0 0 442.965 2.976 50 0 IFAARN C[C@H]1CN(c2ccc(NC(=O)NCC3(O)CCC4(CC3)OCCO4)cc2F)C[C@H](C)O1 ZINC000089936826 569168247 /nfs/dbraw/zinc/16/82/47/569168247.db2.gz RWYSAJYCZPSACQ-HOTGVXAUSA-N 0 0 437.512 2.609 50 0 IFAARN COc1ccccc1NC(=O)COc1cccc2ccc(N3CCC(C(N)=O)CC3)nc21 ZINC000016973560 569168465 /nfs/dbraw/zinc/16/84/65/569168465.db2.gz SDJKAONVEQKUBD-UHFFFAOYSA-N 0 0 434.496 2.963 50 0 IFAARN CCCN(CCNC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O)C(=O)OC(C)(C)C ZINC000089958906 569168750 /nfs/dbraw/zinc/16/87/50/569168750.db2.gz GXVJKRKSUVBVBR-UHFFFAOYSA-N 0 0 433.553 2.574 50 0 IFAARN Cc1nn(C(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000016975963 569168765 /nfs/dbraw/zinc/16/87/65/569168765.db2.gz IVMZVEDPLYZPSA-UHFFFAOYSA-N 0 0 435.546 2.538 50 0 IFAARN COc1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)cc1OC ZINC000016980827 569169293 /nfs/dbraw/zinc/16/92/93/569169293.db2.gz OCVMZULPLJBIMO-UHFFFAOYSA-N 0 0 425.489 2.778 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1 ZINC000089969037 569169364 /nfs/dbraw/zinc/16/93/64/569169364.db2.gz NRNXRCOMKGGRJJ-UWJYYQICSA-N 0 0 447.601 2.641 50 0 IFAARN CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(=O)n2CCOc2ccccc2Cl)C1 ZINC000089977382 569169392 /nfs/dbraw/zinc/16/93/92/569169392.db2.gz QWIKXACROODNSC-MRXNPFEDSA-N 0 0 431.920 2.569 50 0 IFAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C ZINC000089969244 569169461 /nfs/dbraw/zinc/16/94/61/569169461.db2.gz HMAZNZZEJGFVJV-INIZCTEOSA-N 0 0 434.562 2.918 50 0 IFAARN Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCC(=O)Nc2ccccc2F)cc1 ZINC000017041485 569171493 /nfs/dbraw/zinc/17/14/93/569171493.db2.gz HODPAWDRWIWESQ-UHFFFAOYSA-N 0 0 442.516 2.870 50 0 IFAARN Cc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c3=O)cc1 ZINC000017052348 569172082 /nfs/dbraw/zinc/17/20/82/569172082.db2.gz LHWSSKIVEVBZLB-UHFFFAOYSA-N 0 0 444.373 2.823 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000017169704 569175301 /nfs/dbraw/zinc/17/53/01/569175301.db2.gz NGTXJJNLVFEQFY-UHFFFAOYSA-N 0 0 442.965 2.930 50 0 IFAARN CCc1ccc2c(COC(=O)c3ccc(CCNS(C)(=O)=O)cc3)cc(=O)oc2c1 ZINC000017261601 569176814 /nfs/dbraw/zinc/17/68/14/569176814.db2.gz CQTMLQKEGKIGPM-UHFFFAOYSA-N 0 0 429.494 2.804 50 0 IFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)cc(OC)c1)C(=O)OC ZINC000252463669 569184774 /nfs/dbraw/zinc/18/47/74/569184774.db2.gz QATGDIKBGJSNQD-CYFNAFFESA-N 0 0 430.505 2.672 50 0 IFAARN O=C(CSc1nsc(SCC(=O)Nc2nccs2)n1)Nc1nccs1 ZINC000002383725 569185727 /nfs/dbraw/zinc/18/57/27/569185727.db2.gz QORZDQJGESFONX-UHFFFAOYSA-N 0 0 430.587 2.913 50 0 IFAARN CCN(CC)C(=O)COc1ccc(N2C(=O)[C@H](CCSC)NC2=S)cc1Cl ZINC000027223484 569186572 /nfs/dbraw/zinc/18/65/72/569186572.db2.gz DOJBDFIDTOPGDC-AWEZNQCLSA-N 0 0 429.995 2.930 50 0 IFAARN CCCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000002144564 569186783 /nfs/dbraw/zinc/18/67/83/569186783.db2.gz LKCQFICBBYRVPZ-UHFFFAOYSA-N 0 0 429.546 2.581 50 0 IFAARN COc1ccc(Br)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1 ZINC000252492128 569187658 /nfs/dbraw/zinc/18/76/58/569187658.db2.gz MDMIEJZGPAWOMQ-UHFFFAOYSA-N 0 0 447.333 2.589 50 0 IFAARN CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000252505802 569188196 /nfs/dbraw/zinc/18/81/96/569188196.db2.gz NFLMBAJPCIVHSK-BVSLBCMMSA-N 0 0 427.589 2.900 50 0 IFAARN COCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cccc3ccccc32)c(=O)n1C ZINC000010047829 569188237 /nfs/dbraw/zinc/18/82/37/569188237.db2.gz IMUXDJKJGKGRTF-INIZCTEOSA-N 0 0 446.511 2.502 50 0 IFAARN CN(CC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F)S(C)(=O)=O ZINC000170651312 569189620 /nfs/dbraw/zinc/18/96/20/569189620.db2.gz JRZHZQNDGNOTKP-QGZVFWFLSA-N 0 0 429.311 2.685 50 0 IFAARN CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000252536245 569189884 /nfs/dbraw/zinc/18/98/84/569189884.db2.gz HZCZWECNVWZZIB-IMFGXOCKSA-N 0 0 448.523 2.637 50 0 IFAARN O=C(c1cccnc1O[C@H]1CCSC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000252537713 569190048 /nfs/dbraw/zinc/19/00/48/569190048.db2.gz MBZSIVMTRHOQGK-KRWDZBQOSA-N 0 0 427.526 2.653 50 0 IFAARN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000252539453 569190199 /nfs/dbraw/zinc/19/01/99/569190199.db2.gz NZXOREWKYIFEQI-KJBBBAAKSA-N 0 0 440.632 2.879 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2[S@@](=O)CC)cc1 ZINC000170655814 569192499 /nfs/dbraw/zinc/19/24/99/569192499.db2.gz YZMHUSFEMXWLAV-AXXYEVQWSA-N 0 0 440.631 2.926 50 0 IFAARN Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3cccnc3)c2=O)cc1Cl ZINC000037399104 569194307 /nfs/dbraw/zinc/19/43/07/569194307.db2.gz WDCTYXMQMPBOES-UHFFFAOYSA-N 0 0 434.883 2.826 50 0 IFAARN O=C(CN1C(=O)COc2ccc(C(=O)COc3ccccc3F)cc21)NCc1ccco1 ZINC000037513040 569198188 /nfs/dbraw/zinc/19/81/88/569198188.db2.gz CFYKCBRRYBBRQO-UHFFFAOYSA-N 0 0 438.411 2.722 50 0 IFAARN CCOC(=O)[C@@H](C)n1cnc2c1c(=O)n(CCC(C)C)c(=O)n2-c1ccc(F)cc1F ZINC000037559351 569200971 /nfs/dbraw/zinc/20/09/71/569200971.db2.gz HIXNXPNKYGCUPX-CYBMUJFWSA-N 0 0 434.443 2.797 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@H]1c1ccccc1Cl ZINC000002218005 569204031 /nfs/dbraw/zinc/20/40/31/569204031.db2.gz KADHZCPRMDDKGI-CXAGYDPISA-N 0 0 430.888 2.857 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3F)c(=O)n2[C@H]1c1cccs1 ZINC000252666147 569209576 /nfs/dbraw/zinc/20/95/76/569209576.db2.gz APNHBUKSBRIQBQ-SFHVURJKSA-N 0 0 428.510 2.999 50 0 IFAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000252676111 569210347 /nfs/dbraw/zinc/21/03/47/569210347.db2.gz WAAMUJQNJOUNNF-GOSISDBHSA-N 0 0 428.897 2.963 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3O)c(=O)n2[C@@H]1c1cccs1 ZINC000252677551 569210513 /nfs/dbraw/zinc/21/05/13/569210513.db2.gz ZCDRLYKQKVPDRA-GOSISDBHSA-N 0 0 426.519 2.565 50 0 IFAARN O=c1c(=Cc2ccccc2Br)sc2nc([C@H]3COc4ccccc4O3)nn12 ZINC000252679696 569210697 /nfs/dbraw/zinc/21/06/97/569210697.db2.gz QBAIKAJRRZLNOM-OAHLLOKOSA-N 0 0 442.294 2.974 50 0 IFAARN COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@H]4[C@H](C)C(=O)C[C@@H]2c2ccco2)c1 ZINC000252694978 569211060 /nfs/dbraw/zinc/21/10/60/569211060.db2.gz SOLPERFSTZHDQZ-KOSBZDRTSA-N 0 0 448.475 2.728 50 0 IFAARN O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000004134270 569212183 /nfs/dbraw/zinc/21/21/83/569212183.db2.gz FLLSHKJEILEWQZ-AEFFLSMTSA-N 0 0 440.525 2.817 50 0 IFAARN COc1cc([C@@H]2c3cc4c(cc3O[C@](C)(O)[C@@H]2C(C)=O)OCO4)cc(OC)c1OC(C)=O ZINC000017729497 569256873 /nfs/dbraw/zinc/25/68/73/569256873.db2.gz JAVOWJHRXAWIGR-XPNTWCBSSA-N 0 0 444.436 2.796 50 0 IFAARN COC(=O)C1=CN2c3ccccc3N(C)C(C(=O)OC)=C[C@]2(C(C)C)C(C(=O)OC)=C1 ZINC000019909749 569257121 /nfs/dbraw/zinc/25/71/21/569257121.db2.gz GTYZCQSBCIISOS-QHCPKHFHSA-N 0 0 426.469 2.564 50 0 IFAARN CC(=O)OCC(=O)[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3C(=O)C[C@]21C ZINC000043765400 569257869 /nfs/dbraw/zinc/25/78/69/569257869.db2.gz ADKSQQOMYDIKJT-GROMFVDFSA-N 0 0 442.508 2.907 50 0 IFAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000253417218 569266573 /nfs/dbraw/zinc/26/65/73/569266573.db2.gz NWIYNSDJAWCBFM-DOTOQJQBSA-N 0 0 440.562 2.636 50 0 IFAARN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000253423117 569266908 /nfs/dbraw/zinc/26/69/08/569266908.db2.gz MLFQIYJRJLOFMV-OAQYLSRUSA-N 0 0 439.560 2.699 50 0 IFAARN CCOC(=O)c1cn(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1 ZINC000253431942 569269178 /nfs/dbraw/zinc/26/91/78/569269178.db2.gz YVFVEBZHGMMRPJ-UHFFFAOYSA-N 0 0 425.816 2.711 50 0 IFAARN COC(=O)[C@]1(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)OC(N2CCOCC2)=N1 ZINC000002322336 569274206 /nfs/dbraw/zinc/27/42/06/569274206.db2.gz ZQAXONDMCZEBTI-HNNXBMFYSA-N 0 0 440.205 2.890 50 0 IFAARN COc1ccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)cc1 ZINC000055061056 569282837 /nfs/dbraw/zinc/28/28/37/569282837.db2.gz MWNIZJITOCYNEG-HXUWFJFHSA-N 0 0 433.911 2.537 50 0 IFAARN CCc1ncnc(O[C@H]2CCN(S(=O)(=O)c3ccc(Br)s3)C2)c1F ZINC000253473223 569282911 /nfs/dbraw/zinc/28/29/11/569282911.db2.gz SSGLMYBSPCTXAX-VIFPVBQESA-N 0 0 436.328 2.844 50 0 IFAARN Cc1ccc(NC(=O)C[C@@H]2Cc3c(=O)[nH]c(=O)n(Cc4ccccc4)c3NC2=O)cc1C ZINC000253537595 569284187 /nfs/dbraw/zinc/28/41/87/569284187.db2.gz SPBXVLBNKPGCCH-KRWDZBQOSA-N 0 0 432.480 2.754 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000252478931 569287885 /nfs/dbraw/zinc/28/78/85/569287885.db2.gz AXODCLCWOALDCX-PKQAIAMASA-N 0 0 439.434 2.667 50 0 IFAARN CCOc1cc(/C=c2\sc3nc(-c4ccccc4OC)nn3c2=O)ccc1OC(C)=O ZINC000002381351 569292584 /nfs/dbraw/zinc/29/25/84/569292584.db2.gz JGMWXIVOZDHEKY-UNOMPAQXSA-N 0 0 437.477 2.698 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCC(N)=O)C2=O)cc1 ZINC000009283056 569294948 /nfs/dbraw/zinc/29/49/48/569294948.db2.gz BVMQBRJUIMNXPY-YVLHZVERSA-N 0 0 425.466 2.534 50 0 IFAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)ccc1O ZINC000009440757 569296297 /nfs/dbraw/zinc/29/62/97/569296297.db2.gz MIXWGSOSMRXLIU-FZKGZDJFSA-N 0 0 444.509 2.881 50 0 IFAARN O=C(NCc1ccccn1)c1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225428605 569300025 /nfs/dbraw/zinc/30/00/25/569300025.db2.gz UTQDIVUFZMAIBF-MSOLQXFVSA-N 0 0 443.507 2.825 50 0 IFAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012939949 569305094 /nfs/dbraw/zinc/30/50/94/569305094.db2.gz FGOXBMHUINIBMX-UHFFFAOYSA-N 0 0 430.313 2.578 50 0 IFAARN O=C(CON1C(=O)c2ccccc2C1=O)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000012961330 569305433 /nfs/dbraw/zinc/30/54/33/569305433.db2.gz SMZNEMOZGZRKGT-OYHNWAKOSA-N 0 0 430.416 2.891 50 0 IFAARN CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000013038152 569307707 /nfs/dbraw/zinc/30/77/07/569307707.db2.gz HGKFYKYKHJIKDW-GFCCVEGCSA-N 0 0 441.903 2.580 50 0 IFAARN CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000013038153 569307790 /nfs/dbraw/zinc/30/77/90/569307790.db2.gz HGKFYKYKHJIKDW-LBPRGKRZSA-N 0 0 441.903 2.580 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccc(F)cc1 ZINC000013041646 569308176 /nfs/dbraw/zinc/30/81/76/569308176.db2.gz LFVRMVJWRYRQFA-HXUWFJFHSA-N 0 0 436.505 2.606 50 0 IFAARN CCCN(C(=O)COc1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013057318 569308377 /nfs/dbraw/zinc/30/83/77/569308377.db2.gz DJFXVJZWSTVIEP-UHFFFAOYSA-N 0 0 442.903 2.643 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C)c(C)c3)CC2)c(C)c1 ZINC000013057663 569308409 /nfs/dbraw/zinc/30/84/09/569308409.db2.gz RVWWHTDLHQALQD-UHFFFAOYSA-N 0 0 444.553 2.610 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C)cc(C)c3)CC2)c(C)c1 ZINC000013062398 569308647 /nfs/dbraw/zinc/30/86/47/569308647.db2.gz XPUIEDOYPZVESM-UHFFFAOYSA-N 0 0 444.553 2.610 50 0 IFAARN O=C(COC(=O)CCNS(=O)(=O)c1ccc(F)c(Cl)c1)Nc1ccccc1Cl ZINC000013063184 569308656 /nfs/dbraw/zinc/30/86/56/569308656.db2.gz RWZLIAICAAAFSM-UHFFFAOYSA-N 0 0 449.287 2.983 50 0 IFAARN Cn1c(-c2ccccc2)nn(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1=S ZINC000013071854 569308979 /nfs/dbraw/zinc/30/89/79/569308979.db2.gz JXNIAQXCRLZABJ-UHFFFAOYSA-N 0 0 435.600 2.644 50 0 IFAARN Cc1c(NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c(=O)n(-c2ccccc2)n1C ZINC000013071229 569309050 /nfs/dbraw/zinc/30/90/50/569309050.db2.gz ADEAUQYHHDCJCV-UHFFFAOYSA-N 0 0 435.528 2.610 50 0 IFAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)COC(=O)CCn1c(C)csc1=O ZINC000013101594 569310030 /nfs/dbraw/zinc/31/00/30/569310030.db2.gz WUVPNBRXKBHTFF-UHFFFAOYSA-N 0 0 440.543 2.899 50 0 IFAARN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)NC(=O)NC3CCCC3)n2N)c1 ZINC000013112961 569310490 /nfs/dbraw/zinc/31/04/90/569310490.db2.gz LWANKCSOIOOGQQ-UHFFFAOYSA-N 0 0 446.577 2.863 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(=O)NC4CC4)CC3)cc2)cc1 ZINC000013352905 569313297 /nfs/dbraw/zinc/31/32/97/569313297.db2.gz PSUKDFQTLJGDET-UHFFFAOYSA-N 0 0 441.553 2.927 50 0 IFAARN Cc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N(C)C)sc3SCC2=O)cc1C ZINC000013357506 569313738 /nfs/dbraw/zinc/31/37/38/569313738.db2.gz QFECKBNZZUMVIY-UHFFFAOYSA-N 0 0 439.584 2.693 50 0 IFAARN CCCOc1ccc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000013364431 569314252 /nfs/dbraw/zinc/31/42/52/569314252.db2.gz CTQDXVMSOABJKD-UHFFFAOYSA-N 0 0 436.512 2.879 50 0 IFAARN CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCC2=CCCCC2)cc1 ZINC000013372016 569315060 /nfs/dbraw/zinc/31/50/60/569315060.db2.gz FXMSQOIWTFXSCT-PMACEKPBSA-N 0 0 427.588 2.505 50 0 IFAARN CN1CCN(C(=O)c2cc3nc(-c4ccc5c(c4)OCO5)cc(C(F)(F)F)n3n2)CC1 ZINC000013382136 569315236 /nfs/dbraw/zinc/31/52/36/569315236.db2.gz UBIDLTHYPKQOQS-UHFFFAOYSA-N 0 0 433.390 2.531 50 0 IFAARN Cc1nnc(SCC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)n1-c1cc(C)ccc1C ZINC000328592437 569317226 /nfs/dbraw/zinc/31/72/26/569317226.db2.gz IGBKSJJXRWZNJR-RLLQIKCJSA-N 0 0 430.574 2.673 50 0 IFAARN CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)c1ccc(=O)n(C)n1 ZINC000019358533 569319030 /nfs/dbraw/zinc/31/90/30/569319030.db2.gz XEDVSVYYANSSBL-UHFFFAOYSA-N 0 0 443.481 2.955 50 0 IFAARN CCOC(=O)c1cccc(S(=O)(=O)N[C@@H](c2noc(C)n2)c2ccccc2OC)c1 ZINC000078808808 569319180 /nfs/dbraw/zinc/31/91/80/569319180.db2.gz MIKALBMTHVRTQA-GOSISDBHSA-N 0 0 431.470 2.631 50 0 IFAARN COc1ccc(C(=O)NC[C@@H]2CCC[C@H](O)C2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000078875063 569319784 /nfs/dbraw/zinc/31/97/84/569319784.db2.gz OIELMUHWJOVRFQ-NTDBWNAOSA-N 0 0 438.590 2.643 50 0 IFAARN O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000078879049 569319952 /nfs/dbraw/zinc/31/99/52/569319952.db2.gz DPMMLGNJHWMISA-LBPRGKRZSA-N 0 0 434.319 2.703 50 0 IFAARN O=c1[nH]c2cc(Br)c(S(=O)(=O)NCCCn3ccc4ccccc43)cc2[nH]1 ZINC000078967602 569320617 /nfs/dbraw/zinc/32/06/17/569320617.db2.gz BSLCFWXNCHNERA-UHFFFAOYSA-N 0 0 449.330 2.942 50 0 IFAARN CN(CC(C)(C)CNC(=O)c1ccc2c(c1)OCCO2)C(=O)c1ccc2c(c1)OCCO2 ZINC000078976229 569321369 /nfs/dbraw/zinc/32/13/69/569321369.db2.gz YHCMEZAROIZXPO-UHFFFAOYSA-N 0 0 440.496 2.757 50 0 IFAARN O=C(CN1CC[C@H](C(CO)CO)C1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000078995799 569321768 /nfs/dbraw/zinc/32/17/68/569321768.db2.gz JDFTVFVUWMDKIY-OXJNMPFZSA-N 0 0 431.920 2.533 50 0 IFAARN C[C@H](CO)N1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2Br)CC1 ZINC000079016391 569322109 /nfs/dbraw/zinc/32/21/09/569322109.db2.gz PEVZOJZDZCOPIT-NEPJUHHUSA-N 0 0 449.187 2.537 50 0 IFAARN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000079022311 569322535 /nfs/dbraw/zinc/32/25/35/569322535.db2.gz DOZZAWFIPAPCLJ-ZBWQRKBMSA-N 0 0 435.409 2.779 50 0 IFAARN Cc1nc2ccccc2c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000019620905 569323439 /nfs/dbraw/zinc/32/34/39/569323439.db2.gz ZGLGDSDMKOUOIW-CQSZACIVSA-N 0 0 427.482 2.683 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2nc(N)ns2)CC1 ZINC000079059026 569323786 /nfs/dbraw/zinc/32/37/86/569323786.db2.gz CXBZWQLTSJHETP-VIFPVBQESA-N 0 0 434.875 2.942 50 0 IFAARN CCC[C@@H]1CN(CC(=O)NCc2cccs2)CCN1CC(=O)NCc1cccs1 ZINC000079058960 569323798 /nfs/dbraw/zinc/32/37/98/569323798.db2.gz QOHVTFLMWBRZAP-QGZVFWFLSA-N 0 0 434.631 2.529 50 0 IFAARN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000079069332 569324385 /nfs/dbraw/zinc/32/43/85/569324385.db2.gz IECTXGNLHOSSOT-LIRRHRJNSA-N 0 0 434.489 2.992 50 0 IFAARN CCOc1c(Cl)cc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1OC ZINC000079070801 569324604 /nfs/dbraw/zinc/32/46/04/569324604.db2.gz RTXINHWCRMMODK-UHFFFAOYSA-N 0 0 444.859 2.791 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)c2cccnc12 ZINC000079092278 569325162 /nfs/dbraw/zinc/32/51/62/569325162.db2.gz SMBFRPSSMZDXQV-UHFFFAOYSA-N 0 0 429.546 2.730 50 0 IFAARN C[C@H](c1ccccc1)N(CC(N)=O)CC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000079098180 569325372 /nfs/dbraw/zinc/32/53/72/569325372.db2.gz HPBGEIQMOZQPLJ-CYBMUJFWSA-N 0 0 448.317 2.707 50 0 IFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(OC)c3)C2)cc1 ZINC000079112254 569326138 /nfs/dbraw/zinc/32/61/38/569326138.db2.gz BAXKFXKNTQFLND-LJQANCHMSA-N 0 0 437.543 2.568 50 0 IFAARN CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc(OC)c1 ZINC000079112508 569326255 /nfs/dbraw/zinc/32/62/55/569326255.db2.gz ZDHWEBVWVVLVQN-LJQANCHMSA-N 0 0 437.543 2.568 50 0 IFAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000079189308 569327975 /nfs/dbraw/zinc/32/79/75/569327975.db2.gz VVEAUEIOLRLSJI-WIYYLYMNSA-N 0 0 447.399 2.819 50 0 IFAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCN4CCOCC4)c3N2)cc1 ZINC000019791148 569329240 /nfs/dbraw/zinc/32/92/40/569329240.db2.gz VASYITXAUZGJNA-MSOLQXFVSA-N 0 0 437.466 2.914 50 0 IFAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCN4CCOCC4)c3N2)cc1 ZINC000019791149 569329277 /nfs/dbraw/zinc/32/92/77/569329277.db2.gz VASYITXAUZGJNA-QZTJIDSGSA-N 0 0 437.466 2.914 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)N(C(=O)C3CC3)CC4)ccc21 ZINC000019819500 569329943 /nfs/dbraw/zinc/32/99/43/569329943.db2.gz KMHUZQPSRSPWRU-UHFFFAOYSA-N 0 0 425.510 2.696 50 0 IFAARN CNS(=O)(=O)c1ccc(NC(=O)CCCc2nc(-c3ccccc3OC)no2)cc1 ZINC000019816387 569329990 /nfs/dbraw/zinc/32/99/90/569329990.db2.gz RGSFSLWBTPMZPX-UHFFFAOYSA-N 0 0 430.486 2.615 50 0 IFAARN CC(C)[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1cccnc1 ZINC000079477843 569330779 /nfs/dbraw/zinc/33/07/79/569330779.db2.gz HWRALHYKBOMOHS-FQEVSTJZSA-N 0 0 429.952 2.908 50 0 IFAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(CCc2ccccn2)CC1 ZINC000079485579 569330974 /nfs/dbraw/zinc/33/09/74/569330974.db2.gz MZHXHTDWJWVTNU-UHFFFAOYSA-N 0 0 435.524 2.825 50 0 IFAARN CCc1cccc2c(C=C3NC(=S)N(CC)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c21 ZINC000020058669 569333035 /nfs/dbraw/zinc/33/30/35/569333035.db2.gz ZZPSCVJTYFKSFD-BEWREHSGSA-N 0 0 440.569 2.988 50 0 IFAARN CC(=O)NCCN1C(=S)N(c2ccc(C)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 ZINC000020114865 569335016 /nfs/dbraw/zinc/33/50/16/569335016.db2.gz CNEKJAMNBIRCSK-LJQANCHMSA-N 0 0 442.516 2.601 50 0 IFAARN COc1cc(OC)c([C@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nnnn32)cc1OC ZINC000020133365 569335578 /nfs/dbraw/zinc/33/55/78/569335578.db2.gz DFLKCQJQOUMRSX-IBGZPJMESA-N 0 0 429.477 2.864 50 0 IFAARN CCN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)CC1 ZINC000020153410 569353543 /nfs/dbraw/zinc/35/35/43/569353543.db2.gz SZHJEXUDCQAYQR-BJKOFHAPSA-N 0 0 449.551 2.705 50 0 IFAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390829408 569354156 /nfs/dbraw/zinc/35/41/56/569354156.db2.gz DZNSNAQZYXDXMY-JLTOFOAXSA-N 0 0 435.473 2.710 50 0 IFAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390829411 569354163 /nfs/dbraw/zinc/35/41/63/569354163.db2.gz DZNSNAQZYXDXMY-VBKZILBWSA-N 0 0 435.473 2.710 50 0 IFAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCC(n2nnc3ccsc3c2=O)CC1 ZINC000390829645 569354205 /nfs/dbraw/zinc/35/42/05/569354205.db2.gz FRLGFCJYYAAGET-UHFFFAOYSA-N 0 0 426.527 2.886 50 0 IFAARN COc1ccccc1-c1cc(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)[nH]n1 ZINC000390830673 569354244 /nfs/dbraw/zinc/35/42/44/569354244.db2.gz MPHMGLWKLXAUGM-UHFFFAOYSA-N 0 0 430.468 2.668 50 0 IFAARN CCOc1ccc(/C=C/C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000020178576 569354685 /nfs/dbraw/zinc/35/46/85/569354685.db2.gz VGDDVYNRJQHQOL-FMIVXFBMSA-N 0 0 448.523 2.888 50 0 IFAARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCCN1CCOCC1 ZINC000020181183 569355335 /nfs/dbraw/zinc/35/53/35/569355335.db2.gz NRVBBGRFIAQKSQ-QNGOZBTKSA-N 0 0 441.528 2.754 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2C[C@H]1C ZINC000020209132 569356049 /nfs/dbraw/zinc/35/60/49/569356049.db2.gz SHAJEMQIUUBMFX-GOSISDBHSA-N 0 0 427.570 2.881 50 0 IFAARN CCn1c(CN2CCN(S(C)(=O)=O)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000020215098 569356501 /nfs/dbraw/zinc/35/65/01/569356501.db2.gz OCRQRRZTXAXRJV-UHFFFAOYSA-N 0 0 447.605 2.652 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc2c(c1)OCO2 ZINC000020240082 569357807 /nfs/dbraw/zinc/35/78/07/569357807.db2.gz BFTBKDYPHHRVFC-UHFFFAOYSA-N 0 0 435.502 2.664 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1C)C(=O)CO2 ZINC000020279416 569358632 /nfs/dbraw/zinc/35/86/32/569358632.db2.gz RRNCRHNYEGHFSC-UHFFFAOYSA-N 0 0 449.504 2.529 50 0 IFAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281112 569358726 /nfs/dbraw/zinc/35/87/26/569358726.db2.gz FCZRFXKFDBDGMP-HNNXBMFYSA-N 0 0 436.946 2.814 50 0 IFAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1CCN1CCOCC1 ZINC000020308069 569359511 /nfs/dbraw/zinc/35/95/11/569359511.db2.gz UHZBYTRTPJAJCO-FQEVSTJZSA-N 0 0 426.419 2.949 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1C ZINC000020326893 569360522 /nfs/dbraw/zinc/36/05/22/569360522.db2.gz AXXHPDMPDQYQGO-MRXNPFEDSA-N 0 0 443.525 2.788 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 ZINC000020328299 569360587 /nfs/dbraw/zinc/36/05/87/569360587.db2.gz OXONHZFZETWDDX-SFHVURJKSA-N 0 0 436.436 2.610 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020328741 569360610 /nfs/dbraw/zinc/36/06/10/569360610.db2.gz AADMGXKPFLOYBV-LJQANCHMSA-N 0 0 432.473 2.779 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccccc1C ZINC000020328459 569360635 /nfs/dbraw/zinc/36/06/35/569360635.db2.gz SGJQPPIYCFOBHU-FQEVSTJZSA-N 0 0 428.510 2.948 50 0 IFAARN O=C(CN1CCN(Cc2cccc3cccnc32)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000095356536 569362180 /nfs/dbraw/zinc/36/21/80/569362180.db2.gz FEINJHGLNAJBMO-QFIPXVFZSA-N 0 0 443.595 2.995 50 0 IFAARN O=C(NCCn1ccc2ccc(Br)cc21)[C@@H](c1ccccc1)n1cnnn1 ZINC000080328244 569362231 /nfs/dbraw/zinc/36/22/31/569362231.db2.gz YHPDFOUYXHRELC-GOSISDBHSA-N 0 0 425.290 2.796 50 0 IFAARN CC(C)(C)c1cc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000095389701 569363329 /nfs/dbraw/zinc/36/33/29/569363329.db2.gz ZQUVKIIYWGMZLP-AEFFLSMTSA-N 0 0 445.589 2.941 50 0 IFAARN CCOc1ncc(C(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000095395627 569363552 /nfs/dbraw/zinc/36/35/52/569363552.db2.gz WXKWXMWBCDWZGW-KRWDZBQOSA-N 0 0 437.327 2.772 50 0 IFAARN COc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(C(C)=O)cc3)CC2)cc1OC ZINC000095398544 569363647 /nfs/dbraw/zinc/36/36/47/569363647.db2.gz YLPNLTLOIUXJRO-UHFFFAOYSA-N 0 0 440.496 2.706 50 0 IFAARN CCN1CCN(C(=O)Cn2ncc3c(C)n(Cc4cccc(Cl)c4)c(C)c3c2=O)CC1 ZINC000020417789 569365074 /nfs/dbraw/zinc/36/50/74/569365074.db2.gz NNBZJUSLOPXNHR-UHFFFAOYSA-N 0 0 441.963 2.681 50 0 IFAARN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000095429893 569366071 /nfs/dbraw/zinc/36/60/71/569366071.db2.gz FPAIKTQRZDHLKT-OAHLLOKOSA-N 0 0 429.402 2.931 50 0 IFAARN Cc1nncn1-c1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)c1 ZINC000095451163 569367759 /nfs/dbraw/zinc/36/77/59/569367759.db2.gz JFTSLQTVELMQIR-UHFFFAOYSA-N 0 0 429.477 2.752 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCCC[C@H]1c1nc[nH]n1 ZINC000095454735 569368360 /nfs/dbraw/zinc/36/83/60/569368360.db2.gz DYXPEOMCZWTKAA-SFHVURJKSA-N 0 0 431.566 2.542 50 0 IFAARN O=C(CN1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1)Nc1nncs1 ZINC000095456938 569368942 /nfs/dbraw/zinc/36/89/42/569368942.db2.gz GZOUIUVUDYHOAB-UHFFFAOYSA-N 0 0 437.554 2.971 50 0 IFAARN COc1cccc(CC(=O)NC[C@@H]2CSCCN2C(=O)Cc2cccc(OC)c2)c1 ZINC000095458448 569369162 /nfs/dbraw/zinc/36/91/62/569369162.db2.gz YTPFRXUMEMZIOQ-LJQANCHMSA-N 0 0 428.554 2.549 50 0 IFAARN COC(=O)C[C@@H](NC(=O)c1cnc2c(C)cccn2c1=O)c1ccc(Br)cc1 ZINC000095459400 569369512 /nfs/dbraw/zinc/36/95/12/569369512.db2.gz BLQKMAYISNYUQF-MRXNPFEDSA-N 0 0 444.285 2.800 50 0 IFAARN Cc1cc(C)c(NC(=O)CNC(=O)CN2CCN(C(=O)C(C)(C)C)CC2(C)C)c(C)c1 ZINC000095463380 569370279 /nfs/dbraw/zinc/37/02/79/569370279.db2.gz XKTFOTTWPFQAED-UHFFFAOYSA-N 0 0 430.593 2.635 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3c(C)nc4n3CCCC4)CC2)c(C)c1C ZINC000095465277 569370628 /nfs/dbraw/zinc/37/06/28/569370628.db2.gz GZPWBIURTVRRQE-UHFFFAOYSA-N 0 0 432.590 2.660 50 0 IFAARN CCC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3c(C)nc4n3CCCC4)CC2)c1 ZINC000095465280 569370660 /nfs/dbraw/zinc/37/06/60/569370660.db2.gz HGLCBBYZCMJSBT-UHFFFAOYSA-N 0 0 430.574 2.627 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000095466707 569371077 /nfs/dbraw/zinc/37/10/77/569371077.db2.gz KZJDVWUYHPYXMO-DJJJIMSYSA-N 0 0 436.890 2.789 50 0 IFAARN COc1ccc2cnn(CC(=O)NCCn3ccc4c3cccc4Cl)c(=O)c2c1OC ZINC000095474027 569372451 /nfs/dbraw/zinc/37/24/51/569372451.db2.gz LDFVAEGZFYJSJX-UHFFFAOYSA-N 0 0 440.887 2.838 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3ccc4ccccc43)CC2)cc1 ZINC000095473460 569372481 /nfs/dbraw/zinc/37/24/81/569372481.db2.gz ZYTNXQKDPOXSBQ-UHFFFAOYSA-N 0 0 441.553 2.867 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(-c4ccccn4)cs3)C2=O)cc1 ZINC000095474550 569372630 /nfs/dbraw/zinc/37/26/30/569372630.db2.gz OSGZZXJTEBNOTH-INIZCTEOSA-N 0 0 437.481 2.663 50 0 IFAARN COCCn1cnc2ccc(NC(=O)Cc3c(C)[nH]nc3-c3ccc(OC)cc3)cc2c1=O ZINC000095476173 569372852 /nfs/dbraw/zinc/37/28/52/569372852.db2.gz XDYARRFVQVIBBI-UHFFFAOYSA-N 0 0 447.495 2.931 50 0 IFAARN O=C(NCCCc1nnc2ccccn21)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000095476511 569373068 /nfs/dbraw/zinc/37/30/68/569373068.db2.gz RUQKLSUQZHXRQU-UHFFFAOYSA-N 0 0 447.948 2.675 50 0 IFAARN COc1ccc([C@@H]2[C@@H](C(=O)NCCc3c[nH]cn3)c3ccccc3C(=O)N2C)cc1OC ZINC000095478925 569373624 /nfs/dbraw/zinc/37/36/24/569373624.db2.gz NYPGTDDIHZHTMF-FCHUYYIVSA-N 0 0 434.496 2.696 50 0 IFAARN O=C(Nc1nnc([C@@H]2CCCO2)s1)[C@H](Cc1ccccc1)NC(=O)N1CCSCC1 ZINC000095481532 569374111 /nfs/dbraw/zinc/37/41/11/569374111.db2.gz HRBKTQUEPKYOCC-HOTGVXAUSA-N 0 0 447.586 2.698 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000095482743 569374452 /nfs/dbraw/zinc/37/44/52/569374452.db2.gz YSOMCXAZQBOZKI-MRXNPFEDSA-N 0 0 430.936 2.885 50 0 IFAARN CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)NCc3ccc(OC)cc3)cc2[n-]c1=S ZINC000020645454 569374895 /nfs/dbraw/zinc/37/48/95/569374895.db2.gz OFQLJCLORDDNKC-UHFFFAOYSA-N 0 0 440.569 2.966 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccccc2OS(=O)(=O)c2ccc(C)cc2)S1 ZINC000020896077 569375171 /nfs/dbraw/zinc/37/51/71/569375171.db2.gz LNXZVZVGCOZLTJ-SFHVURJKSA-N 0 0 433.511 2.764 50 0 IFAARN CCOC(=O)[C@](C)(O)CNC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC000095942034 569375547 /nfs/dbraw/zinc/37/55/47/569375547.db2.gz ZFKRRRHTMJEXPU-LJQANCHMSA-N 0 0 428.316 2.769 50 0 IFAARN O=C(COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)Nc1cccc2nsnc21 ZINC000095943787 569375673 /nfs/dbraw/zinc/37/56/73/569375673.db2.gz DNUJLPZOFKUAPJ-JQFCIGGWSA-N 0 0 438.513 2.801 50 0 IFAARN CCOCCCNC(=O)c1cccc(NC(=O)c2cc(Br)c(C)[nH]c2=O)c1 ZINC000095944201 569375684 /nfs/dbraw/zinc/37/56/84/569375684.db2.gz CNXUGGAPLOBIML-UHFFFAOYSA-N 0 0 436.306 2.855 50 0 IFAARN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000095945061 569375759 /nfs/dbraw/zinc/37/57/59/569375759.db2.gz YXSTVYQWUNNRNJ-AWEZNQCLSA-N 0 0 437.562 2.936 50 0 IFAARN CS(=O)(=O)c1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)c(S(C)(=O)=O)c1 ZINC000095946818 569376167 /nfs/dbraw/zinc/37/61/67/569376167.db2.gz WBJUDZVXAJGPPD-UHFFFAOYSA-N 0 0 449.019 2.531 50 0 IFAARN O=C(CN1CCN(CCOc2ccccc2Cl)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000095946965 569376253 /nfs/dbraw/zinc/37/62/53/569376253.db2.gz JYXWMFFZQALKKE-UHFFFAOYSA-N 0 0 444.963 2.783 50 0 IFAARN O=C1CC2(CCCC2)C(=O)N1CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000095947223 569376334 /nfs/dbraw/zinc/37/63/34/569376334.db2.gz GBKODRGRNSYNTF-UHFFFAOYSA-N 0 0 443.935 2.784 50 0 IFAARN Cc1sc2nc(CN3CCN(C(=O)CCCc4ccccn4)CC3)[nH]c(=O)c2c1C ZINC000095948411 569376409 /nfs/dbraw/zinc/37/64/09/569376409.db2.gz RRGHATBSQJVUIZ-UHFFFAOYSA-N 0 0 425.558 2.664 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000095958134 569376943 /nfs/dbraw/zinc/37/69/43/569376943.db2.gz IBHGKFRHVYRGRT-NSHDSACASA-N 0 0 449.385 2.783 50 0 IFAARN CON(C)S(=O)(=O)c1cccc(C(=O)Nc2cnc(Cl)c(Br)c2)c1 ZINC000095971811 569377479 /nfs/dbraw/zinc/37/74/79/569377479.db2.gz KAKZHGZBPXOESH-UHFFFAOYSA-N 0 0 434.699 2.932 50 0 IFAARN COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C(c2ccccc2)c2ccccc2)o1 ZINC000095986211 569378070 /nfs/dbraw/zinc/37/80/70/569378070.db2.gz NJISFEPECHRDHZ-JOCHJYFZSA-N 0 0 429.494 2.928 50 0 IFAARN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000095997691 569379097 /nfs/dbraw/zinc/37/90/97/569379097.db2.gz FMXVLKCUFAATLU-IRXDYDNUSA-N 0 0 425.470 2.559 50 0 IFAARN CO[C@@H]1CCN(c2cc(C(F)(F)F)nc3ncnn32)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000096005720 569379310 /nfs/dbraw/zinc/37/93/10/569379310.db2.gz LPDJPVGLTUFRRF-NWDGAFQWSA-N 0 0 430.431 2.652 50 0 IFAARN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Cc3csc(N4CCCC4=O)n3)C[C@@H]21 ZINC000096010138 569379653 /nfs/dbraw/zinc/37/96/53/569379653.db2.gz YGVIWKXTFDOOSJ-BHYGNILZSA-N 0 0 448.589 2.964 50 0 IFAARN COc1ccc(CNC(=O)NCCn2nc(-n3ccc4ccccc43)ccc2=O)cc1OC ZINC000096025229 569380621 /nfs/dbraw/zinc/38/06/21/569380621.db2.gz PMWDKHGOQGATGW-UHFFFAOYSA-N 0 0 447.495 2.704 50 0 IFAARN COC(=O)N1CCc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2C1 ZINC000096096278 569381192 /nfs/dbraw/zinc/38/11/92/569381192.db2.gz UVFHKOCNKUEPRS-UHFFFAOYSA-N 0 0 443.525 2.848 50 0 IFAARN Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC000096104199 569382158 /nfs/dbraw/zinc/38/21/58/569382158.db2.gz WGXDOZLJTFTSLO-UHFFFAOYSA-N 0 0 444.488 2.825 50 0 IFAARN COc1cccc(CC(=O)N2CCC3(CC2)NC(=O)N(Cc2cc(C)ccc2C)C3=O)c1 ZINC000096105581 569382536 /nfs/dbraw/zinc/38/25/36/569382536.db2.gz SZYVTAFFIGAHMH-UHFFFAOYSA-N 0 0 435.524 2.968 50 0 IFAARN O=C(Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)NC[C@@H]1CCCO1 ZINC000096115146 569383202 /nfs/dbraw/zinc/38/32/02/569383202.db2.gz OQATXAZXDGQCGD-INIZCTEOSA-N 0 0 428.492 2.870 50 0 IFAARN COc1ccc2cc([C@@H]3SCC(=O)Nc4c3c(=O)[nH]n4C3CCOCC3)c(=O)[nH]c2c1 ZINC000096117321 569384058 /nfs/dbraw/zinc/38/40/58/569384058.db2.gz JKKRMNKUSONUQS-SFHVURJKSA-N 0 0 442.497 2.565 50 0 IFAARN O=C(CN1c2cccnc2Oc2ccccc2C1=O)N1CCN(Cc2ccccn2)CC1 ZINC000096118891 569384543 /nfs/dbraw/zinc/38/45/43/569384543.db2.gz PWQWAXXHZRKDDH-UHFFFAOYSA-N 0 0 429.480 2.574 50 0 IFAARN COCC(=O)N1CCCc2ccc(NS(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)cc21 ZINC000096120156 569384931 /nfs/dbraw/zinc/38/49/31/569384931.db2.gz MOOJDUQFOXECDP-AOMKIAJQSA-N 0 0 434.558 2.749 50 0 IFAARN CNC(=O)c1ccc(NC(=O)/C=C\c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000096121171 569385076 /nfs/dbraw/zinc/38/50/76/569385076.db2.gz VJRQJYCYWZGBHC-MLPAPPSSSA-N 0 0 439.493 2.770 50 0 IFAARN COc1ccc(CCC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1Br ZINC000096122077 569385114 /nfs/dbraw/zinc/38/51/14/569385114.db2.gz RHXADOVLSMVLKG-UHFFFAOYSA-N 0 0 442.331 2.809 50 0 IFAARN COc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 ZINC000096124106 569385418 /nfs/dbraw/zinc/38/54/18/569385418.db2.gz GUPGRCYCWDCWGT-CYBMUJFWSA-N 0 0 447.421 2.940 50 0 IFAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)c(Br)c1 ZINC000096124149 569385518 /nfs/dbraw/zinc/38/55/18/569385518.db2.gz LSWSKYPGCZDBEX-AWEZNQCLSA-N 0 0 442.321 2.983 50 0 IFAARN O=C(/C=C\c1cc(Br)ccc1F)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000096189936 569386195 /nfs/dbraw/zinc/38/61/95/569386195.db2.gz REJWDFYGLPQYMO-IMXKFXGHSA-N 0 0 425.298 2.841 50 0 IFAARN CN1CCN(C(=O)[C@@H]2CN(C(=O)c3ccco3)C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000096211299 569386541 /nfs/dbraw/zinc/38/65/41/569386541.db2.gz DWIIHEIPCITTLN-ZWKOTPCHSA-N 0 0 435.446 2.928 50 0 IFAARN COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1CC(C)C ZINC000096231416 569387605 /nfs/dbraw/zinc/38/76/05/569387605.db2.gz PQQPNTRBJYIOAK-AWEZNQCLSA-N 0 0 444.513 2.577 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc(OC)cc3OC)C2=O)cc1 ZINC000096232038 569387736 /nfs/dbraw/zinc/38/77/36/569387736.db2.gz VBYYLMBVPLLPPK-SFHVURJKSA-N 0 0 427.457 2.552 50 0 IFAARN COc1ccc([C@@H]2[C@H](S(=O)(=O)NCC3CC3)CON2C)cc1OCc1ccccc1 ZINC000096247530 569388002 /nfs/dbraw/zinc/38/80/02/569388002.db2.gz CQFZEABZDVSLNV-FGZHOGPDSA-N 0 0 432.542 2.890 50 0 IFAARN O=C(c1ccc(F)cc1F)N1CCc2nc(N3CCOCC3)nc(N3CCCCC3)c2C1 ZINC000096280966 569389830 /nfs/dbraw/zinc/38/98/30/569389830.db2.gz PAPGUMDANFTFBC-UHFFFAOYSA-N 0 0 443.498 2.780 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(CCNC(=O)C[C@@H]2Oc3ccccc3NC2=O)CC1 ZINC000096286632 569390157 /nfs/dbraw/zinc/39/01/57/569390157.db2.gz ZJRRSOQWFGKNFW-NRFANRHFSA-N 0 0 442.947 2.676 50 0 IFAARN CN1C2=C(C(=O)N(C(C)(C)C(=O)NCc3ccco3)C2)[C@@H](c2ccccc2Cl)NC1=O ZINC000096287163 569390327 /nfs/dbraw/zinc/39/03/27/569390327.db2.gz LIBXSFMPNVTARF-GOSISDBHSA-N 0 0 442.903 2.820 50 0 IFAARN CCN1C2=C(C(=O)N(C(C)(C)C(=O)NCc3ccccn3)C2)[C@@H](c2ccc(C)cc2)NC1=O ZINC000096291289 569391137 /nfs/dbraw/zinc/39/11/37/569391137.db2.gz SCTIGVBRFPKNRS-OAQYLSRUSA-N 0 0 447.539 2.668 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1c2sc(=O)[nH]c2SC[C@]1(C)C(N)=O ZINC000096306080 569392172 /nfs/dbraw/zinc/39/21/72/569392172.db2.gz JBIZMGMZXRGJME-RBZFPXEDSA-N 0 0 444.538 2.528 50 0 IFAARN CC(C)c1ccc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)cc1 ZINC000096307762 569392180 /nfs/dbraw/zinc/39/21/80/569392180.db2.gz JWCJBJMWLNIVAP-UHFFFAOYSA-N 0 0 429.473 2.977 50 0 IFAARN Cn1c(CNC(=O)[C@@H]2CN(S(=O)(=O)C3CC3)CC23CCCCC3)nc2ccccc21 ZINC000096309523 569392309 /nfs/dbraw/zinc/39/23/09/569392309.db2.gz VTAVSEPCGSTWPR-KRWDZBQOSA-N 0 0 430.574 2.564 50 0 IFAARN COCC(=O)N1CCN(c2nc(C(C)C)nc(COC)c2Cc2ccccc2F)CC1 ZINC000096316796 569392931 /nfs/dbraw/zinc/39/29/31/569392931.db2.gz VGNLIJVXQZEPRB-UHFFFAOYSA-N 0 0 430.524 2.771 50 0 IFAARN Cc1ccc2c(c1)c(=O)n(Cc1ccccc1)c(=O)n2[C@H](C)C(=O)NCc1cccnc1 ZINC000096318324 569393895 /nfs/dbraw/zinc/39/38/95/569393895.db2.gz DNXTUVRDFYOVRB-GOSISDBHSA-N 0 0 428.492 2.792 50 0 IFAARN COc1ccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCOCC3)c2C)cc1Cl ZINC000096320054 569394014 /nfs/dbraw/zinc/39/40/14/569394014.db2.gz UULIYKPUPMMNKP-UHFFFAOYSA-N 0 0 427.910 2.567 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@H](c2nc(-c3ccc4c(c3)[nH]c(=O)n4C)no2)C(C)C)cc1 ZINC000096321530 569394037 /nfs/dbraw/zinc/39/40/37/569394037.db2.gz TVDPGUJGYMIVMA-GOSISDBHSA-N 0 0 441.513 2.901 50 0 IFAARN Cn1c(=O)c(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)nc2cccnc21 ZINC000096321697 569394174 /nfs/dbraw/zinc/39/41/74/569394174.db2.gz OKVHIKNGFVCZPS-UHFFFAOYSA-N 0 0 432.406 2.701 50 0 IFAARN CCn1c(=O)c(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc2cccnc21 ZINC000096321645 569394188 /nfs/dbraw/zinc/39/41/88/569394188.db2.gz MKFVMVDODRHJCR-UHFFFAOYSA-N 0 0 430.871 2.958 50 0 IFAARN CC1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N(C)C)cs3)CC2)CC1 ZINC000096321881 569394257 /nfs/dbraw/zinc/39/42/57/569394257.db2.gz HROCLGSPFZIQBB-UHFFFAOYSA-N 0 0 441.619 2.546 50 0 IFAARN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C)n1 ZINC000096322071 569394417 /nfs/dbraw/zinc/39/44/17/569394417.db2.gz PZZPPGOAQYVRCE-UHFFFAOYSA-N 0 0 428.470 2.858 50 0 IFAARN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000096322234 569394445 /nfs/dbraw/zinc/39/44/45/569394445.db2.gz FLQLHELWSUFZPY-UHFFFAOYSA-N 0 0 428.514 2.537 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1nc2c3cc(-c4ccccc4)nn3ccn2c1=O ZINC000096322446 569394549 /nfs/dbraw/zinc/39/45/49/569394549.db2.gz BLQABTSDYMKKCZ-UHFFFAOYSA-N 0 0 428.452 2.848 50 0 IFAARN CCN(C(=O)Cn1nc2c3cc(-c4ccc(OC)cc4)nn3ccn2c1=O)c1ccccc1 ZINC000096322592 569394755 /nfs/dbraw/zinc/39/47/55/569394755.db2.gz ZNIFARCTEDTMBW-UHFFFAOYSA-N 0 0 442.479 2.872 50 0 IFAARN O=C(NC1CC1)c1sccc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000096322616 569394801 /nfs/dbraw/zinc/39/48/01/569394801.db2.gz OHSUCRDGMXZOHG-UHFFFAOYSA-N 0 0 425.963 2.805 50 0 IFAARN O=C(NC1CC1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000096322637 569394835 /nfs/dbraw/zinc/39/48/35/569394835.db2.gz BXEPWAJGJGJKAL-UHFFFAOYSA-N 0 0 425.963 2.805 50 0 IFAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1C ZINC000096323345 569395207 /nfs/dbraw/zinc/39/52/07/569395207.db2.gz GDBFGPRNBNINTL-UHFFFAOYSA-N 0 0 445.372 2.973 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCCCC1 ZINC000096324049 569395728 /nfs/dbraw/zinc/39/57/28/569395728.db2.gz FLBCEOULCIATNG-UHFFFAOYSA-N 0 0 425.576 2.542 50 0 IFAARN COc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)c(OC)c1 ZINC000096324648 569395935 /nfs/dbraw/zinc/39/59/35/569395935.db2.gz PDRQUISRENIWMD-UHFFFAOYSA-N 0 0 435.484 2.980 50 0 IFAARN COc1cc(Cl)ccc1C(=O)N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000096324941 569396069 /nfs/dbraw/zinc/39/60/69/569396069.db2.gz HNWMOFMPOHELKV-UHFFFAOYSA-N 0 0 425.876 2.732 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)c1 ZINC000096324759 569396102 /nfs/dbraw/zinc/39/61/02/569396102.db2.gz FPDVRVLRGWBUMS-INIZCTEOSA-N 0 0 435.484 2.980 50 0 IFAARN O=C(c1cc(-c2ccncc2)n[nH]1)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000096324852 569396197 /nfs/dbraw/zinc/39/61/97/569396197.db2.gz GHYUGXIZEKVFOC-UHFFFAOYSA-N 0 0 440.301 2.832 50 0 IFAARN O=C(CCn1nnc2cc(-c3noc(-c4n[nH]c5c4CCCC5)n3)ccc21)N1CCCC1 ZINC000096328197 569396327 /nfs/dbraw/zinc/39/63/27/569396327.db2.gz STAWMVLZZWQWOE-UHFFFAOYSA-N 0 0 432.488 2.763 50 0 IFAARN COc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N=c2[nH]c3ccccc3[nH]2)cc(OC)c1OC ZINC000096332437 569396434 /nfs/dbraw/zinc/39/64/34/569396434.db2.gz KMPOMHPKXXEVMR-KRWDZBQOSA-N 0 0 440.500 2.794 50 0 IFAARN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000096357207 569397414 /nfs/dbraw/zinc/39/74/14/569397414.db2.gz JPKDOBUOWNHYRN-UHFFFAOYSA-N 0 0 430.574 2.821 50 0 IFAARN CN(C)c1cccc(C(=O)N2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)c1 ZINC000096358553 569397460 /nfs/dbraw/zinc/39/74/60/569397460.db2.gz TUNUDGSSPOKCGM-UHFFFAOYSA-N 0 0 437.931 2.914 50 0 IFAARN COc1ccc(OC)c(CNC(=O)Cn2c3cccnc3n(-c3ccc(F)cc3)c2=O)c1 ZINC000096385760 569398261 /nfs/dbraw/zinc/39/82/61/569398261.db2.gz BWVBZHYBIYMQPM-UHFFFAOYSA-N 0 0 436.443 2.660 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3cccnc3n(-c3ccc(F)cc3)c2=O)c(OC)c1 ZINC000096385766 569398266 /nfs/dbraw/zinc/39/82/66/569398266.db2.gz IAOCHVISFDVZRC-UHFFFAOYSA-N 0 0 436.443 2.660 50 0 IFAARN CSc1ncccc1C(=O)NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21 ZINC000096386046 569398299 /nfs/dbraw/zinc/39/82/99/569398299.db2.gz MJFGXBROAVARCY-UHFFFAOYSA-N 0 0 437.500 2.932 50 0 IFAARN COc1cccc(CNC(=O)Cn2c3cccnc3n(-c3ccc(C)cc3)c2=O)c1OC ZINC000096385503 569398344 /nfs/dbraw/zinc/39/83/44/569398344.db2.gz BNHZVKPZNARMMU-UHFFFAOYSA-N 0 0 432.480 2.829 50 0 IFAARN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(Br)s3)C2=O)cc1 ZINC000096396200 569398978 /nfs/dbraw/zinc/39/89/78/569398978.db2.gz DOQVMJLIRLWUQQ-LBPRGKRZSA-N 0 0 431.333 2.603 50 0 IFAARN CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccc(C)cc3)CC2)c1=O ZINC000096396731 569399221 /nfs/dbraw/zinc/39/92/21/569399221.db2.gz LWWYEKGUSSSALX-UHFFFAOYSA-N 0 0 427.530 2.630 50 0 IFAARN CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3cccc(C)c3)CC2)c1=O ZINC000096396727 569399251 /nfs/dbraw/zinc/39/92/51/569399251.db2.gz PCMXMJXPEIUQET-UHFFFAOYSA-N 0 0 427.530 2.630 50 0 IFAARN COc1ccc(CNC(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)cc1 ZINC000096397106 569399309 /nfs/dbraw/zinc/39/93/09/569399309.db2.gz KXMJJKXUFZHKTM-UHFFFAOYSA-N 0 0 442.516 2.553 50 0 IFAARN COc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)c(C)c1 ZINC000096396993 569399364 /nfs/dbraw/zinc/39/93/64/569399364.db2.gz BIQBCQHJVADBEV-UHFFFAOYSA-N 0 0 427.501 2.792 50 0 IFAARN CCc1ccccc1S(=O)(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1 ZINC000096397172 569399420 /nfs/dbraw/zinc/39/94/20/569399420.db2.gz DJDFAJFCQSEHAY-UHFFFAOYSA-N 0 0 447.557 2.586 50 0 IFAARN COC(=O)c1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)c1 ZINC000096400015 569400294 /nfs/dbraw/zinc/40/02/94/569400294.db2.gz HNRZCTRCQZABEN-UHFFFAOYSA-N 0 0 438.509 2.959 50 0 IFAARN CCc1nc2c(s1)c(C)nn(CC(=O)N1CCN(c3cccc(C)c3C)CC1)c2=O ZINC000096400087 569400336 /nfs/dbraw/zinc/40/03/36/569400336.db2.gz FABRDEJTUNMNAT-UHFFFAOYSA-N 0 0 425.558 2.689 50 0 IFAARN COc1ccc(CN(C)C(=O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000096955833 569402628 /nfs/dbraw/zinc/40/26/28/569402628.db2.gz ONFGMGNLSJEAEM-UHFFFAOYSA-N 0 0 438.572 2.527 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2n[nH]cc2C(=O)N2CCOCC2)oc1C ZINC000097161493 569403290 /nfs/dbraw/zinc/40/32/90/569403290.db2.gz FNFVWXYAPKINGE-UHFFFAOYSA-N 0 0 444.513 2.666 50 0 IFAARN Cc1cccc(CCn2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)c1 ZINC000002467878 569403907 /nfs/dbraw/zinc/40/39/07/569403907.db2.gz LRCMENMPCCZBIN-UHFFFAOYSA-N 0 0 438.487 2.771 50 0 IFAARN Cc1ccccc1-n1c(=O)[nH]nc1CC1CCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1 ZINC000225549786 569404177 /nfs/dbraw/zinc/40/41/77/569404177.db2.gz NWIIRPLTDGGQEK-UHFFFAOYSA-N 0 0 427.892 2.718 50 0 IFAARN Cc1ccccc1-n1c(CC2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)n[nH]c1=O ZINC000225549155 569404199 /nfs/dbraw/zinc/40/41/99/569404199.db2.gz GEYXTGGVIRIANS-MRXNPFEDSA-N 0 0 443.548 2.563 50 0 IFAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1 ZINC000225562953 569404507 /nfs/dbraw/zinc/40/45/07/569404507.db2.gz PAFBEQQVUZWPFH-UHFFFAOYSA-N 0 0 446.508 2.709 50 0 IFAARN O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3cc(=O)[nH]c4ccccc43)CC2)n[nH]1 ZINC000225564620 569404639 /nfs/dbraw/zinc/40/46/39/569404639.db2.gz IVZCDWADNWAZDD-UHFFFAOYSA-N 0 0 447.417 2.975 50 0 IFAARN COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)ccc1O ZINC000027988590 569405314 /nfs/dbraw/zinc/40/53/14/569405314.db2.gz QCKNOIILUDZJLU-RLFYNMQTSA-N 0 0 428.338 2.644 50 0 IFAARN CCCN(CCC)C(=O)Cn1c2ccsc2c(=O)n(-c2cc(OC)cc(OC)c2)c1=O ZINC000002498349 569405673 /nfs/dbraw/zinc/40/56/73/569405673.db2.gz VYELZAPWJIUJJW-UHFFFAOYSA-N 0 0 445.541 2.880 50 0 IFAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2cncc(-c3cccs3)c2)cc1 ZINC000225669524 569406537 /nfs/dbraw/zinc/40/65/37/569406537.db2.gz VUUIOGOOXWDQDF-UHFFFAOYSA-N 0 0 427.507 2.942 50 0 IFAARN CO[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)s1 ZINC000225707798 569407269 /nfs/dbraw/zinc/40/72/69/569407269.db2.gz DBUGMLSFWOYSHT-CYBMUJFWSA-N 0 0 428.919 2.721 50 0 IFAARN O=C1CCc2cc(S(=O)(=O)NC[C@@H](O)c3csc4ccccc43)cc3c2N1CC3 ZINC000225696841 569407277 /nfs/dbraw/zinc/40/72/77/569407277.db2.gz LHLXLUMZGSFYKR-GOSISDBHSA-N 0 0 428.535 2.749 50 0 IFAARN Cc1nc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)n1 ZINC000225732912 569407650 /nfs/dbraw/zinc/40/76/50/569407650.db2.gz XVEYJOHPCNIVCG-AWEZNQCLSA-N 0 0 443.470 2.852 50 0 IFAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000225743072 569408011 /nfs/dbraw/zinc/40/80/11/569408011.db2.gz YLPYASGFFSNBGA-UHFFFAOYSA-N 0 0 437.978 2.834 50 0 IFAARN Cn1nc(-c2cccs2)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000225759283 569408190 /nfs/dbraw/zinc/40/81/90/569408190.db2.gz NSWHFLRJZGIKQI-UHFFFAOYSA-N 0 0 435.509 2.629 50 0 IFAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000225758653 569408201 /nfs/dbraw/zinc/40/82/01/569408201.db2.gz NBOYEUZPSCONQP-UHFFFAOYSA-N 0 0 429.480 2.568 50 0 IFAARN Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000028226944 569409220 /nfs/dbraw/zinc/40/92/20/569409220.db2.gz MTBPMKJXBACMFE-LLVKDONJSA-N 0 0 447.259 2.673 50 0 IFAARN COc1ccc(NC(=S)N[C@@H](NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)cc1 ZINC000028293904 569409662 /nfs/dbraw/zinc/40/96/62/569409662.db2.gz XLPLUIJTUOVRGJ-LBPRGKRZSA-N 0 0 441.768 2.720 50 0 IFAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000002620937 569411021 /nfs/dbraw/zinc/41/10/21/569411021.db2.gz BFOFANIOJDIWIN-UHFFFAOYSA-N 0 0 439.427 2.839 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3C[C@@H](C)O[C@H](C)C3)C2=O)cc1 ZINC000215686728 569412200 /nfs/dbraw/zinc/41/22/00/569412200.db2.gz MEGUYTZYQCPVGH-IOASZLSFSA-N 0 0 436.555 2.623 50 0 IFAARN CCn1c(=O)c2cc3c(cc2nc1N1CCN(C(=O)Nc2ccccc2)CC1)OCCO3 ZINC000028555655 569412204 /nfs/dbraw/zinc/41/22/04/569412204.db2.gz JIYIKYHPYORCKW-UHFFFAOYSA-N 0 0 435.484 2.542 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)c2ccc(Br)cc2)c1 ZINC000002651456 569414837 /nfs/dbraw/zinc/41/48/37/569414837.db2.gz RGOJSGOXXRCIAL-NSHDSACASA-N 0 0 426.288 2.785 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1C ZINC000002663091 569416302 /nfs/dbraw/zinc/41/63/02/569416302.db2.gz OBIUUTAXOHKRMJ-UHFFFAOYSA-N 0 0 443.525 2.853 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000002664144 569416352 /nfs/dbraw/zinc/41/63/52/569416352.db2.gz QXEDOFKNJHMJFO-ZDUSSCGKSA-N 0 0 439.921 2.950 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCCCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000028668533 569417012 /nfs/dbraw/zinc/41/70/12/569417012.db2.gz GUDDALKIVWRFRE-SFHVURJKSA-N 0 0 441.557 2.820 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccccc2C)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000002693796 569417107 /nfs/dbraw/zinc/41/71/07/569417107.db2.gz IMPVFKXOLVONFW-MOPGFXCFSA-N 0 0 445.566 2.717 50 0 IFAARN COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCC[C@H]43)C2=O)cc1OC ZINC000230013768 569417485 /nfs/dbraw/zinc/41/74/85/569417485.db2.gz PWMQBAAJQGLVMB-SQJMNOBHSA-N 0 0 449.507 2.741 50 0 IFAARN Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccc4c(c2)OCO4)[nH]c3=O)cc1 ZINC000002717928 569418034 /nfs/dbraw/zinc/41/80/34/569418034.db2.gz XSKCRBMUYHRGKT-UHFFFAOYSA-N 0 0 435.465 2.877 50 0 IFAARN Cc1nnc(NC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000002725897 569418527 /nfs/dbraw/zinc/41/85/27/569418527.db2.gz PAIFXNNOPMRDCO-UHFFFAOYSA-N 0 0 429.483 2.953 50 0 IFAARN Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000002728868 569418742 /nfs/dbraw/zinc/41/87/42/569418742.db2.gz NUKGPZDCHALSJM-UHFFFAOYSA-N 0 0 442.944 2.951 50 0 IFAARN COC(=O)c1sc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C(N)=O)c1C ZINC000002752099 569420323 /nfs/dbraw/zinc/42/03/23/569420323.db2.gz PBCUINCFWJLNRW-UHFFFAOYSA-N 0 0 430.408 2.673 50 0 IFAARN CCn1cc(NC(=O)[C@@H](C)n2cc(Br)c(C)n2)c(C(=O)NCc2ccco2)n1 ZINC000002792544 569421914 /nfs/dbraw/zinc/42/19/14/569421914.db2.gz GAUIQFXCLUOFJJ-GFCCVEGCSA-N 0 0 449.309 2.893 50 0 IFAARN C[C@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(-c3nc4c5cnn(C)c5ncn4n3)cc2N1 ZINC000002802916 569422534 /nfs/dbraw/zinc/42/25/34/569422534.db2.gz IWCFUHRISADRMF-OIBJUYFYSA-N 0 0 427.341 2.817 50 0 IFAARN NC(=O)c1ccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2nccs2)cc1 ZINC000002925020 569425499 /nfs/dbraw/zinc/42/54/99/569425499.db2.gz VXXUOUHYLDBRNO-UHFFFAOYSA-N 0 0 443.535 2.733 50 0 IFAARN Cc1ccc(NC(=O)CNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1F ZINC000002924717 569425530 /nfs/dbraw/zinc/42/55/30/569425530.db2.gz HIHBBUUSVHSDLH-UHFFFAOYSA-N 0 0 428.489 2.539 50 0 IFAARN COCCCNC(=O)C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccco1 ZINC000002938480 569426404 /nfs/dbraw/zinc/42/64/04/569426404.db2.gz UHESSVVWHIVDIB-HNNXBMFYSA-N 0 0 445.335 2.605 50 0 IFAARN O=C(c1c(F)cccc1F)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000002939188 569426533 /nfs/dbraw/zinc/42/65/33/569426533.db2.gz GSTDSFNSTNAFBN-UHFFFAOYSA-N 0 0 445.285 2.874 50 0 IFAARN COc1cc2c(cc1OC)n(CC(=O)NCc1ccccc1Cl)n1c2nc(=O)cc1C ZINC000002948044 569427073 /nfs/dbraw/zinc/42/70/73/569427073.db2.gz BAEAURFUOFWYEO-UHFFFAOYSA-N 0 0 440.887 2.945 50 0 IFAARN CCCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2C1 ZINC000056928506 569427811 /nfs/dbraw/zinc/42/78/11/569427811.db2.gz DSHXPEFXBUXZQT-UHFFFAOYSA-N 0 0 434.587 2.948 50 0 IFAARN CCCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3F)CC2)cc1 ZINC000056997695 569428773 /nfs/dbraw/zinc/42/87/73/569428773.db2.gz RYICIPGEZYOPOI-UHFFFAOYSA-N 0 0 448.564 2.665 50 0 IFAARN COc1ccc(N2C(=O)CN(C3CCCCCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000056998177 569429128 /nfs/dbraw/zinc/42/91/28/569429128.db2.gz OAICUUDHJRMJRG-MSOLQXFVSA-N 0 0 426.966 2.886 50 0 IFAARN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(c2ccccc2F)CC1 ZINC000057063852 569429410 /nfs/dbraw/zinc/42/94/10/569429410.db2.gz JGVIGOLJEUJNFH-UHFFFAOYSA-N 0 0 440.475 2.863 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C ZINC000057270854 569430308 /nfs/dbraw/zinc/43/03/08/569430308.db2.gz PALJBXMSOJGLGP-MRXNPFEDSA-N 0 0 449.548 2.941 50 0 IFAARN O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ncccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000057293575 569430503 /nfs/dbraw/zinc/43/05/03/569430503.db2.gz CJTYWMOEBGKQQP-UHFFFAOYSA-N 0 0 444.369 2.857 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1)Nc1cccc(F)c1 ZINC000057303423 569430650 /nfs/dbraw/zinc/43/06/50/569430650.db2.gz WCXZEEBGRGGKCR-QFIPXVFZSA-N 0 0 441.503 2.780 50 0 IFAARN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000057327258 569431077 /nfs/dbraw/zinc/43/10/77/569431077.db2.gz ZLPMWQRWNZGDMF-GOSISDBHSA-N 0 0 430.505 2.852 50 0 IFAARN COC(=O)c1cc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc(C(=O)OC)c1 ZINC000057364062 569432092 /nfs/dbraw/zinc/43/20/92/569432092.db2.gz CPHGAKXABONRKI-UHFFFAOYSA-N 0 0 445.903 2.674 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)CCC3=NS(=O)(=O)c4ccccc4N3)CC2)cc1 ZINC000002960194 569432572 /nfs/dbraw/zinc/43/25/72/569432572.db2.gz VDCNZJCKMSEMES-UHFFFAOYSA-N 0 0 440.525 2.531 50 0 IFAARN CCOC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NC3CCCCC3)C(=O)N21 ZINC000002967974 569433038 /nfs/dbraw/zinc/43/30/38/569433038.db2.gz YNPXAMJZDOQDLI-KRWDZBQOSA-N 0 0 442.541 2.780 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057414944 569433972 /nfs/dbraw/zinc/43/39/72/569433972.db2.gz QCSLXBBKJHXYLQ-NRFANRHFSA-N 0 0 440.931 2.943 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCC(C)C)c2=O)cc1OC ZINC000057426661 569434629 /nfs/dbraw/zinc/43/46/29/569434629.db2.gz UMYOPGALXXZXAE-UHFFFAOYSA-N 0 0 431.514 2.927 50 0 IFAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)CS(=O)(=O)C3)cc1 ZINC000003009393 569435291 /nfs/dbraw/zinc/43/52/91/569435291.db2.gz JVQBZJWLBWMJMM-UHFFFAOYSA-N 0 0 427.482 2.960 50 0 IFAARN Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2F)cc1 ZINC000003020968 569435919 /nfs/dbraw/zinc/43/59/19/569435919.db2.gz COTZGEHDKJXFBO-UHFFFAOYSA-N 0 0 448.516 2.592 50 0 IFAARN CCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O ZINC000057485840 569436353 /nfs/dbraw/zinc/43/63/53/569436353.db2.gz HNTBFAIMJOLDJU-UHFFFAOYSA-N 0 0 437.905 2.944 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3C)c2=O)cc1 ZINC000057489824 569437070 /nfs/dbraw/zinc/43/70/70/569437070.db2.gz VWCXLICGVQNMHZ-UHFFFAOYSA-N 0 0 449.488 2.948 50 0 IFAARN COc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2OC)c1=O ZINC000057490683 569437173 /nfs/dbraw/zinc/43/71/73/569437173.db2.gz SVHACOPUDDJCIP-UHFFFAOYSA-N 0 0 437.477 2.870 50 0 IFAARN Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NCc5ccccc5)nc34)n2)cc1 ZINC000057503385 569438069 /nfs/dbraw/zinc/43/80/69/569438069.db2.gz LAZUJHCMZHCWLM-UHFFFAOYSA-N 0 0 440.463 2.838 50 0 IFAARN CC[C@@H](C)NC(=O)Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O ZINC000057503262 569438096 /nfs/dbraw/zinc/43/80/96/569438096.db2.gz LIVZUSSITWRRFE-GFCCVEGCSA-N 0 0 426.864 2.781 50 0 IFAARN CN(C(=O)Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)c1ccccc1 ZINC000057503922 569438127 /nfs/dbraw/zinc/43/81/27/569438127.db2.gz RHPYEZOGFIOFNA-UHFFFAOYSA-N 0 0 426.436 2.876 50 0 IFAARN CC[C@H](C)NC(=O)Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O ZINC000057504472 569438155 /nfs/dbraw/zinc/43/81/55/569438155.db2.gz BGRPNCCCKGZNTF-LBPRGKRZSA-N 0 0 426.864 2.781 50 0 IFAARN CCc1cc(=O)n(CC(=O)NCc2ccc(OC)c(OC)c2)c(-c2cccc(F)c2)n1 ZINC000057508290 569438365 /nfs/dbraw/zinc/43/83/65/569438365.db2.gz HTWWVPROKWOQMW-UHFFFAOYSA-N 0 0 425.460 2.945 50 0 IFAARN COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N)n2)cc1 ZINC000057510498 569438368 /nfs/dbraw/zinc/43/83/68/569438368.db2.gz HWZAGUXNRUDNPN-UHFFFAOYSA-N 0 0 444.538 2.939 50 0 IFAARN CCOC(=O)[C@@H]1[C@H](c2c(OC)ccc3ccccc32)NC(=S)N[C@]1(O)C(F)(F)F ZINC000057531347 569439486 /nfs/dbraw/zinc/43/94/86/569439486.db2.gz SAOWSHFBPDQXGO-RLFYNMQTSA-N 0 0 428.432 2.797 50 0 IFAARN COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1OC ZINC000057531371 569439487 /nfs/dbraw/zinc/43/94/87/569439487.db2.gz BZYJITTWENPWEU-GJYPPUQNSA-N 0 0 440.443 2.973 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(C)ccn1)n2C ZINC000057625601 569440375 /nfs/dbraw/zinc/44/03/75/569440375.db2.gz KHZPLZRGPJLUOV-UHFFFAOYSA-N 0 0 429.546 2.879 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(C)cn1)n2C ZINC000057632667 569440459 /nfs/dbraw/zinc/44/04/59/569440459.db2.gz KQGXGZYVXQXAID-UHFFFAOYSA-N 0 0 429.546 2.879 50 0 IFAARN CC(=O)Nc1ccc2c(COC(=O)CCn3c4ccccc4n(C)c3=O)cc(=O)oc2c1 ZINC000057710163 569440955 /nfs/dbraw/zinc/44/09/55/569440955.db2.gz OFYPYRZIJWUUAP-UHFFFAOYSA-N 0 0 435.436 2.538 50 0 IFAARN CCOc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000057738412 569441177 /nfs/dbraw/zinc/44/11/77/569441177.db2.gz PLYIDAGUNBEPRI-UXHICEINSA-N 0 0 434.945 2.753 50 0 IFAARN CC1(C)Cc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2C(=O)C1 ZINC000003199213 569441537 /nfs/dbraw/zinc/44/15/37/569441537.db2.gz FFZFRNIRBMGIRA-UHFFFAOYSA-N 0 0 449.554 2.571 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000003203398 569441694 /nfs/dbraw/zinc/44/16/94/569441694.db2.gz FILJSODXMNQRHA-UHFFFAOYSA-N 0 0 438.527 2.506 50 0 IFAARN C[C@H]1CN(c2ccc(NC(=O)NCc3ccc(-n4cncn4)nc3)cc2F)C[C@H](C)O1 ZINC000057853904 569441998 /nfs/dbraw/zinc/44/19/98/569441998.db2.gz AFUUPIKGAVBBNT-GJZGRUSLSA-N 0 0 425.468 2.737 50 0 IFAARN CC(=O)N1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000057860206 569442002 /nfs/dbraw/zinc/44/20/02/569442002.db2.gz WVOVUZFNCYFGHK-OAQYLSRUSA-N 0 0 427.932 2.762 50 0 IFAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCCCC1 ZINC000003229283 569442258 /nfs/dbraw/zinc/44/22/58/569442258.db2.gz CUPULODIBGNHJD-UHFFFAOYSA-N 0 0 428.938 2.684 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)CCS(=O)(=O)c1ccccc1 ZINC000003243118 569442629 /nfs/dbraw/zinc/44/26/29/569442629.db2.gz CMLLTZLNJXOOSA-UHFFFAOYSA-N 0 0 439.511 2.822 50 0 IFAARN COc1ccc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000003254904 569443043 /nfs/dbraw/zinc/44/30/43/569443043.db2.gz OCYNTYSZOFDURV-RMKNXTFCSA-N 0 0 431.441 2.925 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O ZINC000003287374 569444170 /nfs/dbraw/zinc/44/41/70/569444170.db2.gz CGXRVUIDAJDESQ-FQEVSTJZSA-N 0 0 431.395 2.890 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCN(Cc4ccc(F)cc4)C3)cc2C[C@@H]1C ZINC000057995530 569444388 /nfs/dbraw/zinc/44/43/88/569444388.db2.gz AOYSLHSEQFGXHV-INIZCTEOSA-N 0 0 431.533 2.977 50 0 IFAARN COC(=O)C[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccc(Br)c1 ZINC000058003273 569444529 /nfs/dbraw/zinc/44/45/29/569444529.db2.gz RCOPWWCHUHBVBK-QGZVFWFLSA-N 0 0 437.334 2.818 50 0 IFAARN CC(C)[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000003293586 569444554 /nfs/dbraw/zinc/44/45/54/569444554.db2.gz QKIYZNJRXYEKLW-KRWDZBQOSA-N 0 0 432.542 2.809 50 0 IFAARN NC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)CC1 ZINC000003296411 569444718 /nfs/dbraw/zinc/44/47/18/569444718.db2.gz CVVAXHJNVOQXKM-UHFFFAOYSA-N 0 0 439.896 2.617 50 0 IFAARN CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CC[NH+](CC)CC2)cc1 ZINC000058009411 569444798 /nfs/dbraw/zinc/44/47/98/569444798.db2.gz AIZXCUHMVQEEKV-UHFFFAOYSA-N 0 0 433.530 2.726 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000003303896 569445173 /nfs/dbraw/zinc/44/51/73/569445173.db2.gz CNHDYHVUCAHPPK-HNNXBMFYSA-N 0 0 448.566 2.670 50 0 IFAARN Cc1ccc(CNC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000003316569 569445765 /nfs/dbraw/zinc/44/57/65/569445765.db2.gz RKTOLLTVKTUPGW-UHFFFAOYSA-N 0 0 444.553 2.951 50 0 IFAARN CC(C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl ZINC000003319337 569445864 /nfs/dbraw/zinc/44/58/64/569445864.db2.gz WQVQMJLDUIMQPX-UHFFFAOYSA-N 0 0 442.896 2.986 50 0 IFAARN CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)sc2c1CC[C@H](C)C2 ZINC000003326991 569446243 /nfs/dbraw/zinc/44/62/43/569446243.db2.gz WXJYUCQYMSFPIO-LBPRGKRZSA-N 0 0 433.530 2.853 50 0 IFAARN COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c1 ZINC000058064363 569446443 /nfs/dbraw/zinc/44/64/43/569446443.db2.gz DIIJVSROLLYAQD-IBGZPJMESA-N 0 0 432.542 2.906 50 0 IFAARN Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCN1CCN(c3ccccc3F)CC1)CO2 ZINC000058065057 569446464 /nfs/dbraw/zinc/44/64/64/569446464.db2.gz WWJXHGXJMRONLB-UHFFFAOYSA-N 0 0 449.530 2.828 50 0 IFAARN Cc1nc(SCC(=O)NCCC2=CCCCC2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000003332724 569446533 /nfs/dbraw/zinc/44/65/33/569446533.db2.gz GYNJFYMVEGYYSI-UHFFFAOYSA-N 0 0 445.589 2.553 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCc1cccc(C(F)(F)F)c1 ZINC000003351850 569447416 /nfs/dbraw/zinc/44/74/16/569447416.db2.gz FHHMSUSOMFNUOQ-UHFFFAOYSA-N 0 0 448.488 2.647 50 0 IFAARN COC(=O)C[C@@H](NC(=O)Cn1c2ccccc2n(C)c1=O)c1cccc(Br)c1 ZINC000058113336 569447874 /nfs/dbraw/zinc/44/78/74/569447874.db2.gz NBEMLWLZENFCCD-OAHLLOKOSA-N 0 0 446.301 2.523 50 0 IFAARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 ZINC000003365939 569448169 /nfs/dbraw/zinc/44/81/69/569448169.db2.gz XRSSYSNTWKYIAL-UHFFFAOYSA-N 0 0 427.413 2.646 50 0 IFAARN Cc1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2n1 ZINC000003366647 569448177 /nfs/dbraw/zinc/44/81/77/569448177.db2.gz YPRRPROORZJEAH-UHFFFAOYSA-N 0 0 427.482 2.589 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000003368210 569448197 /nfs/dbraw/zinc/44/81/97/569448197.db2.gz KKGRIPVNVCATTC-UHFFFAOYSA-N 0 0 427.448 2.576 50 0 IFAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c1 ZINC000003380627 569448778 /nfs/dbraw/zinc/44/87/78/569448778.db2.gz JQPNIPDVOQZZBX-UHFFFAOYSA-N 0 0 432.498 2.827 50 0 IFAARN CON(C)C(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000058172396 569449676 /nfs/dbraw/zinc/44/96/76/569449676.db2.gz WUMNTZGMBKZQFW-UHFFFAOYSA-N 0 0 443.481 2.644 50 0 IFAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nc(N)n[nH]2)nc1C ZINC000003411573 569450090 /nfs/dbraw/zinc/45/00/90/569450090.db2.gz ICKXZFLRVVQVCW-UHFFFAOYSA-N 0 0 432.531 2.654 50 0 IFAARN Cc1c(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000003435611 569451017 /nfs/dbraw/zinc/45/10/17/569451017.db2.gz BOCSRAHWAKOMHQ-UHFFFAOYSA-N 0 0 439.443 2.768 50 0 IFAARN NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000003442480 569451284 /nfs/dbraw/zinc/45/12/84/569451284.db2.gz KIWXWYHVRCKKTE-UHFFFAOYSA-N 0 0 442.868 2.527 50 0 IFAARN CC(C)c1ccc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000030958587 569451615 /nfs/dbraw/zinc/45/16/15/569451615.db2.gz NEFHARVNEXKPSL-UHFFFAOYSA-N 0 0 447.576 2.914 50 0 IFAARN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1cc(Cl)c(OC)c(OC)c1 ZINC000003451225 569451656 /nfs/dbraw/zinc/45/16/56/569451656.db2.gz RDCNEVUSDBMQJK-UHFFFAOYSA-N 0 0 443.861 2.931 50 0 IFAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003456113 569451800 /nfs/dbraw/zinc/45/18/00/569451800.db2.gz VIFWGSIQIBHXHP-UHFFFAOYSA-N 0 0 429.498 2.798 50 0 IFAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cn2)CC1=O ZINC000030974076 569451910 /nfs/dbraw/zinc/45/19/10/569451910.db2.gz SDKCEVHHRMAVFZ-AWEZNQCLSA-N 0 0 430.892 2.572 50 0 IFAARN CC(C)[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1nc(-c2cccnc2)no1 ZINC000058268101 569452109 /nfs/dbraw/zinc/45/21/09/569452109.db2.gz NVWKMEPNBNYBJO-SFHVURJKSA-N 0 0 441.513 2.799 50 0 IFAARN CCCCn1nc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)ccc1=O ZINC000031005542 569452334 /nfs/dbraw/zinc/45/23/34/569452334.db2.gz WETJHVPEQGPXNQ-UHFFFAOYSA-N 0 0 425.485 2.550 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000003515943 569453071 /nfs/dbraw/zinc/45/30/71/569453071.db2.gz ZZJVVWWWHGABEF-SECBINFHSA-N 0 0 447.296 2.833 50 0 IFAARN COc1ccc2c(CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)coc2c1 ZINC000003528639 569453350 /nfs/dbraw/zinc/45/33/50/569453350.db2.gz QHCOTSIXWRCRKZ-UHFFFAOYSA-N 0 0 442.516 2.761 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)nn1-c1ccccc1 ZINC000031137809 569453894 /nfs/dbraw/zinc/45/38/94/569453894.db2.gz SIDUJMFISVEJGX-INIZCTEOSA-N 0 0 443.467 2.584 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)nn1-c1ccccc1 ZINC000031137813 569453910 /nfs/dbraw/zinc/45/39/10/569453910.db2.gz SIDUJMFISVEJGX-MRXNPFEDSA-N 0 0 443.467 2.584 50 0 IFAARN COC(=O)c1sc(NC(=O)COc2nc(C)nc3ccccc32)c(C(=O)OC)c1C ZINC000003562868 569454077 /nfs/dbraw/zinc/45/40/77/569454077.db2.gz NSTDAYNTGBTROH-UHFFFAOYSA-N 0 0 429.454 2.899 50 0 IFAARN O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000031192578 569454628 /nfs/dbraw/zinc/45/46/28/569454628.db2.gz LZYHPIOSEGRGPJ-QGZVFWFLSA-N 0 0 429.517 2.724 50 0 IFAARN O=C(Cn1c(=S)[nH]nc1-c1cccs1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000031191512 569454648 /nfs/dbraw/zinc/45/46/48/569454648.db2.gz COSFDKYCKHIXJD-UHFFFAOYSA-N 0 0 431.518 2.793 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000003598083 569454765 /nfs/dbraw/zinc/45/47/65/569454765.db2.gz XXUMRTPVULVBIJ-FQEVSTJZSA-N 0 0 428.444 2.939 50 0 IFAARN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000031212841 569454836 /nfs/dbraw/zinc/45/48/36/569454836.db2.gz VIHGVKOKEYVCOT-INIZCTEOSA-N 0 0 435.977 2.825 50 0 IFAARN C[C@@H]1Oc2ccccc2N(CCC(=O)OCCCCN2C(=O)c3ccccc3C2=O)C1=O ZINC000031329925 569455961 /nfs/dbraw/zinc/45/59/61/569455961.db2.gz IGWLRPIBGBLONJ-INIZCTEOSA-N 0 0 436.464 2.810 50 0 IFAARN CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](C)c3cnn(-c4ccc(F)cc4)c3C)ccc21 ZINC000031562530 569456775 /nfs/dbraw/zinc/45/67/75/569456775.db2.gz XOWOQNDKBWTIMP-CYBMUJFWSA-N 0 0 435.459 2.834 50 0 IFAARN C[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000031699988 569457073 /nfs/dbraw/zinc/45/70/73/569457073.db2.gz GSBREPFDOXFXCF-CQSZACIVSA-N 0 0 425.348 2.990 50 0 IFAARN CCOC(=O)C1=C(CSc2nc(=O)c3ccsc3[nH]2)NC(=O)N[C@@H]1c1ccco1 ZINC000031780243 569457350 /nfs/dbraw/zinc/45/73/50/569457350.db2.gz IFUYIFLLIFGILH-CYBMUJFWSA-N 0 0 432.483 2.541 50 0 IFAARN CCOC(=O)C1=C(Cn2cccc(C(F)(F)F)c2=O)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000031815035 569457922 /nfs/dbraw/zinc/45/79/22/569457922.db2.gz OWGDSBZSKKQNGY-HNNXBMFYSA-N 0 0 425.363 2.640 50 0 IFAARN O=C([C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCN(Cc2ccccn2)CC1 ZINC000059037251 569458618 /nfs/dbraw/zinc/45/86/18/569458618.db2.gz HWLHUBMFFJGZSI-GOSISDBHSA-N 0 0 446.473 2.793 50 0 IFAARN COc1ccc(CCNc2ccc3nnc(CCC(=O)N4CCCCC4)n3n2)cc1OC ZINC000032070482 569459205 /nfs/dbraw/zinc/45/92/05/569459205.db2.gz HJDMODSOFIUBMP-UHFFFAOYSA-N 0 0 438.532 2.741 50 0 IFAARN CC[C@]1(C)Cc2nc3sc4c(ncn(CC(=O)NC[C@H]5CCCO5)c4=O)c3cc2CO1 ZINC000032074538 569459339 /nfs/dbraw/zinc/45/93/39/569459339.db2.gz GKBVDDIHZIJTGV-JLCFBVMHSA-N 0 0 442.541 2.543 50 0 IFAARN NC(=O)CN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3Cc2ccccc2Cl)C1=O ZINC000032074759 569459344 /nfs/dbraw/zinc/45/93/44/569459344.db2.gz HDXUGKTWPLTPDQ-QFIPXVFZSA-N 0 0 435.871 2.695 50 0 IFAARN CCc1c(C)sc2c1c1nc(-c3ccccc3)nn1c(=O)n2CC(=O)N1CCOCC1 ZINC000032074625 569459353 /nfs/dbraw/zinc/45/93/53/569459353.db2.gz BBUWQINPUQMPGG-UHFFFAOYSA-N 0 0 437.525 2.502 50 0 IFAARN NC(=O)CN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)c2ccc(F)cc21 ZINC000032074512 569459360 /nfs/dbraw/zinc/45/93/60/569459360.db2.gz OZZNOXKVXIMOJC-NRFANRHFSA-N 0 0 439.834 2.775 50 0 IFAARN CSCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nc(C)c(C)s1 ZINC000032094547 569459749 /nfs/dbraw/zinc/45/97/49/569459749.db2.gz RSVNRMFMUVXOQN-RDJZCZTQSA-N 0 0 446.598 2.989 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3ccc(C(F)(F)F)cc3)CC2=O)cc1 ZINC000032096528 569459875 /nfs/dbraw/zinc/45/98/75/569459875.db2.gz UYMKWUWQHLEDQR-ZDUSSCGKSA-N 0 0 435.402 2.822 50 0 IFAARN Cc1nc2ccccc2nc1N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(CO)cc32)CC1 ZINC000032102801 569460182 /nfs/dbraw/zinc/46/01/82/569460182.db2.gz DWLQQRGFWSLTMX-QFIPXVFZSA-N 0 0 431.496 2.860 50 0 IFAARN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(c4ncc(Br)cn4)CC3)c2c1 ZINC000032105923 569460245 /nfs/dbraw/zinc/46/02/45/569460245.db2.gz STRZKCDGNITYOP-KRWDZBQOSA-N 0 0 446.305 2.677 50 0 IFAARN Cc1c2ccc(OCC(=O)N3CCC[C@H]3C(N)=O)c(C)c2oc(=O)c1Cc1ccccc1 ZINC000032124158 569460395 /nfs/dbraw/zinc/46/03/95/569460395.db2.gz SCORYBLOSLYSHT-FQEVSTJZSA-N 0 0 434.492 2.856 50 0 IFAARN COc1cc(OC)c(OC)cc1CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000059274744 569460701 /nfs/dbraw/zinc/46/07/01/569460701.db2.gz XMGIYZITOKSVCU-UHFFFAOYSA-N 0 0 429.448 2.646 50 0 IFAARN C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC(=O)N3)C1=O ZINC000032328147 569461264 /nfs/dbraw/zinc/46/12/64/569461264.db2.gz BSVMJOPYGBURAG-JOCHJYFZSA-N 0 0 427.407 2.890 50 0 IFAARN COc1ccc(CC[C@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccccc3OC)C2=O)cc1 ZINC000008328251 569462575 /nfs/dbraw/zinc/46/25/75/569462575.db2.gz XHBUKHULSUYUMV-WNSKOXEYSA-N 0 0 425.485 2.974 50 0 IFAARN O=C(CSc1nnc(N2CCN(C(=O)c3cccs3)CC2)s1)NCc1ccco1 ZINC000038488235 569462976 /nfs/dbraw/zinc/46/29/76/569462976.db2.gz AKHJPLXNTJQZMD-UHFFFAOYSA-N 0 0 449.583 2.564 50 0 IFAARN CCCc1nnsc1C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000038561519 569464003 /nfs/dbraw/zinc/46/40/03/569464003.db2.gz QWBJHNHCGCSOEU-CYBMUJFWSA-N 0 0 428.605 2.915 50 0 IFAARN CCCc1nnsc1C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000038561516 569464038 /nfs/dbraw/zinc/46/40/38/569464038.db2.gz QWBJHNHCGCSOEU-ZDUSSCGKSA-N 0 0 428.605 2.915 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccco3)c2=O)cc1 ZINC000067197162 569464374 /nfs/dbraw/zinc/46/43/74/569464374.db2.gz URVJSWJOOOOZJV-UHFFFAOYSA-N 0 0 447.447 2.620 50 0 IFAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4cccc(C(C)C)c4)c(=O)c3s2)CC1 ZINC000067225970 569465217 /nfs/dbraw/zinc/46/52/17/569465217.db2.gz OWBSKEVUJKIJNC-UHFFFAOYSA-N 0 0 440.573 2.757 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)Nc4cc(OC)ccc4OC)c(=O)n3c(C)n2)cc1 ZINC000067226537 569465270 /nfs/dbraw/zinc/46/52/70/569465270.db2.gz MQIJIKVQSANFTC-UHFFFAOYSA-N 0 0 449.467 2.531 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)Nc4cc(F)ccc4F)c(=O)n3c(C)n2)cc1 ZINC000067226572 569465285 /nfs/dbraw/zinc/46/52/85/569465285.db2.gz ZRRSCQBXAOLVSF-UHFFFAOYSA-N 0 0 425.395 2.792 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)NCCCc4ccccc4)c(=O)n3c(C)n2)cc1 ZINC000067226582 569465313 /nfs/dbraw/zinc/46/53/13/569465313.db2.gz XMDXXJHDMOOXIH-UHFFFAOYSA-N 0 0 431.496 2.624 50 0 IFAARN COc1ccc(CNC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)cc1 ZINC000067255243 569466021 /nfs/dbraw/zinc/46/60/21/569466021.db2.gz NLZSORLEXRRSPA-UHFFFAOYSA-N 0 0 440.521 2.623 50 0 IFAARN O=C(c1nnn(-c2ccccc2Cl)c1-c1cccnc1)N1CCN(c2ncccn2)CC1 ZINC000067262597 569466686 /nfs/dbraw/zinc/46/66/86/569466686.db2.gz NAYZSKZYKJQILZ-UHFFFAOYSA-N 0 0 446.902 2.735 50 0 IFAARN COc1nn(C)cc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 ZINC000038693441 569466725 /nfs/dbraw/zinc/46/67/25/569466725.db2.gz JIHOBDXLMMKRQR-UHFFFAOYSA-N 0 0 444.488 2.962 50 0 IFAARN CCOC(=O)C1CCN(CC2=NC(=O)N[C@@H](c3ccc(CC)cc3)C2C(=O)OCC)CC1 ZINC000067286548 569467028 /nfs/dbraw/zinc/46/70/28/569467028.db2.gz QRSHHQMFOIMORK-NRFANRHFSA-N 0 0 443.544 2.695 50 0 IFAARN COc1cccc(CNC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(Cl)cc2)c1 ZINC000067300631 569468198 /nfs/dbraw/zinc/46/81/98/569468198.db2.gz NFIDFDBJVNHHES-UHFFFAOYSA-N 0 0 441.915 2.732 50 0 IFAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c1CCO ZINC000067301705 569468317 /nfs/dbraw/zinc/46/83/17/569468317.db2.gz FZTZJWIBMILFLS-UHFFFAOYSA-N 0 0 441.871 2.774 50 0 IFAARN CSc1nc2cc(C)n(CC(=O)NCc3ccc4c(c3)OCO4)c2c(=O)n1CC(C)C ZINC000067320066 569468559 /nfs/dbraw/zinc/46/85/59/569468559.db2.gz NFLVSZOEBJMIOD-UHFFFAOYSA-N 0 0 442.541 2.929 50 0 IFAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(OC)c2)c1C ZINC000067322915 569468708 /nfs/dbraw/zinc/46/87/08/569468708.db2.gz SZTPZYQWUWYLFH-UHFFFAOYSA-N 0 0 439.472 2.893 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)cc3F)c2C)cc1 ZINC000067322792 569468722 /nfs/dbraw/zinc/46/87/22/569468722.db2.gz UNNLCCOSIAIMTK-UHFFFAOYSA-N 0 0 429.383 2.542 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)cc1 ZINC000067323212 569468792 /nfs/dbraw/zinc/46/87/92/569468792.db2.gz CVWTYSGMZDKSKB-UHFFFAOYSA-N 0 0 443.410 2.932 50 0 IFAARN CCCN(C)C(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000067338421 569468926 /nfs/dbraw/zinc/46/89/26/569468926.db2.gz TZHPBRHFUGBQRP-UHFFFAOYSA-N 0 0 447.605 2.513 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc1 ZINC000067336811 569468935 /nfs/dbraw/zinc/46/89/35/569468935.db2.gz AILPCQUJHIJNJG-UHFFFAOYSA-N 0 0 440.431 2.558 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000038834808 569469226 /nfs/dbraw/zinc/46/92/26/569469226.db2.gz XRFJUBWSQDQXLE-GOSISDBHSA-N 0 0 440.905 2.913 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000038834807 569469240 /nfs/dbraw/zinc/46/92/40/569469240.db2.gz XRFJUBWSQDQXLE-SFHVURJKSA-N 0 0 440.905 2.913 50 0 IFAARN Cc1cc(Cl)cc2sc(N(C[C@H]3CCCO3)C(=O)CN(C)S(C)(=O)=O)nc21 ZINC000038840634 569469281 /nfs/dbraw/zinc/46/92/81/569469281.db2.gz HFUSPNIATVMDQW-CYBMUJFWSA-N 0 0 431.967 2.662 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)Nn1c(=O)c2ccccc2nc1-c1ccccc1F ZINC000008660864 569469717 /nfs/dbraw/zinc/46/97/17/569469717.db2.gz OWPQREDPEVZNQH-UHFFFAOYSA-N 0 0 442.406 2.569 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)cc1 ZINC000008704451 569470255 /nfs/dbraw/zinc/47/02/55/569470255.db2.gz DQSAZFCHOHYUOE-UHFFFAOYSA-N 0 0 432.567 2.976 50 0 IFAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008705672 569470416 /nfs/dbraw/zinc/47/04/16/569470416.db2.gz QKELIHXURWTIGY-UHFFFAOYSA-N 0 0 442.537 2.798 50 0 IFAARN O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008705771 569470440 /nfs/dbraw/zinc/47/04/40/569470440.db2.gz SHXCQPANOFCJKM-UHFFFAOYSA-N 0 0 441.553 2.828 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccccc1)=NN3Cc1ccccc1Cl ZINC000008706086 569470526 /nfs/dbraw/zinc/47/05/26/569470526.db2.gz ILSCRSRPCFWTTJ-UHFFFAOYSA-N 0 0 434.887 2.512 50 0 IFAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)cn1 ZINC000008706998 569470535 /nfs/dbraw/zinc/47/05/35/569470535.db2.gz DBWUVBDXEWKXDX-UHFFFAOYSA-N 0 0 441.465 2.550 50 0 IFAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCc2nc(N)c3ccccc3n2)C(C)C)c1 ZINC000008708062 569470621 /nfs/dbraw/zinc/47/06/21/569470621.db2.gz DPAYUBZPYBBEPZ-FQEVSTJZSA-N 0 0 438.484 2.727 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000008710552 569470947 /nfs/dbraw/zinc/47/09/47/569470947.db2.gz UVEQIYDFHNJMMV-UHFFFAOYSA-N 0 0 444.557 2.861 50 0 IFAARN O=C(c1cncc(Br)c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000008719342 569471374 /nfs/dbraw/zinc/47/13/74/569471374.db2.gz HFWXUHPBIYHPMH-IZZDOVSWSA-N 0 0 436.331 2.603 50 0 IFAARN CCc1cccc2c(C(=O)[C@H](c3ccccc3)n3cnc4c3c(=O)n(C)c(=O)n4C)c[nH]c21 ZINC000008719963 569471537 /nfs/dbraw/zinc/47/15/37/569471537.db2.gz GZKFFMLPUJTUSA-FQEVSTJZSA-N 0 0 441.491 2.950 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)N1CCC(c2ccccc2)=N1 ZINC000008720529 569471560 /nfs/dbraw/zinc/47/15/60/569471560.db2.gz LHGQXMJPQOJZOI-UHFFFAOYSA-N 0 0 444.582 2.985 50 0 IFAARN CCN(CC(=O)Nc1ccc(OC)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000008724739 569472095 /nfs/dbraw/zinc/47/20/95/569472095.db2.gz NHFOIYHKQFXJQB-UHFFFAOYSA-N 0 0 445.317 2.926 50 0 IFAARN Cc1c(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cccc1-n1cnnn1 ZINC000008729116 569472496 /nfs/dbraw/zinc/47/24/96/569472496.db2.gz XKCUOQPHRSJDKZ-UHFFFAOYSA-N 0 0 431.456 2.785 50 0 IFAARN Cc1nn(CC(=O)N[C@H](C)c2ccco2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000008735141 569472565 /nfs/dbraw/zinc/47/25/65/569472565.db2.gz VZVPDWXXROMXIB-CQSZACIVSA-N 0 0 428.514 2.722 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000008745172 569473004 /nfs/dbraw/zinc/47/30/04/569473004.db2.gz XMGQOIHFBIMAFN-UHFFFAOYSA-N 0 0 443.550 2.889 50 0 IFAARN CC(C)Oc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000008749033 569473214 /nfs/dbraw/zinc/47/32/14/569473214.db2.gz UHAOGKVABGFUIW-UHFFFAOYSA-N 0 0 439.512 2.787 50 0 IFAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 ZINC000008753426 569473703 /nfs/dbraw/zinc/47/37/03/569473703.db2.gz WMBRNBZZPWBXAM-VWLOTQADSA-N 0 0 448.523 2.891 50 0 IFAARN CCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2C)cc1 ZINC000008754926 569473897 /nfs/dbraw/zinc/47/38/97/569473897.db2.gz CKCBOMDTJUKYBP-CQSZACIVSA-N 0 0 441.575 2.556 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000008755840 569474036 /nfs/dbraw/zinc/47/40/36/569474036.db2.gz UWJQCPMQMOLTMB-UHFFFAOYSA-N 0 0 434.514 2.677 50 0 IFAARN Cn1c2ccc(S(=O)(=O)N(Cc3ccccc3)C(=O)c3cccs3)cc2n(C)c1=O ZINC000008763799 569474500 /nfs/dbraw/zinc/47/45/00/569474500.db2.gz JPMCNSSQEDLHBE-UHFFFAOYSA-N 0 0 441.534 2.970 50 0 IFAARN O=c1c2sc3c(=O)n(Cc4ccccc4)c(=O)c3sc2c(=O)n1Cc1ccccc1 ZINC000008763868 569474518 /nfs/dbraw/zinc/47/45/18/569474518.db2.gz PYDRUJMNUPYFNM-UHFFFAOYSA-N 0 0 434.498 2.694 50 0 IFAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCc3nc(-c4ccccc4)no3)cc2O1 ZINC000008764964 569474666 /nfs/dbraw/zinc/47/46/66/569474666.db2.gz YGFWEWXMMJKHFO-UHFFFAOYSA-N 0 0 437.452 2.924 50 0 IFAARN O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCOCC1)c1ccc(F)cc1 ZINC000008770560 569475125 /nfs/dbraw/zinc/47/51/25/569475125.db2.gz CIGZQPOERWEGQW-NMWGTECJSA-N 0 0 446.891 2.940 50 0 IFAARN O=C(c1ccc(N2CCN(C3=CC(=O)N(c4ccccc4)C3=O)CC2)cc1)c1cccnc1 ZINC000008771814 569475229 /nfs/dbraw/zinc/47/52/29/569475229.db2.gz CNKFCRLMNWSWAO-UHFFFAOYSA-N 0 0 438.487 2.892 50 0 IFAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCCN4CCCC4=O)c12)OC(C)(C)CC3 ZINC000008791509 569476196 /nfs/dbraw/zinc/47/61/96/569476196.db2.gz VQVCZXBGWMRALG-UHFFFAOYSA-N 0 0 442.512 2.713 50 0 IFAARN CCOC(=O)CNC(=O)CSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 ZINC000008822886 569477109 /nfs/dbraw/zinc/47/71/09/569477109.db2.gz ZPVDSCHBHCNSKK-UHFFFAOYSA-N 0 0 448.448 2.581 50 0 IFAARN COc1ccc(C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)c(F)c1 ZINC000008824875 569477255 /nfs/dbraw/zinc/47/72/55/569477255.db2.gz CKAAFJMXAUFRTP-UHFFFAOYSA-N 0 0 438.209 2.562 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000008825794 569477470 /nfs/dbraw/zinc/47/74/70/569477470.db2.gz KDVJUVDQYRHAQA-INIZCTEOSA-N 0 0 449.573 2.599 50 0 IFAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(S(=O)(=O)CC)CC3)cc1C ZINC000008840392 569478287 /nfs/dbraw/zinc/47/82/87/569478287.db2.gz KOWWMAFDFMHHFC-UHFFFAOYSA-N 0 0 438.571 2.902 50 0 IFAARN CCCOC(=O)c1cccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)c1 ZINC000008844170 569478612 /nfs/dbraw/zinc/47/86/12/569478612.db2.gz YFSSFPSYKMJQCC-UHFFFAOYSA-N 0 0 426.498 2.937 50 0 IFAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000008848477 569479124 /nfs/dbraw/zinc/47/91/24/569479124.db2.gz JUJMTSUZJRWEGN-UHFFFAOYSA-N 0 0 437.481 2.674 50 0 IFAARN CN(CCOc1ccccc1F)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008849791 569479276 /nfs/dbraw/zinc/47/92/76/569479276.db2.gz QDQPFXXUMAOOBD-UHFFFAOYSA-N 0 0 435.521 2.560 50 0 IFAARN Cc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000039700147 569481845 /nfs/dbraw/zinc/48/18/45/569481845.db2.gz BDSRRGMDHVZPLG-UHFFFAOYSA-N 0 0 444.538 2.787 50 0 IFAARN Cc1ccc(-n2cc(C(=O)OCC(=O)N(C)CC(=O)NC3CC3)c(-c3ccccc3)n2)cc1 ZINC000039982375 569482251 /nfs/dbraw/zinc/48/22/51/569482251.db2.gz YUFVRUNXFDSNJF-UHFFFAOYSA-N 0 0 446.507 2.742 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 ZINC000039996300 569482398 /nfs/dbraw/zinc/48/23/98/569482398.db2.gz NWPGTCFWKGULJL-CYBMUJFWSA-N 0 0 429.404 2.612 50 0 IFAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)[C@@H]2c2cccs2)cc1 ZINC000039998361 569482447 /nfs/dbraw/zinc/48/24/47/569482447.db2.gz FETRFZDGWQDFIA-OXFYSEKESA-N 0 0 432.567 2.844 50 0 IFAARN CNc1snc(C)c1C(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000040024300 569482752 /nfs/dbraw/zinc/48/27/52/569482752.db2.gz LBRPSSKEEBPSAH-UHFFFAOYSA-N 0 0 444.435 2.766 50 0 IFAARN O=S(=O)(NC1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1)c1cccs1 ZINC000040025171 569482804 /nfs/dbraw/zinc/48/28/04/569482804.db2.gz RUSCDJLFKMFITG-UHFFFAOYSA-N 0 0 440.554 2.824 50 0 IFAARN CCOC(=O)Nc1ccc2c(COC(=O)c3nn(C)c(=O)c4ccccc43)cc(=O)oc2c1 ZINC000008882906 569482979 /nfs/dbraw/zinc/48/29/79/569482979.db2.gz KTFLQMMPAOAEKP-UHFFFAOYSA-N 0 0 449.419 2.965 50 0 IFAARN CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC000008887279 569483226 /nfs/dbraw/zinc/48/32/26/569483226.db2.gz MQEVDKHHXFBVLY-VWLOTQADSA-N 0 0 444.491 2.947 50 0 IFAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)N4CCOCC4)cc3)ccc12 ZINC000008888429 569483266 /nfs/dbraw/zinc/48/32/66/569483266.db2.gz RROWEGJCTVHHKL-UHFFFAOYSA-N 0 0 437.448 2.696 50 0 IFAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)ccc2c1 ZINC000008891067 569483330 /nfs/dbraw/zinc/48/33/30/569483330.db2.gz WACLVABZCFWLAA-XMMPIXPASA-N 0 0 447.447 2.983 50 0 IFAARN O=C1C(=O)N(Cc2nnc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccco1 ZINC000008895038 569483762 /nfs/dbraw/zinc/48/37/62/569483762.db2.gz JWRWCAQXSIRRQG-UHFFFAOYSA-N 0 0 431.202 2.583 50 0 IFAARN Cc1nnc(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)n1C1CCCCC1 ZINC000008896383 569483941 /nfs/dbraw/zinc/48/39/41/569483941.db2.gz ONPPAXSVBGWVJI-UHFFFAOYSA-N 0 0 434.566 2.716 50 0 IFAARN O=C(CCOc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000040069599 569485356 /nfs/dbraw/zinc/48/53/56/569485356.db2.gz NIWXOVGFHYFHGE-UHFFFAOYSA-N 0 0 432.926 2.843 50 0 IFAARN CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000040069468 569485395 /nfs/dbraw/zinc/48/53/95/569485395.db2.gz VFBDIRKKCWYUQU-HSZRJFAPSA-N 0 0 436.556 2.949 50 0 IFAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008917279 569485973 /nfs/dbraw/zinc/48/59/73/569485973.db2.gz JYXREXTYYPOUDU-KUHUBIRLSA-N 0 0 425.462 2.534 50 0 IFAARN Cn1c(OCc2cccnc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C ZINC000008926312 569487228 /nfs/dbraw/zinc/48/72/28/569487228.db2.gz HZFCRFFHGBPIHO-UHFFFAOYSA-N 0 0 446.294 2.763 50 0 IFAARN COc1ccc(OC)c2c1CN(CN1C(=O)[C@H](C)N(c3ccc(C)cc3)C1=O)C[C@H]2O ZINC000040091161 569487436 /nfs/dbraw/zinc/48/74/36/569487436.db2.gz ZZOBLQWYPSUENP-MAUKXSAKSA-N 0 0 425.485 2.676 50 0 IFAARN O=C(c1cc(-c2ccccc2)no1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000040090252 569487441 /nfs/dbraw/zinc/48/74/41/569487441.db2.gz LCSPRRHFAUWCFY-UHFFFAOYSA-N 0 0 433.436 2.767 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3nn4c(nc(C)cc4=O)s3)C2)cc1Cl ZINC000008933788 569487877 /nfs/dbraw/zinc/48/78/77/569487877.db2.gz BUUDQXSNRZOOTA-GFCCVEGCSA-N 0 0 433.921 2.977 50 0 IFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 ZINC000008940014 569488251 /nfs/dbraw/zinc/48/82/51/569488251.db2.gz JLVRPPDFDPHHFA-CPJSRVTESA-N 0 0 449.507 2.761 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 ZINC000008940020 569488295 /nfs/dbraw/zinc/48/82/95/569488295.db2.gz JLVRPPDFDPHHFA-NLFFAJNJSA-N 0 0 449.507 2.761 50 0 IFAARN COc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1 ZINC000008941675 569488615 /nfs/dbraw/zinc/48/86/15/569488615.db2.gz MLLQTUJWPQYWNV-UHFFFAOYSA-N 0 0 444.962 2.703 50 0 IFAARN CSc1nc2c(cnn2CCNC(=O)c2cc(=O)c3ccccc3o2)c(NC(C)C)n1 ZINC000008942075 569488665 /nfs/dbraw/zinc/48/86/65/569488665.db2.gz WNFDBYKLYBHMIL-UHFFFAOYSA-N 0 0 438.513 2.905 50 0 IFAARN CSc1nc2c(cnn2CCNC(=O)COc2ccc(F)cc2)c(NCC(C)C)n1 ZINC000008942776 569488736 /nfs/dbraw/zinc/48/87/36/569488736.db2.gz IRCWYSIKEIGSDZ-UHFFFAOYSA-N 0 0 432.525 2.950 50 0 IFAARN O=C(NCc1ccnc(Oc2ccccc2)c1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000040110600 569488741 /nfs/dbraw/zinc/48/87/41/569488741.db2.gz VONVBHPBAPJDCX-UHFFFAOYSA-N 0 0 429.484 2.844 50 0 IFAARN CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)o1 ZINC000040111858 569488883 /nfs/dbraw/zinc/48/88/83/569488883.db2.gz KOLPSAVSAOBFRU-UHFFFAOYSA-N 0 0 447.444 2.840 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1C ZINC000008944377 569488932 /nfs/dbraw/zinc/48/89/32/569488932.db2.gz ORBZOEKOOQGOTM-INIZCTEOSA-N 0 0 443.500 2.759 50 0 IFAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000008944436 569488934 /nfs/dbraw/zinc/48/89/34/569488934.db2.gz ICBLDBUWFBKEJA-HOTGVXAUSA-N 0 0 447.532 2.636 50 0 IFAARN COc1ccc(CC(=O)NCCn2ncc3c2nc(SC)nc3N2CCCC2)cc1 ZINC000008946769 569489095 /nfs/dbraw/zinc/48/90/95/569489095.db2.gz YMTPTMFPUQYDHV-UHFFFAOYSA-N 0 0 426.546 2.516 50 0 IFAARN O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1cccnc1OCc1ccccc1 ZINC000040121609 569489605 /nfs/dbraw/zinc/48/96/05/569489605.db2.gz MMDXHUIIVMHMSN-UHFFFAOYSA-N 0 0 436.512 2.922 50 0 IFAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1 ZINC000040129255 569489800 /nfs/dbraw/zinc/48/98/00/569489800.db2.gz QCCXIJGUEKHJPX-HNNXBMFYSA-N 0 0 429.970 2.567 50 0 IFAARN Cc1nc2ccc(S(=O)(=O)NCCn3nc(-c4cccs4)ccc3=O)cc2s1 ZINC000008954924 569490063 /nfs/dbraw/zinc/49/00/63/569490063.db2.gz RGYADWCPTZCZHL-UHFFFAOYSA-N 0 0 432.552 2.868 50 0 IFAARN O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000008954932 569490088 /nfs/dbraw/zinc/49/00/88/569490088.db2.gz DWTLBWKUEOIZCU-UHFFFAOYSA-N 0 0 429.445 2.969 50 0 IFAARN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NCc1nnc2ccccn21 ZINC000040143928 569491924 /nfs/dbraw/zinc/49/19/24/569491924.db2.gz NQMAFWUIRSCBRE-UHFFFAOYSA-N 0 0 429.406 2.805 50 0 IFAARN Cn1c(=O)n(C)n(-c2ccc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)cc2)c1=O ZINC000040146617 569492264 /nfs/dbraw/zinc/49/22/64/569492264.db2.gz SZISXYMDIIONQK-JOCHJYFZSA-N 0 0 428.492 2.589 50 0 IFAARN C[C@@]1(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCS(=O)(=O)C1 ZINC000069084670 569492316 /nfs/dbraw/zinc/49/23/16/569492316.db2.gz MHHHRCUBLQJJSF-GHTZIAJQSA-N 0 0 434.945 2.895 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2F)cc1 ZINC000040146719 569492317 /nfs/dbraw/zinc/49/23/17/569492317.db2.gz RCTAVYHVAHYGLK-LJQANCHMSA-N 0 0 431.439 2.723 50 0 IFAARN Cc1cccc(NC(=O)C2CCN(CN3C(=O)NC4(C3=O)[C@@H](C)CCC[C@@H]4C)CC2)n1 ZINC000040149138 569492406 /nfs/dbraw/zinc/49/24/06/569492406.db2.gz YYGPCWIFYJFTGJ-HOTGVXAUSA-N 0 0 427.549 2.745 50 0 IFAARN COc1ccc(NC(=O)NC(=O)CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000040149616 569492537 /nfs/dbraw/zinc/49/25/37/569492537.db2.gz AKJYNLNFWOUZGY-AWEZNQCLSA-N 0 0 445.907 2.742 50 0 IFAARN COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 ZINC000040149792 569492672 /nfs/dbraw/zinc/49/26/72/569492672.db2.gz NATZWEPUCSOKKP-GOSISDBHSA-N 0 0 436.917 2.769 50 0 IFAARN CCCn1nc(C(=O)N2CCC(C(=O)Nc3nccs3)CC2)c2ccccc2c1=O ZINC000040150270 569493144 /nfs/dbraw/zinc/49/31/44/569493144.db2.gz IKYNXUGYVNPEGM-UHFFFAOYSA-N 0 0 425.514 2.754 50 0 IFAARN COC(=O)c1cn([C@H]2CCCC[C@@H]2NC(=O)c2sc(NC(=O)C3CC3)cc2C)nn1 ZINC000040152710 569493491 /nfs/dbraw/zinc/49/34/91/569493491.db2.gz ASZIXOMBHPJYBW-ZFWWWQNUSA-N 0 0 431.518 2.697 50 0 IFAARN CC1=NN(c2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)cc2)CC1 ZINC000040154161 569493769 /nfs/dbraw/zinc/49/37/69/569493769.db2.gz BRPWVTYJPQVOOF-UHFFFAOYSA-N 0 0 444.532 2.995 50 0 IFAARN O=C(CCS(=O)(=O)C1CCCC1)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000040154587 569493786 /nfs/dbraw/zinc/49/37/86/569493786.db2.gz LYPMZGCMMRKMMT-UHFFFAOYSA-N 0 0 425.526 2.686 50 0 IFAARN O=C(CCC(=O)N1CCc2sccc2C1)N1CCN(CCOc2ccccc2)CC1 ZINC000040156682 569494165 /nfs/dbraw/zinc/49/41/65/569494165.db2.gz HWQAFKVAGUNQNS-UHFFFAOYSA-N 0 0 427.570 2.636 50 0 IFAARN CCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1)C(C)C ZINC000040157855 569494364 /nfs/dbraw/zinc/49/43/64/569494364.db2.gz LZSTXXAFJPVNNB-UHFFFAOYSA-N 0 0 448.541 2.934 50 0 IFAARN COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000040157724 569494365 /nfs/dbraw/zinc/49/43/65/569494365.db2.gz OJHOXQXAWKKJGR-XUSGNXJCSA-N 0 0 427.482 2.647 50 0 IFAARN CC(C)(C)OC(=O)N1[C@H](CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)COC1(C)C ZINC000040157830 569494368 /nfs/dbraw/zinc/49/43/68/569494368.db2.gz RKVIBYRGJTUSHT-STQMWFEESA-N 0 0 447.579 2.511 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccn2)CC1 ZINC000040159416 569494686 /nfs/dbraw/zinc/49/46/86/569494686.db2.gz XTHYBPLMMMIITD-QGZVFWFLSA-N 0 0 436.343 2.887 50 0 IFAARN O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000008986938 569494888 /nfs/dbraw/zinc/49/48/88/569494888.db2.gz VYGASTSHNMCZQV-UHFFFAOYSA-N 0 0 430.917 2.672 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccccc1 ZINC000008994550 569495559 /nfs/dbraw/zinc/49/55/59/569495559.db2.gz MCCCOQGZFYLMJO-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccccn2)c1=O)Nc1cccc2ccccc21 ZINC000009001013 569495956 /nfs/dbraw/zinc/49/59/56/569495956.db2.gz JKZOBVUOKABFPB-UHFFFAOYSA-N 0 0 437.459 2.793 50 0 IFAARN CCc1cccc(CC)c1NC(=O)Cn1c2cccnc2c(=O)n(Cc2ccncc2)c1=O ZINC000009001546 569496017 /nfs/dbraw/zinc/49/60/17/569496017.db2.gz IKWROKDNXJJFGS-UHFFFAOYSA-N 0 0 443.507 2.765 50 0 IFAARN CC(C)Oc1ccc(C(=O)NCCn2ncc3c2ncn(Cc2cccc(F)c2)c3=O)cc1 ZINC000009016645 569496848 /nfs/dbraw/zinc/49/68/48/569496848.db2.gz STAMYJITNQZLMF-UHFFFAOYSA-N 0 0 449.486 2.998 50 0 IFAARN Cc1ccc(S(=O)(=O)n2c3ccccc3n(S(=O)(=O)c3ccc(C)cc3)c2=O)cc1 ZINC000009030592 569497050 /nfs/dbraw/zinc/49/70/50/569497050.db2.gz DVPDNHURCPEZBK-UHFFFAOYSA-N 0 0 442.518 2.894 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000009034031 569497230 /nfs/dbraw/zinc/49/72/30/569497230.db2.gz YVQDLJYUKHNMHC-YCRPNKLZSA-N 0 0 428.416 2.950 50 0 IFAARN COCc1nnc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)s1 ZINC000040266857 569497283 /nfs/dbraw/zinc/49/72/83/569497283.db2.gz QGJQWYYQDJKLOV-UHFFFAOYSA-N 0 0 425.561 2.978 50 0 IFAARN O=C1C[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CN1c1ccc(F)cc1 ZINC000009036326 569497318 /nfs/dbraw/zinc/49/73/18/569497318.db2.gz MXZZCVAGBDTRQI-GFCCVEGCSA-N 0 0 427.295 2.920 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)c3ccc4c(c3)CCN4C(C)=O)n2)cc1OC ZINC000040285738 569498054 /nfs/dbraw/zinc/49/80/54/569498054.db2.gz XZQOGPWKLUNDFJ-UHFFFAOYSA-N 0 0 433.464 2.719 50 0 IFAARN C[C@@H](CCc1ccco1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009053610 569498836 /nfs/dbraw/zinc/49/88/36/569498836.db2.gz LYMFNWDSFYKLDC-GJZGRUSLSA-N 0 0 448.570 2.823 50 0 IFAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2=O)cc1 ZINC000009056606 569499078 /nfs/dbraw/zinc/49/90/78/569499078.db2.gz HHWKMPIFKLZHTK-OAHLLOKOSA-N 0 0 435.480 2.747 50 0 IFAARN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(-n3cnnn3)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009056601 569499080 /nfs/dbraw/zinc/49/90/80/569499080.db2.gz ORMCEUQZDIQIJP-UNMCSNQZSA-N 0 0 434.500 2.999 50 0 IFAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000009058044 569499227 /nfs/dbraw/zinc/49/92/27/569499227.db2.gz WOWFIDSTCCGNFT-UHFFFAOYSA-N 0 0 431.905 2.576 50 0 IFAARN CCc1ccc(-n2c(-c3cccc(OC)c3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000009060248 569499394 /nfs/dbraw/zinc/49/93/94/569499394.db2.gz FOZCGKWZGSJAPQ-UHFFFAOYSA-N 0 0 429.480 2.914 50 0 IFAARN O=C(NCCCN1CCOCC1)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355934 569499865 /nfs/dbraw/zinc/49/98/65/569499865.db2.gz BZLJJNFYVDEKEG-UHFFFAOYSA-N 0 0 442.463 2.866 50 0 IFAARN C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000009070613 569500119 /nfs/dbraw/zinc/50/01/19/569500119.db2.gz VSDZQUZKNFIAQN-SECBINFHSA-N 0 0 426.416 2.954 50 0 IFAARN CCOc1ccc(-n2c(-c3ccc(OC)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000009087455 569500842 /nfs/dbraw/zinc/50/08/42/569500842.db2.gz QVWSPHUHEBKDGB-UHFFFAOYSA-N 0 0 445.479 2.750 50 0 IFAARN COc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2Cc2ccc(C)cc2)cc1 ZINC000009088024 569500855 /nfs/dbraw/zinc/50/08/55/569500855.db2.gz NWKWUKGUXYOYSF-UHFFFAOYSA-N 0 0 429.480 2.719 50 0 IFAARN COc1ccc(Br)cc1CNC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000009114983 569502615 /nfs/dbraw/zinc/50/26/15/569502615.db2.gz LTUUDUFJQBFVHO-UHFFFAOYSA-N 0 0 441.285 2.737 50 0 IFAARN COc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000009119215 569503433 /nfs/dbraw/zinc/50/34/33/569503433.db2.gz IUGSURPUBSRVIF-UHFFFAOYSA-N 0 0 443.569 2.867 50 0 IFAARN CN(C)C(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000069375873 569503476 /nfs/dbraw/zinc/50/34/76/569503476.db2.gz PIZUXBJAJKMZPK-KRWDZBQOSA-N 0 0 426.344 2.925 50 0 IFAARN O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000009119703 569503631 /nfs/dbraw/zinc/50/36/31/569503631.db2.gz WCHNLHUYQNUHIY-UHFFFAOYSA-N 0 0 440.411 2.893 50 0 IFAARN CCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nnc1-c1ccccc1 ZINC000009120604 569503889 /nfs/dbraw/zinc/50/38/89/569503889.db2.gz JJJLOSGAJUZLOZ-UHFFFAOYSA-N 0 0 445.570 2.946 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000009126445 569504943 /nfs/dbraw/zinc/50/49/43/569504943.db2.gz PBQWMFXDZLLWIW-QGZVFWFLSA-N 0 0 445.585 2.635 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccc2c(c1)CCC2 ZINC000009126825 569505017 /nfs/dbraw/zinc/50/50/17/569505017.db2.gz VYGPLFLQTVWOEO-UHFFFAOYSA-N 0 0 430.555 2.923 50 0 IFAARN C[C@H]1Cc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009127034 569505117 /nfs/dbraw/zinc/50/51/17/569505117.db2.gz CVINWXYRWXVYEL-INIZCTEOSA-N 0 0 433.961 2.624 50 0 IFAARN COc1ccc(CCN(C)C(=O)CSc2nnc(-c3cccc(F)c3)n2N)cc1OC ZINC000009127801 569505245 /nfs/dbraw/zinc/50/52/45/569505245.db2.gz QWOVIMVAYZQWND-UHFFFAOYSA-N 0 0 445.520 2.608 50 0 IFAARN Cc1cc(C)c(C(=O)OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000009129116 569505640 /nfs/dbraw/zinc/50/56/40/569505640.db2.gz QBJHAJUPDYZGKR-FQEVSTJZSA-N 0 0 429.538 2.985 50 0 IFAARN Cc1ccc(-n2ccc(=O)c(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)n2)cc1 ZINC000009129844 569505862 /nfs/dbraw/zinc/50/58/62/569505862.db2.gz UTZKKYJUVYCLHB-UHFFFAOYSA-N 0 0 440.506 2.806 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(CC(C)C)c2=O)cc1F ZINC000009129883 569505944 /nfs/dbraw/zinc/50/59/44/569505944.db2.gz SZHYSRMEABOFMY-UHFFFAOYSA-N 0 0 429.496 2.758 50 0 IFAARN CCOc1ccc(CCNC(=O)CN2CCn3nc(-c4ccc(OC)cc4)cc3C2=O)cc1 ZINC000040451162 569506451 /nfs/dbraw/zinc/50/64/51/569506451.db2.gz JJNHPDFKUXVIFV-UHFFFAOYSA-N 0 0 448.523 2.772 50 0 IFAARN CSc1nnnn1-c1cccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1 ZINC000069458974 569506607 /nfs/dbraw/zinc/50/66/07/569506607.db2.gz BDKBRBBEDUUDKO-GOSISDBHSA-N 0 0 425.518 2.992 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cccc(C(F)(F)F)c2)c1=O)Nc1ccccc1 ZINC000040477156 569506609 /nfs/dbraw/zinc/50/66/09/569506609.db2.gz BKVJRGPNCCWVEZ-UHFFFAOYSA-N 0 0 428.374 2.694 50 0 IFAARN CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)C1 ZINC000069460030 569506616 /nfs/dbraw/zinc/50/66/16/569506616.db2.gz UCCHDIOECLZSDC-CYBMUJFWSA-N 0 0 445.467 2.684 50 0 IFAARN CC(=O)c1cccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)c1 ZINC000040478002 569506651 /nfs/dbraw/zinc/50/66/51/569506651.db2.gz HPWZPWSRIHOZBA-UHFFFAOYSA-N 0 0 436.859 2.531 50 0 IFAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2ccc(C(C)C)cc2)c3=O)c1 ZINC000040478127 569506726 /nfs/dbraw/zinc/50/67/26/569506726.db2.gz WWWUSNHXZOYWIZ-UHFFFAOYSA-N 0 0 432.484 2.807 50 0 IFAARN Cc1cccc(Cl)c1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O ZINC000040478112 569506740 /nfs/dbraw/zinc/50/67/40/569506740.db2.gz IJBHELIRTDPRMG-UHFFFAOYSA-N 0 0 444.829 2.915 50 0 IFAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2cccc(Cl)c2C)c3=O)c1 ZINC000040478149 569506741 /nfs/dbraw/zinc/50/67/41/569506741.db2.gz PZJDJRGBWCLEFD-UHFFFAOYSA-N 0 0 438.875 2.645 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O)Nc1ccccc1C(F)(F)F ZINC000040478187 569506754 /nfs/dbraw/zinc/50/67/54/569506754.db2.gz JBOSSPACNNTLGY-UHFFFAOYSA-N 0 0 446.364 2.833 50 0 IFAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000009140452 569507250 /nfs/dbraw/zinc/50/72/50/569507250.db2.gz NJGLRGGNTIXLDN-NRFANRHFSA-N 0 0 440.452 2.694 50 0 IFAARN CCN(Cc1ccccc1)C(=O)C[C@@H](C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000009151832 569507623 /nfs/dbraw/zinc/50/76/23/569507623.db2.gz OZIWEIDEZPIGNP-MRXNPFEDSA-N 0 0 430.526 2.927 50 0 IFAARN COc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N)n2)c1 ZINC000009152150 569507714 /nfs/dbraw/zinc/50/77/14/569507714.db2.gz FXYAXPBGRUIMDD-UHFFFAOYSA-N 0 0 444.538 2.939 50 0 IFAARN COc1cccc(NS(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)c1 ZINC000009153146 569508047 /nfs/dbraw/zinc/50/80/47/569508047.db2.gz NJTPTCNIZWRJIA-UHFFFAOYSA-N 0 0 437.477 2.730 50 0 IFAARN COc1cc(Br)c(CC(=O)OCC(=O)NCCc2ccccc2)cc1OC ZINC000009154518 569508271 /nfs/dbraw/zinc/50/82/71/569508271.db2.gz PCNRAGQYBVVOFT-UHFFFAOYSA-N 0 0 436.302 2.911 50 0 IFAARN O=C(Nc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000009168279 569509166 /nfs/dbraw/zinc/50/91/66/569509166.db2.gz CHGOLNXNGIBMPQ-UHFFFAOYSA-N 0 0 430.461 2.915 50 0 IFAARN O=C([O-])[C@@H](NC(=O)C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1)c1ccccc1 ZINC000009170785 569509314 /nfs/dbraw/zinc/50/93/14/569509314.db2.gz OMGFTVGBYYGPHB-CUWPLCDZSA-N 0 0 443.931 2.624 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1OC ZINC000009171664 569509457 /nfs/dbraw/zinc/50/94/57/569509457.db2.gz BNNMIWVCBDLINX-CIQXWFTPSA-N 0 0 445.475 2.609 50 0 IFAARN CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3CC(=O)c2ccc(Cl)cc2)CO1 ZINC000009186410 569510184 /nfs/dbraw/zinc/51/01/84/569510184.db2.gz OQALIHCEGUOAMJ-UHFFFAOYSA-N 0 0 448.928 2.605 50 0 IFAARN COc1ccc(Cn2c(C)cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1 ZINC000009187450 569510320 /nfs/dbraw/zinc/51/03/20/569510320.db2.gz YZRWTTGSEVITBC-UHFFFAOYSA-N 0 0 443.507 2.757 50 0 IFAARN COC(=O)c1ccc2nc(NC(=O)CSc3nnnn3-c3ccccc3)sc2c1 ZINC000009203872 569511288 /nfs/dbraw/zinc/51/12/88/569511288.db2.gz CQWXEUWGAWLVLG-UHFFFAOYSA-N 0 0 426.483 2.789 50 0 IFAARN Cc1ccc(-n2cnnc2SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000009206211 569511331 /nfs/dbraw/zinc/51/13/31/569511331.db2.gz DRJLISHEXGZHKB-SFHVURJKSA-N 0 0 448.614 2.935 50 0 IFAARN COc1cc(NC(=O)Cn2nnc(-c3nc(-c4ccc(C)cc4)no3)c2N)cc(OC)c1 ZINC000009211580 569511825 /nfs/dbraw/zinc/51/18/25/569511825.db2.gz OXESFIJJUYDXSQ-UHFFFAOYSA-N 0 0 435.444 2.542 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc4c(c3)NC(=O)CS4)CC2)cc1 ZINC000009217586 569512332 /nfs/dbraw/zinc/51/23/32/569512332.db2.gz UNGYGVOKIZKHLP-UHFFFAOYSA-N 0 0 445.566 2.576 50 0 IFAARN COCc1c2ccccc2oc1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000009218407 569512357 /nfs/dbraw/zinc/51/23/57/569512357.db2.gz YBNUIQDIUZOYFD-OAQYLSRUSA-N 0 0 436.464 2.704 50 0 IFAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009219049 569512418 /nfs/dbraw/zinc/51/24/18/569512418.db2.gz RBQHIMIQGNDOKG-NRFANRHFSA-N 0 0 431.558 2.804 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000009219362 569512464 /nfs/dbraw/zinc/51/24/64/569512464.db2.gz CTQPFDRYRBJWFI-UHFFFAOYSA-N 0 0 432.484 2.632 50 0 IFAARN COc1ccc(NC(=O)CN2CCCN(Cc3ccc(F)cc3)S2(=O)=O)cc1Cl ZINC000009224614 569513181 /nfs/dbraw/zinc/51/31/81/569513181.db2.gz WGFLWMAJCXEDGF-UHFFFAOYSA-N 0 0 441.912 2.879 50 0 IFAARN COc1ccc(NC(=O)CN2CCCN(Cc3ccccc3F)S2(=O)=O)cc1Cl ZINC000009224626 569513190 /nfs/dbraw/zinc/51/31/90/569513190.db2.gz PQPXQYQPIVSAIA-UHFFFAOYSA-N 0 0 441.912 2.879 50 0 IFAARN COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C ZINC000009243235 569514846 /nfs/dbraw/zinc/51/48/46/569514846.db2.gz MEFIVAWJOZPQKT-UHFFFAOYSA-N 0 0 431.496 2.722 50 0 IFAARN COc1ccccc1-n1c(C)cn2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C ZINC000009243781 569515044 /nfs/dbraw/zinc/51/50/44/569515044.db2.gz CWUVSGLYBVMUDJ-UHFFFAOYSA-N 0 0 433.443 2.643 50 0 IFAARN Cc1csc(=O)n1CCC(=O)OCC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000009244563 569515092 /nfs/dbraw/zinc/51/50/92/569515092.db2.gz CKPFNNGPDDHLGT-LBPRGKRZSA-N 0 0 427.320 2.791 50 0 IFAARN O=C(CSc1ccccc1C(=O)Nc1ccc(-n2cnnn2)cc1)NCc1ccco1 ZINC000009244691 569515149 /nfs/dbraw/zinc/51/51/49/569515149.db2.gz GCMSVPDLYGQOCO-UHFFFAOYSA-N 0 0 434.481 2.916 50 0 IFAARN Cc1nc(Cc2nnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)o2)cs1 ZINC000009245805 569515424 /nfs/dbraw/zinc/51/54/24/569515424.db2.gz HTKCKWYAQUEZDR-UHFFFAOYSA-N 0 0 447.498 2.637 50 0 IFAARN C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O ZINC000009245875 569515468 /nfs/dbraw/zinc/51/54/68/569515468.db2.gz IEJFZGCZQRILEX-OAQYLSRUSA-N 0 0 431.395 2.532 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@@H]4c2cccc(OC)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000009252712 569516024 /nfs/dbraw/zinc/51/60/24/569516024.db2.gz CBVNYEHHKTZPFY-HSZRJFAPSA-N 0 0 447.491 2.843 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000009253091 569516122 /nfs/dbraw/zinc/51/61/22/569516122.db2.gz OHPCXVQPVHRTGT-UHFFFAOYSA-N 0 0 430.404 2.524 50 0 IFAARN Cc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000009254513 569516385 /nfs/dbraw/zinc/51/63/85/569516385.db2.gz OWSKEMJTALABRJ-UHFFFAOYSA-N 0 0 438.496 2.869 50 0 IFAARN COCCCN1C(=O)c2ccc(C(=O)OCc3nnc(-c4cccs4)o3)cc2C1=O ZINC000009254931 569516465 /nfs/dbraw/zinc/51/64/65/569516465.db2.gz ULKWIROLRGWQLH-UHFFFAOYSA-N 0 0 427.438 2.788 50 0 IFAARN Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000009254932 569516474 /nfs/dbraw/zinc/51/64/74/569516474.db2.gz UBKVTKWUXWBOSP-UHFFFAOYSA-N 0 0 437.901 2.709 50 0 IFAARN Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCc2ccccc2C1 ZINC000009263099 569517073 /nfs/dbraw/zinc/51/70/73/569517073.db2.gz ZCCAMZYKLRZGPV-UHFFFAOYSA-N 0 0 439.516 2.561 50 0 IFAARN Cc1nnc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3)C(C)C)n2C)s1 ZINC000009263919 569517256 /nfs/dbraw/zinc/51/72/56/569517256.db2.gz QSARQUQLGNMCKF-HNNXBMFYSA-N 0 0 445.574 2.833 50 0 IFAARN C[C@H](Sc1nnc(CC(=O)Nc2ccccc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009264029 569517291 /nfs/dbraw/zinc/51/72/91/569517291.db2.gz XRSYWBVUSKVTIW-ZDUSSCGKSA-N 0 0 439.497 2.844 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(S[C@@H](C)C(=O)Nc2nc(C)cs2)n1C ZINC000009264065 569517318 /nfs/dbraw/zinc/51/73/18/569517318.db2.gz PWBZXKGMEGINKI-LBPRGKRZSA-N 0 0 446.558 2.889 50 0 IFAARN CCOC(=O)N1CCC(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)CC1 ZINC000009269239 569517546 /nfs/dbraw/zinc/51/75/46/569517546.db2.gz XQCMWEIVYYTEOT-UHFFFAOYSA-N 0 0 437.518 2.866 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3cc(C)cc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000009269351 569517658 /nfs/dbraw/zinc/51/76/58/569517658.db2.gz QLNGSRWZURGZTM-RTWAWAEBSA-N 0 0 441.553 2.912 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)CCC(=O)NCCc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000009273714 569518097 /nfs/dbraw/zinc/51/80/97/569518097.db2.gz IWPWZNNUWOTQIL-KRWDZBQOSA-N 0 0 440.565 2.897 50 0 IFAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCc1ccccn1)nc2C ZINC000009276730 569518449 /nfs/dbraw/zinc/51/84/49/569518449.db2.gz YMXKLCIRWMWXGQ-UHFFFAOYSA-N 0 0 430.512 2.999 50 0 IFAARN CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000009282977 569518796 /nfs/dbraw/zinc/51/87/96/569518796.db2.gz ROQROQVQOBJFNQ-UHFFFAOYSA-N 0 0 440.905 2.934 50 0 IFAARN O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCc1cn2ccccc2n1 ZINC000009284267 569519028 /nfs/dbraw/zinc/51/90/28/569519028.db2.gz VBWDEPLCNCWXAS-UHFFFAOYSA-N 0 0 427.404 2.765 50 0 IFAARN O=C(CSc1n[nH]c(=O)n1C[C@H]1CCCO1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000069808709 569519288 /nfs/dbraw/zinc/51/92/88/569519288.db2.gz CQQXUXKAPAMMCF-WOJBJXKFSA-N 0 0 438.553 2.943 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(Cc2cccc4ccccc42)c(=O)n3C)n1C[C@@H]1CCCO1 ZINC000009297191 569520502 /nfs/dbraw/zinc/52/05/02/569520502.db2.gz FRTPANRJIXXEHC-IBGZPJMESA-N 0 0 443.507 2.838 50 0 IFAARN CCn1cc2nc(SCC(=O)NCc3ccco3)n(Cc3ccc(C)cc3)c(=O)c2n1 ZINC000009299757 569520552 /nfs/dbraw/zinc/52/05/52/569520552.db2.gz CGRKIVLWYPJJNG-UHFFFAOYSA-N 0 0 437.525 2.971 50 0 IFAARN COC(=O)C1CCN(C(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(OC)cc4)nc32)CC1 ZINC000009301156 569520698 /nfs/dbraw/zinc/52/06/98/569520698.db2.gz WIVULPUHGYOTSD-MRXNPFEDSA-N 0 0 443.525 2.845 50 0 IFAARN Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1nnc(C2CC2)s1 ZINC000009302579 569520825 /nfs/dbraw/zinc/52/08/25/569520825.db2.gz VJKJXYMYQFOZSJ-UHFFFAOYSA-N 0 0 447.521 2.595 50 0 IFAARN Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C ZINC000009302562 569520834 /nfs/dbraw/zinc/52/08/34/569520834.db2.gz DRRJMOYGARHGOU-UHFFFAOYSA-N 0 0 443.558 2.764 50 0 IFAARN COc1ccc([C@H]2CC(=C3C(=O)N(C)C(=O)N(C)C3=O)Nc3ccccc3N2)cc1OC ZINC000009303037 569520932 /nfs/dbraw/zinc/52/09/32/569520932.db2.gz UYJXIZLLJNGBQO-MRXNPFEDSA-N 0 0 436.468 2.977 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON=C(C4=Cc5ccccc5O[C@H]4C)C3=C2O)cc1 ZINC000009305772 569521270 /nfs/dbraw/zinc/52/12/70/569521270.db2.gz MMNWRIGYIGYZRW-JBZDTAIVSA-N 0 0 432.432 2.972 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000009306495 569521340 /nfs/dbraw/zinc/52/13/40/569521340.db2.gz MQXONOHBUYBROB-IBGZPJMESA-N 0 0 429.542 2.704 50 0 IFAARN Cc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)s1 ZINC000009317672 569522362 /nfs/dbraw/zinc/52/23/62/569522362.db2.gz QFGIYRCUSFDZMZ-CQSZACIVSA-N 0 0 435.571 2.846 50 0 IFAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCC[C@@H](C(=O)OCC)C1 ZINC000009327345 569522688 /nfs/dbraw/zinc/52/26/88/569522688.db2.gz HOMVOLFINOTHME-CQSZACIVSA-N 0 0 431.489 2.567 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)c1ccc3c(c1)OCCO3)CN(C(=O)OC)CC2 ZINC000009325134 569522704 /nfs/dbraw/zinc/52/27/04/569522704.db2.gz FYNMJHCGNZTRGB-UHFFFAOYSA-N 0 0 432.454 2.683 50 0 IFAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(C[C@@H]2c2nc(-c3cccnc3)no2)CC1 ZINC000069895172 569522972 /nfs/dbraw/zinc/52/29/72/569522972.db2.gz MTOGUPWGPFOHEP-CQSZACIVSA-N 0 0 448.936 2.785 50 0 IFAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000009336511 569523382 /nfs/dbraw/zinc/52/33/82/569523382.db2.gz XKYBYGYMXMCVOH-OAHLLOKOSA-N 0 0 436.917 2.693 50 0 IFAARN O=C(c1ccccc1Br)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009337831 569523566 /nfs/dbraw/zinc/52/35/66/569523566.db2.gz AHRUFVSYRRAZFJ-UHFFFAOYSA-N 0 0 427.295 2.735 50 0 IFAARN O=C(NCCCn1cnc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000009337979 569523608 /nfs/dbraw/zinc/52/36/08/569523608.db2.gz WZMWMRAMZNSGDU-INIZCTEOSA-N 0 0 432.571 2.705 50 0 IFAARN CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CSc1nnnn1-c1ccccc1Cl ZINC000009347977 569524312 /nfs/dbraw/zinc/52/43/12/569524312.db2.gz WMFRKEMZYXQJLB-UHFFFAOYSA-N 0 0 440.916 2.908 50 0 IFAARN Cc1ccc(-c2c3c(c4n2CCO[C@@H]4c2ccc4c(c2)OCO4)n(C)c(=O)n(C)c3=O)cc1 ZINC000009348848 569524585 /nfs/dbraw/zinc/52/45/85/569524585.db2.gz BPHZVWOEWQBJEM-HSZRJFAPSA-N 0 0 445.475 2.862 50 0 IFAARN CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 ZINC000009351769 569524880 /nfs/dbraw/zinc/52/48/80/569524880.db2.gz KQFSVUSHXCLNGP-AWEZNQCLSA-N 0 0 435.546 2.571 50 0 IFAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCCOC)c3nc4ccccc4nc32)cc1 ZINC000009353266 569524937 /nfs/dbraw/zinc/52/49/37/569524937.db2.gz OYCOGBCMLVWLMW-UHFFFAOYSA-N 0 0 433.468 2.709 50 0 IFAARN CCCCN(C(=O)CNc1ccc(C(F)(F)F)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000009368596 569526664 /nfs/dbraw/zinc/52/66/64/569526664.db2.gz WFVBTNZLKIGHKG-UHFFFAOYSA-N 0 0 441.454 2.793 50 0 IFAARN Cn1ncc2c1ncnc2N1CCC([C@H]2CCCCCN2C(=O)C2CCOCC2)CC1 ZINC000069981771 569526888 /nfs/dbraw/zinc/52/68/88/569526888.db2.gz QQXJXBYXZLPHSC-HXUWFJFHSA-N 0 0 426.565 2.778 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1ccc2c(c1)OCCO2 ZINC000009376046 569527290 /nfs/dbraw/zinc/52/72/90/569527290.db2.gz GVPBWWJAKNLWEI-UHFFFAOYSA-N 0 0 444.553 2.534 50 0 IFAARN CCC(=O)N(c1nnc(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)s1)C1CC1 ZINC000009376489 569527342 /nfs/dbraw/zinc/52/73/42/569527342.db2.gz GCLIZSOMMZXZKG-UHFFFAOYSA-N 0 0 433.559 2.983 50 0 IFAARN Cc1nn(CC(=O)N2c3ccccc3C[C@@H]2C)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000009376871 569527397 /nfs/dbraw/zinc/52/73/97/569527397.db2.gz WCIMXDGAYNOVMW-HNNXBMFYSA-N 0 0 442.541 2.891 50 0 IFAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009377196 569527444 /nfs/dbraw/zinc/52/74/44/569527444.db2.gz NDYFYTUKNMSUCR-ZDUSSCGKSA-N 0 0 427.482 2.794 50 0 IFAARN Cc1ccc(CN(C)C(=O)CSc2nnc(N3CCOCC3)n2Cc2ccccc2)o1 ZINC000009377432 569527446 /nfs/dbraw/zinc/52/74/46/569527446.db2.gz ZBBYRFMAZIPNOZ-UHFFFAOYSA-N 0 0 441.557 2.815 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000009377865 569527510 /nfs/dbraw/zinc/52/75/10/569527510.db2.gz OHNSUZOWEZMWQW-UHFFFAOYSA-N 0 0 426.502 2.684 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nc(CC(N)=O)cs3)c2)cc1 ZINC000009377639 569527526 /nfs/dbraw/zinc/52/75/26/569527526.db2.gz HAJJTCRZYNILFK-UHFFFAOYSA-N 0 0 444.538 2.841 50 0 IFAARN CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc(F)c1 ZINC000009380940 569528029 /nfs/dbraw/zinc/52/80/29/569528029.db2.gz LZFLVLKQKGDXEC-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NC1CCN(c2ccccn2)CC1 ZINC000070010605 569528058 /nfs/dbraw/zinc/52/80/58/569528058.db2.gz ZUJKLNLQHCXIQA-RUZDIDTESA-N 0 0 447.539 2.556 50 0 IFAARN O=c1cc(Cc2nnc(SCc3ccc(F)cc3)n2-c2ccc(F)cc2)[nH]c(=O)[nH]1 ZINC000009382052 569528208 /nfs/dbraw/zinc/52/82/08/569528208.db2.gz CDSMMFDJKDCLLF-UHFFFAOYSA-N 0 0 427.436 2.805 50 0 IFAARN O=c1cc(Cc2nnc(SCc3cccnc3)n2-c2ccc(Cl)cc2)[nH]c(=O)[nH]1 ZINC000009382103 569528252 /nfs/dbraw/zinc/52/82/52/569528252.db2.gz PRUMHHHOAXHVGT-UHFFFAOYSA-N 0 0 426.889 2.575 50 0 IFAARN O=C(COc1cccc(C(=O)NCc2ccccc2)c1)NC[C@@H]1COc2ccccc2O1 ZINC000009387910 569528521 /nfs/dbraw/zinc/52/85/21/569528521.db2.gz RFQCTMNMNQRCNQ-OAQYLSRUSA-N 0 0 432.476 2.952 50 0 IFAARN CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1F ZINC000009392340 569529099 /nfs/dbraw/zinc/52/90/99/569529099.db2.gz RDOPHQVGTPBUTE-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl)CS2 ZINC000009396677 569529191 /nfs/dbraw/zinc/52/91/91/569529191.db2.gz NNEYIJLAWHTXKL-RDTXWAMCSA-N 0 0 431.341 2.649 50 0 IFAARN CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1 ZINC000009396853 569529226 /nfs/dbraw/zinc/52/92/26/569529226.db2.gz JZFXWAPSZLBQBC-OAHLLOKOSA-N 0 0 429.542 2.806 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NCCC(C)C)CC3)cc2C[C@H]1C ZINC000009397011 569529237 /nfs/dbraw/zinc/52/92/37/569529237.db2.gz QYKIXBFMFCSASZ-MRXNPFEDSA-N 0 0 435.590 2.547 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000009396850 569529243 /nfs/dbraw/zinc/52/92/43/569529243.db2.gz PUIHODNHEBXUIL-OAHLLOKOSA-N 0 0 429.542 2.806 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3cc(C)cc(C)c3)cc2C[C@H]1C ZINC000009396896 569529261 /nfs/dbraw/zinc/52/92/61/569529261.db2.gz CLMZDRDOQOPNHW-MRXNPFEDSA-N 0 0 429.542 2.860 50 0 IFAARN CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000009396920 569529262 /nfs/dbraw/zinc/52/92/62/569529262.db2.gz IYBDVMKGFDKOSE-HNNXBMFYSA-N 0 0 445.541 2.642 50 0 IFAARN CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000009396900 569529263 /nfs/dbraw/zinc/52/92/63/569529263.db2.gz STJVNJAAENPEPG-AWEZNQCLSA-N 0 0 447.582 2.965 50 0 IFAARN Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)COc3ccc(F)cc3)s2)c1 ZINC000009405017 569529777 /nfs/dbraw/zinc/52/97/77/569529777.db2.gz NVXPOKWDWKHTNH-UHFFFAOYSA-N 0 0 436.490 2.828 50 0 IFAARN COc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)cn2C)c1 ZINC000009405435 569529895 /nfs/dbraw/zinc/52/98/95/569529895.db2.gz OCIXEJBKBMVGPW-UHFFFAOYSA-N 0 0 425.510 2.715 50 0 IFAARN COC(=O)c1cc2c(cc1NC(=O)c1sc3nc4n(c(=O)c3c1C)CCCC4)OCO2 ZINC000009405735 569529978 /nfs/dbraw/zinc/52/99/78/569529978.db2.gz GDRSHQSQAVCCHR-UHFFFAOYSA-N 0 0 441.465 2.870 50 0 IFAARN Cc1ccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)cc1C ZINC000009408087 569530435 /nfs/dbraw/zinc/53/04/35/569530435.db2.gz URHDKOUCUBUOFF-UHFFFAOYSA-N 0 0 429.498 2.635 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c(Cl)c1 ZINC000009408086 569530443 /nfs/dbraw/zinc/53/04/43/569530443.db2.gz FOSIMJWPTUMTEX-UHFFFAOYSA-N 0 0 449.916 2.980 50 0 IFAARN Cc1cccc(N(CC(=O)Nc2ccc(F)cc2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000009408204 569530488 /nfs/dbraw/zinc/53/04/88/569530488.db2.gz NXMWDCGLXBZRRH-QZTJIDSGSA-N 0 0 433.530 2.848 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)c(C)c1 ZINC000009408089 569530498 /nfs/dbraw/zinc/53/04/98/569530498.db2.gz BBHLQDYCYOABPC-UHFFFAOYSA-N 0 0 443.525 2.943 50 0 IFAARN Cc1ccc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c2ccccc2)cc1F ZINC000009408370 569530545 /nfs/dbraw/zinc/53/05/45/569530545.db2.gz XJDTWGXIOHLSRI-MSOLQXFVSA-N 0 0 433.530 2.848 50 0 IFAARN COc1ccccc1NC(=O)CN(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)c1ccccc1F ZINC000009408458 569530577 /nfs/dbraw/zinc/53/05/77/569530577.db2.gz ITMQWQMUWLGHGK-CRAIPNDOSA-N 0 0 449.529 2.548 50 0 IFAARN COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)c1 ZINC000009409662 569531108 /nfs/dbraw/zinc/53/11/08/569531108.db2.gz NLBUSGYDKDNNBP-BXWFABGCSA-N 0 0 442.365 2.947 50 0 IFAARN COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(CCc5ccccc5)C(=O)[C@H]24)O3)cc1OC ZINC000009410394 569531344 /nfs/dbraw/zinc/53/13/44/569531344.db2.gz WOVSHUFYFUOIMY-TVPUMLRDSA-N 0 0 434.492 2.667 50 0 IFAARN Cn1c(=O)c2sc3c(c2n(CC(=O)Nc2cccc(Cl)c2)c1=O)COC(C)(C)C3 ZINC000009410661 569531383 /nfs/dbraw/zinc/53/13/83/569531383.db2.gz WFSSMGFYNPYZJL-UHFFFAOYSA-N 0 0 433.917 2.905 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC)cc2OC)C[S@](=O)C3)cc1 ZINC000009413845 569531858 /nfs/dbraw/zinc/53/18/58/569531858.db2.gz DGDGRNRGEDCLTL-SSEXGKCCSA-N 0 0 427.482 2.913 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC)cc2OC)C[S@@](=O)C3)cc1 ZINC000009413848 569531904 /nfs/dbraw/zinc/53/19/04/569531904.db2.gz DGDGRNRGEDCLTL-PMERELPUSA-N 0 0 427.482 2.913 50 0 IFAARN CC(C)n1ncc2cc(NC(=O)[C@@H]3CCCN3C3=NS(=O)(=O)c4ccccc43)cnc21 ZINC000009415698 569532244 /nfs/dbraw/zinc/53/22/44/569532244.db2.gz LYMYROQEYBXLOS-KRWDZBQOSA-N 0 0 438.513 2.564 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 ZINC000009416457 569532321 /nfs/dbraw/zinc/53/23/21/569532321.db2.gz PEVQDTJYQKCGNH-UHFFFAOYSA-N 0 0 436.859 2.833 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1 ZINC000009416452 569532346 /nfs/dbraw/zinc/53/23/46/569532346.db2.gz KHSOGZQLLOWBQA-UHFFFAOYSA-N 0 0 436.859 2.833 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1 ZINC000009418435 569532409 /nfs/dbraw/zinc/53/24/09/569532409.db2.gz RPUDAMLERHQJSW-LPHOPBHVSA-N 0 0 429.542 2.923 50 0 IFAARN CN(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000009420742 569532736 /nfs/dbraw/zinc/53/27/36/569532736.db2.gz MBAYIVOBDPUSEO-AWEZNQCLSA-N 0 0 445.570 2.797 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CCCNc2nc(Cl)nc3nc[nH]c32)CC1 ZINC000009423431 569532937 /nfs/dbraw/zinc/53/29/37/569532937.db2.gz GXONITJQGUMZHY-UHFFFAOYSA-N 0 0 429.912 2.556 50 0 IFAARN Cc1c(N(Cc2cccc(Cl)c2)S(=O)(=O)N(C)C)c(=O)n(-c2ccccc2)n1C ZINC000009426055 569533244 /nfs/dbraw/zinc/53/32/44/569533244.db2.gz JFWAOXJUVGPTHA-UHFFFAOYSA-N 0 0 434.949 2.951 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)NCc3ccccc3)C(C)C)cc2C[C@@H]1C ZINC000009429254 569533661 /nfs/dbraw/zinc/53/36/61/569533661.db2.gz LUHUMGAGVRKHGA-AOMKIAJQSA-N 0 0 443.569 2.603 50 0 IFAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)NCc3ccc(OC)cc3)cc2NC1=O ZINC000009430047 569533836 /nfs/dbraw/zinc/53/38/36/569533836.db2.gz XLNNCIWVIDCBFM-SFHVURJKSA-N 0 0 448.566 2.998 50 0 IFAARN CCN(CC)c1ccc2nnc(CCC(=O)Nc3cc(OC)c(OC)c(OC)c3)n2n1 ZINC000009431048 569534102 /nfs/dbraw/zinc/53/41/02/569534102.db2.gz RKNVEYQNNAUNDG-UHFFFAOYSA-N 0 0 428.493 2.568 50 0 IFAARN Cn1c2nnc(CCCC(=O)NCCc3c[nH]c4ccccc34)n2c2ccsc2c1=O ZINC000009431323 569534127 /nfs/dbraw/zinc/53/41/27/569534127.db2.gz JTRSCXCRXZCXOE-UHFFFAOYSA-N 0 0 434.525 2.806 50 0 IFAARN Cc1cc(F)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000009432366 569534373 /nfs/dbraw/zinc/53/43/73/569534373.db2.gz BLVCDLPSQWGGPI-UHFFFAOYSA-N 0 0 447.488 2.504 50 0 IFAARN COc1ccc(-n2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3c2=O)cc1 ZINC000009433753 569534642 /nfs/dbraw/zinc/53/46/42/569534642.db2.gz XTOCYTYDQQOACO-UHFFFAOYSA-N 0 0 449.488 2.899 50 0 IFAARN Cn1c(=O)c2sc3c(c2n(CC(=O)Nc2ccc(Cl)cc2)c1=O)COC(C)(C)C3 ZINC000009435785 569534894 /nfs/dbraw/zinc/53/48/94/569534894.db2.gz JXPFHVAENBIINW-UHFFFAOYSA-N 0 0 433.917 2.905 50 0 IFAARN COc1cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc(OC)c1 ZINC000009440513 569535242 /nfs/dbraw/zinc/53/52/42/569535242.db2.gz ZXQAYXKZDSSOJZ-UHFFFAOYSA-N 0 0 436.511 2.551 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2cccc(OC(F)F)c2)c1 ZINC000009440506 569535283 /nfs/dbraw/zinc/53/52/83/569535283.db2.gz RIDLKHBCKBICDX-UHFFFAOYSA-N 0 0 437.351 2.657 50 0 IFAARN COc1ccccc1CNC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000009440855 569535290 /nfs/dbraw/zinc/53/52/90/569535290.db2.gz YCZVXRZSBPEWRC-ZDUSSCGKSA-N 0 0 434.539 2.608 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)n1cc(C(F)(F)F)ccc1=O ZINC000009441642 569535398 /nfs/dbraw/zinc/53/53/98/569535398.db2.gz YUVHDPPZWYMDNW-ZDUSSCGKSA-N 0 0 443.447 2.851 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cccs2)c1 ZINC000009447560 569535999 /nfs/dbraw/zinc/53/59/99/569535999.db2.gz VPRYFNYEYQXSDK-UHFFFAOYSA-N 0 0 429.523 2.942 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(C)CCc2ccc(OC)c(OC)c2)c1C ZINC000009447883 569536086 /nfs/dbraw/zinc/53/60/86/569536086.db2.gz ORWWESBJQOWRHU-UHFFFAOYSA-N 0 0 446.500 2.683 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CSc1nc2ccccc2o1 ZINC000009449037 569536198 /nfs/dbraw/zinc/53/61/98/569536198.db2.gz XBCOYURHTAPHSK-OAHLLOKOSA-N 0 0 448.570 2.751 50 0 IFAARN COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)CC2=O)cc1 ZINC000009452150 569536445 /nfs/dbraw/zinc/53/64/45/569536445.db2.gz OCXWVYMCAVPLDJ-ZJBJCVSYSA-N 0 0 435.524 2.747 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)[C@H](c3ccco3)C2)cc1 ZINC000009453839 569536651 /nfs/dbraw/zinc/53/66/51/569536651.db2.gz PYYXPPVCAWMTRU-FDDCHVKYSA-N 0 0 436.468 2.686 50 0 IFAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)c2)CC1 ZINC000009463749 569537531 /nfs/dbraw/zinc/53/75/31/569537531.db2.gz QPCHUEBTKYEOQG-HNNXBMFYSA-N 0 0 449.960 2.684 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1 ZINC000009464331 569537635 /nfs/dbraw/zinc/53/76/35/569537635.db2.gz MMOFKARGGLXBJW-UHFFFAOYSA-N 0 0 448.508 2.804 50 0 IFAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009464669 569537694 /nfs/dbraw/zinc/53/76/94/569537694.db2.gz AFZBTISHRGWZCR-AWEZNQCLSA-N 0 0 449.554 2.757 50 0 IFAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000009465058 569537837 /nfs/dbraw/zinc/53/78/37/569537837.db2.gz IPLZNXRIUDALMI-QHCPKHFHSA-N 0 0 438.487 2.747 50 0 IFAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000009465780 569538022 /nfs/dbraw/zinc/53/80/22/569538022.db2.gz FDGYLTAGJXDLEC-UHFFFAOYSA-N 0 0 437.258 2.940 50 0 IFAARN O=C(OCc1cc(=O)oc2cc(O)ccc12)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009465735 569538029 /nfs/dbraw/zinc/53/80/29/569538029.db2.gz GEOROLJZKROWHT-UHFFFAOYSA-N 0 0 443.477 2.643 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C2=O ZINC000009466251 569538145 /nfs/dbraw/zinc/53/81/45/569538145.db2.gz GVZZGDCZQMJZKV-UHFFFAOYSA-N 0 0 438.484 2.649 50 0 IFAARN CCCCn1c2nc(COC(=O)[C@@H](CC)Oc3ccccc3)n(CCC)c2c(=O)[nH]c1=O ZINC000009466383 569538150 /nfs/dbraw/zinc/53/81/50/569538150.db2.gz NDRFBPIYKZBNHO-QGZVFWFLSA-N 0 0 442.516 2.997 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc3c(c2)nnn3CC)cc1 ZINC000009467202 569538321 /nfs/dbraw/zinc/53/83/21/569538321.db2.gz QCGMBAUKWHPTGB-HNNXBMFYSA-N 0 0 429.546 2.973 50 0 IFAARN CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2[C@H](C)CC)NC(=O)N[C@@H]1C ZINC000009468183 569538585 /nfs/dbraw/zinc/53/85/85/569538585.db2.gz CKSMBSDUOSJSCC-CHWSQXEVSA-N 0 0 430.530 2.978 50 0 IFAARN COCCCn1c(C)cc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1C ZINC000009481653 569539481 /nfs/dbraw/zinc/53/94/81/569539481.db2.gz MIYNOUXLSZVDHH-NRFANRHFSA-N 0 0 436.512 2.969 50 0 IFAARN COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000009489329 569539948 /nfs/dbraw/zinc/53/99/48/569539948.db2.gz QHBCFJXRIWICHP-NSHDSACASA-N 0 0 426.878 2.871 50 0 IFAARN COc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)cc1OC ZINC000009490133 569540068 /nfs/dbraw/zinc/54/00/68/569540068.db2.gz FWWSKYRBAHOZPF-UHFFFAOYSA-N 0 0 437.481 2.857 50 0 IFAARN Cc1ccccc1-n1c(=O)c2c[nH]nc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009490046 569540151 /nfs/dbraw/zinc/54/01/51/569540151.db2.gz KDGCBKJZSUELAI-UHFFFAOYSA-N 0 0 449.492 2.919 50 0 IFAARN CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000009491492 569540417 /nfs/dbraw/zinc/54/04/17/569540417.db2.gz UPJJUVAPMMRMPD-UHFFFAOYSA-N 0 0 436.511 2.958 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000009492283 569540550 /nfs/dbraw/zinc/54/05/50/569540550.db2.gz WXMCOMQLZUNYCF-QGZVFWFLSA-N 0 0 434.514 2.756 50 0 IFAARN Cc1occc1-c1nnc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1 ZINC000009492673 569540645 /nfs/dbraw/zinc/54/06/45/569540645.db2.gz MWNSXLHRSXVIDN-INIZCTEOSA-N 0 0 446.554 2.573 50 0 IFAARN CSCC[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000009493134 569540692 /nfs/dbraw/zinc/54/06/92/569540692.db2.gz ZAOFOYZBBQVNPJ-FQEVSTJZSA-N 0 0 441.528 2.892 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccc4c(c3)OCO4)o1)CCC2 ZINC000009494973 569540983 /nfs/dbraw/zinc/54/09/83/569540983.db2.gz LWABTNJEVXETTN-UHFFFAOYSA-N 0 0 444.494 2.845 50 0 IFAARN Cc1c(C(=O)Nc2cccc(C)n2)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12 ZINC000009499004 569541421 /nfs/dbraw/zinc/54/14/21/569541421.db2.gz XZRIZLIBCHMHDF-UHFFFAOYSA-N 0 0 439.541 2.981 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)cc1 ZINC000009503300 569541800 /nfs/dbraw/zinc/54/18/00/569541800.db2.gz CFEWRKLMVBDEMC-UHFFFAOYSA-N 0 0 437.477 2.730 50 0 IFAARN CCc1noc(C)c1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009508440 569542323 /nfs/dbraw/zinc/54/23/23/569542323.db2.gz NBEBMYZXKIMZOX-UHFFFAOYSA-N 0 0 435.502 2.516 50 0 IFAARN CC(=O)c1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000009508690 569542367 /nfs/dbraw/zinc/54/23/67/569542367.db2.gz PHDUXWGPGZURFM-UHFFFAOYSA-N 0 0 448.516 2.720 50 0 IFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc2)C1 ZINC000009508978 569542483 /nfs/dbraw/zinc/54/24/83/569542483.db2.gz MBXDQUFQHXPZMD-HOTGVXAUSA-N 0 0 440.529 2.581 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009509500 569542605 /nfs/dbraw/zinc/54/26/05/569542605.db2.gz TXVAOAYRVPZBLL-VQIMIIECSA-N 0 0 436.574 2.944 50 0 IFAARN COC(=O)c1sc(NC(=O)COC(=O)CCc2ccc(OC)cc2)c(C(=O)OC)c1C ZINC000009511234 569542880 /nfs/dbraw/zinc/54/28/80/569542880.db2.gz TWFIMNOXECJREJ-UHFFFAOYSA-N 0 0 449.481 2.753 50 0 IFAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)c1c[nH]c2ccccc21 ZINC000009513275 569543115 /nfs/dbraw/zinc/54/31/15/569543115.db2.gz BYFWAHYGBNCDRA-CQSZACIVSA-N 0 0 431.539 2.947 50 0 IFAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000009514008 569543130 /nfs/dbraw/zinc/54/31/30/569543130.db2.gz DLLRKEQFVSKWKH-VWLOTQADSA-N 0 0 449.507 2.590 50 0 IFAARN COc1cccc(-c2nc(SCC(=O)c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000009517572 569543606 /nfs/dbraw/zinc/54/36/06/569543606.db2.gz LFRKIFHNNFEKKE-UHFFFAOYSA-N 0 0 448.504 2.678 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(Cc2ccc(Cl)cc2Cl)c1=O)CCN3Cc1ccco1 ZINC000009518813 569544212 /nfs/dbraw/zinc/54/42/12/569544212.db2.gz WWZZPXBTKUGKBP-UHFFFAOYSA-N 0 0 446.294 2.865 50 0 IFAARN CC(C)(C)NC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc21 ZINC000009519843 569544379 /nfs/dbraw/zinc/54/43/79/569544379.db2.gz DDMWDTKLHCVXAD-UHFFFAOYSA-N 0 0 433.574 2.732 50 0 IFAARN COc1ccc(C(=O)N2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)c(OC)c1 ZINC000009526664 569544477 /nfs/dbraw/zinc/54/44/77/569544477.db2.gz FDWJHRRCHDMSGU-UHFFFAOYSA-N 0 0 427.888 2.909 50 0 IFAARN COc1ccc(NC(=O)c2ccc(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1OC ZINC000009529880 569544948 /nfs/dbraw/zinc/54/49/48/569544948.db2.gz RHXRONGQDIXANE-YJBOKZPZSA-N 0 0 447.538 2.636 50 0 IFAARN COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2I)cc1 ZINC000009530898 569545075 /nfs/dbraw/zinc/54/50/75/569545075.db2.gz PRHHIZPXSDCTKY-UHFFFAOYSA-N 0 0 439.205 2.873 50 0 IFAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000009536728 569545587 /nfs/dbraw/zinc/54/55/87/569545587.db2.gz ANUVXPROIRNMGU-UHFFFAOYSA-N 0 0 426.561 2.632 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1C ZINC000009544417 569545999 /nfs/dbraw/zinc/54/59/99/569545999.db2.gz TTWKTEXIEKMJMM-KRWDZBQOSA-N 0 0 436.468 2.635 50 0 IFAARN C[C@H](C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1C(=O)c2ccccc2C1=O ZINC000009561802 569547151 /nfs/dbraw/zinc/54/71/51/569547151.db2.gz WDMUNWBFEAUQQN-LLVKDONJSA-N 0 0 437.477 2.591 50 0 IFAARN Cc1cc2nnc(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)n2c2ccccc12 ZINC000009562383 569547285 /nfs/dbraw/zinc/54/72/85/569547285.db2.gz YAZRNINLLYAHRQ-UHFFFAOYSA-N 0 0 427.511 2.569 50 0 IFAARN CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1cccc3ccccc31)c(=O)n2C ZINC000009571706 569547707 /nfs/dbraw/zinc/54/77/07/569547707.db2.gz VYBCOQFUPUFVCZ-UHFFFAOYSA-N 0 0 432.480 2.848 50 0 IFAARN O=C(COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000009575745 569548004 /nfs/dbraw/zinc/54/80/04/569548004.db2.gz XCJXYIKVYVMTHJ-OAHLLOKOSA-N 0 0 447.896 2.796 50 0 IFAARN O=C(COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)N[C@H]1CCS(=O)(=O)C1 ZINC000009575746 569548014 /nfs/dbraw/zinc/54/80/14/569548014.db2.gz XCJXYIKVYVMTHJ-HNNXBMFYSA-N 0 0 447.896 2.796 50 0 IFAARN O=C(CSc1nnc(Cc2ccccc2)o1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000009579173 569548474 /nfs/dbraw/zinc/54/84/74/569548474.db2.gz MZAXUTKEXWOWEA-KRWDZBQOSA-N 0 0 435.571 2.711 50 0 IFAARN CCC(=O)N(c1nnc(S[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1)C1CC1 ZINC000009580195 569548789 /nfs/dbraw/zinc/54/87/89/569548789.db2.gz UXJBGBNKMISUBT-VIFPVBQESA-N 0 0 432.531 2.732 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2cccc[n+]2[O-])c1 ZINC000009580539 569548800 /nfs/dbraw/zinc/54/88/00/569548800.db2.gz BLVSUVHJGWOHSV-UHFFFAOYSA-N 0 0 429.523 2.876 50 0 IFAARN CCSc1nnc(NC(=O)C2CCN(c3cc(-n4ccnc4C)ncn3)CC2)s1 ZINC000070637911 569548974 /nfs/dbraw/zinc/54/89/74/569548974.db2.gz APJQMPRHLCVACD-UHFFFAOYSA-N 0 0 430.563 2.789 50 0 IFAARN O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000070641488 569549056 /nfs/dbraw/zinc/54/90/56/569549056.db2.gz CVYBPCFNRMOUOE-FQEVSTJZSA-N 0 0 447.457 2.782 50 0 IFAARN CCN(Cc1nc(-c2ccc(OC)cc2)no1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000009582106 569549178 /nfs/dbraw/zinc/54/91/78/569549178.db2.gz DKOSSBSXRPVBPW-UHFFFAOYSA-N 0 0 430.486 2.914 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009583469 569549271 /nfs/dbraw/zinc/54/92/71/569549271.db2.gz BVVPUOZJDBCDLD-UHFFFAOYSA-N 0 0 434.558 2.871 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000009584845 569549423 /nfs/dbraw/zinc/54/94/23/569549423.db2.gz FLEFRSZRLROBIQ-OWJWWREXSA-N 0 0 432.480 2.534 50 0 IFAARN Cc1nc2ccc(C(=O)OCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)cc2nc1C ZINC000009584721 569549428 /nfs/dbraw/zinc/54/94/28/569549428.db2.gz KKCHINWTBSQRBR-UHFFFAOYSA-N 0 0 436.424 2.523 50 0 IFAARN CCCCn1c2nc(COC(=O)c3ccc(C=O)cc3)n(CCC(C)C)c2c(=O)[nH]c1=O ZINC000009586904 569549713 /nfs/dbraw/zinc/54/97/13/569549713.db2.gz IBIDEYRHSSGLIN-UHFFFAOYSA-N 0 0 440.500 2.902 50 0 IFAARN COc1ccc(OCCOC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)cc1 ZINC000009592016 569550278 /nfs/dbraw/zinc/55/02/78/569550278.db2.gz NDJGLFOZBFUCBT-DEOSSOPVSA-N 0 0 436.464 2.759 50 0 IFAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCN1C(=O)c2ccccc2C1=O ZINC000009592745 569550373 /nfs/dbraw/zinc/55/03/73/569550373.db2.gz GWXWGNMDUXVENB-QGZVFWFLSA-N 0 0 446.912 2.988 50 0 IFAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000009594840 569550613 /nfs/dbraw/zinc/55/06/13/569550613.db2.gz QKDQBBFHXYPKIP-UHFFFAOYSA-N 0 0 426.428 2.687 50 0 IFAARN C[C@@H]1CN(C(=O)CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)C[C@@H](C)O1 ZINC000009595039 569550668 /nfs/dbraw/zinc/55/06/68/569550668.db2.gz YQJLZKZZOXYWMM-VXGBXAGGSA-N 0 0 433.921 2.902 50 0 IFAARN Cc1cccc(-n2ccnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1C ZINC000009596594 569550790 /nfs/dbraw/zinc/55/07/90/569550790.db2.gz LQRKENCNUOZCOB-UHFFFAOYSA-N 0 0 427.530 2.867 50 0 IFAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C[C@H](C)CC2 ZINC000009599738 569551334 /nfs/dbraw/zinc/55/13/34/569551334.db2.gz UODMCBVJQMAXGL-GFCCVEGCSA-N 0 0 435.571 2.735 50 0 IFAARN O=C(CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1)NCCc1ccccc1 ZINC000009599976 569551387 /nfs/dbraw/zinc/55/13/87/569551387.db2.gz RTMHSBBXIYTJHF-UHFFFAOYSA-N 0 0 442.522 2.970 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000009601285 569551604 /nfs/dbraw/zinc/55/16/04/569551604.db2.gz NWJJPILBNFLJGW-OAHLLOKOSA-N 0 0 436.917 2.786 50 0 IFAARN COc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000009605281 569551936 /nfs/dbraw/zinc/55/19/36/569551936.db2.gz PORPALYGXBQDEU-UHFFFAOYSA-N 0 0 448.516 2.660 50 0 IFAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O ZINC000009610005 569552479 /nfs/dbraw/zinc/55/24/79/569552479.db2.gz JPUAHEVIKZFXKO-VWLOTQADSA-N 0 0 431.492 2.952 50 0 IFAARN CC(=O)Nc1ccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000009612842 569552891 /nfs/dbraw/zinc/55/28/91/569552891.db2.gz AOTDLYATBNHSOO-UHFFFAOYSA-N 0 0 425.894 2.566 50 0 IFAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 ZINC000009613799 569553103 /nfs/dbraw/zinc/55/31/03/569553103.db2.gz GSASRNUJZUAXRQ-QHCPKHFHSA-N 0 0 436.468 2.607 50 0 IFAARN O=C(CSc1nnnn1Cc1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009619018 569553336 /nfs/dbraw/zinc/55/33/36/569553336.db2.gz IXNXKYLESIEWSN-UHFFFAOYSA-N 0 0 426.893 2.686 50 0 IFAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC(=O)N3CCCC3)c2)cc1 ZINC000009618595 569553351 /nfs/dbraw/zinc/55/33/51/569553351.db2.gz RBACPHJSURIJTR-UHFFFAOYSA-N 0 0 429.542 2.562 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)NC[C@H]2CCCO2)c1 ZINC000009630970 569553715 /nfs/dbraw/zinc/55/37/15/569553715.db2.gz QMMBRJHZXQLGQC-QGZVFWFLSA-N 0 0 447.509 2.523 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1 ZINC000009633446 569554310 /nfs/dbraw/zinc/55/43/10/569554310.db2.gz ROSDXDNODDRMFP-UHFFFAOYSA-N 0 0 434.514 2.552 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCCC1 ZINC000009633843 569554333 /nfs/dbraw/zinc/55/43/33/569554333.db2.gz IVOHHIZPYAZLQM-MRXNPFEDSA-N 0 0 449.573 2.599 50 0 IFAARN COc1ccc(NC(=O)CN2CCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000009635557 569554674 /nfs/dbraw/zinc/55/46/74/569554674.db2.gz SPZCFGLKSHONPF-UHFFFAOYSA-N 0 0 429.542 2.871 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4nnco4)cc3)CC2)cc1 ZINC000009638809 569555065 /nfs/dbraw/zinc/55/50/65/569555065.db2.gz WQKFTCUJJARTGM-UHFFFAOYSA-N 0 0 426.498 2.582 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000009640198 569555340 /nfs/dbraw/zinc/55/53/40/569555340.db2.gz IGCMPMZCLALPSF-UHFFFAOYSA-N 0 0 445.523 2.751 50 0 IFAARN COC(=O)c1cc2c(cc1NC(=O)Cn1ncc3c1c1cc(C)ccc1oc3=O)OCO2 ZINC000009641021 569555575 /nfs/dbraw/zinc/55/55/75/569555575.db2.gz YECLANSWMNGQIS-UHFFFAOYSA-N 0 0 435.392 2.605 50 0 IFAARN O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000070762572 569556545 /nfs/dbraw/zinc/55/65/45/569556545.db2.gz GRLMOZXOLMYEKM-LJQANCHMSA-N 0 0 442.459 2.651 50 0 IFAARN O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCc1ccc2c(c1)OCO2 ZINC000009659259 569556610 /nfs/dbraw/zinc/55/66/10/569556610.db2.gz MCVKPMZNRRJEGT-UHFFFAOYSA-N 0 0 439.449 2.712 50 0 IFAARN CCc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1 ZINC000009660584 569556869 /nfs/dbraw/zinc/55/68/69/569556869.db2.gz ADHAEBRAIHIHMO-UHFFFAOYSA-N 0 0 444.491 2.816 50 0 IFAARN CCOc1cccc2cc(C(=O)NCCn3nc(-c4ccccc4)ccc3=O)c(=O)oc21 ZINC000009660830 569556919 /nfs/dbraw/zinc/55/69/19/569556919.db2.gz NDPCMDSJHBYQIZ-UHFFFAOYSA-N 0 0 431.448 2.845 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C)c(C)cc3OC)n2)cc1 ZINC000009661026 569556992 /nfs/dbraw/zinc/55/69/92/569556992.db2.gz XXXKKBAADRSDTJ-UHFFFAOYSA-N 0 0 443.525 2.523 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(Cl)s3)n2)cc1 ZINC000009661024 569557003 /nfs/dbraw/zinc/55/70/03/569557003.db2.gz UIRZUPNZHVBJFL-UHFFFAOYSA-N 0 0 425.919 2.612 50 0 IFAARN O=C(CSc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009661973 569557116 /nfs/dbraw/zinc/55/71/16/569557116.db2.gz MQVNCMWPGOUTDQ-UHFFFAOYSA-N 0 0 433.580 2.922 50 0 IFAARN CCCCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000009662039 569557117 /nfs/dbraw/zinc/55/71/17/569557117.db2.gz VSIVIGJCILYGOI-UHFFFAOYSA-N 0 0 444.966 2.807 50 0 IFAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(Cl)cc1 ZINC000009665535 569557589 /nfs/dbraw/zinc/55/75/89/569557589.db2.gz CXWUOJRJLUGNBL-UHFFFAOYSA-N 0 0 441.864 2.540 50 0 IFAARN Cc1ccc(CN(c2ccc(C(=O)NCCCn3ccnc3)cc2)S(C)(=O)=O)cc1 ZINC000009668798 569557956 /nfs/dbraw/zinc/55/79/56/569557956.db2.gz ADCBWEWGBSFVAN-UHFFFAOYSA-N 0 0 426.542 2.978 50 0 IFAARN Cc1ccccc1CN(c1ccc(C(=O)NCCCn2ccnc2)cc1)S(C)(=O)=O ZINC000009668799 569557958 /nfs/dbraw/zinc/55/79/58/569557958.db2.gz PZPIURQNHGMDFG-UHFFFAOYSA-N 0 0 426.542 2.978 50 0 IFAARN Cc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000009668788 569558006 /nfs/dbraw/zinc/55/80/06/569558006.db2.gz KJABNAUWHRYOCM-UHFFFAOYSA-N 0 0 426.542 2.902 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000009669587 569558079 /nfs/dbraw/zinc/55/80/79/569558079.db2.gz HMZYYOHGVYZKTA-UHFFFAOYSA-N 0 0 433.555 2.606 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)N1CCc2ccccc21 ZINC000009669991 569558230 /nfs/dbraw/zinc/55/82/30/569558230.db2.gz OVMUMYDOACOOQC-CYBMUJFWSA-N 0 0 430.555 2.774 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000009669990 569558251 /nfs/dbraw/zinc/55/82/51/569558251.db2.gz OVMUMYDOACOOQC-ZDUSSCGKSA-N 0 0 430.555 2.774 50 0 IFAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000009670259 569558266 /nfs/dbraw/zinc/55/82/66/569558266.db2.gz BRRCVJHRJKCSPS-UHFFFAOYSA-N 0 0 428.470 2.732 50 0 IFAARN O=C(c1ccc2ncsc2c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009670349 569558272 /nfs/dbraw/zinc/55/82/72/569558272.db2.gz TYGBZEFLXHHOHR-UHFFFAOYSA-N 0 0 427.551 2.932 50 0 IFAARN CSCC[C@@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1nc2ccccc2[nH]1 ZINC000009670775 569558404 /nfs/dbraw/zinc/55/84/04/569558404.db2.gz ZVGGPZMYFWWKBM-MRXNPFEDSA-N 0 0 429.546 2.728 50 0 IFAARN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(OC)cc1 ZINC000009670836 569558420 /nfs/dbraw/zinc/55/84/20/569558420.db2.gz YVDOCHPZECMHHQ-HXUWFJFHSA-N 0 0 436.505 2.736 50 0 IFAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000009671546 569558537 /nfs/dbraw/zinc/55/85/37/569558537.db2.gz MVZWDPNAMUZCKH-JOCHJYFZSA-N 0 0 449.532 2.848 50 0 IFAARN O=C(CSc1nnc(NC2CC2)s1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009671710 569558616 /nfs/dbraw/zinc/55/86/16/569558616.db2.gz VTEGTDXBAXDRAV-UHFFFAOYSA-N 0 0 439.588 2.628 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCc2ccc3c(c2)OCCO3)c1 ZINC000009671801 569558639 /nfs/dbraw/zinc/55/86/39/569558639.db2.gz SAISWZIWSZLTGS-QGZVFWFLSA-N 0 0 444.553 2.993 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)cc1 ZINC000009673955 569559031 /nfs/dbraw/zinc/55/90/31/569559031.db2.gz DMTGGSPUVQEBBX-UHFFFAOYSA-N 0 0 446.510 2.969 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3ccc(C)cc3C)CC2)cc1 ZINC000009676288 569559448 /nfs/dbraw/zinc/55/94/48/569559448.db2.gz DZAFKTYCSOJAOY-UHFFFAOYSA-N 0 0 432.542 2.660 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(Cl)ccc2OC)c1N ZINC000009677867 569559597 /nfs/dbraw/zinc/55/95/97/569559597.db2.gz UJRHRXIRFYPACT-UHFFFAOYSA-N 0 0 444.879 2.812 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2c(C)onc2CC)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000009683904 569560436 /nfs/dbraw/zinc/56/04/36/569560436.db2.gz PBXUSHOBZICWBE-LJQANCHMSA-N 0 0 443.456 2.582 50 0 IFAARN COc1ccc(NC(=O)CCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1OC ZINC000009688305 569560833 /nfs/dbraw/zinc/56/08/33/569560833.db2.gz LJVROCCWYYHTKQ-UHFFFAOYSA-N 0 0 437.431 2.608 50 0 IFAARN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCCN3CCC(C)CC3)s2)on1 ZINC000009689015 569560891 /nfs/dbraw/zinc/56/08/91/569560891.db2.gz UFGGEBRRYCXPLS-UHFFFAOYSA-N 0 0 427.548 2.590 50 0 IFAARN C[C@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)C1 ZINC000009692313 569561055 /nfs/dbraw/zinc/56/10/55/569561055.db2.gz BCOAXJXRPNPEAS-GJZGRUSLSA-N 0 0 429.952 2.613 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)ccc21 ZINC000009692206 569561060 /nfs/dbraw/zinc/56/10/60/569561060.db2.gz ONZKFZHMEIZVDG-IBGZPJMESA-N 0 0 437.606 2.841 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)NC3CCCCC3)C(C)C)ccc21 ZINC000009692113 569561080 /nfs/dbraw/zinc/56/10/80/569561080.db2.gz GEUUVSCNASLQCY-OAQYLSRUSA-N 0 0 435.590 2.738 50 0 IFAARN O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 ZINC000009699620 569561230 /nfs/dbraw/zinc/56/12/30/569561230.db2.gz RKVXDJYKAGNZFW-HNNXBMFYSA-N 0 0 426.897 2.970 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000009701381 569561253 /nfs/dbraw/zinc/56/12/53/569561253.db2.gz XICVJMFGKYGXLV-UHFFFAOYSA-N 0 0 444.469 2.748 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccccc1)=NN3Cc1ccc(Cl)cc1 ZINC000009707479 569561523 /nfs/dbraw/zinc/56/15/23/569561523.db2.gz XFBAYADUSYLWDJ-UHFFFAOYSA-N 0 0 434.887 2.512 50 0 IFAARN O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009712305 569562251 /nfs/dbraw/zinc/56/22/51/569562251.db2.gz FAKOYARPCLDTFI-GOSISDBHSA-N 0 0 435.571 2.545 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)cc1 ZINC000009715326 569563071 /nfs/dbraw/zinc/56/30/71/569563071.db2.gz QULPKINWQCUZCJ-OAHLLOKOSA-N 0 0 447.513 2.913 50 0 IFAARN O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009716558 569563191 /nfs/dbraw/zinc/56/31/91/569563191.db2.gz OJYUJDZJPCVIKR-UHFFFAOYSA-N 0 0 442.541 2.649 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O ZINC000009724099 569563660 /nfs/dbraw/zinc/56/36/60/569563660.db2.gz DEOGWZHGFJPPAA-MRXNPFEDSA-N 0 0 441.553 2.540 50 0 IFAARN CCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009725657 569563806 /nfs/dbraw/zinc/56/38/06/569563806.db2.gz ZFOCKOYDSLKGBM-UHFFFAOYSA-N 0 0 439.537 2.736 50 0 IFAARN CCn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009725722 569563827 /nfs/dbraw/zinc/56/38/27/569563827.db2.gz JLJMZHJIPRRARV-UHFFFAOYSA-N 0 0 431.558 2.868 50 0 IFAARN O=C(CSc1n[nH]c(-c2ccccc2F)n1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000009726501 569563915 /nfs/dbraw/zinc/56/39/15/569563915.db2.gz GGTTYOUPSATQFA-CQSZACIVSA-N 0 0 438.550 2.661 50 0 IFAARN O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000009726765 569563949 /nfs/dbraw/zinc/56/39/49/569563949.db2.gz GKZBBVARHXQNQD-SFHVURJKSA-N 0 0 449.598 2.620 50 0 IFAARN O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000070933445 569564170 /nfs/dbraw/zinc/56/41/70/569564170.db2.gz AGHKMUGRQFYGBO-UHFFFAOYSA-N 0 0 427.448 2.931 50 0 IFAARN CC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)OCCCO2 ZINC000009729117 569564213 /nfs/dbraw/zinc/56/42/13/569564213.db2.gz ZCXUPPLXZULZJN-NRFANRHFSA-N 0 0 444.509 2.506 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Cc1c(F)cccc1Cl ZINC000009729174 569564223 /nfs/dbraw/zinc/56/42/23/569564223.db2.gz PIZZHLYBDAMNOQ-AWEZNQCLSA-N 0 0 427.929 2.853 50 0 IFAARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009729801 569564292 /nfs/dbraw/zinc/56/42/92/569564292.db2.gz RQVMGVWUYLKXSI-UYAOXDASSA-N 0 0 425.916 2.631 50 0 IFAARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009729804 569564301 /nfs/dbraw/zinc/56/43/01/569564301.db2.gz RQVMGVWUYLKXSI-AZUAARDMSA-N 0 0 425.916 2.631 50 0 IFAARN CCOC(=O)C1=C(COC(=O)CCc2c(C)noc2C)NC(=O)N[C@@H]1c1ccccc1 ZINC000009730193 569564397 /nfs/dbraw/zinc/56/43/97/569564397.db2.gz RXWKAAUBQSPPIX-HXUWFJFHSA-N 0 0 427.457 2.639 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009731262 569564540 /nfs/dbraw/zinc/56/45/40/569564540.db2.gz KKSNLHPBPRDMKH-UHFFFAOYSA-N 0 0 438.509 2.846 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)CC1 ZINC000009737333 569564718 /nfs/dbraw/zinc/56/47/18/569564718.db2.gz LFBBNMWOZPERMH-OAQYLSRUSA-N 0 0 429.476 2.836 50 0 IFAARN COc1cc(-c2nc3c([nH]c(=O)n3-c3ccc(C)c(C)c3)c(C(N)=O)n2)cc(OC)c1OC ZINC000009739169 569564965 /nfs/dbraw/zinc/56/49/65/569564965.db2.gz AMHZKYKDKSMOGM-UHFFFAOYSA-N 0 0 449.467 2.517 50 0 IFAARN NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 ZINC000009739460 569565021 /nfs/dbraw/zinc/56/50/21/569565021.db2.gz OXWLKLYBIDCNMC-UHFFFAOYSA-N 0 0 443.341 2.622 50 0 IFAARN O=C(NCCC1=CCCCC1)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009743195 569565419 /nfs/dbraw/zinc/56/54/19/569565419.db2.gz MNUJYYGNNOMQQP-HXUWFJFHSA-N 0 0 447.601 2.743 50 0 IFAARN Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 ZINC000009742973 569565453 /nfs/dbraw/zinc/56/54/53/569565453.db2.gz BXUUCOBFGDJFFR-LJQANCHMSA-N 0 0 429.542 2.683 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1C ZINC000009743585 569565499 /nfs/dbraw/zinc/56/54/99/569565499.db2.gz IIRBPIXRKYRWKJ-FQEVSTJZSA-N 0 0 443.569 2.992 50 0 IFAARN CCn1c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)cc2nc(C)c1=O ZINC000009743838 569565532 /nfs/dbraw/zinc/56/55/32/569565532.db2.gz LXOAPNBILUUSCJ-UHFFFAOYSA-N 0 0 440.525 2.762 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCS[C@H]1c1ccccc1F ZINC000009744578 569565604 /nfs/dbraw/zinc/56/56/04/569565604.db2.gz KIPXKYXGPVTHDG-SIKLNZKXSA-N 0 0 425.485 2.793 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NC2CCCCCC2)cc1 ZINC000009745135 569565655 /nfs/dbraw/zinc/56/56/55/569565655.db2.gz CCGBFMKABAZRBJ-HXUWFJFHSA-N 0 0 449.617 2.884 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 ZINC000009746542 569565750 /nfs/dbraw/zinc/56/57/50/569565750.db2.gz KGGVJTYEOILISI-KRWDZBQOSA-N 0 0 435.571 2.745 50 0 IFAARN Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1 ZINC000009746589 569565788 /nfs/dbraw/zinc/56/57/88/569565788.db2.gz VHUZOTKIHRDFEL-QGZVFWFLSA-N 0 0 435.571 2.745 50 0 IFAARN CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1 ZINC000009755123 569566221 /nfs/dbraw/zinc/56/62/21/569566221.db2.gz AFTBHERLKUESTK-CQSZACIVSA-N 0 0 432.498 2.760 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(Cl)s1 ZINC000009761740 569566317 /nfs/dbraw/zinc/56/63/17/569566317.db2.gz MKRBXERRCMBUGK-UHFFFAOYSA-N 0 0 440.886 2.892 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1ccccc1OC ZINC000009761792 569566338 /nfs/dbraw/zinc/56/63/38/569566338.db2.gz UAEZKULUHKQUGA-UHFFFAOYSA-N 0 0 437.452 2.744 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1cccc(F)c1 ZINC000009761867 569566398 /nfs/dbraw/zinc/56/63/98/569566398.db2.gz OJVIZHRZUZJNOT-UHFFFAOYSA-N 0 0 425.416 2.874 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2nn(C)c(=O)c3ccccc32)c1C ZINC000009765226 569566755 /nfs/dbraw/zinc/56/67/55/569566755.db2.gz DSKRJHVSMVCCDJ-SFHVURJKSA-N 0 0 448.523 2.810 50 0 IFAARN Cc1csc(-c2nonc2NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 ZINC000009767886 569566967 /nfs/dbraw/zinc/56/69/67/569566967.db2.gz VLZGYSYVRVQGJW-UHFFFAOYSA-N 0 0 433.515 2.928 50 0 IFAARN Cc1sc2ncn(CC(=O)NCCCC(=O)NCCC3=CCCCC3)c(=O)c2c1C ZINC000009775698 569566997 /nfs/dbraw/zinc/56/69/97/569566997.db2.gz HOUMJAXZNOZJGJ-UHFFFAOYSA-N 0 0 430.574 2.978 50 0 IFAARN CCOC(=O)c1[nH]c(COC(=O)c2cc(=O)[nH]c3ccccc32)c(C(=O)OCC)c1C ZINC000009778129 569567233 /nfs/dbraw/zinc/56/72/33/569567233.db2.gz GEXVCNRTKGMJSZ-UHFFFAOYSA-N 0 0 426.425 2.875 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)n2)cc1 ZINC000009778979 569567302 /nfs/dbraw/zinc/56/73/02/569567302.db2.gz SPSBFWKTWICITJ-NRFANRHFSA-N 0 0 435.513 2.851 50 0 IFAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009781908 569567605 /nfs/dbraw/zinc/56/76/05/569567605.db2.gz RIMAHELMTZVKTQ-UHFFFAOYSA-N 0 0 436.555 2.579 50 0 IFAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1=O ZINC000009783218 569567792 /nfs/dbraw/zinc/56/77/92/569567792.db2.gz KEXHFAZYDLLCFR-FYSMJZIKSA-N 0 0 437.496 2.882 50 0 IFAARN C[C@@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)c1c[nH]c2ccccc21 ZINC000009787234 569567948 /nfs/dbraw/zinc/56/79/48/569567948.db2.gz ZXDAXYPFUFGUFD-CQSZACIVSA-N 0 0 439.493 2.801 50 0 IFAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000009789176 569568054 /nfs/dbraw/zinc/56/80/54/569568054.db2.gz RNFUFTDWKYMPTE-LJQANCHMSA-N 0 0 443.525 2.523 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009798838 569568541 /nfs/dbraw/zinc/56/85/41/569568541.db2.gz KNTODJNRNNOTJY-KRWDZBQOSA-N 0 0 432.498 2.558 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(F)c2)c(C)c1 ZINC000009806387 569568914 /nfs/dbraw/zinc/56/89/14/569568914.db2.gz GPRDQLYGIDAWKN-LJQANCHMSA-N 0 0 447.532 2.659 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2C)c1 ZINC000009807440 569568977 /nfs/dbraw/zinc/56/89/77/569568977.db2.gz LUKGWCPDFZAQII-SFHVURJKSA-N 0 0 429.542 2.520 50 0 IFAARN Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)cc1 ZINC000009823423 569569543 /nfs/dbraw/zinc/56/95/43/569569543.db2.gz PCDJWODIEGMPBL-FQEVSTJZSA-N 0 0 430.302 2.841 50 0 IFAARN CC(C)NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000009827451 569569699 /nfs/dbraw/zinc/56/96/99/569569699.db2.gz JPXLUHJRCMDBLK-UHFFFAOYSA-N 0 0 446.451 2.529 50 0 IFAARN COc1cccc(-c2ccc3nnc(SCC(=O)NCc4ccc5c(c4)OCO5)n3n2)c1 ZINC000009829139 569569985 /nfs/dbraw/zinc/56/99/85/569569985.db2.gz YIDYZNMUTNCZKE-UHFFFAOYSA-N 0 0 449.492 2.937 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(CCc2ccccc2)c(=O)n3C)n1CCc1ccccc1 ZINC000009829447 569570042 /nfs/dbraw/zinc/57/00/42/569570042.db2.gz UTGXAUOBUWHWNB-UHFFFAOYSA-N 0 0 427.508 2.943 50 0 IFAARN COc1ccccc1-n1c(C)cn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C ZINC000009829378 569570051 /nfs/dbraw/zinc/57/00/51/569570051.db2.gz NURJEWNEYRYUOS-UHFFFAOYSA-N 0 0 429.480 2.812 50 0 IFAARN CCc1nnc(NC(=O)CSc2ccc3nnc(-c4ccc(OC)cc4)n3n2)s1 ZINC000009831644 569570241 /nfs/dbraw/zinc/57/02/41/569570241.db2.gz NQCDMUFUWHXFRO-UHFFFAOYSA-N 0 0 427.515 2.945 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(CC)cc3)n2)cc1 ZINC000009844758 569570964 /nfs/dbraw/zinc/57/09/64/569570964.db2.gz ZMPAUSNVXSVLKB-UHFFFAOYSA-N 0 0 427.526 2.850 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)c3cc4sccc4n3C)CC2)CC1 ZINC000009847786 569571194 /nfs/dbraw/zinc/57/11/94/569571194.db2.gz AWGTXPVKESILRX-UHFFFAOYSA-N 0 0 446.573 2.829 50 0 IFAARN CSc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1-c1ccccc1 ZINC000009858731 569571731 /nfs/dbraw/zinc/57/17/31/569571731.db2.gz WGLWVIAPAQJKDE-UHFFFAOYSA-N 0 0 442.566 2.741 50 0 IFAARN COc1cc(NC(=O)c2cccc(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc(OC)c1 ZINC000009860340 569571806 /nfs/dbraw/zinc/57/18/06/569571806.db2.gz QKCNHAZIYLQCIH-ROUUACIJSA-N 0 0 447.538 2.636 50 0 IFAARN COC(=O)c1ccc(COC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 ZINC000009863997 569572083 /nfs/dbraw/zinc/57/20/83/569572083.db2.gz QJLDLEZTGCXPTK-SFHVURJKSA-N 0 0 427.478 2.934 50 0 IFAARN Fc1cccc(-n2c(SCc3nnnn3-c3ccccc3)nnc2N2CCOCC2)c1 ZINC000009864151 569572114 /nfs/dbraw/zinc/57/21/14/569572114.db2.gz CEYUCUZENDIYPS-UHFFFAOYSA-N 0 0 438.492 2.511 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)c1cc2ccccc2o1 ZINC000009866482 569572240 /nfs/dbraw/zinc/57/22/40/569572240.db2.gz VPBKJZOIPUCKAE-JCQPUDPBSA-N 0 0 435.436 2.806 50 0 IFAARN COc1ccc(-c2nc(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cs2)cc1OC ZINC000009868949 569572350 /nfs/dbraw/zinc/57/23/50/569572350.db2.gz GGCAXDIPWJNVRN-UHFFFAOYSA-N 0 0 441.509 2.947 50 0 IFAARN NC(=O)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009871381 569572400 /nfs/dbraw/zinc/57/24/00/569572400.db2.gz ZEYIRNRHOOTGMP-KRWDZBQOSA-N 0 0 427.526 2.811 50 0 IFAARN COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCC1 ZINC000009885412 569572907 /nfs/dbraw/zinc/57/29/07/569572907.db2.gz UUVSHZQTFJQDJD-UHFFFAOYSA-N 0 0 427.526 2.934 50 0 IFAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000009893050 569573035 /nfs/dbraw/zinc/57/30/35/569573035.db2.gz DLWTZZQUZYZLKP-UHFFFAOYSA-N 0 0 446.492 2.976 50 0 IFAARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000009913602 569573330 /nfs/dbraw/zinc/57/33/30/569573330.db2.gz QRUPKZGSRMNUOR-UHFFFAOYSA-N 0 0 436.555 2.927 50 0 IFAARN CC(C)Nc1nnc(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000009921410 569573573 /nfs/dbraw/zinc/57/35/73/569573573.db2.gz KNRJCMMTCAFOMF-AWEZNQCLSA-N 0 0 426.589 2.671 50 0 IFAARN CCOc1ccccc1-n1nnnc1SCC(=O)NCCCOCc1ccccc1 ZINC000009943272 569574066 /nfs/dbraw/zinc/57/40/66/569574066.db2.gz QOQABXXQHVBYIZ-UHFFFAOYSA-N 0 0 427.530 2.876 50 0 IFAARN CN(Cc1ccsc1)C(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1 ZINC000009950183 569574320 /nfs/dbraw/zinc/57/43/20/569574320.db2.gz NWRACRYGCWPNHG-UHFFFAOYSA-N 0 0 443.598 2.975 50 0 IFAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)Nc2cc(C(C)C)no2)c1 ZINC000009958997 569574992 /nfs/dbraw/zinc/57/49/92/569574992.db2.gz KNEYJKLMLAHCEW-UHFFFAOYSA-N 0 0 430.490 2.665 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2N)cc1 ZINC000009959108 569575068 /nfs/dbraw/zinc/57/50/68/569575068.db2.gz HYTVYEXJKXOUJI-GFCCVEGCSA-N 0 0 439.921 2.793 50 0 IFAARN COc1cc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)cc(OC)c1 ZINC000071327267 569575227 /nfs/dbraw/zinc/57/52/27/569575227.db2.gz QQRZYURICJMKDM-UHFFFAOYSA-N 0 0 427.436 2.942 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)c1 ZINC000071327421 569575270 /nfs/dbraw/zinc/57/52/70/569575270.db2.gz NNQQMFZQBWLOBU-UHFFFAOYSA-N 0 0 427.436 2.942 50 0 IFAARN COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(OC)ccc3OC)c2C)c1 ZINC000071327361 569575283 /nfs/dbraw/zinc/57/52/83/569575283.db2.gz WYHSNZLJBSQTFK-UHFFFAOYSA-N 0 0 425.445 2.503 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(OC)cc3)c2C)c1 ZINC000071327326 569575297 /nfs/dbraw/zinc/57/52/97/569575297.db2.gz DGVAFLKHACQSAC-UHFFFAOYSA-N 0 0 437.456 2.663 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000009961326 569575570 /nfs/dbraw/zinc/57/55/70/569575570.db2.gz DIWIPYCLHWEQEO-HZPDHXFCSA-N 0 0 434.514 2.711 50 0 IFAARN CC(C)Cc1nnc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 ZINC000071328921 569575609 /nfs/dbraw/zinc/57/56/09/569575609.db2.gz GVYMQQOMQOIWNF-CQSZACIVSA-N 0 0 434.541 2.735 50 0 IFAARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000009962803 569575697 /nfs/dbraw/zinc/57/56/97/569575697.db2.gz PNXKQLCEBMQJOA-UHFFFAOYSA-N 0 0 436.468 2.946 50 0 IFAARN Cc1cc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1Cc1cccs1 ZINC000009963813 569575849 /nfs/dbraw/zinc/57/58/49/569575849.db2.gz APPJJOSYYZLWAQ-UHFFFAOYSA-N 0 0 443.525 2.805 50 0 IFAARN O=C(Nc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009980748 569576483 /nfs/dbraw/zinc/57/64/83/569576483.db2.gz BQHPNGRFUHQDBH-UHFFFAOYSA-N 0 0 430.461 2.915 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=S)NC[C@H]2CCCO2)c1 ZINC000009981087 569576495 /nfs/dbraw/zinc/57/64/95/569576495.db2.gz GANASJZNRCDHDH-MRXNPFEDSA-N 0 0 440.635 2.783 50 0 IFAARN CCOc1ccc(CCNC(=O)CSc2nnc3nc(C)cc(C)n32)cc1OCC ZINC000010021790 569577202 /nfs/dbraw/zinc/57/72/02/569577202.db2.gz GLDJPMJNVLLKJS-UHFFFAOYSA-N 0 0 429.546 2.990 50 0 IFAARN Cc1ccc(NC(=O)CSCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)c1 ZINC000010022208 569577207 /nfs/dbraw/zinc/57/72/07/569577207.db2.gz ZVSWKQGVKZCLBH-UHFFFAOYSA-N 0 0 442.493 2.732 50 0 IFAARN CS(=O)(=O)NC1CCN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000010043065 569577480 /nfs/dbraw/zinc/57/74/80/569577480.db2.gz ZMWGOTPEQOWHJQ-UHFFFAOYSA-N 0 0 447.401 2.676 50 0 IFAARN COc1cc(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)ccc1OC(F)F ZINC000010082285 569577677 /nfs/dbraw/zinc/57/76/77/569577677.db2.gz OVJLKVRFAHWJGC-UHFFFAOYSA-N 0 0 426.441 2.767 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000010095446 569577767 /nfs/dbraw/zinc/57/77/67/569577767.db2.gz UDTXRFNWPWDNKF-UHFFFAOYSA-N 0 0 431.436 2.847 50 0 IFAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1-c1ccccc1OCc1ccccc1F ZINC000010102917 569577834 /nfs/dbraw/zinc/57/78/34/569577834.db2.gz HYNMTBCEXVXOQD-UHFFFAOYSA-N 0 0 433.443 2.702 50 0 IFAARN CCN(CC(=O)NC(C)C)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000010142552 569578114 /nfs/dbraw/zinc/57/81/14/569578114.db2.gz YMDAJRGOXPGXGJ-UHFFFAOYSA-N 0 0 430.574 2.977 50 0 IFAARN COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(C(F)(F)F)cc1)C(C(=O)OC)=C(N)O2 ZINC000010166091 569578199 /nfs/dbraw/zinc/57/81/99/569578199.db2.gz SJQSNWQQHZATRH-OAHLLOKOSA-N 0 0 438.402 2.690 50 0 IFAARN COc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)cc1 ZINC000010186849 569578506 /nfs/dbraw/zinc/57/85/06/569578506.db2.gz LUIPURLWYAEJPG-UHFFFAOYSA-N 0 0 448.526 2.846 50 0 IFAARN Cc1c(C)n(-c2ccccc2N)c2nc3c(c(=O)n(Cc4ccccc4C)c(=O)n3C)n12 ZINC000010233674 569579605 /nfs/dbraw/zinc/57/96/05/569579605.db2.gz JWLQRMFCVJUCDQ-UHFFFAOYSA-N 0 0 428.496 2.694 50 0 IFAARN Cc1c(C)n(-c2ccccc2O)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n12 ZINC000010233685 569579618 /nfs/dbraw/zinc/57/96/18/569579618.db2.gz KLWIRHLSMDUUON-UHFFFAOYSA-N 0 0 433.443 2.648 50 0 IFAARN Cc1ccc(N2CCn3c2nc2c3c(=O)n(CC(=O)C(C)(C)C)c(=O)n2C)cc1Cl ZINC000010233774 569579653 /nfs/dbraw/zinc/57/96/53/569579653.db2.gz ILCOOEPLSTYRMP-UHFFFAOYSA-N 0 0 429.908 2.625 50 0 IFAARN Cc1c(C)n(-c2ccccc2O)c2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n12 ZINC000010233683 569579660 /nfs/dbraw/zinc/57/96/60/569579660.db2.gz CEQYWESSKXXSQG-UHFFFAOYSA-N 0 0 429.480 2.818 50 0 IFAARN CCOCCCn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C ZINC000010271959 569580122 /nfs/dbraw/zinc/58/01/22/569580122.db2.gz SRSRBLMSTCIGBC-UHFFFAOYSA-N 0 0 443.935 2.895 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2cccc(C)c2)S1(=O)=O ZINC000010272417 569580195 /nfs/dbraw/zinc/58/01/95/569580195.db2.gz NTWYODZYJJUFAN-UHFFFAOYSA-N 0 0 445.541 2.563 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000010273348 569580253 /nfs/dbraw/zinc/58/02/53/569580253.db2.gz SAHVQBSGQARSHU-SFHVURJKSA-N 0 0 434.901 2.903 50 0 IFAARN CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4cc(OC)ccc4OC)c3)nc2)n1 ZINC000071768344 569580674 /nfs/dbraw/zinc/58/06/74/569580674.db2.gz ATYWKMFKRYLZOJ-UHFFFAOYSA-N 0 0 434.456 2.827 50 0 IFAARN NC(=O)c1ccc(COC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 ZINC000010320573 569580919 /nfs/dbraw/zinc/58/09/19/569580919.db2.gz KKKHTIDVYHAYSF-UHFFFAOYSA-N 0 0 430.507 2.683 50 0 IFAARN COc1ccccc1C(=O)N1CCN(c2nc3ccc(S(C)(=O)=O)cc3s2)CC1 ZINC000010337296 569581242 /nfs/dbraw/zinc/58/12/42/569581242.db2.gz IOWKVYMLAQJBHO-UHFFFAOYSA-N 0 0 431.539 2.671 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cccnc2OCC)NC(=O)N[C@H]1c1cccs1 ZINC000010391775 569581880 /nfs/dbraw/zinc/58/18/80/569581880.db2.gz OOQCMDQGHNTYGM-INIZCTEOSA-N 0 0 431.470 2.570 50 0 IFAARN CCn1c2ccccc2n(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1=O ZINC000010407173 569581952 /nfs/dbraw/zinc/58/19/52/569581952.db2.gz TZIOEHYTFNLDJP-UHFFFAOYSA-N 0 0 442.541 2.636 50 0 IFAARN O=C(CCn1c(=O)c2sccc2n(Cc2ccc(F)cc2)c1=O)NCc1ccco1 ZINC000010433607 569582094 /nfs/dbraw/zinc/58/20/94/569582094.db2.gz NEROYFKMDVQEIK-UHFFFAOYSA-N 0 0 427.457 2.712 50 0 IFAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CC1 ZINC000010446730 569582309 /nfs/dbraw/zinc/58/23/09/569582309.db2.gz RLTSHTNHULGUTI-UHFFFAOYSA-N 0 0 446.507 2.813 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000010454078 569582375 /nfs/dbraw/zinc/58/23/75/569582375.db2.gz HCAFNYRGDDPBRF-NRFANRHFSA-N 0 0 447.532 2.572 50 0 IFAARN CC(C)[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 ZINC000010494421 569582560 /nfs/dbraw/zinc/58/25/60/569582560.db2.gz DNAPNGIUEVOICY-LJQANCHMSA-N 0 0 437.587 2.966 50 0 IFAARN O=C(Nc1cccc(C(=O)Nc2nc3ccccc3s2)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000031813417 569583859 /nfs/dbraw/zinc/58/38/59/569583859.db2.gz FPXUHFMGQJZFBI-AWEZNQCLSA-N 0 0 430.511 2.857 50 0 IFAARN COc1ccc2nc(NC(=O)Cn3nc(-c4ccc(OC)cc4F)ccc3=O)sc2c1 ZINC000049550797 569584693 /nfs/dbraw/zinc/58/46/93/569584693.db2.gz CASMQOTWCHTDIX-UHFFFAOYSA-N 0 0 440.456 3.315 50 0 IFAARN Cc1nonc1NC(=O)CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 ZINC000575444509 569584969 /nfs/dbraw/zinc/58/49/69/569584969.db2.gz NMGSXYACZLTLJF-UHFFFAOYSA-N 0 0 431.481 3.450 50 0 IFAARN O=c1nc2nc(N3CCN(c4cccc(Cl)c4)CC3)[nH]cc-2c(=O)n1C1CCCC1 ZINC000077100716 569585430 /nfs/dbraw/zinc/58/54/30/569585430.db2.gz CXKQYGXPJXQFER-UHFFFAOYSA-N 0 0 426.908 2.987 50 0 IFAARN Cn1nc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)n(-c2ccccc2)c1=O ZINC000077100621 569585437 /nfs/dbraw/zinc/58/54/37/569585437.db2.gz FHUASXLSYYVIOQ-ZDUSSCGKSA-N 0 0 438.962 2.854 50 0 IFAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1 ZINC000077135601 569585677 /nfs/dbraw/zinc/58/56/77/569585677.db2.gz DLHSXCCVIPVMRB-UHFFFAOYSA-N 0 0 442.523 2.991 50 0 IFAARN COc1ccc(S(=O)(=O)CC(=O)OC2CN(c3nc4ccc(F)cc4s3)C2)cc1 ZINC000077157119 569585734 /nfs/dbraw/zinc/58/57/34/569585734.db2.gz XZGNRGJQFJRKFY-UHFFFAOYSA-N 0 0 436.486 2.650 50 0 IFAARN Cn1nc(C2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)n(C2CC2)c1=O ZINC000077154365 569585747 /nfs/dbraw/zinc/58/57/47/569585747.db2.gz CLCCEOVXEAEMNJ-UHFFFAOYSA-N 0 0 439.438 2.633 50 0 IFAARN O=S(=O)(c1cc(F)ccc1F)N1CCN(CCn2ccnc2-c2ccccc2)CC1 ZINC000077160842 569585779 /nfs/dbraw/zinc/58/57/79/569585779.db2.gz UFHGIMBDWZPFHQ-UHFFFAOYSA-N 0 0 432.496 2.835 50 0 IFAARN COc1ccc(F)cc1S(=O)(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1 ZINC000077159958 569585781 /nfs/dbraw/zinc/58/57/81/569585781.db2.gz PQRPPRYARYFNAE-UHFFFAOYSA-N 0 0 444.532 2.704 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)s1 ZINC000077196319 569586026 /nfs/dbraw/zinc/58/60/26/569586026.db2.gz QQTWBARZMFLGSX-UHFFFAOYSA-N 0 0 435.556 2.556 50 0 IFAARN Cn1nc(-c2ccccc2)cc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2 ZINC000077196512 569586102 /nfs/dbraw/zinc/58/61/02/569586102.db2.gz MVARKBLBWNOBEN-UHFFFAOYSA-N 0 0 443.554 2.646 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NCC3CCN(c4ncccn4)CC3)n(C)n2)c1 ZINC000077200886 569586538 /nfs/dbraw/zinc/58/65/38/569586538.db2.gz LHYQOCMQZWOQAC-UHFFFAOYSA-N 0 0 436.516 2.541 50 0 IFAARN CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)C1CCCC1 ZINC000078282069 569586636 /nfs/dbraw/zinc/58/66/36/569586636.db2.gz LFKNQIXVLKQGEI-UHFFFAOYSA-N 0 0 449.617 2.708 50 0 IFAARN Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1 ZINC000000624515 193860567 /nfs/dbraw/zinc/86/05/67/193860567.db2.gz JFKPYUBHTOUKDP-UHFFFAOYSA-N 0 0 437.525 2.685 50 0 IFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(Br)c(O)c(OC)c1 ZINC000000627019 193861211 /nfs/dbraw/zinc/86/12/11/193861211.db2.gz LRPIPPKHANEPPJ-UHFFFAOYSA-N 0 0 426.263 2.744 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000628109 193862393 /nfs/dbraw/zinc/86/23/93/193862393.db2.gz BLDNSYRSCINTMS-LYPXWFNGSA-N 0 0 440.546 2.868 50 0 IFAARN COc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000000654172 193873945 /nfs/dbraw/zinc/87/39/45/193873945.db2.gz UOCWUBZEBSPMLL-UHFFFAOYSA-N 0 0 438.933 2.711 50 0 IFAARN CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCOC)c2c1 ZINC000006238514 193893197 /nfs/dbraw/zinc/89/31/97/193893197.db2.gz UMGMJFWCOXGSSM-UHFFFAOYSA-N 0 0 442.541 2.751 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1 ZINC000009844743 193904021 /nfs/dbraw/zinc/90/40/21/193904021.db2.gz BEWQURXKJVMBRA-UHFFFAOYSA-N 0 0 443.525 2.605 50 0 IFAARN COc1ccccc1NC(=O)Cn1c2ncccc2c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000009830920 193897868 /nfs/dbraw/zinc/89/78/68/193897868.db2.gz MVFCCGDQZXOEOC-UHFFFAOYSA-N 0 0 430.464 2.562 50 0 IFAARN CCOc1ccc(Nc2nc(N)nc(CN3CCN(c4cccc(OC)c4)CC3)n2)cc1 ZINC000054146950 193929419 /nfs/dbraw/zinc/92/94/19/193929419.db2.gz JUXPTLCDXWMABB-UHFFFAOYSA-N 0 0 435.532 2.927 50 0 IFAARN COc1cccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)c1 ZINC000055053994 193933384 /nfs/dbraw/zinc/93/33/84/193933384.db2.gz DUBBWDINEOLYAE-FQEVSTJZSA-N 0 0 433.911 2.537 50 0 IFAARN COc1cc2c(cc1OC)-c1cc(N3CCN(c4ccc(F)cc4)CC3)nc(=O)n1CC2 ZINC000009089822 132226788 /nfs/dbraw/zinc/22/67/88/132226788.db2.gz DCXNXORIJUQPED-UHFFFAOYSA-N 0 0 436.487 2.949 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 ZINC000000628665 132228120 /nfs/dbraw/zinc/22/81/20/132228120.db2.gz BQGUHADDQZWHHU-UHFFFAOYSA-N 0 0 425.913 2.594 50 0 IFAARN O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccc(F)cc2)CC1 ZINC000000665349 132229034 /nfs/dbraw/zinc/22/90/34/132229034.db2.gz NVQOIQSTIKSUGV-UHFFFAOYSA-N 0 0 446.331 2.760 50 0 IFAARN Cn1c(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nnc1-c1ccncc1 ZINC000000815671 132230994 /nfs/dbraw/zinc/23/09/94/132230994.db2.gz DBHHQLOCDSTKJC-UHFFFAOYSA-N 0 0 428.949 2.971 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000000916630 132234174 /nfs/dbraw/zinc/23/41/74/132234174.db2.gz DLLZJPGNUDCUQY-UHFFFAOYSA-N 0 0 425.913 2.594 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@H](C)Sc2nc(Cl)nc3[nH]cnc32)CC1 ZINC000009421604 132234346 /nfs/dbraw/zinc/23/43/46/132234346.db2.gz ZMUQLAQEEUTQDA-LBPRGKRZSA-N 0 0 432.937 2.844 50 0 IFAARN O=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)c(F)c1 ZINC000009569825 132234843 /nfs/dbraw/zinc/23/48/43/132234843.db2.gz SLWOFLGUHPUTDY-UHFFFAOYSA-N 0 0 443.903 2.500 50 0 IFAARN O=C(Nc1ccccc1N1CCOCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009588921 132236557 /nfs/dbraw/zinc/23/65/57/132236557.db2.gz HWUHFWNOABYXRT-UHFFFAOYSA-N 0 0 429.542 2.950 50 0 IFAARN Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 ZINC000001246393 132240633 /nfs/dbraw/zinc/24/06/33/132240633.db2.gz ZGLBSRLJMNAECV-MHWRWJLKSA-N 0 0 444.582 2.697 50 0 IFAARN O=C(COc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 ZINC000009849819 132241819 /nfs/dbraw/zinc/24/18/19/132241819.db2.gz KWWRYZRLSKPLMC-UHFFFAOYSA-N 0 0 449.902 2.592 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(Cl)cc3)CC2)cc1 ZINC000009849580 132241835 /nfs/dbraw/zinc/24/18/35/132241835.db2.gz MEANANZQYKLINR-UHFFFAOYSA-N 0 0 449.902 2.835 50 0 IFAARN O=C(c1ccccc1F)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 ZINC000009849641 132241863 /nfs/dbraw/zinc/24/18/63/132241863.db2.gz LTNHULKOUGWZQQ-UHFFFAOYSA-N 0 0 437.866 2.965 50 0 IFAARN O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2)N1CCCc2ccccc21 ZINC000010255330 132244107 /nfs/dbraw/zinc/24/41/07/132244107.db2.gz CYJQKBXXNGFWHT-QGZVFWFLSA-N 0 0 425.554 2.983 50 0 IFAARN O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)N1CCCc2ccccc21 ZINC000010255328 132244176 /nfs/dbraw/zinc/24/41/76/132244176.db2.gz CYJQKBXXNGFWHT-KRWDZBQOSA-N 0 0 425.554 2.983 50 0 IFAARN CC(C)Oc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 ZINC000009824010 132244444 /nfs/dbraw/zinc/24/44/44/132244444.db2.gz ZKHGVJYLOUTQPW-UHFFFAOYSA-N 0 0 443.511 2.960 50 0 IFAARN Cc1cc2c(c(C)c1)NC(=O)/C2=c1\sc2n(c1=O)CN(c1ccc(C)c(Cl)c1)CN=2 ZINC000002259643 132250464 /nfs/dbraw/zinc/25/04/64/132250464.db2.gz QCJDLNQTUIAUDX-ZPHPHTNESA-N 0 0 438.940 2.694 50 0 IFAARN COCCn1c(Cc2cccn2C)nnc1SCC(=O)N1CCCc2ccccc21 ZINC000002713780 132256522 /nfs/dbraw/zinc/25/65/22/132256522.db2.gz PBGATLUVDGFTKP-UHFFFAOYSA-N 0 0 425.558 2.925 50 0 IFAARN Cc1cc(Br)cc(Cl)c1OCC(=O)N1CCN(c2ncccn2)CC1 ZINC000003350758 132264368 /nfs/dbraw/zinc/26/43/68/132264368.db2.gz BGFQVUSHCLOMPH-UHFFFAOYSA-N 0 0 425.714 2.929 50 0 IFAARN O=C(Nc1ccccc1N1CCOCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000003415301 132265043 /nfs/dbraw/zinc/26/50/43/132265043.db2.gz LTQVIGWFKYYEQY-UHFFFAOYSA-N 0 0 435.571 2.624 50 0 IFAARN O=C(CN1CC(=O)Nc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003433913 132265436 /nfs/dbraw/zinc/26/54/36/132265436.db2.gz CRYVJSKZWNJRMX-UHFFFAOYSA-N 0 0 434.418 2.939 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1 ZINC000004004353 132268526 /nfs/dbraw/zinc/26/85/26/132268526.db2.gz FHNDMCFHJROFJM-UHFFFAOYSA-N 0 0 434.540 2.826 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1cccc[n+]1[O-] ZINC000004057800 132269289 /nfs/dbraw/zinc/26/92/89/132269289.db2.gz UPVAMOSEJFBYAL-UHFFFAOYSA-N 0 0 433.530 2.685 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1C ZINC000004571106 132272344 /nfs/dbraw/zinc/27/23/44/132272344.db2.gz RXYXVTTYZRKPIU-UHFFFAOYSA-N 0 0 429.590 2.903 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CCCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]2C)c1 ZINC000004763854 132273815 /nfs/dbraw/zinc/27/38/15/132273815.db2.gz CSYCPYZOCGKHGJ-INIZCTEOSA-N 0 0 426.542 2.577 50 0 IFAARN Cc1cc(-c2nnc(CN(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)o2)c(C)o1 ZINC000007273794 132280536 /nfs/dbraw/zinc/28/05/36/132280536.db2.gz XUWAMCGZZPQTJX-UHFFFAOYSA-N 0 0 425.489 2.854 50 0 IFAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)Nc1ccc(F)cc1F ZINC000008605671 132287256 /nfs/dbraw/zinc/28/72/56/132287256.db2.gz WIBABAGMFFCUJY-UHFFFAOYSA-N 0 0 442.470 2.965 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1 ZINC000008680563 132290116 /nfs/dbraw/zinc/29/01/16/132290116.db2.gz NUCXLRUAMAHFDI-UHFFFAOYSA-N 0 0 434.525 2.611 50 0 IFAARN O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N1CCN(c2ccccc2F)CC1 ZINC000008710381 132291315 /nfs/dbraw/zinc/29/13/15/132291315.db2.gz BUUFJSSPMLXCBB-CQSZACIVSA-N 0 0 437.566 2.709 50 0 IFAARN O=C(/C=C/c1ccc2ccccc2n1)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000008723589 132292061 /nfs/dbraw/zinc/29/20/61/132292061.db2.gz RYMMAWZTOINYRL-HRBBJJPOSA-N 0 0 429.476 2.901 50 0 IFAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4ncccn4)CC3)nc2-c2ccccc2)cc1 ZINC000008782939 132294462 /nfs/dbraw/zinc/29/44/62/132294462.db2.gz GSPBCLAAKLURLB-UHFFFAOYSA-N 0 0 425.496 2.995 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)Cn3ncc4c5ccccc5n(C)c4c3=O)CC2)c1 ZINC000008932960 132298219 /nfs/dbraw/zinc/29/82/19/132298219.db2.gz LMLILMXUJRGERC-UHFFFAOYSA-N 0 0 429.524 2.854 50 0 IFAARN CCc1nn([C@H](C)C(=O)N2CCN(c3cccc(OC)c3)CC2)c(=O)c2cc3occc3n21 ZINC000008964992 132298776 /nfs/dbraw/zinc/29/87/76/132298776.db2.gz AMFPEYSERBBPQA-MRXNPFEDSA-N 0 0 449.511 2.723 50 0 IFAARN CC(=O)Nc1ccc2c(c1)C[C@@]1(C(=O)NC(=O)N(C(C)(C)C)C1=O)[C@H]1CCCCCN21 ZINC000008971341 132299194 /nfs/dbraw/zinc/29/91/94/132299194.db2.gz LYSINHHYCTYTIN-JPYJTQIMSA-N 0 0 426.517 2.813 50 0 IFAARN COc1ccc(OC)c(N2C[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)c1 ZINC000009095612 132302789 /nfs/dbraw/zinc/30/27/89/132302789.db2.gz AFEQZBJJFOOLAI-MRXNPFEDSA-N 0 0 427.476 2.545 50 0 IFAARN CCn1c(SCC(=O)N2CCN(c3ccccc3OC)CC2)nnc1-c1ccncc1 ZINC000009096342 132302804 /nfs/dbraw/zinc/30/28/04/132302804.db2.gz YLNSLBZZQYCGSM-UHFFFAOYSA-N 0 0 438.557 2.810 50 0 IFAARN Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C[C@@H]2C)c1 ZINC000009120243 132304731 /nfs/dbraw/zinc/30/47/31/132304731.db2.gz WLHMDQWVJUHDKN-RBUKOAKNSA-N 0 0 435.524 2.856 50 0 IFAARN Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000009120287 132304760 /nfs/dbraw/zinc/30/47/60/132304760.db2.gz SYYLWGNHADPNNO-UHFFFAOYSA-N 0 0 449.463 2.941 50 0 IFAARN NC(=O)[C@@H]1CN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)c2ccccc2O1 ZINC000009126795 132305376 /nfs/dbraw/zinc/30/53/76/132305376.db2.gz UGEGDHDUDUBBTJ-QFIPXVFZSA-N 0 0 442.475 2.895 50 0 IFAARN CCn1cnc2cc(NS(=O)(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)ccc21 ZINC000009129661 132305772 /nfs/dbraw/zinc/30/57/72/132305772.db2.gz WMEBKGMFJZANNR-UHFFFAOYSA-N 0 0 434.543 2.569 50 0 IFAARN C[C@H](NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)c1cc2ccccc2o1 ZINC000009207619 132308473 /nfs/dbraw/zinc/30/84/73/132308473.db2.gz DGIRDFKFEIPPJX-GAJHUEQPSA-N 0 0 449.507 2.736 50 0 IFAARN Cc1noc(C)c1CCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211298 132309200 /nfs/dbraw/zinc/30/92/00/132309200.db2.gz OGLSPVLWCXOGMR-UHFFFAOYSA-N 0 0 437.548 2.733 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)Cn3ncc4c5cc(C)ccc5[nH]c4c3=O)CC2)cc1 ZINC000009225928 132309931 /nfs/dbraw/zinc/30/99/31/132309931.db2.gz JZIBJFGWYYKJKH-UHFFFAOYSA-N 0 0 443.507 2.738 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000009228506 132310018 /nfs/dbraw/zinc/31/00/18/132310018.db2.gz ZITVADLLJLTVCJ-UHFFFAOYSA-N 0 0 447.557 2.532 50 0 IFAARN Cc1cccc(N2CCN(C(=O)Cn3ncn4nc(-c5cccs5)cc4c3=O)C[C@H]2C)c1 ZINC000009251954 132311066 /nfs/dbraw/zinc/31/10/66/132311066.db2.gz LPOMVENQBDAPGK-QGZVFWFLSA-N 0 0 448.552 2.665 50 0 IFAARN Cc1ccccc1N1CCN(S(=O)(=O)c2nnc(NC(=O)c3cccs3)s2)CC1 ZINC000009252324 132311203 /nfs/dbraw/zinc/31/12/03/132311203.db2.gz PPRCTEGKUGPJMK-UHFFFAOYSA-N 0 0 449.583 2.671 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](C)N2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000009283968 132312294 /nfs/dbraw/zinc/31/22/94/132312294.db2.gz KXMICGWONRMBOB-GOSISDBHSA-N 0 0 443.569 2.796 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)[C@@H]1CC=CCC1 ZINC000009349314 132314239 /nfs/dbraw/zinc/31/42/39/132314239.db2.gz MEUBUERGEMLSAF-GOSISDBHSA-N 0 0 433.574 2.993 50 0 IFAARN O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000009421306 132316398 /nfs/dbraw/zinc/31/63/98/132316398.db2.gz OVQWRPVKQDPNEN-ZDUSSCGKSA-N 0 0 438.879 2.589 50 0 IFAARN Cc1cc(=O)n2c(n1)NC(N1CCN(c3cccc(Cl)c3)CC1)=N[C@H]2c1cccnc1 ZINC000009422487 132316530 /nfs/dbraw/zinc/31/65/30/132316530.db2.gz UPVFYRHVRHXCBE-HXUWFJFHSA-N 0 0 435.919 2.751 50 0 IFAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Br)cc1 ZINC000009464936 132318393 /nfs/dbraw/zinc/31/83/93/132318393.db2.gz OREURFQFBQHKAD-UHFFFAOYSA-N 0 0 432.318 2.996 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000009469344 132318692 /nfs/dbraw/zinc/31/86/92/132318692.db2.gz BLMOAKSKNJNFTJ-INIZCTEOSA-N 0 0 435.571 2.624 50 0 IFAARN CC[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000009487355 132319082 /nfs/dbraw/zinc/31/90/82/132319082.db2.gz BCGDBAMRJVSOMS-LJQANCHMSA-N 0 0 426.904 2.643 50 0 IFAARN COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000009508904 132319833 /nfs/dbraw/zinc/31/98/33/132319833.db2.gz KMYMCLZUVQVIAN-UHFFFAOYSA-N 0 0 445.541 2.569 50 0 IFAARN Cc1ccc(C)c(CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SCC2=O)c1 ZINC000009528070 132320374 /nfs/dbraw/zinc/32/03/74/132320374.db2.gz ZYXANZOIFWBSPS-UHFFFAOYSA-N 0 0 432.567 2.963 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 ZINC000009530885 132320903 /nfs/dbraw/zinc/32/09/03/132320903.db2.gz ZQIBRSOYEMJDGF-CQSZACIVSA-N 0 0 433.555 2.639 50 0 IFAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000009585466 132322398 /nfs/dbraw/zinc/32/23/98/132322398.db2.gz CYBSZVZHCNXXFQ-UHFFFAOYSA-N 0 0 443.459 2.612 50 0 IFAARN O=C(CSc1nnnn1C1CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009671156 132325009 /nfs/dbraw/zinc/32/50/09/132325009.db2.gz TUBVWGBRGXPYKV-UHFFFAOYSA-N 0 0 428.440 2.594 50 0 IFAARN O=C([C@H]1COc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2O1)N1CCCCC1 ZINC000009683554 132325708 /nfs/dbraw/zinc/32/57/08/132325708.db2.gz LIPYJKNHOIRQPI-JOCHJYFZSA-N 0 0 442.537 2.980 50 0 IFAARN Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)o1 ZINC000009731562 132327957 /nfs/dbraw/zinc/32/79/57/132327957.db2.gz QDFYUBFJOZTKNK-UHFFFAOYSA-N 0 0 425.510 2.919 50 0 IFAARN O=C(CCc1nnc2ccc(NCc3ccco3)nn21)N1CCN(c2ccccc2F)CC1 ZINC000009744377 132328125 /nfs/dbraw/zinc/32/81/25/132328125.db2.gz DXVAFHPKLWAPAO-UHFFFAOYSA-N 0 0 449.490 2.750 50 0 IFAARN CCCCN1C(=O)C[C@H](C(=O)N2CCN(c3ncccn3)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000009764365 132328645 /nfs/dbraw/zinc/32/86/45/132328645.db2.gz RPYHOAZVWPIQLN-UNMCSNQZSA-N 0 0 437.544 2.524 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1S(=O)(=O)NC1CC1 ZINC000009782608 132328942 /nfs/dbraw/zinc/32/89/42/132328942.db2.gz NAPJXWXSIMKNIW-UHFFFAOYSA-N 0 0 449.960 2.752 50 0 IFAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000009836122 132329767 /nfs/dbraw/zinc/32/97/67/132329767.db2.gz PJWRJXQPZRXDSI-UHFFFAOYSA-N 0 0 446.536 2.962 50 0 IFAARN O=C1C[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000009906782 132331042 /nfs/dbraw/zinc/33/10/42/132331042.db2.gz DBTAKELPQAOBBR-KRWDZBQOSA-N 0 0 447.413 2.888 50 0 IFAARN COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4cnccn4)CC3)s2)cc1OC ZINC000011545505 132337867 /nfs/dbraw/zinc/33/78/67/132337867.db2.gz WEZPDHDNVPCLIO-UHFFFAOYSA-N 0 0 425.514 2.888 50 0 IFAARN O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)N1CCCc2ccccc21 ZINC000011613186 132338127 /nfs/dbraw/zinc/33/81/27/132338127.db2.gz MHTTYNJDANUNCE-UHFFFAOYSA-N 0 0 432.505 2.647 50 0 IFAARN O=C(CS(=O)(=O)c1ccc(Br)s1)N1CCN(c2ccccc2F)CC1 ZINC000011666515 132338426 /nfs/dbraw/zinc/33/84/26/132338426.db2.gz IKKKXPLBRQQNOG-UHFFFAOYSA-N 0 0 447.351 2.772 50 0 IFAARN O=C(c1ccc(Br)o1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 ZINC000011697526 132339142 /nfs/dbraw/zinc/33/91/42/132339142.db2.gz VOPDFMFGQZAMQC-UHFFFAOYSA-N 0 0 429.278 2.933 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000011697697 132339266 /nfs/dbraw/zinc/33/92/66/132339266.db2.gz LFIMYOPHLIOTCT-UHFFFAOYSA-N 0 0 433.472 2.741 50 0 IFAARN Cc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000011796174 132340179 /nfs/dbraw/zinc/34/01/79/132340179.db2.gz MSRBPFFOPOBYCO-UHFFFAOYSA-N 0 0 433.549 2.714 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000011796651 132340253 /nfs/dbraw/zinc/34/02/53/132340253.db2.gz LNDCLJGKQYBHHT-UHFFFAOYSA-N 0 0 437.512 2.545 50 0 IFAARN O=C(CCc1csc(NC(=O)c2cccs2)n1)N1CCN(c2ncccn2)CC1 ZINC000011834975 132340507 /nfs/dbraw/zinc/34/05/07/132340507.db2.gz DYCQVTQKLDDKSU-UHFFFAOYSA-N 0 0 428.543 2.528 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)c1 ZINC000013008961 132342108 /nfs/dbraw/zinc/34/21/08/132342108.db2.gz NNTUFSIJBCDWPC-UHFFFAOYSA-N 0 0 436.516 2.567 50 0 IFAARN O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 ZINC000013009238 132342229 /nfs/dbraw/zinc/34/22/29/132342229.db2.gz FSDJDNFCWXZPBK-UHFFFAOYSA-N 0 0 446.536 2.840 50 0 IFAARN O=C(Cc1ccc(Cl)cc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000013036812 132342734 /nfs/dbraw/zinc/34/27/34/132342734.db2.gz BYSOJRXAYHLPBI-UHFFFAOYSA-N 0 0 433.903 2.755 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013038759 132342967 /nfs/dbraw/zinc/34/29/67/132342967.db2.gz ODYXHNOZHGNJIV-UHFFFAOYSA-N 0 0 449.477 2.594 50 0 IFAARN C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2ccccc2F)CC1 ZINC000013038913 132342980 /nfs/dbraw/zinc/34/29/80/132342980.db2.gz YNIBFZPQKVBEQN-CYBMUJFWSA-N 0 0 438.425 2.508 50 0 IFAARN Cc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000013040960 132343268 /nfs/dbraw/zinc/34/32/68/132343268.db2.gz TXXFHQYSOGTGCK-UHFFFAOYSA-N 0 0 441.597 2.891 50 0 IFAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O ZINC000013098101 132344499 /nfs/dbraw/zinc/34/44/99/132344499.db2.gz YOGFWVPITFSQLP-NRFANRHFSA-N 0 0 443.345 2.996 50 0 IFAARN O=c1c(Cl)c(N2CCN(Cc3nnc(-c4ccco4)o3)CC2)cnn1-c1ccccc1 ZINC000013117442 132345046 /nfs/dbraw/zinc/34/50/46/132345046.db2.gz XZBHMZJAEVNCNT-UHFFFAOYSA-N 0 0 438.875 2.851 50 0 IFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)CC2)cc1 ZINC000013346263 132346417 /nfs/dbraw/zinc/34/64/17/132346417.db2.gz UXQWRZUENDNEFX-UHFFFAOYSA-N 0 0 432.527 2.820 50 0 IFAARN O=C(NCc1noc(-c2ccccc2)n1)C1CCN(c2nc(Cl)nc3nc[nH]c32)CC1 ZINC000013552566 132349681 /nfs/dbraw/zinc/34/96/81/132349681.db2.gz ZOOSWXDXKUEWOA-UHFFFAOYSA-N 0 0 438.879 2.589 50 0 IFAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)N1CCN(c2ccccc2)CC1 ZINC000013723398 132354216 /nfs/dbraw/zinc/35/42/16/132354216.db2.gz MGVMVIOSCYGUEG-UHFFFAOYSA-N 0 0 432.524 2.851 50 0 IFAARN CN(C)C(=O)[C@H]1CN(C(=O)c2cccc(I)c2)c2ccccc2O1 ZINC000014198583 132356731 /nfs/dbraw/zinc/35/67/31/132356731.db2.gz NYZXNMJOSREVGG-MRXNPFEDSA-N 0 0 436.249 2.787 50 0 IFAARN COc1cc(CN2CCN(c3ccccn3)CC2)cc(I)c1O ZINC000016663111 132357051 /nfs/dbraw/zinc/35/70/51/132357051.db2.gz UEUNMZPWWAXTGZ-UHFFFAOYSA-N 0 0 425.270 2.723 50 0 IFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000021699130 518350979 /nfs/dbraw/zinc/35/09/79/518350979.db2.gz GFOOOHRLNUTDGY-UHFFFAOYSA-N 0 0 427.526 2.527 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2nc(-c3ccccc3C)no2)cc1 ZINC000012879431 518407617 /nfs/dbraw/zinc/40/76/17/518407617.db2.gz OPZFKVJHIJVTOM-AWEZNQCLSA-N 0 0 443.481 2.658 50 0 IFAARN CC(=O)c1cccc(NC(=O)CSc2ncc(C(=O)Nc3ccccc3)c(=O)n2C)c1 ZINC000012236798 518430490 /nfs/dbraw/zinc/43/04/90/518430490.db2.gz PLPFWKNFNSCGTH-UHFFFAOYSA-N 0 0 436.493 2.966 50 0 IFAARN CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)o1 ZINC000012601159 518495351 /nfs/dbraw/zinc/49/53/51/518495351.db2.gz IQZXAWXBBNQCHA-NSHDSACASA-N 0 0 435.483 2.651 50 0 IFAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2C=CC=NN21 ZINC000253487252 518592692 /nfs/dbraw/zinc/59/26/92/518592692.db2.gz HOZLIFOBQUNCMT-QXSJWSMHSA-N 0 0 430.302 2.778 50 0 IFAARN C=C(OCC)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1 ZINC000012391015 518654338 /nfs/dbraw/zinc/65/43/38/518654338.db2.gz ZPJFWZFDTBFWIL-KRWDZBQOSA-N 0 0 437.500 2.832 50 0 IFAARN CC(C)(C)NC(=O)CN1CCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 ZINC000036762440 518730770 /nfs/dbraw/zinc/73/07/70/518730770.db2.gz HBAVRAUGQYMMFP-UHFFFAOYSA-N 0 0 437.588 2.949 50 0 IFAARN CC(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036061762 519463212 /nfs/dbraw/zinc/46/32/12/519463212.db2.gz GBUNOIZELOVSIM-UHFFFAOYSA-N 0 0 443.551 2.883 50 0 IFAARN CC(=O)N1CCC(N(CCCN2CCOCC2)C(=S)Nc2cc(F)cc(F)c2)CC1 ZINC000020728906 519511182 /nfs/dbraw/zinc/51/11/82/519511182.db2.gz DEKRTEVYAPSMDF-UHFFFAOYSA-N 0 0 440.560 2.697 50 0 IFAARN CC(C)N(C(=O)CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1)c1ccccc1 ZINC000012342084 519559576 /nfs/dbraw/zinc/55/95/76/519559576.db2.gz NJHYYAKMLCLPQN-JOZSIVFUSA-N 0 0 435.517 2.841 50 0 IFAARN CC(C)CC(=O)N(C)CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000036016557 519573100 /nfs/dbraw/zinc/57/31/00/519573100.db2.gz KVVUCOZBEYBKGS-UHFFFAOYSA-N 0 0 431.581 2.760 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3sc4ncn(C)c(=O)c4c3C)ccc21 ZINC000012810975 519631200 /nfs/dbraw/zinc/63/12/00/519631200.db2.gz FZCYAQISMDAOKZ-GFCCVEGCSA-N 0 0 439.493 2.641 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC3CCCCC3)ccc21 ZINC000020232588 519633320 /nfs/dbraw/zinc/63/33/20/519633320.db2.gz NBNQPYVPGMRHNK-FQEVSTJZSA-N 0 0 435.590 2.738 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)[C@H](C)CC(=O)NCCc3ccc(C)cc3)ccc21 ZINC000021871943 519633450 /nfs/dbraw/zinc/63/34/50/519633450.db2.gz MFWAFGBXXVIUCA-QGZVFWFLSA-N 0 0 428.554 2.815 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)[C@@H](C)CC(=O)NCCc3ccc(C)cc3)ccc21 ZINC000021871938 519633541 /nfs/dbraw/zinc/63/35/41/519633541.db2.gz MFWAFGBXXVIUCA-KRWDZBQOSA-N 0 0 428.554 2.815 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)cc2C[C@H]1C ZINC000021867255 519639872 /nfs/dbraw/zinc/63/98/72/519639872.db2.gz OKIUCZRJNZZCSA-CABCVRRESA-N 0 0 425.514 2.604 50 0 IFAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)O[C@H](C)C(=O)Nc1ccc4c(c1)OCCO4)(C3)C2 ZINC000012852584 519642948 /nfs/dbraw/zinc/64/29/48/519642948.db2.gz VWCZATWHQPPPPO-GDDCAUNMSA-N 0 0 442.512 2.803 50 0 IFAARN CC(=O)N[C@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000012808657 519692937 /nfs/dbraw/zinc/69/29/37/519692937.db2.gz PUMSLMYPEBKLQG-UGHKADQRSA-N 0 0 430.313 2.671 50 0 IFAARN CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000012906360 519710077 /nfs/dbraw/zinc/71/00/77/519710077.db2.gz APRPMMCXJWCAFR-UHFFFAOYSA-N 0 0 441.553 2.671 50 0 IFAARN CC(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000021682241 519710310 /nfs/dbraw/zinc/71/03/10/519710310.db2.gz BVKUHDSBYIFMQU-UHFFFAOYSA-N 0 0 447.410 2.511 50 0 IFAARN CC(=O)Nc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000022511771 519717068 /nfs/dbraw/zinc/71/70/68/519717068.db2.gz OGKMUABKKPZAKZ-KRWDZBQOSA-N 0 0 433.505 2.501 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc32)cc1 ZINC000020486058 519721163 /nfs/dbraw/zinc/72/11/63/519721163.db2.gz NTYHCZMVUIDFRK-HSZRJFAPSA-N 0 0 443.507 2.899 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CC(=O)N4CCCC[C@@H]4C3=O)cc2)cc1 ZINC000021528279 519725804 /nfs/dbraw/zinc/72/58/04/519725804.db2.gz JLFIRTZZVVBOOP-OAQYLSRUSA-N 0 0 434.496 2.621 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CC(=O)N4CCCC[C@H]4C3=O)cc2)cc1 ZINC000021528281 519725957 /nfs/dbraw/zinc/72/59/57/519725957.db2.gz JLFIRTZZVVBOOP-NRFANRHFSA-N 0 0 434.496 2.621 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000012734082 519729879 /nfs/dbraw/zinc/72/98/79/519729879.db2.gz GAWOYVMHYOTEPX-UHFFFAOYSA-N 0 0 443.447 2.601 50 0 IFAARN CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000022694214 519729930 /nfs/dbraw/zinc/72/99/30/519729930.db2.gz VDQAPZLWPRDMTP-SFHVURJKSA-N 0 0 449.548 2.713 50 0 IFAARN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000012797771 519731704 /nfs/dbraw/zinc/73/17/04/519731704.db2.gz ZLTCJATXZHCMRX-QFIPXVFZSA-N 0 0 429.586 2.968 50 0 IFAARN CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)Cc2cccc(F)c2F)CC1=O ZINC000014539907 519732678 /nfs/dbraw/zinc/73/26/78/519732678.db2.gz MBJSOWGPBWFETP-IBGZPJMESA-N 0 0 431.483 2.815 50 0 IFAARN CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)c1 ZINC000021464963 519733171 /nfs/dbraw/zinc/73/31/71/519733171.db2.gz BQQQBCXPOGHTNT-UHFFFAOYSA-N 0 0 439.541 2.803 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1 ZINC000012228344 519742644 /nfs/dbraw/zinc/74/26/44/519742644.db2.gz AADGPDYUOLGZMG-UHFFFAOYSA-N 0 0 434.431 2.627 50 0 IFAARN CC(C)COc1cccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 ZINC000012617811 519764052 /nfs/dbraw/zinc/76/40/52/519764052.db2.gz OLZUSQIZESOHNS-UHFFFAOYSA-N 0 0 426.542 2.749 50 0 IFAARN CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CC(=O)N4CCC[C@H]4C3=O)cc2)cc1 ZINC000021527275 519779609 /nfs/dbraw/zinc/77/96/09/519779609.db2.gz SYQUAXMOXNNUMX-QFIPXVFZSA-N 0 0 435.524 2.737 50 0 IFAARN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccs3)nn2CCO)cc1 ZINC000042384613 519787183 /nfs/dbraw/zinc/78/71/83/519787183.db2.gz PNDOBENMMDHNKM-UHFFFAOYSA-N 0 0 433.555 2.967 50 0 IFAARN CC(C)[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000009666759 519797095 /nfs/dbraw/zinc/79/70/95/519797095.db2.gz REBHIRRCRVXRFA-NFBKMPQASA-N 0 0 441.484 2.721 50 0 IFAARN CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000041098157 519798034 /nfs/dbraw/zinc/79/80/34/519798034.db2.gz OPGLOLYUTULGIH-KSFYIVLOSA-N 0 0 437.496 2.590 50 0 IFAARN CC(C)c1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000012618042 519837945 /nfs/dbraw/zinc/83/79/45/519837945.db2.gz OKGPHXCWEZVUCJ-UHFFFAOYSA-N 0 0 426.542 2.603 50 0 IFAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)Nc2ccc(OC)cc2)C1=O ZINC000035534726 519849259 /nfs/dbraw/zinc/84/92/59/519849259.db2.gz WKPWWHNLBKXCON-UHFFFAOYSA-N 0 0 430.482 2.636 50 0 IFAARN CCCNC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012510715 519881136 /nfs/dbraw/zinc/88/11/36/519881136.db2.gz LXEJMOHICDOHET-UHFFFAOYSA-N 0 0 427.910 2.504 50 0 IFAARN CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1 ZINC000033310206 519886950 /nfs/dbraw/zinc/88/69/50/519886950.db2.gz IPYXKWOPOOMMLW-APWZRJJASA-N 0 0 431.537 2.757 50 0 IFAARN CCOCCCNC(=O)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)c1 ZINC000035458555 519895685 /nfs/dbraw/zinc/89/56/85/519895685.db2.gz AQQKDTHWCUFAAU-QFIPXVFZSA-N 0 0 435.524 2.994 50 0 IFAARN CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000021712857 519896967 /nfs/dbraw/zinc/89/69/67/519896967.db2.gz JNBPXYSJCHLXCA-HXUWFJFHSA-N 0 0 445.541 2.627 50 0 IFAARN CCNC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012931828 519899650 /nfs/dbraw/zinc/89/96/50/519899650.db2.gz OZJFFJLUZISQAE-UHFFFAOYSA-N 0 0 430.313 2.660 50 0 IFAARN CCN(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000012528964 519916660 /nfs/dbraw/zinc/91/66/60/519916660.db2.gz SFMOOLHJTVYNAX-HNNXBMFYSA-N 0 0 429.494 2.503 50 0 IFAARN CCCCC1CCC(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000012444719 519918315 /nfs/dbraw/zinc/91/83/15/519918315.db2.gz VCTBENHXOUPYQC-UHFFFAOYSA-N 0 0 436.622 2.646 50 0 IFAARN CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)cc1 ZINC000012746568 520048364 /nfs/dbraw/zinc/04/83/64/520048364.db2.gz XZAQOFWKJFIAHP-KRWDZBQOSA-N 0 0 427.929 2.810 50 0 IFAARN CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)N(C)C)cc1 ZINC000012746562 520048471 /nfs/dbraw/zinc/04/84/71/520048471.db2.gz XZAQOFWKJFIAHP-QGZVFWFLSA-N 0 0 427.929 2.810 50 0 IFAARN CCN(CC(=O)c1c(C)c(C(=O)OC)n(CC)c1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000036018985 520387577 /nfs/dbraw/zinc/38/75/77/520387577.db2.gz OKEJELKEEFYAOW-UHFFFAOYSA-N 0 0 436.530 2.814 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@H]1c1ccsc1 ZINC000035991612 520508344 /nfs/dbraw/zinc/50/83/44/520508344.db2.gz HZRVIOAAWWRAKP-IBGZPJMESA-N 0 0 449.573 2.927 50 0 IFAARN CCOC(=O)C1=C(COC(=O)CCC(=O)c2cccs2)NC(=O)N[C@H]1c1ccco1 ZINC000018171642 520520807 /nfs/dbraw/zinc/52/08/07/520520807.db2.gz WATLQYMLKLUOGA-SFHVURJKSA-N 0 0 432.454 2.719 50 0 IFAARN CCOC(=O)C1=C(N)N(C)c2ccccc2[C@@]12C(=O)OC(C)=C2C(=O)OCc1ccccc1 ZINC000020609262 520528473 /nfs/dbraw/zinc/52/84/73/520528473.db2.gz NPSPBIRUXSPYPL-VWLOTQADSA-N 0 0 448.475 2.682 50 0 IFAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc2C1 ZINC000022765383 520529676 /nfs/dbraw/zinc/52/96/76/520529676.db2.gz RBNJJURPYJPKLN-UHFFFAOYSA-N 0 0 432.542 2.983 50 0 IFAARN CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@@H](C(CC)CC)N2CCOCC2)c1 ZINC000012823845 520539761 /nfs/dbraw/zinc/53/97/61/520539761.db2.gz XBXSWYPBBRTXNR-FQEVSTJZSA-N 0 0 425.595 2.705 50 0 IFAARN CCN(CC)C(=O)c1cc(NC(=O)COC)ccc1N1CCCN(C(=O)CC(C)C)CC1 ZINC000036005804 520544296 /nfs/dbraw/zinc/54/42/96/520544296.db2.gz QKRTZQYDEPLJRD-UHFFFAOYSA-N 0 0 446.592 2.838 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)[C@H]1CCCCN21 ZINC000035445588 520556486 /nfs/dbraw/zinc/55/64/86/520556486.db2.gz QTHJWNLRHMSUKE-HXUWFJFHSA-N 0 0 426.561 2.887 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccco1)C(=O)[C@H]1CCCCN21 ZINC000035445652 520557473 /nfs/dbraw/zinc/55/74/73/520557473.db2.gz JIERMGLOXAOYNU-HXUWFJFHSA-N 0 0 438.528 2.784 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(OC)cc(OC)c1)C(=O)CO2 ZINC000035377013 520557654 /nfs/dbraw/zinc/55/76/54/520557654.db2.gz LQMYWRNIYLYIAP-UHFFFAOYSA-N 0 0 441.484 2.550 50 0 IFAARN CCCCN1C(=O)C[C@H](C(=O)Nc2nc(CC(N)=O)cs2)[C@@H]1c1ccc(OC)cc1 ZINC000013006974 520559752 /nfs/dbraw/zinc/55/97/52/520559752.db2.gz JYPWELMUUQJECK-LPHOPBHVSA-N 0 0 430.530 2.508 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CNC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3C2)CC1 ZINC000012408165 520561163 /nfs/dbraw/zinc/56/11/63/520561163.db2.gz PRHPVCXWYRXSFB-UHFFFAOYSA-N 0 0 446.935 2.691 50 0 IFAARN CCCCN1C(=O)[C@](NC(=O)c2cccc(OC)c2)(C(F)(F)F)C(C(=O)OC)=C1C ZINC000020582815 520564284 /nfs/dbraw/zinc/56/42/84/520564284.db2.gz IMVVZPYUUDQZBH-IBGZPJMESA-N 0 0 428.407 2.815 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000020664926 520570972 /nfs/dbraw/zinc/57/09/72/520570972.db2.gz NLTBMYSQBUMTEV-UHFFFAOYSA-N 0 0 448.516 2.720 50 0 IFAARN CCCCNC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012517523 520621799 /nfs/dbraw/zinc/62/17/99/520621799.db2.gz PCPMISGLAIYDCI-UHFFFAOYSA-N 0 0 441.937 2.894 50 0 IFAARN CCOC(=O)CNC(=O)CN1c2ccccc2S[C@H](c2ccc(OC)cc2)CC1=O ZINC000017297018 520780540 /nfs/dbraw/zinc/78/05/40/520780540.db2.gz XQSKCJHPOGGSRR-IBGZPJMESA-N 0 0 428.510 2.945 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 ZINC000012650121 520792699 /nfs/dbraw/zinc/79/26/99/520792699.db2.gz PJDWUEYKWCQVQU-UHFFFAOYSA-N 0 0 449.554 2.989 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)ncn3n2)cc1 ZINC000021027931 520807523 /nfs/dbraw/zinc/80/75/23/520807523.db2.gz JITWTWKMWPTLHL-UHFFFAOYSA-N 0 0 437.887 2.927 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCc1cccc(C)c1)N2C(C)=O ZINC000015775962 520812096 /nfs/dbraw/zinc/81/20/96/520812096.db2.gz JIDZYAMERFBDNS-JOCHJYFZSA-N 0 0 443.569 2.620 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000012211351 520819170 /nfs/dbraw/zinc/81/91/70/520819170.db2.gz BBUAZCVCOSRYQY-UHFFFAOYSA-N 0 0 429.542 2.574 50 0 IFAARN CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2)cc1 ZINC000011914762 520836376 /nfs/dbraw/zinc/83/63/76/520836376.db2.gz PLECXXNZQXENIH-UHFFFAOYSA-N 0 0 438.509 2.923 50 0 IFAARN CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000023134963 520840573 /nfs/dbraw/zinc/84/05/73/520840573.db2.gz OEJQVFSXSMAAPB-UHFFFAOYSA-N 0 0 444.898 2.812 50 0 IFAARN C=C1C(NCC(=O)NCCc2ccccc2Cl)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000020992475 520843413 /nfs/dbraw/zinc/84/34/13/520843413.db2.gz RDFPQQUPMASOEU-UHFFFAOYSA-N 0 0 435.908 2.901 50 0 IFAARN CC1=C(c2ccc(F)cc2)S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)C1=O ZINC000035504302 520843747 /nfs/dbraw/zinc/84/37/47/520843747.db2.gz YTUQIOIGJHAWSI-UHFFFAOYSA-N 0 0 446.500 2.832 50 0 IFAARN CCOC(=O)C[C@@H]1COCCN1C(=O)c1cc(COc2cccc3cccnc32)on1 ZINC000012592421 520854073 /nfs/dbraw/zinc/85/40/73/520854073.db2.gz LEELVQGPJMTBTC-MRXNPFEDSA-N 0 0 425.441 2.596 50 0 IFAARN CCCCOc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000015525289 520866579 /nfs/dbraw/zinc/86/65/79/520866579.db2.gz FDZLVUOUCDMVKA-INIZCTEOSA-N 0 0 432.542 2.876 50 0 IFAARN CCOC(=O)Cc1csc(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)n1 ZINC000018526495 520912981 /nfs/dbraw/zinc/91/29/81/520912981.db2.gz CICZQFIOTVGBTD-UHFFFAOYSA-N 0 0 436.555 2.943 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1 ZINC000009666775 520930087 /nfs/dbraw/zinc/93/00/87/520930087.db2.gz ZRFCKYRIHNROOQ-UHFFFAOYSA-N 0 0 435.480 2.834 50 0 IFAARN CCOc1ccc(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1OCC ZINC000012876684 520948740 /nfs/dbraw/zinc/94/87/40/520948740.db2.gz KVSZQISSSRTWJA-HJPURHCSSA-N 0 0 431.533 2.643 50 0 IFAARN CCOc1ccc(CCNC(=O)CCC(=O)N2CCCn3nc(C)cc32)cc1OCC ZINC000021532784 520949664 /nfs/dbraw/zinc/94/96/64/520949664.db2.gz RIBLBRGPQIDADA-UHFFFAOYSA-N 0 0 428.533 2.865 50 0 IFAARN CCOc1ccc(CCNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000020901433 520950289 /nfs/dbraw/zinc/95/02/89/520950289.db2.gz RGMNOLXXSDFQRK-QGZVFWFLSA-N 0 0 443.573 2.639 50 0 IFAARN CCOC(=O)N1CCN(CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012902226 520953179 /nfs/dbraw/zinc/95/31/79/520953179.db2.gz VHSLWDOUQUTZTJ-UHFFFAOYSA-N 0 0 443.875 2.711 50 0 IFAARN CCOC(=O)N1CCN([C@H](c2cccc(OC)c2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022696892 520959208 /nfs/dbraw/zinc/95/92/08/520959208.db2.gz KWPAGCQBVLJITQ-OAQYLSRUSA-N 0 0 429.517 2.754 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(I)c1)C2=O ZINC000012698850 520964321 /nfs/dbraw/zinc/96/43/21/520964321.db2.gz UKUKVUHICXLRDY-UHFFFAOYSA-N 0 0 441.269 2.730 50 0 IFAARN CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)cc1OC ZINC000021657536 520993770 /nfs/dbraw/zinc/99/37/70/520993770.db2.gz AQKICXQKBUYJNL-KRWDZBQOSA-N 0 0 425.485 2.722 50 0 IFAARN CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000013674546 520996187 /nfs/dbraw/zinc/99/61/87/520996187.db2.gz DTRWFYZWLJULHI-UHFFFAOYSA-N 0 0 438.933 2.690 50 0 IFAARN CCN(CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1)C(=O)OC(C)(C)C ZINC000036393905 521019538 /nfs/dbraw/zinc/01/95/38/521019538.db2.gz FANJJDLPKQEUCT-INIZCTEOSA-N 0 0 449.548 2.820 50 0 IFAARN CCOc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cccc4nonc43)CC2)cc1 ZINC000021116864 521019874 /nfs/dbraw/zinc/01/98/74/521019874.db2.gz PEIWWCMAKPAUAS-UHFFFAOYSA-N 0 0 444.513 2.685 50 0 IFAARN CC1CCN(S(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)n(C)c2)CC1 ZINC000035507794 521027220 /nfs/dbraw/zinc/02/72/20/521027220.db2.gz ILEKDJWLZVQQRS-UHFFFAOYSA-N 0 0 448.564 2.547 50 0 IFAARN CCOc1ccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021872763 521038817 /nfs/dbraw/zinc/03/88/17/521038817.db2.gz PWTZWFNPVGZELR-QHCPKHFHSA-N 0 0 440.500 2.546 50 0 IFAARN CCC[C@H](C)NC(=O)COC(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000022208127 521045531 /nfs/dbraw/zinc/04/55/31/521045531.db2.gz XSQRSHAXSDCJDV-KRWDZBQOSA-N 0 0 434.533 2.938 50 0 IFAARN CCOc1ccc(NC(=O)CN(C)C(=O)Cc2ccc3c(c2)OCCO3)cc1OCC ZINC000012896234 521056622 /nfs/dbraw/zinc/05/66/22/521056622.db2.gz NQDCOBHNSBUASD-UHFFFAOYSA-N 0 0 428.485 2.895 50 0 IFAARN CCOc1ccc(NC(=O)CN2CCN(Cc3ccc(F)cc3Cl)S2(=O)=O)cc1 ZINC000021634178 521061121 /nfs/dbraw/zinc/06/11/21/521061121.db2.gz CZXQKIMYGILJQS-UHFFFAOYSA-N 0 0 441.912 2.879 50 0 IFAARN CCOc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N(C)C ZINC000012690462 521074130 /nfs/dbraw/zinc/07/41/30/521074130.db2.gz AWKNBKZCJGTLLR-UHFFFAOYSA-N 0 0 445.541 2.644 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1S(=O)(=O)N(C)C ZINC000012749876 521103246 /nfs/dbraw/zinc/10/32/46/521103246.db2.gz VYHYLYCHWUYIFB-OAHLLOKOSA-N 0 0 435.477 2.539 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3OC)cc(-n3cnnn3)c2)C1 ZINC000014879670 521108000 /nfs/dbraw/zinc/10/80/00/521108000.db2.gz ONEHGVJWJHKTAP-MRXNPFEDSA-N 0 0 435.484 2.753 50 0 IFAARN CCOc1ccc(NCC(=O)N2CCCc3cc(OC)ccc32)cc1S(=O)(=O)N(C)C ZINC000012522685 521125747 /nfs/dbraw/zinc/12/57/47/521125747.db2.gz VOEABLRRPWUIDU-UHFFFAOYSA-N 0 0 447.557 2.736 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CCCCCC3)CC2)cc1 ZINC000012896770 521196932 /nfs/dbraw/zinc/19/69/32/521196932.db2.gz SXIUKBNLDHLRAN-SFHVURJKSA-N 0 0 437.606 2.619 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 ZINC000021682742 521200556 /nfs/dbraw/zinc/20/05/56/521200556.db2.gz YPMDBSFFFVBHPM-UHFFFAOYSA-N 0 0 447.557 2.778 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NC2CC2)cc1 ZINC000035559561 521216899 /nfs/dbraw/zinc/21/68/99/521216899.db2.gz UUJYEAGAPODBTB-NRFANRHFSA-N 0 0 441.553 2.992 50 0 IFAARN CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2[O-])[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000022853816 521233020 /nfs/dbraw/zinc/23/30/20/521233020.db2.gz YFHMPRVNQPFADD-KRWDZBQOSA-N 0 0 429.546 2.744 50 0 IFAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc3nnc(C)n3n2)cc1OCC ZINC000033271314 521240685 /nfs/dbraw/zinc/24/06/85/521240685.db2.gz XOXWZNSNZYFRDB-HNNXBMFYSA-N 0 0 433.472 2.890 50 0 IFAARN CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1OCC ZINC000012867363 521260368 /nfs/dbraw/zinc/26/03/68/521260368.db2.gz XYPQLIKJEKXSPL-AWEZNQCLSA-N 0 0 427.544 2.927 50 0 IFAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(S(C)(=O)=O)CC2)n1 ZINC000035912557 521310639 /nfs/dbraw/zinc/31/06/39/521310639.db2.gz IFHXRPLREDQKIX-UHFFFAOYSA-N 0 0 442.589 2.938 50 0 IFAARN CCCc1cc(C(=O)N2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)no1 ZINC000020450302 521352528 /nfs/dbraw/zinc/35/25/28/521352528.db2.gz TZIOHGODYDBYKP-IBGZPJMESA-N 0 0 440.544 2.778 50 0 IFAARN CCCc1cc(C(=O)N2CCC([C@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)n(C)n1 ZINC000011872363 521352996 /nfs/dbraw/zinc/35/29/96/521352996.db2.gz WFMOIYCFCPZRPB-QFIPXVFZSA-N 0 0 443.573 2.797 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCOC)S(=O)(=O)c2ccccc2)c1C ZINC000035993351 521362859 /nfs/dbraw/zinc/36/28/59/521362859.db2.gz HQVVXBWNXGRRPV-MRXNPFEDSA-N 0 0 436.530 2.717 50 0 IFAARN CCCCn1c(COC(=O)c2cccc(NC(C)=O)c2)nc2cc(S(N)(=O)=O)ccc21 ZINC000021197952 521364769 /nfs/dbraw/zinc/36/47/69/521364769.db2.gz ODRIUZOIUPGXOA-UHFFFAOYSA-N 0 0 444.513 2.799 50 0 IFAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)C[C@@H]2OC(=O)c3ccccc32)c(=O)[nH]c1=O ZINC000012927191 521367973 /nfs/dbraw/zinc/36/79/73/521367973.db2.gz BIOYOQZOHLVKRT-KRWDZBQOSA-N 0 0 442.516 2.600 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)Nc1cccc2ccccc21 ZINC000021116664 521396991 /nfs/dbraw/zinc/39/69/91/521396991.db2.gz MJPHTTATQCVSSF-UHFFFAOYSA-N 0 0 443.525 2.889 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)Nc1cccc2c1CCCC2 ZINC000021116672 521397550 /nfs/dbraw/zinc/39/75/50/521397550.db2.gz HDHABEXLNCSACO-UHFFFAOYSA-N 0 0 447.557 2.614 50 0 IFAARN CCN(Cc1cccs1)C(=O)CN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000012783481 521400647 /nfs/dbraw/zinc/40/06/47/521400647.db2.gz OESXQLZUQZYQCT-UHFFFAOYSA-N 0 0 427.617 2.601 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(OC)c3)CC2)cc1 ZINC000014247290 521410025 /nfs/dbraw/zinc/41/00/25/521410025.db2.gz BIJBYMZAYKETCB-SFHVURJKSA-N 0 0 445.585 2.981 50 0 IFAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccccc3C)oc1C)c(=O)n2C ZINC000021723096 521431595 /nfs/dbraw/zinc/43/15/95/521431595.db2.gz LEXFMSWPVBDMSU-UHFFFAOYSA-N 0 0 448.479 2.900 50 0 IFAARN CCCc1cnc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3Cl)CC2)nc1 ZINC000001033296 521447773 /nfs/dbraw/zinc/44/77/73/521447773.db2.gz XICHQAWIOPRJMX-UHFFFAOYSA-N 0 0 437.953 2.552 50 0 IFAARN CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)OC)=C(C)N=2 ZINC000022309620 521450256 /nfs/dbraw/zinc/45/02/56/521450256.db2.gz JVLBSOGCQNTBQF-GTVARFKMSA-N 0 0 440.546 2.868 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(c1ccc(F)cc1C)C2=O ZINC000021879099 521451737 /nfs/dbraw/zinc/45/17/37/521451737.db2.gz UPADLWUFEMHMBQ-QHCPKHFHSA-N 0 0 442.491 2.985 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(c1ccccc1F)C2=O ZINC000021879031 521451804 /nfs/dbraw/zinc/45/18/04/521451804.db2.gz GIYJXNJIVGLLRG-QFIPXVFZSA-N 0 0 428.464 2.677 50 0 IFAARN CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)COc2ccc(F)cc2)s1 ZINC000020486665 521500934 /nfs/dbraw/zinc/50/09/34/521500934.db2.gz LLZAHFLIWCIHHM-UHFFFAOYSA-N 0 0 436.490 2.910 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)cc1 ZINC000012237645 521502389 /nfs/dbraw/zinc/50/23/89/521502389.db2.gz VIKKXQPLLPFQIK-UHFFFAOYSA-N 0 0 431.452 2.706 50 0 IFAARN CCOc1ccccc1N1C[C@H](C(=O)N(C)CC(=O)Nc2ccc(OC)cc2)CC1=O ZINC000018002856 521520942 /nfs/dbraw/zinc/52/09/42/521520942.db2.gz ZUITVNADKZFKKA-MRXNPFEDSA-N 0 0 425.485 2.544 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 ZINC000012899310 521526838 /nfs/dbraw/zinc/52/68/38/521526838.db2.gz KLUBWSKKEFRFPX-UHFFFAOYSA-N 0 0 445.566 2.980 50 0 IFAARN CCN1C(=O)c2cc(C(=O)Nc3ccc(F)cc3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877407 521538289 /nfs/dbraw/zinc/53/82/89/521538289.db2.gz ZNBULSAXDKGRHP-QFIPXVFZSA-N 0 0 427.480 2.568 50 0 IFAARN CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCc1cccc(C)c1 ZINC000021919819 521538464 /nfs/dbraw/zinc/53/84/64/521538464.db2.gz JFSHAAXVGLMPLQ-RUZDIDTESA-N 0 0 432.524 2.617 50 0 IFAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(S(=O)(=O)CC)CC2)n1 ZINC000035908731 521538631 /nfs/dbraw/zinc/53/86/31/521538631.db2.gz OAIQAMVCRPKEGN-UHFFFAOYSA-N 0 0 428.562 2.548 50 0 IFAARN CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCCc1ccccc1C ZINC000021919947 521538827 /nfs/dbraw/zinc/53/88/27/521538827.db2.gz TVTPEFYFQJIHNN-AREMUKBSSA-N 0 0 446.551 2.659 50 0 IFAARN CCN1C2=C(C(=O)N(CCC(=O)NCc3ccco3)C2)[C@H](c2ccccc2Cl)NC1=O ZINC000035945384 521542993 /nfs/dbraw/zinc/54/29/93/521542993.db2.gz URUIZPDHYUIXJY-FQEVSTJZSA-N 0 0 442.903 2.822 50 0 IFAARN CCN1C2=C(C(=O)N(CCC(=O)NC3CC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035967581 521543283 /nfs/dbraw/zinc/54/32/83/521543283.db2.gz WSEHYFOZXNFDAK-GOSISDBHSA-N 0 0 436.434 2.557 50 0 IFAARN CCN1C2=C(C(=O)N([C@H](C)C(=O)NCc3ccco3)C2)[C@H](c2ccccc2Cl)NC1=O ZINC000035967720 521543620 /nfs/dbraw/zinc/54/36/20/521543620.db2.gz DTCRRSRWVOOAOG-YJYMSZOUSA-N 0 0 442.903 2.820 50 0 IFAARN CCOc1ccccc1NC(=O)[C@H](C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 ZINC000012765438 521548503 /nfs/dbraw/zinc/54/85/03/521548503.db2.gz FTGKYMYGEHPLSY-AWEZNQCLSA-N 0 0 443.529 2.855 50 0 IFAARN CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000023863543 521554358 /nfs/dbraw/zinc/55/43/58/521554358.db2.gz QMOOEGBEWTUDQR-UHFFFAOYSA-N 0 0 434.514 2.896 50 0 IFAARN CCCc1nnc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n32)s1 ZINC000021537160 521561282 /nfs/dbraw/zinc/56/12/82/521561282.db2.gz BPNOOOYULLWVAQ-UHFFFAOYSA-N 0 0 427.515 2.619 50 0 IFAARN CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000012794148 521565261 /nfs/dbraw/zinc/56/52/61/521565261.db2.gz DTFQIILKILBFJX-NRFANRHFSA-N 0 0 427.482 2.647 50 0 IFAARN CCC(CC)[C@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)N1CCOCC1 ZINC000022899048 521616855 /nfs/dbraw/zinc/61/68/55/521616855.db2.gz KRDJYVKZIRGDHA-NRFANRHFSA-N 0 0 426.561 2.925 50 0 IFAARN CCCn1c2ccccc2n(CC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1=O ZINC000022358478 521638633 /nfs/dbraw/zinc/63/86/33/521638633.db2.gz HSBMWDVAOWDIIC-UHFFFAOYSA-N 0 0 447.461 2.976 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 ZINC000012817049 521690426 /nfs/dbraw/zinc/69/04/26/521690426.db2.gz QHIFIXQOSWJKDF-FQEVSTJZSA-N 0 0 449.960 2.608 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1=O ZINC000012635046 521691343 /nfs/dbraw/zinc/69/13/43/521691343.db2.gz JSBQDPZKDURWMP-UHFFFAOYSA-N 0 0 444.513 2.711 50 0 IFAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4c(C)cc(C)cc4C)c(=O)c3s2)CC1 ZINC000021886456 521700904 /nfs/dbraw/zinc/70/09/04/521700904.db2.gz HXFHKLQCQMYFQK-UHFFFAOYSA-N 0 0 440.573 2.559 50 0 IFAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4cc(Cl)ccc4C)c(=O)c3s2)CC1 ZINC000021886389 521701013 /nfs/dbraw/zinc/70/10/13/521701013.db2.gz NQCFEOSDUDNFOZ-UHFFFAOYSA-N 0 0 446.964 2.595 50 0 IFAARN CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)sc2C)C1 ZINC000035555931 521744601 /nfs/dbraw/zinc/74/46/01/521744601.db2.gz IKLXUMPWSOEFRC-CQSZACIVSA-N 0 0 438.575 2.911 50 0 IFAARN CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)sc2C)C1 ZINC000035555935 521746968 /nfs/dbraw/zinc/74/69/68/521746968.db2.gz IKLXUMPWSOEFRC-AWEZNQCLSA-N 0 0 438.575 2.911 50 0 IFAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000012770046 521755869 /nfs/dbraw/zinc/75/58/69/521755869.db2.gz HPDVJZMQOYINHB-UHFFFAOYSA-N 0 0 442.493 2.937 50 0 IFAARN CCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1 ZINC000033021258 521766923 /nfs/dbraw/zinc/76/69/23/521766923.db2.gz KWNBPAPVZGKMSV-MRXNPFEDSA-N 0 0 443.525 2.619 50 0 IFAARN COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(C(=O)Cc1ccc(SC)cc1)CC2 ZINC000012281040 521775235 /nfs/dbraw/zinc/77/52/35/521775235.db2.gz LCJXYUQCWFVUET-UHFFFAOYSA-N 0 0 444.553 2.771 50 0 IFAARN CCc1cccc2c(C(=O)CN3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c[nH]c21 ZINC000035392684 521788120 /nfs/dbraw/zinc/78/81/20/521788120.db2.gz OLDOSMJKIYLYQH-QHCPKHFHSA-N 0 0 433.508 2.897 50 0 IFAARN COC(=O)c1c2c(sc1S(=O)(=O)NC1CC1)CN(C(=O)c1ccc(C)c(C)c1)CC2 ZINC000012278442 521790232 /nfs/dbraw/zinc/79/02/32/521790232.db2.gz DVAPJPRPPUKEAR-UHFFFAOYSA-N 0 0 448.566 2.791 50 0 IFAARN CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)NC4CCCC4)CC3)c(C)o2)cc1 ZINC000021020297 521796036 /nfs/dbraw/zinc/79/60/36/521796036.db2.gz FIUGFJPZMBLXEG-UHFFFAOYSA-N 0 0 425.533 2.779 50 0 IFAARN COC(=O)c1cc(CNC(=O)[C@@H]2CCOC(C)(C)C2)cc(NC(=O)c2cc(C)nn2C)c1 ZINC000012162550 521850910 /nfs/dbraw/zinc/85/09/10/521850910.db2.gz MTOHBEQQNMCLGG-MRXNPFEDSA-N 0 0 442.516 2.589 50 0 IFAARN CCc1ccccc1N1C(=O)CN(S(=O)(=O)CC)C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000020928336 521851845 /nfs/dbraw/zinc/85/18/45/521851845.db2.gz SDGRWFQWTBFJSP-HSZRJFAPSA-N 0 0 449.617 2.845 50 0 IFAARN CCc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000020529406 521861973 /nfs/dbraw/zinc/86/19/73/521861973.db2.gz IFICXBNXYLIWRD-OAHLLOKOSA-N 0 0 429.542 2.854 50 0 IFAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000012819066 521869176 /nfs/dbraw/zinc/86/91/76/521869176.db2.gz ODNMYYVYNDPVAL-UHFFFAOYSA-N 0 0 431.334 2.803 50 0 IFAARN COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000015083697 521896593 /nfs/dbraw/zinc/89/65/93/521896593.db2.gz KGEMNIQVUIEFHD-UHFFFAOYSA-N 0 0 435.429 2.777 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2C)cn1C ZINC000035375919 521907710 /nfs/dbraw/zinc/90/77/10/521907710.db2.gz VQWGFDOWDYBGAQ-MRXNPFEDSA-N 0 0 439.921 2.565 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C2=O ZINC000021878259 521919948 /nfs/dbraw/zinc/91/99/48/521919948.db2.gz NFPWWZWVTHFMSN-DEOSSOPVSA-N 0 0 438.528 2.842 50 0 IFAARN CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@H](C)c2ccc(OC)cc2)c1=O ZINC000012150341 521926541 /nfs/dbraw/zinc/92/65/41/521926541.db2.gz KEEBOMLHUDHMOY-QGZVFWFLSA-N 0 0 433.508 2.950 50 0 IFAARN COC(=O)c1ccc(C=CC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)cc1 ZINC000014572039 521934526 /nfs/dbraw/zinc/93/45/26/521934526.db2.gz OTTRNFKGDNHXRE-QHSLDKKCSA-N 0 0 447.491 2.931 50 0 IFAARN CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)N(C)Cc3cccs3)cc2)CC1 ZINC000012432289 521961047 /nfs/dbraw/zinc/96/10/47/521961047.db2.gz XTGICDFBSKNZRE-UHFFFAOYSA-N 0 0 437.587 2.670 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)OCCCc2cccnc2)c1 ZINC000012543696 521975583 /nfs/dbraw/zinc/97/55/83/521975583.db2.gz BKVWGLTUFJXOGC-UHFFFAOYSA-N 0 0 427.320 2.884 50 0 IFAARN COC(=O)c1ccc(CNC(=O)C[C@@H](NC(N)=O)c2cccc(Br)c2)cc1 ZINC000032999835 522020904 /nfs/dbraw/zinc/02/09/04/522020904.db2.gz LCRQFMKLKIYXQR-MRXNPFEDSA-N 0 0 434.290 2.652 50 0 IFAARN COC(=O)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 ZINC000012910905 522024472 /nfs/dbraw/zinc/02/44/72/522024472.db2.gz HTPHNTSNBWBQEB-QGZVFWFLSA-N 0 0 436.555 2.560 50 0 IFAARN COC(=O)c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000012860550 522026377 /nfs/dbraw/zinc/02/63/77/522026377.db2.gz CZLBFZLFMPIEKF-CQSZACIVSA-N 0 0 442.946 2.658 50 0 IFAARN COCCn1c(CN(C(=O)C2CC2)C(C)C)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036039864 522065770 /nfs/dbraw/zinc/06/57/70/522065770.db2.gz QZMKSROSPSAOHS-UHFFFAOYSA-N 0 0 437.537 2.790 50 0 IFAARN COCCn1c(CN2CCN(Cc3ccccc3)CC2)cnc1S(=O)(=O)CCC(C)C ZINC000020451595 522067914 /nfs/dbraw/zinc/06/79/14/522067914.db2.gz PFVRIPKDFQDUET-UHFFFAOYSA-N 0 0 448.633 2.667 50 0 IFAARN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 ZINC000022907572 522086380 /nfs/dbraw/zinc/08/63/80/522086380.db2.gz IBZITHODTCDIMZ-NRFANRHFSA-N 0 0 447.491 2.921 50 0 IFAARN CC[C@@H](C)N(CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1ccco1 ZINC000020984998 522090179 /nfs/dbraw/zinc/09/01/79/522090179.db2.gz LEYLKVTUYQWTQA-CQSZACIVSA-N 0 0 436.559 2.670 50 0 IFAARN COc1cc(C(=O)NC(=S)Nc2ccc(Br)cn2)cc(OC)c1OC ZINC000000881663 522099727 /nfs/dbraw/zinc/09/97/27/522099727.db2.gz QPAAPYOPTCVKPY-UHFFFAOYSA-N 0 0 426.292 2.997 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)N(CC)CC)CC3)c(C)s2)no1 ZINC000035502695 522143036 /nfs/dbraw/zinc/14/30/36/522143036.db2.gz SGQIRJFUKBGSDJ-UHFFFAOYSA-N 0 0 440.591 2.938 50 0 IFAARN CC[C@@H](C)NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 ZINC000033024605 522143674 /nfs/dbraw/zinc/14/36/74/522143674.db2.gz CRSINJWQZARIQT-CYBMUJFWSA-N 0 0 445.545 2.566 50 0 IFAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)N[C@@H](C)CC)CC3)c2)no1 ZINC000033086705 522145640 /nfs/dbraw/zinc/14/56/40/522145640.db2.gz XRXBWVPSKNGLAK-HNNXBMFYSA-N 0 0 434.562 2.923 50 0 IFAARN COCCn1nc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1=O ZINC000021963506 522146801 /nfs/dbraw/zinc/14/68/01/522146801.db2.gz JVRSQGBNLSCXCN-UHFFFAOYSA-N 0 0 447.470 2.812 50 0 IFAARN CC[C@H](CN1CCOCC1)NC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000021538903 522171314 /nfs/dbraw/zinc/17/13/14/522171314.db2.gz CYXJVXGXEZXPRC-GOSISDBHSA-N 0 0 429.590 2.649 50 0 IFAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012895566 522213275 /nfs/dbraw/zinc/21/32/75/522213275.db2.gz SWFNMAGFJAJSFO-AYHJJNSGSA-N 0 0 440.656 2.965 50 0 IFAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c32)cc1 ZINC000014417883 522253980 /nfs/dbraw/zinc/25/39/80/522253980.db2.gz PTLUZDOHSQQXEI-GFCCVEGCSA-N 0 0 444.513 2.974 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)ccc1OC ZINC000012795716 522257052 /nfs/dbraw/zinc/25/70/52/522257052.db2.gz XQMWDWWVIZDXPH-KRWDZBQOSA-N 0 0 446.525 2.742 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)ccc1Cl ZINC000012765387 522264040 /nfs/dbraw/zinc/26/40/40/522264040.db2.gz ASYNYUHIRLLDEP-INIZCTEOSA-N 0 0 430.357 2.934 50 0 IFAARN COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 ZINC000024609075 522270262 /nfs/dbraw/zinc/27/02/62/522270262.db2.gz VKXDKRTYPACQFE-UHFFFAOYSA-N 0 0 430.526 2.962 50 0 IFAARN COc1cc(CCC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1OC ZINC000023561135 522325037 /nfs/dbraw/zinc/32/50/37/522325037.db2.gz YTQLOHUVSOYVLJ-HXUWFJFHSA-N 0 0 446.519 2.974 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)cc(OC)c1)C(=O)OC ZINC000020761407 522375553 /nfs/dbraw/zinc/37/55/53/522375553.db2.gz QATGDIKBGJSNQD-ORPRQENYSA-N 0 0 430.505 2.672 50 0 IFAARN COc1cc(CNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1OCc1ccccc1 ZINC000018160817 522410204 /nfs/dbraw/zinc/41/02/04/522410204.db2.gz YLAUDMHCLYLUEP-WOJBJXKFSA-N 0 0 434.492 2.842 50 0 IFAARN COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012612103 522450037 /nfs/dbraw/zinc/45/00/37/522450037.db2.gz DQMVVNKUHHXWRT-ZDUSSCGKSA-N 0 0 437.495 2.547 50 0 IFAARN CN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000021532055 522476076 /nfs/dbraw/zinc/47/60/76/522476076.db2.gz CFVZATIPKFJYET-UHFFFAOYSA-N 0 0 449.960 2.594 50 0 IFAARN CN(CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)C(=O)c1ccco1 ZINC000012879959 522476238 /nfs/dbraw/zinc/47/62/38/522476238.db2.gz GQJKZZFFIZQGOL-WJDWOHSUSA-N 0 0 447.900 2.858 50 0 IFAARN COc1cc(COC(=O)c2ccc(CCNS(C)(=O)=O)cc2)ccc1OC(F)F ZINC000012904949 522497610 /nfs/dbraw/zinc/49/76/10/522497610.db2.gz PZIVKFRKYHFTAL-UHFFFAOYSA-N 0 0 429.441 2.745 50 0 IFAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000012542836 522506464 /nfs/dbraw/zinc/50/64/64/522506464.db2.gz IQEMLLDOFGPNPA-UHFFFAOYSA-N 0 0 441.912 2.575 50 0 IFAARN COc1cc(Cl)c(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035300743 522512281 /nfs/dbraw/zinc/51/22/81/522512281.db2.gz XBOVWAXHIBGDGJ-UHFFFAOYSA-N 0 0 443.978 2.664 50 0 IFAARN COc1cc(Cl)c(C)cc1NCC(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000021368182 522519897 /nfs/dbraw/zinc/51/98/97/522519897.db2.gz QPXVGIZUGHXFJV-UHFFFAOYSA-N 0 0 425.938 2.636 50 0 IFAARN CN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000032934651 522520946 /nfs/dbraw/zinc/52/09/46/522520946.db2.gz AFIQAUATTQOYOV-UHFFFAOYSA-N 0 0 425.869 2.623 50 0 IFAARN COc1cc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc(OC)c1 ZINC000021871829 522669976 /nfs/dbraw/zinc/66/99/76/522669976.db2.gz BTLBDVJKHAZXRV-AWEZNQCLSA-N 0 0 446.525 2.804 50 0 IFAARN COc1cc(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc(OC)c1 ZINC000035455988 522674619 /nfs/dbraw/zinc/67/46/19/522674619.db2.gz VMCLTKJXDVVZMO-UHFFFAOYSA-N 0 0 448.523 2.766 50 0 IFAARN COCC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(F)cc1 ZINC000035960536 522719561 /nfs/dbraw/zinc/71/95/61/522719561.db2.gz ARMCMUSOYCXQJF-HXUWFJFHSA-N 0 0 443.475 2.625 50 0 IFAARN COCC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1F ZINC000035961019 522720505 /nfs/dbraw/zinc/72/05/05/522720505.db2.gz JMUNQDWOQUSKDL-HXUWFJFHSA-N 0 0 443.475 2.625 50 0 IFAARN COCC(=O)N1C[C@@H](c2ccc(OC)c(OC)c2)C[C@H](C(=O)NCc2ccccc2)C1 ZINC000034709347 522752903 /nfs/dbraw/zinc/75/29/03/522752903.db2.gz DYSSTWZAVRQXJD-PMACEKPBSA-N 0 0 426.513 2.599 50 0 IFAARN CN(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Br)cc1 ZINC000022471269 522768165 /nfs/dbraw/zinc/76/81/65/522768165.db2.gz STNVLLGPEDPDAI-UHFFFAOYSA-N 0 0 443.301 2.578 50 0 IFAARN COCC(=O)Nc1cc2ncn(Cc3ccc(F)cc3)c2c(C(=O)NC2CCOCC2)c1 ZINC000012151323 522782336 /nfs/dbraw/zinc/78/23/36/522782336.db2.gz VERILOVISPONQI-UHFFFAOYSA-N 0 0 440.475 2.717 50 0 IFAARN CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O ZINC000008969298 534663572 /nfs/dbraw/zinc/66/35/72/534663572.db2.gz LRHWXLHDLZFPIW-CJFMBICVSA-N 0 0 432.524 2.801 50 0 IFAARN CCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C ZINC000012892684 522833475 /nfs/dbraw/zinc/83/34/75/522833475.db2.gz RVCBISNRLBCNKN-UHFFFAOYSA-N 0 0 437.518 2.606 50 0 IFAARN COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000024980720 522869005 /nfs/dbraw/zinc/86/90/05/522869005.db2.gz IPFFBMKANSLYFR-NHYWBVRUSA-N 0 0 433.313 2.694 50 0 IFAARN COC(=O)C1CCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)CC1 ZINC000012100217 522908939 /nfs/dbraw/zinc/90/89/39/522908939.db2.gz IYJLIDQVHOLRKW-AREMUKBSSA-N 0 0 448.519 2.782 50 0 IFAARN COc1cc([C@@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)NCC2CC2)cc(OC)c1OC ZINC000036044651 522927580 /nfs/dbraw/zinc/92/75/80/522927580.db2.gz VWGPEPSCESQRNI-DLBZAZTESA-N 0 0 433.549 2.762 50 0 IFAARN CN(CCc1noc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)C(=O)Nc1ccccc1 ZINC000033277847 522995782 /nfs/dbraw/zinc/99/57/82/522995782.db2.gz ZDEVWQZDSMCHSZ-UHFFFAOYSA-N 0 0 435.484 2.915 50 0 IFAARN COc1cc2nc(CN3CCOCC3)n(Cc3ccc4ccccc4n3)c(=O)c2cc1OC ZINC000012517032 523064717 /nfs/dbraw/zinc/06/47/17/523064717.db2.gz POMBAEXVTVDAQE-UHFFFAOYSA-N 0 0 446.507 2.842 50 0 IFAARN COc1cc2ncn(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(=O)c2cc1OC ZINC000020762748 523069657 /nfs/dbraw/zinc/06/96/57/523069657.db2.gz AKSZIPCZYVQPNW-UHFFFAOYSA-N 0 0 440.887 2.907 50 0 IFAARN COc1ccc(-c2c3c(cn2-c2cccc(NC(C)=O)c2)n(C)c(=O)n(C)c3=O)cc1OC ZINC000020745262 523081053 /nfs/dbraw/zinc/08/10/53/523081053.db2.gz UJGBWOSXLQPXFW-UHFFFAOYSA-N 0 0 448.479 2.671 50 0 IFAARN CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCCNC(C)=O)c21 ZINC000011839690 523083207 /nfs/dbraw/zinc/08/32/07/523083207.db2.gz PVWVVKPWRVHMNR-UHFFFAOYSA-N 0 0 437.500 2.556 50 0 IFAARN CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCc3cccc(C)c3)cc2)c2cccnc21 ZINC000021153063 523101114 /nfs/dbraw/zinc/10/11/14/523101114.db2.gz FQFBANBVPQZMEK-UHFFFAOYSA-N 0 0 428.492 2.865 50 0 IFAARN CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCc3cccc(OC)c3)cc2)c2cccnc21 ZINC000021153071 523102363 /nfs/dbraw/zinc/10/23/63/523102363.db2.gz DGHCFOZEBICIQV-UHFFFAOYSA-N 0 0 444.491 2.565 50 0 IFAARN CCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O ZINC000033140908 523108469 /nfs/dbraw/zinc/10/84/69/523108469.db2.gz VHHWQTWXSVIEJO-UHFFFAOYSA-N 0 0 447.948 2.840 50 0 IFAARN CCn1c(CCC(=O)NCc2cccc(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012582776 523178768 /nfs/dbraw/zinc/17/87/68/523178768.db2.gz ZMQSEIGHWSPTEG-UHFFFAOYSA-N 0 0 444.557 2.564 50 0 IFAARN COc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cs2)cc1OC ZINC000012913714 523189812 /nfs/dbraw/zinc/18/98/12/523189812.db2.gz PNDZDNPFGSUBEH-LBPRGKRZSA-N 0 0 447.538 2.966 50 0 IFAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCCOC(C)C)c(C)o2)cc1OC ZINC000020241727 523213815 /nfs/dbraw/zinc/21/38/15/523213815.db2.gz OHUYXDHGLLUUHQ-PMERELPUSA-N 0 0 438.546 2.847 50 0 IFAARN CCn1c(SCC(=O)NCCCN2CCCC2=O)nc2sc3c(c2c1=O)CCCC3 ZINC000012908182 523220546 /nfs/dbraw/zinc/22/05/46/523220546.db2.gz UHVCRKWYFJZAIH-UHFFFAOYSA-N 0 0 448.614 2.578 50 0 IFAARN CCn1c(SCC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)nnc1-c1ccncc1 ZINC000012850419 523232777 /nfs/dbraw/zinc/23/27/77/523232777.db2.gz QONKXMBKHFLLHI-UHFFFAOYSA-N 0 0 425.474 2.537 50 0 IFAARN CN(Cc1ccc(Cl)s1)C(=O)COC(=O)CCc1nc(=O)c2ccccc2n1C ZINC000023222402 523233042 /nfs/dbraw/zinc/23/30/42/523233042.db2.gz NEZQFYNEDOGVPZ-UHFFFAOYSA-N 0 0 433.917 2.783 50 0 IFAARN COC(=O)CSc1nc2c(cc(OC)c(OC)c2OC)c(=O)n1-c1ccccc1F ZINC000035924803 523247966 /nfs/dbraw/zinc/24/79/66/523247966.db2.gz QJEXJMNKRPQOKB-UHFFFAOYSA-N 0 0 434.445 2.816 50 0 IFAARN COC(=O)CSc1nc2c(cc(OC)c(OC)c2OC)c(=O)n1-c1cccc(OC)c1 ZINC000035924861 523248444 /nfs/dbraw/zinc/24/84/44/523248444.db2.gz RDEDOVWVUVNIML-UHFFFAOYSA-N 0 0 446.481 2.685 50 0 IFAARN COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccco5)CC4)nn32)cc1 ZINC000033010038 523268033 /nfs/dbraw/zinc/26/80/33/523268033.db2.gz RKRDQACMLSFGCT-UHFFFAOYSA-N 0 0 432.484 2.926 50 0 IFAARN COC(=O)C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000012877354 523270524 /nfs/dbraw/zinc/27/05/24/523270524.db2.gz YJYDRGXSKOXSBC-OAQYLSRUSA-N 0 0 440.521 2.881 50 0 IFAARN COc1ccc(-c2noc(CCC(=O)O[C@H](C)C(=O)N3CCC(C)CC3)n2)cc1OC ZINC000022013128 523282052 /nfs/dbraw/zinc/28/20/52/523282052.db2.gz IFXKDUAKYDUKBW-OAHLLOKOSA-N 0 0 431.489 2.877 50 0 IFAARN COc1ccc(-c2noc(CN3CCN(c4cccc(C)n4)CC3)n2)c(OC)c1OC ZINC000012581978 523289686 /nfs/dbraw/zinc/28/96/86/523289686.db2.gz ANEDEKNYKROLRF-UHFFFAOYSA-N 0 0 425.489 2.788 50 0 IFAARN COc1ccc(-c2noc(COC(=O)c3cc(S(=O)(=O)N(C)C)ccc3C)n2)cc1 ZINC000021408465 523293137 /nfs/dbraw/zinc/29/31/37/523293137.db2.gz JPDROHFBGIVMMW-UHFFFAOYSA-N 0 0 431.470 2.661 50 0 IFAARN COc1ccc(-n2c3nc4c(c(=O)n(C)c(=O)n4C)n3c(C)c2-c2ccc(C)cc2)cc1 ZINC000012461924 523324374 /nfs/dbraw/zinc/32/43/74/523324374.db2.gz YCTNDHXXXZXQNK-UHFFFAOYSA-N 0 0 429.480 2.968 50 0 IFAARN COc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccccc2C(F)(F)F)c3=O)cc1 ZINC000016955142 523354698 /nfs/dbraw/zinc/35/46/98/523354698.db2.gz RKLCIEUSGBGWJO-UHFFFAOYSA-N 0 0 444.373 2.643 50 0 IFAARN COCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000021712340 523361031 /nfs/dbraw/zinc/36/10/31/523361031.db2.gz HXKVTWOGYJLESJ-HXUWFJFHSA-N 0 0 439.512 2.705 50 0 IFAARN COCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000021712292 523361251 /nfs/dbraw/zinc/36/12/51/523361251.db2.gz KASUOVQUVMIRLM-HXUWFJFHSA-N 0 0 427.476 2.835 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000036041593 523361274 /nfs/dbraw/zinc/36/12/74/523361274.db2.gz YGJYNGRWRYQLOK-VXKWHMMOSA-N 0 0 426.513 2.712 50 0 IFAARN COc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000012886068 523393365 /nfs/dbraw/zinc/39/33/65/523393365.db2.gz HBQUHFZMVVBXFM-OUOPCGENSA-N 0 0 436.574 2.670 50 0 IFAARN CN(Cc1ccco1)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C ZINC000012603573 523423398 /nfs/dbraw/zinc/42/33/98/523423398.db2.gz VKDDQJSLKACUER-UHFFFAOYSA-N 0 0 444.557 2.932 50 0 IFAARN CCn1cc(S(=O)(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccnn2CC)cn1 ZINC000020602500 523443030 /nfs/dbraw/zinc/44/30/30/523443030.db2.gz JCQJHISOMHTUOA-UHFFFAOYSA-N 0 0 447.561 2.570 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccc(C)cc1 ZINC000021713670 523487463 /nfs/dbraw/zinc/48/74/63/523487463.db2.gz RCLLINLKEDRAJZ-UHFFFAOYSA-N 0 0 435.459 2.514 50 0 IFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1 ZINC000012757155 523563636 /nfs/dbraw/zinc/56/36/36/523563636.db2.gz VMSJCSPAKQPLNW-VAWYXSNFSA-N 0 0 430.508 2.834 50 0 IFAARN CO[C@@H]1CCCN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)C1 ZINC000012150531 523585949 /nfs/dbraw/zinc/58/59/49/523585949.db2.gz CKQWAJMSWBLIBI-UTKZUKDTSA-N 0 0 438.446 2.892 50 0 IFAARN COc1ccc(C(=O)Cn2ncc(Br)c(Br)c2=O)c(OC)c1 ZINC000023558248 523597457 /nfs/dbraw/zinc/59/74/57/523597457.db2.gz KBYQBQJNYOPGBL-UHFFFAOYSA-N 0 0 432.068 2.668 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC)cc1 ZINC000041157927 523598298 /nfs/dbraw/zinc/59/82/98/523598298.db2.gz FOMOXFIJVFWWSG-LEWJYISDSA-N 0 0 426.513 2.740 50 0 IFAARN CCn1nc(C)c(CNC(=O)c2cc(OC)ccc2OC2CCN(C(C)=O)CC2)c1C ZINC000012432515 523644409 /nfs/dbraw/zinc/64/44/09/523644409.db2.gz YHLJSAPMOUQVIN-UHFFFAOYSA-N 0 0 428.533 2.848 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000035948437 523654885 /nfs/dbraw/zinc/65/48/85/523654885.db2.gz LDVXLSLXGKGZGE-SFHVURJKSA-N 0 0 445.541 2.556 50 0 IFAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)CCNC(=O)c1cccc(C)c1 ZINC000012807068 523657346 /nfs/dbraw/zinc/65/73/46/523657346.db2.gz UVDJPYXJCAYDDO-UHFFFAOYSA-N 0 0 425.529 2.845 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cc(C)cc(C)c1 ZINC000035374040 523670468 /nfs/dbraw/zinc/67/04/68/523670468.db2.gz NLGYEBBEMHPUEN-UHFFFAOYSA-N 0 0 445.523 2.992 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)Nc1ccccc1C ZINC000035373930 523670848 /nfs/dbraw/zinc/67/08/48/523670848.db2.gz RGGGXAZVOTYLSU-UHFFFAOYSA-N 0 0 445.523 2.878 50 0 IFAARN COCCN(CCC(=O)NCc1cccnc1)C(=O)c1cc(-c2cccc(OC)c2)on1 ZINC000036002455 523689972 /nfs/dbraw/zinc/68/99/72/523689972.db2.gz DSTVQIULEZKDRK-UHFFFAOYSA-N 0 0 438.484 2.540 50 0 IFAARN CN1C(=O)c2cc(C(=O)NC3CCCCCC3)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021874667 523728551 /nfs/dbraw/zinc/72/85/51/523728551.db2.gz SVAAMVNSKLFMNN-HSZRJFAPSA-N 0 0 429.565 2.629 50 0 IFAARN CN1C(=O)c2cc(C(=O)NCc3cccs3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021875468 523731154 /nfs/dbraw/zinc/73/11/54/523731154.db2.gz IPXQXNMUUFKUMM-JOCHJYFZSA-N 0 0 443.573 2.558 50 0 IFAARN CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCc1ccc(Cl)cc1 ZINC000021919514 523733349 /nfs/dbraw/zinc/73/33/49/523733349.db2.gz GVAGZJQHVLPNJR-HSZRJFAPSA-N 0 0 438.915 2.572 50 0 IFAARN CC[C@@]1(C)NC(=O)N(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1=O ZINC000012567014 523734025 /nfs/dbraw/zinc/73/40/25/523734025.db2.gz VZDMPIJZMQTRLF-VGOFRKELSA-N 0 0 442.903 2.953 50 0 IFAARN CN1C2=C(C(=O)N(CCC(=O)N3CCCC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035967661 523738910 /nfs/dbraw/zinc/73/89/10/523738910.db2.gz JYTWZVKQPALZPW-SFHVURJKSA-N 0 0 436.434 2.510 50 0 IFAARN CCn1nnc2cc(C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C[C@H]3CCCO3)ccc21 ZINC000014572258 523761283 /nfs/dbraw/zinc/76/12/83/523761283.db2.gz URZHEQKAPFIMGG-MRXNPFEDSA-N 0 0 432.484 2.509 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3ccccc3)s2)cc1OC ZINC000020486671 523764888 /nfs/dbraw/zinc/76/48/88/523764888.db2.gz CXYTVCXDQYRBBA-UHFFFAOYSA-N 0 0 434.499 2.633 50 0 IFAARN COCCN(Cc1nc(COc2ccc(F)cc2)no1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012799971 523773833 /nfs/dbraw/zinc/77/38/33/523773833.db2.gz HWGQQCPUYSFLQF-UHFFFAOYSA-N 0 0 439.447 2.673 50 0 IFAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000032983448 523779195 /nfs/dbraw/zinc/77/91/95/523779195.db2.gz BNUWJKMRXXAUNL-KRWDZBQOSA-N 0 0 440.525 2.822 50 0 IFAARN COCCN([C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000036003869 523781102 /nfs/dbraw/zinc/78/11/02/523781102.db2.gz WJTSCDNRFGUNED-INIZCTEOSA-N 0 0 436.530 2.635 50 0 IFAARN CC[C@H](C(=O)NCc1cc(Br)ccc1OC)N1c2cc(C)nn2CCC1=O ZINC000020943708 523784490 /nfs/dbraw/zinc/78/44/90/523784490.db2.gz VZTAGONOBXGMJS-OAHLLOKOSA-N 0 0 435.322 2.794 50 0 IFAARN CCc1cc(N2CCN(C)CC2)nc(SCc2cccc(C(=O)N3CCOCC3)c2)n1 ZINC000036038553 523795037 /nfs/dbraw/zinc/79/50/37/523795037.db2.gz ICWRXJUZNGOEDV-UHFFFAOYSA-N 0 0 441.601 2.556 50 0 IFAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC(NS(C)(=O)=O)CC1 ZINC000057438370 523836911 /nfs/dbraw/zinc/83/69/11/523836911.db2.gz WEUWXWWPASWROG-OAQYLSRUSA-N 0 0 431.558 2.697 50 0 IFAARN CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)C1CCOCC1 ZINC000012716380 523842326 /nfs/dbraw/zinc/84/23/26/523842326.db2.gz SDHCPLQXLROUMX-HSZRJFAPSA-N 0 0 437.540 2.807 50 0 IFAARN CCc1ccc(-n2c(N)c3c(C)nnc-3nc2S[C@H](CC)C(=O)N2CCOCC2)cc1 ZINC000020758980 523865958 /nfs/dbraw/zinc/86/59/58/523865958.db2.gz XNTVWKHYHURNJT-QGZVFWFLSA-N 0 0 440.573 2.828 50 0 IFAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)S2(=O)=O)cc1 ZINC000021913348 523871881 /nfs/dbraw/zinc/87/18/81/523871881.db2.gz AJLDIXHZEAIHRS-UHFFFAOYSA-N 0 0 426.494 2.691 50 0 IFAARN COc1ccc(C2=NC3(CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)NC2=O)cc1 ZINC000035432432 523875750 /nfs/dbraw/zinc/87/57/50/523875750.db2.gz AMIUKHXCNPLJNO-UHFFFAOYSA-N 0 0 441.553 2.720 50 0 IFAARN COC(=O)[C@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1F ZINC000020716368 523881875 /nfs/dbraw/zinc/88/18/75/523881875.db2.gz VSTHLZSUYUJKEL-VFZGTOFNSA-N 0 0 425.258 2.530 50 0 IFAARN CN1CCN(CC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)CC1 ZINC000020472713 523893481 /nfs/dbraw/zinc/89/34/81/523893481.db2.gz XOHCSNDGRJYTBQ-UHFFFAOYSA-N 0 0 426.586 2.743 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1F ZINC000020731324 523900422 /nfs/dbraw/zinc/90/04/22/523900422.db2.gz ALCVYUZHQVXZOY-WMZOPIPTSA-N 0 0 436.509 2.509 50 0 IFAARN COCCNC(=O)Cn1nc2c(c1NC(=O)COc1ccc3ccccc3c1)CSC2 ZINC000023139016 523901505 /nfs/dbraw/zinc/90/15/05/523901505.db2.gz HUBIWGAXEVDRPB-UHFFFAOYSA-N 0 0 440.525 2.563 50 0 IFAARN COc1ccc(CC(=O)Nc2nc(C)c(C3N=NC(=S)N3C)s2)c(OC)c1OC ZINC000012892104 523912127 /nfs/dbraw/zinc/91/21/27/523912127.db2.gz PTOXDEHQYHORMC-UHFFFAOYSA-N 0 0 435.531 2.743 50 0 IFAARN COc1ccc(CC(=O)Oc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000012902285 523913377 /nfs/dbraw/zinc/91/33/77/523913377.db2.gz QFWQFMHWGYWJOW-UHFFFAOYSA-N 0 0 425.890 2.518 50 0 IFAARN COCCNC(=O)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036059781 523913610 /nfs/dbraw/zinc/91/36/10/523913610.db2.gz QPTJONVTLUCATJ-WOJBJXKFSA-N 0 0 446.931 2.976 50 0 IFAARN COCCNC(=O)[C@@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1cccc(OC)c1 ZINC000035405804 523914224 /nfs/dbraw/zinc/91/42/24/523914224.db2.gz SUCIAOYIMUDZFK-JOCHJYFZSA-N 0 0 427.526 2.889 50 0 IFAARN COCCNC(=O)[C@@]1(C)Cn2c(cc3ccsc32)C(=O)N1c1ccc(OC)c(OC)c1 ZINC000035405767 523915201 /nfs/dbraw/zinc/91/52/01/523915201.db2.gz RSZRJEIRZAMXJG-JOCHJYFZSA-N 0 0 443.525 2.902 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)CC1 ZINC000035913015 523915652 /nfs/dbraw/zinc/91/56/52/523915652.db2.gz MFIBEKFYSPVTCF-UHFFFAOYSA-N 0 0 444.376 2.699 50 0 IFAARN COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1 ZINC000012769503 523918497 /nfs/dbraw/zinc/91/84/97/523918497.db2.gz PGEQZSNKYQMPIG-UHFFFAOYSA-N 0 0 442.459 2.578 50 0 IFAARN COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)C1 ZINC000033059090 523919649 /nfs/dbraw/zinc/91/96/49/523919649.db2.gz ZNIMWFUMBGXXFL-VYENPZKTSA-N 0 0 447.557 2.625 50 0 IFAARN COCCNC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000036054251 523921013 /nfs/dbraw/zinc/92/10/13/523921013.db2.gz YMDQZMLWYCZGOT-MOPGFXCFSA-N 0 0 446.931 2.976 50 0 IFAARN CCc1ccc(CNC(=O)Cn2c3cccnc3n(Cc3ccc(C)cc3)c(=O)c2=O)cc1 ZINC000035450472 523934293 /nfs/dbraw/zinc/93/42/93/523934293.db2.gz SOQTTXQKOQEVQF-UHFFFAOYSA-N 0 0 442.519 2.794 50 0 IFAARN COc1ccc(CCN2C(=O)C[C@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)cc1OC ZINC000020759959 523945371 /nfs/dbraw/zinc/94/53/71/523945371.db2.gz KVMMSSAYJSFTIT-NRFANRHFSA-N 0 0 433.508 2.913 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1OC ZINC000020898350 523953795 /nfs/dbraw/zinc/95/37/95/523953795.db2.gz ZCMTZQOTGAAZML-UHFFFAOYSA-N 0 0 446.569 2.605 50 0 IFAARN COc1ccc(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC ZINC000012763835 523961315 /nfs/dbraw/zinc/96/13/15/523961315.db2.gz DDAUNPMGTPWCHT-UHFFFAOYSA-N 0 0 446.569 2.780 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000020581473 523962589 /nfs/dbraw/zinc/96/25/89/523962589.db2.gz UTGQKAPGFIZIAH-OALUTQOASA-N 0 0 447.944 2.949 50 0 IFAARN CCc1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)CC2=O)cc1 ZINC000012860617 523965173 /nfs/dbraw/zinc/96/51/73/523965173.db2.gz OCYOANJQAUQUSY-NZQKXSOJSA-N 0 0 439.531 2.931 50 0 IFAARN CCc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)CC2=O)cc1 ZINC000012860629 523965252 /nfs/dbraw/zinc/96/52/52/523965252.db2.gz OCYOANJQAUQUSY-NFBKMPQASA-N 0 0 439.531 2.931 50 0 IFAARN CO[C@H]1CCCN(C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)C1 ZINC000012150534 523969147 /nfs/dbraw/zinc/96/91/47/523969147.db2.gz CKQWAJMSWBLIBI-LAUBAEHRSA-N 0 0 438.446 2.892 50 0 IFAARN CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1 ZINC000020529410 523970171 /nfs/dbraw/zinc/97/01/71/523970171.db2.gz RISMXPIOOCSCDR-OAHLLOKOSA-N 0 0 429.542 2.854 50 0 IFAARN CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)cc1 ZINC000035452558 523971976 /nfs/dbraw/zinc/97/19/76/523971976.db2.gz SLIZDDGHINNBAU-AWEZNQCLSA-N 0 0 431.514 2.536 50 0 IFAARN CC[C@H](C)NC(=O)CN1c2ccccc2S(=O)(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000015826929 523972769 /nfs/dbraw/zinc/97/27/69/523972769.db2.gz YSQHKLBURFDYFV-HNNXBMFYSA-N 0 0 431.514 2.741 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000012650998 523976556 /nfs/dbraw/zinc/97/65/56/523976556.db2.gz YMYDLUZCNVOAPU-UHFFFAOYSA-N 0 0 432.542 2.851 50 0 IFAARN CCc1ccc(NC(=O)Cn2c3c(C)nn(CC)c3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000035373975 523976615 /nfs/dbraw/zinc/97/66/15/523976615.db2.gz MRDJWFBQAXAPPW-UHFFFAOYSA-N 0 0 445.523 2.937 50 0 IFAARN CN(C)C(=O)CN1c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2OCC1=O ZINC000035560183 523988828 /nfs/dbraw/zinc/98/88/28/523988828.db2.gz JOEBRUVKYZLMFQ-UHFFFAOYSA-N 0 0 435.524 2.595 50 0 IFAARN COc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C2(C)C)c(OC)c1OC ZINC000016561829 524002107 /nfs/dbraw/zinc/00/21/07/524002107.db2.gz XVWQXIIPJMVYCA-UHFFFAOYSA-N 0 0 427.501 2.908 50 0 IFAARN CN(C)C(=O)c1ccc2c(c1)N(CC(=O)N1CCC(Cc3ccccc3)CC1)C(=O)CO2 ZINC000035376937 524026220 /nfs/dbraw/zinc/02/62/20/524026220.db2.gz FPNJWDICEADTML-UHFFFAOYSA-N 0 0 435.524 2.595 50 0 IFAARN COc1ccc(CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c(OC)c1OC ZINC000020754171 524033141 /nfs/dbraw/zinc/03/31/41/524033141.db2.gz ITWPBPWJZFOYEO-UHFFFAOYSA-N 0 0 434.558 2.836 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCn2c(C)cc3ccccc32)cc1C ZINC000012431446 524035027 /nfs/dbraw/zinc/03/50/27/524035027.db2.gz AQLMCOKYTJLODW-QHCPKHFHSA-N 0 0 448.567 2.774 50 0 IFAARN COc1ccc(CNC(=O)CN2C(=O)CSc3ccc(C(=O)N4CCCC4)cc32)cc1 ZINC000035402551 524050288 /nfs/dbraw/zinc/05/02/88/524050288.db2.gz KZKWJADYJWQFMO-UHFFFAOYSA-N 0 0 439.537 2.686 50 0 IFAARN COc1ccc(CNC(=O)CN2c3cc(-c4ccccc4C)nn3CCC2=O)c(OC)c1 ZINC000035374658 524050995 /nfs/dbraw/zinc/05/09/95/524050995.db2.gz JPIUEXQVMFVQNX-UHFFFAOYSA-N 0 0 434.496 2.929 50 0 IFAARN COc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)c(OC)c1 ZINC000012481004 524054606 /nfs/dbraw/zinc/05/46/06/524054606.db2.gz OQLBXCNDNWQUDD-QHCPKHFHSA-N 0 0 447.535 2.864 50 0 IFAARN COc1ccc(CNC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1OC ZINC000012860554 524057923 /nfs/dbraw/zinc/05/79/23/524057923.db2.gz NXCGBOXQKIZPFU-UHFFFAOYSA-N 0 0 440.544 2.787 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cncn2-c2ccc(F)cc2)cc1OC ZINC000018530692 524062340 /nfs/dbraw/zinc/06/23/40/524062340.db2.gz FJFFCEHGJNWNMC-CQSZACIVSA-N 0 0 427.432 2.890 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)cc1 ZINC000015784371 524064161 /nfs/dbraw/zinc/06/41/61/524064161.db2.gz WFKDIZIUFDANRF-IBGZPJMESA-N 0 0 441.553 2.904 50 0 IFAARN COc1cccc([C@@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2nccn2C)c1 ZINC000012548111 524100542 /nfs/dbraw/zinc/10/05/42/524100542.db2.gz CLIVEUFCASSSBL-QGZVFWFLSA-N 0 0 435.452 2.944 50 0 IFAARN C[C@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCc3c[nH]c4ccccc34)s2)C1 ZINC000035377859 524110124 /nfs/dbraw/zinc/11/01/24/524110124.db2.gz PGYQPJITMCIUHJ-AWEZNQCLSA-N 0 0 436.541 2.841 50 0 IFAARN C[C@@H](C(=O)N1CCCCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000035269336 524110172 /nfs/dbraw/zinc/11/01/72/524110172.db2.gz IRIUYGKIDWGNPF-IBGZPJMESA-N 0 0 429.586 2.937 50 0 IFAARN COc1ccc(COC[C@@H](O)CN2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1OC ZINC000012553559 524117238 /nfs/dbraw/zinc/11/72/38/524117238.db2.gz YBEGXPJEDNZIKW-FQEVSTJZSA-N 0 0 446.519 2.745 50 0 IFAARN COc1cccc([C@@H]2[C@@H](C(=O)NCCN3CCOCC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928033 524130704 /nfs/dbraw/zinc/13/07/04/524130704.db2.gz HYBUNYVQQNBUCV-BJKOFHAPSA-N 0 0 449.551 2.587 50 0 IFAARN COc1ccc(C[C@H](C)NS(=O)(=O)c2cc3c4c(c2)c(C)cc(=O)n4CC3)cc1OC ZINC000012444914 524154039 /nfs/dbraw/zinc/15/40/39/524154039.db2.gz GYLOXQCAFZBLLX-HNNXBMFYSA-N 0 0 442.537 2.793 50 0 IFAARN COc1ccc(C[C@]2(CCC(=O)NC[C@H](C)Oc3cccnc3)CCC(=O)N2)c(F)c1 ZINC000014887594 524160235 /nfs/dbraw/zinc/16/02/35/524160235.db2.gz AMGZZQKVDZXPOP-HJPURHCSSA-N 0 0 429.492 2.785 50 0 IFAARN COc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)c3ccn(C)n3)nc21 ZINC000012444346 524188151 /nfs/dbraw/zinc/18/81/51/524188151.db2.gz LFZFTZZIUICCMM-UHFFFAOYSA-N 0 0 435.937 2.671 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCCn2ncc3c2ncnc3N2CCCCCC2)c1 ZINC000035598424 524192530 /nfs/dbraw/zinc/19/25/30/524192530.db2.gz AIWBYCIOXSKYJH-UHFFFAOYSA-N 0 0 428.562 2.802 50 0 IFAARN C[C@@H](C(=O)NCCn1nc(-c2cccs2)ccc1=O)n1nc(-c2ccccc2)ccc1=O ZINC000042380997 524196677 /nfs/dbraw/zinc/19/66/77/524196677.db2.gz ZFTZULRBAPZJGU-INIZCTEOSA-N 0 0 447.520 2.573 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC000012820745 524223058 /nfs/dbraw/zinc/22/30/58/524223058.db2.gz YZIIGVFVCMQZJR-CQSZACIVSA-N 0 0 445.903 2.950 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN1CCCN(Cc2ccc(F)cc2)S1(=O)=O ZINC000012415331 524224174 /nfs/dbraw/zinc/22/41/74/524224174.db2.gz JAXNDGSFRJXYEA-UHFFFAOYSA-N 0 0 441.912 2.879 50 0 IFAARN C[C@H]1CCN(C(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c2ccccc2S1 ZINC000022914898 524239423 /nfs/dbraw/zinc/23/94/23/524239423.db2.gz HUUWWEQODHONBQ-IBGZPJMESA-N 0 0 430.618 2.534 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000035436354 524242762 /nfs/dbraw/zinc/24/27/62/524242762.db2.gz ADORENBWWCNFAZ-WOJBJXKFSA-N 0 0 429.586 2.519 50 0 IFAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012808900 524281036 /nfs/dbraw/zinc/28/10/36/524281036.db2.gz OXMFIVYTIRDKRX-UHFFFAOYSA-N 0 0 429.542 2.847 50 0 IFAARN Cc1cccc(C)c1NC(=O)Cn1nc2c(N3CCSCC3)nc3ccccc3n2c1=O ZINC000035425841 524283908 /nfs/dbraw/zinc/28/39/08/524283908.db2.gz IMTVCWVIPAYODM-UHFFFAOYSA-N 0 0 448.552 2.853 50 0 IFAARN COc1ccccc1-c1nnc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)o1 ZINC000012852979 524288483 /nfs/dbraw/zinc/28/84/83/524288483.db2.gz NYKOESQJFJVEIY-UHFFFAOYSA-N 0 0 434.424 2.870 50 0 IFAARN Cc1cccc(CN2CCN(C(=O)CN(C)CC(=O)Nc3cc(F)ccc3C)CC2)c1 ZINC000012752212 524396215 /nfs/dbraw/zinc/39/62/15/524396215.db2.gz REEJSAWXLUSGBK-UHFFFAOYSA-N 0 0 426.536 2.657 50 0 IFAARN Cc1cc(C)cc(NC(=O)Cn2nc3c(N4CCSCC4)nc4ccccc4n3c2=O)c1 ZINC000035425838 524423303 /nfs/dbraw/zinc/42/33/03/524423303.db2.gz ZNXGHXRTZWNOMD-UHFFFAOYSA-N 0 0 448.552 2.853 50 0 IFAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NCc1ccccn1 ZINC000033255729 524432313 /nfs/dbraw/zinc/43/23/13/524432313.db2.gz RTFRASJISBKNQP-OALUTQOASA-N 0 0 427.526 2.544 50 0 IFAARN Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000022914062 524432561 /nfs/dbraw/zinc/43/25/61/524432561.db2.gz LRYKIFYUYKHXAA-XZOQPEGZSA-N 0 0 441.597 2.788 50 0 IFAARN C[C@H]1CCc2c(C(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)csc2C1 ZINC000012617279 524434242 /nfs/dbraw/zinc/43/42/42/524434242.db2.gz CNACHESXJJJCGE-AWEZNQCLSA-N 0 0 428.583 2.900 50 0 IFAARN Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000022914047 524434995 /nfs/dbraw/zinc/43/49/95/524434995.db2.gz LRYKIFYUYKHXAA-PKTZIBPZSA-N 0 0 441.597 2.788 50 0 IFAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)NCCN4CCOCC4)c3)C2=O)cc1 ZINC000035180936 524446322 /nfs/dbraw/zinc/44/63/22/524446322.db2.gz WYIOOQPWYZBDJF-UHFFFAOYSA-N 0 0 436.556 2.889 50 0 IFAARN COc1ccc(N2C[C@H](c3nnc(NC(=O)COc4ccc(F)cc4)o3)CC2=O)cc1 ZINC000033290734 524449299 /nfs/dbraw/zinc/44/92/99/524449299.db2.gz XBZJCSNOIJKFGW-CYBMUJFWSA-N 0 0 426.404 2.755 50 0 IFAARN Cc1ccc(CN2CCN(C3CCN(C(=O)NC4CCCCC4)CC3)C(=O)C2=O)cc1 ZINC000035451690 524455172 /nfs/dbraw/zinc/45/51/72/524455172.db2.gz HOLPXTKILQJWHV-UHFFFAOYSA-N 0 0 426.561 2.673 50 0 IFAARN Cc1ccc(CN2CCN(C3CCN(C(=O)CCc4ccccc4)CC3)C(=O)C2=O)cc1 ZINC000035376516 524456351 /nfs/dbraw/zinc/45/63/51/524456351.db2.gz BKLUTNKQKFOCBC-UHFFFAOYSA-N 0 0 433.552 2.790 50 0 IFAARN COc1ccccc1CNC(=O)[C@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000015726683 524476130 /nfs/dbraw/zinc/47/61/30/524476130.db2.gz MVFQMNARJYHURB-KGLIPLIRSA-N 0 0 448.566 2.854 50 0 IFAARN COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC(F)F ZINC000022762689 524483154 /nfs/dbraw/zinc/48/31/54/524483154.db2.gz CTTQYWBUKZPXDE-UHFFFAOYSA-N 0 0 443.424 2.870 50 0 IFAARN COc1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(C)cc3)no2)cc1OC ZINC000033062785 524486547 /nfs/dbraw/zinc/48/65/47/524486547.db2.gz DUIOOSAUESSIQV-UHFFFAOYSA-N 0 0 445.497 2.940 50 0 IFAARN Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000021887895 524499736 /nfs/dbraw/zinc/49/97/36/524499736.db2.gz LTMKNHGJSYHXBN-UHFFFAOYSA-N 0 0 429.542 2.645 50 0 IFAARN COc1ccc(NC(=O)C[C@H]2CS(=O)(=O)C[C@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000012420957 524523294 /nfs/dbraw/zinc/52/32/94/524523294.db2.gz PJRAYPJPBFRIPC-IYBDPMFKSA-N 0 0 446.525 2.722 50 0 IFAARN Cc1cc(C)n(CCCNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)n1 ZINC000023246783 524524155 /nfs/dbraw/zinc/52/41/55/524524155.db2.gz QXHHKCAFJSBGMP-UHFFFAOYSA-N 0 0 432.571 2.860 50 0 IFAARN Cc1cc(C)n(CCNC(=O)[C@H]2Cc3nc(NC(=O)c4ccsc4)sc3C(=O)C2)n1 ZINC000012456718 524528470 /nfs/dbraw/zinc/52/84/70/524528470.db2.gz JZOPYUIJYUCSMJ-AWEZNQCLSA-N 0 0 443.554 2.832 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(OCc3ccc(F)cc3)c(=O)cc2CO)cc1OC ZINC000012231091 524530634 /nfs/dbraw/zinc/53/06/34/524530634.db2.gz CBUIDDSCAJQVIU-UHFFFAOYSA-N 0 0 442.443 2.715 50 0 IFAARN COc1ccc(NC(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)cc1OC ZINC000035432340 524542071 /nfs/dbraw/zinc/54/20/71/524542071.db2.gz ULRFUTUUAAPONF-UHFFFAOYSA-N 0 0 426.448 2.786 50 0 IFAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nn4c(nc5c(c4=O)CCCC5)s3)C2)cc1 ZINC000021663873 524542219 /nfs/dbraw/zinc/54/22/19/524542219.db2.gz VLYCXXXIWLQXOZ-QGZVFWFLSA-N 0 0 437.569 2.871 50 0 IFAARN COc1ccccc1N1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000012823692 524546046 /nfs/dbraw/zinc/54/60/46/524546046.db2.gz KHZIXRKWFGMLFI-UHFFFAOYSA-N 0 0 437.521 2.706 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2nc(C(=O)N3CCCC3)c3ccccc32)CC1 ZINC000021157114 524547048 /nfs/dbraw/zinc/54/70/48/524547048.db2.gz IPMCCNVKTLCRBE-UHFFFAOYSA-N 0 0 447.539 2.630 50 0 IFAARN COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(OC)c1 ZINC000016400317 524547034 /nfs/dbraw/zinc/54/70/34/524547034.db2.gz CCBJGSXAKDAUNB-UHFFFAOYSA-N 0 0 433.530 2.859 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000024606946 524550498 /nfs/dbraw/zinc/55/04/98/524550498.db2.gz QOKAKKJAXOERSL-QGZVFWFLSA-N 0 0 449.598 2.506 50 0 IFAARN COc1ccccc1N1CCN(CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000012590210 524554649 /nfs/dbraw/zinc/55/46/49/524554649.db2.gz FXIMBOADNRXBHA-UHFFFAOYSA-N 0 0 442.991 2.815 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000012445058 524558437 /nfs/dbraw/zinc/55/84/37/524558437.db2.gz ALARGFLWHPCMEF-UHFFFAOYSA-N 0 0 445.629 2.779 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)cc1 ZINC000012593228 524559584 /nfs/dbraw/zinc/55/95/84/524559584.db2.gz GKJMHGQPDNSGOU-UHFFFAOYSA-N 0 0 431.558 2.575 50 0 IFAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)n2)CC1 ZINC000035375457 524564783 /nfs/dbraw/zinc/56/47/83/524564783.db2.gz IDOYMRXLPMYULY-UHFFFAOYSA-N 0 0 433.512 2.526 50 0 IFAARN Cc1ccc(CNC(=O)c2cn(CCc3ccccn3)cc(C(=O)NCC3CC3)c2=O)cc1 ZINC000014974409 524564996 /nfs/dbraw/zinc/56/49/96/524564996.db2.gz OQNZKAZADJXGPN-UHFFFAOYSA-N 0 0 444.535 2.864 50 0 IFAARN Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c1 ZINC000020529894 524584547 /nfs/dbraw/zinc/58/45/47/524584547.db2.gz FCPBVCRUFJRUDV-MRXNPFEDSA-N 0 0 441.553 2.990 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1NS(C)(=O)=O ZINC000012526383 524593073 /nfs/dbraw/zinc/59/30/73/524593073.db2.gz VFAKSKIEKZXDIN-CYBMUJFWSA-N 0 0 437.543 2.619 50 0 IFAARN COc1ccccc1NC(=O)CSc1nnc(Cc2ccc(C(C)C)cc2)c(=O)n1N ZINC000012347850 524600226 /nfs/dbraw/zinc/60/02/26/524600226.db2.gz NDCIHACDWJGLLJ-UHFFFAOYSA-N 0 0 439.541 2.806 50 0 IFAARN Cc1cccc(NC(=O)CSCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000022465207 524602911 /nfs/dbraw/zinc/60/29/11/524602911.db2.gz WOKITMGQCDMILJ-SFHVURJKSA-N 0 0 433.599 2.918 50 0 IFAARN COc1ccc(NC(=O)[C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C(C)C)c(OC)c1 ZINC000041098165 524609145 /nfs/dbraw/zinc/60/91/45/524609145.db2.gz OPTKGLZSULSDDV-KSFYIVLOSA-N 0 0 439.512 2.836 50 0 IFAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1OC ZINC000012538541 524644576 /nfs/dbraw/zinc/64/45/76/524644576.db2.gz UQAFZAQYFYJUCK-GASCZTMLSA-N 0 0 434.514 2.754 50 0 IFAARN COc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC ZINC000012807966 524676225 /nfs/dbraw/zinc/67/62/25/524676225.db2.gz DPVCUBYMUXYSRO-UHFFFAOYSA-N 0 0 433.530 2.929 50 0 IFAARN Cc1cccc(OCC(=O)N2CCN(c3ccc(=O)n(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC000035534567 524714185 /nfs/dbraw/zinc/71/41/85/524714185.db2.gz GHXGKUHQYZGBNI-UHFFFAOYSA-N 0 0 438.915 2.922 50 0 IFAARN C[C@@H]1CCc2c(sc3ncnc(N4CCN(CCNC(=O)c5ccco5)CC4)c23)C1 ZINC000012813718 524725602 /nfs/dbraw/zinc/72/56/02/524725602.db2.gz OAJGKTJOQPJLBL-OAHLLOKOSA-N 0 0 425.558 2.961 50 0 IFAARN COc1ccc(OC)c(CCNC(=O)[C@H](C)n2c3ccccc3c3nc(=O)cc(C)n32)c1 ZINC000020464934 524819402 /nfs/dbraw/zinc/81/94/02/524819402.db2.gz OWKFQWUTRSXQEM-INIZCTEOSA-N 0 0 434.496 2.895 50 0 IFAARN COc1ccc(OC)c(CNC(=O)Cn2ccc3c(c(C)nn3-c3ccccc3)c2=O)c1 ZINC000033298799 524831991 /nfs/dbraw/zinc/83/19/91/524831991.db2.gz MLGYYZCOSJAFIU-UHFFFAOYSA-N 0 0 432.480 2.829 50 0 IFAARN COc1ccc(OC)c(CNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)c1 ZINC000021933464 524834150 /nfs/dbraw/zinc/83/41/50/524834150.db2.gz WBFPUMKLJIYQSC-UHFFFAOYSA-N 0 0 434.496 2.876 50 0 IFAARN COc1ccc(OC)c(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000021871918 524853065 /nfs/dbraw/zinc/85/30/65/524853065.db2.gz HFPZNQJSLSLRIZ-CQSZACIVSA-N 0 0 446.525 2.804 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2nc(C)c3cnn(-c4ccccc4C)c3c2=O)c1 ZINC000012228509 524855573 /nfs/dbraw/zinc/85/55/73/524855573.db2.gz TUPFETFFTGDYQB-UHFFFAOYSA-N 0 0 433.468 2.855 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000035431251 524865114 /nfs/dbraw/zinc/86/51/14/524865114.db2.gz XDASHXASGORJBM-GOSISDBHSA-N 0 0 432.498 2.639 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c1 ZINC000012521601 524865945 /nfs/dbraw/zinc/86/59/45/524865945.db2.gz WVGSZLRQUNWDQF-UHFFFAOYSA-N 0 0 433.530 2.807 50 0 IFAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCCC2)cc1C ZINC000020928127 524920787 /nfs/dbraw/zinc/92/07/87/524920787.db2.gz HWESIFAMRYDOQW-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN COc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000012758628 524978851 /nfs/dbraw/zinc/97/88/51/524978851.db2.gz ZJWAKOHDIODKGV-KRWDZBQOSA-N 0 0 444.528 2.833 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)Nc3cccc(F)c3)ccc2N1C(=O)C1CC1 ZINC000020529718 524981734 /nfs/dbraw/zinc/98/17/34/524981734.db2.gz YKKBLHPIKIYAHI-AWEZNQCLSA-N 0 0 445.516 2.820 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281417 524989752 /nfs/dbraw/zinc/98/97/52/524989752.db2.gz XIXYMMHAJJTPLN-SUMWQHHRSA-N 0 0 428.539 2.822 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CCc3ccccc32)n1 ZINC000035482036 524990239 /nfs/dbraw/zinc/99/02/39/524990239.db2.gz PNSSIIHPEDMSMD-KRWDZBQOSA-N 0 0 428.492 2.814 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(Br)cc1 ZINC000012999640 525000653 /nfs/dbraw/zinc/00/06/53/525000653.db2.gz DCALGOHSUUOQFV-UHFFFAOYSA-N 0 0 427.320 2.889 50 0 IFAARN Cc1ccccc1-c1nnc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1C ZINC000022049665 525016818 /nfs/dbraw/zinc/01/68/18/525016818.db2.gz BIZQYEPIAUAUFW-UHFFFAOYSA-N 0 0 441.582 2.929 50 0 IFAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1F ZINC000021112228 525036324 /nfs/dbraw/zinc/03/63/24/525036324.db2.gz ZQBYDUWBBSZQTA-UHFFFAOYSA-N 0 0 445.516 2.740 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000012858808 525037755 /nfs/dbraw/zinc/03/77/55/525037755.db2.gz JLHGKSFLOVYNOY-UHFFFAOYSA-N 0 0 431.489 2.996 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccc(C)cc4o3)CC2)cc1OC ZINC000021020766 525037855 /nfs/dbraw/zinc/03/78/55/525037855.db2.gz KXJVBPMWUSEKLH-UHFFFAOYSA-N 0 0 431.514 2.660 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000035483366 525040708 /nfs/dbraw/zinc/04/07/08/525040708.db2.gz DSGACEWCASIFDO-UHFFFAOYSA-N 0 0 434.949 2.531 50 0 IFAARN Cc1ccc(NC(=O)CN(C)CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000012745381 525043513 /nfs/dbraw/zinc/04/35/13/525043513.db2.gz XVWZERMQHLYJBB-UHFFFAOYSA-N 0 0 428.964 2.863 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000012794167 525044182 /nfs/dbraw/zinc/04/41/82/525044182.db2.gz GXFTYPIFTDZZGH-UHFFFAOYSA-N 0 0 429.542 2.880 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1Cl ZINC000021108649 525044720 /nfs/dbraw/zinc/04/47/20/525044720.db2.gz AQGZHDHGVHFPQX-UHFFFAOYSA-N 0 0 437.905 2.547 50 0 IFAARN Cc1ccc(NC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1F ZINC000021031421 525048769 /nfs/dbraw/zinc/04/87/69/525048769.db2.gz ZOOGLTHODUKROI-UHFFFAOYSA-N 0 0 445.516 2.837 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)C[C@@H](C)O1 ZINC000012854436 525050727 /nfs/dbraw/zinc/05/07/27/525050727.db2.gz JBBQHJJPCZKZMD-QZTJIDSGSA-N 0 0 428.554 2.946 50 0 IFAARN C[C@@H]1CN(c2ccc(C(=O)N3CSC[C@@H]3C(=O)NCc3ccccc3)cn2)C[C@@H](C)O1 ZINC000024670449 525064454 /nfs/dbraw/zinc/06/44/54/525064454.db2.gz JSNMWVGMJWYROF-MBOZVWFJSA-N 0 0 440.569 2.527 50 0 IFAARN C[C@H]1Oc2ccccc2N(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000012767131 525064358 /nfs/dbraw/zinc/06/43/58/525064358.db2.gz TZASCBMOVZIEDV-CYBMUJFWSA-N 0 0 435.402 2.916 50 0 IFAARN C[C@H]1Oc2ccccc2N(CC(=O)N(C)CC(=O)Nc2ccccc2Br)C1=O ZINC000012882875 525065131 /nfs/dbraw/zinc/06/51/31/525065131.db2.gz AFIMGEKPISPDLT-CYBMUJFWSA-N 0 0 446.301 2.660 50 0 IFAARN C[C@H]1Oc2ccccc2N(CCC(=O)NCC(=O)Nc2ccccc2Br)C1=O ZINC000012769272 525066432 /nfs/dbraw/zinc/06/64/32/525066432.db2.gz WZCSQVVZKFYOBV-CYBMUJFWSA-N 0 0 446.301 2.708 50 0 IFAARN C[C@@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(S(C)(=O)=O)cc1 ZINC000010968378 525087411 /nfs/dbraw/zinc/08/74/11/525087411.db2.gz BSBHWRDHKLZLDJ-LRYXAPPNSA-N 0 0 432.586 2.990 50 0 IFAARN COc1nn(C)cc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C ZINC000012422567 525090856 /nfs/dbraw/zinc/09/08/56/525090856.db2.gz NUJFBVZPFQGFSH-UHFFFAOYSA-N 0 0 426.424 2.974 50 0 IFAARN COc1ccc(S(=O)(=O)c2c(N)n(CC(=O)Nc3ccccc3)nc2SC)cc1 ZINC000020597857 525094302 /nfs/dbraw/zinc/09/43/02/525094302.db2.gz DZRIEAFPQFSOKI-UHFFFAOYSA-N 0 0 432.527 2.667 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000012397138 525097058 /nfs/dbraw/zinc/09/70/58/525097058.db2.gz RCWRAOFPWLZZJV-UHFFFAOYSA-N 0 0 437.568 2.809 50 0 IFAARN Cc1cc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)ccc1Br ZINC000012867985 525165725 /nfs/dbraw/zinc/16/57/25/525165725.db2.gz MFHYTSHNRMABMG-UHFFFAOYSA-N 0 0 428.286 2.768 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(C(=O)NCCOc3cccc4cccnc43)ccc21 ZINC000012371825 525171918 /nfs/dbraw/zinc/17/19/18/525171918.db2.gz KVYMUERLKURYPT-UHFFFAOYSA-N 0 0 425.510 2.756 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012772600 525197797 /nfs/dbraw/zinc/19/77/97/525197797.db2.gz HVGUTRZSAYWDSM-IBGZPJMESA-N 0 0 430.526 2.527 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)cc1F ZINC000033021293 525201291 /nfs/dbraw/zinc/20/12/91/525201291.db2.gz PUWHTQVOGGWHBR-CQSZACIVSA-N 0 0 447.488 2.504 50 0 IFAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(CNC(N)=O)cc3)n2)cc1 ZINC000012604907 525217617 /nfs/dbraw/zinc/21/76/17/525217617.db2.gz BIBDMUIKPOBZAB-UHFFFAOYSA-N 0 0 445.526 2.602 50 0 IFAARN Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc21 ZINC000020932989 525234977 /nfs/dbraw/zinc/23/49/77/525234977.db2.gz YETNJRLMVVPMDO-UHFFFAOYSA-N 0 0 443.525 2.580 50 0 IFAARN CS(=O)(=O)c1ccc(C(=O)OCc2cc3c(cc2Br)OCCO3)cc1 ZINC000012094632 525243545 /nfs/dbraw/zinc/24/35/45/525243545.db2.gz UMPRUSJERRYEKW-UHFFFAOYSA-N 0 0 427.272 2.981 50 0 IFAARN Cc1ccccc1OCC(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)c(=O)n2C ZINC000021916804 525279972 /nfs/dbraw/zinc/27/99/72/525279972.db2.gz MLKMIQNGCKMICS-UHFFFAOYSA-N 0 0 436.512 2.553 50 0 IFAARN C[C@@H](NC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(C)C2=O)c1ccccc1 ZINC000021874784 525315532 /nfs/dbraw/zinc/31/55/32/525315532.db2.gz FSWPTKCTAASWER-GYCJOSAFSA-N 0 0 437.544 2.667 50 0 IFAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1=O ZINC000012527746 525331370 /nfs/dbraw/zinc/33/13/70/525331370.db2.gz YNKHQNVLVRMIBT-JOCHJYFZSA-N 0 0 442.903 2.582 50 0 IFAARN Cc1ccccc1S(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c1 ZINC000021710621 525334552 /nfs/dbraw/zinc/33/45/52/525334552.db2.gz NBIIOEFIJSBZHK-GOSISDBHSA-N 0 0 441.553 2.927 50 0 IFAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000012891534 525345285 /nfs/dbraw/zinc/34/52/85/525345285.db2.gz KSZOGWGCLQGFJB-MRXNPFEDSA-N 0 0 425.514 2.543 50 0 IFAARN COc1ccc([C@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c2nccn2C)cc1 ZINC000012520551 525370317 /nfs/dbraw/zinc/37/03/17/525370317.db2.gz SUCNSQZWGMKELD-OFNKIYASSA-N 0 0 432.524 2.991 50 0 IFAARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nnnn32)c(OC)c1OC ZINC000012467898 525385485 /nfs/dbraw/zinc/38/54/85/525385485.db2.gz VFKNUJCMNFBXPA-KRWDZBQOSA-N 0 0 429.477 2.864 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCc3ccccc3)cc2)C1 ZINC000014361116 525387151 /nfs/dbraw/zinc/38/71/51/525387151.db2.gz KHRLHJCZIPRTPL-HDICACEKSA-N 0 0 444.553 2.826 50 0 IFAARN Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N(C)c3ccccc3)s2)cc1C ZINC000020486676 525397887 /nfs/dbraw/zinc/39/78/87/525397887.db2.gz OWUZNNYQUOAOLK-UHFFFAOYSA-N 0 0 432.527 2.998 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000021705632 525409155 /nfs/dbraw/zinc/40/91/55/525409155.db2.gz GKZLOBYFIZQDBQ-LJQANCHMSA-N 0 0 431.510 2.994 50 0 IFAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 ZINC000012547778 525445359 /nfs/dbraw/zinc/44/53/59/525445359.db2.gz FTFYSZRXZOVCDD-FYSMJZIKSA-N 0 0 447.495 2.525 50 0 IFAARN Cc1nc2[nH]c(NCc3ccc(Cl)cc3)nn2c(=O)c1CCC(=O)N1CCCCC1 ZINC000021804035 525448324 /nfs/dbraw/zinc/44/83/24/525448324.db2.gz CSCSABYECASHSV-UHFFFAOYSA-N 0 0 428.924 2.937 50 0 IFAARN Cc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1 ZINC000012769511 525455022 /nfs/dbraw/zinc/45/50/22/525455022.db2.gz ANSCRKBDIUZMNB-AWEZNQCLSA-N 0 0 442.459 2.713 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NCc2ccco2)C(=O)[C@]31C ZINC000012870450 525483293 /nfs/dbraw/zinc/48/32/93/525483293.db2.gz LXKCZOWRFHAYSS-NPMABZOXSA-N 0 0 436.468 2.510 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(-c2cccc(C)c2C)c1=O ZINC000020611070 525484873 /nfs/dbraw/zinc/48/48/73/525484873.db2.gz UCMVSRRRJARWJC-NRFANRHFSA-N 0 0 432.480 2.573 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)OCC(=O)Nc1ccccc1OC(F)F ZINC000021377594 525493193 /nfs/dbraw/zinc/49/31/93/525493193.db2.gz UNUJFLUKUPQCCB-UHFFFAOYSA-N 0 0 442.440 2.642 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(N)c1 ZINC000012677594 525494925 /nfs/dbraw/zinc/49/49/25/525494925.db2.gz AKYUPJCJAWPQPO-LBPRGKRZSA-N 0 0 439.921 2.665 50 0 IFAARN CSCC[C@@H](CO)NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 ZINC000012894293 525530164 /nfs/dbraw/zinc/53/01/64/525530164.db2.gz YDTSSYCTIGBFBS-AWEZNQCLSA-N 0 0 435.542 2.814 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(-n4cncn4)cc3)C2)s1 ZINC000012924027 525532202 /nfs/dbraw/zinc/53/22/02/525532202.db2.gz RYVNEKZBYFJFOK-OAHLLOKOSA-N 0 0 431.543 2.677 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(-n4cccn4)nc3)C2)s1 ZINC000012522345 525535759 /nfs/dbraw/zinc/53/57/59/525535759.db2.gz HCASRHONUCPWCH-HNNXBMFYSA-N 0 0 431.543 2.677 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(C(F)(F)F)n(C)c3=S)CC2)c(C)c1 ZINC000021322011 525544432 /nfs/dbraw/zinc/54/44/32/525544432.db2.gz WSZSGFZHKZKRMO-UHFFFAOYSA-N 0 0 449.524 2.551 50 0 IFAARN CSCC[C@H](C(=O)O[C@@H](C)C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000012813837 525559939 /nfs/dbraw/zinc/55/99/39/525559939.db2.gz CLDXTHJTSQRUTP-KBXCAEBGSA-N 0 0 432.542 2.785 50 0 IFAARN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)n1C ZINC000021155829 525568132 /nfs/dbraw/zinc/56/81/32/525568132.db2.gz QSIBFEIRPMWCJH-UHFFFAOYSA-N 0 0 447.557 2.721 50 0 IFAARN Cc1c(C(=O)N2CCC(O)CC2)sc2ncnc(NC[C@@H]3COc4ccccc4O3)c12 ZINC000012132159 525571340 /nfs/dbraw/zinc/57/13/40/525571340.db2.gz AAYUDXZRFMGLRE-OAHLLOKOSA-N 0 0 440.525 2.849 50 0 IFAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cnn1-c1ccccc1 ZINC000012777661 525581179 /nfs/dbraw/zinc/58/11/79/525581179.db2.gz RNURGZKSOGYVEN-UHFFFAOYSA-N 0 0 446.479 2.606 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2cccs2)c2ccco2)cc1 ZINC000017043342 525628226 /nfs/dbraw/zinc/62/82/26/525628226.db2.gz QKCGHAUEQCBFSA-SFHVURJKSA-N 0 0 432.523 2.597 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2ccco2)c2cccs2)cc1 ZINC000017043338 525629829 /nfs/dbraw/zinc/62/98/29/525629829.db2.gz MFSVSAOJZJTMEH-GOSISDBHSA-N 0 0 432.523 2.597 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2ccccc2F)c2ccco2)cc1 ZINC000017043287 525630286 /nfs/dbraw/zinc/63/02/86/525630286.db2.gz QIZZDWNYLBRPPU-HXUWFJFHSA-N 0 0 444.484 2.675 50 0 IFAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@H]1CCCO1)N(Cc1cccnc1)C3=O ZINC000021859781 525646582 /nfs/dbraw/zinc/64/65/82/525646582.db2.gz SKMPWRQMZLJOPA-CJFMBICVSA-N 0 0 448.523 2.755 50 0 IFAARN Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCCc3c[nH]c4ccccc34)cc2oc1=O ZINC000012900682 525677467 /nfs/dbraw/zinc/67/74/67/525677467.db2.gz WHDYYCQZQOQFNS-UHFFFAOYSA-N 0 0 447.491 2.745 50 0 IFAARN COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)NCCC(C)C)[C@H]5C3=O)nc2c1 ZINC000035485595 525696213 /nfs/dbraw/zinc/69/62/13/525696213.db2.gz NPPRPFRBLXMZIG-YDGKCNFYSA-N 0 0 427.526 2.754 50 0 IFAARN Cc1ccnc2nc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)nn21 ZINC000012904185 525721824 /nfs/dbraw/zinc/72/18/24/525721824.db2.gz BPRKGIYCMKCALS-ZDUSSCGKSA-N 0 0 440.529 2.534 50 0 IFAARN Cc1ccc(-c2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1 ZINC000012635926 525734422 /nfs/dbraw/zinc/73/44/22/525734422.db2.gz RGWPYJCBYMUUKZ-UHFFFAOYSA-N 0 0 441.509 2.601 50 0 IFAARN COc1cccc(-n2cc(CNC(=O)Cn3cc(NC(=O)c4ccccc4)cn3)cn2)c1 ZINC000020452762 525751476 /nfs/dbraw/zinc/75/14/76/525751476.db2.gz XFHXEBSBXIKUMN-UHFFFAOYSA-N 0 0 430.468 2.646 50 0 IFAARN Cc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)o1 ZINC000012881765 525783372 /nfs/dbraw/zinc/78/33/72/525783372.db2.gz ZOXGEMZFYRTZKN-UHFFFAOYSA-N 0 0 433.511 2.985 50 0 IFAARN Cc1c(Cl)cnc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1Cl ZINC000014359412 525784759 /nfs/dbraw/zinc/78/47/59/525784759.db2.gz NGAQCJFKGIFDTB-QJPTWQEYSA-N 0 0 442.299 2.742 50 0 IFAARN COc1cccc(C(=O)NCC2=NO[C@H](Cc3cc(OC)c4c(c3OC)OCO4)C2)c1 ZINC000015085688 525815771 /nfs/dbraw/zinc/81/57/71/525815771.db2.gz UFOPPOXINWEJLH-QGZVFWFLSA-N 0 0 428.441 2.559 50 0 IFAARN Cc1c(NC(=O)c2cccc(NC(=O)c3cnccn3)c2)c(=O)n(-c2ccccc2)n1C ZINC000020815817 525863614 /nfs/dbraw/zinc/86/36/14/525863614.db2.gz QGBJUMJTAHACKD-UHFFFAOYSA-N 0 0 428.452 2.779 50 0 IFAARN Cc1ccc(-c2noc(CN3CCN(C(=O)CCNC(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000012765912 525877222 /nfs/dbraw/zinc/87/72/22/525877222.db2.gz ARPQVSFEKAQYSR-UHFFFAOYSA-N 0 0 429.521 2.604 50 0 IFAARN C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COc2cccc(Br)c2)C1=O ZINC000012874973 525891714 /nfs/dbraw/zinc/89/17/14/525891714.db2.gz HBDNFYDUHOMSDI-BEFAXECRSA-N 0 0 437.265 2.795 50 0 IFAARN C[C@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012622621 525894191 /nfs/dbraw/zinc/89/41/91/525894191.db2.gz OGSGQUWTIPJURQ-LURJTMIESA-N 0 0 431.663 2.907 50 0 IFAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCOc1cc(N2CCOCC2)ncn1 ZINC000035598370 525930894 /nfs/dbraw/zinc/93/08/94/525930894.db2.gz PPNQDFNKTLELHX-ZDUSSCGKSA-N 0 0 441.315 2.583 50 0 IFAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)Nc2ccc4c(c2)OCCO4)nc3C)c(C)c1 ZINC000012228686 525934818 /nfs/dbraw/zinc/93/48/18/525934818.db2.gz PGFQUAUBALWWRG-UHFFFAOYSA-N 0 0 445.479 2.917 50 0 IFAARN C[C@H](Oc1ccccc1)c1nc(-c2ccc3c(c2)nnn3CCC(=O)N2CCOCC2)no1 ZINC000035558452 525956998 /nfs/dbraw/zinc/95/69/98/525956998.db2.gz OQWOMITZWVTVET-INIZCTEOSA-N 0 0 448.483 2.870 50 0 IFAARN COc1cccc(CN2C[C@H](OCC3CC3)CN(C(=O)CCc3ccncc3)CC2=O)c1 ZINC000014741187 525957439 /nfs/dbraw/zinc/95/74/39/525957439.db2.gz FSUOQFSFQRDWJC-QHCPKHFHSA-N 0 0 437.540 2.689 50 0 IFAARN COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000012888721 525964038 /nfs/dbraw/zinc/96/40/38/525964038.db2.gz IHJZJRZDCCPPCR-UHFFFAOYSA-N 0 0 428.554 2.901 50 0 IFAARN COc1cccc(CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 ZINC000012999528 525965028 /nfs/dbraw/zinc/96/50/28/525965028.db2.gz JWCQBFSFMWROGK-UHFFFAOYSA-N 0 0 434.422 2.685 50 0 IFAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 ZINC000012481039 525967735 /nfs/dbraw/zinc/96/77/35/525967735.db2.gz MVZGFIWRLXHKIU-KRWDZBQOSA-N 0 0 435.546 2.797 50 0 IFAARN COc1cccc(CNC(=O)COCc2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000032987600 525972972 /nfs/dbraw/zinc/97/29/72/525972972.db2.gz SOAOGQCRPJDITM-UHFFFAOYSA-N 0 0 430.461 2.771 50 0 IFAARN C[C@H](SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1nc2ccccc2[nH]1 ZINC000012556695 525973243 /nfs/dbraw/zinc/97/32/43/525973243.db2.gz CDEQURQUDNQCMU-INIZCTEOSA-N 0 0 444.582 2.890 50 0 IFAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N1CCCc2ccccc21 ZINC000022886806 525989551 /nfs/dbraw/zinc/98/95/51/525989551.db2.gz MZFBVRGHTONAFX-INIZCTEOSA-N 0 0 447.582 2.563 50 0 IFAARN COc1cccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)c1OC ZINC000021933460 526002528 /nfs/dbraw/zinc/00/25/28/526002528.db2.gz PREURQRXVXFCAC-UHFFFAOYSA-N 0 0 434.496 2.876 50 0 IFAARN C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012630837 526014962 /nfs/dbraw/zinc/01/49/62/526014962.db2.gz ADAQHFLLUAFEGA-RISCZKNCSA-N 0 0 442.588 2.864 50 0 IFAARN C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022024816 526019319 /nfs/dbraw/zinc/01/93/19/526019319.db2.gz SBRIJIJWRLLXIS-INIZCTEOSA-N 0 0 426.521 2.626 50 0 IFAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)CCOc3ccc(Cl)cc3)C2=O)cc1 ZINC000023763549 526051534 /nfs/dbraw/zinc/05/15/34/526051534.db2.gz DFANGHRMADGPKJ-QFIPXVFZSA-N 0 0 429.904 2.953 50 0 IFAARN COc1cccc(COc2cn(C)c(C(=O)N3CCN(c4ccccc4)CC3)cc2=O)c1 ZINC000012069880 526061256 /nfs/dbraw/zinc/06/12/56/526061256.db2.gz VSWBTBZXGGFHIS-UHFFFAOYSA-N 0 0 433.508 2.935 50 0 IFAARN C[C@@H](c1ccccc1)N1C(=O)[C@H](C)NC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000036027173 526090628 /nfs/dbraw/zinc/09/06/28/526090628.db2.gz YHBCYEZYWQKPBP-IRXDYDNUSA-N 0 0 431.533 2.888 50 0 IFAARN CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2=O)c1 ZINC000012263347 526108511 /nfs/dbraw/zinc/10/85/11/526108511.db2.gz PXBWGKRVIHTFKY-HNNXBMFYSA-N 0 0 445.566 2.940 50 0 IFAARN Cc1cc(=O)c(C(=O)N2CCN(C)CC2)c(CCc2ccccc2)n1Cc1ccccn1 ZINC000020601379 526126716 /nfs/dbraw/zinc/12/67/16/526126716.db2.gz ZBHQOLWPJBNGTH-UHFFFAOYSA-N 0 0 430.552 2.773 50 0 IFAARN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(c4ncnc5onc(C)c54)C3)CC2)c1 ZINC000020945188 526149931 /nfs/dbraw/zinc/14/99/31/526149931.db2.gz MNZPPJGEICKXPH-QGZVFWFLSA-N 0 0 436.516 2.500 50 0 IFAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(c4ncnc5onc(C)c54)C3)CC2)c1 ZINC000020945193 526151216 /nfs/dbraw/zinc/15/12/16/526151216.db2.gz MNZPPJGEICKXPH-KRWDZBQOSA-N 0 0 436.516 2.500 50 0 IFAARN C[C@@H](c1ccon1)N(C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000012453872 526151996 /nfs/dbraw/zinc/15/19/96/526151996.db2.gz IZSPKQKCGBJNPN-AVRWGWEMSA-N 0 0 446.507 2.919 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000012919748 526166910 /nfs/dbraw/zinc/16/69/10/526166910.db2.gz LFHFDOVAGXGHRP-CQSZACIVSA-N 0 0 448.317 2.796 50 0 IFAARN COc1cccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)c1 ZINC000021155719 526167913 /nfs/dbraw/zinc/16/79/13/526167913.db2.gz MIUYFCWGUMHAPA-HSZRJFAPSA-N 0 0 432.524 2.888 50 0 IFAARN COc1cccc(NC(=O)CSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n32)c1 ZINC000015732560 526177306 /nfs/dbraw/zinc/17/73/06/526177306.db2.gz RYIAOFOEKCUYOK-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012903081 526177627 /nfs/dbraw/zinc/17/76/27/526177627.db2.gz ABIRAGHRUOIQKW-CQSZACIVSA-N 0 0 432.933 2.644 50 0 IFAARN C[C@@H]1C(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000012633706 526199777 /nfs/dbraw/zinc/19/97/77/526199777.db2.gz KSCVZXBKXLPUNV-OAHLLOKOSA-N 0 0 444.894 2.985 50 0 IFAARN Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1NC(=O)c1nsc2ccccc21 ZINC000035447661 526203378 /nfs/dbraw/zinc/20/33/78/526203378.db2.gz ZYPQVKMLDHUWBW-CQSZACIVSA-N 0 0 429.523 2.774 50 0 IFAARN Cc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000012751311 526215957 /nfs/dbraw/zinc/21/59/57/526215957.db2.gz HUEQPWNVNWVUIM-SFHVURJKSA-N 0 0 432.567 2.983 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)O[C@@H](C)C(=O)N3CCCc4ccccc43)c(C)n2n1 ZINC000022613179 526217362 /nfs/dbraw/zinc/21/73/62/526217362.db2.gz YTEKVBSRGBCKJV-HNNXBMFYSA-N 0 0 439.541 2.917 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)Nc3ccc(C(=O)c4nccn4C)cc3)c(C)n2n1 ZINC000012506138 526217974 /nfs/dbraw/zinc/21/79/74/526217974.db2.gz HEELPSLNZTYVTF-UHFFFAOYSA-N 0 0 435.513 2.609 50 0 IFAARN CSc1nnc(CNC(=O)CN2C[C@H](c3ccccc3)CC2=O)n1-c1ccccc1C ZINC000012247002 526228223 /nfs/dbraw/zinc/22/82/23/526228223.db2.gz NQYNWOXSEKDWLU-GOSISDBHSA-N 0 0 435.553 2.930 50 0 IFAARN Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1NS(C)(=O)=O ZINC000012520985 526229324 /nfs/dbraw/zinc/22/93/24/526229324.db2.gz AIPPYGIEJPYGMP-KBPBESRZSA-N 0 0 438.575 2.685 50 0 IFAARN Cc1cc(C(=O)N(Cc2cccc(OCCN3CCOCC3)c2)Cc2ccccn2)n(C)n1 ZINC000020909730 526232701 /nfs/dbraw/zinc/23/27/01/526232701.db2.gz ZEVLYQSGTPAQTG-UHFFFAOYSA-N 0 0 449.555 2.677 50 0 IFAARN CSc1nsc(SCC(=O)Oc2ccc(C[C@@H](NC(C)=O)C(C)=O)cc2)n1 ZINC000012364000 526233964 /nfs/dbraw/zinc/23/39/64/526233964.db2.gz JPIXTMLIQJKDAX-CQSZACIVSA-N 0 0 425.557 2.594 50 0 IFAARN COc1cccc(OC[C@H](O)CNC(=O)c2cn(Cc3cccc4ccccc43)nn2)c1 ZINC000012746202 526235907 /nfs/dbraw/zinc/23/59/07/526235907.db2.gz FMMZXEYHFROHIH-LJQANCHMSA-N 0 0 432.480 2.658 50 0 IFAARN Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000012782140 526247256 /nfs/dbraw/zinc/24/72/56/526247256.db2.gz UJXGZMFKZNTRKU-UHFFFAOYSA-N 0 0 446.569 2.835 50 0 IFAARN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000012647784 526276077 /nfs/dbraw/zinc/27/60/77/526276077.db2.gz QEASGQKVSYEUPW-HXUWFJFHSA-N 0 0 425.535 2.720 50 0 IFAARN Cc1nn(CCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029792 526277804 /nfs/dbraw/zinc/27/78/04/526277804.db2.gz QFSHSWQFQFYWNB-UHFFFAOYSA-N 0 0 440.953 2.511 50 0 IFAARN Cc1nn(CCC(=O)Nc2cccc(Cl)c2C)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029784 526278797 /nfs/dbraw/zinc/27/87/97/526278797.db2.gz FWBMEBFGWTZZBV-UHFFFAOYSA-N 0 0 440.953 2.511 50 0 IFAARN Cc1nn(CCCC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1I ZINC000012372183 526279025 /nfs/dbraw/zinc/27/90/25/526279025.db2.gz HSPJJERDVPYJEY-UHFFFAOYSA-N 0 0 426.258 2.622 50 0 IFAARN Cc1nn(CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(=O)c2ccccc12 ZINC000024528122 526282401 /nfs/dbraw/zinc/28/24/01/526282401.db2.gz YFSVSPBTVWSLHW-UHFFFAOYSA-N 0 0 440.569 2.792 50 0 IFAARN Cc1nn(C[C@@H](C)C(=O)N2NC(C(F)F)=C[C@]2(O)C(F)F)c(C)c1Br ZINC000017096285 526283764 /nfs/dbraw/zinc/28/37/64/526283764.db2.gz KWAFYYMDIKJKKI-RCNPXXIZSA-N 0 0 429.212 2.706 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1)N1CCCCCC1 ZINC000020577032 526305096 /nfs/dbraw/zinc/30/50/96/526305096.db2.gz GNPUUPSNLFDAMX-UHFFFAOYSA-N 0 0 437.587 2.534 50 0 IFAARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)nc1n2CCOC1 ZINC000021943159 526313423 /nfs/dbraw/zinc/31/34/23/526313423.db2.gz QGQAAZRZXKOZLS-UHFFFAOYSA-N 0 0 439.947 2.772 50 0 IFAARN O=C(NCCNS(=O)(=O)c1cccc2nsnc21)c1ccc(Cl)cc1Cl ZINC000012323521 526337522 /nfs/dbraw/zinc/33/75/22/526337522.db2.gz FQKWCIIQHRWCFZ-UHFFFAOYSA-N 0 0 431.326 2.706 50 0 IFAARN O=C(CC1CCCC1)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)C1 ZINC000021178148 526353363 /nfs/dbraw/zinc/35/33/63/526353363.db2.gz BXMJLTGKNLMGAJ-KRWDZBQOSA-N 0 0 438.507 2.988 50 0 IFAARN Cc1nnc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)s1 ZINC000012233440 526364076 /nfs/dbraw/zinc/36/40/76/526364076.db2.gz NIKVZNSNCCKFJO-GFCCVEGCSA-N 0 0 443.489 2.557 50 0 IFAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1F ZINC000016689715 526379552 /nfs/dbraw/zinc/37/95/52/526379552.db2.gz IWWSUFMDAAMHNB-AWEZNQCLSA-N 0 0 439.534 2.575 50 0 IFAARN Cc1csc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)n1 ZINC000012846157 526397999 /nfs/dbraw/zinc/39/79/99/526397999.db2.gz HOIUGLJDNQRPGN-UHFFFAOYSA-N 0 0 425.601 2.694 50 0 IFAARN Cc1csc(SCC(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)n1 ZINC000012759392 526398156 /nfs/dbraw/zinc/39/81/56/526398156.db2.gz ZCEYBGHROVQTMY-CYBMUJFWSA-N 0 0 431.630 2.822 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000021526952 526403591 /nfs/dbraw/zinc/40/35/91/526403591.db2.gz WLOWEXYZAKVQDJ-HXUWFJFHSA-N 0 0 425.916 2.646 50 0 IFAARN O=C(CCCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Nc1nccs1 ZINC000020745534 526415134 /nfs/dbraw/zinc/41/51/34/526415134.db2.gz PAXVKBIJAQBMDX-UHFFFAOYSA-N 0 0 425.514 2.718 50 0 IFAARN O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1nc2ccccc2[nH]1 ZINC000017304559 526423340 /nfs/dbraw/zinc/42/33/40/526423340.db2.gz BDFCYHHTYRDGOE-UHFFFAOYSA-N 0 0 444.513 2.812 50 0 IFAARN O=C(CCCNC(=O)[C@H]1COc2ccccc2O1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012325141 526439203 /nfs/dbraw/zinc/43/92/03/526439203.db2.gz SYKLCTVEOOJMQE-OAQYLSRUSA-N 0 0 443.931 2.725 50 0 IFAARN O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000016685044 526495882 /nfs/dbraw/zinc/49/58/82/526495882.db2.gz HXBUYEDMYNAGKR-IBGZPJMESA-N 0 0 440.887 2.874 50 0 IFAARN O=C(CCN1c2ccccc2Sc2ncccc2C1=O)N1CCC2(CC1)OCCO2 ZINC000020993515 526496744 /nfs/dbraw/zinc/49/67/44/526496744.db2.gz HLKMXLDMTIPOHT-UHFFFAOYSA-N 0 0 425.510 2.949 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)N[C@@H]1CCCc2ccccc21 ZINC000020578877 526511771 /nfs/dbraw/zinc/51/17/71/526511771.db2.gz AUMQERJZFJKFSW-OAQYLSRUSA-N 0 0 441.553 2.824 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000021600810 526521505 /nfs/dbraw/zinc/52/15/05/526521505.db2.gz GSFWPNZSIUACGQ-CVEARBPZSA-N 0 0 425.460 2.726 50 0 IFAARN O=C(CCS(=O)(=O)C1CCCC1)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000040131743 526535527 /nfs/dbraw/zinc/53/55/27/526535527.db2.gz LNRQFEYFTAVLTH-UHFFFAOYSA-N 0 0 434.514 2.591 50 0 IFAARN O=C(CCS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)NCc1ccccc1Cl ZINC000020984685 526536631 /nfs/dbraw/zinc/53/66/31/526536631.db2.gz DCUCZUJZYDCZHQ-UHFFFAOYSA-N 0 0 432.929 2.656 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)Nc1ccc(C(F)(F)F)cc1 ZINC000020510169 526537395 /nfs/dbraw/zinc/53/73/95/526537395.db2.gz FTTYMXZYXFAPOX-UHFFFAOYSA-N 0 0 428.388 2.839 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000020540755 526549335 /nfs/dbraw/zinc/54/93/35/526549335.db2.gz VRBDADCBNKHMBH-SFHVURJKSA-N 0 0 434.562 2.568 50 0 IFAARN O=C(CC[C@@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1)N1CCN(c2ccccn2)CC1 ZINC000012302868 526554309 /nfs/dbraw/zinc/55/43/09/526554309.db2.gz GFHCDGDLMNAHHO-IBGZPJMESA-N 0 0 446.555 2.939 50 0 IFAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)NCc2ccc4c(c2)OCO4)c(=O)n3C(C)C)no1 ZINC000033306807 526579893 /nfs/dbraw/zinc/57/98/93/526579893.db2.gz UOJFROCZTXYAIY-UHFFFAOYSA-N 0 0 449.467 2.787 50 0 IFAARN O=C(c1c[nH]nc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012525709 526584088 /nfs/dbraw/zinc/58/40/88/526584088.db2.gz ANGZOJZMRUHPFP-UHFFFAOYSA-N 0 0 430.917 2.877 50 0 IFAARN O=C(c1c[nH]nc1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012525079 526584386 /nfs/dbraw/zinc/58/43/86/526584386.db2.gz KEEUMKOVYNJERQ-UHFFFAOYSA-N 0 0 430.917 2.877 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000016651163 526595045 /nfs/dbraw/zinc/59/50/45/526595045.db2.gz ZJGOPKZYVGIYHN-UHFFFAOYSA-N 0 0 445.560 2.892 50 0 IFAARN O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012778150 526606363 /nfs/dbraw/zinc/60/63/63/526606363.db2.gz HDCRUYQWBFPNPK-UHFFFAOYSA-N 0 0 436.917 2.648 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4ccccn4)CC3)c2)no1 ZINC000035558004 526622712 /nfs/dbraw/zinc/62/27/12/526622712.db2.gz RFYLGWYHWNCGGT-UHFFFAOYSA-N 0 0 433.515 2.541 50 0 IFAARN O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCCc1c[nH]c2ccccc12 ZINC000021689943 526641782 /nfs/dbraw/zinc/64/17/82/526641782.db2.gz GSESSOOFMZKAJR-UHFFFAOYSA-N 0 0 435.509 2.857 50 0 IFAARN O=C(c1cc2ncc(Br)cn2n1)N1CCN(Cc2cccc(F)c2F)CC1 ZINC000022500551 526644739 /nfs/dbraw/zinc/64/47/39/526644739.db2.gz ATUNUZCAEZQKHX-UHFFFAOYSA-N 0 0 436.260 2.728 50 0 IFAARN O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000022653837 526655547 /nfs/dbraw/zinc/65/55/47/526655547.db2.gz JBQVTNNZNMOZKA-UHFFFAOYSA-N 0 0 448.907 2.812 50 0 IFAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012905584 526658414 /nfs/dbraw/zinc/65/84/14/526658414.db2.gz CQZDQTKSGXGHKS-UHFFFAOYSA-N 0 0 443.500 2.946 50 0 IFAARN O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012550383 526660590 /nfs/dbraw/zinc/66/05/90/526660590.db2.gz DSUVQEZBQWLUSA-UHFFFAOYSA-N 0 0 438.915 2.938 50 0 IFAARN O=C(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000012823660 526669154 /nfs/dbraw/zinc/66/91/54/526669154.db2.gz GPRVUDFDLDINJS-UHFFFAOYSA-N 0 0 440.503 2.836 50 0 IFAARN Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)c12 ZINC000012797931 526681704 /nfs/dbraw/zinc/68/17/04/526681704.db2.gz IHVXTFJRSPWTEF-UHFFFAOYSA-N 0 0 432.527 2.617 50 0 IFAARN O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000022484519 526684088 /nfs/dbraw/zinc/68/40/88/526684088.db2.gz FTGYHDPXKZBXPD-VXKWHMMOSA-N 0 0 448.567 2.930 50 0 IFAARN O=C(CCn1cnc2ccccc2c1=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021533735 526684431 /nfs/dbraw/zinc/68/44/31/526684431.db2.gz CEYABZDMLQRYJN-UHFFFAOYSA-N 0 0 445.445 2.939 50 0 IFAARN O=C(CN(C1CC1)S(=O)(=O)Cc1ccccc1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000035767842 526693840 /nfs/dbraw/zinc/69/38/40/526693840.db2.gz XOHMDUIMRYFWRV-NRFANRHFSA-N 0 0 432.542 2.782 50 0 IFAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012567459 526705805 /nfs/dbraw/zinc/70/58/05/526705805.db2.gz SOQIWNDXKZNZIE-UHFFFAOYSA-N 0 0 440.525 2.736 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)NCc1ccco1 ZINC000035445817 526715470 /nfs/dbraw/zinc/71/54/70/526715470.db2.gz RTAWKHMMYMFVCD-FQEVSTJZSA-N 0 0 436.512 2.538 50 0 IFAARN O=C(CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)NCc1ccco1 ZINC000035445815 526717763 /nfs/dbraw/zinc/71/77/63/526717763.db2.gz RTAWKHMMYMFVCD-HXUWFJFHSA-N 0 0 436.512 2.538 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 ZINC000021688476 526719237 /nfs/dbraw/zinc/71/92/37/526719237.db2.gz FMWUEHUBOSMGGD-UHFFFAOYSA-N 0 0 446.532 2.751 50 0 IFAARN O=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2ccccn2)CC1 ZINC000035404572 526724077 /nfs/dbraw/zinc/72/40/77/526724077.db2.gz YMEHUJBKZNVJIP-UHFFFAOYSA-N 0 0 446.530 2.844 50 0 IFAARN O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000017179138 526729998 /nfs/dbraw/zinc/72/99/98/526729998.db2.gz NEYLJPBIOMGIRK-IBGZPJMESA-N 0 0 446.525 2.835 50 0 IFAARN O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000012626893 526745482 /nfs/dbraw/zinc/74/54/82/526745482.db2.gz YSRDFSFAAKUJTE-UHFFFAOYSA-N 0 0 442.459 2.797 50 0 IFAARN O=C(NCc1ccccc1F)[C@H]1CCCN(c2nn3c(nc4c(c3=O)CCCC4)s2)C1 ZINC000021664026 526752631 /nfs/dbraw/zinc/75/26/31/526752631.db2.gz MQJQNKAQNPGSQC-HNNXBMFYSA-N 0 0 441.532 2.702 50 0 IFAARN O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000017908850 526764541 /nfs/dbraw/zinc/76/45/41/526764541.db2.gz ZPRYDFQENGIOSW-UHFFFAOYSA-N 0 0 432.395 2.871 50 0 IFAARN O=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000012557348 526764931 /nfs/dbraw/zinc/76/49/31/526764931.db2.gz JHWZGROREKWGNB-UHFFFAOYSA-N 0 0 436.537 2.523 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccccc2SCc2ccsc2)CC1)N1CCOCC1 ZINC000035334223 526766120 /nfs/dbraw/zinc/76/61/20/526766120.db2.gz YRUIQJDJMZIPDR-UHFFFAOYSA-N 0 0 445.610 2.657 50 0 IFAARN O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)NC[C@H]1CCCO1 ZINC000022781878 526766576 /nfs/dbraw/zinc/76/65/76/526766576.db2.gz JLKOOQMDJMQAQR-JOCHJYFZSA-N 0 0 429.511 2.967 50 0 IFAARN O=C(CN1CCN(Cc2ccc(F)cc2Cl)S1(=O)=O)NCc1ccccc1Cl ZINC000021729474 526774324 /nfs/dbraw/zinc/77/43/24/526774324.db2.gz ZKYBEDQUUUJXTN-UHFFFAOYSA-N 0 0 446.331 2.811 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000033527653 526778299 /nfs/dbraw/zinc/77/82/99/526778299.db2.gz MNUBQOOLSPNZGB-ZLKNRPIFSA-N 0 0 439.581 2.799 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1cccc(Cl)c1 ZINC000012870108 526779816 /nfs/dbraw/zinc/77/98/16/526779816.db2.gz KDVQAYNPCYCKSH-UHFFFAOYSA-N 0 0 433.961 2.774 50 0 IFAARN Cc1oc2cc(O[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 ZINC000009666033 526780995 /nfs/dbraw/zinc/78/09/95/526780995.db2.gz BMKTXQDWQOBCMN-DOTOQJQBSA-N 0 0 441.505 2.839 50 0 IFAARN O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000022793792 526781375 /nfs/dbraw/zinc/78/13/75/526781375.db2.gz DCDXZGSTZKCWCU-LJQANCHMSA-N 0 0 437.565 2.822 50 0 IFAARN O=C(NCc1cccs1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1 ZINC000017191111 526781623 /nfs/dbraw/zinc/78/16/23/526781623.db2.gz JZZZKXGFBKIZSH-KRWDZBQOSA-N 0 0 434.564 2.757 50 0 IFAARN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015727653 526794378 /nfs/dbraw/zinc/79/43/78/526794378.db2.gz XZNLATYRJJOLOM-UHFFFAOYSA-N 0 0 441.919 2.984 50 0 IFAARN O=C(c1ccccc1)N1CCN(Cc2cc(=O)n3nc(-c4ccc(F)cc4)sc3n2)CC1 ZINC000035509662 526794561 /nfs/dbraw/zinc/79/45/61/526794561.db2.gz KOGPUVDEVABGMQ-UHFFFAOYSA-N 0 0 449.511 2.915 50 0 IFAARN O=C(c1ccccc1F)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 ZINC000012162740 526805466 /nfs/dbraw/zinc/80/54/66/526805466.db2.gz XAVINHKZRPDTLH-UHFFFAOYSA-N 0 0 444.466 2.979 50 0 IFAARN O=C(NCc1coc(-c2cccs2)n1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000022699494 526808757 /nfs/dbraw/zinc/80/87/57/526808757.db2.gz LLUMZHMFGGMHGJ-MRXNPFEDSA-N 0 0 447.538 2.790 50 0 IFAARN O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(F)cc1Cl ZINC000012537432 526818252 /nfs/dbraw/zinc/81/82/52/526818252.db2.gz JXJIHUPOWPHXCE-IBGZPJMESA-N 0 0 433.867 2.544 50 0 IFAARN O=C(NCc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000012229929 526821581 /nfs/dbraw/zinc/82/15/81/526821581.db2.gz IKNNYINJEQBNTC-MRXNPFEDSA-N 0 0 435.509 2.716 50 0 IFAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCN(Cc2ccccc2)CC1 ZINC000020760446 526838400 /nfs/dbraw/zinc/83/84/00/526838400.db2.gz CLVGYEFGQKPNHQ-UHFFFAOYSA-N 0 0 431.540 2.580 50 0 IFAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000012325029 526838473 /nfs/dbraw/zinc/83/84/73/526838473.db2.gz SECRHLRZYCRYQD-UHFFFAOYSA-N 0 0 435.503 2.724 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012522463 526853247 /nfs/dbraw/zinc/85/32/47/526853247.db2.gz APFJHIUAGJMJDM-UHFFFAOYSA-N 0 0 426.698 2.774 50 0 IFAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCSc1ccc(Br)cc1 ZINC000012776837 526857539 /nfs/dbraw/zinc/85/75/39/526857539.db2.gz PWRYMCABXRUCSS-UHFFFAOYSA-N 0 0 437.315 2.816 50 0 IFAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)NC2CC2)CC1 ZINC000035554065 526865384 /nfs/dbraw/zinc/86/53/84/526865384.db2.gz VRKSOFVYIZIOIM-UHFFFAOYSA-N 0 0 436.559 2.663 50 0 IFAARN O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012558678 526885052 /nfs/dbraw/zinc/88/50/52/526885052.db2.gz DSJUNTWSSLLKFL-UHFFFAOYSA-N 0 0 448.907 2.812 50 0 IFAARN O=C(CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccccc1Cl ZINC000012599057 526894392 /nfs/dbraw/zinc/89/43/92/526894392.db2.gz BNYAXUIGIGKQMI-UHFFFAOYSA-N 0 0 427.885 2.551 50 0 IFAARN O=C(COC(=O)CCc1nc(-c2ccsc2)no1)Nc1ccccc1C(=O)NC1CC1 ZINC000022018174 526908240 /nfs/dbraw/zinc/90/82/40/526908240.db2.gz RNYZOBLKGNQOSR-UHFFFAOYSA-N 0 0 440.481 2.805 50 0 IFAARN O=C(COC(=O)c1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009661888 526916058 /nfs/dbraw/zinc/91/60/58/526916058.db2.gz IPWFQCWEECEMRZ-UHFFFAOYSA-N 0 0 438.505 2.530 50 0 IFAARN O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)N1CCC(c2ccccc2)=N1 ZINC000022321179 526949569 /nfs/dbraw/zinc/94/95/69/526949569.db2.gz VTBWKCGPGDUUNH-UHFFFAOYSA-N 0 0 441.491 2.971 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCCC[C@@H]1CCn1cc(C(=O)NC2CC2)nn1 ZINC000012205807 526951091 /nfs/dbraw/zinc/95/10/91/526951091.db2.gz KCSOIOINPWSPLW-QGZVFWFLSA-N 0 0 431.924 2.674 50 0 IFAARN O=C(COc1ccc(F)cc1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000035536781 526957110 /nfs/dbraw/zinc/95/71/10/526957110.db2.gz CAOWMLAPNWEWOC-UHFFFAOYSA-N 0 0 426.897 2.827 50 0 IFAARN O=C(COc1ccc(F)cc1)N1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000035534553 526958701 /nfs/dbraw/zinc/95/87/01/526958701.db2.gz KESQALDFAACRHQ-UHFFFAOYSA-N 0 0 442.878 2.753 50 0 IFAARN NC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c2ccccc2O1 ZINC000012608366 526980702 /nfs/dbraw/zinc/98/07/02/526980702.db2.gz SJPDPHYNFUOECA-NRFANRHFSA-N 0 0 430.464 2.630 50 0 IFAARN O=C(COc1ccccc1C(=O)OCC(=O)NC1CC1)Nc1ccc(Br)cc1 ZINC000020819850 526989335 /nfs/dbraw/zinc/98/93/35/526989335.db2.gz PYTSHXWDVFHHFQ-UHFFFAOYSA-N 0 0 447.285 2.902 50 0 IFAARN O=C1CCc2cc(S(=O)(=O)Nc3cc4c(cc3Br)OCCO4)ccc2N1 ZINC000018707698 526999728 /nfs/dbraw/zinc/99/97/28/526999728.db2.gz AUBIJVSAXRNSLW-UHFFFAOYSA-N 0 0 439.287 2.906 50 0 IFAARN O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)Nc1ccccc1 ZINC000022852799 527002846 /nfs/dbraw/zinc/00/28/46/527002846.db2.gz BOVOMZSIBCONJS-UHFFFAOYSA-N 0 0 433.508 2.975 50 0 IFAARN O=C1CS(=O)(=O)[C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)N1c1ccccc1 ZINC000020577520 527014805 /nfs/dbraw/zinc/01/48/05/527014805.db2.gz RFYBIBNZDMSGAH-HSZRJFAPSA-N 0 0 436.464 2.987 50 0 IFAARN O=C1CS(=O)(=O)[C@]2(c3ccccc3N(Cc3ccccc3)C2=O)N1c1cccc(F)c1 ZINC000020577192 527014958 /nfs/dbraw/zinc/01/49/58/527014958.db2.gz AXQQUVBAIQODLT-QHCPKHFHSA-N 0 0 436.464 2.987 50 0 IFAARN Cc1nc(SCC(=O)N(C)Cc2ccccc2Br)sc1CC(N)=O ZINC000022486765 527015300 /nfs/dbraw/zinc/01/53/00/527015300.db2.gz MLWHSDOFPYOAAG-UHFFFAOYSA-N 0 0 428.377 2.993 50 0 IFAARN Cn1c(-c2ccncc2)nn(CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1=S ZINC000012913835 527018312 /nfs/dbraw/zinc/01/83/12/527018312.db2.gz ZRSNJJZVZCBMHP-HNNXBMFYSA-N 0 0 435.600 2.721 50 0 IFAARN Cn1c(-c2ccncc2)nn(CN(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1=S ZINC000012913831 527018694 /nfs/dbraw/zinc/01/86/94/527018694.db2.gz ZRSNJJZVZCBMHP-OAHLLOKOSA-N 0 0 435.600 2.721 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)COC(=O)CCc1nc(-c3ccsc3)no1)CCC2 ZINC000022016263 527021777 /nfs/dbraw/zinc/02/17/77/527021777.db2.gz VTWFKYUNYWPFAK-UHFFFAOYSA-N 0 0 446.510 2.562 50 0 IFAARN O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)Nc1ccc(F)c(F)c1 ZINC000033277143 527036652 /nfs/dbraw/zinc/03/66/52/527036652.db2.gz YXWGHLARAYNOLU-UHFFFAOYSA-N 0 0 447.511 2.981 50 0 IFAARN O=C1N(CN2CCOCC2)c2ccccc2[C@@]12OC[C@H](COc1ccc(Cl)cc1)O2 ZINC000020494798 527037645 /nfs/dbraw/zinc/03/76/45/527037645.db2.gz HSRQKNLJNNFPDB-AVRDEDQJSA-N 0 0 430.888 2.624 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NCCc1c[nH]c2ccccc12 ZINC000012542404 527038081 /nfs/dbraw/zinc/03/80/81/527038081.db2.gz ZQSPFTRUCNCPPB-UHFFFAOYSA-N 0 0 444.582 2.798 50 0 IFAARN O=C(CSc1cccc[n+]1[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023324680 527040862 /nfs/dbraw/zinc/04/08/62/527040862.db2.gz BDIYMACWHQZLQH-UHFFFAOYSA-N 0 0 432.855 2.828 50 0 IFAARN NC(=O)c1ccc(C(F)(F)F)n(Cc2nnc(-c3ccccc3Br)o2)c1=O ZINC000023107581 527043853 /nfs/dbraw/zinc/04/38/53/527043853.db2.gz RPBGSLMWBJTBRN-UHFFFAOYSA-N 0 0 443.179 2.827 50 0 IFAARN O=C1NC(=O)[C@@](CCCCCC[C@@]2(c3ccccc3)NC(=O)NC2=O)(c2ccccc2)N1 ZINC000018284541 527052564 /nfs/dbraw/zinc/05/25/64/527052564.db2.gz TZOQNPJTEOEUQT-PSWAGMNNSA-N 0 0 434.496 2.797 50 0 IFAARN O=C(CSc1nc(=O)n([C@@H]2CCS(=O)(=O)C2)c2c1CCC2)c1ccc(Cl)cc1 ZINC000021800751 527053168 /nfs/dbraw/zinc/05/31/68/527053168.db2.gz VHPMXWCLCHIIGO-CQSZACIVSA-N 0 0 438.958 2.720 50 0 IFAARN Cn1c(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)nc2ccccc21 ZINC000012540396 527059308 /nfs/dbraw/zinc/05/93/08/527059308.db2.gz COPKWKASDMEMCB-RUZDIDTESA-N 0 0 441.491 2.810 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)NC(=O)NC1CCCCC1 ZINC000012622667 527061871 /nfs/dbraw/zinc/06/18/71/527061871.db2.gz LPTYTXGROAWSET-MRXNPFEDSA-N 0 0 444.557 2.826 50 0 IFAARN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012918380 527063049 /nfs/dbraw/zinc/06/30/49/527063049.db2.gz RYBDMYQQJIFORC-SFHVURJKSA-N 0 0 436.530 2.814 50 0 IFAARN NC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)cc1 ZINC000024761929 527065060 /nfs/dbraw/zinc/06/50/60/527065060.db2.gz MTPLTSWDIXDXBY-UHFFFAOYSA-N 0 0 429.523 2.620 50 0 IFAARN O=C(CSc1ncnc2sccc21)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000012549418 527074955 /nfs/dbraw/zinc/07/49/55/527074955.db2.gz VXQCMQRJWYAZPI-HNNXBMFYSA-N 0 0 433.580 2.999 50 0 IFAARN O=C(Nc1c(F)cccc1F)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 ZINC000021150502 527091856 /nfs/dbraw/zinc/09/18/56/527091856.db2.gz KUNSPMRMYXTYFV-UHFFFAOYSA-N 0 0 433.850 2.944 50 0 IFAARN Cn1c2c(nc(-c3ccc(Br)cc3)nc2C(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000035508458 527092039 /nfs/dbraw/zinc/09/20/39/527092039.db2.gz GCXHEIPUUSCQOR-UHFFFAOYSA-N 0 0 442.248 2.787 50 0 IFAARN Cn1c2c(cn3c2[C@@H](c2coc4ccccc4c2=O)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021659204 527092158 /nfs/dbraw/zinc/09/21/58/527092158.db2.gz SDCYMJRRTNBEHT-LJQANCHMSA-N 0 0 426.432 2.649 50 0 IFAARN Cn1c2c(cn3c2[C@H](c2coc4ccccc4c2=O)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021659205 527093023 /nfs/dbraw/zinc/09/30/23/527093023.db2.gz SDCYMJRRTNBEHT-IBGZPJMESA-N 0 0 426.432 2.649 50 0 IFAARN NC(=O)c1nn(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c(=O)c2ccccc21 ZINC000009712052 527104710 /nfs/dbraw/zinc/10/47/10/527104710.db2.gz VRLQLRXZGWSSLW-QGZVFWFLSA-N 0 0 447.520 2.859 50 0 IFAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012878419 527109074 /nfs/dbraw/zinc/10/90/74/527109074.db2.gz HFQGEDUBUNUDLP-ZIAGYGMSSA-N 0 0 428.842 2.785 50 0 IFAARN Cc1nc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc4c(c3)OCCCO4)ccc2o1 ZINC000024013421 527128560 /nfs/dbraw/zinc/12/85/60/527128560.db2.gz IPTRSIKNSIMLHG-LBPRGKRZSA-N 0 0 431.470 2.603 50 0 IFAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)Nc1nccs1 ZINC000012233430 527136653 /nfs/dbraw/zinc/13/66/53/527136653.db2.gz WYAULMXDSRORSX-GFCCVEGCSA-N 0 0 428.474 2.853 50 0 IFAARN O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000020933031 527136889 /nfs/dbraw/zinc/13/68/89/527136889.db2.gz CDNIGGPEENJRES-UHFFFAOYSA-N 0 0 433.489 2.672 50 0 IFAARN Cc1nc2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2s1 ZINC000009662481 527143247 /nfs/dbraw/zinc/14/32/47/527143247.db2.gz LOYSMEXTGDLFAE-UHFFFAOYSA-N 0 0 437.568 2.868 50 0 IFAARN O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000035559151 527145062 /nfs/dbraw/zinc/14/50/62/527145062.db2.gz ORKPXEBPIWKXLD-HXUWFJFHSA-N 0 0 434.945 2.877 50 0 IFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCCc1cscn1 ZINC000020859633 527151988 /nfs/dbraw/zinc/15/19/88/527151988.db2.gz VVKQYDDNGXHHAF-QFIPXVFZSA-N 0 0 434.565 2.860 50 0 IFAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc2c(c1)OCO2 ZINC000012233181 527180280 /nfs/dbraw/zinc/18/02/80/527180280.db2.gz JEJBJHLNYHTPNF-HNNXBMFYSA-N 0 0 447.476 2.987 50 0 IFAARN O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)s1 ZINC000033263546 527182277 /nfs/dbraw/zinc/18/22/77/527182277.db2.gz ANCILMGSUNADDN-CYBMUJFWSA-N 0 0 447.948 2.918 50 0 IFAARN O=C(Cc1c(F)cc(F)cc1F)N1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1 ZINC000012611997 527197488 /nfs/dbraw/zinc/19/74/88/527197488.db2.gz BGYTYGZUAAEXMD-ZDUSSCGKSA-N 0 0 436.434 2.682 50 0 IFAARN O=C(Nc1ccc(F)cc1)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000035428519 527199572 /nfs/dbraw/zinc/19/95/72/527199572.db2.gz AVCHAZVCIFZXOS-UHFFFAOYSA-N 0 0 442.466 2.832 50 0 IFAARN O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCCC2)c1)c1ccco1 ZINC000035991993 527226995 /nfs/dbraw/zinc/22/69/95/527226995.db2.gz UEWTYSFAYYMLDX-UHFFFAOYSA-N 0 0 436.512 2.827 50 0 IFAARN O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000012879569 527231364 /nfs/dbraw/zinc/23/13/64/527231364.db2.gz QMGDYUSGCCWYSE-UHFFFAOYSA-N 0 0 430.448 2.896 50 0 IFAARN O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)cc1 ZINC000012930088 527235220 /nfs/dbraw/zinc/23/52/20/527235220.db2.gz NHEDCZCYYSNOQV-SFHVURJKSA-N 0 0 425.348 2.801 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc(N2CCCC2=O)cc1 ZINC000012694612 527244195 /nfs/dbraw/zinc/24/41/95/527244195.db2.gz AVPDPAJBYKXJBO-UHFFFAOYSA-N 0 0 433.555 2.841 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1=C(c2ccccc2)SCCO1 ZINC000012391377 527254761 /nfs/dbraw/zinc/25/47/61/527254761.db2.gz OQMCVYQACYQNTM-UHFFFAOYSA-N 0 0 446.550 2.778 50 0 IFAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(N3CCCC3)nn2)CC1 ZINC000020555145 527270342 /nfs/dbraw/zinc/27/03/42/527270342.db2.gz LYLGEUNSTDSMHN-UHFFFAOYSA-N 0 0 442.372 2.895 50 0 IFAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CN2CCSC2=S)CC1 ZINC000012758647 527270534 /nfs/dbraw/zinc/27/05/34/527270534.db2.gz CTPPVTKINOXNQE-UHFFFAOYSA-N 0 0 426.416 2.591 50 0 IFAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000012139913 527273069 /nfs/dbraw/zinc/27/30/69/527273069.db2.gz VSWOTIJDRMNRPR-UHFFFAOYSA-N 0 0 447.412 2.812 50 0 IFAARN Cc1ncc(CO)c2cc(C(=O)Nc3ccc(I)cc3)c(=O)oc12 ZINC000002955867 527281703 /nfs/dbraw/zinc/28/17/03/527281703.db2.gz SEXZUMAMIWXQDA-UHFFFAOYSA-N 0 0 436.205 2.846 50 0 IFAARN O=S(=O)(c1cccc(Br)c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000012766480 527282975 /nfs/dbraw/zinc/28/29/75/527282975.db2.gz ZGFZFFUTMSHECL-UHFFFAOYSA-N 0 0 437.359 2.891 50 0 IFAARN O=S(=O)(c1cccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1)N1CCOCC1 ZINC000022241031 527283774 /nfs/dbraw/zinc/28/37/74/527283774.db2.gz AMKLMDJCDKMBKB-NRFANRHFSA-N 0 0 444.553 2.816 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024610094 527284902 /nfs/dbraw/zinc/28/49/02/527284902.db2.gz OZVKDAPYCRMLJG-UHFFFAOYSA-N 0 0 434.489 2.777 50 0 IFAARN O=S(=O)(c1cccnc1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000035598309 527291942 /nfs/dbraw/zinc/29/19/42/527291942.db2.gz GRDIZWJEGDVTLV-UHFFFAOYSA-N 0 0 447.564 2.986 50 0 IFAARN NS(=O)(=O)Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 ZINC000012757861 527295923 /nfs/dbraw/zinc/29/59/23/527295923.db2.gz FEYPRVUTNFZZHJ-UHFFFAOYSA-N 0 0 431.901 2.591 50 0 IFAARN NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCc2cccc3ccccc32)c1 ZINC000022176209 527315059 /nfs/dbraw/zinc/31/50/59/527315059.db2.gz OVUBUAIOUKPAFJ-UHFFFAOYSA-N 0 0 426.494 2.681 50 0 IFAARN Cc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)c1cnsn1)C2 ZINC000012151788 527316093 /nfs/dbraw/zinc/31/60/93/527316093.db2.gz YQIVOPSUNSLLJM-SNAWJCMRSA-N 0 0 425.539 2.831 50 0 IFAARN Cc1ncc2c(c1CNC(=O)CSc1ccccc1)CCN(C(=O)[C@@H]1CCCO1)C2 ZINC000011913441 527316142 /nfs/dbraw/zinc/31/61/42/527316142.db2.gz GHCQFMOBNJRMGB-NRFANRHFSA-N 0 0 425.554 2.862 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1 ZINC000012551585 527320812 /nfs/dbraw/zinc/32/08/12/527320812.db2.gz WKIMEFRBTOFRRT-UHFFFAOYSA-N 0 0 443.554 2.582 50 0 IFAARN O=C(Cc1nnc(NC(=O)Nc2ccc3c(c2)OCCO3)s1)NCc1ccccc1 ZINC000021703748 527344069 /nfs/dbraw/zinc/34/40/69/527344069.db2.gz VJXQKFUFJRFSMY-UHFFFAOYSA-N 0 0 425.470 2.812 50 0 IFAARN O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1cccc(Cl)c1 ZINC000012360191 527351091 /nfs/dbraw/zinc/35/10/91/527351091.db2.gz FPELEBCSGBUHKE-UHFFFAOYSA-N 0 0 425.872 2.766 50 0 biogenic,in-vitro IFAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000012734261 527370043 /nfs/dbraw/zinc/37/00/43/527370043.db2.gz LDSSPRVCGCGRHU-UHFFFAOYSA-N 0 0 430.313 2.578 50 0 IFAARN Cn1ccc2cc(S(=O)(=O)N3CCN(C(=O)Nc4cc(F)ccc4F)CC3)ccc21 ZINC000021938856 527373909 /nfs/dbraw/zinc/37/39/09/527373909.db2.gz XPJRXLLAPYKADF-UHFFFAOYSA-N 0 0 434.468 2.995 50 0 IFAARN Cn1cccc1-c1cc2n(n1)CCCN2C(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000021532899 527382758 /nfs/dbraw/zinc/38/27/58/527382758.db2.gz VFGXFTLZVQLNGI-UHFFFAOYSA-N 0 0 446.555 2.754 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)N1CCCc2ccccc21 ZINC000035506061 527391448 /nfs/dbraw/zinc/39/14/48/527391448.db2.gz NQXSFPFIMXWKKK-UHFFFAOYSA-N 0 0 428.448 2.871 50 0 IFAARN O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)NCc1ccc(Cl)cc1 ZINC000015767759 527397776 /nfs/dbraw/zinc/39/77/76/527397776.db2.gz SHJHDFCKXAAGFN-UHFFFAOYSA-N 0 0 430.917 2.604 50 0 IFAARN O=C(Cn1cnc2cc(I)ccc2c1=O)c1ccc2c(c1)OCCO2 ZINC000012375057 527402567 /nfs/dbraw/zinc/40/25/67/527402567.db2.gz OJQBHLHOXCDDRT-UHFFFAOYSA-N 0 0 448.216 2.655 50 0 IFAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc(Br)ccc1-n1cnnn1 ZINC000012389950 527407748 /nfs/dbraw/zinc/40/77/48/527407748.db2.gz REMSOJUBRHRNBF-UHFFFAOYSA-N 0 0 441.289 2.913 50 0 IFAARN O=C(Cn1nc(-c2cccs2)oc1=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000021523480 527413802 /nfs/dbraw/zinc/41/38/02/527413802.db2.gz GJVBDECHKBXOJA-ZDUSSCGKSA-N 0 0 438.387 2.871 50 0 IFAARN O=C(Nc1ccccc1Cc1ccccc1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000012897021 527414614 /nfs/dbraw/zinc/41/46/14/527414614.db2.gz WRPYDZPMNRUGPK-UHFFFAOYSA-N 0 0 449.532 2.650 50 0 IFAARN O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)NCc1ccc2c(c1)OCO2 ZINC000022767895 527415988 /nfs/dbraw/zinc/41/59/88/527415988.db2.gz JFGKSHOJAKQLSU-UHFFFAOYSA-N 0 0 443.463 2.505 50 0 IFAARN O=C(Nc1ccccc1I)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000012797980 527424328 /nfs/dbraw/zinc/42/43/28/527424328.db2.gz MRSOSIABRIMILC-UHFFFAOYSA-N 0 0 442.278 2.984 50 0 IFAARN O=C(Nc1ccccc1N1CCOCC1)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000012550302 527427530 /nfs/dbraw/zinc/42/75/30/527427530.db2.gz CIZICQKCOUVGCT-UHFFFAOYSA-N 0 0 441.509 2.847 50 0 IFAARN Nc1c(N(Cc2ccccc2)C(=O)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000009516398 527435440 /nfs/dbraw/zinc/43/54/40/527435440.db2.gz NLDSZOPENKXHML-UHFFFAOYSA-N 0 0 440.503 2.943 50 0 IFAARN Cc1ncsc1C(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020500255 527478557 /nfs/dbraw/zinc/47/85/57/527478557.db2.gz VJBLSYDQUSMBLG-SFHVURJKSA-N 0 0 428.558 2.603 50 0 IFAARN O=c1cc(CSc2nc3nccnc3c(=O)n2Cc2ccccc2)nc2ccccn12 ZINC000020902193 527480715 /nfs/dbraw/zinc/48/07/15/527480715.db2.gz ZQTCIGWFVWYHHR-UHFFFAOYSA-N 0 0 428.477 2.535 50 0 IFAARN O=c1ccc(-c2ccc(S(=O)(=O)NCCOc3cccc(C(F)(F)F)c3)s2)n[nH]1 ZINC000020762439 527483355 /nfs/dbraw/zinc/48/33/55/527483355.db2.gz YNVOAMSMDLVMBN-UHFFFAOYSA-N 0 0 445.444 2.875 50 0 IFAARN O=c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)s2)n[nH]1 ZINC000020574723 527484300 /nfs/dbraw/zinc/48/43/00/527484300.db2.gz YAHXBOVDABEZLL-UHFFFAOYSA-N 0 0 436.946 2.663 50 0 IFAARN O=C(NC1CCCCCC1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012551917 527519159 /nfs/dbraw/zinc/51/91/59/527519159.db2.gz HZCPZGOEHCEUJP-UHFFFAOYSA-N 0 0 445.379 2.923 50 0 IFAARN O=C(Nc1ncccc1O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000012752578 527522132 /nfs/dbraw/zinc/52/21/32/527522132.db2.gz NUHGTQCODTURTC-LBPRGKRZSA-N 0 0 440.319 2.589 50 0 IFAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000023951536 527523564 /nfs/dbraw/zinc/52/35/64/527523564.db2.gz QMNLEXNFZLNLSA-UHFFFAOYSA-N 0 0 445.479 2.758 50 0 IFAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)NCCCc1ccccc1 ZINC000020603414 527531647 /nfs/dbraw/zinc/53/16/47/527531647.db2.gz HESFMBQMSMAMTB-UHFFFAOYSA-N 0 0 448.571 2.797 50 0 IFAARN O=C(Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1)c1ccc2c(c1)OCO2 ZINC000020984145 527535960 /nfs/dbraw/zinc/53/59/60/527535960.db2.gz CBTSVJAPOHFCIR-UHFFFAOYSA-N 0 0 445.507 2.881 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1CN1CCN(CN2C(=O)c3ccccc3C2=O)CC1 ZINC000020613971 527541630 /nfs/dbraw/zinc/54/16/30/527541630.db2.gz ZGYBJIWWCOKVDH-UHFFFAOYSA-N 0 0 429.524 2.860 50 0 IFAARN Cc1nn(C(=O)COc2ccccc2)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 ZINC000015865227 527574717 /nfs/dbraw/zinc/57/47/17/527574717.db2.gz UQWQDXHNKAJDKA-UHFFFAOYSA-N 0 0 425.510 2.966 50 0 IFAARN Nn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc(Cc2ccccc2)c1=O ZINC000012348233 527584052 /nfs/dbraw/zinc/58/40/52/527584052.db2.gz PUFKNXFXIFQETB-UHFFFAOYSA-N 0 0 436.324 2.981 50 0 IFAARN Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000022062159 527584653 /nfs/dbraw/zinc/58/46/53/527584653.db2.gz HYMMPAJYOGBRRF-UHFFFAOYSA-N 0 0 438.481 2.991 50 0 IFAARN Cn1ncc2c1ncnc2N1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000012848937 527587540 /nfs/dbraw/zinc/58/75/40/527587540.db2.gz HZLYIVILQJAPQL-UHFFFAOYSA-N 0 0 427.512 2.938 50 0 IFAARN Cn1ncc2c1ncnc2SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000021754666 527588864 /nfs/dbraw/zinc/58/88/64/527588864.db2.gz SFZJCPLSCZBQNY-INIZCTEOSA-N 0 0 425.514 2.980 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000035426172 527590309 /nfs/dbraw/zinc/59/03/09/527590309.db2.gz WPNIQFMLTBBCHI-UHFFFAOYSA-N 0 0 429.546 2.709 50 0 IFAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCC(=O)NCc1ccco1 ZINC000012532200 527617947 /nfs/dbraw/zinc/61/79/47/527617947.db2.gz UQIMSHIYXKZDED-FMIVXFBMSA-N 0 0 446.525 2.717 50 0 IFAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)c(F)c1F ZINC000033470039 527656359 /nfs/dbraw/zinc/65/63/59/527656359.db2.gz UBUXHEKDKYNPHU-BAQGIRSFSA-N 0 0 426.416 2.777 50 0 IFAARN Cc1nn(CC(=O)NCCc2c[nH]c3ccccc23)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000012817253 527702171 /nfs/dbraw/zinc/70/21/71/527702171.db2.gz GPNDPNQZRYTDHW-UHFFFAOYSA-N 0 0 443.573 2.515 50 0 IFAARN CCCCN(C(=O)CN1CCCc2ccccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000006510073 535179619 /nfs/dbraw/zinc/17/96/19/535179619.db2.gz FGVVWQCSIUOFNA-UHFFFAOYSA-N 0 0 427.549 2.505 50 0 IFAARN CC[C@@H](C(=O)N1CCN(c2cccc(OC)c2)CC1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000008965043 535403149 /nfs/dbraw/zinc/40/31/49/535403149.db2.gz PQZNXTQAIIXNMZ-IBGZPJMESA-N 0 0 449.511 2.859 50 0 IFAARN CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009615878 535483144 /nfs/dbraw/zinc/48/31/44/535483144.db2.gz PFCIUBMXJMIZBJ-UHFFFAOYSA-N 0 0 440.529 2.628 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(F)cc2)c1 ZINC000009983875 535633238 /nfs/dbraw/zinc/63/32/38/535633238.db2.gz CMRUKAHJMACAQC-UHFFFAOYSA-N 0 0 435.521 2.945 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2cccc(C)c2C)[C@](C)(C(=O)NC2CCCCCC2)C1 ZINC000008590628 535656456 /nfs/dbraw/zinc/65/64/56/535656456.db2.gz NGLJHLQKRVMBDM-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000013627748 535704965 /nfs/dbraw/zinc/70/49/65/535704965.db2.gz VRSLVORUCUUSML-SZNDQCEHSA-N 0 0 438.484 2.615 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)CCCN2C(=O)CSc3nc(C)cc(C)c32)CC1 ZINC000004056875 535769389 /nfs/dbraw/zinc/76/93/89/535769389.db2.gz KWAGVRFOAUYTAZ-UHFFFAOYSA-N 0 0 434.562 2.654 50 0 IFAARN CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CCN(c4ccccc4)C[C@H]32)C1=O ZINC000008768172 536320865 /nfs/dbraw/zinc/32/08/65/536320865.db2.gz KYJQXUSOYBKPOD-IBGZPJMESA-N 0 0 438.915 2.628 50 0 IFAARN COCCCNC(=O)c1sc2nc(C)nc(N3CCN(c4ccccn4)CC3)c2c1C ZINC000002911896 536588678 /nfs/dbraw/zinc/58/86/78/536588678.db2.gz NXMHOFOCSGAGBM-UHFFFAOYSA-N 0 0 440.573 2.796 50 0 IFAARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC ZINC000003259725 536594525 /nfs/dbraw/zinc/59/45/25/536594525.db2.gz JHXHOFSMLZFPFP-ONNFQVAWSA-N 0 0 426.469 2.736 50 0 IFAARN COc1ccc(/C=C\C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC ZINC000006181921 536612635 /nfs/dbraw/zinc/61/26/35/536612635.db2.gz JHXHOFSMLZFPFP-WMZJFQQLSA-N 0 0 426.469 2.736 50 0 IFAARN COc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(Br)cc2)CN=3)cc1 ZINC000002258205 536613664 /nfs/dbraw/zinc/61/36/64/536613664.db2.gz CBLQWXIPCHOKEC-YVLHZVERSA-N 0 0 430.327 2.565 50 0 IFAARN COc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000010542588 536969325 /nfs/dbraw/zinc/96/93/25/536969325.db2.gz LZSWKTYQOFCBTD-QGZVFWFLSA-N 0 0 439.537 2.836 50 0 IFAARN Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(SC(F)(F)F)cc1 ZINC000000538476 555510344 /nfs/dbraw/zinc/51/03/44/555510344.db2.gz OCINXEZVIIVXFU-UHFFFAOYSA-N 0 0 425.388 2.937 50 0 in-man IFAARN O=C(Nc1ccccc1)c1ccc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 ZINC000009223641 555510725 /nfs/dbraw/zinc/51/07/25/555510725.db2.gz WRNJATXFHZZSAA-UHFFFAOYSA-N 0 0 437.521 2.933 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000000631401 555514797 /nfs/dbraw/zinc/51/47/97/555514797.db2.gz JSBZIBSZMZQZKI-GTVARFKMSA-N 0 0 440.546 2.868 50 0 IFAARN CCOc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1S(C)(=O)=O ZINC000000645044 555520191 /nfs/dbraw/zinc/52/01/91/555520191.db2.gz FCFFTXRYNRPRTB-GOSISDBHSA-N 0 0 437.543 2.568 50 0 IFAARN COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)cc(OC)c1OC ZINC000000646456 555521019 /nfs/dbraw/zinc/52/10/19/555521019.db2.gz VOZRLNPYBXJLPL-IBGZPJMESA-N 0 0 436.472 2.935 50 0 IFAARN COc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c(OC)c1 ZINC000000652468 555523281 /nfs/dbraw/zinc/52/32/81/555523281.db2.gz NVDULPPBLSYVJS-UHFFFAOYSA-N 0 0 428.894 2.771 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000653649 555524143 /nfs/dbraw/zinc/52/41/43/555524143.db2.gz VFLXYRPQTHFWTK-SQWSFHKJSA-N 0 0 438.505 2.708 50 0 IFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000000665891 555528302 /nfs/dbraw/zinc/52/83/02/555528302.db2.gz BXMLMQHHDRRZBY-UHFFFAOYSA-N 0 0 441.509 2.532 50 0 IFAARN CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C(=O)OCC)[C@@]12c1ccccc1NC2=O ZINC000000705806 555544604 /nfs/dbraw/zinc/54/46/04/555544604.db2.gz DXLLVZFXTGLYEM-DEOSSOPVSA-N 0 0 434.448 2.615 50 0 IFAARN CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCc2ccccc2)[C@@]12c1ccccc1NC2=O ZINC000000714549 555548265 /nfs/dbraw/zinc/54/82/65/555548265.db2.gz TWYBNKKRQHKNIK-XMMPIXPASA-N 0 0 434.448 2.658 50 0 IFAARN Cc1ccc(N(Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)S(C)(=O)=O)cc1C ZINC000000784327 555555871 /nfs/dbraw/zinc/55/58/71/555555871.db2.gz RSFZCABSTQSIIW-UHFFFAOYSA-N 0 0 443.569 2.607 50 0 IFAARN CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000785337 555556099 /nfs/dbraw/zinc/55/60/99/555556099.db2.gz HFCLZBPHDUPRKQ-UHFFFAOYSA-N 0 0 448.541 2.920 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2OC)cc1 ZINC000000785479 555556373 /nfs/dbraw/zinc/55/63/73/555556373.db2.gz RGEKIVWPLWSVCK-UHFFFAOYSA-N 0 0 427.482 2.933 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccc2c(c1)OCO2 ZINC000000816599 555562898 /nfs/dbraw/zinc/56/28/98/555562898.db2.gz PXZWCGYPMBOSSO-UHFFFAOYSA-N 0 0 427.276 2.583 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)cc1OC ZINC000000839922 555567914 /nfs/dbraw/zinc/56/79/14/555567914.db2.gz INBOVPNSEKYQEH-SFHVURJKSA-N 0 0 448.541 2.503 50 0 IFAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)cc1OC ZINC000000844470 555569017 /nfs/dbraw/zinc/56/90/17/555569017.db2.gz ZJDBVOMWHHMFEY-HXUWFJFHSA-N 0 0 426.425 2.804 50 0 IFAARN CCCCn1c2nc(COC(=O)[C@H](CC)Oc3ccccc3)n(CCC)c2c(=O)[nH]c1=O ZINC000009464679 555575229 /nfs/dbraw/zinc/57/52/29/555575229.db2.gz NDRFBPIYKZBNHO-KRWDZBQOSA-N 0 0 442.516 2.997 50 0 IFAARN O=C(COc1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000000899962 555580889 /nfs/dbraw/zinc/58/08/89/555580889.db2.gz ONULPWZUFPBYJL-UHFFFAOYSA-N 0 0 428.485 2.891 50 0 IFAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CCOCC1 ZINC000000921594 555584703 /nfs/dbraw/zinc/58/47/03/555584703.db2.gz UHDOFEUKNWSEJI-UHFFFAOYSA-N 0 0 445.379 2.631 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 ZINC000000945338 555587919 /nfs/dbraw/zinc/58/79/19/555587919.db2.gz RPFPWJXYRLJCTE-SFHVURJKSA-N 0 0 438.436 2.519 50 0 IFAARN COc1ccc(OC)c(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1 ZINC000009585218 555591552 /nfs/dbraw/zinc/59/15/52/555591552.db2.gz HZSIPVVPVXCCFS-UXBLZVDNSA-N 0 0 444.553 2.867 50 0 IFAARN COc1cccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000000971939 555591765 /nfs/dbraw/zinc/59/17/65/555591765.db2.gz HGFCFTIDNTZQMU-UHFFFAOYSA-N 0 0 439.493 2.628 50 0 IFAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)C1 ZINC000001033488 555606831 /nfs/dbraw/zinc/60/68/31/555606831.db2.gz RWTRHJFUUUCJIM-AWEZNQCLSA-N 0 0 443.568 2.545 50 0 IFAARN CCOC(=O)c1cc(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCCO4)cc2o1 ZINC000001033457 555606838 /nfs/dbraw/zinc/60/68/38/555606838.db2.gz FKGMYJDMUFEUCY-UHFFFAOYSA-N 0 0 425.393 2.758 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(N3C(=O)CC4(CCCC4)C3=O)c(Cl)c2)C[C@@H](C)O1 ZINC000001048428 555611757 /nfs/dbraw/zinc/61/17/57/555611757.db2.gz MDMQRDBZVDDIAP-ZIAGYGMSSA-N 0 0 440.949 2.962 50 0 IFAARN COc1ccc(C(=O)CSc2nnc(CCNC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000001059206 555615729 /nfs/dbraw/zinc/61/57/29/555615729.db2.gz CUZHSXQEHNWTBN-UHFFFAOYSA-N 0 0 440.525 2.780 50 0 IFAARN COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 ZINC000001059794 555615772 /nfs/dbraw/zinc/61/57/72/555615772.db2.gz OTWDQUXGDFLIEK-UHFFFAOYSA-N 0 0 443.504 2.666 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 ZINC000001061245 555616401 /nfs/dbraw/zinc/61/64/01/555616401.db2.gz QQDSPHGTCOTEJC-UHFFFAOYSA-N 0 0 431.297 2.805 50 0 IFAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(I)ccc1OC ZINC000001074603 555623243 /nfs/dbraw/zinc/62/32/43/555623243.db2.gz FNQKGFOASXCXPA-ZDUSSCGKSA-N 0 0 432.283 2.656 50 0 IFAARN CCOC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@H]1c1ccc(Cl)cc1 ZINC000001076506 555624358 /nfs/dbraw/zinc/62/43/58/555624358.db2.gz RWZPGZUNGRUYDQ-ZWNOBZJWSA-N 0 0 436.917 2.909 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccc2c(c1)OCO2 ZINC000001078740 555625654 /nfs/dbraw/zinc/62/56/54/555625654.db2.gz PCNWKIRYWUIJQH-UHFFFAOYSA-N 0 0 427.276 2.583 50 0 IFAARN CNC(=O)COc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc43)cc2)cc1 ZINC000001112649 555632680 /nfs/dbraw/zinc/63/26/80/555632680.db2.gz LVZGPVZGQYGWFU-UHFFFAOYSA-N 0 0 442.475 2.978 50 0 IFAARN COc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc43)cc2)cc1C(N)=O ZINC000001114802 555633675 /nfs/dbraw/zinc/63/36/75/555633675.db2.gz NVSLDLNDYLUYNX-UHFFFAOYSA-N 0 0 428.448 2.960 50 0 IFAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000001119397 555636442 /nfs/dbraw/zinc/63/64/42/555636442.db2.gz MUZQPUGLGRMIGA-OAHLLOKOSA-N 0 0 433.530 2.628 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(I)cc2)cc1 ZINC000001121650 555638162 /nfs/dbraw/zinc/63/81/62/555638162.db2.gz SEIMHCCIWFTIKQ-UHFFFAOYSA-N 0 0 433.296 2.748 50 0 IFAARN CCOC(=O)COc1cc(Cl)c([C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC ZINC000001126679 555641339 /nfs/dbraw/zinc/64/13/39/555641339.db2.gz FPOISSUSGYTAGQ-QGZVFWFLSA-N 0 0 442.921 2.646 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 ZINC000001127160 555641641 /nfs/dbraw/zinc/64/16/41/555641641.db2.gz VCPNHYFJMFXHFW-UHFFFAOYSA-N 0 0 440.319 2.812 50 0 IFAARN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000001131656 555644783 /nfs/dbraw/zinc/64/47/83/555644783.db2.gz HJPRKIYSBFPLJI-SXGWCWSVSA-N 0 0 426.450 2.572 50 0 IFAARN COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1Br ZINC000001137681 555647741 /nfs/dbraw/zinc/64/77/41/555647741.db2.gz PECGIJSQJACUEA-UHFFFAOYSA-N 0 0 448.298 2.810 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 ZINC000001144837 555652658 /nfs/dbraw/zinc/65/26/58/555652658.db2.gz KWVDNWBHBLAMOB-UHFFFAOYSA-N 0 0 440.319 2.812 50 0 IFAARN COc1ccc(-n2c(=O)c(C(=O)N[C@H]3CCSC3=O)cc3c2CC(C)(C)CC3=O)cc1 ZINC000001151525 555656716 /nfs/dbraw/zinc/65/67/16/555656716.db2.gz HLULIJKZZMYKOV-KRWDZBQOSA-N 0 0 440.521 2.763 50 0 IFAARN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)c1 ZINC000001161382 555661958 /nfs/dbraw/zinc/66/19/58/555661958.db2.gz QPWBNASRBFQENL-YVLHZVERSA-N 0 0 425.466 2.534 50 0 IFAARN NC(=O)c1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001162522 555662772 /nfs/dbraw/zinc/66/27/72/555662772.db2.gz BKERTYPLKQHGAJ-UHFFFAOYSA-N 0 0 433.505 2.887 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1ccccc1 ZINC000001206070 555680626 /nfs/dbraw/zinc/68/06/26/555680626.db2.gz INNCSYOWXGJIFZ-JCAJYURWSA-N 0 0 429.501 2.890 50 0 IFAARN C[C@@H]1CC(=O)NCCN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000071889434 555720050 /nfs/dbraw/zinc/72/00/50/555720050.db2.gz RLHNRCQPNXGCNV-MRXNPFEDSA-N 0 0 437.569 2.905 50 0 IFAARN CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001893963 555723008 /nfs/dbraw/zinc/72/30/08/555723008.db2.gz MICRODNJZKNSMX-LEWJYISDSA-N 0 0 436.508 2.988 50 0 IFAARN COc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000002064616 555733110 /nfs/dbraw/zinc/73/31/10/555733110.db2.gz LSAZRJXVDUHCJY-UHFFFAOYSA-N 0 0 436.530 2.822 50 0 IFAARN COC(=O)CSc1nc2ccc(NC(=O)CSc3nnc(N)s3)cc2s1 ZINC000002189396 555756293 /nfs/dbraw/zinc/75/62/93/555756293.db2.gz LDLIZIVJRKKZRS-UHFFFAOYSA-N 0 0 427.558 2.726 50 0 IFAARN COC(=O)CN1C(=S)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000002212920 555758687 /nfs/dbraw/zinc/75/86/87/555758687.db2.gz WPFFQKNXLYNFQR-INIZCTEOSA-N 0 0 431.901 2.844 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(CN3CCN(C(=O)c4ccco4)CC3)n2)cc1Cl ZINC000002235596 555760859 /nfs/dbraw/zinc/76/08/59/555760859.db2.gz OCYBHIUJWNPFOQ-UHFFFAOYSA-N 0 0 427.896 2.710 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)NC(Nc3nc4ccccc4s3)=N2)cc1 ZINC000002259893 555763493 /nfs/dbraw/zinc/76/34/93/555763493.db2.gz RUXOKVRJTBEULL-OAHLLOKOSA-N 0 0 437.481 2.768 50 0 IFAARN O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000002340416 555770231 /nfs/dbraw/zinc/77/02/31/555770231.db2.gz CXEOPBGOOGVGNI-RBZQAINGSA-N 0 0 446.595 2.710 50 0 IFAARN CC[C@@H](CO)NS(=O)(=O)c1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1C ZINC000002381896 555774288 /nfs/dbraw/zinc/77/42/88/555774288.db2.gz CGARWUFWLQVPFG-INIZCTEOSA-N 0 0 425.514 2.611 50 0 IFAARN COCCN(C[C@@H]1CN(Cc2ccc(OC)cc2OC)CCO1)C(=O)c1ccc(F)cc1 ZINC000034670698 555792712 /nfs/dbraw/zinc/79/27/12/555792712.db2.gz BZTJCJXAVMBDBC-QFIPXVFZSA-N 0 0 446.519 2.833 50 0 IFAARN O=C(NCCc1ccccn1)c1csc(CN2CCN(c3ccc(F)cc3)CC2)n1 ZINC000034669092 555792773 /nfs/dbraw/zinc/79/27/73/555792773.db2.gz ALVGZIMIJUCIHQ-UHFFFAOYSA-N 0 0 425.533 2.972 50 0 IFAARN CC1CCN(c2nc(N3CCN(C)CC3)nc3c2CN(C(=O)c2ccccc2)CC3)CC1 ZINC000034676716 555794594 /nfs/dbraw/zinc/79/45/94/555794594.db2.gz YSMNIQAOAIXGRG-UHFFFAOYSA-N 0 0 434.588 2.663 50 0 IFAARN Cc1cccc(C(=O)N2CCc3nc(N4CCC(C)CC4)nc(N4CCN(C)CC4)c3C2)c1 ZINC000034676687 555794719 /nfs/dbraw/zinc/79/47/19/555794719.db2.gz PNJHFGVNFUDZDX-UHFFFAOYSA-N 0 0 448.615 2.972 50 0 IFAARN Cc1cccc(NC(=O)c2coc(CN3CCN(C[C@@H](O)COC(C)(C)C)CC3)n2)c1 ZINC000034677319 555795339 /nfs/dbraw/zinc/79/53/39/555795339.db2.gz GQMLYHAOLLMQTL-LJQANCHMSA-N 0 0 430.549 2.529 50 0 IFAARN O=C(c1ccc(F)cc1)N(CC1CC1)C[C@@H]1CN(C[C@@H](O)COc2ccccc2)CCO1 ZINC000034691657 555804622 /nfs/dbraw/zinc/80/46/22/555804622.db2.gz KQHDWDCTFQEYJI-VWNXMTODSA-N 0 0 442.531 2.819 50 0 IFAARN CCOC(=O)[C@@H](C)n1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccccc1OC ZINC000034693562 555808056 /nfs/dbraw/zinc/80/80/56/555808056.db2.gz BUCFHRUBBCBGFI-MRXNPFEDSA-N 0 0 448.479 2.530 50 0 IFAARN CCOC(=O)Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccc(Cl)cc1 ZINC000034693718 555808302 /nfs/dbraw/zinc/80/83/02/555808302.db2.gz SCZDSHCERQKFFN-UHFFFAOYSA-N 0 0 438.871 2.614 50 0 IFAARN COC(=O)c1cccc(Cn2cnc3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(C)cc2)c1 ZINC000034694375 555809438 /nfs/dbraw/zinc/80/94/38/555809438.db2.gz BUZKNZSKDWKYNH-UHFFFAOYSA-N 0 0 430.464 2.827 50 0 IFAARN COc1ccc(CNC(=O)C(F)(F)C(F)(F)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000002748093 555809729 /nfs/dbraw/zinc/80/97/29/555809729.db2.gz DSCHRXIEKZSBOS-UHFFFAOYSA-N 0 0 428.382 2.907 50 0 IFAARN COCc1nnc2c3ccccc3nc(N3CCN(C(=O)NCc4ccccc4)[C@@H](C)C3)n12 ZINC000034707719 555822150 /nfs/dbraw/zinc/82/21/50/555822150.db2.gz WVMXYKRZPPYVGH-KRWDZBQOSA-N 0 0 445.527 2.844 50 0 IFAARN COCCNC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000034708935 555823511 /nfs/dbraw/zinc/82/35/11/555823511.db2.gz ZRRGMAXWFPTGAY-PMACEKPBSA-N 0 0 426.513 2.712 50 0 IFAARN COCCNC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000034708937 555823520 /nfs/dbraw/zinc/82/35/20/555823520.db2.gz ZRRGMAXWFPTGAY-UXHICEINSA-N 0 0 426.513 2.712 50 0 IFAARN COc1cc(C(=S)N2CCOCC2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000002810649 555827245 /nfs/dbraw/zinc/82/72/45/555827245.db2.gz AIKRIRUGVNXZOH-UHFFFAOYSA-N 0 0 437.539 2.788 50 0 IFAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000002838315 555834361 /nfs/dbraw/zinc/83/43/61/555834361.db2.gz LIMSHTZLDPXYTG-OAHLLOKOSA-N 0 0 433.530 2.628 50 0 IFAARN C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)c2C(N)=O)C1 ZINC000002843139 555836422 /nfs/dbraw/zinc/83/64/22/555836422.db2.gz GWKDXTYYOXCTSB-JTQLQIEISA-N 0 0 431.539 2.870 50 0 IFAARN COc1ccc(COn2c3ccccc3[n+]([O-])c(-c3ccc(OC)cc3OC)c2=O)cc1 ZINC000002844381 555836908 /nfs/dbraw/zinc/83/69/08/555836908.db2.gz JBWCVDBBEDPWTJ-UHFFFAOYSA-N 0 0 434.448 2.957 50 0 IFAARN COC(=O)c1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002851890 555839865 /nfs/dbraw/zinc/83/98/65/555839865.db2.gz FSJFIKPXNSOQAC-UHFFFAOYSA-N 0 0 437.905 2.665 50 0 IFAARN COc1ccccc1NC(=O)CSc1nnc(CCNC(=O)c2ccc(C)cc2)n1C ZINC000002859356 555843521 /nfs/dbraw/zinc/84/35/21/555843521.db2.gz WLROTPMYPRGEGV-UHFFFAOYSA-N 0 0 439.541 2.835 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000002863481 555845994 /nfs/dbraw/zinc/84/59/94/555845994.db2.gz LMTMJGGMEPSGSO-SFHVURJKSA-N 0 0 441.431 2.531 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000002863480 555846050 /nfs/dbraw/zinc/84/60/50/555846050.db2.gz LMTMJGGMEPSGSO-GOSISDBHSA-N 0 0 441.431 2.531 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1 ZINC000002871661 555850025 /nfs/dbraw/zinc/85/00/25/555850025.db2.gz SGJXTHKHYAYUAV-LBPRGKRZSA-N 0 0 446.558 2.810 50 0 IFAARN CC(C)CC(=O)N1CCC(NC(=O)c2nccnc2NC(=O)c2ccc(F)c(F)c2)CC1 ZINC000034716928 555866427 /nfs/dbraw/zinc/86/64/27/555866427.db2.gz XECWRQBFDWQFDX-UHFFFAOYSA-N 0 0 445.470 2.774 50 0 IFAARN COCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000002966494 555868548 /nfs/dbraw/zinc/86/85/48/555868548.db2.gz AMZFYVJVFSQZKO-UHFFFAOYSA-N 0 0 426.922 2.615 50 0 IFAARN COCCNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002975815 555870044 /nfs/dbraw/zinc/87/00/44/555870044.db2.gz KPKHDHHKSXFJDG-UHFFFAOYSA-N 0 0 431.341 2.947 50 0 IFAARN O=C(COc1ccc(Cl)cc1Cl)OCCNC1=NS(=O)(=O)c2ccccc21 ZINC000002995637 555876025 /nfs/dbraw/zinc/87/60/25/555876025.db2.gz BPYLNEDFACXPLO-UHFFFAOYSA-N 0 0 429.281 2.654 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000010547427 555881750 /nfs/dbraw/zinc/88/17/50/555881750.db2.gz OXEOCPOYEDSKKL-GOSISDBHSA-N 0 0 437.949 2.782 50 0 IFAARN COc1cccc(NC(=O)N2CCc3nc(N4CCCC4)nc(N4CCOCC4)c3C2)c1 ZINC000034756648 555901703 /nfs/dbraw/zinc/90/17/03/555901703.db2.gz DRLIBFCOOQCIPK-UHFFFAOYSA-N 0 0 438.532 2.512 50 0 IFAARN Cc1ccc(NC(=O)N2CCc3nc(N4CCCC4)nc(N4CCN(C)CC4)c3C2)cc1 ZINC000034756627 555901727 /nfs/dbraw/zinc/90/17/27/555901727.db2.gz SFYMNMPXXSKPFL-UHFFFAOYSA-N 0 0 435.576 2.727 50 0 IFAARN O=C(Cc1ccccc1F)N1CCc2[nH]nc(C(=O)N3CCN(c4ccccc4)CC3)c2C1 ZINC000034809634 555908146 /nfs/dbraw/zinc/90/81/46/555908146.db2.gz JYJAVLWUADNHSM-UHFFFAOYSA-N 0 0 447.514 2.639 50 0 IFAARN CCN1CCN(C(=O)c2cc3n(n2)CCN(Cc2c(Cl)cccc2Cl)C3=O)CC1 ZINC000034811674 555909419 /nfs/dbraw/zinc/90/94/19/555909419.db2.gz CQTIUPJQWJDTSJ-UHFFFAOYSA-N 0 0 436.343 2.624 50 0 IFAARN O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)C2CC2)CC1 ZINC000034788257 555916003 /nfs/dbraw/zinc/91/60/03/555916003.db2.gz URFLYLYOFXTLNF-JOCHJYFZSA-N 0 0 427.545 2.916 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@]2(c2ccccc2)NN1 ZINC000034911074 555923327 /nfs/dbraw/zinc/92/33/27/555923327.db2.gz DBQSJBLAPSLFFT-FOIQADDNSA-N 0 0 431.370 2.613 50 0 IFAARN COCC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(OC)cc1 ZINC000034855623 555924301 /nfs/dbraw/zinc/92/43/01/555924301.db2.gz MZRXUTUVUULZTI-GYCJOSAFSA-N 0 0 428.529 2.963 50 0 IFAARN COCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003630552 555941715 /nfs/dbraw/zinc/94/17/15/555941715.db2.gz AEJXNKVZRLLROL-YADHBBJMSA-N 0 0 442.512 2.776 50 0 IFAARN COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(Br)cc4)C(O)=C23)cc1 ZINC000003848816 555948721 /nfs/dbraw/zinc/94/87/21/555948721.db2.gz LPWCGQSHIPNJPH-WMLDXEAASA-N 0 0 429.226 2.585 50 0 IFAARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1F)C1C=CC2[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000004018781 555953115 /nfs/dbraw/zinc/95/31/15/555953115.db2.gz ZAOKSCPLTUYESP-WSJAGSMOSA-N 0 0 434.398 2.692 50 0 IFAARN O=C(Nc1ccccc1)c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000004058327 555956040 /nfs/dbraw/zinc/95/60/40/555956040.db2.gz HGTFQSKSNLDZPB-IBGZPJMESA-N 0 0 445.541 2.551 50 0 IFAARN COc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCC(C)C)CC3=O)cc2)c1 ZINC000004196737 555975603 /nfs/dbraw/zinc/97/56/03/555975603.db2.gz LMBNBFSQOZZNQY-KRWDZBQOSA-N 0 0 439.512 2.838 50 0 IFAARN COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000004438467 555994910 /nfs/dbraw/zinc/99/49/10/555994910.db2.gz OMORGHJUJKKBER-ZDUSSCGKSA-N 0 0 432.527 2.739 50 0 IFAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccnc4)c(=O)n32)cc1 ZINC000004618285 556004352 /nfs/dbraw/zinc/00/43/52/556004352.db2.gz QTVJYKHBVBHLOA-JAORQVBISA-N 0 0 449.532 2.590 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000006353942 556085669 /nfs/dbraw/zinc/08/56/69/556085669.db2.gz ZCCLMHZHMGAASK-LYPXWFNGSA-N 0 0 439.924 2.847 50 0 IFAARN COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1 ZINC000006577754 556095646 /nfs/dbraw/zinc/09/56/46/556095646.db2.gz YJHKIGQEPRQZJF-FQEVSTJZSA-N 0 0 436.468 2.633 50 0 IFAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1 ZINC000002720211 556126496 /nfs/dbraw/zinc/12/64/96/556126496.db2.gz VBNWMPCWATVSQY-UHFFFAOYSA-N 0 0 430.486 2.679 50 0 IFAARN CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1ccccc1OC ZINC000002724037 556130755 /nfs/dbraw/zinc/13/07/55/556130755.db2.gz YCBNVQYBHWCPRU-UHFFFAOYSA-N 0 0 432.527 2.923 50 0 IFAARN O=C(c1cccc(COCC(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000002728366 556133884 /nfs/dbraw/zinc/13/38/84/556133884.db2.gz FBOHHJWRIBEHES-UHFFFAOYSA-N 0 0 442.459 2.912 50 0 IFAARN CCn1cc(CN(C)C(=O)c2cnn3c2nc(-c2cn(C)nc2C)cc3C(F)(F)F)cn1 ZINC000002782231 556137998 /nfs/dbraw/zinc/13/79/98/556137998.db2.gz ABMPQMBWIOMVJG-UHFFFAOYSA-N 0 0 446.437 2.946 50 0 IFAARN CCn1nccc1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl ZINC000002794207 556144950 /nfs/dbraw/zinc/14/49/50/556144950.db2.gz ANXKPAQFWJWDMB-UHFFFAOYSA-N 0 0 431.345 2.924 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000008246714 556154503 /nfs/dbraw/zinc/15/45/03/556154503.db2.gz KHKJCICCCROCIE-KRWDZBQOSA-N 0 0 425.485 2.679 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008399139 556165157 /nfs/dbraw/zinc/16/51/57/556165157.db2.gz AOLOQUAMUKJSGU-GANRHZMWSA-N 0 0 428.510 2.999 50 0 IFAARN CCOc1cc([C@H]2[C@@H](C(=O)OC(C)C)[C@](C)(O)CC(=O)[C@H]2C(=O)OC(C)C)ccc1O ZINC000008438635 556174549 /nfs/dbraw/zinc/17/45/49/556174549.db2.gz XECKZJRXQSHIAF-ISHFTEKXSA-N 0 0 436.501 2.734 50 0 IFAARN COc1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1OC ZINC000008441422 556176730 /nfs/dbraw/zinc/17/67/30/556176730.db2.gz OKIJXRJWFMQZJO-URFJDIBFSA-N 0 0 436.501 2.647 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000008453236 556184088 /nfs/dbraw/zinc/18/40/88/556184088.db2.gz ALYDLEWQXZEAOS-OXRZLYTFSA-N 0 0 426.444 2.686 50 0 IFAARN CSc1ccccc1NC(=O)C1=CC(c2ccc3c(c2)OCO3)=NS(=O)(=O)N1C ZINC000008587823 556188247 /nfs/dbraw/zinc/18/82/47/556188247.db2.gz FXEQKLASQRPKCQ-UHFFFAOYSA-N 0 0 431.495 2.639 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(OC)cc4)ccn3n2)cc1 ZINC000008608760 556191996 /nfs/dbraw/zinc/19/19/96/556191996.db2.gz BSAAXYNHGZEODF-UHFFFAOYSA-N 0 0 432.480 2.887 50 0 IFAARN Nc1[nH]c(=S)[nH]c(=O)c1C(c1ccc(Cl)cc1Cl)c1c(N)[nH]c(=S)[nH]c1=O ZINC000008636848 556194769 /nfs/dbraw/zinc/19/47/69/556194769.db2.gz MCSLPMRRCQXIOV-UHFFFAOYSA-N 0 0 443.341 2.830 50 0 IFAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc(OC)c1OC ZINC000008660943 556197244 /nfs/dbraw/zinc/19/72/44/556197244.db2.gz YZXBOVZDFWTYTE-HXUWFJFHSA-N 0 0 442.468 2.963 50 0 IFAARN COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2c(OC)cccc2OC)[C@@H](C)C1 ZINC000008741802 556207425 /nfs/dbraw/zinc/20/74/25/556207425.db2.gz UJYYKKAGNDDXCJ-HNNXBMFYSA-N 0 0 428.485 2.708 50 0 IFAARN CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@@H]1CCCc2ccccc21 ZINC000008746077 556209653 /nfs/dbraw/zinc/20/96/53/556209653.db2.gz BYPPENLLCHBPQV-BWKNWUBXSA-N 0 0 434.540 2.970 50 0 IFAARN CC1(C)CCc2c(cc(OCC(=O)NCCc3c[nH]cn3)c3c4c(c(=O)oc23)CCC4)O1 ZINC000008791939 556215987 /nfs/dbraw/zinc/21/59/87/556215987.db2.gz SWGMQXJHJUHMOJ-UHFFFAOYSA-N 0 0 437.496 2.846 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008816424 556217764 /nfs/dbraw/zinc/21/77/64/556217764.db2.gz MOJUMCOOHLENIM-OAHLLOKOSA-N 0 0 433.505 2.848 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(CCOc1ccccc1C)C2=O ZINC000008843683 556226482 /nfs/dbraw/zinc/22/64/82/556226482.db2.gz NIJWJHLDYJEOAV-JOCHJYFZSA-N 0 0 438.509 2.576 50 0 IFAARN COc1ccc(CN(C(=O)c2nc(SC)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008868226 556228656 /nfs/dbraw/zinc/22/86/56/556228656.db2.gz QQLHANVMRKCBQQ-CYBMUJFWSA-N 0 0 441.962 2.690 50 0 IFAARN CC(C)Oc1ccc(/C=C(/NC(=O)c2ccc(Br)o2)C(=O)NCCO)cc1 ZINC000008935120 556235373 /nfs/dbraw/zinc/23/53/73/556235373.db2.gz FYQYKCMLCPINFD-RVDMUPIBSA-N 0 0 437.290 2.709 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000009031537 556241668 /nfs/dbraw/zinc/24/16/68/556241668.db2.gz JQIUBGNAAVPSKV-UVLALUNPSA-N 0 0 448.585 2.942 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)cc1 ZINC000009095633 556246802 /nfs/dbraw/zinc/24/68/02/556246802.db2.gz KMAURBKBNOCNGY-QGZVFWFLSA-N 0 0 447.557 2.760 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000009185762 556250609 /nfs/dbraw/zinc/25/06/09/556250609.db2.gz ZBLZOTRWAZSFLA-GTENMVSRSA-N 0 0 439.924 2.847 50 0 IFAARN Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O ZINC000009190882 556252880 /nfs/dbraw/zinc/25/28/80/556252880.db2.gz RHUHEXGPKCHPRC-QGZVFWFLSA-N 0 0 427.526 2.771 50 0 IFAARN CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC000009191143 556253748 /nfs/dbraw/zinc/25/37/48/556253748.db2.gz AQJCTRTWXJMJNG-KRWDZBQOSA-N 0 0 429.542 2.983 50 0 IFAARN CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC000009191141 556253765 /nfs/dbraw/zinc/25/37/65/556253765.db2.gz AQJCTRTWXJMJNG-QGZVFWFLSA-N 0 0 429.542 2.983 50 0 IFAARN CC(C)(C)NC(=O)CSc1nnc(NC(=O)Cn2c3ccccc3sc2=O)s1 ZINC000009226846 556260448 /nfs/dbraw/zinc/26/04/48/556260448.db2.gz ZZOHZFHNFULNKV-UHFFFAOYSA-N 0 0 437.572 2.560 50 0 IFAARN Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)N1CCc2ccccc21 ZINC000009263478 556270177 /nfs/dbraw/zinc/27/01/77/556270177.db2.gz IUXFYNFCIIDVOX-UHFFFAOYSA-N 0 0 425.489 2.817 50 0 IFAARN O=C(Cn1c2sc3c(c2c2nc(-c4cccnc4)nn2c1=O)CCC3)N1CCCCC1 ZINC000013689459 556278657 /nfs/dbraw/zinc/27/86/57/556278657.db2.gz PTDIMKFUMMFPDO-UHFFFAOYSA-N 0 0 434.525 2.669 50 0 IFAARN COc1ccc(CCNC(=O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)cc1OC ZINC000009321146 556280778 /nfs/dbraw/zinc/28/07/78/556280778.db2.gz CWJPPWIKKKQHOS-UHFFFAOYSA-N 0 0 446.507 2.848 50 0 IFAARN CN(C)CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000013691690 556281110 /nfs/dbraw/zinc/28/11/10/556281110.db2.gz NMYPKDZFDBXMKX-UHFFFAOYSA-N 0 0 429.498 2.919 50 0 IFAARN Cn1c(CNC(=O)[C@H]2COc3ccccc3O2)nc2cc(NC(=O)c3cccnc3)ccc21 ZINC000013692137 556281641 /nfs/dbraw/zinc/28/16/41/556281641.db2.gz KUHIYAOLZJYXNJ-OAQYLSRUSA-N 0 0 443.463 2.677 50 0 IFAARN COCCN1C(=O)S/C(=C/c2cc(I)c(O)c(OC)c2)C1=O ZINC000009323713 556281818 /nfs/dbraw/zinc/28/18/18/556281818.db2.gz ODUIAKSSVACCNG-YRNVUSSQSA-N 0 0 435.239 2.688 50 0 IFAARN COc1ccc2c(cc(C(=O)N[C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)n2C)c1 ZINC000013692808 556282571 /nfs/dbraw/zinc/28/25/71/556282571.db2.gz YONZNZMITONVBV-SFHVURJKSA-N 0 0 434.540 2.650 50 0 IFAARN COc1cc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)ccc1NC(=O)c1ccco1 ZINC000009409910 556288204 /nfs/dbraw/zinc/28/82/04/556288204.db2.gz GRUYWRVOYGJSQY-UHFFFAOYSA-N 0 0 443.437 2.786 50 0 IFAARN COc1cc(C(=S)N2CCN(c3nsc4ccccc43)CC2)ccc1OCC(N)=O ZINC000013722754 556291291 /nfs/dbraw/zinc/29/12/91/556291291.db2.gz JKBQIPOURCXQBC-UHFFFAOYSA-N 0 0 442.566 2.667 50 0 IFAARN O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000013724356 556292173 /nfs/dbraw/zinc/29/21/73/556292173.db2.gz XQITWKQJINHQGJ-MRXNPFEDSA-N 0 0 447.896 2.796 50 0 IFAARN Cn1c(CCNC(=O)[C@@H]2COc3ccccc3O2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000013726112 556292784 /nfs/dbraw/zinc/29/27/84/556292784.db2.gz QPCLFTOMHUKTFQ-NRFANRHFSA-N 0 0 446.463 2.917 50 0 IFAARN CCOc1ccc2nc(COC(=O)c3cc(OC)cc(OC)c3)c(C(C)=O)[n+]([O-])c2c1 ZINC000009497480 556295214 /nfs/dbraw/zinc/29/52/14/556295214.db2.gz LVXCMFZAHZISJF-UHFFFAOYSA-N 0 0 426.425 2.844 50 0 IFAARN NC(=O)C1CCN(C(=O)C2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013731829 556296116 /nfs/dbraw/zinc/29/61/16/556296116.db2.gz UWSXUHDCVLIIGT-UHFFFAOYSA-N 0 0 433.552 2.781 50 0 IFAARN CSCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000009559866 556298533 /nfs/dbraw/zinc/29/85/33/556298533.db2.gz XAZGKQBBFVFNPY-LLVKDONJSA-N 0 0 428.304 2.962 50 0 IFAARN Cc1ccc(N2C(=O)C[C@@H](N(O)[C@@H]3CC(=O)N(c4ccc(C)cc4C)C3=O)C2=O)c(C)c1 ZINC000013757865 556301222 /nfs/dbraw/zinc/30/12/22/556301222.db2.gz OKOPGRVLYHLRNB-WOJBJXKFSA-N 0 0 435.480 2.575 50 0 IFAARN CCCCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000032731854 556305296 /nfs/dbraw/zinc/30/52/96/556305296.db2.gz OLBVXHKFWNUPGA-FQEVSTJZSA-N 0 0 445.585 2.847 50 0 IFAARN O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000032736788 556306776 /nfs/dbraw/zinc/30/67/76/556306776.db2.gz CFZOTTUGVRXDKZ-HXUWFJFHSA-N 0 0 428.510 2.779 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccccc1OC ZINC000013799100 556309805 /nfs/dbraw/zinc/30/98/05/556309805.db2.gz NFRXXSPDCITWPY-WPNIOXTASA-N 0 0 440.546 2.868 50 0 IFAARN COc1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2C[C@@H]2CCCO2)c1 ZINC000009830419 556311041 /nfs/dbraw/zinc/31/10/41/556311041.db2.gz GEZVCIMYUDCBHG-INIZCTEOSA-N 0 0 426.498 2.710 50 0 IFAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21)NC1CCCCCC1 ZINC000009830599 556311339 /nfs/dbraw/zinc/31/13/39/556311339.db2.gz DDRIFJJUEDUXRI-UHFFFAOYSA-N 0 0 435.546 2.608 50 0 IFAARN CCCCN(C)C(=O)Cn1c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2oc1=O ZINC000009830814 556311605 /nfs/dbraw/zinc/31/16/05/556311605.db2.gz ZWNGORJMMMLXBW-HZPDHXFCSA-N 0 0 437.562 2.520 50 0 IFAARN CC(=O)N1CCc2cc(NC(=O)[C@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)ccc21 ZINC000032753088 556314854 /nfs/dbraw/zinc/31/48/54/556314854.db2.gz ILFSMOWDPDHBDD-QUCCMNQESA-N 0 0 427.501 2.516 50 0 IFAARN CNC(=O)c1cccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1 ZINC000032745186 556314861 /nfs/dbraw/zinc/31/48/61/556314861.db2.gz FXKYWLMHXTZFKR-UHFFFAOYSA-N 0 0 434.481 2.612 50 0 IFAARN CCN1CCN(C(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000013845238 556318764 /nfs/dbraw/zinc/31/87/64/556318764.db2.gz XWWNHEYAFXDQLA-UHFFFAOYSA-N 0 0 439.940 2.839 50 0 IFAARN CCc1nn2c(nc(CN(CC)Cc3nc4cc(Cl)ccc4c(=O)[nH]3)cc2=O)s1 ZINC000032759241 556318784 /nfs/dbraw/zinc/31/87/84/556318784.db2.gz RSLGLIPPIXWMEL-UHFFFAOYSA-N 0 0 430.921 2.625 50 0 IFAARN CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000013847251 556319160 /nfs/dbraw/zinc/31/91/60/556319160.db2.gz LDKAQMBBWPDIMT-VMPITWQZSA-N 0 0 449.523 2.588 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2cccnc21 ZINC000009969955 556319207 /nfs/dbraw/zinc/31/92/07/556319207.db2.gz LZPWEUCFKOSQDY-UHFFFAOYSA-N 0 0 430.892 2.905 50 0 IFAARN COc1ccc(NC(=O)CN(C)CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000032753387 556322505 /nfs/dbraw/zinc/32/25/05/556322505.db2.gz HSDMDGJSCQOTGV-DEOSSOPVSA-N 0 0 441.528 2.850 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000032755321 556324639 /nfs/dbraw/zinc/32/46/39/556324639.db2.gz KSMXVMKUYWIJNX-QFIPXVFZSA-N 0 0 426.538 2.842 50 0 IFAARN Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1NS(C)(=O)=O ZINC000032759063 556325031 /nfs/dbraw/zinc/32/50/31/556325031.db2.gz OZEUKCSIJWYSAR-UHFFFAOYSA-N 0 0 442.463 2.743 50 0 IFAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2cc(OC)ccc2OC)n2nnnc2N3)cc1 ZINC000010295519 556329767 /nfs/dbraw/zinc/32/97/67/556329767.db2.gz RMTIIZYONCBSLU-LJQANCHMSA-N 0 0 433.428 2.556 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 ZINC000032777456 556329775 /nfs/dbraw/zinc/32/97/75/556329775.db2.gz BHENMNRWDLTSLB-CQSZACIVSA-N 0 0 432.322 2.519 50 0 IFAARN CCOC(=O)N1CCC[C@H](C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)C1 ZINC000032764502 556331661 /nfs/dbraw/zinc/33/16/61/556331661.db2.gz DICDPXLBYZWQOS-HNNXBMFYSA-N 0 0 449.573 2.906 50 0 IFAARN CN(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013930298 556334529 /nfs/dbraw/zinc/33/45/29/556334529.db2.gz SGIWWTBTKFSKCU-OAHLLOKOSA-N 0 0 448.595 2.733 50 0 IFAARN CN1C(=O)C(=O)N(CN2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)C1=O ZINC000032770223 556334593 /nfs/dbraw/zinc/33/45/93/556334593.db2.gz OUEKLXLZPAHOCF-UHFFFAOYSA-N 0 0 432.933 2.564 50 0 IFAARN C[C@]1(C2CC2)NC(=O)N(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)C1=O ZINC000032771177 556334873 /nfs/dbraw/zinc/33/48/73/556334873.db2.gz XQXRZRQTCFHBCF-JOCHJYFZSA-N 0 0 425.558 2.606 50 0 IFAARN O=S(=O)(NC1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc2c(c1)CCCC2 ZINC000032771378 556335240 /nfs/dbraw/zinc/33/52/40/556335240.db2.gz RTSZATQSVCIZOD-UHFFFAOYSA-N 0 0 440.612 2.759 50 0 IFAARN CCS(=O)(=O)N1CCC(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 ZINC000032771462 556335282 /nfs/dbraw/zinc/33/52/82/556335282.db2.gz PLPAQWCNNMXQBN-UHFFFAOYSA-N 0 0 429.391 2.703 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000013941656 556338514 /nfs/dbraw/zinc/33/85/14/556338514.db2.gz VQNKYAMNUJVBJR-UHFFFAOYSA-N 0 0 425.400 2.722 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nncs2)n1C ZINC000013945030 556342663 /nfs/dbraw/zinc/34/26/63/556342663.db2.gz XFLHYKKCPMAGCJ-CQSZACIVSA-N 0 0 431.547 2.525 50 0 IFAARN COC(=O)Cc1sc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)nc1C ZINC000013945725 556342707 /nfs/dbraw/zinc/34/27/07/556342707.db2.gz SRARNFUZANZASJ-UHFFFAOYSA-N 0 0 442.526 2.728 50 0 IFAARN C[C@H](Sc1nnc(CN2CCOCC2)n1-c1ccccc1)C(=O)Nc1nccs1 ZINC000013945812 556343012 /nfs/dbraw/zinc/34/30/12/556343012.db2.gz SUMBHVSOGHNTAN-AWEZNQCLSA-N 0 0 430.559 2.675 50 0 IFAARN Cc1c(C(=O)NCCO)nnn1-c1ccc2noc(-c3ccc(Br)cc3)c2c1 ZINC000011692862 556346985 /nfs/dbraw/zinc/34/69/85/556346985.db2.gz PFYBXTAVNUJTRJ-UHFFFAOYSA-N 0 0 442.273 2.869 50 0 IFAARN COc1ccc(C(=O)N(C)C[C@H](O)c2ccccc2)cc1OC1CCN(C(C)=O)CC1 ZINC000011754175 556348809 /nfs/dbraw/zinc/34/88/09/556348809.db2.gz BDMPTTGXGYAQDR-NRFANRHFSA-N 0 0 426.513 2.891 50 0 IFAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000013961323 556348892 /nfs/dbraw/zinc/34/88/92/556348892.db2.gz JZJQDBWQVIUTJQ-UHFFFAOYSA-N 0 0 433.578 2.525 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000013987021 556352144 /nfs/dbraw/zinc/35/21/44/556352144.db2.gz AKOKDKIDBBQIGB-UHFFFAOYSA-N 0 0 434.290 2.649 50 0 IFAARN COc1ccc([C@@]2(CC(=O)N(C)Cc3nc4ccccc4[nH]3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000011785071 556352824 /nfs/dbraw/zinc/35/28/24/556352824.db2.gz LAZCMPYHWMCZPS-RUZDIDTESA-N 0 0 446.507 2.779 50 0 IFAARN O=C(Cn1cc(NC(=O)c2ccccc2F)cn1)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000011785879 556353201 /nfs/dbraw/zinc/35/32/01/556353201.db2.gz VPOOHZPCKMMSQU-LJQANCHMSA-N 0 0 437.475 2.877 50 0 IFAARN COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCc4cccnc4)c3C)n2)c1 ZINC000011785886 556353207 /nfs/dbraw/zinc/35/32/07/556353207.db2.gz LUIUEWDBVZNQJG-UHFFFAOYSA-N 0 0 430.468 2.980 50 0 IFAARN Cc1ccc(C)c(N(CCCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)c1 ZINC000014000178 556353446 /nfs/dbraw/zinc/35/34/46/556353446.db2.gz JZEMPRHAHUPLGL-UHFFFAOYSA-N 0 0 444.557 2.679 50 0 IFAARN COC(=O)CNC(=O)c1cc(NC(=O)CC2CCCC2)cc2nc([C@@H]3CCCO3)n(C)c21 ZINC000011789456 556354878 /nfs/dbraw/zinc/35/48/78/556354878.db2.gz ICPBRHDQLPAXRG-SFHVURJKSA-N 0 0 442.516 2.846 50 0 IFAARN O=C(CN1CCN(C(=O)c2cncc(Br)c2)CC1)Nc1ccccc1Cl ZINC000014075696 556361708 /nfs/dbraw/zinc/36/17/08/556361708.db2.gz BIFJLYJBCDBPTI-UHFFFAOYSA-N 0 0 437.725 2.894 50 0 IFAARN CN(CC(=O)Nc1ccc(-n2cnc3ccccc32)nc1)S(=O)(=O)c1ccc(F)cc1 ZINC000032796665 556362438 /nfs/dbraw/zinc/36/24/38/556362438.db2.gz AQRCDTGEAFVWAP-UHFFFAOYSA-N 0 0 439.472 2.819 50 0 IFAARN O=C(CN1CCN(CC(=O)Nc2ccccc2N2CCCC2)CC1)Nc1ccc(F)cc1 ZINC000032797301 556364004 /nfs/dbraw/zinc/36/40/04/556364004.db2.gz YGXDLQITKHXIKK-UHFFFAOYSA-N 0 0 439.535 2.621 50 0 IFAARN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000032797291 556364030 /nfs/dbraw/zinc/36/40/30/556364030.db2.gz JCCHWKQYPNDVJS-CQSZACIVSA-N 0 0 446.901 2.926 50 0 IFAARN Cc1nc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cs1 ZINC000011841495 556365028 /nfs/dbraw/zinc/36/50/28/556365028.db2.gz YDBBZBCDISHXLB-GOSISDBHSA-N 0 0 427.574 2.828 50 0 IFAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O ZINC000014092661 556365461 /nfs/dbraw/zinc/36/54/61/556365461.db2.gz AXAIXLMOYYZPOT-QFIPXVFZSA-N 0 0 440.887 2.873 50 0 IFAARN CCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC[C@H](C)C3)c2C)cc1 ZINC000014092921 556365739 /nfs/dbraw/zinc/36/57/39/556365739.db2.gz CKCBOMDTJUKYBP-AWEZNQCLSA-N 0 0 441.575 2.556 50 0 IFAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000014094963 556366851 /nfs/dbraw/zinc/36/68/51/556366851.db2.gz SARBOYCIFWPYGZ-SFHVURJKSA-N 0 0 446.598 2.798 50 0 IFAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000014094962 556366966 /nfs/dbraw/zinc/36/69/66/556366966.db2.gz SARBOYCIFWPYGZ-GOSISDBHSA-N 0 0 446.598 2.798 50 0 IFAARN Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC000011870795 556369012 /nfs/dbraw/zinc/36/90/12/556369012.db2.gz WVCSYTUACGTPIO-LADGPHEKSA-N 0 0 432.528 2.967 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccccc3N3CCCC3=O)CC2)c1C ZINC000014118193 556371604 /nfs/dbraw/zinc/37/16/04/556371604.db2.gz FCLGURIIWJWJHF-UHFFFAOYSA-N 0 0 434.540 2.827 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000014120783 556371852 /nfs/dbraw/zinc/37/18/52/556371852.db2.gz UTMPCFGAQUMELD-UHFFFAOYSA-N 0 0 428.432 2.656 50 0 IFAARN O=C(NCc1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1)c1n[nH]c2c1CCC2 ZINC000011912125 556375310 /nfs/dbraw/zinc/37/53/10/556375310.db2.gz LQLCPRNGLJCKBL-INIZCTEOSA-N 0 0 438.557 2.739 50 0 IFAARN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)N2CCOCC2)cc1 ZINC000014158490 556377931 /nfs/dbraw/zinc/37/79/31/556377931.db2.gz MONZIPCXPYLJQP-LJQANCHMSA-N 0 0 427.526 2.543 50 0 IFAARN CN(Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1)Cc1nc2ccccc2[nH]1 ZINC000011935320 556378331 /nfs/dbraw/zinc/37/83/31/556378331.db2.gz VDZOCCWLAJTRIL-GOSISDBHSA-N 0 0 443.573 2.754 50 0 IFAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O ZINC000014162023 556378665 /nfs/dbraw/zinc/37/86/65/556378665.db2.gz RBZHCTREQNYTEI-RUZDIDTESA-N 0 0 446.507 2.708 50 0 IFAARN O=C(CC[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1)N1CCN(c2ccccn2)CC1 ZINC000011936799 556379047 /nfs/dbraw/zinc/37/90/47/556379047.db2.gz FXAASXYQOJKFRP-IBGZPJMESA-N 0 0 446.555 2.939 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000014168374 556380518 /nfs/dbraw/zinc/38/05/18/556380518.db2.gz ODIZHOLBQNGAAU-UHFFFAOYSA-N 0 0 426.502 2.684 50 0 IFAARN CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCc2ccc(F)cc2)cc1 ZINC000014170528 556381265 /nfs/dbraw/zinc/38/12/65/556381265.db2.gz WSFWBWXTZURHQU-HXUWFJFHSA-N 0 0 448.560 2.973 50 0 IFAARN COc1cccc(CNc2ncnc3sc(C(=O)N4CCC[C@H]4C(N)=O)c(C)c32)c1 ZINC000011982654 556383523 /nfs/dbraw/zinc/38/35/23/556383523.db2.gz SRPOLJBQNYMXPB-HNNXBMFYSA-N 0 0 425.514 2.710 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2)C[C@@H](C)O1 ZINC000014183734 556383706 /nfs/dbraw/zinc/38/37/06/556383706.db2.gz MKOKGBWIPUKIPW-JXXFODFXSA-N 0 0 430.526 2.738 50 0 IFAARN CSc1nnc(CNC(=O)CN2C[C@@H](c3ccccc3)CC2=O)n1-c1ccc(F)cc1 ZINC000011983393 556383848 /nfs/dbraw/zinc/38/38/48/556383848.db2.gz WYQSWSNYZFQHOC-INIZCTEOSA-N 0 0 439.516 2.761 50 0 IFAARN C[C@H](OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(N)nc(N(C)C)n1 ZINC000014184786 556384747 /nfs/dbraw/zinc/38/47/47/556384747.db2.gz KBAYLCGLAKFBDU-AWEZNQCLSA-N 0 0 430.472 2.686 50 0 IFAARN CC[C@H]1CCCCN1C(=O)C[C@]1(c2ccccc2OC)CC(=O)N(CCCOC)C1=O ZINC000012000668 556385611 /nfs/dbraw/zinc/38/56/11/556385611.db2.gz YEQYZZPRZUNBOR-MHECFPHRSA-N 0 0 430.545 2.910 50 0 IFAARN Cc1c(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000014185906 556385766 /nfs/dbraw/zinc/38/57/66/556385766.db2.gz KNLUYUWKZHSPLR-UHFFFAOYSA-N 0 0 442.541 2.506 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl ZINC000012003467 556386376 /nfs/dbraw/zinc/38/63/76/556386376.db2.gz YCFGTFRHDNDKBU-UHFFFAOYSA-N 0 0 431.901 2.860 50 0 IFAARN Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1cc(F)cc(F)c1)CC2 ZINC000012026774 556387830 /nfs/dbraw/zinc/38/78/30/556387830.db2.gz HNHIPCFAFNJPIW-WHLIDYPQSA-N 0 0 430.455 2.957 50 0 IFAARN O=C(c1cccc(N2CCCC2=O)c1)N1CC[C@H]2[C@H](CCC(=O)N2CCCn2ccnc2)C1 ZINC000012027546 556388240 /nfs/dbraw/zinc/38/82/40/556388240.db2.gz SZADSJGCPIWMRG-IRLDBZIGSA-N 0 0 449.555 2.553 50 0 IFAARN O=C(CCSc1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000014196996 556388726 /nfs/dbraw/zinc/38/87/26/556388726.db2.gz SSOPQVIETAOGBZ-UHFFFAOYSA-N 0 0 426.510 2.980 50 0 IFAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O ZINC000014197346 556388899 /nfs/dbraw/zinc/38/88/99/556388899.db2.gz MJDCBEFWUWPXAO-RUZDIDTESA-N 0 0 447.491 2.541 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Br)ccc3O)CC2)cc1 ZINC000014198104 556389444 /nfs/dbraw/zinc/38/94/44/556389444.db2.gz MPUPGYNRZLDDFE-UHFFFAOYSA-N 0 0 439.331 2.610 50 0 IFAARN Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@@H](C(=O)N2CCCN(C)CC2)C3)c1C ZINC000012035109 556389565 /nfs/dbraw/zinc/38/95/65/556389565.db2.gz SVCMWQNBVZTMQD-INIZCTEOSA-N 0 0 440.569 2.921 50 0 IFAARN O=S(=O)(c1ccc(NCc2cc(Cl)c3c(c2)OCCCO3)nc1)N1CCOCC1 ZINC000014198897 556389988 /nfs/dbraw/zinc/38/99/88/556389988.db2.gz IIYXCZUITBJVPD-UHFFFAOYSA-N 0 0 439.921 2.529 50 0 IFAARN COCCCC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)c(C)c2C)CC1 ZINC000012049966 556392071 /nfs/dbraw/zinc/39/20/71/556392071.db2.gz XXXKJQXEWPXNGP-QFIPXVFZSA-N 0 0 445.604 2.668 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)s1 ZINC000012053176 556393239 /nfs/dbraw/zinc/39/32/39/556393239.db2.gz BYWOKNIJIFYEMX-ZDUSSCGKSA-N 0 0 434.630 2.751 50 0 IFAARN CN(C)C(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2ccccc2O1 ZINC000032810578 556397049 /nfs/dbraw/zinc/39/70/49/556397049.db2.gz HCSATOVLJBZQKC-UTKZUKDTSA-N 0 0 436.512 2.813 50 0 IFAARN CN(C)C(=O)[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2ccccc2O1 ZINC000032810584 556397052 /nfs/dbraw/zinc/39/70/52/556397052.db2.gz HCSATOVLJBZQKC-LAUBAEHRSA-N 0 0 436.512 2.813 50 0 IFAARN O=C(Nc1ccnn1C1CCN(C(=O)c2cncs2)CC1)c1ccc2c(c1)OCO2 ZINC000012076658 556397876 /nfs/dbraw/zinc/39/78/76/556397876.db2.gz DSBVHANFQZXEGY-UHFFFAOYSA-N 0 0 425.470 2.798 50 0 IFAARN CN(Cc1ccc(C(F)(F)F)cc1)c1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Cl ZINC000014232361 556398180 /nfs/dbraw/zinc/39/81/80/556398180.db2.gz QYQAKNJCQFEVMK-CYBMUJFWSA-N 0 0 435.855 2.912 50 0 IFAARN CN(Cc1ccc(C(F)(F)F)cc1)c1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Cl ZINC000014232364 556398248 /nfs/dbraw/zinc/39/82/48/556398248.db2.gz QYQAKNJCQFEVMK-ZDUSSCGKSA-N 0 0 435.855 2.912 50 0 IFAARN COc1ccc2c(CC(=O)N(C)Cc3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)coc2c1 ZINC000014233378 556398480 /nfs/dbraw/zinc/39/84/80/556398480.db2.gz AKFNGORFTCOFIX-KRWDZBQOSA-N 0 0 445.541 2.815 50 0 IFAARN COc1ccc2c(CC(=O)N(C)Cc3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)coc2c1 ZINC000014233373 556398579 /nfs/dbraw/zinc/39/85/79/556398579.db2.gz AKFNGORFTCOFIX-QGZVFWFLSA-N 0 0 445.541 2.815 50 0 IFAARN CCN1C[C@H](CN(C)C[C@@H](O)COc2ccc(C(C)=O)cc2OC)Oc2ccccc21 ZINC000032814659 556400385 /nfs/dbraw/zinc/40/03/85/556400385.db2.gz QSGVEDDHVXAIEO-UXHICEINSA-N 0 0 428.529 2.857 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(F)cc2Cl)cc1 ZINC000014239919 556400879 /nfs/dbraw/zinc/40/08/79/556400879.db2.gz WFCINSYFLZQWOI-UHFFFAOYSA-N 0 0 428.869 2.849 50 0 IFAARN Cc1occc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000014240274 556400904 /nfs/dbraw/zinc/40/09/04/556400904.db2.gz BCPIFCGDNNZEKX-UHFFFAOYSA-N 0 0 427.320 2.806 50 0 IFAARN CC[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)Nc1cc(C)on1 ZINC000014241695 556401977 /nfs/dbraw/zinc/40/19/77/556401977.db2.gz RJUJPYYGGXFRQW-SFHVURJKSA-N 0 0 449.529 2.653 50 0 IFAARN CC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)Nc1cc(C)on1 ZINC000014241694 556401988 /nfs/dbraw/zinc/40/19/88/556401988.db2.gz RJUJPYYGGXFRQW-GOSISDBHSA-N 0 0 449.529 2.653 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000014242842 556403438 /nfs/dbraw/zinc/40/34/38/556403438.db2.gz AHXAFGZPDGRFGY-HKUYNNGSSA-N 0 0 425.554 2.985 50 0 IFAARN C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000014244177 556403857 /nfs/dbraw/zinc/40/38/57/556403857.db2.gz UDMDFYGBPUTXQD-MRXNPFEDSA-N 0 0 439.537 2.776 50 0 IFAARN Cc1ccc(C(N)=O)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000014244498 556404209 /nfs/dbraw/zinc/40/42/09/556404209.db2.gz MZESLWJGWXXSPZ-MRXNPFEDSA-N 0 0 445.541 2.675 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000014245849 556405720 /nfs/dbraw/zinc/40/57/20/556405720.db2.gz VVRZYAAZHPSTHP-QXAKKESOSA-N 0 0 449.617 2.968 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)NC(=O)N[C@@H]1c1ccccc1 ZINC000014247142 556407161 /nfs/dbraw/zinc/40/71/61/556407161.db2.gz ZMGYXCBJYTWOPB-HXUWFJFHSA-N 0 0 439.468 2.862 50 0 IFAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 ZINC000014250727 556408849 /nfs/dbraw/zinc/40/88/49/556408849.db2.gz LSTTXNWFWRXPCL-UHFFFAOYSA-N 0 0 448.479 2.919 50 0 IFAARN C[C@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccc(F)cc1 ZINC000032825618 556410913 /nfs/dbraw/zinc/41/09/13/556410913.db2.gz BDXFUTFZUPJDLX-VIFPVBQESA-N 0 0 429.267 2.959 50 0 IFAARN C[C@@H](CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccccc1 ZINC000032825652 556410942 /nfs/dbraw/zinc/41/09/42/556410942.db2.gz AZOQMHDEVUCQQJ-NSHDSACASA-N 0 0 425.304 2.862 50 0 IFAARN C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccc(F)cc1 ZINC000032825616 556410945 /nfs/dbraw/zinc/41/09/45/556410945.db2.gz BDXFUTFZUPJDLX-SECBINFHSA-N 0 0 429.267 2.959 50 0 IFAARN O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1cccnc1N1CCOCC1 ZINC000032637879 556411978 /nfs/dbraw/zinc/41/19/78/556411978.db2.gz URNSFRVTNFKLEX-UHFFFAOYSA-N 0 0 425.464 2.746 50 0 IFAARN CC(C)(C)NC(=O)NC(=O)COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000004371958 556412021 /nfs/dbraw/zinc/41/20/21/556412021.db2.gz PGULMORFOFALEM-GOSISDBHSA-N 0 0 425.485 2.715 50 0 IFAARN O=C([C@H]1COc2ccccc2O1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000032820374 556412258 /nfs/dbraw/zinc/41/22/58/556412258.db2.gz YCUGOJVYWMWHDN-OAQYLSRUSA-N 0 0 428.510 2.590 50 0 IFAARN CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000004522134 556413882 /nfs/dbraw/zinc/41/38/82/556413882.db2.gz QNFJSZLAVLYOII-FZKQIMNGSA-N 0 0 434.518 2.518 50 0 IFAARN CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000004522131 556413951 /nfs/dbraw/zinc/41/39/51/556413951.db2.gz QNFJSZLAVLYOII-ACJLOTCBSA-N 0 0 434.518 2.518 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCOc1cc(C)ccc1C ZINC000014374369 556415019 /nfs/dbraw/zinc/41/50/19/556415019.db2.gz RLNVBGACVOUGFH-UHFFFAOYSA-N 0 0 448.541 2.741 50 0 IFAARN CCOc1ncccc1C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000012939250 556416528 /nfs/dbraw/zinc/41/65/28/556416528.db2.gz AUFHYTQSKHLIOF-UHFFFAOYSA-N 0 0 436.434 2.896 50 0 IFAARN CN(C)c1ccc(C(=O)OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000032831405 556417304 /nfs/dbraw/zinc/41/73/04/556417304.db2.gz UDEZNBUHZQBLPQ-UHFFFAOYSA-N 0 0 436.434 2.672 50 0 IFAARN C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012971689 556418814 /nfs/dbraw/zinc/41/88/14/556418814.db2.gz ZTKUUACAZNIVTF-AWEZNQCLSA-N 0 0 426.897 2.780 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)CCn3ncc(=O)c4ccccc43)ccc21 ZINC000032837709 556419069 /nfs/dbraw/zinc/41/90/69/556419069.db2.gz QZTTXJIXJGQWKO-OAHLLOKOSA-N 0 0 433.464 2.510 50 0 IFAARN CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1c(F)cccc1Cl ZINC000012975135 556420909 /nfs/dbraw/zinc/42/09/09/556420909.db2.gz QAYSMBOLGBEGSZ-SFHVURJKSA-N 0 0 439.940 2.953 50 0 IFAARN CC(=O)c1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)[nH]n1 ZINC000014531931 556420983 /nfs/dbraw/zinc/42/09/83/556420983.db2.gz VSDVRJZDKVYKMY-HXUWFJFHSA-N 0 0 438.528 2.815 50 0 IFAARN CCc1cc(C(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3cccc(OC)c3)C2)n(C)n1 ZINC000014532113 556420985 /nfs/dbraw/zinc/42/09/85/556420985.db2.gz FTYNPFPJKWCOPC-NRFANRHFSA-N 0 0 442.560 2.517 50 0 IFAARN O=C(N[C@H]1CCSc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000012977134 556422508 /nfs/dbraw/zinc/42/25/08/556422508.db2.gz ZPBPYCIKJSMQNZ-SFHVURJKSA-N 0 0 436.530 2.814 50 0 IFAARN O=C(c1cnccn1)N1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(F)c2)C1 ZINC000014535987 556423427 /nfs/dbraw/zinc/42/34/27/556423427.db2.gz GVTZWECCOOMUDC-JOCHJYFZSA-N 0 0 448.498 2.728 50 0 IFAARN CC(=O)N1CCC[C@H]1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 ZINC000014538243 556424356 /nfs/dbraw/zinc/42/43/56/556424356.db2.gz PFIMKUDILQVTCA-GOTSBHOMSA-N 0 0 441.572 2.586 50 0 IFAARN Cc1ccc(NC(=O)CN2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 ZINC000012981459 556424504 /nfs/dbraw/zinc/42/45/04/556424504.db2.gz YPIVHTNGMKMFLD-UHFFFAOYSA-N 0 0 446.345 2.919 50 0 IFAARN COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccco2)ccc1OC(F)F ZINC000012982025 556424937 /nfs/dbraw/zinc/42/49/37/556424937.db2.gz ZVVLVAPDIQHAKQ-SJORKVTESA-N 0 0 446.410 2.814 50 0 IFAARN O=C(Nc1cccc(Cl)c1Cl)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 ZINC000014539254 556424960 /nfs/dbraw/zinc/42/49/60/556424960.db2.gz FGJJVWRAEGRCGU-XKQJLSEDSA-N 0 0 447.322 2.826 50 0 IFAARN COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1nccs1)CC2 ZINC000014539640 556424972 /nfs/dbraw/zinc/42/49/72/556424972.db2.gz LFQQKXMYVYDIHC-UHFFFAOYSA-N 0 0 428.558 2.631 50 0 IFAARN COc1ccc(CN2C[C@H](OCc3cccnc3)CN(Cc3cnn(C)c3C)CC2=O)cc1 ZINC000014541602 556425871 /nfs/dbraw/zinc/42/58/71/556425871.db2.gz ZJYNNOLMGWKUTQ-XMMPIXPASA-N 0 0 449.555 2.562 50 0 IFAARN Cc1nc(CN2C[C@H](OCc3ccccn3)CN(C(=O)[C@H]3CC=CCC3)CC2=O)cs1 ZINC000014541665 556425930 /nfs/dbraw/zinc/42/59/30/556425930.db2.gz FBJDRBFETQRYLF-RXVVDRJESA-N 0 0 440.569 2.959 50 0 IFAARN O=C(CSc1nnc(Nc2cccc(F)c2)s1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000012986134 556426746 /nfs/dbraw/zinc/42/67/46/556426746.db2.gz UQSQSHWEPDKVKR-CQSZACIVSA-N 0 0 442.563 2.691 50 0 IFAARN CCOC(=O)C1=C(Cn2cnc3cc(Cl)ccc3c2=O)NC(=O)N[C@H]1c1ccco1 ZINC000032841195 556427200 /nfs/dbraw/zinc/42/72/00/556427200.db2.gz LIOBTKMYBKIJFH-KRWDZBQOSA-N 0 0 428.832 2.514 50 0 IFAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000032841633 556427387 /nfs/dbraw/zinc/42/73/87/556427387.db2.gz HTDVYJUULUYFHU-CYBMUJFWSA-N 0 0 438.933 2.911 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c1 ZINC000012992619 556428912 /nfs/dbraw/zinc/42/89/12/556428912.db2.gz BWDMHOQNOPWGSH-UHFFFAOYSA-N 0 0 443.525 2.865 50 0 IFAARN Cc1cc(N2CCN(C(=O)NCCc3ccc4c(c3)OCCO4)CC2)nc(C(C)C)n1 ZINC000032843785 556428959 /nfs/dbraw/zinc/42/89/59/556428959.db2.gz CEBHHCISNYIBQV-UHFFFAOYSA-N 0 0 425.533 2.754 50 0 IFAARN C[C@H](NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000012993899 556429704 /nfs/dbraw/zinc/42/97/04/556429704.db2.gz RIVXAKHPXFTTFQ-INIZCTEOSA-N 0 0 437.512 2.539 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000012998130 556432158 /nfs/dbraw/zinc/43/21/58/556432158.db2.gz XNPBAZDZBIXKOV-HNNXBMFYSA-N 0 0 441.347 2.978 50 0 IFAARN O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(Br)c1 ZINC000012998989 556432633 /nfs/dbraw/zinc/43/26/33/556432633.db2.gz ROQOHTUAFYBFIV-OAHLLOKOSA-N 0 0 427.320 2.670 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000013000051 556432738 /nfs/dbraw/zinc/43/27/38/556432738.db2.gz BPLHOOSCYCIZIK-WBVHZDCISA-N 0 0 430.888 2.602 50 0 IFAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000014688381 556432867 /nfs/dbraw/zinc/43/28/67/556432867.db2.gz LMCRKVPMIPVKEW-UHFFFAOYSA-N 0 0 436.549 2.793 50 0 IFAARN COc1cccc2cc(C(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)c(=O)oc21 ZINC000032854674 556432914 /nfs/dbraw/zinc/43/29/14/556432914.db2.gz OIYNRMULIXIWGE-UHFFFAOYSA-N 0 0 444.509 2.559 50 0 IFAARN CCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2ccsc2c1=O ZINC000027819285 556433630 /nfs/dbraw/zinc/43/36/30/556433630.db2.gz QQGIWZSSPZFIFY-UHFFFAOYSA-N 0 0 433.555 2.946 50 0 IFAARN COc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc(OC)c1Br ZINC000013002620 556434229 /nfs/dbraw/zinc/43/42/29/556434229.db2.gz NGSGYHZYANSBRB-UHFFFAOYSA-N 0 0 432.274 2.975 50 0 IFAARN COC(=O)c1sccc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000032857994 556434279 /nfs/dbraw/zinc/43/42/79/556434279.db2.gz IOPOEOYBMIFOBB-SFHVURJKSA-N 0 0 443.525 2.753 50 0 IFAARN CCn1nnc2cc(C(=O)OCC(=O)NCc3c(C)nn(Cc4ccccc4)c3C)ccc21 ZINC000014705345 556434884 /nfs/dbraw/zinc/43/48/84/556434884.db2.gz BATYRQYHVOYUAY-UHFFFAOYSA-N 0 0 446.511 2.786 50 0 IFAARN Cc1nc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)n(C[C@H]2CCCO2)c1C ZINC000027956245 556435997 /nfs/dbraw/zinc/43/59/97/556435997.db2.gz MZRNSWJQALGIMC-OAHLLOKOSA-N 0 0 438.500 2.804 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000013014803 556436953 /nfs/dbraw/zinc/43/69/53/556436953.db2.gz NSBBFWXWAJIVER-OAHLLOKOSA-N 0 0 443.500 2.721 50 0 IFAARN C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(Cl)s3)CCN2C1=O ZINC000014733610 556437859 /nfs/dbraw/zinc/43/78/59/556437859.db2.gz FOGCWDRCGGDKRI-BJZITVGISA-N 0 0 433.961 2.518 50 0 IFAARN CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)[C@H]1CC(=O)OC13CCCCC3)CC2 ZINC000014741850 556438961 /nfs/dbraw/zinc/43/89/61/556438961.db2.gz WVYLQJIVUZBSLM-QGZVFWFLSA-N 0 0 429.517 2.621 50 0 IFAARN O=C1CCCN1CCCN1C[C@@H](OCc2ccccc2)CN(Cc2ccoc2)CC1=O ZINC000014742678 556439299 /nfs/dbraw/zinc/43/92/99/556439299.db2.gz BUCJIWMDKKCJLC-QFIPXVFZSA-N 0 0 425.529 2.522 50 0 IFAARN Cn1c(=O)c2cc(C(=O)N[C@H](c3cc4ccccc4o3)c3ccccc3)cnc2n(C)c1=O ZINC000013020429 556439643 /nfs/dbraw/zinc/43/96/43/556439643.db2.gz OZQLXJACNWURSB-NRFANRHFSA-N 0 0 440.459 2.898 50 0 IFAARN O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 ZINC000014749323 556442592 /nfs/dbraw/zinc/44/25/92/556442592.db2.gz LHSRVQMMECSNON-KSZLIROESA-N 0 0 446.429 2.538 50 0 IFAARN O=C(COc1ccc2c(c1)CCC2)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000013037757 556443237 /nfs/dbraw/zinc/44/32/37/556443237.db2.gz ZPSYNXQBNZLXGY-HXUWFJFHSA-N 0 0 433.508 2.998 50 0 IFAARN CCOC(=O)C1=C(CN(C)CC(=O)Nc2ccc(F)cc2)NC(=O)N[C@@H]1c1cccs1 ZINC000013038099 556443780 /nfs/dbraw/zinc/44/37/80/556443780.db2.gz LCYICQQMMMLGPQ-LJQANCHMSA-N 0 0 446.504 2.629 50 0 IFAARN CN1CCCn2nc(C3CCN(C(=O)Nc4ccc5c(c4)OCCO5)CC3)cc2C1=O ZINC000065225854 556445145 /nfs/dbraw/zinc/44/51/45/556445145.db2.gz WVJTVBYDZJCZES-UHFFFAOYSA-N 0 0 425.489 2.542 50 0 IFAARN C[C@@H](C(=O)OCc1cc(=O)n2ccccc2n1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000014759931 556445166 /nfs/dbraw/zinc/44/51/66/556445166.db2.gz NOHWCFZVKAFVPO-JTQLQIEISA-N 0 0 446.246 2.729 50 0 IFAARN COc1cc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)ccc1NC(C)=O ZINC000013040044 556445958 /nfs/dbraw/zinc/44/59/58/556445958.db2.gz PTWBIPBSTMEHBD-UHFFFAOYSA-N 0 0 433.530 2.838 50 0 IFAARN CCN(C(=O)CCCOc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013040614 556446334 /nfs/dbraw/zinc/44/63/34/556446334.db2.gz MRUJWILKRJTKOZ-UHFFFAOYSA-N 0 0 436.512 2.688 50 0 IFAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 ZINC000014801311 556446592 /nfs/dbraw/zinc/44/65/92/556446592.db2.gz ALBPHHMXIKBHOF-UHFFFAOYSA-N 0 0 445.463 2.808 50 0 IFAARN C[C@@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000032860339 556447120 /nfs/dbraw/zinc/44/71/20/556447120.db2.gz NRZVXLJPNONGEB-HZPDHXFCSA-N 0 0 428.510 2.750 50 0 IFAARN C[C@@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000032860340 556447126 /nfs/dbraw/zinc/44/71/26/556447126.db2.gz NRZVXLJPNONGEB-JKSUJKDBSA-N 0 0 428.510 2.750 50 0 IFAARN C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccc(Cl)cc1 ZINC000013041134 556447195 /nfs/dbraw/zinc/44/71/95/556447195.db2.gz YSZXSLMUZXTOIN-HNNXBMFYSA-N 0 0 439.940 2.663 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1Cl ZINC000013042232 556448116 /nfs/dbraw/zinc/44/81/16/556448116.db2.gz JCUCNTWZQGHOIM-CQSZACIVSA-N 0 0 427.979 2.585 50 0 IFAARN C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1Cl ZINC000013042233 556448210 /nfs/dbraw/zinc/44/82/10/556448210.db2.gz JCUCNTWZQGHOIM-AWEZNQCLSA-N 0 0 427.979 2.585 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)[C@@H]1C ZINC000013056971 556448798 /nfs/dbraw/zinc/44/87/98/556448798.db2.gz NVWPVKPZBCFCNL-DNVFCKCGSA-N 0 0 447.645 2.813 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013056459 556448846 /nfs/dbraw/zinc/44/88/46/556448846.db2.gz UKJJASCVMDWAIL-MAUKXSAKSA-N 0 0 447.523 2.707 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)[C@@H]1C ZINC000013056975 556448856 /nfs/dbraw/zinc/44/88/56/556448856.db2.gz NVWPVKPZBCFCNL-PWHSHALESA-N 0 0 447.645 2.813 50 0 IFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccco3)cc2)C1 ZINC000013057090 556449109 /nfs/dbraw/zinc/44/91/09/556449109.db2.gz ACIMZKZQJAMAGT-HOTGVXAUSA-N 0 0 433.530 2.705 50 0 IFAARN COCCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000032868730 556449269 /nfs/dbraw/zinc/44/92/69/556449269.db2.gz YNRRCJWYHPGHHX-CQSZACIVSA-N 0 0 431.470 2.579 50 0 IFAARN CC(C)n1ncc2cc(C(=O)N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)cnc21 ZINC000032868885 556449411 /nfs/dbraw/zinc/44/94/11/556449411.db2.gz RDYXOUUKRCETBV-UHFFFAOYSA-N 0 0 445.520 2.688 50 0 IFAARN Cc1cc(=O)c(C(=O)NCc2ccc(Cn3cncn3)cc2)nn1-c1ccccc1Cl ZINC000032868962 556449858 /nfs/dbraw/zinc/44/98/58/556449858.db2.gz VYJITMJKCHAZBV-UHFFFAOYSA-N 0 0 434.887 2.764 50 0 IFAARN CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000013061383 556450840 /nfs/dbraw/zinc/45/08/40/556450840.db2.gz NPSCWKQXOGTLKN-UHFFFAOYSA-N 0 0 444.509 2.505 50 0 IFAARN COc1ccc([C@@H](CNC(=O)c2nn(-c3ccc(OC)cc3)ccc2=O)N2CCCC2)cc1 ZINC000028293378 556451050 /nfs/dbraw/zinc/45/10/50/556451050.db2.gz GIQCQIRSCNSXPR-JOCHJYFZSA-N 0 0 448.523 2.817 50 0 IFAARN CCOc1ccc(NC(=O)c2cnc3c(cnn3C(C)C)c2)cc1S(=O)(=O)N(C)C ZINC000032865826 556451125 /nfs/dbraw/zinc/45/11/25/556451125.db2.gz QGEKIGUHNPPUED-UHFFFAOYSA-N 0 0 431.518 2.914 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2)C1 ZINC000013063891 556452285 /nfs/dbraw/zinc/45/22/85/556452285.db2.gz WTADAIOXZGONIQ-SJORKVTESA-N 0 0 433.574 2.837 50 0 IFAARN Cc1cccc(C(=O)N[C@@H](C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)C(C)C)c1 ZINC000032958277 556454039 /nfs/dbraw/zinc/45/40/39/556454039.db2.gz ZUPUOBWSICFTLD-YCRPNKLZSA-N 0 0 438.480 2.895 50 0 IFAARN CC(C)Nc1nn(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c(=S)s1 ZINC000013073638 556454546 /nfs/dbraw/zinc/45/45/46/556454546.db2.gz ZEYKJNDTBPQSIM-UHFFFAOYSA-N 0 0 449.574 2.737 50 0 IFAARN CC(C)Nc1nn(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(=S)s1 ZINC000013073611 556454552 /nfs/dbraw/zinc/45/45/52/556454552.db2.gz BVJRFASOMRRKQV-UHFFFAOYSA-N 0 0 431.584 2.597 50 0 IFAARN Cc1sc2ncn(CCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c2c1C ZINC000032870708 556457251 /nfs/dbraw/zinc/45/72/51/556457251.db2.gz AUEWNBMKJVMZHT-UHFFFAOYSA-N 0 0 428.470 2.584 50 0 IFAARN Cn1c(Cc2cccs2)nn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1=S ZINC000013098851 556459453 /nfs/dbraw/zinc/45/94/53/556459453.db2.gz XBRRGOVEQCTKND-UHFFFAOYSA-N 0 0 449.627 2.567 50 0 IFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000028714907 556459438 /nfs/dbraw/zinc/45/94/38/556459438.db2.gz MZXKXYIEJLGIQF-LJQANCHMSA-N 0 0 430.464 2.516 50 0 IFAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1=O ZINC000013100214 556459833 /nfs/dbraw/zinc/45/98/33/556459833.db2.gz ISYFGBQAHQRRCY-RUZDIDTESA-N 0 0 443.459 2.795 50 0 IFAARN O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000032958836 556460635 /nfs/dbraw/zinc/46/06/35/556460635.db2.gz LALGMGNHJPOOHV-UHFFFAOYSA-N 0 0 449.916 2.710 50 0 IFAARN O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1cccc(F)c1F)CC2 ZINC000014952983 556461224 /nfs/dbraw/zinc/46/12/24/556461224.db2.gz SDMGOTCOBKGKOC-UHFFFAOYSA-N 0 0 443.473 2.655 50 0 IFAARN COc1ccc([C@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)N2CCOCC2)cc1 ZINC000013102731 556461352 /nfs/dbraw/zinc/46/13/52/556461352.db2.gz CZXTWSJAXQSLDH-FPOVZHCZSA-N 0 0 441.553 2.688 50 0 IFAARN COc1cccc(C(=O)NCCNC(=O)Nc2ccccc2I)c1 ZINC000072280568 556461704 /nfs/dbraw/zinc/46/17/04/556461704.db2.gz UCWSAKDVIXSMEQ-UHFFFAOYSA-N 0 0 439.253 2.851 50 0 IFAARN Cc1oc(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)c2c1c(C)n[nH]c2=O ZINC000013108734 556462315 /nfs/dbraw/zinc/46/23/15/556462315.db2.gz RNXSGDFIRCVFKZ-UHFFFAOYSA-N 0 0 425.319 2.827 50 0 IFAARN Cc1nc(SCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)sc1CC(N)=O ZINC000032871371 556462343 /nfs/dbraw/zinc/46/23/43/556462343.db2.gz WDTIKPJPZZAYED-LJQANCHMSA-N 0 0 435.571 2.856 50 0 IFAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000013109550 556462963 /nfs/dbraw/zinc/46/29/63/556462963.db2.gz RUXZJOVKTLIGTK-KGLIPLIRSA-N 0 0 426.344 2.878 50 0 IFAARN CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1COc2ccccc2O1 ZINC000028914337 556463798 /nfs/dbraw/zinc/46/37/98/556463798.db2.gz HJCUSCRIRYMFCK-CYBMUJFWSA-N 0 0 428.304 2.966 50 0 IFAARN Cc1cc(N2CCN(CC(=O)N[C@H](c3nccn3C)c3ccccc3)CC2)nc(C(C)C)n1 ZINC000028936224 556464426 /nfs/dbraw/zinc/46/44/26/556464426.db2.gz FAGFXYIDMSAGCU-QHCPKHFHSA-N 0 0 447.587 2.670 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000013112413 556464915 /nfs/dbraw/zinc/46/49/15/556464915.db2.gz MRNCKORQDNDJAT-HNNXBMFYSA-N 0 0 446.525 2.596 50 0 IFAARN Cc1occc1-c1nnc(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)n1C ZINC000013114833 556467572 /nfs/dbraw/zinc/46/75/72/556467572.db2.gz FWXLPYBPTZAUFA-INIZCTEOSA-N 0 0 446.554 2.696 50 0 IFAARN Cc1c(=O)c2cccc(C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)c2oc1-c1ccccc1 ZINC000029189597 556469609 /nfs/dbraw/zinc/46/96/09/556469609.db2.gz BBHIPUKIPFEKMT-QGZVFWFLSA-N 0 0 440.521 2.922 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cc2c(cc1Br)OCCO2 ZINC000029273442 556471345 /nfs/dbraw/zinc/47/13/45/556471345.db2.gz RVQFUXZFANAQRB-UHFFFAOYSA-N 0 0 436.214 2.745 50 0 IFAARN O=C(Cn1ncc2ccccc2c1=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000029285993 556471573 /nfs/dbraw/zinc/47/15/73/556471573.db2.gz DJVGJPCVIUJFOL-UHFFFAOYSA-N 0 0 446.429 2.640 50 0 IFAARN COCc1c(C(=O)NCCn2ccnc2)c(=O)cc(C)n1CCc1ccccc1Cl ZINC000014988833 556473673 /nfs/dbraw/zinc/47/36/73/556473673.db2.gz FNSCIYQIJUUWPH-UHFFFAOYSA-N 0 0 428.920 2.826 50 0 IFAARN O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc2c[nH]nc21 ZINC000029385373 556473921 /nfs/dbraw/zinc/47/39/21/556473921.db2.gz MXGIKJZWSVSJSY-UHFFFAOYSA-N 0 0 444.513 2.812 50 0 IFAARN O=C1COc2ccc(S(=O)(=O)N3CCC[C@H](c4nc(-c5ccccc5)c[nH]4)C3)cc2N1 ZINC000072284605 556474970 /nfs/dbraw/zinc/47/49/70/556474970.db2.gz WWMUAACROJLLRR-INIZCTEOSA-N 0 0 438.509 2.976 50 0 IFAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000029422312 556475033 /nfs/dbraw/zinc/47/50/33/556475033.db2.gz ZYPZCMDZSNEVQF-IBGZPJMESA-N 0 0 447.582 2.634 50 0 IFAARN O=C([C@H]1CC12CCN(C(=O)[C@@H]1CCCO1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000014993691 556476357 /nfs/dbraw/zinc/47/63/57/556476357.db2.gz KRCUNLWBPDWBSI-XIZQWUBESA-N 0 0 437.584 2.652 50 0 IFAARN Cc1ccc(-c2noc(CCC(=O)N(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000029480013 556476461 /nfs/dbraw/zinc/47/64/61/556476461.db2.gz ULIXMLDYUUNWGQ-HNNXBMFYSA-N 0 0 428.514 2.845 50 0 IFAARN COc1ccc2c(c1)CCCN2C(=O)CSc1nnc(N2CCOCC2)n1CC(C)C ZINC000029503626 556476987 /nfs/dbraw/zinc/47/69/87/556476987.db2.gz IAFSAMMYUHECHA-UHFFFAOYSA-N 0 0 445.589 2.851 50 0 IFAARN COCCN(C)C(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C1CC1 ZINC000014995870 556478018 /nfs/dbraw/zinc/47/80/18/556478018.db2.gz KIFNQMNNPCGEET-UHFFFAOYSA-N 0 0 437.500 2.942 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1S(=O)(=O)N(C)C ZINC000013129775 556479580 /nfs/dbraw/zinc/47/95/80/556479580.db2.gz HPVMFKIUODBLTI-UHFFFAOYSA-N 0 0 443.525 2.841 50 0 IFAARN CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000013130874 556480020 /nfs/dbraw/zinc/48/00/20/556480020.db2.gz YISSKYWXQTWBOL-LBPRGKRZSA-N 0 0 428.367 2.698 50 0 IFAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC[C@@H]2CN(S(=O)(=O)N(C)C)CC[C@@H]21 ZINC000015001579 556480134 /nfs/dbraw/zinc/48/01/34/556480134.db2.gz IEIRXLGEODXSCP-NUJGCVRESA-N 0 0 443.997 2.535 50 0 IFAARN Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCCN(C)c2nc3ccccc3nc21 ZINC000029787126 556482613 /nfs/dbraw/zinc/48/26/13/556482613.db2.gz SKOGWNYFFGVBFA-UHFFFAOYSA-N 0 0 428.496 2.911 50 0 IFAARN CCNC(=O)NC(=O)CSc1nnc(-c2cc(OCC)c(OCC)c(OCC)c2)o1 ZINC000013135016 556483093 /nfs/dbraw/zinc/48/30/93/556483093.db2.gz JMEKNWURYYOVSN-UHFFFAOYSA-N 0 0 438.506 2.871 50 0 IFAARN O=S(=O)(c1ccc(OCCSc2ncnc3ccccc32)cc1)N1CCOCC1 ZINC000029827110 556483461 /nfs/dbraw/zinc/48/34/61/556483461.db2.gz JDRUTSYJXCRAGC-UHFFFAOYSA-N 0 0 431.539 2.822 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000013136227 556483762 /nfs/dbraw/zinc/48/37/62/556483762.db2.gz PQTHGFXZEWCZIG-KRWDZBQOSA-N 0 0 433.555 2.776 50 0 IFAARN COc1cc(OC)nc(NC(=O)COC(=O)c2cc3c4ccccc4n(C)c3s2)n1 ZINC000029865177 556484916 /nfs/dbraw/zinc/48/49/16/556484916.db2.gz ILMMDVFWLGRLKA-UHFFFAOYSA-N 0 0 426.454 2.996 50 0 IFAARN O=C(C1CCN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)CC1)N1CCc2ccccc2C1 ZINC000029883629 556485531 /nfs/dbraw/zinc/48/55/31/556485531.db2.gz RXXCWUMETQMXJT-JOCHJYFZSA-N 0 0 433.556 2.517 50 0 IFAARN Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)C2=O)c(C)c1 ZINC000013138901 556485690 /nfs/dbraw/zinc/48/56/90/556485690.db2.gz ZSRKRMRGEWIZRI-MRXNPFEDSA-N 0 0 435.933 2.951 50 0 IFAARN Cc1cc(C)cc(-n2nc(-c3ccco3)cc2NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 ZINC000072290500 556486329 /nfs/dbraw/zinc/48/63/29/556486329.db2.gz QNXAZYQQRBLWEB-UHFFFAOYSA-N 0 0 443.467 2.831 50 0 IFAARN Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccccc1 ZINC000015019707 556487708 /nfs/dbraw/zinc/48/77/08/556487708.db2.gz JTPSIYGNGDUWDX-UHFFFAOYSA-N 0 0 431.543 2.512 50 0 IFAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000013146293 556488343 /nfs/dbraw/zinc/48/83/43/556488343.db2.gz FGNBBPGOAYSFBS-AWEZNQCLSA-N 0 0 440.616 2.974 50 0 IFAARN CC1CCN(c2nnc(SCC(=O)NC[C@@H]3COc4ccccc4O3)n2C2CC2)CC1 ZINC000032876406 556488428 /nfs/dbraw/zinc/48/84/28/556488428.db2.gz IQVYNHKDDMOEQL-QGZVFWFLSA-N 0 0 443.573 2.898 50 0 IFAARN COc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCOCC2)cc1 ZINC000029993395 556488602 /nfs/dbraw/zinc/48/86/02/556488602.db2.gz KGOYATRMTQLMTA-NZQKXSOJSA-N 0 0 437.540 2.546 50 0 IFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000013149123 556490771 /nfs/dbraw/zinc/49/07/71/556490771.db2.gz QUVCWTOXRRVONE-MCMMXHMISA-N 0 0 427.432 2.781 50 0 IFAARN CSCC[C@H](C(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C)N1C(=O)c2ccccc2C1=O ZINC000013149600 556491337 /nfs/dbraw/zinc/49/13/37/556491337.db2.gz CBIUMCNXKYONIF-JCGIZDLHSA-N 0 0 432.542 2.642 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3c4ccccc4oc3=O)cc2)C1 ZINC000013149545 556491346 /nfs/dbraw/zinc/49/13/46/556491346.db2.gz SHUCSWXPQBOWLL-HNNXBMFYSA-N 0 0 429.498 2.654 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3c4ccccc4oc3=O)cc2)C1 ZINC000013149544 556491399 /nfs/dbraw/zinc/49/13/99/556491399.db2.gz SHUCSWXPQBOWLL-OAHLLOKOSA-N 0 0 429.498 2.654 50 0 IFAARN COc1cccc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)c1 ZINC000015065885 556492741 /nfs/dbraw/zinc/49/27/41/556492741.db2.gz FYFYMFHIPNOGBO-NRFANRHFSA-N 0 0 433.574 2.886 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O)c1ccc2c(c1)OCCO2 ZINC000030345907 556493267 /nfs/dbraw/zinc/49/32/67/556493267.db2.gz CGCKCJBWOPNUJO-JBEBIEQOSA-N 0 0 449.463 2.848 50 0 IFAARN Cn1c(=O)c2cc(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)cnc2n(C)c1=O ZINC000030391629 556493596 /nfs/dbraw/zinc/49/35/96/556493596.db2.gz XDTCDDOTUMCSNO-UHFFFAOYSA-N 0 0 434.427 2.603 50 0 IFAARN COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)c2ccc(NC(C)=O)cc2F)C1=O ZINC000013163607 556493949 /nfs/dbraw/zinc/49/39/49/556493949.db2.gz CHITZSPEHDKAJW-JOCHJYFZSA-N 0 0 427.432 2.529 50 0 IFAARN COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)c2ccc(NC(C)=O)cc2F)C1=O ZINC000013163608 556494024 /nfs/dbraw/zinc/49/40/24/556494024.db2.gz CHITZSPEHDKAJW-QFIPXVFZSA-N 0 0 427.432 2.529 50 0 IFAARN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCCOc1ccc2ccccc2c1 ZINC000030446713 556494750 /nfs/dbraw/zinc/49/47/50/556494750.db2.gz QTWHMXZMOUQUCT-UHFFFAOYSA-N 0 0 437.521 2.929 50 0 IFAARN COc1ccc(C(NC(=O)COc2ccc(-n3cnnn3)cc2)c2ccc(OC)cc2)cc1 ZINC000013163888 556495148 /nfs/dbraw/zinc/49/51/48/556495148.db2.gz LWFOHABPNAKJRT-UHFFFAOYSA-N 0 0 445.479 2.964 50 0 IFAARN CSc1ccccc1NC(=O)CN(C)CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000013164369 556496465 /nfs/dbraw/zinc/49/64/65/556496465.db2.gz AMFGJBDYFVSTIT-HNNXBMFYSA-N 0 0 429.542 2.927 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000011068534 556497407 /nfs/dbraw/zinc/49/74/07/556497407.db2.gz LCKUFXJVNHQJMO-LBPRGKRZSA-N 0 0 434.418 2.738 50 0 IFAARN CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccncc3)cc2Cl)CC1 ZINC000015079119 556500246 /nfs/dbraw/zinc/50/02/46/556500246.db2.gz RAUIEWMLJXZYIJ-UHFFFAOYSA-N 0 0 437.949 2.510 50 0 IFAARN Cc1cc(C)n([C@@H](C)C(=O)NCCN(CC(F)(F)F)C(=O)[C@H](C)n2nc(C)cc2C)n1 ZINC000072292814 556501056 /nfs/dbraw/zinc/50/10/56/556501056.db2.gz GZOOHKPKXPTBBY-IRXDYDNUSA-N 0 0 442.486 2.643 50 0 IFAARN C[C@H](CNS(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1)OC12CC3CC(CC(C3)C1)C2 ZINC000015081322 556501165 /nfs/dbraw/zinc/50/11/65/556501165.db2.gz LENCUNYTTMYRJV-JWEZACLISA-N 0 0 432.586 2.942 50 0 IFAARN CCN(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000030674115 556501795 /nfs/dbraw/zinc/50/17/95/556501795.db2.gz LPOZHLNQFCIIPF-UHFFFAOYSA-N 0 0 447.539 2.622 50 0 IFAARN COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1ccc(OC)c(OC)c1OC ZINC000015083682 556501936 /nfs/dbraw/zinc/50/19/36/556501936.db2.gz KUWUKGFADNZBTO-UHFFFAOYSA-N 0 0 435.429 2.777 50 0 IFAARN CC(=O)OCCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000013370208 556503424 /nfs/dbraw/zinc/50/34/24/556503424.db2.gz OUKNMAMAICRVNZ-QGOAFFKASA-N 0 0 431.286 2.899 50 0 IFAARN COc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4c(C)noc4C)CC3)cs2)cc1 ZINC000015104792 556503921 /nfs/dbraw/zinc/50/39/21/556503921.db2.gz RTTPNRQRBDIQLT-UHFFFAOYSA-N 0 0 448.570 2.930 50 0 IFAARN COc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1OC ZINC000013425355 556505556 /nfs/dbraw/zinc/50/55/56/556505556.db2.gz DDWXVDCYDNQTBG-UHFFFAOYSA-N 0 0 440.949 2.791 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015136157 556505879 /nfs/dbraw/zinc/50/58/79/556505879.db2.gz DIDPQQTWXRCGCC-QGZVFWFLSA-N 0 0 444.532 2.701 50 0 IFAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1nnc2ccccn21)OCc1ccccc1 ZINC000032716840 556506272 /nfs/dbraw/zinc/50/62/72/556506272.db2.gz NQMUXGTUOGRXJN-HXUWFJFHSA-N 0 0 429.480 2.883 50 0 IFAARN CC[C@@H](C)c1ccccc1OCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000032879849 556507639 /nfs/dbraw/zinc/50/76/39/556507639.db2.gz WZRFHYJAHXNIEQ-QGZVFWFLSA-N 0 0 440.569 2.993 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccc(OCc2ccccc2)cc1 ZINC000013483793 556508257 /nfs/dbraw/zinc/50/82/57/556508257.db2.gz KOJWBGYLOTVIFJ-UHFFFAOYSA-N 0 0 425.510 2.743 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000032889059 556511828 /nfs/dbraw/zinc/51/18/28/556511828.db2.gz MQOQNGGKGYZWGS-CQSZACIVSA-N 0 0 434.418 2.929 50 0 IFAARN COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(=O)c3c(C)[nH]c4ccccc43)cc12 ZINC000013523318 556512469 /nfs/dbraw/zinc/51/24/69/556512469.db2.gz NWVKDSQCBHBWFB-UHFFFAOYSA-N 0 0 433.464 2.877 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C(=O)N(C)C)c3)C2)s1 ZINC000030871052 556513738 /nfs/dbraw/zinc/51/37/38/556513738.db2.gz FXOXRDDHHVJTTB-INIZCTEOSA-N 0 0 435.571 2.798 50 0 IFAARN Cc1cc(C)n(CCC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)n1 ZINC000032889321 556514004 /nfs/dbraw/zinc/51/40/04/556514004.db2.gz XUILDGXHGJHNOA-UHFFFAOYSA-N 0 0 428.924 2.938 50 0 IFAARN C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000032889192 556514020 /nfs/dbraw/zinc/51/40/20/556514020.db2.gz HCACMXUHQSAAID-GFCCVEGCSA-N 0 0 444.431 2.980 50 0 IFAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)CN(C)S(=O)(=O)c1cccs1 ZINC000032895257 556514969 /nfs/dbraw/zinc/51/49/69/556514969.db2.gz RWZBYHONNGXORS-UHFFFAOYSA-N 0 0 428.486 2.772 50 0 IFAARN O=C(C[C@@H]1C(=O)N(CCCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000030937567 556515309 /nfs/dbraw/zinc/51/53/09/556515309.db2.gz DTZLBSDOIOUMMQ-OAQYLSRUSA-N 0 0 433.512 2.675 50 0 IFAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cccc(NS(C)(=O)=O)c3)c2C)no1 ZINC000015279190 556515881 /nfs/dbraw/zinc/51/58/81/556515881.db2.gz ZGMBJNPAGPQKCJ-UHFFFAOYSA-N 0 0 431.470 2.802 50 0 IFAARN Cc1c(OCC(=O)NCCCN2CCOCC2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000013555879 556516518 /nfs/dbraw/zinc/51/65/18/556516518.db2.gz ZKMWOBLNIFOCRG-UHFFFAOYSA-N 0 0 436.508 2.986 50 0 IFAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000015314434 556518652 /nfs/dbraw/zinc/51/86/52/556518652.db2.gz OYXOEWHWYKRPBZ-QZGUCNERSA-N 0 0 445.629 2.957 50 0 IFAARN Cc1ccc(-c2noc(CN3CCN(C(=O)C[C@@H]4OC(=O)c5ccccc54)CC3)n2)cc1 ZINC000032891438 556519011 /nfs/dbraw/zinc/51/90/11/556519011.db2.gz ZAAQVEXTGDUJNH-FQEVSTJZSA-N 0 0 432.480 2.991 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)cc1 ZINC000032893310 556521055 /nfs/dbraw/zinc/52/10/55/556521055.db2.gz MOPQFQBMCGLTIF-UHFFFAOYSA-N 0 0 426.542 2.907 50 0 IFAARN COCCn1c(C)c(C)nc1SCC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C ZINC000032894027 556521502 /nfs/dbraw/zinc/52/15/02/556521502.db2.gz YKQDYGPDIMWVTJ-KRWDZBQOSA-N 0 0 439.603 2.899 50 0 IFAARN Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)CCCn2cncn2)c2ccccc2)c(C)c1 ZINC000072297594 556522861 /nfs/dbraw/zinc/52/28/61/556522861.db2.gz CWKMOADSNOSSTL-FQEVSTJZSA-N 0 0 441.557 2.511 50 0 IFAARN O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000072297829 556522954 /nfs/dbraw/zinc/52/29/54/556522954.db2.gz YHIBVJVQNHDANI-HXUWFJFHSA-N 0 0 433.512 2.559 50 0 IFAARN O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000013573745 556524067 /nfs/dbraw/zinc/52/40/67/556524067.db2.gz SBXWHQUQXVVNPN-MCRQTXEHSA-N 0 0 428.485 2.972 50 0 IFAARN CCC(CC)[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC ZINC000072300931 556524125 /nfs/dbraw/zinc/52/41/25/556524125.db2.gz PFGPCJULANCBDK-HYBUGGRVSA-N 0 0 439.512 2.701 50 0 IFAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C12CCCC2 ZINC000031811101 556526331 /nfs/dbraw/zinc/52/63/31/556526331.db2.gz SPKVMOWZPVJLLG-QHCPKHFHSA-N 0 0 448.567 2.929 50 0 IFAARN NS(=O)(=O)c1cc(C(=O)Nc2ccccc2I)ccc1Cl ZINC000015418360 556526798 /nfs/dbraw/zinc/52/67/98/556526798.db2.gz GSBPKNPAVLROAG-UHFFFAOYSA-N 0 0 436.658 2.844 50 0 IFAARN COC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CCCCC1 ZINC000032900521 556529524 /nfs/dbraw/zinc/52/95/24/556529524.db2.gz GZOKHACHFHEPRT-IRXDYDNUSA-N 0 0 436.574 2.959 50 0 IFAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000011083442 556529856 /nfs/dbraw/zinc/52/98/56/556529856.db2.gz OSSKXFJJSYQJJE-UHFFFAOYSA-N 0 0 438.553 2.988 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1F ZINC000015505503 556531647 /nfs/dbraw/zinc/53/16/47/556531647.db2.gz ZZETTZFBMVEXLS-UHFFFAOYSA-N 0 0 435.521 2.945 50 0 IFAARN NS(=O)(=O)c1ccc(CNC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC000015513291 556532303 /nfs/dbraw/zinc/53/23/03/556532303.db2.gz IVZKAHNFOHJDIS-UHFFFAOYSA-N 0 0 434.521 2.591 50 0 IFAARN COc1ccc(OC)c([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000015512810 556532372 /nfs/dbraw/zinc/53/23/72/556532372.db2.gz GGTQYUUTLFSCBG-NSHDSACASA-N 0 0 432.951 2.917 50 0 IFAARN Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000015521772 556533117 /nfs/dbraw/zinc/53/31/17/556533117.db2.gz UZOOITTXBNBUIO-OAQYLSRUSA-N 0 0 430.574 2.975 50 0 IFAARN O=C(NCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000032900972 556535310 /nfs/dbraw/zinc/53/53/10/556535310.db2.gz GMOOESHEJHGVSY-LBPRGKRZSA-N 0 0 444.376 2.623 50 0 IFAARN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000059811863 556535346 /nfs/dbraw/zinc/53/53/46/556535346.db2.gz FLZOBBBEFHTFEB-ZDUSSCGKSA-N 0 0 446.356 2.507 50 0 IFAARN Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCCCN2CCCCCC2=O)cc1 ZINC000032902495 556536532 /nfs/dbraw/zinc/53/65/32/556536532.db2.gz AWRBJIRZNPTZPG-UHFFFAOYSA-N 0 0 443.573 2.673 50 0 IFAARN COc1cc(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)cc(Cl)c1OC ZINC000013624026 556536544 /nfs/dbraw/zinc/53/65/44/556536544.db2.gz FJBGFDINLHCFPL-UHFFFAOYSA-N 0 0 432.860 2.942 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCCOc3ccccc3)cc2)C[C@H](C)O1 ZINC000011085927 556536838 /nfs/dbraw/zinc/53/68/38/556536838.db2.gz CXLJJRZYIWRXOT-ROUUACIJSA-N 0 0 432.542 2.683 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000015607031 556537361 /nfs/dbraw/zinc/53/73/61/556537361.db2.gz LIRNKEXIYPFVMX-FQEVSTJZSA-N 0 0 444.553 2.684 50 0 IFAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H]1CCS(=O)(=O)C1)oc1c3CCCC1 ZINC000013629706 556538826 /nfs/dbraw/zinc/53/88/26/556538826.db2.gz WXFMLDOUGLVIQQ-CQSZACIVSA-N 0 0 443.521 2.962 50 0 IFAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2C1=O ZINC000015628072 556538954 /nfs/dbraw/zinc/53/89/54/556538954.db2.gz PMKYPHBFTGEQHP-UHFFFAOYSA-N 0 0 435.461 2.695 50 0 IFAARN Cc1ccc(Cl)c(OCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000015647220 556540118 /nfs/dbraw/zinc/54/01/18/556540118.db2.gz CGGPARUOCWQTBS-UHFFFAOYSA-N 0 0 431.920 2.961 50 0 IFAARN COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2)CN1Cc1ccccc1Cl ZINC000032578219 556540870 /nfs/dbraw/zinc/54/08/70/556540870.db2.gz GYJXQBUAALLQQI-UGKGYDQZSA-N 0 0 431.964 2.844 50 0 IFAARN Cc1noc(C)c1Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)o1 ZINC000013641050 556542247 /nfs/dbraw/zinc/54/22/47/556542247.db2.gz XEPPERXKBQIRRY-UHFFFAOYSA-N 0 0 429.498 2.622 50 0 IFAARN CCn1ncc(-c2ccnc3c(C(=O)NCc4nn(C)c(Cl)c4Cl)cnn32)c1C ZINC000013644722 556543335 /nfs/dbraw/zinc/54/33/35/556543335.db2.gz AGYOJRRTADESPA-UHFFFAOYSA-N 0 0 433.303 2.891 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)NCc3ccccc3)C(C)C)ccc21 ZINC000004436077 556546219 /nfs/dbraw/zinc/54/62/19/556546219.db2.gz MUDXMQAOHXIPCA-QFIPXVFZSA-N 0 0 443.569 2.605 50 0 IFAARN C[C@H](NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(N)=O ZINC000004574698 556546262 /nfs/dbraw/zinc/54/62/62/556546262.db2.gz NLTGCWQJVYQJHP-OXJNMPFZSA-N 0 0 441.528 2.691 50 0 IFAARN COCCOC[C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000072303084 556546840 /nfs/dbraw/zinc/54/68/40/556546840.db2.gz SCCKHZATETZCKF-AWEZNQCLSA-N 0 0 432.970 2.542 50 0 IFAARN COc1cc(OC)cc(-c2nnc(SCC(=O)NC[C@H](C)c3ccccc3)n2N)c1 ZINC000032721603 556547240 /nfs/dbraw/zinc/54/72/40/556547240.db2.gz XBMWWRMIZXBXKG-AWEZNQCLSA-N 0 0 427.530 2.688 50 0 IFAARN COc1ccc(-n2ccn3c(CCC(=O)NCCCc4ccccc4)nnc3c2=O)cc1 ZINC000015736456 556547502 /nfs/dbraw/zinc/54/75/02/556547502.db2.gz KZFFYRWYNPBZCI-UHFFFAOYSA-N 0 0 431.496 2.570 50 0 IFAARN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000072305324 556550563 /nfs/dbraw/zinc/55/05/63/556550563.db2.gz XRHGCZWBMLBQQX-WBVHZDCISA-N 0 0 431.489 2.507 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(Cl)s3)CC2)c1C ZINC000015791330 556551813 /nfs/dbraw/zinc/55/18/13/556551813.db2.gz POIAHPUMCASYPL-UHFFFAOYSA-N 0 0 442.006 2.988 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 ZINC000032906352 556552181 /nfs/dbraw/zinc/55/21/81/556552181.db2.gz BLPGGQLFYGDAGL-ZDUSSCGKSA-N 0 0 438.322 2.539 50 0 IFAARN O=C(Nc1c(-c2ccccc2)nc2sccn21)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000022965609 556553358 /nfs/dbraw/zinc/55/33/58/556553358.db2.gz KLOWTESZDFCSEP-UHFFFAOYSA-N 0 0 445.512 2.751 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000011096226 556556481 /nfs/dbraw/zinc/55/64/81/556556481.db2.gz DEZLQNLVPVBKQR-UHFFFAOYSA-N 0 0 429.904 2.770 50 0 IFAARN CN1C(=O)N(C)C(=O)C(CNc2ccc(Cl)cc2)(Cc2ccc3c(c2)OCO3)C1=O ZINC000013681986 556556987 /nfs/dbraw/zinc/55/69/87/556556987.db2.gz BTRJYNOMXPXEDG-UHFFFAOYSA-N 0 0 429.860 2.760 50 0 IFAARN COc1ccc(NC(=O)C[C@H](C[NH+]2CCN(c3cccc(OC)c3)CC2)C(=O)[O-])cc1 ZINC000071283741 556559895 /nfs/dbraw/zinc/55/98/95/556559895.db2.gz MMLXLMXEKVLOHN-QGZVFWFLSA-N 0 0 427.501 2.555 50 0 IFAARN C[C@H]1CCCCN1C(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F ZINC000072306865 556560642 /nfs/dbraw/zinc/56/06/42/556560642.db2.gz VNKFQNPMFVPCFE-LBPRGKRZSA-N 0 0 449.342 2.624 50 0 IFAARN C[C@@H]1CCCCN1C(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F ZINC000072306864 556560657 /nfs/dbraw/zinc/56/06/57/556560657.db2.gz VNKFQNPMFVPCFE-GFCCVEGCSA-N 0 0 449.342 2.624 50 0 IFAARN CC(C)(O)CCSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1 ZINC000072307087 556561214 /nfs/dbraw/zinc/56/12/14/556561214.db2.gz RFJXXMBJYHHNEG-UHFFFAOYSA-N 0 0 435.615 2.841 50 0 IFAARN COc1ccc2[nH]cc(CCNS(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)c2c1 ZINC000072307367 556562359 /nfs/dbraw/zinc/56/23/59/556562359.db2.gz LQWPTCWJJYROIZ-UHFFFAOYSA-N 0 0 435.889 2.682 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000015934910 556566014 /nfs/dbraw/zinc/56/60/14/556566014.db2.gz YKAXUOJALAKHKS-UHFFFAOYSA-N 0 0 443.301 2.565 50 0 IFAARN O=C(Nc1ccccc1O)C1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000032908947 556566296 /nfs/dbraw/zinc/56/62/96/556566296.db2.gz RHVWLKBZBVRPLV-UHFFFAOYSA-N 0 0 437.548 2.633 50 0 IFAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(I)cc1)C2=O ZINC000015978173 556570579 /nfs/dbraw/zinc/57/05/79/556570579.db2.gz QODHINQOORTELR-DIFFPNOSSA-N 0 0 441.269 2.730 50 0 IFAARN CCOc1ccc(CN(C)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000072309760 556573138 /nfs/dbraw/zinc/57/31/38/556573138.db2.gz XYQULCLABSYXLU-IAGOWNOFSA-N 0 0 429.521 2.582 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N=c3[nH]c4ccccc4[nH]3)ccc2Cl)C[C@H](C)O1 ZINC000016019821 556574743 /nfs/dbraw/zinc/57/47/43/556574743.db2.gz DTUQYTKDSDCNRV-STQMWFEESA-N 0 0 448.932 2.688 50 0 IFAARN O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccccc2F)CC1 ZINC000016225963 556575470 /nfs/dbraw/zinc/57/54/70/556575470.db2.gz AWNQHBCIWHVUOK-UHFFFAOYSA-N 0 0 442.510 2.742 50 0 IFAARN OCCCN(Cc1ccncc1)c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC000072310991 556577255 /nfs/dbraw/zinc/57/72/55/556577255.db2.gz CHRBFKSESCMBDK-UHFFFAOYSA-N 0 0 439.585 2.796 50 0 IFAARN O=C(NCCNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(C(F)(F)F)cc1 ZINC000032909886 556577825 /nfs/dbraw/zinc/57/78/25/556577825.db2.gz VQMGWQSVHUWDIP-HNNXBMFYSA-N 0 0 437.418 2.697 50 0 IFAARN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 ZINC000016039030 556578040 /nfs/dbraw/zinc/57/80/40/556578040.db2.gz YERMDPLMMXQBQO-PLACYPQZSA-N 0 0 445.475 2.909 50 0 IFAARN Cc1ccc(OC[C@@H](O)CN2CCN(C[C@H](O)COc3ccc(C)cc3C)CC2)c(C)c1 ZINC000022942679 556578295 /nfs/dbraw/zinc/57/82/95/556578295.db2.gz NZKIJLNQPNZRLF-ZEQRLZLVSA-N 0 0 442.600 2.717 50 0 IFAARN CCC1(CC)NC(=O)N(CC(=O)N(C)Cc2cc(Br)ccc2OC)C1=O ZINC000016045932 556579868 /nfs/dbraw/zinc/57/98/68/556579868.db2.gz SDOOXHHVUHCBQY-UHFFFAOYSA-N 0 0 426.311 2.527 50 0 IFAARN COc1cc(Cl)c(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000011102182 556580094 /nfs/dbraw/zinc/58/00/94/556580094.db2.gz KYLWAFMUMRMBIH-OAHLLOKOSA-N 0 0 438.933 2.989 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 ZINC000032910892 556581732 /nfs/dbraw/zinc/58/17/32/556581732.db2.gz BPLGYGJBUYOAPA-CYBMUJFWSA-N 0 0 426.425 2.541 50 0 IFAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000016088279 556582245 /nfs/dbraw/zinc/58/22/45/556582245.db2.gz NUDUUUUBOCWDBZ-UHFFFAOYSA-N 0 0 440.974 2.524 50 0 IFAARN COc1ccccc1[C@@H]1NC(=O)N(C)C2=C1C(=O)N(CCC(=O)Nc1ccc(C)cc1)C2 ZINC000034793231 556582607 /nfs/dbraw/zinc/58/26/07/556582607.db2.gz YZNGNZKHPUGORX-QFIPXVFZSA-N 0 0 434.496 2.825 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CS(=O)(=O)C[C@H]1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000238899987 556583632 /nfs/dbraw/zinc/58/36/32/556583632.db2.gz HNRQDGHEHSFNCZ-QONVVCGCSA-N 0 0 426.623 2.817 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCc1ccc(Cl)cc1 ZINC000034858779 556584123 /nfs/dbraw/zinc/58/41/23/556584123.db2.gz BZAXRXGZDUKFCA-UHFFFAOYSA-N 0 0 448.397 2.678 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc(S(C)(=O)=O)ccc3C)ccc21 ZINC000016119690 556584342 /nfs/dbraw/zinc/58/43/42/556584342.db2.gz KJAQENXKIYNLFQ-AWEZNQCLSA-N 0 0 429.494 2.736 50 0 IFAARN Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(C)n1C ZINC000034878970 556585236 /nfs/dbraw/zinc/58/52/36/556585236.db2.gz AUUSKASCXPKHGB-UHFFFAOYSA-N 0 0 443.491 2.850 50 0 IFAARN Cc1ccccc1OCCN(C)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000016147524 556585617 /nfs/dbraw/zinc/58/56/17/556585617.db2.gz BEUCVYCHRMZYBM-UHFFFAOYSA-N 0 0 441.553 2.693 50 0 IFAARN COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@H]1c1cccnc1 ZINC000034897629 556586295 /nfs/dbraw/zinc/58/62/95/556586295.db2.gz XLXCQPSCZFIKDR-GOTSBHOMSA-N 0 0 445.475 2.865 50 0 IFAARN COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@@H]1c1cccnc1 ZINC000034897628 556586345 /nfs/dbraw/zinc/58/63/45/556586345.db2.gz XLXCQPSCZFIKDR-XZOQPEGZSA-N 0 0 445.475 2.865 50 0 IFAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000032966750 556587508 /nfs/dbraw/zinc/58/75/08/556587508.db2.gz FQKOVRNRIJDYHN-GOSISDBHSA-N 0 0 430.526 2.773 50 0 IFAARN CCCCN1C(=O)c2ccc(C(=O)NCC3(N4CCOCC4)CCCCC3)cc2C1=O ZINC000032967405 556587673 /nfs/dbraw/zinc/58/76/73/556587673.db2.gz DQJHLDQJAKDBKX-UHFFFAOYSA-N 0 0 427.545 2.848 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCCC[C@H]3C)c2)CC1 ZINC000032969007 556588017 /nfs/dbraw/zinc/58/80/17/556588017.db2.gz VFTPXGHEOWSUJS-BEFAXECRSA-N 0 0 427.998 2.975 50 0 IFAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000032971018 556589063 /nfs/dbraw/zinc/58/90/63/556589063.db2.gz CGMLPKTYZYUSMF-UHFFFAOYSA-N 0 0 447.520 2.756 50 0 IFAARN O=C(NC[C@]1(O)CCSC1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000072311785 556591002 /nfs/dbraw/zinc/59/10/02/556591002.db2.gz VRJGTSGBNFIBNH-GOSISDBHSA-N 0 0 444.937 2.878 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc(C(=O)OC)c1 ZINC000032913001 556593724 /nfs/dbraw/zinc/59/37/24/556593724.db2.gz AHLXMDJRAQLUIE-GFCCVEGCSA-N 0 0 432.864 2.558 50 0 IFAARN CN1CCN(C(=O)c2cc(I)ccc2NC(=O)c2ccco2)CC1 ZINC000016286602 556597646 /nfs/dbraw/zinc/59/76/46/556597646.db2.gz BKSVSYZYXMIAMI-UHFFFAOYSA-N 0 0 439.253 2.524 50 0 IFAARN O=C(CSc1nncn1CCc1cccs1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000011106356 556598457 /nfs/dbraw/zinc/59/84/57/556598457.db2.gz LRXCHXQICDPITC-UHFFFAOYSA-N 0 0 445.526 2.794 50 0 IFAARN O=c1oc2ccccc2n1CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000016344219 556601038 /nfs/dbraw/zinc/60/10/38/556601038.db2.gz RBCCYOMDNYKCRR-UHFFFAOYSA-N 0 0 442.324 2.865 50 0 IFAARN CCOC(=O)COc1c(Cl)cc([C@H]2NC(=S)N=C(C)C2C(=O)OCC)cc1OC ZINC000016361710 556602710 /nfs/dbraw/zinc/60/27/10/556602710.db2.gz MQTCEPFFLDPPNK-MRXNPFEDSA-N 0 0 442.921 2.646 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N(C)[C@H](C)c3ccccc3)CC2)cc1 ZINC000016427402 556606799 /nfs/dbraw/zinc/60/67/99/556606799.db2.gz HATNAWVNBQISQC-HXUWFJFHSA-N 0 0 429.586 2.911 50 0 IFAARN Cc1ccc(CN(C)C(=O)CN2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000016427790 556606844 /nfs/dbraw/zinc/60/68/44/556606844.db2.gz OYTCMVAYTZYSCS-UHFFFAOYSA-N 0 0 429.586 2.658 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccccc3)cc2)CC1 ZINC000016426522 556606847 /nfs/dbraw/zinc/60/68/47/556606847.db2.gz KCGJVISWXVHMOM-UHFFFAOYSA-N 0 0 430.526 2.716 50 0 IFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)N[C@H](C)Cc3ccco3)s2)cc1 ZINC000032987400 556607413 /nfs/dbraw/zinc/60/74/13/556607413.db2.gz RKRINKCYBHZIPJ-CYBMUJFWSA-N 0 0 430.486 2.656 50 0 IFAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccccc1OCC(=O)Nc1ccccc1C ZINC000016447833 556608301 /nfs/dbraw/zinc/60/83/01/556608301.db2.gz KATPDVDZEZMYHX-FQEVSTJZSA-N 0 0 425.510 2.978 50 0 IFAARN CCc1cccc(NC(=O)CCNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)c1 ZINC000032996401 556611812 /nfs/dbraw/zinc/61/18/12/556611812.db2.gz LGKVVBLUPYYULP-UHFFFAOYSA-N 0 0 446.573 2.737 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cccc(CS(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000016488288 556611847 /nfs/dbraw/zinc/61/18/47/556611847.db2.gz SNGXVRGHHWILNU-UHFFFAOYSA-N 0 0 430.526 2.883 50 0 IFAARN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C1 ZINC000032915294 556611850 /nfs/dbraw/zinc/61/18/50/556611850.db2.gz DEMDCNLAPDWWQL-GOSISDBHSA-N 0 0 447.601 2.582 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(C)c2)c1C(=O)N1CCCCC1 ZINC000032996450 556611910 /nfs/dbraw/zinc/61/19/10/556611910.db2.gz JLDGJKTXERVSMD-UHFFFAOYSA-N 0 0 446.573 2.873 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cc2c(s1)CCCCC2 ZINC000016492698 556612538 /nfs/dbraw/zinc/61/25/38/556612538.db2.gz NOJARWPKYTWWOY-UHFFFAOYSA-N 0 0 436.555 2.996 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(-n3ncc(C(N)=O)c3CC)cc2)cc1 ZINC000032915868 556613242 /nfs/dbraw/zinc/61/32/42/556613242.db2.gz OPQGRGXDOVKVSQ-UHFFFAOYSA-N 0 0 442.497 2.511 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCCS(=O)(=O)Cc2ccccc2)cc1OCC ZINC000032916432 556615329 /nfs/dbraw/zinc/61/53/29/556615329.db2.gz NXFYZRJTZHPXME-UHFFFAOYSA-N 0 0 441.571 2.767 50 0 IFAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000016589392 556616412 /nfs/dbraw/zinc/61/64/12/556616412.db2.gz ZPBXZCOACHWNET-HSZRJFAPSA-N 0 0 436.556 2.587 50 0 IFAARN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000016594332 556616720 /nfs/dbraw/zinc/61/67/20/556616720.db2.gz HFKNSWOYMXGRSN-FQEVSTJZSA-N 0 0 443.569 2.709 50 0 IFAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000016589393 556616812 /nfs/dbraw/zinc/61/68/12/556616812.db2.gz ZPBXZCOACHWNET-QHCPKHFHSA-N 0 0 436.556 2.587 50 0 IFAARN Cc1nc2n(c(=O)c1C)CN(CCN1CCOCC1)CN2c1cc(Cl)cc(Cl)c1 ZINC000038830214 556621261 /nfs/dbraw/zinc/62/12/61/556621261.db2.gz DRDWTBYNYXIEHJ-UHFFFAOYSA-N 0 0 438.359 2.868 50 0 IFAARN COc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CCc2ccc(OC)c(OC)c2)C3)c1 ZINC000033695937 556622287 /nfs/dbraw/zinc/62/22/87/556622287.db2.gz SALQOPANOZVRMY-JOCHJYFZSA-N 0 0 437.496 2.748 50 0 IFAARN CCNC(=O)N(CCOC)Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1 ZINC000033739066 556627569 /nfs/dbraw/zinc/62/75/69/556627569.db2.gz IKBOPJRSUKYTFG-UHFFFAOYSA-N 0 0 440.493 2.780 50 0 IFAARN Cc1sc2nc(CN3CCN(C(=O)c4ccc(-n5cccn5)cc4)CC3)[nH]c(=O)c2c1C ZINC000016695632 556628806 /nfs/dbraw/zinc/62/88/06/556628806.db2.gz VLKLUWNHQSDBRZ-UHFFFAOYSA-N 0 0 448.552 2.745 50 0 IFAARN CCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)C2=O)cc1 ZINC000100594438 556630098 /nfs/dbraw/zinc/63/00/98/556630098.db2.gz YBUROUGFUOVFDR-LADGPHEKSA-N 0 0 433.552 2.892 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)NN1 ZINC000033762587 556631638 /nfs/dbraw/zinc/63/16/38/556631638.db2.gz RRXSANOWNIKJIX-HTAPYJJXSA-N 0 0 441.871 2.646 50 0 IFAARN Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000097938316 556634252 /nfs/dbraw/zinc/63/42/52/556634252.db2.gz CGAMFZXAJUAWFA-UHFFFAOYSA-N 0 0 448.498 2.897 50 0 IFAARN COCc1nn2c(ncc3c2ccn(NC(=O)c2ccncc2)c3=O)c1-c1ccccc1 ZINC000040396483 556638989 /nfs/dbraw/zinc/63/89/89/556638989.db2.gz YZCSJOACFMJARH-UHFFFAOYSA-N 0 0 426.436 2.637 50 0 IFAARN CCCCN1N=C(c2ccc(F)cc2)Cn2c1nc1c2c(=O)n(CCCC)c(=O)n1C ZINC000005148230 556642531 /nfs/dbraw/zinc/64/25/31/556642531.db2.gz MSCNIMRISKEHDN-UHFFFAOYSA-N 0 0 426.496 2.860 50 0 IFAARN Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1O ZINC000011711692 556643258 /nfs/dbraw/zinc/64/32/58/556643258.db2.gz ODTNDJCWVJPAEC-HNNXBMFYSA-N 0 0 432.498 2.669 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCN(c2ccc(Br)cc2F)C1=O ZINC000037572685 556643282 /nfs/dbraw/zinc/64/32/82/556643282.db2.gz UAVCJAFKATWAKB-CYBMUJFWSA-N 0 0 435.249 2.986 50 0 IFAARN COc1ccc(NC(=O)CSc2nn3c(nnc(C(C)(C)C)c3=O)s2)c(OC)c1 ZINC000016838791 556645586 /nfs/dbraw/zinc/64/55/86/556645586.db2.gz OHRCBKMYNKSSMT-UHFFFAOYSA-N 0 0 435.531 2.592 50 0 IFAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)NC[C@H]2CCCO2)C[C@@H](C)S3)cc1 ZINC000011726681 556647681 /nfs/dbraw/zinc/64/76/81/556647681.db2.gz YPAKBYBSPKASDV-CZUORRHYSA-N 0 0 447.582 2.665 50 0 IFAARN O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)Nc2nccs2)o1 ZINC000011726717 556648010 /nfs/dbraw/zinc/64/80/10/556648010.db2.gz YUQLKGFZXTZJSN-UHFFFAOYSA-N 0 0 439.906 2.606 50 0 IFAARN O=c1c2nnn(Cc3ccccc3Cl)c2ncn1Cc1nc(-c2cccs2)no1 ZINC000038486644 556648562 /nfs/dbraw/zinc/64/85/62/556648562.db2.gz FSOHMDZQCICDFS-UHFFFAOYSA-N 0 0 425.861 2.850 50 0 IFAARN COCCNC(=O)NC(=O)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000011759782 556653840 /nfs/dbraw/zinc/65/38/40/556653840.db2.gz QBVDQLFDROPRLJ-UHFFFAOYSA-N 0 0 436.549 2.935 50 0 IFAARN Cc1sc2nc(C)c(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)n2c1C ZINC000011768981 556654105 /nfs/dbraw/zinc/65/41/05/556654105.db2.gz FKUADJYKAIZNCI-UHFFFAOYSA-N 0 0 446.554 2.718 50 0 IFAARN CCCc1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)cc1 ZINC000011769924 556654182 /nfs/dbraw/zinc/65/41/82/556654182.db2.gz HEZYFDZPBBQDSC-LJQANCHMSA-N 0 0 445.589 2.977 50 0 IFAARN COc1cc(C(=O)OCC(=O)N(C)C[C@@H]2COc3ccccc3O2)ccc1OC(C)C ZINC000011770717 556654507 /nfs/dbraw/zinc/65/45/07/556654507.db2.gz GUUJJYWUBHQUIE-QGZVFWFLSA-N 0 0 429.469 2.938 50 0 IFAARN COc1ccc(-c2nn(CN3CCC(C(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)c(=S)[nH]2)cc1 ZINC000032926839 556655737 /nfs/dbraw/zinc/65/57/37/556655737.db2.gz IRSGOVYBAGZZFB-HOTGVXAUSA-N 0 0 445.589 2.922 50 0 IFAARN COCCCn1c(=O)c2cccnc2nc1SCC(=O)N1CCC(c2ccccc2)=N1 ZINC000032927121 556656017 /nfs/dbraw/zinc/65/60/17/556656017.db2.gz CNJFGRWCMYFOPC-UHFFFAOYSA-N 0 0 437.525 2.557 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1C ZINC000248032626 556657756 /nfs/dbraw/zinc/65/77/56/556657756.db2.gz QRKHBFAMMHEZTB-CGTJXYLNSA-N 0 0 449.573 2.528 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(N3CCCC3)n1C1CC1)CC2 ZINC000011822405 556658393 /nfs/dbraw/zinc/65/83/93/556658393.db2.gz MTQIHHCOZVMTTF-UHFFFAOYSA-N 0 0 443.573 2.907 50 0 IFAARN Cc1nn(C[C@@H](C)C(=O)N2NC(C(F)F)=C[C@@]2(O)C(F)F)c(C)c1Br ZINC000017096283 556659984 /nfs/dbraw/zinc/65/99/84/556659984.db2.gz KWAFYYMDIKJKKI-RWBAJPLHSA-N 0 0 429.212 2.706 50 0 IFAARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000017096579 556660525 /nfs/dbraw/zinc/66/05/25/556660525.db2.gz NKLVHLYEEOWRIQ-UHFFFAOYSA-N 0 0 429.542 2.835 50 0 IFAARN COc1c2c(cc3c1[C@H](C(C(=O)C(F)(F)F)C(=O)C(F)(F)F)N(C)CC3)OCO2 ZINC000100747840 556661790 /nfs/dbraw/zinc/66/17/90/556661790.db2.gz SKNFOVSLASWEPF-LLVKDONJSA-N 0 0 427.297 2.832 50 0 IFAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100759625 556667711 /nfs/dbraw/zinc/66/77/11/556667711.db2.gz PZSBHXCUDDXJAN-QRVBRYPASA-N 0 0 442.313 2.993 50 0 IFAARN CCOC(=O)c1ccc2c(c1)n(C[C@H](O)COc1cccc(C(C)=O)c1)c(=O)n2CC ZINC000046580561 556668439 /nfs/dbraw/zinc/66/84/39/556668439.db2.gz IYWCIODMDPUMFT-SFHVURJKSA-N 0 0 426.469 2.642 50 0 IFAARN CC(C)CNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl ZINC000017128455 556668814 /nfs/dbraw/zinc/66/88/14/556668814.db2.gz SOUCBWXIKQTPLN-UHFFFAOYSA-N 0 0 444.962 2.930 50 0 IFAARN COCCN(C)C(=C(Cl)Cl)C(=C1NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-] ZINC000100788678 556670388 /nfs/dbraw/zinc/67/03/88/556670388.db2.gz QHCROXTZWWIPRP-JQIJEIRASA-N 0 0 436.727 2.811 50 0 IFAARN Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)N1CCCc2ccccc21 ZINC000011904772 556670599 /nfs/dbraw/zinc/67/05/99/556670599.db2.gz RYRXVPSJTPHLKM-UHFFFAOYSA-N 0 0 434.539 2.511 50 0 IFAARN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000011986776 556678215 /nfs/dbraw/zinc/67/82/15/556678215.db2.gz NYQSEWDLGZNNFJ-UHFFFAOYSA-N 0 0 429.951 2.852 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccccc1SC[C@]1(C)NC(=O)NC1=O ZINC000248289625 556678348 /nfs/dbraw/zinc/67/83/48/556678348.db2.gz JRRREXFUOOYERK-KIMHZCHSSA-N 0 0 447.557 2.713 50 0 IFAARN O=C1CN(C2CCCCC2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 ZINC000012000223 556679948 /nfs/dbraw/zinc/67/99/48/556679948.db2.gz HRWHBUXJMLSVBR-IAGOWNOFSA-N 0 0 427.364 2.596 50 0 IFAARN CCOc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCCC2)cc1 ZINC000011999591 556679973 /nfs/dbraw/zinc/67/99/73/556679973.db2.gz ZIHPQXYMCLQXHK-HXUWFJFHSA-N 0 0 432.542 2.972 50 0 IFAARN CN1N=C(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)CCC1=O ZINC000012003653 556680250 /nfs/dbraw/zinc/68/02/50/556680250.db2.gz KUOFUPGOEMGCCB-UHFFFAOYSA-N 0 0 440.266 2.961 50 0 IFAARN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1C ZINC000033021052 556685409 /nfs/dbraw/zinc/68/54/09/556685409.db2.gz ZAKCETIDKQUFGN-INIZCTEOSA-N 0 0 443.525 2.674 50 0 IFAARN Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021329 556685743 /nfs/dbraw/zinc/68/57/43/556685743.db2.gz UGOIYKQYROUARN-AWEZNQCLSA-N 0 0 447.488 2.504 50 0 IFAARN Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(C)c1 ZINC000011115632 556686139 /nfs/dbraw/zinc/68/61/39/556686139.db2.gz YPBWXQQEWPCEME-UHFFFAOYSA-N 0 0 427.570 2.737 50 0 IFAARN COc1ccc(CNC(=O)C[C@H](C)Cc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000046005561 556689565 /nfs/dbraw/zinc/68/95/65/556689565.db2.gz JDEHJBXSJBMZMA-MRXNPFEDSA-N 0 0 449.486 2.913 50 0 IFAARN COc1cccc(CNC(=O)C[C@@H](C)Cc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)c1 ZINC000046005626 556689897 /nfs/dbraw/zinc/68/98/97/556689897.db2.gz WBASTSKBQVFDTB-INIZCTEOSA-N 0 0 449.486 2.913 50 0 IFAARN COC(=O)c1nc(NC(=O)C[C@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1C(C)C ZINC000252536908 556691949 /nfs/dbraw/zinc/69/19/49/556691949.db2.gz JUDGDWZNWVBLMO-CYBMUJFWSA-N 0 0 430.486 2.707 50 0 IFAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)nnn4C(C)C)C2)o1 ZINC000033023487 556693301 /nfs/dbraw/zinc/69/33/01/556693301.db2.gz QKZWPAULYCKTKN-MRXNPFEDSA-N 0 0 445.545 2.631 50 0 IFAARN CCCCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033024482 556695601 /nfs/dbraw/zinc/69/56/01/556695601.db2.gz PDCWZTBKKUPTFA-UHFFFAOYSA-N 0 0 433.509 2.698 50 0 IFAARN CCOC(CNC(=O)c1ccc(CNC(=O)c2ccc(OC)c(OC)c2)cc1)OCC ZINC000013544485 556696453 /nfs/dbraw/zinc/69/64/53/556696453.db2.gz ONUBDKAUFQCJJD-UHFFFAOYSA-N 0 0 430.501 2.763 50 0 IFAARN Cc1c(C)c2c(OCC(=O)NCCc3c[nH]cn3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000013551532 556696953 /nfs/dbraw/zinc/69/69/53/556696953.db2.gz UOHKIMAQKVKAEP-UHFFFAOYSA-N 0 0 425.485 2.974 50 0 IFAARN O=C(CNC(=S)N(CCCN1CCOCC1)Cc1cccs1)NC1CCCCC1 ZINC000013573172 556699074 /nfs/dbraw/zinc/69/90/74/556699074.db2.gz LHQSRKJBFDHOEA-UHFFFAOYSA-N 0 0 438.663 2.596 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000048523221 556700238 /nfs/dbraw/zinc/70/02/38/556700238.db2.gz XYCPRHWDUCLQFN-UXHICEINSA-N 0 0 444.553 2.935 50 0 IFAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccc(OC)cc2)C1 ZINC000072314588 556702819 /nfs/dbraw/zinc/70/28/19/556702819.db2.gz GRQHWEBVMRUGHQ-IBGZPJMESA-N 0 0 437.543 2.568 50 0 IFAARN CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCCCC3)c(C)s2)no1 ZINC000033026848 556704174 /nfs/dbraw/zinc/70/41/74/556704174.db2.gz VPWYDVJJBCDLHT-UHFFFAOYSA-N 0 0 426.564 2.786 50 0 IFAARN NC(=O)C1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)CC1 ZINC000033028053 556708360 /nfs/dbraw/zinc/70/83/60/556708360.db2.gz PSMVQNJISWMHJK-JOCHJYFZSA-N 0 0 448.523 2.729 50 0 IFAARN COc1cccc(C(=O)OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)c1OC ZINC000011130028 556710720 /nfs/dbraw/zinc/71/07/20/556710720.db2.gz OKLFPRLPVXGJKA-OAHLLOKOSA-N 0 0 435.498 2.521 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)N(Cc2cccnc2)c2nc3ccccc3s2)CC1 ZINC000013705220 556713762 /nfs/dbraw/zinc/71/37/62/556713762.db2.gz HNRRQAITSLHVNO-UHFFFAOYSA-N 0 0 430.555 2.896 50 0 IFAARN CN1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)C[C@H]1c1ccccc1 ZINC000019226995 556716973 /nfs/dbraw/zinc/71/69/73/556716973.db2.gz MRQHCGLANKKNFM-QHCPKHFHSA-N 0 0 444.495 2.963 50 0 IFAARN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2N2CCCN12 ZINC000138560837 556719058 /nfs/dbraw/zinc/71/90/58/556719058.db2.gz PMSDETNOPBQOLI-IPMKNSEASA-N 0 0 442.313 2.993 50 0 IFAARN CC(=O)CCS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)CCC(C)=O)cc2)cc1 ZINC000000859543 556722923 /nfs/dbraw/zinc/72/29/23/556722923.db2.gz BJNNJLNGLSFXNJ-UHFFFAOYSA-N 0 0 438.523 2.985 50 0 IFAARN COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)c1 ZINC000033037882 556723597 /nfs/dbraw/zinc/72/35/97/556723597.db2.gz PHDIWHOLYVYXJB-UHFFFAOYSA-N 0 0 449.511 2.912 50 0 IFAARN CC(C)(C)c1csc(CCNC(=O)CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)n1 ZINC000072326272 556724444 /nfs/dbraw/zinc/72/44/44/556724444.db2.gz NSDMROYBYBLHGZ-KRWDZBQOSA-N 0 0 440.569 2.751 50 0 IFAARN CC(C)n1c2nn(S(=O)(=O)c3ccc(F)c(Cl)c3)cc2c(=O)n(C(C)C)c1=O ZINC000033038402 556725257 /nfs/dbraw/zinc/72/52/57/556725257.db2.gz GFJCBGCCIGZPMW-UHFFFAOYSA-N 0 0 428.873 2.551 50 0 IFAARN CN(C(=O)COC(=O)COc1ccc(I)cc1)c1ccccc1 ZINC000072331001 556728707 /nfs/dbraw/zinc/72/87/07/556728707.db2.gz QOQNDWDETQPHDA-UHFFFAOYSA-N 0 0 425.222 2.876 50 0 IFAARN CCOc1ccccc1Nc1nc(N)nc(CN2CCN(c3cccc(OC)c3)CC2)n1 ZINC000054274362 556729749 /nfs/dbraw/zinc/72/97/49/556729749.db2.gz RKORLMWGGQJVFU-UHFFFAOYSA-N 0 0 435.532 2.927 50 0 IFAARN O=C(c1csnn1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055042105 556732365 /nfs/dbraw/zinc/73/23/65/556732365.db2.gz CSNQLPRZLQONKP-MRXNPFEDSA-N 0 0 425.480 2.984 50 0 IFAARN CCOC(=O)CSc1nnc(NC(=O)CCN2C(=O)CSc3ccccc32)s1 ZINC000019295257 556734530 /nfs/dbraw/zinc/73/45/30/556734530.db2.gz PSCOQNCAJYWGJR-UHFFFAOYSA-N 0 0 438.556 2.661 50 0 IFAARN CCn1c2ccccc2nc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000010652094 556736200 /nfs/dbraw/zinc/73/62/00/556736200.db2.gz KBYYJNVRCNHUTE-OAHLLOKOSA-N 0 0 431.518 2.700 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)N(C[C@@H]2CCCO2)c2nc3c(cccc3F)s2)CC1 ZINC000013789176 556737334 /nfs/dbraw/zinc/73/73/34/556737334.db2.gz YDRJNHVRWCGHOR-AWEZNQCLSA-N 0 0 441.550 2.619 50 0 IFAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)cc1 ZINC000078985042 556737410 /nfs/dbraw/zinc/73/74/10/556737410.db2.gz BPIDWRKLBUXXAI-QFIPXVFZSA-N 0 0 440.519 2.700 50 0 IFAARN CNS(=O)(=O)c1ccc(CN(Cc2cccnc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000055198781 556737530 /nfs/dbraw/zinc/73/75/30/556737530.db2.gz MHJMNYRVOWQRGX-UHFFFAOYSA-N 0 0 425.510 2.921 50 0 IFAARN O=C(OCn1nnc2ccccc2c1=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000079183121 556738397 /nfs/dbraw/zinc/73/83/97/556738397.db2.gz KHDIPRASSOBSKM-MSOLQXFVSA-N 0 0 432.480 2.688 50 0 IFAARN O=C(NCCn1ccc2cc(Br)ccc21)c1cc(F)ccc1-n1cnnn1 ZINC000080332916 556739031 /nfs/dbraw/zinc/73/90/31/556739031.db2.gz SXQSOGAONRAIRE-UHFFFAOYSA-N 0 0 429.253 2.949 50 0 IFAARN Cc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3CCCCN3S(C)(=O)=O)nc21 ZINC000013793616 556739484 /nfs/dbraw/zinc/73/94/84/556739484.db2.gz DOZKVQZRQVYHML-HOTGVXAUSA-N 0 0 437.587 2.931 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000019344150 556741748 /nfs/dbraw/zinc/74/17/48/556741748.db2.gz PTOHLXZXVIMRJX-UHFFFAOYSA-N 0 0 439.463 2.929 50 0 IFAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCN4CCOCC4)c3N2)cc1 ZINC000013801518 556742538 /nfs/dbraw/zinc/74/25/38/556742538.db2.gz VASYITXAUZGJNA-ZWKOTPCHSA-N 0 0 437.466 2.914 50 0 IFAARN O=c1ccc(-c2ccco2)nn1CCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000013799803 556742800 /nfs/dbraw/zinc/74/28/00/556742800.db2.gz MFOOVLMTQIGNCF-UHFFFAOYSA-N 0 0 443.403 2.771 50 0 IFAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000013802091 556743467 /nfs/dbraw/zinc/74/34/67/556743467.db2.gz WEKCKYBBWNERRO-HNNXBMFYSA-N 0 0 439.443 2.752 50 0 IFAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000013802087 556743482 /nfs/dbraw/zinc/74/34/82/556743482.db2.gz WEKCKYBBWNERRO-OAHLLOKOSA-N 0 0 439.443 2.752 50 0 IFAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000033047798 556743557 /nfs/dbraw/zinc/74/35/57/556743557.db2.gz IZNSMRYXGVCPIE-LBPRGKRZSA-N 0 0 439.433 2.556 50 0 IFAARN CC(C)Cn1c(SCC(=O)N[C@@H]2CCOc3ccccc32)nnc1N1CCOCC1 ZINC000019353603 556744940 /nfs/dbraw/zinc/74/49/40/556744940.db2.gz SIMCGFTUCOEXEC-QGZVFWFLSA-N 0 0 431.562 2.503 50 0 IFAARN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000019372257 556748612 /nfs/dbraw/zinc/74/86/12/556748612.db2.gz AADDNCUWOUKCJB-UHFFFAOYSA-N 0 0 432.524 2.599 50 0 IFAARN CSCC[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1nnc2ccccn21 ZINC000206229622 556748761 /nfs/dbraw/zinc/74/87/61/556748761.db2.gz KLVHARQYJQNEIV-QGZVFWFLSA-N 0 0 436.541 2.899 50 0 IFAARN O=C(NC[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1)Nc1cccc(F)c1 ZINC000060369350 556749121 /nfs/dbraw/zinc/74/91/21/556749121.db2.gz PQPRQFBKFDUROV-SJLPKXTDSA-N 0 0 430.524 2.834 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc(-c4ccncc4)cs3)C2=O)cc1 ZINC000206241723 556749522 /nfs/dbraw/zinc/74/95/22/556749522.db2.gz GVSCGSQGMMFHHY-MRXNPFEDSA-N 0 0 437.481 2.663 50 0 IFAARN COc1ccc(NC(=O)CC[C@H]2NC(=O)N(Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000206252914 556749734 /nfs/dbraw/zinc/74/97/34/556749734.db2.gz GJZWVEWTQDJBEB-QGZVFWFLSA-N 0 0 427.457 2.552 50 0 IFAARN Cc1oc(C(=O)NCCOc2cccc3c2OC(C)(C)C3)cc1S(=O)(=O)N1CCCC1 ZINC000057995194 556751589 /nfs/dbraw/zinc/75/15/89/556751589.db2.gz WQQDNJUFGABWNO-UHFFFAOYSA-N 0 0 448.541 2.895 50 0 IFAARN Cc1oc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000057997428 556751804 /nfs/dbraw/zinc/75/18/04/556751804.db2.gz QCVPBEGRGUBFLK-KRWDZBQOSA-N 0 0 447.513 2.742 50 0 IFAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCCN(c3nccs3)CC1)C2=O ZINC000058008827 556752949 /nfs/dbraw/zinc/75/29/49/556752949.db2.gz XUTRSMZZRUHTOA-UHFFFAOYSA-N 0 0 447.605 2.709 50 0 IFAARN COc1ccccc1S(=O)(=O)N(Cc1ccc2c(c1)CCO2)C1CCN(C(C)=O)CC1 ZINC000058051421 556755399 /nfs/dbraw/zinc/75/53/99/556755399.db2.gz YGMQTAUNFRABLI-UHFFFAOYSA-N 0 0 444.553 2.832 50 0 IFAARN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)CC(F)(F)F)n2)cc1OC ZINC000058049068 556755431 /nfs/dbraw/zinc/75/54/31/556755431.db2.gz QGXREPWSZWQBDQ-UHFFFAOYSA-N 0 0 425.367 2.541 50 0 IFAARN CCS(=O)(=O)N1CCC(C(=O)OCc2cc(=O)oc3cc(C)c(Cl)cc23)CC1 ZINC000019427428 556755586 /nfs/dbraw/zinc/75/55/86/556755586.db2.gz HBLOLYFFSAZGOO-UHFFFAOYSA-N 0 0 427.906 2.860 50 0 IFAARN CSc1nnnn1-c1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000058077530 556756393 /nfs/dbraw/zinc/75/63/93/556756393.db2.gz NHAJBLJFEOSUDL-UHFFFAOYSA-N 0 0 437.529 2.811 50 0 IFAARN CC(C)C[C@@H](C(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000058109741 556758949 /nfs/dbraw/zinc/75/89/49/556758949.db2.gz IXDAFRZVLHQOBE-FPOVZHCZSA-N 0 0 449.507 2.580 50 0 IFAARN Cc1ccc([C@@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)N2CCN(c3ccccc3)CC2)o1 ZINC000058145683 556761666 /nfs/dbraw/zinc/76/16/66/556761666.db2.gz UTCNWUDRAUXYBX-NRFANRHFSA-N 0 0 437.544 2.588 50 0 IFAARN COCCn1nc(C(=O)N2CCC(c3nc(-c4ccc(F)c(F)c4)c[nH]3)CC2)ccc1=O ZINC000058148208 556761977 /nfs/dbraw/zinc/76/19/77/556761977.db2.gz HVKMOJVGVOCCNS-UHFFFAOYSA-N 0 0 443.454 2.578 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)Cn2nc(-c3ccco3)ccc2=O)c(=O)n(-c2ccccc2)n1C ZINC000061984054 556763138 /nfs/dbraw/zinc/76/31/38/556763138.db2.gz BDGGQFVJUWNLSO-HNNXBMFYSA-N 0 0 433.468 2.576 50 0 IFAARN CCOC(=O)c1cc2cc(NC(=O)NCCCn3nc4n(c3=O)CCCC4)ccc2s1 ZINC000058158757 556763459 /nfs/dbraw/zinc/76/34/59/556763459.db2.gz MLDFCNJOPJISFN-UHFFFAOYSA-N 0 0 443.529 2.984 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)[C@@H](C)Cn2nc(-c3cccs3)ccc2=O)n1 ZINC000061984108 556763452 /nfs/dbraw/zinc/76/34/52/556763452.db2.gz JYPFJJBUXRBYBF-LBPRGKRZSA-N 0 0 432.527 2.809 50 0 IFAARN CCc1ccc(N2CCC(NC(=O)NCCS(=O)(=O)Nc3ccccc3)CC2)cc1 ZINC000058159755 556764155 /nfs/dbraw/zinc/76/41/55/556764155.db2.gz KTYYODIODWGSFF-UHFFFAOYSA-N 0 0 430.574 2.959 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1nnc(CCc2ccccc2)s1 ZINC000062001393 556764436 /nfs/dbraw/zinc/76/44/36/556764436.db2.gz BGHGFEDFFONNAD-MPGHIAIKSA-N 0 0 431.587 2.988 50 0 IFAARN Cc1c(-c2ccccc2)sc2ncnc(N3CCN(CC(=O)N4CCOCC4)CC3)c12 ZINC000058160495 556764470 /nfs/dbraw/zinc/76/44/70/556764470.db2.gz GDCMFXPNFYWKGF-UHFFFAOYSA-N 0 0 437.569 2.648 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 ZINC000058161479 556765192 /nfs/dbraw/zinc/76/51/92/556765192.db2.gz HRQRCWSIOSPSKW-IBGZPJMESA-N 0 0 425.489 2.562 50 0 IFAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N[C@@H](C)CN4CCOCC4)c3n2)cc1 ZINC000019456341 556765973 /nfs/dbraw/zinc/76/59/73/556765973.db2.gz XPOOYMSVUQUEOF-AWEZNQCLSA-N 0 0 445.470 2.793 50 0 IFAARN CCOc1ccc(NC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)cc1OCC ZINC000005342347 556766928 /nfs/dbraw/zinc/76/69/28/556766928.db2.gz OLOQRFUCCWGTCH-SFHVURJKSA-N 0 0 425.485 2.976 50 0 IFAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)NCc3ccc(-n4cncn4)nc3)c2)c1C ZINC000058167182 556767035 /nfs/dbraw/zinc/76/70/35/556767035.db2.gz GYYGMMWEBVDVGD-UHFFFAOYSA-N 0 0 446.471 2.655 50 0 IFAARN CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@@H](c3c(F)cccc3Cl)N(C)C)ccc21 ZINC000058170334 556768000 /nfs/dbraw/zinc/76/80/00/556768000.db2.gz BTPLMGXJZZYTJY-KRWDZBQOSA-N 0 0 432.883 2.535 50 0 IFAARN O=C(Cc1ccc(-n2cccn2)cc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000058179777 556770067 /nfs/dbraw/zinc/77/00/67/556770067.db2.gz OALHBQGAUFVEEV-UHFFFAOYSA-N 0 0 442.516 2.523 50 0 IFAARN CCC(CC)CN(CC(=O)OC)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000058209048 556771711 /nfs/dbraw/zinc/77/17/11/556771711.db2.gz MCCYYAFPHBMJOC-XMMPIXPASA-N 0 0 443.544 2.813 50 0 IFAARN O=C(C[S@@](=O)Cc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccco2)CC1 ZINC000058215654 556772519 /nfs/dbraw/zinc/77/25/19/556772519.db2.gz OBQSYMZYHLSUJV-HHHXNRCGSA-N 0 0 429.325 2.820 50 0 IFAARN O=C(NCc1cc(Br)ccc1F)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000058283375 556777524 /nfs/dbraw/zinc/77/75/24/556777524.db2.gz AOHLRMDZDKLNFX-WBVHZDCISA-N 0 0 439.256 2.619 50 0 IFAARN NC(=O)c1ccn(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)n1 ZINC000058310116 556779545 /nfs/dbraw/zinc/77/95/45/556779545.db2.gz OBMXBJUJVCIYMO-MRXNPFEDSA-N 0 0 432.484 2.854 50 0 IFAARN Cc1ccnc(NC(=O)CN(C)C(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 ZINC000058324872 556781091 /nfs/dbraw/zinc/78/10/91/556781091.db2.gz XKWBBONGICLATI-UHFFFAOYSA-N 0 0 427.482 2.668 50 0 IFAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)C3CCN(C(=O)c4cccnc4)CC3)c2)n1 ZINC000058357637 556782963 /nfs/dbraw/zinc/78/29/63/556782963.db2.gz AAUJHBMTHNITLT-UHFFFAOYSA-N 0 0 447.495 2.935 50 0 IFAARN O=c1ccc(-c2ccc3c(c2)OCCCO3)nn1CCCS(=O)(=O)c1ccccc1 ZINC000058380441 556784365 /nfs/dbraw/zinc/78/43/65/556784365.db2.gz DMDIBIFNCZCQGP-UHFFFAOYSA-N 0 0 426.494 2.936 50 0 IFAARN CCC(=O)c1ccc(OCC(=O)N(c2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000058391655 556784851 /nfs/dbraw/zinc/78/48/51/556784851.db2.gz BHMRNVHJYRDJOK-GOSISDBHSA-N 0 0 431.510 2.887 50 0 IFAARN CCOc1ccc(-c2nc(C)c(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)s2)cc1 ZINC000058735990 556791494 /nfs/dbraw/zinc/79/14/94/556791494.db2.gz RNCUXBDRRULCIO-GOSISDBHSA-N 0 0 429.542 2.981 50 0 IFAARN CCN(CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1C ZINC000058932368 556792964 /nfs/dbraw/zinc/79/29/64/556792964.db2.gz MCMQROORYQHURG-UHFFFAOYSA-N 0 0 430.979 2.857 50 0 IFAARN COc1ccccc1N1CCN([C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 ZINC000019536925 556794355 /nfs/dbraw/zinc/79/43/55/556794355.db2.gz HIBKDYUUKIDCLO-SFHVURJKSA-N 0 0 444.329 2.912 50 0 IFAARN COc1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1O ZINC000019549434 556794403 /nfs/dbraw/zinc/79/44/03/556794403.db2.gz CNQVEYGVKCTFAV-UHFFFAOYSA-N 0 0 426.922 2.569 50 0 IFAARN COc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1OC ZINC000019552856 556796819 /nfs/dbraw/zinc/79/68/19/556796819.db2.gz RWGGYJNQHCCMKJ-UHFFFAOYSA-N 0 0 440.949 2.872 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H]3Cc4ccccc4S3)CC2)cc1 ZINC000011192866 556796901 /nfs/dbraw/zinc/79/69/01/556796901.db2.gz OSCGUEGCZVOBJW-HXUWFJFHSA-N 0 0 432.567 2.682 50 0 IFAARN COC(=O)CN(Cc1ccccc1Cl)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000059327027 556797964 /nfs/dbraw/zinc/79/79/64/556797964.db2.gz RFBBEZDPJDUQEI-IBGZPJMESA-N 0 0 428.916 2.933 50 0 IFAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(-n3nc(C)cc3C)nn2)C1 ZINC000062164004 556798045 /nfs/dbraw/zinc/79/80/45/556798045.db2.gz UBJGKSGDCQIBOY-QGZVFWFLSA-N 0 0 434.500 2.921 50 0 IFAARN Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)NCc4nc5ccccc5[nH]4)C3)nn2)n1 ZINC000062164333 556798107 /nfs/dbraw/zinc/79/81/07/556798107.db2.gz XWHZEGQEDYYDCS-KRWDZBQOSA-N 0 0 430.516 2.688 50 0 IFAARN Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)NCc4nc5ccccc5[nH]4)C3)nn2)n1 ZINC000062164335 556798126 /nfs/dbraw/zinc/79/81/26/556798126.db2.gz XWHZEGQEDYYDCS-QGZVFWFLSA-N 0 0 430.516 2.688 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)CC2 ZINC000059404237 556799751 /nfs/dbraw/zinc/79/97/51/556799751.db2.gz OGBQWAAKDZHPFC-UHFFFAOYSA-N 0 0 433.549 2.578 50 0 IFAARN CCOC(=O)C[C@@H](c1cccc(OCc2ccccn2)c1)c1oc(CO)cc(=O)c1O ZINC000072400999 556799816 /nfs/dbraw/zinc/79/98/16/556799816.db2.gz ALYQIMDVNOAMFC-IBGZPJMESA-N 0 0 425.437 2.897 50 0 IFAARN Cn1ccnc1COc1ccc(CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 ZINC000059421055 556800473 /nfs/dbraw/zinc/80/04/73/556800473.db2.gz CHVXTPOVBDWPKC-HSZRJFAPSA-N 0 0 448.523 2.626 50 0 IFAARN CCCN(CCC)S(=O)(=O)N1CCN(CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000059829308 556804738 /nfs/dbraw/zinc/80/47/38/556804738.db2.gz GPXTUCRUTNOYIG-UHFFFAOYSA-N 0 0 449.621 2.962 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000061718943 556810980 /nfs/dbraw/zinc/81/09/80/556810980.db2.gz XJOPWEZHWPXUGQ-VMPITWQZSA-N 0 0 444.535 2.777 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)c1 ZINC000003364083 556811809 /nfs/dbraw/zinc/81/18/09/556811809.db2.gz ZADARIRUIAGTLJ-UHFFFAOYSA-N 0 0 432.542 2.997 50 0 IFAARN COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)[C@@H](C)C[NH+]2CCCCC2)CC4)cc1 ZINC000097942108 556812948 /nfs/dbraw/zinc/81/29/48/556812948.db2.gz SMEHUFNSWWAKGR-KRWDZBQOSA-N 0 0 449.555 2.705 50 0 IFAARN Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)cc1F ZINC000097943473 556813179 /nfs/dbraw/zinc/81/31/79/556813179.db2.gz HNXBISKNAPMJQH-OAQYLSRUSA-N 0 0 449.486 2.595 50 0 IFAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccccc5F)CC4)c3CO2)cc1 ZINC000097943629 556813463 /nfs/dbraw/zinc/81/34/63/556813463.db2.gz MBTAAEZWJRXRME-NRFANRHFSA-N 0 0 449.486 2.595 50 0 IFAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5cccc(C)c5)CC4)c3CO2)cc1 ZINC000097943647 556813497 /nfs/dbraw/zinc/81/34/97/556813497.db2.gz VMNOJAFKFDVLDL-QFIPXVFZSA-N 0 0 445.523 2.765 50 0 IFAARN COc1ccc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1F ZINC000003511272 556817130 /nfs/dbraw/zinc/81/71/30/556817130.db2.gz SDUSNKBMBHNASP-UHFFFAOYSA-N 0 0 443.880 2.866 50 0 IFAARN Cc1ccc(CCNC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1 ZINC000033062954 556818262 /nfs/dbraw/zinc/81/82/62/556818262.db2.gz WMKPXFZUOIYWQH-UHFFFAOYSA-N 0 0 431.489 2.783 50 0 IFAARN CCc1ccc(CNC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1 ZINC000033063002 556818501 /nfs/dbraw/zinc/81/85/01/556818501.db2.gz CZRAHSMIJJSYHM-UHFFFAOYSA-N 0 0 431.489 2.994 50 0 IFAARN O=C(COc1ccc(Cl)cc1Cl)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O ZINC000206637290 556823270 /nfs/dbraw/zinc/82/32/70/556823270.db2.gz NMZAXJKUYSRADO-UHFFFAOYSA-N 0 0 448.310 2.944 50 0 IFAARN COc1ccc(OC)c(NC(=O)N2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)c1 ZINC000064893603 556828679 /nfs/dbraw/zinc/82/86/79/556828679.db2.gz LVXDHYUZZOAGPL-UHFFFAOYSA-N 0 0 427.505 2.654 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC ZINC000019608260 556831350 /nfs/dbraw/zinc/83/13/50/556831350.db2.gz PDKPOMBVORPADQ-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN CC(C)(C)c1cc(NC(=O)CCc2nc(-c3ccco3)no2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000022992767 556832196 /nfs/dbraw/zinc/83/21/96/556832196.db2.gz LEACYEJGCAKCGZ-ZDUSSCGKSA-N 0 0 447.517 2.755 50 0 IFAARN CN(Cc1ccc2nsnc2c1)C(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1 ZINC000065497640 556836368 /nfs/dbraw/zinc/83/63/68/556836368.db2.gz JKYOEGDJEFQINO-UHFFFAOYSA-N 0 0 437.481 2.985 50 0 IFAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3cnn(C)c3C)C1[C@H](c1cnn(C)c1C)O2 ZINC000019640695 556837172 /nfs/dbraw/zinc/83/71/72/556837172.db2.gz AJYGEGYIHBRYLL-VXKWHMMOSA-N 0 0 444.499 2.930 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)c2ccc(Cl)cc2)C(=O)N2CCN(C)CC2)cc1 ZINC000022996898 556839053 /nfs/dbraw/zinc/83/90/53/556839053.db2.gz GEQPYWJNXUYARJ-UHFFFAOYSA-N 0 0 449.960 2.889 50 0 IFAARN C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1cccnc1 ZINC000072405824 556841674 /nfs/dbraw/zinc/84/16/74/556841674.db2.gz SWHAAMWAHGQYOJ-AWEZNQCLSA-N 0 0 436.343 2.925 50 0 IFAARN COc1ccc(-c2cc(C(=O)Nc3ncccc3C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000072405809 556841804 /nfs/dbraw/zinc/84/18/04/556841804.db2.gz BCJVWYYVBTYSMP-MRXNPFEDSA-N 0 0 426.498 2.874 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)n1 ZINC000072406124 556842011 /nfs/dbraw/zinc/84/20/11/556842011.db2.gz XTFQQKJSBAFSRR-UHFFFAOYSA-N 0 0 449.492 2.654 50 0 IFAARN Cc1ccc(OCCN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000008705861 556842680 /nfs/dbraw/zinc/84/26/80/556842680.db2.gz TUTYUGFNANHZRO-UHFFFAOYSA-N 0 0 431.558 2.729 50 0 IFAARN O=C(NCC1(c2ccccc2)CCCCC1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 ZINC000067604812 556844126 /nfs/dbraw/zinc/84/41/26/556844126.db2.gz YOYDBZJSKWNDKP-NRFANRHFSA-N 0 0 427.589 2.576 50 0 IFAARN O=C(CN1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000096888431 556848284 /nfs/dbraw/zinc/84/82/84/556848284.db2.gz DIQMJSQQXIMTLH-LJQANCHMSA-N 0 0 449.429 2.672 50 0 IFAARN C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008851070 556849935 /nfs/dbraw/zinc/84/99/35/556849935.db2.gz XQOWQOFQJZYZKW-LBPRGKRZSA-N 0 0 438.889 2.521 50 0 IFAARN COCCNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C ZINC000008886850 556850740 /nfs/dbraw/zinc/85/07/40/556850740.db2.gz BDLWWTCIAOLVEV-HOCLYGCPSA-N 0 0 432.550 2.656 50 0 IFAARN O=C(CCCc1nc2cccnc2n1Cc1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000033072482 556852280 /nfs/dbraw/zinc/85/22/80/556852280.db2.gz PBFIVDBDSOQUIV-UHFFFAOYSA-N 0 0 441.539 2.941 50 0 IFAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)ccc1OC(C)C ZINC000033088106 556855981 /nfs/dbraw/zinc/85/59/81/556855981.db2.gz KDABYADPSBIIFH-HNNXBMFYSA-N 0 0 433.472 2.888 50 0 IFAARN Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)cn4)CC3)c2)no1 ZINC000033086503 556857297 /nfs/dbraw/zinc/85/72/97/556857297.db2.gz QVVWAAFXHCNZQW-UHFFFAOYSA-N 0 0 441.513 2.788 50 0 IFAARN CCOC(=O)[C@H](C)NC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033113086 556859780 /nfs/dbraw/zinc/85/97/80/556859780.db2.gz GYJBLXWMOXDAGV-STQMWFEESA-N 0 0 449.508 2.770 50 0 IFAARN CCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CC[NH2+]CC1 ZINC000033121100 556862776 /nfs/dbraw/zinc/86/27/76/556862776.db2.gz OYEACNFTHUAZCG-UHFFFAOYSA-N 0 0 436.603 2.831 50 0 IFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3cc(C)ccc3OC)CC2)cc1 ZINC000033122625 556863560 /nfs/dbraw/zinc/86/35/60/556863560.db2.gz AEHDPUCWLQITQU-UHFFFAOYSA-N 0 0 433.530 2.987 50 0 IFAARN COc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000033122667 556863668 /nfs/dbraw/zinc/86/36/68/556863668.db2.gz JVCIOBVMIZDCTE-UHFFFAOYSA-N 0 0 425.457 2.948 50 0 IFAARN Cc1ccc(CNC(=O)N2CCN(Cc3nc4cc(C(=O)N(C)C)ccc4o3)CC2)cc1 ZINC000033127429 556867779 /nfs/dbraw/zinc/86/77/79/556867779.db2.gz REVSNLAHNNSSSE-UHFFFAOYSA-N 0 0 435.528 2.865 50 0 IFAARN COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)cc(OC)cc4c(=O)c3C2)c(OC)c1 ZINC000033129307 556868460 /nfs/dbraw/zinc/86/84/60/556868460.db2.gz ILWSDINXHGTLRF-UHFFFAOYSA-N 0 0 437.496 2.859 50 0 IFAARN COc1ccc(OC)c(CNC(=O)c2snc3c2ncn(Cc2ccccc2)c3=O)c1 ZINC000033129914 556869536 /nfs/dbraw/zinc/86/95/36/556869536.db2.gz SOZXNXHYXUWEHW-UHFFFAOYSA-N 0 0 436.493 2.849 50 0 IFAARN Cc1ccc(C)c(NC(=O)CN2c3cc(S(=O)(=O)N(C)C)sc3SCC2=O)c1 ZINC000033131556 556872220 /nfs/dbraw/zinc/87/22/20/556872220.db2.gz IYTNFVWPYVNODX-UHFFFAOYSA-N 0 0 439.584 2.693 50 0 IFAARN CCCS(=O)(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(OCC)cc2)CC1 ZINC000033139349 556874486 /nfs/dbraw/zinc/87/44/86/556874486.db2.gz OHQONMKLWGGGAB-UHFFFAOYSA-N 0 0 443.573 2.677 50 0 IFAARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000011226437 556875388 /nfs/dbraw/zinc/87/53/88/556875388.db2.gz MQQICCGHLIMXIV-UHFFFAOYSA-N 0 0 429.325 2.944 50 0 IFAARN CCOc1cc(C(=S)N2CCN(C)CC2)ccc1OCC(=O)NCc1ccccc1 ZINC000004681926 556878890 /nfs/dbraw/zinc/87/88/90/556878890.db2.gz HDUJBEGWJJLFFG-UHFFFAOYSA-N 0 0 427.570 2.703 50 0 IFAARN O=C([C@@H]1CC12CCN(C(=O)[C@@H]1CCOC1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019739927 556879377 /nfs/dbraw/zinc/87/93/77/556879377.db2.gz IDEUQARRUFRYKP-TWGGJPRRSA-N 0 0 437.584 2.509 50 0 IFAARN CCOc1cc(-c2nn3c(CN4CCOCC4)nnc3s2)cc(OCC)c1OCC ZINC000071260509 556879448 /nfs/dbraw/zinc/87/94/48/556879448.db2.gz VILZZPCCFXBQBF-UHFFFAOYSA-N 0 0 433.534 2.881 50 0 IFAARN CO[C@@H](C(=O)N1CCc2c(c(C(=O)N(C)C)nn2CCC(F)(F)F)C1)c1ccccc1 ZINC000019740224 556879872 /nfs/dbraw/zinc/87/98/72/556879872.db2.gz GEIVOILRFHOOQS-GOSISDBHSA-N 0 0 438.450 2.810 50 0 IFAARN CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2 ZINC000019741397 556883572 /nfs/dbraw/zinc/88/35/72/556883572.db2.gz CSKHJVDNWQPQBI-BLMOFCDVSA-N 0 0 437.997 2.662 50 0 IFAARN COc1cc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)o2)cc(OC)c1OC ZINC000033169827 556885036 /nfs/dbraw/zinc/88/50/36/556885036.db2.gz OVPRJYCSFNAATO-CQSZACIVSA-N 0 0 438.440 2.868 50 0 IFAARN COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1ccc(OC(C)C)cc1)CC2 ZINC000019744214 556889886 /nfs/dbraw/zinc/88/98/86/556889886.db2.gz MZPFGNFPZDHDIZ-UHFFFAOYSA-N 0 0 439.556 2.938 50 0 IFAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CC(=O)N3CSC[C@@H]3C2=O)cc1 ZINC000033249810 556891126 /nfs/dbraw/zinc/89/11/26/556891126.db2.gz QWFASNOVLWAIME-LJQANCHMSA-N 0 0 443.956 2.556 50 0 IFAARN O=c1cc(CN2CCc3ccccc3C2)nc(N2CCN(Cc3ccc(F)cc3)CC2)[nH]1 ZINC000035926935 556894586 /nfs/dbraw/zinc/89/45/86/556894586.db2.gz SVVCWJRDYGWTKA-UHFFFAOYSA-N 0 0 433.531 2.790 50 0 IFAARN Cc1c(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000033258730 556896586 /nfs/dbraw/zinc/89/65/86/556896586.db2.gz OGAGBCINZUKGPT-UHFFFAOYSA-N 0 0 436.487 2.839 50 0 IFAARN Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)nn2)nc1 ZINC000072139296 556899366 /nfs/dbraw/zinc/89/93/66/556899366.db2.gz JCUACFJUQLMCON-UHFFFAOYSA-N 0 0 446.483 2.713 50 0 IFAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1)c1ccccc1 ZINC000033262220 556900474 /nfs/dbraw/zinc/90/04/74/556900474.db2.gz QWSSDBBJXMBPJP-RDJZCZTQSA-N 0 0 428.514 2.948 50 0 IFAARN CCCCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033263207 556901371 /nfs/dbraw/zinc/90/13/71/556901371.db2.gz FDAHIMUCXXRSBK-ZDUSSCGKSA-N 0 0 433.509 2.698 50 0 IFAARN CC(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000033263414 556901525 /nfs/dbraw/zinc/90/15/25/556901525.db2.gz LMJDAFSFDPRIAX-OAHLLOKOSA-N 0 0 429.546 2.805 50 0 IFAARN O=C(NCc1ccc(C(=O)c2ccco2)s1)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2 ZINC000206680655 556912089 /nfs/dbraw/zinc/91/20/89/556912089.db2.gz VMAHYOOREKZXMQ-UHFFFAOYSA-N 0 0 449.488 2.662 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1 ZINC000019782387 556913718 /nfs/dbraw/zinc/91/37/18/556913718.db2.gz ACVLKVNDZSSLPZ-HXUWFJFHSA-N 0 0 441.915 2.971 50 0 IFAARN COc1ccc(CN2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)c(OC)c1OC ZINC000019789480 556914562 /nfs/dbraw/zinc/91/45/62/556914562.db2.gz OFMJTVUADODLPK-UHFFFAOYSA-N 0 0 432.517 2.753 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000019790073 556914897 /nfs/dbraw/zinc/91/48/97/556914897.db2.gz HROQWAQQGPHDHQ-UHFFFAOYSA-N 0 0 425.348 2.964 50 0 IFAARN CCOC(=O)c1ccc(-n2nnnc2[C@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000019798447 556916729 /nfs/dbraw/zinc/91/67/29/556916729.db2.gz OTOFEJCTKSBMES-IBGZPJMESA-N 0 0 427.892 2.914 50 0 IFAARN COC(=O)Cc1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019815276 556919458 /nfs/dbraw/zinc/91/94/58/556919458.db2.gz AFXAQRWZJOIFGM-UHFFFAOYSA-N 0 0 427.526 2.645 50 0 IFAARN COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N4CCN(C)CC4)c3C3CC3)n2)c1 ZINC000019839619 556929210 /nfs/dbraw/zinc/92/92/10/556929210.db2.gz GEJQBOYZVVZYCO-UHFFFAOYSA-N 0 0 448.527 2.612 50 0 IFAARN COC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1 ZINC000019863379 556934135 /nfs/dbraw/zinc/93/41/35/556934135.db2.gz WGAPBHJSAAOQDM-KRWDZBQOSA-N 0 0 434.489 2.793 50 0 IFAARN O=S(=O)(c1ccc(I)cc1)N1CCN=C1Cc1ccccc1 ZINC000019874785 556935824 /nfs/dbraw/zinc/93/58/24/556935824.db2.gz JURLYABFCZKBPY-UHFFFAOYSA-N 0 0 426.279 2.937 50 0 IFAARN CCCCOc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1OC ZINC000019879842 556936914 /nfs/dbraw/zinc/93/69/14/556936914.db2.gz NTUBEWDNTCKJHD-XMHGGMMESA-N 0 0 435.505 2.913 50 0 IFAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000019880899 556937085 /nfs/dbraw/zinc/93/70/85/556937085.db2.gz GVINMWYBWOGXFB-LEWJYISDSA-N 0 0 436.512 2.776 50 0 IFAARN O=C(/C=C/c1ccco1)N1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000019901675 556942008 /nfs/dbraw/zinc/94/20/08/556942008.db2.gz MTIRFOKLWNTEMU-MDZDMXLPSA-N 0 0 429.476 2.886 50 0 IFAARN CN1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000019905119 556942278 /nfs/dbraw/zinc/94/22/78/556942278.db2.gz PZDRBSKLFGVVSZ-UHFFFAOYSA-N 0 0 441.475 2.675 50 0 IFAARN COc1cc(OC)c(OC)cc1CN1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000019904716 556942358 /nfs/dbraw/zinc/94/23/58/556942358.db2.gz QAUNXSDUGAESAF-UHFFFAOYSA-N 0 0 432.517 2.753 50 0 IFAARN O=c1oc2cc(OC[C@@H](O)CN3CCN(c4ccccc4F)CC3)ccc2c2c1CCC2 ZINC000019909135 556942772 /nfs/dbraw/zinc/94/27/72/556942772.db2.gz PDWYZDJRFIDGNP-KRWDZBQOSA-N 0 0 438.499 2.983 50 0 IFAARN Cc1cccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1C ZINC000019929037 556947131 /nfs/dbraw/zinc/94/71/31/556947131.db2.gz PRELODSOTTXPPV-XYOKQWHBSA-N 0 0 441.597 2.927 50 0 IFAARN O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)NCCCN1CCOCC1 ZINC000019938229 556952282 /nfs/dbraw/zinc/95/22/82/556952282.db2.gz SXUMOBNLHAUBPC-XMMPIXPASA-N 0 0 432.524 2.552 50 0 IFAARN Cc1ccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)cc1C ZINC000019939251 556953073 /nfs/dbraw/zinc/95/30/73/556953073.db2.gz YOHFUCVCFMFIQK-UHFFFAOYSA-N 0 0 444.539 2.835 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCc3csc(-c4ccncc4)n3)ccc21 ZINC000019942577 556953516 /nfs/dbraw/zinc/95/35/16/556953516.db2.gz AQUOTULWSXXUHJ-UHFFFAOYSA-N 0 0 428.539 2.635 50 0 IFAARN O=C(NCCc1csc(-c2ccccn2)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000019942312 556953655 /nfs/dbraw/zinc/95/36/55/556953655.db2.gz VABXPJNMPQZTFN-UHFFFAOYSA-N 0 0 442.566 2.962 50 0 IFAARN O=C1CCCN1c1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1 ZINC000019942465 556953661 /nfs/dbraw/zinc/95/36/61/556953661.db2.gz ITZJTVPTVPCBFV-UHFFFAOYSA-N 0 0 428.539 2.853 50 0 IFAARN Cc1ccc(C)c(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000019943728 556953759 /nfs/dbraw/zinc/95/37/59/556953759.db2.gz DGVHUOVMOXVAIR-JXMROGBWSA-N 0 0 441.597 2.927 50 0 IFAARN Cc1cc(OC[C@H](O)Cn2c3ccccc3n(CCN3CCOCC3)c2=N)ccc1Cl ZINC000019943259 556953884 /nfs/dbraw/zinc/95/38/84/556953884.db2.gz FHEPDTBKOVBZSN-GOSISDBHSA-N 0 0 444.963 2.656 50 0 IFAARN Cc1cnc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)s1 ZINC000020030570 556968660 /nfs/dbraw/zinc/96/86/60/556968660.db2.gz RDYFSTYYYZSYEV-UHFFFAOYSA-N 0 0 430.559 2.595 50 0 IFAARN CN1CCN(c2cc(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)ncn2)CC1 ZINC000072442538 556973311 /nfs/dbraw/zinc/97/33/11/556973311.db2.gz HCMHRBXDHHPWOB-UHFFFAOYSA-N 0 0 442.567 2.858 50 0 IFAARN O=c1ccc(N2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nn1-c1ccccc1 ZINC000033264830 556974905 /nfs/dbraw/zinc/97/49/05/556974905.db2.gz XAJXWJDCJUEDMX-UHFFFAOYSA-N 0 0 444.944 2.787 50 0 IFAARN Cc1ccc(CNC(=O)CSc2nc3cn(C)nc3c(=O)n2Cc2ccccc2)cc1 ZINC000033265284 556975286 /nfs/dbraw/zinc/97/52/86/556975286.db2.gz UUACJCLNPAFUTM-UHFFFAOYSA-N 0 0 433.537 2.895 50 0 IFAARN Cn1cc2nc(SCC(=O)NC3CCCCC3)n(Cc3ccc(F)cc3)c(=O)c2n1 ZINC000033265318 556975697 /nfs/dbraw/zinc/97/56/97/556975697.db2.gz XOHLBVVNEGBQKF-UHFFFAOYSA-N 0 0 429.521 2.858 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(c1ccc(C)cc1)[C@@](C)(C(=O)NCc1ccccc1)C2 ZINC000033265941 556976592 /nfs/dbraw/zinc/97/65/92/556976592.db2.gz HEHJHJZKXXXNBI-XMMPIXPASA-N 0 0 432.480 2.714 50 0 IFAARN CC[C@@]1(C)Cc2c(sc3nnn(CC(=O)Nc4ccc(C(C)=O)cc4)c(=O)c32)CO1 ZINC000020100277 556980022 /nfs/dbraw/zinc/98/00/22/556980022.db2.gz MOSZJAVPHSWNFL-NRFANRHFSA-N 0 0 426.498 2.936 50 0 IFAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccccn4)C3)ccc21 ZINC000033267280 556981800 /nfs/dbraw/zinc/98/18/00/556981800.db2.gz HDCGBMAMTWSVTA-SFHVURJKSA-N 0 0 426.542 2.773 50 0 IFAARN CC(C)c1nnc(-c2cccnc2N2CCN(S(=O)(=O)Cc3ccccc3)CC2)o1 ZINC000097096114 556984137 /nfs/dbraw/zinc/98/41/37/556984137.db2.gz IZDBPGISDYIOHY-UHFFFAOYSA-N 0 0 427.530 2.907 50 0 IFAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@]2(C1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000097096654 556984360 /nfs/dbraw/zinc/98/43/60/556984360.db2.gz CEFMIIVSUFCCHP-JOCHJYFZSA-N 0 0 441.871 2.796 50 0 IFAARN CCOC(=O)C[C@@H]1COCCN1Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000020149120 556990695 /nfs/dbraw/zinc/99/06/95/556990695.db2.gz NDWUVMBPBUDIPN-QGZVFWFLSA-N 0 0 448.589 2.956 50 0 IFAARN Cc1ccsc1C(=O)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000097139665 556992091 /nfs/dbraw/zinc/99/20/91/556992091.db2.gz OVRRZSCLGYSTEO-GOSISDBHSA-N 0 0 437.525 2.518 50 0 IFAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000020213160 556998987 /nfs/dbraw/zinc/99/89/87/556998987.db2.gz VEVQWUDXIHWKBQ-UHFFFAOYSA-N 0 0 449.507 2.840 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCN(c4ccc(C)cc4C)CC3)cc2n(CC)c1=O ZINC000020214974 556999288 /nfs/dbraw/zinc/99/92/88/556999288.db2.gz RNKGSSAQYOXWPG-UHFFFAOYSA-N 0 0 442.585 2.971 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000010678667 556999600 /nfs/dbraw/zinc/99/96/00/556999600.db2.gz FZQPVOFJYGDDRJ-UHFFFAOYSA-N 0 0 429.372 2.784 50 0 IFAARN O=S(=O)(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1)c1cccs1 ZINC000010680308 557000666 /nfs/dbraw/zinc/00/06/66/557000666.db2.gz ZXXHIFQRLQVMSY-UHFFFAOYSA-N 0 0 438.955 2.672 50 0 IFAARN O=C(NCC1(c2ccccc2)CCCCC1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000020272541 557004935 /nfs/dbraw/zinc/00/49/35/557004935.db2.gz SESMMODEEUXTID-JOCHJYFZSA-N 0 0 441.616 2.966 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3ccccc3F)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020283530 557005323 /nfs/dbraw/zinc/00/53/23/557005323.db2.gz RLDDOENZNMXSGH-QFIPXVFZSA-N 0 0 438.503 2.819 50 0 IFAARN O=C(NCc1ccco1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000023126495 557008187 /nfs/dbraw/zinc/00/81/87/557008187.db2.gz RHIKFTYYPXOVLV-UHFFFAOYSA-N 0 0 431.539 2.782 50 0 IFAARN Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)n(-c3ccccc3)c2n1 ZINC000020353560 557009506 /nfs/dbraw/zinc/00/95/06/557009506.db2.gz PBCGHVHXTYURTQ-UHFFFAOYSA-N 0 0 444.447 2.532 50 0 IFAARN COc1cc(NC2CCN(CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc(OC)c1 ZINC000079025639 557010922 /nfs/dbraw/zinc/01/09/22/557010922.db2.gz OHIRDJRIRPLWGE-IIBYNOLFSA-N 0 0 432.565 2.985 50 0 IFAARN C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000096983419 557011215 /nfs/dbraw/zinc/01/12/15/557011215.db2.gz CUTDHMODIKMTHS-HNNXBMFYSA-N 0 0 430.555 2.630 50 0 IFAARN O=C(NCCN1CCOCC1)[C@H](NC(=O)C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000020389986 557012502 /nfs/dbraw/zinc/01/25/02/557012502.db2.gz DZFPLIIZILEVQH-LFCNWEHWSA-N 0 0 431.621 2.716 50 0 IFAARN O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000020393615 557013107 /nfs/dbraw/zinc/01/31/07/557013107.db2.gz ZPUIQBHQSAJUFT-RQXXJAGISA-N 0 0 425.847 2.910 50 0 IFAARN CN1CCN(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc4c(c3)CCCC4)C2=O)CC1 ZINC000020414353 557014500 /nfs/dbraw/zinc/01/45/00/557014500.db2.gz TXIHOTHCKULFLC-SANMLTNESA-N 0 0 433.552 2.578 50 0 IFAARN Cc1nn(CCC(=O)NC[C@H](C)c2ccccc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000045998114 557015738 /nfs/dbraw/zinc/01/57/38/557015738.db2.gz JOVPOTQUNSVUGC-KRWDZBQOSA-N 0 0 432.590 2.985 50 0 IFAARN CSc1nn(CC(=O)Nc2ccc(F)c(F)c2)c(N)c1S(=O)(=O)c1ccccc1 ZINC000045986649 557015752 /nfs/dbraw/zinc/01/57/52/557015752.db2.gz XMPBRAAWADMLDD-UHFFFAOYSA-N 0 0 438.481 2.937 50 0 IFAARN CCCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1 ZINC000020440784 557016870 /nfs/dbraw/zinc/01/68/70/557016870.db2.gz WNNKKAXMFUTKFM-UHFFFAOYSA-N 0 0 445.589 2.741 50 0 IFAARN CCc1nnc(NC(=O)CCC(=O)N2CCN(COc3ccc(Cl)cc3)CC2)s1 ZINC000020440054 557016932 /nfs/dbraw/zinc/01/69/32/557016932.db2.gz MXHAWZRZGNELIU-UHFFFAOYSA-N 0 0 437.953 2.653 50 0 IFAARN CCOc1ccc(-n2nnnc2CN2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)cc1 ZINC000023134978 557017665 /nfs/dbraw/zinc/01/76/65/557017665.db2.gz CMODIDBEEITGSU-JOCHJYFZSA-N 0 0 434.544 2.899 50 0 IFAARN CCNC(=O)COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 ZINC000023136256 557018809 /nfs/dbraw/zinc/01/88/09/557018809.db2.gz ZXXYXDBELIIUQD-UHFFFAOYSA-N 0 0 428.470 2.685 50 0 IFAARN Cn1nc2c(c1NC(=O)C1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)CCC2 ZINC000023135707 557018854 /nfs/dbraw/zinc/01/88/54/557018854.db2.gz JOPOYLGYMRYOCM-UHFFFAOYSA-N 0 0 428.967 2.663 50 0 IFAARN COc1cc(-c2nnc(SCc3cc(=O)n4oc(C)cc4n3)o2)cc(OC)c1OC ZINC000046012696 557019020 /nfs/dbraw/zinc/01/90/20/557019020.db2.gz IBQLVHKTHPOCND-UHFFFAOYSA-N 0 0 430.442 2.964 50 0 IFAARN Cc1nn(CCC(=O)N2CCc3ccccc3C2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000046004439 557019027 /nfs/dbraw/zinc/01/90/27/557019027.db2.gz ZYZFYGHZRGVFBO-UHFFFAOYSA-N 0 0 444.601 2.896 50 0 IFAARN COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)c1cc3ccccc3o1)CC2 ZINC000010705514 557019057 /nfs/dbraw/zinc/01/90/57/557019057.db2.gz JETLLFRUPMJPCV-UHFFFAOYSA-N 0 0 444.509 2.568 50 0 IFAARN CN(C)C(=O)COc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)cc1 ZINC000023137545 557019524 /nfs/dbraw/zinc/01/95/24/557019524.db2.gz LXAAYVLUVBNVBC-UHFFFAOYSA-N 0 0 445.541 2.627 50 0 IFAARN Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2c1[C@@H](C)CC2=O ZINC000010712758 557020344 /nfs/dbraw/zinc/02/03/44/557020344.db2.gz OGQXHYVYAYLVGR-HNNXBMFYSA-N 0 0 429.494 2.925 50 0 IFAARN COc1ccc(/C=C/C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)cc1 ZINC000010727154 557021342 /nfs/dbraw/zinc/02/13/42/557021342.db2.gz YITCRSRYIDHEEZ-DLENHJPASA-N 0 0 435.542 2.600 50 0 IFAARN O=C(Cn1nc2c(c1NC(=O)c1c(F)cccc1Cl)CSC2)NC[C@H]1CCCO1 ZINC000023139227 557024056 /nfs/dbraw/zinc/02/40/56/557024056.db2.gz MULVDEXYOJGMCH-LLVKDONJSA-N 0 0 438.912 2.970 50 0 IFAARN CC(C)(C)NS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000010778213 557026168 /nfs/dbraw/zinc/02/61/68/557026168.db2.gz UCFHKXWABIXIIH-UHFFFAOYSA-N 0 0 443.569 2.798 50 0 IFAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000023145034 557026459 /nfs/dbraw/zinc/02/64/59/557026459.db2.gz OSLRQYAYGFBEOH-UHFFFAOYSA-N 0 0 435.550 2.796 50 0 IFAARN COc1cccc(NC(=O)COc2ccc(C(=O)OCC(=O)Nc3cc(C)on3)cc2)c1 ZINC000010787143 557026872 /nfs/dbraw/zinc/02/68/72/557026872.db2.gz FVLXDRCPINGHGX-UHFFFAOYSA-N 0 0 439.424 2.805 50 0 IFAARN CNC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000010785808 557026905 /nfs/dbraw/zinc/02/69/05/557026905.db2.gz INNGTUZYKFULLR-ZDUSSCGKSA-N 0 0 441.600 2.968 50 0 IFAARN O=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)N1CCN(c2ccccc2F)CC1 ZINC000032944710 557027106 /nfs/dbraw/zinc/02/71/06/557027106.db2.gz PDAZHBWPFZPEIU-UHFFFAOYSA-N 0 0 434.393 2.903 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(S[C@@H](C)C(N)=O)n(Cc1ccccc1Cl)c2=O ZINC000010783860 557027141 /nfs/dbraw/zinc/02/71/41/557027141.db2.gz HGJBEGHKHONWME-NSHDSACASA-N 0 0 431.901 2.851 50 0 IFAARN C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944806 557027821 /nfs/dbraw/zinc/02/78/21/557027821.db2.gz ZPOOCZYVSVYDRH-AWEZNQCLSA-N 0 0 431.418 2.720 50 0 IFAARN O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1F ZINC000010833791 557033038 /nfs/dbraw/zinc/03/30/38/557033038.db2.gz FYLWINFIJYQKPM-CYBMUJFWSA-N 0 0 445.310 2.809 50 0 IFAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(O)c1 ZINC000017188025 557035267 /nfs/dbraw/zinc/03/52/67/557035267.db2.gz XZIHEZPKLIPXLH-UHFFFAOYSA-N 0 0 445.324 2.854 50 0 IFAARN Cc1ccc2c(c1)N(C(=O)Cn1c(=O)cc(C(=O)N3CCCC3)c3ccccc31)CCO2 ZINC000046081276 557035740 /nfs/dbraw/zinc/03/57/40/557035740.db2.gz PSTGPYWJIFKONU-UHFFFAOYSA-N 0 0 431.492 2.972 50 0 IFAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000017191025 557035984 /nfs/dbraw/zinc/03/59/84/557035984.db2.gz PJCSPXFEWMEMGW-LJQANCHMSA-N 0 0 446.912 2.881 50 0 IFAARN O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000017179140 557038115 /nfs/dbraw/zinc/03/81/15/557038115.db2.gz NEYLJPBIOMGIRK-LJQANCHMSA-N 0 0 446.525 2.835 50 0 IFAARN COc1ccc(F)cc1CN1CCN(C(=O)CCC(=O)Nc2nnc(C(C)C)s2)CC1 ZINC000017205929 557041426 /nfs/dbraw/zinc/04/14/26/557041426.db2.gz NTMSGSHPCMREQO-UHFFFAOYSA-N 0 0 449.552 2.872 50 0 IFAARN O=C(c1cccc(Cl)c1)N(CCS(=O)(=O)N1CCNCC1)C1CCCCCC1 ZINC000046140788 557042303 /nfs/dbraw/zinc/04/23/03/557042303.db2.gz SNYYTZCSHXJCEK-UHFFFAOYSA-N 0 0 427.998 2.740 50 0 IFAARN COc1ccc(CC(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000046145028 557043077 /nfs/dbraw/zinc/04/30/77/557043077.db2.gz VNYWPCVPVICHOJ-UHFFFAOYSA-N 0 0 432.542 2.524 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)Cc2csc(NC(=O)/C=C/c3ccccc3)n2)cc1 ZINC000013959605 557043513 /nfs/dbraw/zinc/04/35/13/557043513.db2.gz MVFQHWAQTYNVTJ-IZZDOVSWSA-N 0 0 442.522 2.624 50 0 IFAARN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)N(Cc2noc(C)n2)C(=O)CO3)cc1 ZINC000046145512 557043729 /nfs/dbraw/zinc/04/37/29/557043729.db2.gz QIPGPTQOYCNSQQ-UHFFFAOYSA-N 0 0 444.469 2.503 50 0 IFAARN CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000010871078 557044596 /nfs/dbraw/zinc/04/45/96/557044596.db2.gz XCKBRJOBVCCTDB-UHFFFAOYSA-N 0 0 444.509 2.859 50 0 IFAARN CCOC(=O)C1CCN(C(=O)Cc2csc(NC(=O)c3ccc(OC)cc3)n2)CC1 ZINC000017296910 557046737 /nfs/dbraw/zinc/04/67/37/557046737.db2.gz JMFBGXOFGVKMJT-UHFFFAOYSA-N 0 0 431.514 2.748 50 0 IFAARN COc1cc([C@H]2CC(=O)Nc3c2cnn3-c2ccc3nnc(C)n3n2)ccc1OC(C)C ZINC000033271329 557048906 /nfs/dbraw/zinc/04/89/06/557048906.db2.gz RPWGZJOATZXIMY-OAHLLOKOSA-N 0 0 433.472 2.888 50 0 IFAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)o1 ZINC000048231683 557048893 /nfs/dbraw/zinc/04/88/93/557048893.db2.gz LYNIEAZVLMOORD-QGZVFWFLSA-N 0 0 442.541 2.842 50 0 IFAARN CCCCc1ccc(NC(=O)Cn2cnc3c(nnn3-c3cccc(OC)c3)c2=O)cc1 ZINC000017271298 557049110 /nfs/dbraw/zinc/04/91/10/557049110.db2.gz BHMLDIPXIKRZDG-UHFFFAOYSA-N 0 0 432.484 2.967 50 0 IFAARN CCOc1ccc(CN2CCN(CN3C(=O)NC4(C3=O)[C@H](C)CCC[C@H]4C)CC2)cc1 ZINC000022929834 557049365 /nfs/dbraw/zinc/04/93/65/557049365.db2.gz AYWFUCMFKXESGH-RTBURBONSA-N 0 0 428.577 2.907 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCC(C)=N4)cc3)CC2)s1 ZINC000048264030 557050508 /nfs/dbraw/zinc/05/05/08/557050508.db2.gz FUZSKLMAFXATRX-UHFFFAOYSA-N 0 0 432.571 2.789 50 0 IFAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000048263967 557050535 /nfs/dbraw/zinc/05/05/35/557050535.db2.gz DXTWXKAYWFCBQL-QWRGUYRKSA-N 0 0 443.875 2.919 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000048263965 557050634 /nfs/dbraw/zinc/05/06/34/557050634.db2.gz DXTWXKAYWFCBQL-PHIMTYICSA-N 0 0 443.875 2.919 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033273253 557051557 /nfs/dbraw/zinc/05/15/57/557051557.db2.gz HTPSQVPQOWSQPU-UHFFFAOYSA-N 0 0 447.542 2.964 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000022934890 557052084 /nfs/dbraw/zinc/05/20/84/557052084.db2.gz DGLOQIHTIHSSIJ-HNNXBMFYSA-N 0 0 427.376 2.951 50 0 IFAARN CCOc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccccc2)cc1 ZINC000017307321 557053451 /nfs/dbraw/zinc/05/34/51/557053451.db2.gz VAXQAYOGSPEKAA-UHFFFAOYSA-N 0 0 430.526 2.739 50 0 IFAARN Cc1ccc(OC[C@H](O)CN2CCN(C[C@H](O)COc3ccc(C)c(C)c3)CC2)cc1C ZINC000022942689 557054312 /nfs/dbraw/zinc/05/43/12/557054312.db2.gz IBBXPASVZXULQY-PSWAGMNNSA-N 0 0 442.600 2.717 50 0 IFAARN CC(C)CCNC(=O)N1CCN(Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)CC1 ZINC000033275667 557055184 /nfs/dbraw/zinc/05/51/84/557055184.db2.gz SJWNMFHTJUXMSF-UHFFFAOYSA-N 0 0 440.592 2.683 50 0 IFAARN COc1cccc(C[C@]2(CO)CCCN(C(=O)C3(N4CCOCC4)CCCCC3)C2)c1 ZINC000082039307 557056084 /nfs/dbraw/zinc/05/60/84/557056084.db2.gz ZAAQKBORARPMKS-XMMPIXPASA-N 0 0 430.589 2.874 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c2cccnc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000017316059 557056904 /nfs/dbraw/zinc/05/69/04/557056904.db2.gz NBQMSQKDGSTCPT-UHFFFAOYSA-N 0 0 448.454 2.783 50 0 IFAARN CCC(C)(C)NS(=O)(=O)c1cc(-c2c(C)nn3c2NC(=O)CCC3=O)ccc1OC ZINC000033276610 557057176 /nfs/dbraw/zinc/05/71/76/557057176.db2.gz DVCAOXUZKGDIMS-UHFFFAOYSA-N 0 0 434.518 2.707 50 0 IFAARN Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)N(C)Cc3ccco3)c1)NC(=O)CCC2=O ZINC000033276556 557057182 /nfs/dbraw/zinc/05/71/82/557057182.db2.gz GQWPAIXVTSZFRE-UHFFFAOYSA-N 0 0 442.497 2.953 50 0 IFAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC([C@H](O)c3ccccc3)CC1)C2=O ZINC000048285861 557058079 /nfs/dbraw/zinc/05/80/79/557058079.db2.gz FDBPCJUTUDNBMA-SSSUMRQXSA-N 0 0 427.545 2.849 50 0 IFAARN COc1ccc(NC(=O)CSc2ccc(N3CCC(C(=O)NC(C)C)CC3)nn2)cc1 ZINC000033277206 557058839 /nfs/dbraw/zinc/05/88/39/557058839.db2.gz RIMFGRVTGHUZFR-UHFFFAOYSA-N 0 0 443.573 2.957 50 0 IFAARN CC(=O)Nc1nc(C(=O)NCc2ccnc(OCc3ccc4c(c3)OCO4)c2)cs1 ZINC000048310022 557060274 /nfs/dbraw/zinc/06/02/74/557060274.db2.gz DYTAMMPZBSPTDM-UHFFFAOYSA-N 0 0 426.454 2.734 50 0 IFAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000023054662 557060438 /nfs/dbraw/zinc/06/04/38/557060438.db2.gz XAWOZJKVROTCFL-UHFFFAOYSA-N 0 0 427.844 2.926 50 0 IFAARN Cc1cccc2c(=O)n(CCCC(=O)N3CCC(NC(=O)c4ccccc4)CC3)cnc12 ZINC000023054842 557060500 /nfs/dbraw/zinc/06/05/00/557060500.db2.gz UHJSFRXVNWONFR-UHFFFAOYSA-N 0 0 432.524 2.906 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1)c1ccc2c(c1)CCCC2 ZINC000023057663 557061039 /nfs/dbraw/zinc/06/10/39/557061039.db2.gz RMJXZOQWYHHCNZ-NHCUHLMSSA-N 0 0 440.632 2.761 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C)cn4)C3)c2)no1 ZINC000033279130 557061074 /nfs/dbraw/zinc/06/10/74/557061074.db2.gz JWNFAHVRYCVDAT-AWEZNQCLSA-N 0 0 447.542 2.849 50 0 IFAARN COC(=O)C1CCN(C(=O)COC(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000023069609 557061517 /nfs/dbraw/zinc/06/15/17/557061517.db2.gz GYFWHAJCDNCKHB-UHFFFAOYSA-N 0 0 430.482 2.569 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCC(C)CC4)C3)c2)no1 ZINC000033279184 557061577 /nfs/dbraw/zinc/06/15/77/557061577.db2.gz MVONNGUFPTYOFD-HNNXBMFYSA-N 0 0 438.575 2.766 50 0 IFAARN O=C(Nc1cccc(-c2nnco2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000023075388 557061794 /nfs/dbraw/zinc/06/17/94/557061794.db2.gz FYPMAJCBCYOIOT-OAHLLOKOSA-N 0 0 430.461 2.915 50 0 IFAARN CN1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)[C@@H](c2ccccc2)C1 ZINC000048301022 557062570 /nfs/dbraw/zinc/06/25/70/557062570.db2.gz UVBCXRNKICULBX-LJQANCHMSA-N 0 0 441.329 2.674 50 0 IFAARN CCOC(=O)C1CCN(C(=O)COC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1 ZINC000023080482 557062757 /nfs/dbraw/zinc/06/27/57/557062757.db2.gz DEXUJUAPWQKGAQ-UHFFFAOYSA-N 0 0 442.516 2.848 50 0 IFAARN CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000048301944 557063030 /nfs/dbraw/zinc/06/30/30/557063030.db2.gz HYIZJSSTUBJCKL-UHFFFAOYSA-N 0 0 428.986 2.955 50 0 IFAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCN(c4cnccn4)CC3)c2)c1C ZINC000048301995 557063091 /nfs/dbraw/zinc/06/30/91/557063091.db2.gz DVIIOQCSAXVVKT-UHFFFAOYSA-N 0 0 435.488 2.502 50 0 IFAARN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000017357713 557063472 /nfs/dbraw/zinc/06/34/72/557063472.db2.gz GZYXVZCPDZNLQU-JOCHJYFZSA-N 0 0 441.597 2.648 50 0 IFAARN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)Nc1ccc(Br)cc1 ZINC000048302718 557063981 /nfs/dbraw/zinc/06/39/81/557063981.db2.gz BOFIKHYGYVRJKI-GOSISDBHSA-N 0 0 428.286 2.863 50 0 IFAARN CCOC(=O)c1cnn(-c2cc(C)nc3c(C)c(-c4ccc(OC)c(OC)c4)nn32)c1N ZINC000023118864 557064542 /nfs/dbraw/zinc/06/45/42/557064542.db2.gz OBTKJOLUESFIMG-UHFFFAOYSA-N 0 0 436.472 2.975 50 0 IFAARN O=C(Cn1c2ccccc2c2ncn(Cc3nc(C4CC4)no3)c(=O)c21)NC1CCCC1 ZINC000033281065 557066838 /nfs/dbraw/zinc/06/68/38/557066838.db2.gz JXTUVBQRELBDOC-UHFFFAOYSA-N 0 0 432.484 2.719 50 0 IFAARN Cc1noc(Cn2cnc3c4cc(C)ccc4n(CC(=O)NCc4ccccc4)c3c2=O)n1 ZINC000033281077 557066854 /nfs/dbraw/zinc/06/68/54/557066854.db2.gz RTWYNGFQNBVYGN-UHFFFAOYSA-N 0 0 442.479 2.716 50 0 IFAARN CCc1noc(Cn2cnc3c4cc(C)ccc4n(CC(=O)NC4CCCC4)c3c2=O)n1 ZINC000033281162 557067255 /nfs/dbraw/zinc/06/72/55/557067255.db2.gz JQNWGPVMPZYNLA-UHFFFAOYSA-N 0 0 434.500 2.712 50 0 IFAARN COc1cc(Cl)ccc1-c1nc(Cn2cnc(S(=O)(=O)N3CCCCC3)c2)no1 ZINC000033281645 557067429 /nfs/dbraw/zinc/06/74/29/557067429.db2.gz KPBCDISADROQMM-UHFFFAOYSA-N 0 0 437.909 2.818 50 0 IFAARN COc1ccccc1/C=C/c1nc(Cn2cnc(S(=O)(=O)N3CCCCC3)c2)no1 ZINC000033281671 557067437 /nfs/dbraw/zinc/06/74/37/557067437.db2.gz OLKAWUSJVRJVTC-MDZDMXLPSA-N 0 0 429.502 2.668 50 0 IFAARN CCN(CC)Cc1nc(C2(NS(=O)(=O)c3cccc4nsnc43)CCCC2)no1 ZINC000048314005 557067640 /nfs/dbraw/zinc/06/76/40/557067640.db2.gz OQZWHCWKUWQOCQ-UHFFFAOYSA-N 0 0 436.563 2.664 50 0 IFAARN Cc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(S(C)(=O)=O)cc4)C3)o2)cc1 ZINC000033291400 557069398 /nfs/dbraw/zinc/06/93/98/557069398.db2.gz OICGFDASXPTBRB-OAHLLOKOSA-N 0 0 440.481 2.554 50 0 IFAARN C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)[C@@H]1CCCO1 ZINC000023196293 557072568 /nfs/dbraw/zinc/07/25/68/557072568.db2.gz BXQDYXQNBRSVKT-KXBFYZLASA-N 0 0 446.525 2.946 50 0 IFAARN C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)[C@@H]1CCCO1 ZINC000023196289 557072633 /nfs/dbraw/zinc/07/26/33/557072633.db2.gz BXQDYXQNBRSVKT-BEFAXECRSA-N 0 0 446.525 2.946 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(F)F)s3)cc2)C[C@@H](C)O1 ZINC000048361817 557073293 /nfs/dbraw/zinc/07/32/93/557073293.db2.gz PXOIKHNYSZSKKA-NXEZZACHSA-N 0 0 432.474 2.526 50 0 IFAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000048355492 557073973 /nfs/dbraw/zinc/07/39/73/557073973.db2.gz TYFLHVCFRTZOND-UHFFFAOYSA-N 0 0 443.598 2.849 50 0 IFAARN O=C(NCc1cccnc1OCc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000048355943 557074230 /nfs/dbraw/zinc/07/42/30/557074230.db2.gz VGUQNEAFVDDTIX-UHFFFAOYSA-N 0 0 441.509 2.968 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1ccc(N2CCCCCC2)nc1 ZINC000048374860 557077037 /nfs/dbraw/zinc/07/70/37/557077037.db2.gz RWUDPANQALGRMR-WFXMLNOXSA-N 0 0 431.606 2.804 50 0 IFAARN CCCCNC(=O)c1sccc1S(=O)(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000049001739 557081163 /nfs/dbraw/zinc/08/11/63/557081163.db2.gz YVEHWOQKKKANQH-UHFFFAOYSA-N 0 0 437.587 2.798 50 0 IFAARN O=C(NCc1ccccc1)NC1(C(=O)OCc2cc(=O)n3ccsc3n2)CCCC1 ZINC000011301455 557081833 /nfs/dbraw/zinc/08/18/33/557081833.db2.gz AHWKFCOKXPAXLR-UHFFFAOYSA-N 0 0 426.498 2.611 50 0 IFAARN COc1ccc(C(C)=O)cc1COC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000011304896 557082208 /nfs/dbraw/zinc/08/22/08/557082208.db2.gz UBVYGBCIHPKICZ-UHFFFAOYSA-N 0 0 433.482 2.512 50 0 IFAARN Cc1cccc(NC(=O)c2ccc3nn(CC(=O)N4CCc5ccccc5C4)c(=O)n3c2)c1 ZINC000048986753 557082603 /nfs/dbraw/zinc/08/26/03/557082603.db2.gz BJFAVBMKSGFHOH-UHFFFAOYSA-N 0 0 441.491 2.642 50 0 IFAARN O=C(CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1)NCc1ccccc1 ZINC000023313571 557083844 /nfs/dbraw/zinc/08/38/44/557083844.db2.gz ZVOGSXVHWSVOCD-UHFFFAOYSA-N 0 0 433.552 2.599 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000023325262 557084168 /nfs/dbraw/zinc/08/41/68/557084168.db2.gz SOVZSERFOONCGO-UHFFFAOYSA-N 0 0 427.549 2.608 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nccn3c2=O)cc1OC ZINC000049008293 557086256 /nfs/dbraw/zinc/08/62/56/557086256.db2.gz QIYKMJJOJDBVRP-UHFFFAOYSA-N 0 0 435.440 2.648 50 0 IFAARN COc1cccc(NC(=O)Cn2nc3c(Oc4ccccc4Cl)nccn3c2=O)c1 ZINC000049008692 557086529 /nfs/dbraw/zinc/08/65/29/557086529.db2.gz AAHPGUAFHRBHTE-UHFFFAOYSA-N 0 0 425.832 2.984 50 0 IFAARN O=C(c1ccccc1F)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023358489 557087048 /nfs/dbraw/zinc/08/70/48/557087048.db2.gz ULTCKAFSQYGLIX-IBGZPJMESA-N 0 0 425.504 2.977 50 0 IFAARN Cn1c2nc(Br)n(CCCSc3nc4ccccc4o3)c2c(=O)[nH]c1=O ZINC000017440293 557088536 /nfs/dbraw/zinc/08/85/36/557088536.db2.gz MTLIIFUNGVOWSM-UHFFFAOYSA-N 0 0 436.291 2.509 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1OC ZINC000023386314 557090222 /nfs/dbraw/zinc/09/02/22/557090222.db2.gz VFGLYOZNIUUVQU-MRXNPFEDSA-N 0 0 438.571 2.834 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000023386127 557090268 /nfs/dbraw/zinc/09/02/68/557090268.db2.gz WHDNJWCKEDMDBC-UHFFFAOYSA-N 0 0 441.509 2.648 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)Cn1nc2c3sc(N4CCCC4)nc3ncn2c1=O ZINC000033309158 557090700 /nfs/dbraw/zinc/09/07/00/557090700.db2.gz LHDPSCMAFKJZQH-UHFFFAOYSA-N 0 0 443.920 2.701 50 0 IFAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)NCc3ccccc3)nn2)CC1 ZINC000049002931 557090792 /nfs/dbraw/zinc/09/07/92/557090792.db2.gz ADIRFHYWSPVUTN-UHFFFAOYSA-N 0 0 427.574 2.628 50 0 IFAARN Cc1cccc(NC(=O)Cn2nc3c4sc(N5CCCCC5)nc4ncn3c2=O)c1C ZINC000033309327 557093013 /nfs/dbraw/zinc/09/30/13/557093013.db2.gz CMJIRRRCOGVTEH-UHFFFAOYSA-N 0 0 437.529 2.747 50 0 IFAARN CC(C)NC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NC[C@H]3CCCO3)C2)cc1 ZINC000033310213 557093610 /nfs/dbraw/zinc/09/36/10/557093610.db2.gz KQNDYAGHASHONP-QFBILLFUSA-N 0 0 431.537 2.756 50 0 IFAARN O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000017529611 557094510 /nfs/dbraw/zinc/09/45/10/557094510.db2.gz HLESFNCQOJIQJE-FQEVSTJZSA-N 0 0 428.510 2.648 50 0 IFAARN Cc1cc2ccccc2n1CCNC(=O)CN1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000049389547 557094895 /nfs/dbraw/zinc/09/48/95/557094895.db2.gz RWEFQCTWRJNPCK-UHFFFAOYSA-N 0 0 434.496 2.779 50 0 IFAARN COc1ccc(-c2noc(Cn3nc4ccc(-c5ccccc5)nn4c3=O)n2)cc1OC ZINC000049399462 557095334 /nfs/dbraw/zinc/09/53/34/557095334.db2.gz OPIRQQOZOGVIBU-UHFFFAOYSA-N 0 0 430.424 2.674 50 0 IFAARN COc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)c1 ZINC000049406256 557095594 /nfs/dbraw/zinc/09/55/94/557095594.db2.gz DSYKCNAOXMBCFP-UHFFFAOYSA-N 0 0 439.903 2.964 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c(N4C[C@H](C)C[C@H](C)C4)nccn3c2=O)cc1Cl ZINC000049400286 557095806 /nfs/dbraw/zinc/09/58/06/557095806.db2.gz REMUSAKFEGKXSI-OKILXGFUSA-N 0 0 428.924 2.974 50 0 IFAARN Cc1cccc(Cl)c1NC(=O)Cn1ncc(SCC(=O)NC2CC2)c(Cl)c1=O ZINC000049401147 557097091 /nfs/dbraw/zinc/09/70/91/557097091.db2.gz QMYMBCMVPFYHGP-UHFFFAOYSA-N 0 0 441.340 2.868 50 0 IFAARN COC(=O)c1cn(Cc2c(F)cccc2Cl)nc1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000049402145 557097757 /nfs/dbraw/zinc/09/77/57/557097757.db2.gz NDLKWUOPOBDLMO-LBPRGKRZSA-N 0 0 429.901 2.931 50 0 IFAARN Cc1ccccc1CN1N=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc21 ZINC000049402763 557098232 /nfs/dbraw/zinc/09/82/32/557098232.db2.gz WKXRJBCFBXCSJH-UHFFFAOYSA-N 0 0 433.917 2.615 50 0 IFAARN COc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccc(C)cc3)NC2=O)cc1OC ZINC000049402896 557098303 /nfs/dbraw/zinc/09/83/03/557098303.db2.gz ZWVSAONHFCQJNM-OAQYLSRUSA-N 0 0 437.452 2.528 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)nc3n(c4=O)CCS3)CC2)cc1 ZINC000049403648 557099296 /nfs/dbraw/zinc/09/92/96/557099296.db2.gz VGWWXPYAEPMFGF-UHFFFAOYSA-N 0 0 434.521 2.667 50 0 IFAARN CCOc1ccc(-n2ncc(C(=O)O[C@H](C(=O)N3CCCC3)c3ccccc3)c2C)nn1 ZINC000023572235 557099412 /nfs/dbraw/zinc/09/94/12/557099412.db2.gz ZNIYYCJBCIZNEK-NRFANRHFSA-N 0 0 435.484 2.890 50 0 IFAARN CCOc1ccc(-n2ncc(C(=O)O[C@@H](C(=O)N3CCCC3)c3ccccc3)c2C)nn1 ZINC000023572233 557099440 /nfs/dbraw/zinc/09/94/40/557099440.db2.gz ZNIYYCJBCIZNEK-OAQYLSRUSA-N 0 0 435.484 2.890 50 0 IFAARN NC(=O)[C@@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000023575723 557099509 /nfs/dbraw/zinc/09/95/09/557099509.db2.gz WALDPVJXLMACPX-YJBOKZPZSA-N 0 0 436.917 2.511 50 0 IFAARN Cc1cc(C)n(-c2cc(SCC(=O)N3CCN(c4ccccc4F)CC3)ncn2)n1 ZINC000049404246 557099606 /nfs/dbraw/zinc/09/96/06/557099606.db2.gz URUSKOMLQYRACR-UHFFFAOYSA-N 0 0 426.521 2.859 50 0 IFAARN O=C(NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1)c1ccc(F)c(F)c1 ZINC000049406058 557101243 /nfs/dbraw/zinc/10/12/43/557101243.db2.gz ZAFZPYJECZJKSJ-UHFFFAOYSA-N 0 0 429.402 2.719 50 0 IFAARN O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)N1CCN(c2ccccc2Cl)CC1 ZINC000049388280 557101607 /nfs/dbraw/zinc/10/16/07/557101607.db2.gz IMYVEQSYIFHTCT-UHFFFAOYSA-N 0 0 442.903 2.660 50 0 IFAARN COc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4cc(C)cc(C)c4)nn3)CC2)c1 ZINC000049406412 557101611 /nfs/dbraw/zinc/10/16/11/557101611.db2.gz SWRUOSVSIRVANB-UHFFFAOYSA-N 0 0 433.512 2.927 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(CCOc3ccc(OC)cc3)CC2)c1C ZINC000023641143 557102204 /nfs/dbraw/zinc/10/22/04/557102204.db2.gz OQHIISNCAXSKDC-UHFFFAOYSA-N 0 0 429.517 2.654 50 0 IFAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3[nH]c(C)c(C(=O)OC)c3C)C2)cc1 ZINC000085621290 557102914 /nfs/dbraw/zinc/10/29/14/557102914.db2.gz OYLITDRHBVMHIM-GOSISDBHSA-N 0 0 441.528 2.985 50 0 IFAARN Cc1nc(-c2ccccn2)cc2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)n21 ZINC000049407281 557102864 /nfs/dbraw/zinc/10/28/64/557102864.db2.gz FJRKUGRXYWUHTR-UHFFFAOYSA-N 0 0 428.374 2.919 50 0 IFAARN O=C(COC(=O)CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Cl)cc1Cl ZINC000023653830 557103410 /nfs/dbraw/zinc/10/34/10/557103410.db2.gz AYIXHCPVPYFXRH-UHFFFAOYSA-N 0 0 428.272 2.730 50 0 IFAARN O=C(Cn1cccc(S(=O)(=O)N2CCCCC2)c1=O)Nc1ccccc1C(F)(F)F ZINC000049409045 557104017 /nfs/dbraw/zinc/10/40/17/557104017.db2.gz YWLHXELOWMXVID-UHFFFAOYSA-N 0 0 443.447 2.680 50 0 IFAARN Cc1cc(C)nc(O[C@H]2CCCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)C2)n1 ZINC000585147376 557104208 /nfs/dbraw/zinc/10/42/08/557104208.db2.gz UIRQPXFMCGYBAG-KRWDZBQOSA-N 0 0 445.470 2.684 50 0 IFAARN O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)N1CCN(c2ccccc2)CC1 ZINC000049409749 557104890 /nfs/dbraw/zinc/10/48/90/557104890.db2.gz AAJHMZZEADRWRN-UHFFFAOYSA-N 0 0 448.596 2.847 50 0 IFAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc1ccc(N(C)C)cc1)C2=O ZINC000023673847 557104951 /nfs/dbraw/zinc/10/49/51/557104951.db2.gz AFJLCNDEFFPNSN-HJUABHRKSA-N 0 0 444.532 2.514 50 0 IFAARN Cc1cccc(Oc2ccc(NC(=O)CN3CCN(C(=O)N4CCOCC4)CC3)cc2)c1 ZINC000023669639 557105083 /nfs/dbraw/zinc/10/50/83/557105083.db2.gz OGUAOOZMXJFKEE-UHFFFAOYSA-N 0 0 438.528 2.796 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000023681097 557105929 /nfs/dbraw/zinc/10/59/29/557105929.db2.gz QXDGBTLUKVWMQR-XLIONFOSSA-N 0 0 437.587 2.562 50 0 IFAARN Cn1nc(-c2cccs2)cc1C(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O ZINC000585147678 557108418 /nfs/dbraw/zinc/10/84/18/557108418.db2.gz QQIXUVSMQMYSAF-UHFFFAOYSA-N 0 0 443.554 2.612 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)c(Cl)c1 ZINC000049421706 557108665 /nfs/dbraw/zinc/10/86/65/557108665.db2.gz VYKXKKWANIAFDG-UHFFFAOYSA-N 0 0 435.864 2.816 50 0 IFAARN O=C(c1ccc(-n2cccc2)cc1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000585148547 557109738 /nfs/dbraw/zinc/10/97/38/557109738.db2.gz YONLOUBCOPSVBG-UHFFFAOYSA-N 0 0 434.418 2.908 50 0 IFAARN O=C(C=Cc1cc(F)ccc1F)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000585148545 557109752 /nfs/dbraw/zinc/10/97/52/557109752.db2.gz YBHMAXZVYPBNQY-DAFODLJHSA-N 0 0 431.361 2.796 50 0 IFAARN CC(=O)Nc1cccc(N2C(=O)N[C@H](CCC(=O)NCCn3ccc4ccccc43)C2=O)c1 ZINC000409415312 557110287 /nfs/dbraw/zinc/11/02/87/557110287.db2.gz ZWMGIMPOWIGZRR-HXUWFJFHSA-N 0 0 447.495 2.621 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc(Cc4ccccc4)s3)n2)cc1 ZINC000049545703 557111431 /nfs/dbraw/zinc/11/14/31/557111431.db2.gz SAKBWZWVSIXECP-UHFFFAOYSA-N 0 0 433.493 3.000 50 0 IFAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)NCc1cn2ccccc2n1 ZINC000023754969 557114261 /nfs/dbraw/zinc/11/42/61/557114261.db2.gz FLOANWJUHJGPIM-UHFFFAOYSA-N 0 0 426.274 2.513 50 0 IFAARN COc1ccc2c(c1)CCC[C@]21NC(=O)N(CN(C)CCOc2ccccc2F)C1=O ZINC000049622740 557115513 /nfs/dbraw/zinc/11/55/13/557115513.db2.gz FTOROYUAOWPFPW-QHCPKHFHSA-N 0 0 427.476 2.886 50 0 IFAARN O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049622738 557115516 /nfs/dbraw/zinc/11/55/16/557115516.db2.gz KRDDIQNCTFCMGC-IBGZPJMESA-N 0 0 432.446 2.948 50 0 IFAARN C[C@H](NCC(=O)NCCSc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000049609532 557115556 /nfs/dbraw/zinc/11/55/56/557115556.db2.gz RAFQSOHWNCEOLP-ZDUSSCGKSA-N 0 0 427.979 2.547 50 0 IFAARN O=C(CSc1nnnn1C1CCCC1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023805038 557116656 /nfs/dbraw/zinc/11/66/56/557116656.db2.gz DQZMIZDNAFLEAO-UHFFFAOYSA-N 0 0 426.999 2.940 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)CNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049590077 557116698 /nfs/dbraw/zinc/11/66/98/557116698.db2.gz HHLQNIOTTMCJBQ-IBGZPJMESA-N 0 0 447.539 2.797 50 0 IFAARN Cc1nnc(SCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1C ZINC000023805480 557117084 /nfs/dbraw/zinc/11/70/84/557117084.db2.gz DEAVJSGLIXCNPH-UHFFFAOYSA-N 0 0 434.875 2.632 50 0 IFAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C)cc2)C1 ZINC000049693985 557117866 /nfs/dbraw/zinc/11/78/66/557117866.db2.gz LUBBNWBFDKORKQ-BPOBUFBUSA-N 0 0 446.573 2.541 50 0 IFAARN COc1ccc([C@@H](CNC(=O)c2ccc(CN3CCCC3=O)cc2)N2CCOCC2)cc1 ZINC000023817892 557118033 /nfs/dbraw/zinc/11/80/33/557118033.db2.gz LIJOTVDXJDJYMU-HSZRJFAPSA-N 0 0 437.540 2.621 50 0 IFAARN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000023827864 557119497 /nfs/dbraw/zinc/11/94/97/557119497.db2.gz UJNZRKGAPRVITG-GFCCVEGCSA-N 0 0 438.962 2.706 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000001173425 557119535 /nfs/dbraw/zinc/11/95/35/557119535.db2.gz RXOJTGARJCFNTK-UHFFFAOYSA-N 0 0 425.304 2.722 50 0 IFAARN CCCN1C(=O)C(=O)N(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)C1=O ZINC000023842289 557119654 /nfs/dbraw/zinc/11/96/54/557119654.db2.gz HDYJTOUQNSXRME-OAQYLSRUSA-N 0 0 437.496 2.810 50 0 IFAARN O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2ccsc2)CC1 ZINC000023845608 557119936 /nfs/dbraw/zinc/11/99/36/557119936.db2.gz JIDKQQYHDZWKCN-QGZVFWFLSA-N 0 0 439.628 2.555 50 0 IFAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000014909989 557121071 /nfs/dbraw/zinc/12/10/71/557121071.db2.gz UWDFKEBBWNRLSI-HNNXBMFYSA-N 0 0 430.498 2.548 50 0 IFAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000017795926 557122308 /nfs/dbraw/zinc/12/23/08/557122308.db2.gz VQCBUEXUIVNXOO-UHFFFAOYSA-N 0 0 431.418 2.618 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000000635039 557123408 /nfs/dbraw/zinc/12/34/08/557123408.db2.gz HAAXBSWVXZCUNO-GTVARFKMSA-N 0 0 440.546 2.868 50 0 IFAARN O=C(CCn1ncc(=O)c2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023882676 557123542 /nfs/dbraw/zinc/12/35/42/557123542.db2.gz BJLAYEIVMNMMLF-UHFFFAOYSA-N 0 0 433.537 2.741 50 0 IFAARN O=C(c1ccc(F)cc1Br)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000014938369 557123867 /nfs/dbraw/zinc/12/38/67/557123867.db2.gz XHZDBHQUVBHSCY-UHFFFAOYSA-N 0 0 445.285 2.874 50 0 IFAARN O=C(NCCCN1CCN(c2ncccn2)CC1)c1ccccc1C(=O)c1ccccc1 ZINC000023895687 557124078 /nfs/dbraw/zinc/12/40/78/557124078.db2.gz SLIWGGDJFTVQIU-UHFFFAOYSA-N 0 0 429.524 2.650 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCc4ccccc4OC)ccc3c2=O)cc1 ZINC000004791527 557124449 /nfs/dbraw/zinc/12/44/49/557124449.db2.gz WFLNUTLEECDFQY-UHFFFAOYSA-N 0 0 445.475 2.685 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCc4ccccc4)ccc3c2=O)cc1 ZINC000004791425 557125221 /nfs/dbraw/zinc/12/52/21/557125221.db2.gz JZPPIAQSLMHSMD-UHFFFAOYSA-N 0 0 429.476 2.719 50 0 IFAARN COc1cc(OC)cc(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccccc4)ccc3c2=O)c1 ZINC000004793129 557125574 /nfs/dbraw/zinc/12/55/74/557125574.db2.gz OIZXSJWPWKBVPE-UHFFFAOYSA-N 0 0 445.475 2.669 50 0 IFAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000023927507 557125802 /nfs/dbraw/zinc/12/58/02/557125802.db2.gz DMBQECOXBRIKRO-UHFFFAOYSA-N 0 0 446.479 2.606 50 0 IFAARN NC(=O)Cn1c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccccc2c1=O ZINC000023935668 557126143 /nfs/dbraw/zinc/12/61/43/557126143.db2.gz HUZRYUQEFYBEFO-HNNXBMFYSA-N 0 0 433.537 2.871 50 0 IFAARN Cc1cccc(-n2c(SCc3cc(=O)n4ccsc4n3)nnc2N2CCOCC2)c1 ZINC000017876349 557127360 /nfs/dbraw/zinc/12/73/60/557127360.db2.gz URVGYGKHDHSQMG-UHFFFAOYSA-N 0 0 440.554 2.774 50 0 IFAARN Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000024085747 557135761 /nfs/dbraw/zinc/13/57/61/557135761.db2.gz KSRFRZRDADKCRH-HOYKHHGWSA-N 0 0 440.496 2.672 50 0 IFAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000010932103 557136777 /nfs/dbraw/zinc/13/67/77/557136777.db2.gz VBNZBIZZVCVGFX-OAHLLOKOSA-N 0 0 435.473 2.583 50 0 IFAARN COc1ccc2cc(C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)c(C)nc2c1 ZINC000024096936 557136974 /nfs/dbraw/zinc/13/69/74/557136974.db2.gz ZWNBTGTZYAFMIZ-UHFFFAOYSA-N 0 0 443.507 2.746 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)c(OC)c1OC ZINC000024134604 557138041 /nfs/dbraw/zinc/13/80/41/557138041.db2.gz DSJNAJIPLRFIIA-UHFFFAOYSA-N 0 0 436.512 2.856 50 0 IFAARN Cc1csc(=O)n1CCCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000024143977 557138653 /nfs/dbraw/zinc/13/86/53/557138653.db2.gz GMRNETANPHGGOC-UHFFFAOYSA-N 0 0 431.514 2.604 50 0 IFAARN CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCc2ccccc2)[C@]12c1ccccc1NC2=O ZINC000000705597 557139571 /nfs/dbraw/zinc/13/95/71/557139571.db2.gz UKWFZUIKTIRWAZ-XMMPIXPASA-N 0 0 434.448 2.658 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cccc4cccnc43)CC2)c1 ZINC000024193356 557140455 /nfs/dbraw/zinc/14/04/55/557140455.db2.gz QQWZXTBWRUCKCA-UHFFFAOYSA-N 0 0 427.526 2.759 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cccc4cccnc43)CC2)cc1OC ZINC000024258389 557142040 /nfs/dbraw/zinc/14/20/40/557142040.db2.gz JXVZTPOQAHZUSQ-UHFFFAOYSA-N 0 0 427.526 2.759 50 0 IFAARN CN(Cc1nc2ccccc2s1)C(=O)CCCNC1=NS(=O)(=O)c2ccccc21 ZINC000024314632 557143899 /nfs/dbraw/zinc/14/38/99/557143899.db2.gz ZYAZSXBKNZANPB-UHFFFAOYSA-N 0 0 428.539 2.774 50 0 IFAARN O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000024356170 557145090 /nfs/dbraw/zinc/14/50/90/557145090.db2.gz AUEQQURYTCLYCY-UHFFFAOYSA-N 0 0 433.511 2.605 50 0 IFAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C2=COCCO2)cc1 ZINC000011444983 557148397 /nfs/dbraw/zinc/14/83/97/557148397.db2.gz OXBOXNWCZPQXFC-AWEZNQCLSA-N 0 0 426.425 2.706 50 0 IFAARN COc1cc(C)c(CN2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1OC ZINC000024511846 557149346 /nfs/dbraw/zinc/14/93/46/557149346.db2.gz PXTFXTODWKBTSL-UHFFFAOYSA-N 0 0 432.542 2.596 50 0 IFAARN CSCC[C@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000247547923 557152401 /nfs/dbraw/zinc/15/24/01/557152401.db2.gz VATMIQDCCLIWDR-GUDVDZBRSA-N 0 0 443.569 2.814 50 0 IFAARN C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc32)CCO1 ZINC000011495690 557153818 /nfs/dbraw/zinc/15/38/18/557153818.db2.gz PHPPHGHZTXQJSW-ZDUSSCGKSA-N 0 0 445.472 2.741 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 ZINC000024610150 557154590 /nfs/dbraw/zinc/15/45/90/557154590.db2.gz OEQZQDDTKZJXPJ-UHFFFAOYSA-N 0 0 433.505 2.965 50 0 IFAARN O=C(C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)N1CC(=O)Nc2ccccc21 ZINC000024610813 557154886 /nfs/dbraw/zinc/15/48/86/557154886.db2.gz CLLLIOBSORNPAV-UHFFFAOYSA-N 0 0 447.944 2.867 50 0 IFAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000024611870 557155135 /nfs/dbraw/zinc/15/51/35/557155135.db2.gz YZCQFWVMSDLHNG-UHFFFAOYSA-N 0 0 430.526 2.582 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 ZINC000024611880 557155150 /nfs/dbraw/zinc/15/51/50/557155150.db2.gz OJTCTBUZKZOWRV-UHFFFAOYSA-N 0 0 430.570 2.904 50 0 IFAARN CCNC(=O)NC(=O)[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1ccccc1 ZINC000024715454 557160375 /nfs/dbraw/zinc/16/03/75/557160375.db2.gz NGLVCGVZSHLGMZ-QGZVFWFLSA-N 0 0 425.514 2.906 50 0 IFAARN CC(=O)NCc1ccc(C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)s1 ZINC000024737240 557161123 /nfs/dbraw/zinc/16/11/23/557161123.db2.gz BKSACBWNGXAENG-OAHLLOKOSA-N 0 0 437.905 2.563 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c1 ZINC000206772048 557162072 /nfs/dbraw/zinc/16/20/72/557162072.db2.gz PDWUTZYKWHRYBG-KRWDZBQOSA-N 0 0 442.541 2.508 50 0 IFAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)cc1OC ZINC000206798680 557164133 /nfs/dbraw/zinc/16/41/33/557164133.db2.gz FNRWTJXBJSOULF-MJGOQNOKSA-N 0 0 431.460 2.997 50 0 IFAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N3CCCC3)c1)CS2 ZINC000024761166 557164248 /nfs/dbraw/zinc/16/42/48/557164248.db2.gz CHDDOQBFQAKASW-KDOFPFPSSA-N 0 0 443.978 2.517 50 0 IFAARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(Cl)ccc1OC ZINC000206805486 557165239 /nfs/dbraw/zinc/16/52/39/557165239.db2.gz VOQOJYNVSFIOQW-DZGCQCFKSA-N 0 0 443.880 2.871 50 0 IFAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000206903648 557165992 /nfs/dbraw/zinc/16/59/92/557165992.db2.gz JQRNZEMVSDXSSI-UHFFFAOYSA-N 0 0 439.523 2.928 50 0 IFAARN O=C(CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)Nc1ccc(F)c(F)c1F ZINC000024812253 557168347 /nfs/dbraw/zinc/16/83/47/557168347.db2.gz QQILXDKBYRTWRN-LLVKDONJSA-N 0 0 425.432 2.773 50 0 IFAARN Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1 ZINC000024838166 557172628 /nfs/dbraw/zinc/17/26/28/557172628.db2.gz LZEWSGJHIULUMC-UHFFFAOYSA-N 0 0 447.524 2.640 50 0 IFAARN O=C(NC[C@@H]1COc2ccccc2O1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000024858134 557174508 /nfs/dbraw/zinc/17/45/08/557174508.db2.gz UMAAUGBKXJHWCW-NQIIRXRSSA-N 0 0 442.471 2.850 50 0 IFAARN CCCCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2C1=O ZINC000010966184 557175938 /nfs/dbraw/zinc/17/59/38/557175938.db2.gz JFZOOMLSQIVQFY-AWEZNQCLSA-N 0 0 428.510 2.977 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000024876304 557176043 /nfs/dbraw/zinc/17/60/43/557176043.db2.gz JPKIKFWUVKPGMJ-OAQYLSRUSA-N 0 0 429.860 2.869 50 0 IFAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1nc(N)nc(N(C)C)n1 ZINC000024903985 557178001 /nfs/dbraw/zinc/17/80/01/557178001.db2.gz NJXBUJJYZCPRDL-IUODEOHRSA-N 0 0 444.540 2.950 50 0 IFAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-n2ccnc2)nc1 ZINC000024906019 557178320 /nfs/dbraw/zinc/17/83/20/557178320.db2.gz MENNWBSLQYBYGJ-UHFFFAOYSA-N 0 0 439.273 2.769 50 0 IFAARN Cc1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N1CCNC1=O ZINC000024917506 557178825 /nfs/dbraw/zinc/17/88/25/557178825.db2.gz RRHNPCAUBOOFCS-UHFFFAOYSA-N 0 0 428.901 2.991 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000024928944 557180870 /nfs/dbraw/zinc/18/08/70/557180870.db2.gz VNABSSUUKSULJA-UHFFFAOYSA-N 0 0 437.521 2.956 50 0 IFAARN CCC[C@@H](C)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1C[C@@H]1CCCO1 ZINC000024959397 557182460 /nfs/dbraw/zinc/18/24/60/557182460.db2.gz BOPQELSVVLSOTB-ZBFHGGJFSA-N 0 0 447.557 2.759 50 0 IFAARN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)C3CCN(C(=O)C4CC4)CC3)C2=O)cc1 ZINC000097986020 557182511 /nfs/dbraw/zinc/18/25/11/557182511.db2.gz IHDRGQGKEFYGJI-XMHGGMMESA-N 0 0 441.553 2.796 50 0 IFAARN CCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(C)c3)CC2)N1C(=O)c1ccco1 ZINC000096210127 557182998 /nfs/dbraw/zinc/18/29/98/557182998.db2.gz RGIBAAKGJBQZGY-IBGZPJMESA-N 0 0 439.512 2.588 50 0 IFAARN Cn1c2c(c(=O)n(C)c1=O)n(Cc1ccccc1Cl)c1nnc(-c3ccc(F)cc3)n12 ZINC000010969138 557183100 /nfs/dbraw/zinc/18/31/00/557183100.db2.gz CSBSOBHLTHDXHF-UHFFFAOYSA-N 0 0 438.850 2.589 50 0 IFAARN Cc1ccc(-c2nnc3n(Cc4cc(C)ccc4C)c4c(n23)n(C)c(=O)n(C)c4=O)cc1 ZINC000010968883 557183124 /nfs/dbraw/zinc/18/31/24/557183124.db2.gz RSRBACWZFMQKGT-UHFFFAOYSA-N 0 0 428.496 2.722 50 0 IFAARN NC(=O)[C@H]1CC(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)=NN1c1ccccc1 ZINC000024970795 557183674 /nfs/dbraw/zinc/18/36/74/557183674.db2.gz ROHHOMGOOKVOQF-GOSISDBHSA-N 0 0 434.525 2.955 50 0 IFAARN CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000009263909 557185204 /nfs/dbraw/zinc/18/52/04/557185204.db2.gz PDHAQZYUGDXWEL-SNVBAGLBSA-N 0 0 449.537 2.819 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000024985865 557186447 /nfs/dbraw/zinc/18/64/47/557186447.db2.gz WFJVKVQPMOFNAY-HXUWFJFHSA-N 0 0 444.553 2.917 50 0 IFAARN COC(=O)C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1cccs1 ZINC000024987259 557186801 /nfs/dbraw/zinc/18/68/01/557186801.db2.gz TXEJQBOPSQHBIG-AWEZNQCLSA-N 0 0 430.935 2.686 50 0 IFAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1cccc(OC(F)(F)F)c1 ZINC000024369719 557187569 /nfs/dbraw/zinc/18/75/69/557187569.db2.gz PPMBCQVGUWFURO-UHFFFAOYSA-N 0 0 431.436 2.564 50 0 IFAARN CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nccs1 ZINC000009614917 557192158 /nfs/dbraw/zinc/19/21/58/557192158.db2.gz VKJQFWZKHVHCON-UHFFFAOYSA-N 0 0 434.522 2.597 50 0 IFAARN CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](C)NC(=O)c1ccccc1OC ZINC000009615141 557192179 /nfs/dbraw/zinc/19/21/79/557192179.db2.gz HRAUUYKWVTYBGR-GFCCVEGCSA-N 0 0 446.558 2.985 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4ccccc4n3C)cc2)C[C@H](C)O1 ZINC000100853532 557192864 /nfs/dbraw/zinc/19/28/64/557192864.db2.gz MFFXAQYGQHWLAY-QWAUMEEFSA-N 0 0 445.566 2.779 50 0 IFAARN C[C@H]1CCCCN1C(=O)CN1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000069930225 557193608 /nfs/dbraw/zinc/19/36/08/557193608.db2.gz IPVCHUMUUOMRIJ-URXFXBBRSA-N 0 0 426.605 2.759 50 0 IFAARN Cc1nc(-c2ccccn2)sc1C(=O)NCCNS(=O)(=O)c1cc(C)ccc1C ZINC000025127375 557195924 /nfs/dbraw/zinc/19/59/24/557195924.db2.gz KIRZVNDYSOQHFC-UHFFFAOYSA-N 0 0 430.555 2.839 50 0 IFAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1cccc(Cl)c1 ZINC000100873587 557196443 /nfs/dbraw/zinc/19/64/43/557196443.db2.gz ABGMDJLVASWKLX-UZYVYHOESA-N 0 0 439.946 2.781 50 0 IFAARN Cc1ccc(N2N=C(C(=O)Nc3cccc(S(=O)(=O)C4CCCC4)c3)NCC2=O)cc1 ZINC000025140137 557196492 /nfs/dbraw/zinc/19/64/92/557196492.db2.gz SVRASDABMLBHPW-UHFFFAOYSA-N 0 0 440.525 2.600 50 0 IFAARN O=C(Nc1nnc([C@@H]2CCCO2)o1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000010971717 557197192 /nfs/dbraw/zinc/19/71/92/557197192.db2.gz TXXVPVRILZKAOK-QWRGUYRKSA-N 0 0 446.938 2.675 50 0 IFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C2CC2)CC1)OCc1ccccc1 ZINC000025170819 557198336 /nfs/dbraw/zinc/19/83/36/557198336.db2.gz ZZXBLFIWXXMRKR-QFIPXVFZSA-N 0 0 435.524 2.605 50 0 IFAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)CNC(=O)c1ccco1 ZINC000025182258 557199119 /nfs/dbraw/zinc/19/91/19/557199119.db2.gz DTZCSOGXZVNXHR-UHFFFAOYSA-N 0 0 446.437 2.690 50 0 IFAARN Cc1cccn2cc(COc3ccccc3C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)nc12 ZINC000072236015 557200890 /nfs/dbraw/zinc/20/08/90/557200890.db2.gz NHESCJFQYXMXFI-JOCHJYFZSA-N 0 0 448.523 2.685 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)CSc2nccc(C(F)(F)F)n2)s1 ZINC000025256723 557201481 /nfs/dbraw/zinc/20/14/81/557201481.db2.gz BJMTZTCGXIAMCM-UHFFFAOYSA-N 0 0 425.479 2.624 50 0 IFAARN CCOc1ccccc1N1CCN(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)CC1 ZINC000025266561 557202143 /nfs/dbraw/zinc/20/21/43/557202143.db2.gz ROUNFTYEWDSRNN-VWLOTQADSA-N 0 0 434.540 2.948 50 0 IFAARN O=C(c1cccc2ccccc21)N1CCC[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000025343202 557205217 /nfs/dbraw/zinc/20/52/17/557205217.db2.gz IMEDOFLXTMCJSX-FQEVSTJZSA-N 0 0 429.524 2.831 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCCCCOc1ccc(F)cc1 ZINC000025342047 557205333 /nfs/dbraw/zinc/20/53/33/557205333.db2.gz IMVRGEHGUFVKFN-SFHVURJKSA-N 0 0 439.509 2.559 50 0 IFAARN CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2cccnc2)c1 ZINC000025347210 557205718 /nfs/dbraw/zinc/20/57/18/557205718.db2.gz VKOKLKFYKHATSO-UHFFFAOYSA-N 0 0 426.336 2.708 50 0 IFAARN O=S(=O)(Cc1ccc(F)cc1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000025372237 557206266 /nfs/dbraw/zinc/20/62/66/557206266.db2.gz LNHABYQWYBSYSV-UHFFFAOYSA-N 0 0 426.535 2.620 50 0 IFAARN CCOC(=O)C1=NN(C(=O)COc2ccccc2)[C@](O)(c2ccc(Br)cc2)C1 ZINC000000796949 557209387 /nfs/dbraw/zinc/20/93/87/557209387.db2.gz MFLKANXBEQNPMI-HXUWFJFHSA-N 0 0 447.285 2.825 50 0 IFAARN Cc1nc(-c2c(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)n3c2CCCCC3)no1 ZINC000169764010 557211479 /nfs/dbraw/zinc/21/14/79/557211479.db2.gz PDPFXSXUEBZDAQ-UHFFFAOYSA-N 0 0 447.854 2.526 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)c1C ZINC000025499306 557212349 /nfs/dbraw/zinc/21/23/49/557212349.db2.gz LZAMGGMVTSVHAW-NRFANRHFSA-N 0 0 432.586 2.666 50 0 IFAARN Cc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)c1 ZINC000011617402 557213037 /nfs/dbraw/zinc/21/30/37/557213037.db2.gz VFQYRVWZVXDWNQ-UHFFFAOYSA-N 0 0 444.538 2.787 50 0 IFAARN Cc1cc(NC(=O)CSCC(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)no1 ZINC000011641516 557219181 /nfs/dbraw/zinc/21/91/81/557219181.db2.gz PVZYUKLCOUPHEQ-UHFFFAOYSA-N 0 0 446.312 2.821 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)N3CCc4ccccc43)CC2)c(C)c1 ZINC000025677648 557221647 /nfs/dbraw/zinc/22/16/47/557221647.db2.gz WOBYYMHYWONAPX-UHFFFAOYSA-N 0 0 427.570 2.589 50 0 IFAARN CN(C)S(=O)(=O)N1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000025740383 557223869 /nfs/dbraw/zinc/22/38/69/557223869.db2.gz KWPYLUPXOGDYCK-UHFFFAOYSA-N 0 0 441.475 2.937 50 0 IFAARN COCCN(CCOC)c1nc(CN2CCOCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000025748311 557224218 /nfs/dbraw/zinc/22/42/18/557224218.db2.gz YGCGMRRMUYMMAG-MRXNPFEDSA-N 0 0 434.606 2.748 50 0 IFAARN O=C(NCc1ccnc(N2CCOCC2)c1)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000025760715 557224474 /nfs/dbraw/zinc/22/44/74/557224474.db2.gz CCGQMWXBBKJNQY-UHFFFAOYSA-N 0 0 446.486 2.964 50 0 IFAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000025818843 557227770 /nfs/dbraw/zinc/22/77/70/557227770.db2.gz HEPOYEBYQIWWTM-CYBMUJFWSA-N 0 0 441.431 2.864 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(N3CCCC3)n1C1CC1)CCC2 ZINC000011376562 557228907 /nfs/dbraw/zinc/22/89/07/557228907.db2.gz RHZNZNFFIMXIOD-UHFFFAOYSA-N 0 0 432.575 2.593 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1cc(F)ccc1N(CCc1ccccc1)C2=O ZINC000000806626 557230049 /nfs/dbraw/zinc/23/00/49/557230049.db2.gz STULAYJAHCBJQE-NRFANRHFSA-N 0 0 426.473 2.570 50 0 IFAARN Cc1csc(=O)n1CCCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025920386 557230322 /nfs/dbraw/zinc/23/03/22/557230322.db2.gz QGNHNZAUQCFGLD-UHFFFAOYSA-N 0 0 430.526 2.891 50 0 IFAARN CCS(=O)(=O)N1CCC(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000025957401 557231008 /nfs/dbraw/zinc/23/10/08/557231008.db2.gz ZCELKKXQVDTVRV-UHFFFAOYSA-N 0 0 425.938 2.858 50 0 IFAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2C1=O ZINC000018036668 557230999 /nfs/dbraw/zinc/23/09/99/557230999.db2.gz BRHOUCCXNQDCHB-IYBDPMFKSA-N 0 0 436.464 2.588 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2cc(Br)ccc2OC)cc1OC ZINC000011613838 557231042 /nfs/dbraw/zinc/23/10/42/557231042.db2.gz WQXYAWQECVAOOW-UHFFFAOYSA-N 0 0 430.320 2.996 50 0 IFAARN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000011666160 557231933 /nfs/dbraw/zinc/23/19/33/557231933.db2.gz GBIKCUQWMPEPEZ-UHFFFAOYSA-N 0 0 447.539 2.541 50 0 IFAARN COc1cccc(-c2nnc3ccc(OCCNC(=O)c4ccc(F)c(F)c4)nn32)c1 ZINC000011693901 557232916 /nfs/dbraw/zinc/23/29/16/557232916.db2.gz LCHIEKIDVGBCMJ-UHFFFAOYSA-N 0 0 425.395 2.887 50 0 IFAARN COc1cc(C(=O)NCCNc2ccc(Nc3cc(C)ccn3)nn2)cc(OC)c1OC ZINC000011696732 557233088 /nfs/dbraw/zinc/23/30/88/557233088.db2.gz IFEZYSDNYVTBGF-UHFFFAOYSA-N 0 0 438.488 2.791 50 0 IFAARN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NC[C@@H](CC(C)C)N1CCOCC1 ZINC000026062105 557233342 /nfs/dbraw/zinc/23/33/42/557233342.db2.gz LHUFJDIHYNXEIZ-GOSISDBHSA-N 0 0 439.622 2.549 50 0 IFAARN COC(=O)c1sccc1NC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000072261277 557233694 /nfs/dbraw/zinc/23/36/94/557233694.db2.gz OWRCOWBIZMPLON-UHFFFAOYSA-N 0 0 433.515 2.996 50 0 IFAARN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(-n2ccnc2)cc1 ZINC000018047756 557233709 /nfs/dbraw/zinc/23/37/09/557233709.db2.gz JTUQMRDRBAHHMX-SJLPKXTDSA-N 0 0 432.480 2.874 50 0 IFAARN C[C@@H]1Cc2cc(-c3csc(CC(=O)NCc4ccco4)n3)ccc2N1S(C)(=O)=O ZINC000026163060 557236765 /nfs/dbraw/zinc/23/67/65/557236765.db2.gz PQDNWCDSXKZMRV-CYBMUJFWSA-N 0 0 431.539 2.973 50 0 IFAARN CCCNC(=O)CSc1nnc(SCC(=O)Nc2cccc3nsnc32)s1 ZINC000026219401 557237309 /nfs/dbraw/zinc/23/73/09/557237309.db2.gz PKYFMUXMPORXBA-UHFFFAOYSA-N 0 0 440.601 2.892 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@@H](C(N)=O)c3ccccc3)cc2)cc1 ZINC000026218668 557237418 /nfs/dbraw/zinc/23/74/18/557237418.db2.gz LBEIYNFBUXMDTM-HXUWFJFHSA-N 0 0 440.477 2.879 50 0 IFAARN COC(=O)C[C@H](c1coc2ccccc2c1=O)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604405911 557239287 /nfs/dbraw/zinc/23/92/87/557239287.db2.gz WXFDVKVNBFGULO-QGZVFWFLSA-N 0 0 449.463 2.630 50 0 IFAARN CCOc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)N3CCCc4ccccc43)c2C)nn1 ZINC000026428128 557241081 /nfs/dbraw/zinc/24/10/81/557241081.db2.gz LESKDEJNCPKKTQ-MRXNPFEDSA-N 0 0 435.484 2.894 50 0 IFAARN COc1ccc([C@H](O)Cn2cnc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)n2)cc1 ZINC000583648930 557241497 /nfs/dbraw/zinc/24/14/97/557241497.db2.gz FARMESYAAADCQM-JOCHJYFZSA-N 0 0 435.528 2.600 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(F)c(C(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)c1 ZINC000026497166 557242524 /nfs/dbraw/zinc/24/25/24/557242524.db2.gz VIMICXILJIMYDU-IBGZPJMESA-N 0 0 434.489 2.597 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 ZINC000026497162 557242563 /nfs/dbraw/zinc/24/25/63/557242563.db2.gz VIMICXILJIMYDU-LJQANCHMSA-N 0 0 434.489 2.597 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCc1nnc2ccccn21 ZINC000026503955 557242803 /nfs/dbraw/zinc/24/28/03/557242803.db2.gz ORBTVQKEZXMRBF-QGZVFWFLSA-N 0 0 430.306 2.563 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000014772785 557243273 /nfs/dbraw/zinc/24/32/73/557243273.db2.gz HNYBXDDRQARHMK-CVEARBPZSA-N 0 0 444.509 2.829 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)C2CCCCC2)c(C)c1 ZINC000000810828 557243372 /nfs/dbraw/zinc/24/33/72/557243372.db2.gz CPEOQMYKNNXETJ-UHFFFAOYSA-N 0 0 449.617 2.659 50 0 IFAARN Cc1cc(N2CCN(C(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)nc(C(C)C)n1 ZINC000026556884 557244906 /nfs/dbraw/zinc/24/49/06/557244906.db2.gz SIVSMXKZNXVXJO-FQEVSTJZSA-N 0 0 437.544 2.988 50 0 IFAARN COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604403933 557246402 /nfs/dbraw/zinc/24/64/02/557246402.db2.gz FCHXSQLYKMXCAZ-QGZVFWFLSA-N 0 0 441.484 2.540 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1C(N)=O ZINC000026761646 557247414 /nfs/dbraw/zinc/24/74/14/557247414.db2.gz QITXNRIGQZCDLO-HNNXBMFYSA-N 0 0 444.582 2.771 50 0 IFAARN O=C(OCc1sc2ccccc2c1Cl)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000026887607 557250168 /nfs/dbraw/zinc/25/01/68/557250168.db2.gz POARUADTDMCHOK-LLVKDONJSA-N 0 0 440.930 2.763 50 0 IFAARN Cn1nc2c(c1NC(=O)CN1C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]31)CSC2 ZINC000604419809 557251916 /nfs/dbraw/zinc/25/19/16/557251916.db2.gz ZKBQNKBPQBABME-OAQYLSRUSA-N 0 0 445.504 2.920 50 0 IFAARN C[C@H](NC(=O)c1ccccc1F)c1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C ZINC000018219719 557252212 /nfs/dbraw/zinc/25/22/12/557252212.db2.gz ZYQNSJJSVZYJKZ-LBPRGKRZSA-N 0 0 438.488 2.974 50 0 IFAARN CNS(=O)(=O)c1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000018216135 557252498 /nfs/dbraw/zinc/25/24/98/557252498.db2.gz FOPBWKXBFQRHKL-UHFFFAOYSA-N 0 0 436.843 2.504 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000018215900 557252665 /nfs/dbraw/zinc/25/26/65/557252665.db2.gz LLRKVCSMACZIJA-BETUJISGSA-N 0 0 444.841 2.623 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2)C1 ZINC000018223762 557252927 /nfs/dbraw/zinc/25/29/27/557252927.db2.gz GRWQKIOWEFHIFY-IYBDPMFKSA-N 0 0 435.571 2.717 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)s1 ZINC000026986625 557253640 /nfs/dbraw/zinc/25/36/40/557253640.db2.gz UDMITQLZFNSOPP-UHFFFAOYSA-N 0 0 430.935 2.907 50 0 IFAARN Nc1nc(COC(=O)CCN2C(=O)c3ccccc3C2=O)nc2sc3c(c21)CCCC3 ZINC000018257828 557254596 /nfs/dbraw/zinc/25/45/96/557254596.db2.gz VTLKQAZKJYBQKF-UHFFFAOYSA-N 0 0 436.493 2.882 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390831661 557258840 /nfs/dbraw/zinc/25/88/40/557258840.db2.gz TYXVYQVPLPRVHC-FOIQADDNSA-N 0 0 448.491 2.706 50 0 IFAARN COc1ccc(Nc2nnc(SCC(=O)NCC(C)(C)N3CCOCC3)s2)cc1 ZINC000027234808 557259170 /nfs/dbraw/zinc/25/91/70/557259170.db2.gz WFDZPRREMVOTRB-UHFFFAOYSA-N 0 0 437.591 2.609 50 0 IFAARN CC(=O)N[C@H](CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1)c1ccccc1 ZINC000027285054 557259800 /nfs/dbraw/zinc/25/98/00/557259800.db2.gz SGFJJTWBCXCULW-SIKLNZKXSA-N 0 0 448.523 2.698 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000101125888 557261441 /nfs/dbraw/zinc/26/14/41/557261441.db2.gz IBNDXLOODJGBRG-HKUYNNGSSA-N 0 0 441.871 2.954 50 0 IFAARN CC(C)NC(=O)C1CCN(C(=O)[C@@H](C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1 ZINC000000819459 557262771 /nfs/dbraw/zinc/26/27/71/557262771.db2.gz UYGDHPWLMAPBIR-HXUWFJFHSA-N 0 0 443.931 2.689 50 0 IFAARN Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)N2CCC(C(N)=O)CC2)c2ccccc2n1C ZINC000027489037 557262859 /nfs/dbraw/zinc/26/28/59/557262859.db2.gz LTDSECZBJCUHQJ-DEOSSOPVSA-N 0 0 444.535 2.756 50 0 IFAARN CCOc1ncccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000027514210 557263112 /nfs/dbraw/zinc/26/31/12/557263112.db2.gz HZKYLFWDYGIVKU-UHFFFAOYSA-N 0 0 425.457 2.798 50 0 IFAARN COc1ccccc1OCC(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2C)s1 ZINC000027664688 557270610 /nfs/dbraw/zinc/27/06/10/557270610.db2.gz SGTKUNAXTRUWNL-UHFFFAOYSA-N 0 0 433.511 2.847 50 0 IFAARN CCOC(=O)C1=C(Cn2cnc3ccc(Cl)cc3c2=O)NC(=O)N[C@H]1c1ccco1 ZINC000027734364 557271981 /nfs/dbraw/zinc/27/19/81/557271981.db2.gz QUYSDOCEMUOGKH-KRWDZBQOSA-N 0 0 428.832 2.514 50 0 IFAARN C[C@@H]1c2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc3c2N(CCC3)C1=O ZINC000101331344 557274057 /nfs/dbraw/zinc/27/40/57/557274057.db2.gz YXAQJXPKTAZXIH-OAHLLOKOSA-N 0 0 429.517 2.733 50 0 IFAARN COc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)N4CCCN4[C@@H]3C2=O)cc1 ZINC000100816679 557276693 /nfs/dbraw/zinc/27/66/93/557276693.db2.gz OCXOEGZKKXKHMB-FHWLQOOXSA-N 0 0 442.313 2.993 50 0 IFAARN O=C(CN1c2cccnc2Oc2ccccc2C1=O)N1CCN(Cc2cccnc2)CC1 ZINC000101367052 557277780 /nfs/dbraw/zinc/27/77/80/557277780.db2.gz BSKYEHXQVLBPMP-UHFFFAOYSA-N 0 0 429.480 2.574 50 0 IFAARN CC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@H]1c1ccc(Br)cc1 ZINC000101456001 557286394 /nfs/dbraw/zinc/28/63/94/557286394.db2.gz CFDFKTUQYUVIQB-ZDUSSCGKSA-N 0 0 437.319 2.619 50 0 IFAARN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCCCN(CC)c2cccc(C)c2)CC1 ZINC000101535652 557291041 /nfs/dbraw/zinc/29/10/41/557291041.db2.gz UNJDNLXMANBJAE-UHFFFAOYSA-N 0 0 442.560 2.952 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000101513805 557293466 /nfs/dbraw/zinc/29/34/66/557293466.db2.gz WFPYHBYBIXXFGM-BGYRXZFFSA-N 0 0 440.477 2.868 50 0 IFAARN O=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)c1ccc(F)cc1 ZINC000011666314 557296400 /nfs/dbraw/zinc/29/64/00/557296400.db2.gz JAQMHQWFIBDEJT-UHFFFAOYSA-N 0 0 440.456 2.972 50 0 IFAARN CCOC(=O)C(C=Nc1ccc([C@@](O)(C(=O)OCC)C(F)(F)F)cc1C)C(=O)OCC ZINC000102069344 557298290 /nfs/dbraw/zinc/29/82/90/557298290.db2.gz IQLYUQNVUYSHJC-LJQANCHMSA-N 0 0 447.406 2.730 50 0 IFAARN CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)COc2ccccc2)cc1 ZINC000101802350 557298858 /nfs/dbraw/zinc/29/88/58/557298858.db2.gz QKBVQNPNPGHUKD-UHFFFAOYSA-N 0 0 433.468 2.737 50 0 IFAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Br)s1 ZINC000014123435 557306202 /nfs/dbraw/zinc/30/62/02/557306202.db2.gz RJWUMWATSRVLOZ-UHFFFAOYSA-N 0 0 449.323 2.923 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)=O)cc2OC)cc1 ZINC000014136370 557309299 /nfs/dbraw/zinc/30/92/99/557309299.db2.gz ZUKIWMVUAZCRJS-UHFFFAOYSA-N 0 0 434.514 2.946 50 0 IFAARN CC1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014141774 557310429 /nfs/dbraw/zinc/31/04/29/557310429.db2.gz VKUPANNQNQRMHP-HXUWFJFHSA-N 0 0 444.553 2.606 50 0 IFAARN C[C@H](NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 ZINC000014161173 557311870 /nfs/dbraw/zinc/31/18/70/557311870.db2.gz GCNOHPDPBZYRGZ-KBXCAEBGSA-N 0 0 444.582 2.958 50 0 IFAARN O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)NC(=O)NCCC1=CCCCC1 ZINC000014162208 557312121 /nfs/dbraw/zinc/31/21/21/557312121.db2.gz LPAYWRXLEZKHAZ-UHFFFAOYSA-N 0 0 429.546 2.623 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc(Cl)c1F ZINC000032404476 557313508 /nfs/dbraw/zinc/31/35/08/557313508.db2.gz IUQFHFJPEWZDQR-UHFFFAOYSA-N 0 0 428.869 2.900 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000032764462 557315208 /nfs/dbraw/zinc/31/52/08/557315208.db2.gz GRMSYHHWYBBLCF-AWEZNQCLSA-N 0 0 448.317 2.958 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1C ZINC000102213512 557315547 /nfs/dbraw/zinc/31/55/47/557315547.db2.gz IENXUKKITSQZFI-UWVAXJGDSA-N 0 0 436.574 2.959 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)[C@H]1C ZINC000251835892 557316252 /nfs/dbraw/zinc/31/62/52/557316252.db2.gz NSSUXYQMXSEYIM-GUXCAODWSA-N 0 0 445.585 2.878 50 0 IFAARN O=C(NCc1nnc2n1CCC2)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000032873612 557316497 /nfs/dbraw/zinc/31/64/97/557316497.db2.gz BUBSLTPBBVKKJW-UHFFFAOYSA-N 0 0 428.846 2.824 50 0 IFAARN CCOC(=O)C1=C(COc2ccc(Br)cc2Br)NC(=O)NC1 ZINC000014211731 557318602 /nfs/dbraw/zinc/31/86/02/557318602.db2.gz QBPAHZHLOSTRPN-UHFFFAOYSA-N 0 0 434.084 2.720 50 0 IFAARN COc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 ZINC000102321286 557319066 /nfs/dbraw/zinc/31/90/66/557319066.db2.gz SZRSFSBFNZSHFC-WOJBJXKFSA-N 0 0 433.464 2.837 50 0 IFAARN Cc1cc(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)ccc1Br ZINC000023990049 557320664 /nfs/dbraw/zinc/32/06/64/557320664.db2.gz SDGVNAZFFJCCNQ-KRWDZBQOSA-N 0 0 439.375 2.937 50 0 IFAARN Cc1ccc(Cl)c(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1Cl ZINC000102396633 557320663 /nfs/dbraw/zinc/32/06/63/557320663.db2.gz QZUZMKDCPQFRDE-TXEJJXNPSA-N 0 0 427.284 2.959 50 0 IFAARN CC[C@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)ccc21 ZINC000033023120 557321341 /nfs/dbraw/zinc/32/13/41/557321341.db2.gz VQZIZYBDRVCTMF-HNNXBMFYSA-N 0 0 433.578 2.862 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000033037569 557322727 /nfs/dbraw/zinc/32/27/27/557322727.db2.gz LZLLXXGJXRUTOQ-UHFFFAOYSA-N 0 0 442.516 2.581 50 0 IFAARN COC(=O)C[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1Cl ZINC000011668776 557327275 /nfs/dbraw/zinc/32/72/75/557327275.db2.gz TVBJIIPILUCJIX-GOSISDBHSA-N 0 0 436.917 2.914 50 0 IFAARN COc1ccc(OC)c([C@H]2CCCN2CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000014244651 557328533 /nfs/dbraw/zinc/32/85/33/557328533.db2.gz ZSBSVEFGLRPPEU-GOSISDBHSA-N 0 0 441.484 2.960 50 0 IFAARN CC1CCN(c2ccc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)nn2)CC1 ZINC000033256254 557329413 /nfs/dbraw/zinc/32/94/13/557329413.db2.gz OWJNOTLUSVJAJR-UHFFFAOYSA-N 0 0 449.603 2.673 50 0 IFAARN O=C(NCc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1 ZINC000033262261 557329672 /nfs/dbraw/zinc/32/96/72/557329672.db2.gz LDGVLYYLIFNSGC-OAHLLOKOSA-N 0 0 432.477 2.526 50 0 IFAARN Cc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1 ZINC000033262320 557329743 /nfs/dbraw/zinc/32/97/43/557329743.db2.gz CFDHYPAFZJCZTK-KRWDZBQOSA-N 0 0 428.514 2.695 50 0 IFAARN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000014247763 557329774 /nfs/dbraw/zinc/32/97/74/557329774.db2.gz CSRQNDRBZJHOMK-SFHVURJKSA-N 0 0 445.585 2.526 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)n2)cc1OC ZINC000102465219 557330000 /nfs/dbraw/zinc/33/00/00/557330000.db2.gz BBTRNGCKYMSWCU-OKILXGFUSA-N 0 0 429.498 2.941 50 0 IFAARN COc1ccc(N2C[C@@H](c3nnc(NC(=O)COc4ccc(F)cc4)o3)CC2=O)cc1 ZINC000033290733 557330174 /nfs/dbraw/zinc/33/01/74/557330174.db2.gz XBZJCSNOIJKFGW-ZDUSSCGKSA-N 0 0 426.404 2.755 50 0 IFAARN O=C(NCc1ccccc1)c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000033292348 557330220 /nfs/dbraw/zinc/33/02/20/557330220.db2.gz SLDKDDHJWIKPHT-UHFFFAOYSA-N 0 0 426.498 2.841 50 0 IFAARN Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(C(=O)c1ccccc1)C2 ZINC000014531411 557339687 /nfs/dbraw/zinc/33/96/87/557339687.db2.gz PHZCAGOANMKPNY-UHFFFAOYSA-N 0 0 435.553 2.981 50 0 IFAARN COc1cccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1OC ZINC000014666992 557347380 /nfs/dbraw/zinc/34/73/80/557347380.db2.gz HIFBKICUMYRJPL-UHFFFAOYSA-N 0 0 437.489 2.987 50 0 IFAARN Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1-n1cccc1 ZINC000011674258 557347388 /nfs/dbraw/zinc/34/73/88/557347388.db2.gz DMBPPDFPSZNSAM-UHFFFAOYSA-N 0 0 441.509 2.765 50 0 IFAARN CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000011689706 557368137 /nfs/dbraw/zinc/36/81/37/557368137.db2.gz KAUDLHMWVQKUCD-UHFFFAOYSA-N 0 0 432.420 2.664 50 0 IFAARN O=C(Cn1c2cccnc2c(=O)n(CCc2ccccc2)c1=O)N1CCCc2ccccc21 ZINC000023809060 557375886 /nfs/dbraw/zinc/37/58/86/557375886.db2.gz USZXLPIRKLFPHI-UHFFFAOYSA-N 0 0 440.503 2.780 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cccc(I)c1 ZINC000102804053 557385981 /nfs/dbraw/zinc/38/59/81/557385981.db2.gz VCWRXYGZYQWZOW-OKILXGFUSA-N 0 0 426.254 2.795 50 0 IFAARN O=C(CCn1ccc2ccc(F)cc21)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000013690664 557386438 /nfs/dbraw/zinc/38/64/38/557386438.db2.gz MJLCLPFFKWUEBS-QFIPXVFZSA-N 0 0 437.471 2.681 50 0 IFAARN COc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 ZINC000024022548 557391188 /nfs/dbraw/zinc/39/11/88/557391188.db2.gz HIXNNUHBSYHEAU-UHFFFAOYSA-N 0 0 439.472 2.903 50 0 IFAARN Cc1ccc(CN2C(=O)NC3(CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)C2=O)cc1 ZINC000011694160 557392199 /nfs/dbraw/zinc/39/21/99/557392199.db2.gz JYIYLXOLFWIPDO-UHFFFAOYSA-N 0 0 441.553 2.887 50 0 IFAARN O=C(COc1ccc(F)cc1F)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 ZINC000011694586 557392585 /nfs/dbraw/zinc/39/25/85/557392585.db2.gz BANXZNGIHCYZIB-UHFFFAOYSA-N 0 0 443.385 2.783 50 0 IFAARN COCCCNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000011696095 557393880 /nfs/dbraw/zinc/39/38/80/557393880.db2.gz UUVKYJWOQKBXMG-QGZVFWFLSA-N 0 0 442.541 2.533 50 0 IFAARN Cc1cc(OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c2c(C)c(C)c(=O)oc2c1 ZINC000072400319 557394129 /nfs/dbraw/zinc/39/41/29/557394129.db2.gz ZKHYCOUAGHYZRV-KRWDZBQOSA-N 0 0 435.542 2.769 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc2c(c1)OCCO2 ZINC000024067310 557394822 /nfs/dbraw/zinc/39/48/22/557394822.db2.gz FYBNOXKYJXCUMG-HUYGQZFBSA-N 0 0 429.517 2.772 50 0 IFAARN COc1cccc([C@@]2(C)NC(=O)N(C[C@H](O)COc3cccc(Br)c3)C2=O)c1 ZINC000024086922 557395424 /nfs/dbraw/zinc/39/54/24/557395424.db2.gz YETOCZQFJRDXBO-MGPUTAFESA-N 0 0 449.301 2.665 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 ZINC000013955788 557397557 /nfs/dbraw/zinc/39/75/57/557397557.db2.gz OUFQLVZNDWUZPI-UHFFFAOYSA-N 0 0 429.477 2.624 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(S[C@@H](C)C(=O)NC3CCCCC3)n2C)cc1 ZINC000013956402 557398285 /nfs/dbraw/zinc/39/82/85/557398285.db2.gz AUXYIQCVSORMCD-AWEZNQCLSA-N 0 0 431.562 2.683 50 0 IFAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000102858772 557399384 /nfs/dbraw/zinc/39/93/84/557399384.db2.gz JMGMPYKPDRIXKE-CHWSQXEVSA-N 0 0 438.311 2.732 50 0 IFAARN Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000004906084 557403249 /nfs/dbraw/zinc/40/32/49/557403249.db2.gz AMHWQDJTZFWVGM-LJQANCHMSA-N 0 0 425.558 2.892 50 0 IFAARN COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NCC[NH+]4CCCC4)c3=O)c2c1 ZINC000100451541 557403524 /nfs/dbraw/zinc/40/35/24/557403524.db2.gz ABRYDOSFOASSTA-UHFFFAOYSA-N 0 0 443.573 2.931 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccccc1I ZINC000102881958 557408058 /nfs/dbraw/zinc/40/80/58/557408058.db2.gz CUQKJLNRPOQWPH-TXEJJXNPSA-N 0 0 426.254 2.795 50 0 IFAARN NC(=O)COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2cccs2)cc1 ZINC000102899704 557411448 /nfs/dbraw/zinc/41/14/48/557411448.db2.gz YELHAMZDHHNJDO-WMZHIEFXSA-N 0 0 447.472 2.693 50 0 IFAARN COc1cc(CNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1OCc1ccccc1 ZINC000103138379 557422088 /nfs/dbraw/zinc/42/20/88/557422088.db2.gz YLAUDMHCLYLUEP-PMACEKPBSA-N 0 0 434.492 2.842 50 0 IFAARN Cc1c(Cl)cnc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1Cl ZINC000103332534 557433834 /nfs/dbraw/zinc/43/38/34/557433834.db2.gz NGAQCJFKGIFDTB-SRVKXCTJSA-N 0 0 442.299 2.742 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)[C@H]1C ZINC000103949126 557442814 /nfs/dbraw/zinc/44/28/14/557442814.db2.gz PULUHJFNAOMXCH-RYRKJORJSA-N 0 0 427.998 2.587 50 0 IFAARN CCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1=O ZINC000096396680 557452198 /nfs/dbraw/zinc/45/21/98/557452198.db2.gz PGHUNABCURGJSA-UHFFFAOYSA-N 0 0 433.921 2.584 50 0 IFAARN COc1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)c1OC ZINC000097943847 557453307 /nfs/dbraw/zinc/45/33/07/557453307.db2.gz PJRBKJYVXXBAHF-DEOSSOPVSA-N 0 0 437.496 2.739 50 0 IFAARN CC(C)Cn1c2cnccc2nc(N2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)c1=O ZINC000097945068 557453661 /nfs/dbraw/zinc/45/36/61/557453661.db2.gz YXBOFIFBQWPOEP-UHFFFAOYSA-N 0 0 430.512 2.891 50 0 IFAARN Cn1ncc2c1ncn(CCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl)c2=O ZINC000014800608 557456677 /nfs/dbraw/zinc/45/66/77/557456677.db2.gz NWZGNCJEEXUZHA-UHFFFAOYSA-N 0 0 446.298 2.710 50 0 IFAARN O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1ccc(N2CCOCC2)nc1 ZINC000014803306 557457054 /nfs/dbraw/zinc/45/70/54/557457054.db2.gz XQCVQKSAHBILCY-UHFFFAOYSA-N 0 0 435.234 2.681 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)cc1 ZINC000085690618 557458920 /nfs/dbraw/zinc/45/89/20/557458920.db2.gz UWOHFWYXXAVNIJ-KRWDZBQOSA-N 0 0 432.484 2.921 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)cc1OC ZINC000085690410 557458981 /nfs/dbraw/zinc/45/89/81/557458981.db2.gz LRRXKMFBGRKFTL-INIZCTEOSA-N 0 0 435.484 2.980 50 0 IFAARN CC(=O)C[C@@H]1N(C2CCCCCC2)C(=O)[C@@H]2N(C3CCCCC3)C(=O)[C@H]3CC(=O)O[C@]231 ZINC000104779570 557461778 /nfs/dbraw/zinc/46/17/78/557461778.db2.gz PDZJHBREDMLRBA-RLIDHQHUSA-N 0 0 430.545 2.745 50 0 IFAARN COc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2nccs2)cc1Cl ZINC000051316646 557465053 /nfs/dbraw/zinc/46/50/53/557465053.db2.gz KOSQNXHZEUQTNZ-UHFFFAOYSA-N 0 0 448.917 2.958 50 0 IFAARN COc1cc(OC)c(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)cc1Cl ZINC000051316873 557465833 /nfs/dbraw/zinc/46/58/33/557465833.db2.gz WLZMSHCHZWIGNI-UHFFFAOYSA-N 0 0 445.888 2.929 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000104939456 557466117 /nfs/dbraw/zinc/46/61/17/557466117.db2.gz PAPJJDQASXCGHV-OXJNMPFZSA-N 0 0 447.507 2.614 50 0 IFAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](C)O ZINC000105004017 557471189 /nfs/dbraw/zinc/47/11/89/557471189.db2.gz JJZKUCMBOJFLHU-GHTZIAJQSA-N 0 0 432.586 2.891 50 0 IFAARN CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000019201497 557497769 /nfs/dbraw/zinc/49/77/69/557497769.db2.gz HLGZUBWHWHNEGW-UHFFFAOYSA-N 0 0 444.586 2.985 50 0 IFAARN COC(=O)c1ccc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000018372704 557499978 /nfs/dbraw/zinc/49/99/78/557499978.db2.gz DQGKTOUZCAXUEE-XNKRGLCLSA-N 0 0 441.524 2.695 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(COc2ccc(C)cc2C)n1N ZINC000018372587 557500007 /nfs/dbraw/zinc/50/00/07/557500007.db2.gz QNMIQBARMBHSKO-HNNXBMFYSA-N 0 0 429.550 2.657 50 0 IFAARN COc1cccc([C@H](CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)N(C)C)c1 ZINC000105531651 557507345 /nfs/dbraw/zinc/50/73/45/557507345.db2.gz ALEWYHKOYUJCTI-QRQCRPRQSA-N 0 0 431.558 2.574 50 0 IFAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000105772127 557510943 /nfs/dbraw/zinc/51/09/43/557510943.db2.gz IWJDJQMESSMPDI-OTWHNJEPSA-N 0 0 446.569 2.676 50 0 IFAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@H]4C2=O)no1 ZINC000106022114 557512444 /nfs/dbraw/zinc/51/24/44/557512444.db2.gz DIWBIBLNZXIFIW-DFYYWFRZSA-N 0 0 434.279 2.893 50 0 IFAARN C[C@@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc2c(c1)OCCO2 ZINC000110539595 557514593 /nfs/dbraw/zinc/51/45/93/557514593.db2.gz FYBNOXKYJXCUMG-GGOJBBCOSA-N 0 0 429.517 2.772 50 0 IFAARN Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)o1 ZINC000018416988 557519438 /nfs/dbraw/zinc/51/94/38/557519438.db2.gz OYHFCSNPUJVGSV-LJQANCHMSA-N 0 0 434.290 2.776 50 0 IFAARN O=C(C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019817574 557522573 /nfs/dbraw/zinc/52/25/73/557522573.db2.gz ZGQSDRDEQWKIGV-APWZRJJASA-N 0 0 448.479 2.903 50 0 IFAARN O=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019817570 557522715 /nfs/dbraw/zinc/52/27/15/557522715.db2.gz ZGQSDRDEQWKIGV-LPHOPBHVSA-N 0 0 448.479 2.903 50 0 IFAARN CCOC(=O)[C@@H]1[C@H](c2c(OC)ccc3ccccc32)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000106213748 557523260 /nfs/dbraw/zinc/52/32/60/557523260.db2.gz SAOWSHFBPDQXGO-MPGHIAIKSA-N 0 0 428.432 2.797 50 0 IFAARN Nc1nc(SCC(=O)Nc2ccc(F)cc2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 ZINC000012033468 557524590 /nfs/dbraw/zinc/52/45/90/557524590.db2.gz JWUPZVPHWSOKDK-UHFFFAOYSA-N 0 0 449.414 2.753 50 0 IFAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1Cl ZINC000012029732 557524897 /nfs/dbraw/zinc/52/48/97/557524897.db2.gz QILGFGZLPWIUMW-OAHLLOKOSA-N 0 0 443.930 2.562 50 0 IFAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012029821 557524902 /nfs/dbraw/zinc/52/49/02/557524902.db2.gz HCRCFROMUAOMOU-MRXNPFEDSA-N 0 0 447.456 2.919 50 0 IFAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000012068950 557526197 /nfs/dbraw/zinc/52/61/97/557526197.db2.gz IXCKXMLUEAJMGP-UHFFFAOYSA-N 0 0 444.601 2.772 50 0 IFAARN COc1ccc(CCC(=O)NCCn2ncc3c2ncn(Cc2ccccc2C)c3=O)cc1 ZINC000012072203 557527110 /nfs/dbraw/zinc/52/71/10/557527110.db2.gz LHOOLCYVPHHNJC-UHFFFAOYSA-N 0 0 445.523 2.707 50 0 IFAARN CNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)ccc21 ZINC000106313322 557528070 /nfs/dbraw/zinc/52/80/70/557528070.db2.gz YSAYQBDFPFIUMK-QGZVFWFLSA-N 0 0 428.558 2.596 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1F)O[C@@H](C)C(=O)N2 ZINC000106324835 557528214 /nfs/dbraw/zinc/52/82/14/557528214.db2.gz JVSBOZOWJPAVMC-GUYCJALGSA-N 0 0 447.488 2.645 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1F)O[C@@H](C)C(=O)N2 ZINC000106324836 557528268 /nfs/dbraw/zinc/52/82/68/557528268.db2.gz JVSBOZOWJPAVMC-SUMWQHHRSA-N 0 0 447.488 2.645 50 0 IFAARN COc1ccc([C@H]2[C@@H](S(=O)(=O)NCC3CC3)CON2C)cc1OCc1ccccc1 ZINC000106610848 557530404 /nfs/dbraw/zinc/53/04/04/557530404.db2.gz CQFZEABZDVSLNV-VXKWHMMOSA-N 0 0 432.542 2.890 50 0 IFAARN Cn1c2cc(S(=O)(=O)NCC3(Sc4ccccc4)CCOCC3)ccc2oc1=O ZINC000211072036 557533068 /nfs/dbraw/zinc/53/30/68/557533068.db2.gz IHMCVIGHUAWTHM-UHFFFAOYSA-N 0 0 434.539 2.751 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000211109778 557533966 /nfs/dbraw/zinc/53/39/66/557533966.db2.gz GOMNXNASYNJMIX-UHFFFAOYSA-N 0 0 440.521 2.773 50 0 IFAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O ZINC000044839915 557539168 /nfs/dbraw/zinc/53/91/68/557539168.db2.gz AQODEMMESNKBTA-MRXNPFEDSA-N 0 0 439.512 2.510 50 0 IFAARN CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)Nc2ccc(Cn3cncn3)cc2)s1 ZINC000044902892 557540396 /nfs/dbraw/zinc/54/03/96/557540396.db2.gz GDLAKHILQONJHP-SFHVURJKSA-N 0 0 440.529 2.876 50 0 IFAARN CC(C)CCC[C@@H](C)NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000044921387 557541154 /nfs/dbraw/zinc/54/11/54/557541154.db2.gz FTEHIELAEPTDOH-HXUWFJFHSA-N 0 0 425.577 2.901 50 0 IFAARN CSCC[C@@H](NC(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1)c1nnc2ccccn21 ZINC000108514031 557542973 /nfs/dbraw/zinc/54/29/73/557542973.db2.gz FIROJLYMDIRMDX-ZWKOTPCHSA-N 0 0 439.589 2.963 50 0 IFAARN O=C(CSc1n[nH]c(=O)c2cc(-c3cccs3)nn21)Nc1ccc2c(c1)OCO2 ZINC000045938843 557548219 /nfs/dbraw/zinc/54/82/19/557548219.db2.gz PNSSHDKRSWYOKI-UHFFFAOYSA-N 0 0 427.467 2.606 50 0 IFAARN COC(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4cccs4)nn32)cc1 ZINC000045925865 557550327 /nfs/dbraw/zinc/55/03/27/557550327.db2.gz JRQSHTSAGZZETQ-UHFFFAOYSA-N 0 0 441.494 2.664 50 0 IFAARN COc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)NC4CCCCC4)n3n2)cc1OC ZINC000045925772 557550340 /nfs/dbraw/zinc/55/03/40/557550340.db2.gz LQDAPTOYBIOGRA-UHFFFAOYSA-N 0 0 443.529 2.643 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)OCO3)C(=O)CS2 ZINC000045960882 557554807 /nfs/dbraw/zinc/55/48/07/557554807.db2.gz BDJIZQKIXSLAEO-UHFFFAOYSA-N 0 0 441.509 2.975 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2C1=O)OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000040161678 557709608 /nfs/dbraw/zinc/70/96/08/557709608.db2.gz AJYWPDADLYOJIT-UHFFFAOYSA-N 0 0 445.353 2.671 50 0 IFAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NCC1(S(C)(=O)=O)CC1 ZINC000225428459 557722177 /nfs/dbraw/zinc/72/21/77/557722177.db2.gz BQJHRMMZILCCDI-UHFFFAOYSA-N 0 0 429.464 2.744 50 0 IFAARN O=C(COC[C@@H]1CCCO1)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000225444887 557723511 /nfs/dbraw/zinc/72/35/11/557723511.db2.gz GUUDAYOWHOQDLL-FZMZJTMJSA-N 0 0 426.229 2.813 50 0 IFAARN Cc1sc2nc(CS[C@@H](C)C(=O)NC3(CO)Cc4ccccc4C3)[nH]c(=O)c2c1C ZINC000225444605 557723570 /nfs/dbraw/zinc/72/35/70/557723570.db2.gz KSCXDDRUFQOADX-AWEZNQCLSA-N 0 0 443.594 2.869 50 0 IFAARN COCCn1cc([C@@H]2[C@H](C(=O)Nc3cnc(C4CC4)nc3)CC(=O)N2C(C)(C)C)cn1 ZINC000225455496 557724797 /nfs/dbraw/zinc/72/47/97/557724797.db2.gz GOHXDNLGRBIDMB-IEBWSBKVSA-N 0 0 426.521 2.524 50 0 IFAARN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000225490342 557729217 /nfs/dbraw/zinc/72/92/17/557729217.db2.gz PGTXHTARFHGQJG-UHFFFAOYSA-N 0 0 441.919 2.877 50 0 IFAARN CS(=O)(=O)CC[C@H](c1nc(-c2ccccc2F)no1)N1C(=O)c2ccccc2C1=O ZINC000225525762 557736010 /nfs/dbraw/zinc/73/60/10/557736010.db2.gz XXMGYNBZTMFIEI-MRXNPFEDSA-N 0 0 429.429 2.648 50 0 IFAARN COC1CCN(C(=O)NC[C@H](NC(=O)N2CCC(OC)CC2)[C@@H](C)c2ccccc2)CC1 ZINC000225829210 557782277 /nfs/dbraw/zinc/78/22/77/557782277.db2.gz MIZYQKAFJUCSOU-AVRDEDQJSA-N 0 0 446.592 2.800 50 0 IFAARN COC1CCN(C(=O)NC[C@H](NC(=O)N2CCC(OC)CC2)[C@H](C)c2ccccc2)CC1 ZINC000225829175 557782290 /nfs/dbraw/zinc/78/22/90/557782290.db2.gz MIZYQKAFJUCSOU-GCJKJVERSA-N 0 0 446.592 2.800 50 0 IFAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCOc1ccc(Cl)cc1)C=C2 ZINC000226848579 557809901 /nfs/dbraw/zinc/80/99/01/557809901.db2.gz GYWFWDFMPOBWPH-UHFFFAOYSA-N 0 0 430.888 2.908 50 0 IFAARN Cc1nc2[nH]cnn2c(=O)c1CCC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1 ZINC000226848213 557809941 /nfs/dbraw/zinc/80/99/41/557809941.db2.gz XNOJCESXXBKQNX-UHFFFAOYSA-N 0 0 428.537 2.862 50 0 IFAARN C[C@H](NC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)c1ccc2c(c1)OCCO2 ZINC000227829825 557828661 /nfs/dbraw/zinc/82/86/61/557828661.db2.gz TWIMERKDCUROMU-BEVDRBHNSA-N 0 0 447.491 2.909 50 0 IFAARN Cc1csc2nc(COC(=O)c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)cc(=O)n12 ZINC000018525701 557829111 /nfs/dbraw/zinc/82/91/11/557829111.db2.gz CILPOCWZDCBEEY-UHFFFAOYSA-N 0 0 442.884 2.929 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)cc2)CC1 ZINC000024988967 557829990 /nfs/dbraw/zinc/82/99/90/557829990.db2.gz BDTHBFPQNWPQGT-GOSISDBHSA-N 0 0 431.558 2.727 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC4(CC3)OCCO4)c2)cc1F ZINC000024995101 557830345 /nfs/dbraw/zinc/83/03/45/557830345.db2.gz XMYWTGRTZKIBDK-UHFFFAOYSA-N 0 0 434.489 2.914 50 0 IFAARN CC[C@H](C)N(C(=O)COC(=O)c1csc2c1CC[C@@H](C)C2)[C@H]1CCS(=O)(=O)C1 ZINC000229995812 557835154 /nfs/dbraw/zinc/83/51/54/557835154.db2.gz TYKILEMHHKDAHO-ILXRZTDVSA-N 0 0 427.588 2.844 50 0 IFAARN COc1cc2[nH]c(=O)n(CCCCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c2cc1OC ZINC000085942227 557835562 /nfs/dbraw/zinc/83/55/62/557835562.db2.gz HTDYUCMOKMOXQE-BFYDXBDKSA-N 0 0 431.533 2.818 50 0 IFAARN O=C(C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000239287512 557843648 /nfs/dbraw/zinc/84/36/48/557843648.db2.gz CXEOPBGOOGVGNI-SMIHKQSGSA-N 0 0 446.595 2.710 50 0 IFAARN O=C(NCc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000242302278 557847552 /nfs/dbraw/zinc/84/75/52/557847552.db2.gz YRAAKJZIRSWGGY-MRXNPFEDSA-N 0 0 429.325 2.699 50 0 IFAARN CC(=O)N[C@@H](CC(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21)c1ccc(C)cc1 ZINC000242389408 557847750 /nfs/dbraw/zinc/84/77/50/557847750.db2.gz ZXAHMIWDSUTFRP-GPXNEJASSA-N 0 0 447.535 2.739 50 0 IFAARN COc1ccc(C)cc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 ZINC000000886659 557855746 /nfs/dbraw/zinc/85/57/46/557855746.db2.gz SWXOXVOZGRLAAO-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN O=C(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Br)cc1 ZINC000001023636 562920035 /nfs/dbraw/zinc/92/00/35/562920035.db2.gz BJWXNJXPBSQTEG-NVXWUHKLSA-N 0 0 448.269 2.809 50 0 IFAARN O=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000001078771 562920321 /nfs/dbraw/zinc/92/03/21/562920321.db2.gz LWXRDJGGFLSGRM-OAHLLOKOSA-N 0 0 438.347 2.561 50 0 IFAARN Cn1c2nc(Oc3ccc4c(c3)OCO4)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000001133149 562920671 /nfs/dbraw/zinc/92/06/71/562920671.db2.gz MGCHPUBURHMNSG-UHFFFAOYSA-N 0 0 440.843 2.656 50 0 IFAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC4)CC(=O)N32)cc1 ZINC000002122713 562925971 /nfs/dbraw/zinc/92/59/71/562925971.db2.gz FMGUJKLXQXGZDI-REWPJTCUSA-N 0 0 429.476 2.802 50 0 IFAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(C(=O)OC)cc3)N2C1=O ZINC000002247691 562926565 /nfs/dbraw/zinc/92/65/65/562926565.db2.gz GJVSZPHCDCMKTK-RDJZCZTQSA-N 0 0 432.498 2.702 50 0 IFAARN NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCCCC3 ZINC000002270529 562926706 /nfs/dbraw/zinc/92/67/06/562926706.db2.gz ILNZPCHQXNINAG-UHFFFAOYSA-N 0 0 425.539 2.941 50 0 IFAARN CC[C@H](C)NC(=O)c1oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1C ZINC000002459767 562928020 /nfs/dbraw/zinc/92/80/20/562928020.db2.gz DDVFIDDURAVDJZ-AWEZNQCLSA-N 0 0 436.530 2.797 50 0 IFAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)NC[C@H]1CCCO1 ZINC000002459547 562928030 /nfs/dbraw/zinc/92/80/30/562928030.db2.gz SGWJMKCMBVABEB-CQSZACIVSA-N 0 0 437.974 2.921 50 0 IFAARN COc1ccc(CN(C)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c(OC)c1OC ZINC000002651002 562929298 /nfs/dbraw/zinc/92/92/98/562929298.db2.gz DCEHLNMZSWTNAP-UHFFFAOYSA-N 0 0 429.473 2.598 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000002657302 562929496 /nfs/dbraw/zinc/92/94/96/562929496.db2.gz ZNMADMSPOIFMEC-NRFANRHFSA-N 0 0 429.542 2.705 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1C ZINC000002664294 562929707 /nfs/dbraw/zinc/92/97/07/562929707.db2.gz BBKDUOXVWXVELB-QGZVFWFLSA-N 0 0 426.469 2.583 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000003051292 562932258 /nfs/dbraw/zinc/93/22/58/562932258.db2.gz JPMKEAADNGEOIE-UHFFFAOYSA-N 0 0 430.526 2.816 50 0 IFAARN CC(=O)Oc1ccc(-c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1 ZINC000003217141 562932904 /nfs/dbraw/zinc/93/29/04/562932904.db2.gz ZBSHLSRVVBPSSW-UHFFFAOYSA-N 0 0 438.505 2.899 50 0 IFAARN COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000003326816 562934290 /nfs/dbraw/zinc/93/42/90/562934290.db2.gz UITYQRROVRICNT-LJQANCHMSA-N 0 0 430.526 2.524 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)cc1 ZINC000003340720 562934455 /nfs/dbraw/zinc/93/44/55/562934455.db2.gz DYRKKPQWIITCRN-QGZVFWFLSA-N 0 0 426.535 2.551 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000003354531 562934671 /nfs/dbraw/zinc/93/46/71/562934671.db2.gz IDXYZDLGYPSDQJ-IBGZPJMESA-N 0 0 441.553 2.501 50 0 IFAARN COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1 ZINC000003413311 562935415 /nfs/dbraw/zinc/93/54/15/562935415.db2.gz VGTVAJHVLOLDTC-UHFFFAOYSA-N 0 0 431.558 2.518 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2CCCO)n1 ZINC000003455080 562936092 /nfs/dbraw/zinc/93/60/92/562936092.db2.gz WTKGKMFCCKUNTN-UHFFFAOYSA-N 0 0 449.540 2.890 50 0 IFAARN COc1ccccc1NC(=O)Cc1noc(CSc2nnnn2-c2cccc(C)c2)n1 ZINC000003533798 562936411 /nfs/dbraw/zinc/93/64/11/562936411.db2.gz VPOLYYFYNJXZKX-UHFFFAOYSA-N 0 0 437.485 2.836 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1C ZINC000003545594 562936414 /nfs/dbraw/zinc/93/64/14/562936414.db2.gz VCLXULJAPVDLJZ-UHFFFAOYSA-N 0 0 449.891 2.716 50 0 IFAARN CN(C)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000004057647 562941360 /nfs/dbraw/zinc/94/13/60/562941360.db2.gz LBXGXBRKMNNCIQ-UHFFFAOYSA-N 0 0 428.492 2.916 50 0 aggregator IFAARN Cc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3cccc4nsnc43)sc2c1 ZINC000004099953 562941798 /nfs/dbraw/zinc/94/17/98/562941798.db2.gz QIEGLQBXHUPLRU-UHFFFAOYSA-N 0 0 433.540 2.869 50 0 IFAARN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000004111047 562942071 /nfs/dbraw/zinc/94/20/71/562942071.db2.gz OENMLNWKWWEYIZ-AWEZNQCLSA-N 0 0 430.486 2.579 50 0 IFAARN C[C@@H]1CCC[C@H](NC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)[C@@H]1C ZINC000004111690 562942146 /nfs/dbraw/zinc/94/21/46/562942146.db2.gz NSSUXYQMXSEYIM-QINHECLXSA-N 0 0 445.585 2.878 50 0 IFAARN CCN(C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c21)[C@H]1CCS(=O)(=O)C1 ZINC000004195375 562942609 /nfs/dbraw/zinc/94/26/09/562942609.db2.gz ZCXWTPJSCMRCLU-HNNXBMFYSA-N 0 0 449.529 2.912 50 0 IFAARN O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N1CCN(c2ccccc2)CC1 ZINC000006529665 562947023 /nfs/dbraw/zinc/94/70/23/562947023.db2.gz HSEDDFBNRBEBND-UHFFFAOYSA-N 0 0 431.525 2.627 50 0 IFAARN Cn1c2nc(N3CCC(Cc4ccccc4)CC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000006530365 562947095 /nfs/dbraw/zinc/94/70/95/562947095.db2.gz ZXGIJDFCDVNYKS-UHFFFAOYSA-N 0 0 429.524 2.931 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C1 ZINC000006531075 562947178 /nfs/dbraw/zinc/94/71/78/562947178.db2.gz JBFWJJPWKGSFID-HUUCEWRRSA-N 0 0 429.952 2.613 50 0 IFAARN C[C@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 ZINC000006531079 562947180 /nfs/dbraw/zinc/94/71/80/562947180.db2.gz YGWLDMTVPHQFIX-ZDUSSCGKSA-N 0 0 433.915 2.506 50 0 IFAARN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)C1 ZINC000006531114 562947198 /nfs/dbraw/zinc/94/71/98/562947198.db2.gz OQKHKCJTLDMZKT-CYBMUJFWSA-N 0 0 440.529 2.593 50 0 IFAARN Cc1oc(-c2ccccc2C)nc1CS(=O)(=O)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000006577513 562947658 /nfs/dbraw/zinc/94/76/58/562947658.db2.gz XFFQAPIJINGKRB-UHFFFAOYSA-N 0 0 442.493 2.918 50 0 IFAARN COc1ccc(C2=NO[C@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1OC ZINC000006577636 562947722 /nfs/dbraw/zinc/94/77/22/562947722.db2.gz JDTKWGLGXUWTFV-FQEVSTJZSA-N 0 0 436.468 2.633 50 0 IFAARN NS(=O)(=O)c1ccc(CCNc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000008583079 562949673 /nfs/dbraw/zinc/94/96/73/562949673.db2.gz VZLTUUMLBFGJCQ-UHFFFAOYSA-N 0 0 428.905 2.771 50 0 IFAARN COc1cccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000008583912 562949921 /nfs/dbraw/zinc/94/99/21/562949921.db2.gz JGXBBQDMDNUOLS-UHFFFAOYSA-N 0 0 427.526 2.751 50 0 IFAARN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1 ZINC000008584763 562949997 /nfs/dbraw/zinc/94/99/97/562949997.db2.gz IRUGXSLUUXNGHP-HXUWFJFHSA-N 0 0 426.494 2.536 50 0 IFAARN COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1C ZINC000008587439 562950258 /nfs/dbraw/zinc/95/02/58/562950258.db2.gz MMCIMBBMLLEGBB-UHFFFAOYSA-N 0 0 430.526 2.962 50 0 IFAARN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc32)cc1 ZINC000008587993 562950561 /nfs/dbraw/zinc/95/05/61/562950561.db2.gz PEWPOSZMTGDTFJ-JOCHJYFZSA-N 0 0 444.491 2.727 50 0 IFAARN CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2ccccc2F)n1)c1ccccc1Cl ZINC000008590710 562951792 /nfs/dbraw/zinc/95/17/92/562951792.db2.gz KZMRHDOUEZDNDX-KRWDZBQOSA-N 0 0 431.855 2.943 50 0 IFAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3C)c(=O)n1CC(=O)N1CCCC1)n2C ZINC000008592126 562952198 /nfs/dbraw/zinc/95/21/98/562952198.db2.gz AEEVIUPXUOCIOT-UHFFFAOYSA-N 0 0 446.507 2.584 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)COC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1 ZINC000008592257 562952292 /nfs/dbraw/zinc/95/22/92/562952292.db2.gz FMANFVJPMXTWJM-UHFFFAOYSA-N 0 0 437.452 2.697 50 0 IFAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3cccc(OC)c3)cc2C[C@H]1C ZINC000008595267 562953332 /nfs/dbraw/zinc/95/33/32/562953332.db2.gz SKYAGSDCVHNJMK-MRXNPFEDSA-N 0 0 444.553 2.863 50 0 IFAARN Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCOCC4)c(F)cc3c2=O)c(C)c1 ZINC000008596861 562953887 /nfs/dbraw/zinc/95/38/87/562953887.db2.gz UZWZHROGTFKFBP-UHFFFAOYSA-N 0 0 430.501 2.964 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)NCc1ccc(Cl)cc1 ZINC000008598779 562954427 /nfs/dbraw/zinc/95/44/27/562954427.db2.gz ZSKUHMWXMXHFEE-UHFFFAOYSA-N 0 0 435.933 2.600 50 0 IFAARN Cc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000008601399 562955272 /nfs/dbraw/zinc/95/52/72/562955272.db2.gz COORFHNBXZUYMW-FQEVSTJZSA-N 0 0 444.484 2.675 50 0 IFAARN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008601549 562955412 /nfs/dbraw/zinc/95/54/12/562955412.db2.gz RGQGXYVFPHIGLA-OAQYLSRUSA-N 0 0 440.521 2.844 50 0 IFAARN COC(=O)c1ccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1 ZINC000008601838 562955683 /nfs/dbraw/zinc/95/56/83/562955683.db2.gz WOWRZEPIFOMITM-UHFFFAOYSA-N 0 0 439.493 2.891 50 0 IFAARN CCc1nn(CC(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2cc3sc(C)cc3n21 ZINC000008605064 562956562 /nfs/dbraw/zinc/95/65/62/562956562.db2.gz CUGLWRBYKGKYGJ-UHFFFAOYSA-N 0 0 440.525 2.915 50 0 IFAARN COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)c1 ZINC000008609389 562957856 /nfs/dbraw/zinc/95/78/56/562957856.db2.gz YJNSGDCTWWIBTG-UHFFFAOYSA-N 0 0 441.553 2.904 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000008680483 562961600 /nfs/dbraw/zinc/96/16/00/562961600.db2.gz NCTYZGGMDBVRHZ-UHFFFAOYSA-N 0 0 435.527 2.881 50 0 IFAARN COc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)c(OC)c1OC ZINC000008687705 562963090 /nfs/dbraw/zinc/96/30/90/562963090.db2.gz CUTROJHXXUGJKD-WJDWOHSUSA-N 0 0 443.481 2.574 50 0 IFAARN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000008877050 562965595 /nfs/dbraw/zinc/96/55/95/562965595.db2.gz HKBYEHNTKISRIN-SJORKVTESA-N 0 0 446.503 2.858 50 0 IFAARN CC(C)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000008882839 562965759 /nfs/dbraw/zinc/96/57/59/562965759.db2.gz CIDCRIMIHOEDLH-SJORKVTESA-N 0 0 429.542 2.641 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCCC4OCCO4)s3)CC2=O)cc1 ZINC000008906104 562965944 /nfs/dbraw/zinc/96/59/44/562965944.db2.gz QFPXZILHEFQSMZ-ZDUSSCGKSA-N 0 0 434.543 2.693 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NCc2ccccc2)C(=O)[C@]31C ZINC000008952723 562966199 /nfs/dbraw/zinc/96/61/99/562966199.db2.gz BXZMQZWYVUZBTK-MQNRADLISA-N 0 0 446.507 2.917 50 0 IFAARN O=C(CCc1ccccc1)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1 ZINC000008973798 562966417 /nfs/dbraw/zinc/96/64/17/562966417.db2.gz BJFKRDRXGQMTDY-UHFFFAOYSA-N 0 0 431.539 2.889 50 0 IFAARN CC(NN1CCCC[C@@H]1c1cccnc1)=C1C(=O)NC(=S)N(C2CCCCC2)C1=O ZINC000009111608 562967091 /nfs/dbraw/zinc/96/70/91/562967091.db2.gz JSLFMQXCOCNGKU-AQRXXJNJSA-N 0 0 427.574 2.963 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(C[S@](=O)c3ccc(F)cc3)o2)CC1 ZINC000009115771 562967216 /nfs/dbraw/zinc/96/72/16/562967216.db2.gz VXMUTHREXWTYNY-SSEXGKCCSA-N 0 0 430.457 2.918 50 0 IFAARN CCOc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 ZINC000009124833 562967456 /nfs/dbraw/zinc/96/74/56/562967456.db2.gz XCJANACRUBZKLF-UHFFFAOYSA-N 0 0 446.525 2.974 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000009128803 562967642 /nfs/dbraw/zinc/96/76/42/562967642.db2.gz GOAWHZUXOLKFSG-SFHVURJKSA-N 0 0 440.496 2.625 50 0 IFAARN C[C@H](CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000009151597 562967847 /nfs/dbraw/zinc/96/78/47/562967847.db2.gz HYDCOUREQHYRBG-CYBMUJFWSA-N 0 0 436.917 2.582 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)c1 ZINC000009287659 562968961 /nfs/dbraw/zinc/96/89/61/562968961.db2.gz OWEZPTPRAZJLBO-HNNXBMFYSA-N 0 0 443.529 2.697 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000009384343 562969834 /nfs/dbraw/zinc/96/98/34/562969834.db2.gz FNGKDCMSQPLRKE-MRXNPFEDSA-N 0 0 432.498 2.901 50 0 IFAARN COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000009403018 562969994 /nfs/dbraw/zinc/96/99/94/562969994.db2.gz JHXJPWWASQHYJQ-UHFFFAOYSA-N 0 0 428.869 2.761 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)cc2C[C@@H]1C ZINC000009396978 562970010 /nfs/dbraw/zinc/97/00/10/562970010.db2.gz MWQCKZUFRYJCPX-IRXDYDNUSA-N 0 0 447.601 2.643 50 0 IFAARN Cc1cccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c2ccccc2F)c1 ZINC000009408463 562970234 /nfs/dbraw/zinc/97/02/34/562970234.db2.gz HWZJNOFQWAOPPR-FUHWJXTLSA-N 0 0 433.530 2.848 50 0 IFAARN CC(C)CN(CC(C)C)C(=O)Cn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000009408090 562970249 /nfs/dbraw/zinc/97/02/49/562970249.db2.gz OEGIXRONOYRCKJ-UHFFFAOYSA-N 0 0 437.562 2.520 50 0 IFAARN COc1ccc(N(C(=O)c2cc3ccccc3oc2=O)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000009416115 562970377 /nfs/dbraw/zinc/97/03/77/562970377.db2.gz OZAQMVFQPWVJGA-HNNXBMFYSA-N 0 0 441.461 2.768 50 0 IFAARN COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000009440433 562971137 /nfs/dbraw/zinc/97/11/37/562971137.db2.gz JAWIESRCQKVTGS-UHFFFAOYSA-N 0 0 438.889 2.790 50 0 IFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)NCCc1ccc(Cl)cc1 ZINC000009440502 562971139 /nfs/dbraw/zinc/97/11/39/562971139.db2.gz XDOTYMAVSWIOCM-UHFFFAOYSA-N 0 0 438.958 2.907 50 0 IFAARN O=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009493552 562972203 /nfs/dbraw/zinc/97/22/03/562972203.db2.gz DQRKUIHLZCUWTO-UHFFFAOYSA-N 0 0 435.933 2.883 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000009494965 562972296 /nfs/dbraw/zinc/97/22/96/562972296.db2.gz YVWQKDOHGAQKSY-UHFFFAOYSA-N 0 0 430.860 2.530 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl ZINC000009509302 562972561 /nfs/dbraw/zinc/97/25/61/562972561.db2.gz PWCWIKUGXATWTE-OAHLLOKOSA-N 0 0 430.954 2.531 50 0 IFAARN CCOc1ccc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000009508838 562972565 /nfs/dbraw/zinc/97/25/65/562972565.db2.gz TXZAYDONMBHZKO-UHFFFAOYSA-N 0 0 448.516 2.720 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc2ccccc2n1 ZINC000009510132 562972653 /nfs/dbraw/zinc/97/26/53/562972653.db2.gz QKUTWHQRGOLUAN-HNNXBMFYSA-N 0 0 441.509 2.978 50 0 IFAARN O=C(CSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1)NC1CCCC1 ZINC000009517876 562972719 /nfs/dbraw/zinc/97/27/19/562972719.db2.gz CQPADDLIALUOBP-CYBMUJFWSA-N 0 0 445.570 2.681 50 0 IFAARN CN(C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)c1ccccc1 ZINC000009519667 562972897 /nfs/dbraw/zinc/97/28/97/562972897.db2.gz PZPWCSJZJWXMRH-UHFFFAOYSA-N 0 0 439.537 2.700 50 0 IFAARN COC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)Nc2nnc(C(F)(F)F)n2[C@]1(C)O ZINC000009539779 562973045 /nfs/dbraw/zinc/97/30/45/562973045.db2.gz NIVZTNPERHLOPR-PKFCDNJMSA-N 0 0 435.200 2.680 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(O)cc2)c1 ZINC000009562054 562973306 /nfs/dbraw/zinc/97/33/06/562973306.db2.gz XPXSZFCAKFNYGX-UHFFFAOYSA-N 0 0 440.905 2.872 50 0 IFAARN COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1OC ZINC000009616056 562974290 /nfs/dbraw/zinc/97/42/90/562974290.db2.gz HDXAVFKPQQVMSC-UHFFFAOYSA-N 0 0 437.496 2.619 50 0 IFAARN COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(OC)c3)c2=O)cc1 ZINC000009616104 562974326 /nfs/dbraw/zinc/97/43/26/562974326.db2.gz WYWOEKNVHDORMZ-UHFFFAOYSA-N 0 0 431.448 2.808 50 0 IFAARN NC(=O)CCN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1 ZINC000009670346 562975114 /nfs/dbraw/zinc/97/51/14/562975114.db2.gz KEJOOCSIZUNPGQ-UHFFFAOYSA-N 0 0 449.532 2.960 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000009670400 562975135 /nfs/dbraw/zinc/97/51/35/562975135.db2.gz KXYHNENDFBPVCJ-UHFFFAOYSA-N 0 0 428.876 2.615 50 0 IFAARN COCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000009683367 562975525 /nfs/dbraw/zinc/97/55/25/562975525.db2.gz YAWLAYYCUOVRLF-UHFFFAOYSA-N 0 0 433.555 2.558 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc1OC ZINC000009684393 562975539 /nfs/dbraw/zinc/97/55/39/562975539.db2.gz HOWDPVZGGADVLJ-UHFFFAOYSA-N 0 0 449.573 2.796 50 0 IFAARN C[C@@H](NC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O)c1ccccc1 ZINC000009724395 562976047 /nfs/dbraw/zinc/97/60/47/562976047.db2.gz GVIQMHUNZFYEGS-MRXNPFEDSA-N 0 0 439.537 2.814 50 0 IFAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)cc1 ZINC000009746784 562976509 /nfs/dbraw/zinc/97/65/09/562976509.db2.gz OTZYVXBEQBLKHL-INIZCTEOSA-N 0 0 439.534 2.575 50 0 IFAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1cccc(F)c1 ZINC000009746798 562976511 /nfs/dbraw/zinc/97/65/11/562976511.db2.gz KSCLTWRGNLURDR-MRXNPFEDSA-N 0 0 439.534 2.575 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000009833433 562977308 /nfs/dbraw/zinc/97/73/08/562977308.db2.gz QUOTYCXIUGBJIT-FQEVSTJZSA-N 0 0 444.553 2.889 50 0 IFAARN CSc1cccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000009986101 562978219 /nfs/dbraw/zinc/97/82/19/562978219.db2.gz STALELQMDHXDLY-UHFFFAOYSA-N 0 0 448.566 2.991 50 0 IFAARN COc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2ccccc2F)n1C ZINC000010076601 562978388 /nfs/dbraw/zinc/97/83/88/562978388.db2.gz LBQFFOAEJNQXGL-UHFFFAOYSA-N 0 0 429.477 2.875 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)c1 ZINC000010186728 562978521 /nfs/dbraw/zinc/97/85/21/562978521.db2.gz YFFKMDSLUQTSEB-UHFFFAOYSA-N 0 0 449.536 2.865 50 0 IFAARN COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NC(C)(C)CO)c3C3CC3)n2)c1 ZINC000012124940 562980763 /nfs/dbraw/zinc/98/07/63/562980763.db2.gz KZMRBZUYJCGZGK-UHFFFAOYSA-N 0 0 437.500 2.725 50 0 IFAARN COC(=O)CCCC(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000012612245 562982875 /nfs/dbraw/zinc/98/28/75/562982875.db2.gz HQJSAHZYNJHPTQ-UHFFFAOYSA-N 0 0 442.516 2.798 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000012991630 562983833 /nfs/dbraw/zinc/98/38/33/562983833.db2.gz ONQOWZNCAPNZRE-LJQANCHMSA-N 0 0 432.567 2.983 50 0 IFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000013005013 562983950 /nfs/dbraw/zinc/98/39/50/562983950.db2.gz RNRKFCYTUKWEOX-UHFFFAOYSA-N 0 0 444.232 2.537 50 0 IFAARN O=C(NCCc1ccc(OC(F)F)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000013149816 562985423 /nfs/dbraw/zinc/98/54/23/562985423.db2.gz TVFVKJXCSKJUGZ-HNNXBMFYSA-N 0 0 432.423 2.771 50 0 IFAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000015680576 563018032 /nfs/dbraw/zinc/01/80/32/563018032.db2.gz LDXSHURCFPISHN-UHFFFAOYSA-N 0 0 442.975 3.000 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3cccc(Cl)c3)cc2C[C@H]1C ZINC000015935488 563018612 /nfs/dbraw/zinc/01/86/12/563018612.db2.gz BARFFDVUHYTMBU-CYBMUJFWSA-N 0 0 435.933 2.945 50 0 IFAARN CC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1 ZINC000015936342 563018824 /nfs/dbraw/zinc/01/88/24/563018824.db2.gz VGLNYWGZECJTQD-UHFFFAOYSA-N 0 0 441.351 2.857 50 0 IFAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)Nc3ccc(OC(F)(F)F)cc3)cn2)CC1 ZINC000015936474 563018868 /nfs/dbraw/zinc/01/88/68/563018868.db2.gz SEGCYXLPAPHBED-UHFFFAOYSA-N 0 0 446.451 2.841 50 0 IFAARN COc1ccccc1CCNC(=O)CCn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015936753 563018980 /nfs/dbraw/zinc/01/89/80/563018980.db2.gz OHWHQNNBWOWDHQ-UHFFFAOYSA-N 0 0 445.523 2.957 50 0 IFAARN COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000015941664 563019513 /nfs/dbraw/zinc/01/95/13/563019513.db2.gz GJBUSMZGZFQQGU-CYBMUJFWSA-N 0 0 434.539 2.608 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)c1C ZINC000015941741 563019533 /nfs/dbraw/zinc/01/95/33/563019533.db2.gz FVTFFUNLNVNNOV-UHFFFAOYSA-N 0 0 435.933 2.799 50 0 IFAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3C[C@H](C)C[C@H](C)C3)c3ccccc3c2=O)cc1 ZINC000015942156 563019576 /nfs/dbraw/zinc/01/95/76/563019576.db2.gz RYJVVAQLOKXGKO-CALCHBBNSA-N 0 0 448.523 2.629 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)c(OC)c1 ZINC000015944021 563020165 /nfs/dbraw/zinc/02/01/65/563020165.db2.gz USLFTLZISWNMNO-OAHLLOKOSA-N 0 0 448.526 2.500 50 0 IFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)C1 ZINC000015962704 563020509 /nfs/dbraw/zinc/02/05/09/563020509.db2.gz WALVRSGRPJYAPS-SOLBZPMBSA-N 0 0 427.998 2.891 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCC(C)CC3)c2)CC1 ZINC000031809486 563083511 /nfs/dbraw/zinc/08/35/11/563083511.db2.gz WZJAMQVPIAGNFY-UHFFFAOYSA-N 0 0 427.998 2.975 50 0 IFAARN COc1ccc(NC(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)cc1 ZINC000056949812 563143049 /nfs/dbraw/zinc/14/30/49/563143049.db2.gz KJBGDPRHAHSJNG-UHFFFAOYSA-N 0 0 449.507 2.988 50 0 IFAARN O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)N1CCc2ccccc21 ZINC000056949791 563143053 /nfs/dbraw/zinc/14/30/53/563143053.db2.gz IYROLFAQGCQRKP-UHFFFAOYSA-N 0 0 445.519 2.930 50 0 IFAARN CCN1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000058042689 563143294 /nfs/dbraw/zinc/14/32/94/563143294.db2.gz RSJFOSMPOQQQKM-UHFFFAOYSA-N 0 0 429.524 2.964 50 0 IFAARN COC(=O)[C@@H](NC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O)C(C)C ZINC000096937317 563199568 /nfs/dbraw/zinc/19/95/68/563199568.db2.gz OYQABFQINYYQSH-KRSRXSRCSA-N 0 0 433.501 2.962 50 0 IFAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1nc2nccc(C)n2n1 ZINC000023053405 568615468 /nfs/dbraw/zinc/61/54/68/568615468.db2.gz CMVKEGDCJYHCDW-UHFFFAOYSA-N 0 0 445.501 2.665 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)c2)C[C@@H](C)O1 ZINC000106149532 568625146 /nfs/dbraw/zinc/62/51/46/568625146.db2.gz MQTRKODKGKIYAR-MBOZVWFJSA-N 0 0 448.589 2.526 50 0 IFAARN O=C(CCn1c(=O)oc2ccccc21)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000018948661 568628989 /nfs/dbraw/zinc/62/89/89/568628989.db2.gz YKTQRRNBSXNFEE-UHFFFAOYSA-N 0 0 435.436 2.842 50 0 IFAARN CCOc1ccc(OCC)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000000908005 568636604 /nfs/dbraw/zinc/63/66/04/568636604.db2.gz NGAQQMGKGKBLRF-UHFFFAOYSA-N 0 0 434.514 2.757 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)NCc1ccccc1Cl ZINC000019077866 568638150 /nfs/dbraw/zinc/63/81/50/568638150.db2.gz KJXMYPQVNLIMFH-INIZCTEOSA-N 0 0 438.962 2.964 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000000937631 568638872 /nfs/dbraw/zinc/63/88/72/568638872.db2.gz CSHIHWDAKKGCQR-UHFFFAOYSA-N 0 0 429.498 2.623 50 0 IFAARN O=S(=O)(c1cccc2nsnc21)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000019079136 568639039 /nfs/dbraw/zinc/63/90/39/568639039.db2.gz PYLJHWLSTUOGAK-UHFFFAOYSA-N 0 0 441.538 2.853 50 0 IFAARN COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000000951759 568645551 /nfs/dbraw/zinc/64/55/51/568645551.db2.gz UEUMGVLMGUIUSR-FQEVSTJZSA-N 0 0 447.491 2.667 50 0 IFAARN COC(=O)CNc1nc(Cl)nc(Nc2ccc(I)cc2C)n1 ZINC000000976079 568648033 /nfs/dbraw/zinc/64/80/33/568648033.db2.gz HXDWIYNPISDEPM-UHFFFAOYSA-N 0 0 433.637 2.767 50 0 IFAARN O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000025302059 568650978 /nfs/dbraw/zinc/65/09/78/568650978.db2.gz CMTPQOQMTQKCTG-UHFFFAOYSA-N 0 0 427.482 2.978 50 0 IFAARN O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000025345692 568654284 /nfs/dbraw/zinc/65/42/84/568654284.db2.gz HFMIILZHXSJMPG-UHFFFAOYSA-N 0 0 426.460 2.922 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccccc1OC ZINC000001082149 568657526 /nfs/dbraw/zinc/65/75/26/568657526.db2.gz NFRXXSPDCITWPY-GTVARFKMSA-N 0 0 440.546 2.868 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000001082151 568657527 /nfs/dbraw/zinc/65/75/27/568657527.db2.gz NFRXXSPDCITWPY-LYPXWFNGSA-N 0 0 440.546 2.868 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nncn1-c1ccccc1 ZINC000015187296 568732208 /nfs/dbraw/zinc/73/22/08/568732208.db2.gz QQPMLIYROZDIFQ-OAHLLOKOSA-N 0 0 445.570 2.945 50 0 IFAARN COCC(=O)N1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[C@H](c2ccc(F)c(C)c2)C1 ZINC000034715227 568732533 /nfs/dbraw/zinc/73/25/33/568732533.db2.gz NMJFGGWAFZFEKQ-RBUKOAKNSA-N 0 0 442.487 2.758 50 0 IFAARN O=C1CN(C2CCCCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 ZINC000063376415 568739558 /nfs/dbraw/zinc/73/95/58/568739558.db2.gz MMOFNVSYNNVNOS-ROUUACIJSA-N 0 0 441.391 2.986 50 0 IFAARN COc1ccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccccc4)NN32)cc1 ZINC000137250437 568739931 /nfs/dbraw/zinc/73/99/31/568739931.db2.gz NLMCXSHTDFCHFB-JOCHJYFZSA-N 0 0 428.517 2.772 50 0 IFAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cccc2nsnc21 ZINC000019108688 568740024 /nfs/dbraw/zinc/74/00/24/568740024.db2.gz LBTRQDLOFODMAZ-UHFFFAOYSA-N 0 0 426.502 2.549 50 0 IFAARN COc1ccc(CNC(=O)C(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000043943912 568743887 /nfs/dbraw/zinc/74/38/87/568743887.db2.gz HEXIEVWZKXBRAQ-UHFFFAOYSA-N 0 0 442.491 2.511 50 0 IFAARN O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000043943905 568743893 /nfs/dbraw/zinc/74/38/93/568743893.db2.gz XGLAUPNPUQHMMJ-UHFFFAOYSA-N 0 0 442.447 2.553 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)COc2ccc(C(C)=O)cc2OC)c1C ZINC000003279817 568744832 /nfs/dbraw/zinc/74/48/32/568744832.db2.gz IFXOTJDSHFLMJS-UHFFFAOYSA-N 0 0 431.441 2.824 50 0 IFAARN NC(=O)c1c(NC(=O)COC(=O)Cc2ccc(Br)cc2)sc2c1CCC2 ZINC000003284204 568745006 /nfs/dbraw/zinc/74/50/06/568745006.db2.gz JONRMACIISMOMG-UHFFFAOYSA-N 0 0 437.315 2.823 50 0 IFAARN O=C(Cn1c(=O)oc2ccccc21)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000044005734 568745589 /nfs/dbraw/zinc/74/55/89/568745589.db2.gz UNEDESCVLIERQT-UHFFFAOYSA-N 0 0 426.448 2.794 50 0 IFAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2ccc(N3CCCC3)nn2)CC1 ZINC000044065198 568746748 /nfs/dbraw/zinc/74/67/48/568746748.db2.gz DNSYPUSRKHHJNI-UHFFFAOYSA-N 0 0 441.479 2.607 50 0 IFAARN Cc1ccnc2nc(C(=O)OCC(=O)NCCC(c3ccccc3)c3ccccc3)nn21 ZINC000003385330 568748283 /nfs/dbraw/zinc/74/82/83/568748283.db2.gz WNNHUJMIGCMDIZ-UHFFFAOYSA-N 0 0 429.480 2.928 50 0 IFAARN CC(C)c1nnc(C2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)o1 ZINC000044098533 568748291 /nfs/dbraw/zinc/74/82/91/568748291.db2.gz VTBSDKOCCBDONQ-CQSZACIVSA-N 0 0 429.546 2.682 50 0 IFAARN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CNc1ccc(Cl)cc1F ZINC000003437874 568749480 /nfs/dbraw/zinc/74/94/80/568749480.db2.gz SQINVJQXEPMCKK-UHFFFAOYSA-N 0 0 443.884 2.802 50 0 IFAARN CCc1cccc2c(C(=O)COC(=O)[C@@H]3Cc4ccccc4CN3S(C)(=O)=O)c[nH]c21 ZINC000003441705 568749586 /nfs/dbraw/zinc/74/95/86/568749586.db2.gz AOPBIJLYHJAQFW-FQEVSTJZSA-N 0 0 440.521 2.843 50 0 IFAARN COc1ccccc1C(=O)Nc1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000044224965 568749925 /nfs/dbraw/zinc/74/99/25/568749925.db2.gz NILDWZQBYZATON-UHFFFAOYSA-N 0 0 431.514 2.558 50 0 IFAARN CC(C)[C@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003530247 568750479 /nfs/dbraw/zinc/75/04/79/568750479.db2.gz XBTMUZYJFBGSNY-INIZCTEOSA-N 0 0 430.526 2.756 50 0 IFAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)N1CCc2ccccc21 ZINC000003544694 568750683 /nfs/dbraw/zinc/75/06/83/568750683.db2.gz FTVXREYPQXZENB-KRWDZBQOSA-N 0 0 442.537 2.996 50 0 IFAARN COc1ccc(-c2cc(=NC(=O)Cc3ccccc3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158030 568750798 /nfs/dbraw/zinc/75/07/98/568750798.db2.gz JDRUMYPZPNZFFH-GOSISDBHSA-N 0 0 425.510 2.521 50 0 IFAARN COc1ccc(-c2cc(=NC(=O)c3cccc(Cl)n3)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158636 568751053 /nfs/dbraw/zinc/75/10/53/568751053.db2.gz YLMWMECVOLGNLH-AWEZNQCLSA-N 0 0 446.916 2.641 50 0 IFAARN O=C(CNC(=O)COc1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000012615770 568755046 /nfs/dbraw/zinc/75/50/46/568755046.db2.gz FBAKCRQEAWXKTO-UHFFFAOYSA-N 0 0 425.466 2.715 50 0 IFAARN CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1CN1CCC[C@@H](C(N)=O)C1 ZINC000299765657 568756252 /nfs/dbraw/zinc/75/62/52/568756252.db2.gz BLJVTJXXRAGLNY-CQSZACIVSA-N 0 0 441.919 2.948 50 0 IFAARN O=C(C[C@@]1(c2ccccc2)CC(=O)N(CCn2ccnc2)C1=O)N1CCc2ccccc2C1 ZINC000299781312 568757220 /nfs/dbraw/zinc/75/72/20/568757220.db2.gz RJDHQAJCXKJWRK-SANMLTNESA-N 0 0 442.519 2.555 50 0 IFAARN COCCNC(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)C1 ZINC000299787017 568757435 /nfs/dbraw/zinc/75/74/35/568757435.db2.gz RCYRRVXKVDMGKK-KRWDZBQOSA-N 0 0 439.487 2.601 50 0 IFAARN O=C(CCn1nnc2ccccc2c1=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000031893047 568759440 /nfs/dbraw/zinc/75/94/40/568759440.db2.gz GJBSJALTLUFISK-LJQANCHMSA-N 0 0 443.910 2.927 50 0 IFAARN CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1S(=O)(=O)N(C)C ZINC000031970100 568760288 /nfs/dbraw/zinc/76/02/88/568760288.db2.gz FYBLNBFDOXEAPK-UHFFFAOYSA-N 0 0 433.408 2.707 50 0 IFAARN COc1cc2nc(CSCC(=O)NCCc3ccc(O)cc3)[nH]c(=O)c2cc1OC ZINC000263587233 568760493 /nfs/dbraw/zinc/76/04/93/568760493.db2.gz DSDIUDMVRVAEKU-UHFFFAOYSA-N 0 0 429.498 2.650 50 0 IFAARN Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccccc3OCCN3CCOCC3)C2)n1 ZINC000263587878 568760846 /nfs/dbraw/zinc/76/08/46/568760846.db2.gz MHCZQXFSLYEGAE-FQEVSTJZSA-N 0 0 439.560 2.660 50 0 IFAARN NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3 ZINC000001243739 568774652 /nfs/dbraw/zinc/77/46/52/568774652.db2.gz JSOPDTRFXVBPEU-UHFFFAOYSA-N 0 0 439.566 2.805 50 0 IFAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCCOc1ccccc1C ZINC000025702432 568775678 /nfs/dbraw/zinc/77/56/78/568775678.db2.gz JMFRHRZKMOXPLY-UHFFFAOYSA-N 0 0 431.485 2.811 50 0 IFAARN COc1ccc([C@H]2Cn3nnc(CN4CCN(C(=O)CC5CCCC5)CC4)c3CO2)cc1 ZINC000263615184 568775750 /nfs/dbraw/zinc/77/57/50/568775750.db2.gz BAONWEQZBQIMJD-HSZRJFAPSA-N 0 0 439.560 2.783 50 0 IFAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5OC)CC4)c3CO2)cc1 ZINC000263615267 568776013 /nfs/dbraw/zinc/77/60/13/568776013.db2.gz BNIZBGSIPXXHJI-QFIPXVFZSA-N 0 0 449.511 2.529 50 0 IFAARN O=C(NC1CCN(Cc2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1)C1CCCC1 ZINC000263615881 568776106 /nfs/dbraw/zinc/77/61/06/568776106.db2.gz FRZOQJQXMLPMNR-JOCHJYFZSA-N 0 0 427.524 2.960 50 0 IFAARN COc1ccc(CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)cc1F ZINC000263616694 568776671 /nfs/dbraw/zinc/77/66/71/568776671.db2.gz KCBJGFJPGNKQDR-UHFFFAOYSA-N 0 0 426.433 2.860 50 0 IFAARN COc1ccc(-c2nn3ccn(Cc4nc(-c5ccccc5)no4)c(=O)c3c2CO)cc1 ZINC000263616816 568776907 /nfs/dbraw/zinc/77/69/07/568776907.db2.gz KRRXGGTWEQHJEH-UHFFFAOYSA-N 0 0 429.436 2.762 50 0 IFAARN CC(C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 ZINC000263617253 568777080 /nfs/dbraw/zinc/77/70/80/568777080.db2.gz MXZJOEMZRNRLPY-GOSISDBHSA-N 0 0 431.924 2.580 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1 ZINC000263618306 568778216 /nfs/dbraw/zinc/77/82/16/568778216.db2.gz SDKUMFLYEBIAJP-UHFFFAOYSA-N 0 0 428.439 2.926 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(N)cc3)n2C)cc1OC ZINC000004124991 568780802 /nfs/dbraw/zinc/78/08/02/568780802.db2.gz NVBXURWKHDVQCN-UHFFFAOYSA-N 0 0 427.530 2.533 50 0 IFAARN COc1cccc2c([C@H](C(=O)[O-])[NH+]3CCN(c4ncc(Br)cn4)CC3)c[nH]c21 ZINC000032103549 568780914 /nfs/dbraw/zinc/78/09/14/568780914.db2.gz PSXPABOSNXRMHV-QGZVFWFLSA-N 0 0 446.305 2.677 50 0 IFAARN COc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4ccccc4)n3n2)cc1OC ZINC000045925674 568783615 /nfs/dbraw/zinc/78/36/15/568783615.db2.gz RLVJFWKYTNWFOG-UHFFFAOYSA-N 0 0 437.481 2.833 50 0 IFAARN COC(=O)Cc1c(C(=O)OC)sc(NC(=O)c2cccc(Cl)c2)c1C(=O)OC ZINC000001405960 568787015 /nfs/dbraw/zinc/78/70/15/568787015.db2.gz KUOVJIHRFSGSBO-UHFFFAOYSA-N 0 0 425.846 2.943 50 0 IFAARN COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1-c1ccccc1 ZINC000083962588 568787332 /nfs/dbraw/zinc/78/73/32/568787332.db2.gz UCTFSADCJSBIAU-JOCHJYFZSA-N 0 0 445.519 2.695 50 0 IFAARN COc1ccc(-c2c(=O)n(OCc3ccc(OC)c(OC)c3)c3ccccc3[n+]2[O-])cc1 ZINC000001410149 568787913 /nfs/dbraw/zinc/78/79/13/568787913.db2.gz ZDFAHFJDSOFTAZ-UHFFFAOYSA-N 0 0 434.448 2.957 50 0 IFAARN CCCN1c2ccccc2/C(=c2/sc3nc(-c4ccc(OCC)cc4)nn3c2=O)C1=O ZINC000016805304 568793203 /nfs/dbraw/zinc/79/32/03/568793203.db2.gz LZJSUFFEQZHNLY-HNENSFHCSA-N 0 0 432.505 2.891 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2nc(C)c(I)c2C)cc1 ZINC000001430020 568794459 /nfs/dbraw/zinc/79/44/59/568794459.db2.gz NYRZHSQJSQSCAT-UHFFFAOYSA-N 0 0 427.242 2.920 50 0 IFAARN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)C2)cc1 ZINC000084155159 568795218 /nfs/dbraw/zinc/79/52/18/568795218.db2.gz UQNFOLXNWUIOPG-RTBURBONSA-N 0 0 438.528 2.997 50 0 IFAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cn2c3ccccc3oc2=O)c1C ZINC000084218777 568796271 /nfs/dbraw/zinc/79/62/71/568796271.db2.gz NRRIWJJTUAJDOT-SFHVURJKSA-N 0 0 437.496 2.858 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC/C=C(/C)C(=O)OC)o2)c1 ZINC000084774009 568801307 /nfs/dbraw/zinc/80/13/07/568801307.db2.gz XACBNCBRUXWOIT-RAXLEYEMSA-N 0 0 425.532 2.979 50 0 IFAARN CCOC(=O)c1sc2ncnc(N3CCN(C(=O)c4ccc(O)cc4)CC3)c2c1C ZINC000084795600 568801453 /nfs/dbraw/zinc/80/14/53/568801453.db2.gz AVCOTYTUVBQNOQ-UHFFFAOYSA-N 0 0 426.498 2.844 50 0 IFAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000015672265 568803101 /nfs/dbraw/zinc/80/31/01/568803101.db2.gz GTBZMCMGYWAYBL-MRXNPFEDSA-N 0 0 429.546 2.596 50 0 IFAARN CCOc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCCCCC3)C2)cc1 ZINC000015680895 568806290 /nfs/dbraw/zinc/80/62/90/568806290.db2.gz SLIFMLGXICIEDM-FQEVSTJZSA-N 0 0 437.606 2.577 50 0 IFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)NCCCc2ccccc2)s1 ZINC000015720730 568811560 /nfs/dbraw/zinc/81/15/60/568811560.db2.gz CDKOXEPZZCTICE-UHFFFAOYSA-N 0 0 441.534 2.850 50 0 IFAARN O=C(CCc1nc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)no1)N1CCCCCC1 ZINC000015722058 568811812 /nfs/dbraw/zinc/81/18/12/568811812.db2.gz AYJOZVHTKIZESA-UHFFFAOYSA-N 0 0 443.523 2.502 50 0 IFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)N1CCc2ccccc21 ZINC000015720857 568811918 /nfs/dbraw/zinc/81/19/18/568811918.db2.gz CTGTUOXXGGYTMN-UHFFFAOYSA-N 0 0 437.452 2.768 50 0 IFAARN COc1cccc(CNC(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000015726695 568812551 /nfs/dbraw/zinc/81/25/51/568812551.db2.gz IEEXTULCZYWKRN-UONOGXRCSA-N 0 0 448.566 2.854 50 0 IFAARN CCc1ccc(C(=O)c2cn(CC(=O)NC[C@@H]3CCCO3)c3nc(C)ccc3c2=O)cc1 ZINC000015728896 568813018 /nfs/dbraw/zinc/81/30/18/568813018.db2.gz WAELHYWHLNVZPG-IBGZPJMESA-N 0 0 433.508 2.794 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1)N1CCCCCC1 ZINC000015728491 568813272 /nfs/dbraw/zinc/81/32/72/568813272.db2.gz WJZGBEBOXYZMHH-UHFFFAOYSA-N 0 0 433.574 2.765 50 0 IFAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 ZINC000015730126 568813899 /nfs/dbraw/zinc/81/38/99/568813899.db2.gz NMPHAIYCHNJBMA-DNVCBOLYSA-N 0 0 443.525 2.815 50 0 IFAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000015730125 568813915 /nfs/dbraw/zinc/81/39/15/568813915.db2.gz NMPHAIYCHNJBMA-HNAYVOBHSA-N 0 0 443.525 2.815 50 0 IFAARN CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3ccc(-c4ccno4)cc3)ccc21 ZINC000015731685 568814705 /nfs/dbraw/zinc/81/47/05/568814705.db2.gz NPRGDGKUTJDBLH-UHFFFAOYSA-N 0 0 425.466 2.663 50 0 IFAARN COc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)nc2cc(=O)[nH]n21 ZINC000015732567 568815225 /nfs/dbraw/zinc/81/52/25/568815225.db2.gz WJOPRWBPHSZGMU-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN C=C1C(N2CCC(C(=O)NC3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000015733006 568815458 /nfs/dbraw/zinc/81/54/58/568815458.db2.gz NLRSQOZBSUUMBP-UHFFFAOYSA-N 0 0 431.558 2.939 50 0 IFAARN COc1cccc(CNC(=O)CSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n32)c1 ZINC000015732619 568815616 /nfs/dbraw/zinc/81/56/16/568815616.db2.gz BKXYKBBNQBSWDZ-UHFFFAOYSA-N 0 0 439.472 2.641 50 0 IFAARN Cc1nc2ccc(S(=O)(=O)N(CC(=O)N3CCOCC3)Cc3ccccc3)cc2s1 ZINC000015733717 568816024 /nfs/dbraw/zinc/81/60/24/568816024.db2.gz FLPNLVKYXYLIDP-UHFFFAOYSA-N 0 0 445.566 2.654 50 0 IFAARN CC=C1C(NCC(=O)NCc2ccc(OC)cc2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000015735777 568816914 /nfs/dbraw/zinc/81/69/14/568816914.db2.gz FWJKTQBPHDWBPR-UHFFFAOYSA-N 0 0 427.526 2.773 50 0 IFAARN O=S(=O)(c1nnn2c1nc(N[C@H]1CN3CCC1CC3)c1ccccc12)c1ccccc1 ZINC000085393553 568817160 /nfs/dbraw/zinc/81/71/60/568817160.db2.gz KSIFBRAILYXPSK-SFHVURJKSA-N 0 0 434.525 2.616 50 0 IFAARN COc1ccccc1N(CCOC(=O)c1cccnc1)C1=NS(=O)(=O)c2ccccc21 ZINC000001462432 568819886 /nfs/dbraw/zinc/81/98/86/568819886.db2.gz ICZQMXRKRFPYBG-UHFFFAOYSA-N 0 0 437.477 2.903 50 0 IFAARN CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1 ZINC000015766507 568821454 /nfs/dbraw/zinc/82/14/54/568821454.db2.gz QPMUOJPWSLTSTH-OAHLLOKOSA-N 0 0 429.498 2.723 50 0 IFAARN CCOc1ccc(CCNC(=O)Cn2ncn3nc(-c4ccc(CC)cc4)cc3c2=O)cc1 ZINC000015772637 568822921 /nfs/dbraw/zinc/82/29/21/568822921.db2.gz WYMMIFVIRDEWAK-UHFFFAOYSA-N 0 0 445.523 2.878 50 0 IFAARN Cc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccc5c(c4)OCO5)nn32)nc1 ZINC000015776677 568824016 /nfs/dbraw/zinc/82/40/16/568824016.db2.gz NSQAIWVRUUTUSJ-UHFFFAOYSA-N 0 0 431.456 2.740 50 0 IFAARN Cc1n[nH]c(C)c1S(=O)(=O)N(C)CCc1noc(COc2ccc(Cl)cc2)n1 ZINC000085591569 568825994 /nfs/dbraw/zinc/82/59/94/568825994.db2.gz UQRKTQOOLGMPSD-UHFFFAOYSA-N 0 0 425.898 2.505 50 0 IFAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)cc1OC ZINC000085628429 568828460 /nfs/dbraw/zinc/82/84/60/568828460.db2.gz VXIWJRNQDKJCBZ-QGZVFWFLSA-N 0 0 436.512 2.863 50 0 IFAARN COc1ccc(-c2noc(Cn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)c(OC)c1 ZINC000085644328 568829243 /nfs/dbraw/zinc/82/92/43/568829243.db2.gz WYOWWZKIUSOLGG-UHFFFAOYSA-N 0 0 434.408 2.755 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(C)ccc4o3)CC2)cc1OC ZINC000085649985 568831265 /nfs/dbraw/zinc/83/12/65/568831265.db2.gz CKXVXXCCGDXYIK-UHFFFAOYSA-N 0 0 431.514 2.660 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCCC2)cc1F ZINC000085651628 568831470 /nfs/dbraw/zinc/83/14/70/568831470.db2.gz SRIGGWDVVKNTLV-UHFFFAOYSA-N 0 0 449.529 2.934 50 0 IFAARN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)c1 ZINC000085651011 568831634 /nfs/dbraw/zinc/83/16/34/568831634.db2.gz WPKXEHKAYKYEPZ-QGZVFWFLSA-N 0 0 444.557 2.599 50 0 IFAARN Cc1ccc(-n2nc(N3CCCN(C(=O)COc4ccc(F)cc4)CC3)ccc2=O)cc1 ZINC000085654102 568832361 /nfs/dbraw/zinc/83/23/61/568832361.db2.gz XGEDBZCBPHBANH-UHFFFAOYSA-N 0 0 436.487 2.798 50 0 IFAARN Cc1ccc(-n2nc(N3CCCN(C(=O)COc4cccc(C)c4)CC3)ccc2=O)cc1 ZINC000085654079 568832434 /nfs/dbraw/zinc/83/24/34/568832434.db2.gz KLMOOGCATBSAJB-UHFFFAOYSA-N 0 0 432.524 2.967 50 0 IFAARN COc1ccc(C(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1OC ZINC000085653937 568832578 /nfs/dbraw/zinc/83/25/78/568832578.db2.gz XMUSWYVOHCKUFG-UHFFFAOYSA-N 0 0 434.496 2.602 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1OCC ZINC000085654621 568832949 /nfs/dbraw/zinc/83/29/49/568832949.db2.gz UYJVMSTURBGOLG-UHFFFAOYSA-N 0 0 448.523 2.992 50 0 IFAARN COc1cccc(CC(=O)N2CCN(c3ccc(=O)n(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC000085654659 568833460 /nfs/dbraw/zinc/83/34/60/568833460.db2.gz OSLFPJLCHNAWPN-UHFFFAOYSA-N 0 0 438.915 2.786 50 0 IFAARN O=c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nn1-c1ccccc1 ZINC000085654314 568833571 /nfs/dbraw/zinc/83/35/71/568833571.db2.gz BOLICOYAZKQBOU-UHFFFAOYSA-N 0 0 448.907 2.536 50 0 IFAARN Cc1ccc(-n2nc(N3CCN(C(=O)c4ccc(Br)o4)CC3)ccc2=O)cc1 ZINC000085654693 568833867 /nfs/dbraw/zinc/83/38/67/568833867.db2.gz NFOOAUDEFAYFGD-UHFFFAOYSA-N 0 0 443.301 2.859 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c1C ZINC000085710422 568834848 /nfs/dbraw/zinc/83/48/48/568834848.db2.gz YIMDSCRQZXBDOM-UHFFFAOYSA-N 0 0 440.544 2.691 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000015786501 568836127 /nfs/dbraw/zinc/83/61/27/568836127.db2.gz LQQKALYNKHHXJS-UHFFFAOYSA-N 0 0 449.692 2.908 50 0 IFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCC4)C3)ccc21 ZINC000015823375 568840232 /nfs/dbraw/zinc/84/02/32/568840232.db2.gz RCQLPGNGEPRGER-IBGZPJMESA-N 0 0 447.601 2.835 50 0 IFAARN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)[nH+]1 ZINC000015824977 568840561 /nfs/dbraw/zinc/84/05/61/568840561.db2.gz DLMSEMCCQCHBFT-UHFFFAOYSA-N 0 0 433.512 2.844 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)NCCCOC)c3ccccc3S2(=O)=O)cc1 ZINC000015826942 568840949 /nfs/dbraw/zinc/84/09/49/568840949.db2.gz KZZBAIPUOJQFGB-UHFFFAOYSA-N 0 0 431.514 2.537 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)OC ZINC000005706732 568842052 /nfs/dbraw/zinc/84/20/52/568842052.db2.gz YAMQCWSSFXUFGP-HBGVWJBISA-N 0 0 442.512 2.934 50 0 IFAARN CCS(=O)(=O)Nc1cc2c(cc1C)n(S(=O)(=O)CC)c(C)c2C(=O)OC(C)C ZINC000006142916 568845632 /nfs/dbraw/zinc/84/56/32/568845632.db2.gz YJOQQLFZQSCZFK-UHFFFAOYSA-N 0 0 430.548 2.783 50 0 IFAARN C[C@@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000006144362 568845991 /nfs/dbraw/zinc/84/59/91/568845991.db2.gz YPCKKXIXFOIBBD-SECBINFHSA-N 0 0 432.285 2.944 50 0 IFAARN COC(=O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)c1 ZINC000015858459 568846589 /nfs/dbraw/zinc/84/65/89/568846589.db2.gz ABRLJRKALXGTKD-NSHDSACASA-N 0 0 436.873 2.691 50 0 IFAARN Cc1nc2ccccn2c(=O)c1Cc1nnc(SCC(=O)Nc2ccccc2F)n1C ZINC000015859275 568846996 /nfs/dbraw/zinc/84/69/96/568846996.db2.gz ZCKGLLPIAGHKQP-UHFFFAOYSA-N 0 0 438.488 2.592 50 0 IFAARN COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)s2)on1 ZINC000015864631 568850272 /nfs/dbraw/zinc/85/02/72/568850272.db2.gz VBHNJTOAYLNSLG-UHFFFAOYSA-N 0 0 439.559 2.829 50 0 IFAARN O=C(CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n21)N1CCN(c2ccccc2)CC1 ZINC000015881763 568856080 /nfs/dbraw/zinc/85/60/80/568856080.db2.gz XHVDIJGKSBZCLQ-UHFFFAOYSA-N 0 0 446.536 2.938 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc3[nH]c(=O)cc(C)n31)CCC2 ZINC000015881752 568856099 /nfs/dbraw/zinc/85/60/99/568856099.db2.gz VZNLOCUAVMPEJR-SNVBAGLBSA-N 0 0 447.542 2.985 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc3[nH]c(=O)cc(C)n31)CCC2 ZINC000015881753 568856141 /nfs/dbraw/zinc/85/61/41/568856141.db2.gz VZNLOCUAVMPEJR-JTQLQIEISA-N 0 0 447.542 2.985 50 0 IFAARN COc1ccccc1NC(=O)CSc1c(CC(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000015883669 568857730 /nfs/dbraw/zinc/85/77/30/568857730.db2.gz JDTJAXDOZXHDBA-UHFFFAOYSA-N 0 0 442.541 2.570 50 0 IFAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(F)cc1 ZINC000015883565 568857751 /nfs/dbraw/zinc/85/77/51/568857751.db2.gz YDRYSRBEZWPCFW-UHFFFAOYSA-N 0 0 430.505 2.845 50 0 IFAARN COc1cccc(NC(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000015883670 568857772 /nfs/dbraw/zinc/85/77/72/568857772.db2.gz GHEOKYBGKOQPPG-UHFFFAOYSA-N 0 0 442.541 2.570 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000575414933 568862458 /nfs/dbraw/zinc/86/24/58/568862458.db2.gz RFIVEQUNGZJGKT-ZWKOTPCHSA-N 0 0 440.537 2.913 50 0 IFAARN CSc1ncc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)n1-c1ccc(F)cc1 ZINC000029348508 568865314 /nfs/dbraw/zinc/86/53/14/568865314.db2.gz NZJNWPDGPBPZAC-HXUWFJFHSA-N 0 0 436.578 2.671 50 0 IFAARN C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)CC(=O)Nc1ccccc1Cl ZINC000012937170 568865895 /nfs/dbraw/zinc/86/58/95/568865895.db2.gz GWMPSFYAVDPKRB-GOSISDBHSA-N 0 0 428.964 2.943 50 0 IFAARN CCCCOc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000012937173 568865950 /nfs/dbraw/zinc/86/59/50/568865950.db2.gz ZZMQXEZOIOKFHT-UHFFFAOYSA-N 0 0 426.542 2.893 50 0 IFAARN O=C([C@H](Cc1ccccc1)n1cccc1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000575443043 568868231 /nfs/dbraw/zinc/86/82/31/568868231.db2.gz DUMUSKBDAVFROW-QFIPXVFZSA-N 0 0 444.601 2.537 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)cc1 ZINC000016047565 568869018 /nfs/dbraw/zinc/86/90/18/568869018.db2.gz GTPBPDVEEHEZOG-UHFFFAOYSA-N 0 0 431.452 2.624 50 0 IFAARN CC(C)CCN(CC(=O)NC(=O)NC(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012943970 568870504 /nfs/dbraw/zinc/87/05/04/568870504.db2.gz ITLFYLKBTSMAON-UHFFFAOYSA-N 0 0 437.484 2.976 50 0 IFAARN CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000012945921 568870966 /nfs/dbraw/zinc/87/09/66/568870966.db2.gz AQOIKAYNCSDWMC-UHFFFAOYSA-N 0 0 434.851 2.944 50 0 IFAARN COc1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)cc(OC)c1OC ZINC000016260482 568875087 /nfs/dbraw/zinc/87/50/87/568875087.db2.gz ZPPSCXKHLYKYLI-UHFFFAOYSA-N 0 0 447.447 2.957 50 0 IFAARN Cc1c(C(=O)NCCc2nnc3ccccn32)cnn1-c1ccc(Br)cc1 ZINC000026303963 568876439 /nfs/dbraw/zinc/87/64/39/568876439.db2.gz KFXANEHDKVUFFY-UHFFFAOYSA-N 0 0 425.290 2.958 50 0 IFAARN C[C@H]1Cc2cc(C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)ccc2N1S(C)(=O)=O ZINC000023151360 568877667 /nfs/dbraw/zinc/87/76/67/568877667.db2.gz NTFHNBOUTLDQLW-VBKZILBWSA-N 0 0 443.525 2.767 50 0 IFAARN COc1nc(CNC(=O)COc2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1 ZINC000575606467 568878004 /nfs/dbraw/zinc/87/80/04/568878004.db2.gz IQPHFRPJDXGJAE-UHFFFAOYSA-N 0 0 426.304 2.873 50 0 IFAARN Cc1cc(O[C@@H]2CCCN(C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)nc(C)n1 ZINC000575609829 568878832 /nfs/dbraw/zinc/87/88/32/568878832.db2.gz QOSBPPCJVIMCSA-LJQANCHMSA-N 0 0 431.558 2.888 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H](Oc2ccncc2)C1 ZINC000575611643 568879200 /nfs/dbraw/zinc/87/92/00/568879200.db2.gz FHAINLLEIJLUAI-HXUWFJFHSA-N 0 0 429.542 2.940 50 0 IFAARN Cc1nn(CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1-c1ccsc1 ZINC000575612421 568879410 /nfs/dbraw/zinc/87/94/10/568879410.db2.gz DQNALXIROCGCMB-UHFFFAOYSA-N 0 0 432.571 2.909 50 0 IFAARN Cn1c(=O)n(C2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)nc1C(F)(F)F ZINC000575614780 568881065 /nfs/dbraw/zinc/88/10/65/568881065.db2.gz HJWRJESOSREUSU-UHFFFAOYSA-N 0 0 438.450 2.513 50 0 IFAARN Cn1c(=O)n(C2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)nc1C(F)(F)F ZINC000575614724 568881170 /nfs/dbraw/zinc/88/11/70/568881170.db2.gz CPFMHYFJPXCXFN-UHFFFAOYSA-N 0 0 438.385 2.607 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H](c2csc3ccccc32)N(C)C)cc1C(N)=O ZINC000575618817 568882319 /nfs/dbraw/zinc/88/23/19/568882319.db2.gz CSUPGTNPBHPCCL-QGZVFWFLSA-N 0 0 433.555 2.590 50 0 IFAARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(O[C@@H]4CCCC[C@H]4O)cc3)ccc21 ZINC000225440461 568885137 /nfs/dbraw/zinc/88/51/37/568885137.db2.gz VROWYJDNUSLDEY-NHCUHLMSSA-N 0 0 430.526 2.943 50 0 IFAARN C[C@H]1CN(Cc2cccc(CNC(=O)CCN3c4ccccc4O[C@@H](C)C3=O)c2)CCO1 ZINC000227618617 568886304 /nfs/dbraw/zinc/88/63/04/568886304.db2.gz YCQBONVKNRSCMH-OALUTQOASA-N 0 0 437.540 2.728 50 0 IFAARN Cn1c(-c2ccccn2)nn(CCNC(=O)C2c3ccccc3Oc3ccccc32)c1=O ZINC000090591040 568888471 /nfs/dbraw/zinc/88/84/71/568888471.db2.gz QCAWGQVRCNVVEB-UHFFFAOYSA-N 0 0 427.464 2.698 50 0 IFAARN O=C(N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000090592055 568888773 /nfs/dbraw/zinc/88/87/73/568888773.db2.gz PXMTWSFGSHWZCO-MJGOQNOKSA-N 0 0 449.486 2.619 50 0 IFAARN COc1ccc(S(=O)(=O)NCCNc2cc(Nc3ccccn3)ncn2)cc1Cl ZINC000090607959 568890763 /nfs/dbraw/zinc/89/07/63/568890763.db2.gz YUKCRMIXDXTDMM-UHFFFAOYSA-N 0 0 434.909 2.668 50 0 IFAARN Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCN(c3ccc(Cl)c(Cl)c3)CC1)CS2 ZINC000090609605 568891320 /nfs/dbraw/zinc/89/13/20/568891320.db2.gz KIGKLNBDLNSMLM-ZDUSSCGKSA-N 0 0 439.368 2.929 50 0 IFAARN CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)C2 ZINC000090609659 568891556 /nfs/dbraw/zinc/89/15/56/568891556.db2.gz ONFMIKCLFCDPAP-OAHLLOKOSA-N 0 0 430.549 2.751 50 0 IFAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000012979984 568892079 /nfs/dbraw/zinc/89/20/79/568892079.db2.gz CGHKCJCDQHRCDL-KOSHJBKYSA-N 0 0 437.496 2.532 50 0 IFAARN CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 ZINC000012983099 568894897 /nfs/dbraw/zinc/89/48/97/568894897.db2.gz LOFIGRRAYFBJQU-QGZVFWFLSA-N 0 0 435.594 2.886 50 0 IFAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Cc1ccc(OC)cc1OC ZINC000012984951 568895431 /nfs/dbraw/zinc/89/54/31/568895431.db2.gz WZHPJULCXIEKJG-UHFFFAOYSA-N 0 0 441.484 2.549 50 0 IFAARN O=C(C=Cc1ccccc1OC(F)(F)F)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000036398347 568896273 /nfs/dbraw/zinc/89/62/73/568896273.db2.gz ZOXBIMYQGOZEOL-CMDGGOBGSA-N 0 0 425.407 2.969 50 0 IFAARN CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(Br)ccc1OCC ZINC000012997265 568896754 /nfs/dbraw/zinc/89/67/54/568896754.db2.gz WGGPQHOCBDOYKO-GFCCVEGCSA-N 0 0 438.365 2.517 50 0 IFAARN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000013004195 568898877 /nfs/dbraw/zinc/89/88/77/568898877.db2.gz AAJSFKZIPJPULW-WOJBJXKFSA-N 0 0 442.537 2.805 50 0 IFAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000013005609 568899274 /nfs/dbraw/zinc/89/92/74/568899274.db2.gz JCRXTKGGMWYYDH-GOSISDBHSA-N 0 0 436.530 2.814 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl ZINC000013007830 568899545 /nfs/dbraw/zinc/89/95/45/568899545.db2.gz YWLZWGBINRWHEH-QGZVFWFLSA-N 0 0 434.945 2.996 50 0 IFAARN CCN(Cc1cccc(F)c1)C(=O)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000016427551 568900747 /nfs/dbraw/zinc/90/07/47/568900747.db2.gz HRLIKGGLPGDKKW-UHFFFAOYSA-N 0 0 447.576 2.879 50 0 IFAARN Cc1ccc(CN(C)C(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000016428781 568900871 /nfs/dbraw/zinc/90/08/71/568900871.db2.gz HRGATRWQCGXXBE-UHFFFAOYSA-N 0 0 447.576 2.798 50 0 IFAARN CCS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CC1 ZINC000013011896 568901086 /nfs/dbraw/zinc/90/10/86/568901086.db2.gz QNKLRIHONFGDOR-UHFFFAOYSA-N 0 0 436.555 2.730 50 0 IFAARN O=S(=O)(c1ccc(F)c(F)c1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000013013007 568901122 /nfs/dbraw/zinc/90/11/22/568901122.db2.gz PXHPBSAFSYHDAH-UHFFFAOYSA-N 0 0 442.509 2.891 50 0 IFAARN CC(C)[C@@H](CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CCOCC1 ZINC000013015064 568901431 /nfs/dbraw/zinc/90/14/31/568901431.db2.gz YFUHICZZEHCLJM-JOCHJYFZSA-N 0 0 435.524 2.569 50 0 IFAARN CCS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)CC1 ZINC000013017981 568901776 /nfs/dbraw/zinc/90/17/76/568901776.db2.gz NZTCXNGYAFYRFN-UHFFFAOYSA-N 0 0 428.514 2.742 50 0 IFAARN O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013024155 568902518 /nfs/dbraw/zinc/90/25/18/568902518.db2.gz NWSUIQLRNLGCDJ-UHFFFAOYSA-N 0 0 430.917 2.672 50 0 IFAARN Cc1cccc(C)c1OC[C@H](O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013022882 568902602 /nfs/dbraw/zinc/90/26/02/568902602.db2.gz SZPXQMDQXBGCKR-HXUWFJFHSA-N 0 0 436.549 2.579 50 0 IFAARN COC(=O)c1cn(-c2ccc3c(c2)nc(CO)n3CCc2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000253415002 568903326 /nfs/dbraw/zinc/90/33/26/568903326.db2.gz ZINSMULKOJRFBC-UHFFFAOYSA-N 0 0 443.463 2.537 50 0 IFAARN O=S(=O)(NCCCCCCNS(=O)(=O)c1ccccc1F)c1ccccc1F ZINC000001795950 568908224 /nfs/dbraw/zinc/90/82/24/568908224.db2.gz JKFQHBYHDDLIHA-UHFFFAOYSA-N 0 0 432.514 2.782 50 0 IFAARN O=C([C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1 ZINC000238923847 568910278 /nfs/dbraw/zinc/91/02/78/568910278.db2.gz PMKWEFMDZGGEHB-MXVIHJGJSA-N 0 0 431.540 2.947 50 0 IFAARN O=C([C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000238950858 568910458 /nfs/dbraw/zinc/91/04/58/568910458.db2.gz ZZICPWHSWMHUCI-HZCBDIJESA-N 0 0 445.567 2.942 50 0 IFAARN CCN(CC)C(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000239164808 568910629 /nfs/dbraw/zinc/91/06/29/568910629.db2.gz MYIJCHMIRGSJHK-YOEHRIQHSA-N 0 0 436.350 2.661 50 0 IFAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000239439105 568911728 /nfs/dbraw/zinc/91/17/28/568911728.db2.gz ZKXHQSHCOVDPJB-APNJTCTJSA-N 0 0 434.398 2.692 50 0 IFAARN COc1ccc(OC[C@H](O)CN(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245229482 568913109 /nfs/dbraw/zinc/91/31/09/568913109.db2.gz YWOCTZSRUMJIJE-ZWKOTPCHSA-N 0 0 439.961 2.778 50 0 IFAARN COc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1OC ZINC000245245210 568913297 /nfs/dbraw/zinc/91/32/97/568913297.db2.gz BZYJITTWENPWEU-JTDSTZFVSA-N 0 0 440.443 2.973 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NC[C@@H](O)c3ccccc3)CC2)cc1 ZINC000245255391 568913566 /nfs/dbraw/zinc/91/35/66/568913566.db2.gz HEUPQPBHWIIXPE-SFGWALBWSA-N 0 0 446.569 2.630 50 0 IFAARN COc1ccc(OC)c([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)c1 ZINC000245256076 568913720 /nfs/dbraw/zinc/91/37/20/568913720.db2.gz NLBUSGYDKDNNBP-JTDSTZFVSA-N 0 0 442.365 2.947 50 0 IFAARN O=C(CNc1cccc(I)c1)NC(=O)NCCc1cccs1 ZINC000026782277 568916861 /nfs/dbraw/zinc/91/68/61/568916861.db2.gz OVEJXJCZKQYMQB-UHFFFAOYSA-N 0 0 429.283 2.833 50 0 IFAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000247988167 568918827 /nfs/dbraw/zinc/91/88/27/568918827.db2.gz ZPKGMTPGTKOPNI-KEXUJGGDSA-N 0 0 437.883 2.780 50 0 IFAARN CCc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000089289544 568919698 /nfs/dbraw/zinc/91/96/98/568919698.db2.gz RKSATWYFJFMWHC-UHFFFAOYSA-N 0 0 437.512 2.781 50 0 IFAARN CCn1cc(NC(=O)C2CCN(C(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)CC2)cn1 ZINC000089306084 568920318 /nfs/dbraw/zinc/92/03/18/568920318.db2.gz ZAYJXWRMCNLPNH-QFIPXVFZSA-N 0 0 433.553 2.870 50 0 IFAARN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000089326615 568920942 /nfs/dbraw/zinc/92/09/42/568920942.db2.gz WPWPZBXNOGFRDU-NRFANRHFSA-N 0 0 445.541 2.706 50 0 IFAARN COCCOC(=O)c1sc2ncn(CC(=O)Nc3cccc(C)c3C)c(=O)c2c1C ZINC000001971074 568924183 /nfs/dbraw/zinc/92/41/83/568924183.db2.gz HUBIYNWQOLFUOZ-UHFFFAOYSA-N 0 0 429.498 2.825 50 0 IFAARN COc1cccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3cccc(OC)c3OC)C2)c1 ZINC000089469737 568926365 /nfs/dbraw/zinc/92/63/65/568926365.db2.gz HVFSBEMFSSPVCD-NRFANRHFSA-N 0 0 439.512 2.722 50 0 IFAARN CCc1ccc(NS(=O)(=O)c2ccc3c(c2)N(Cc2noc(C)n2)C(=O)CO3)cc1 ZINC000064450573 568928568 /nfs/dbraw/zinc/92/85/68/568928568.db2.gz XWDSHFRIPITGPG-UHFFFAOYSA-N 0 0 428.470 2.667 50 0 IFAARN COc1ccccc1-n1c(=O)n(CC(=O)N2CCCC[C@@H]2C)c(=O)c2c(C)cc(C)nc21 ZINC000064450242 568928709 /nfs/dbraw/zinc/92/87/09/568928709.db2.gz DFJTXDMSFFIYSG-KRWDZBQOSA-N 0 0 436.512 2.574 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccccc4C)cc32)no1 ZINC000064450664 568928778 /nfs/dbraw/zinc/92/87/78/568928778.db2.gz DGQWTSZZEUCVCN-UHFFFAOYSA-N 0 0 428.470 2.667 50 0 IFAARN Cc1cccc(-c2nc3sc(N4CCN(CC(N)=O)CC4)nn3c2NC(C)(C)C)c1 ZINC000064452035 568929306 /nfs/dbraw/zinc/92/93/06/568929306.db2.gz NIUBEVCCKKKXBA-UHFFFAOYSA-N 0 0 427.578 2.584 50 0 IFAARN COc1ccccc1C(=O)Nc1cc2c(cc1N1CCC(C)CC1)n(C)c(=O)c(=O)n2C ZINC000064526196 568931224 /nfs/dbraw/zinc/93/12/24/568931224.db2.gz BENCCPSMGJFCOT-UHFFFAOYSA-N 0 0 436.512 2.734 50 0 IFAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(S(=O)(=O)c1cccs1)C2 ZINC000064566531 568933555 /nfs/dbraw/zinc/93/35/55/568933555.db2.gz MVIMVWPBLUHYRK-UHFFFAOYSA-N 0 0 441.538 2.869 50 0 IFAARN CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)N(C)C)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000035966411 568935116 /nfs/dbraw/zinc/93/51/16/568935116.db2.gz DFHMGYHHBCGGJO-WIYYLYMNSA-N 0 0 426.561 2.989 50 0 IFAARN COc1cc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)cc(OC)c1 ZINC000064593464 568935849 /nfs/dbraw/zinc/93/58/49/568935849.db2.gz VSNXXQCIDZDDSG-UHFFFAOYSA-N 0 0 437.481 2.628 50 0 IFAARN Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1CCNC(=O)C(=O)Nc1ccccc1 ZINC000016689742 568938185 /nfs/dbraw/zinc/93/81/85/568938185.db2.gz ULVUZYLOZNOJQG-IBGZPJMESA-N 0 0 447.532 2.822 50 0 IFAARN Cc1cc(C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)c(C)n1C1CC1 ZINC000016695216 568938910 /nfs/dbraw/zinc/93/89/10/568938910.db2.gz YDFYKHQZSSTIKR-IBGZPJMESA-N 0 0 436.574 2.945 50 0 IFAARN Cc1cc(C)c2c(=O)n(CC(=O)N(Cc3ccccc3)c3ccccc3)c(=O)n(C)c2n1 ZINC000064604612 568938938 /nfs/dbraw/zinc/93/89/38/568938938.db2.gz DCHAMCQEGHVSPQ-UHFFFAOYSA-N 0 0 428.492 2.945 50 0 IFAARN C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O ZINC000002068153 568941334 /nfs/dbraw/zinc/94/13/34/568941334.db2.gz XSNLHIWRTQZZSU-PZKYHXORSA-N 0 0 434.286 2.595 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccccc1F ZINC000035991089 568941783 /nfs/dbraw/zinc/94/17/83/568941783.db2.gz MRZIBNOJDAVASX-YWZLYKJASA-N 0 0 447.507 2.614 50 0 IFAARN CCCCNC(=O)[C@@H]1CN(C(=S)NC(C)C)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044710 568943977 /nfs/dbraw/zinc/94/39/77/568943977.db2.gz VXVDGSPJZDCPTA-IAGOWNOFSA-N 0 0 437.606 2.927 50 0 IFAARN CN(CC(=O)N1CCOCC1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704389 568944710 /nfs/dbraw/zinc/94/47/10/568944710.db2.gz MOVDPKSOUVGJGG-UHFFFAOYSA-N 0 0 428.562 2.963 50 0 IFAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)CC ZINC000036074095 568946236 /nfs/dbraw/zinc/94/62/36/568946236.db2.gz ZWRWNXVXDPONOI-UHFFFAOYSA-N 0 0 439.560 2.840 50 0 IFAARN CC(C)CNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085668 568948060 /nfs/dbraw/zinc/94/80/60/568948060.db2.gz QEYNABZQKGLJIB-UHFFFAOYSA-N 0 0 430.867 2.621 50 0 IFAARN O=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085943 568948211 /nfs/dbraw/zinc/94/82/11/568948211.db2.gz QCTWHMBEIKBPSE-UHFFFAOYSA-N 0 0 448.429 2.651 50 0 IFAARN CCN(CC)C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036085782 568948274 /nfs/dbraw/zinc/94/82/74/568948274.db2.gz BHECTZRRFRQLPU-UHFFFAOYSA-N 0 0 430.867 2.717 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036086432 568948609 /nfs/dbraw/zinc/94/86/09/568948609.db2.gz ISHRBMJFPJIDPX-KRWDZBQOSA-N 0 0 436.512 2.596 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036086493 568948698 /nfs/dbraw/zinc/94/86/98/568948698.db2.gz YWBIQFCGNCOBFM-UHFFFAOYSA-N 0 0 426.476 2.681 50 0 IFAARN O=C(NCc1ccco1)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2ccccc2)c1=O ZINC000036087339 568948743 /nfs/dbraw/zinc/94/87/43/568948743.db2.gz GALRGHRSICLGOX-UHFFFAOYSA-N 0 0 436.855 2.619 50 0 IFAARN CC(C)CNC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036087347 568948837 /nfs/dbraw/zinc/94/88/37/568948837.db2.gz AGCXNLDUHMZSMI-UHFFFAOYSA-N 0 0 430.867 2.621 50 0 IFAARN Cc1ccc(-n2nc(C(=O)NC3CC3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000036086604 568948982 /nfs/dbraw/zinc/94/89/82/568948982.db2.gz NROBNPHSPJOZJI-UHFFFAOYSA-N 0 0 444.413 2.662 50 0 IFAARN Cc1cccc(-n2nc(C(=O)NC(C)C)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)c1 ZINC000036086887 568949229 /nfs/dbraw/zinc/94/92/29/568949229.db2.gz OTMDNUXUKIRNOM-UHFFFAOYSA-N 0 0 446.429 2.908 50 0 IFAARN COc1ccc(-n2nc(C(=O)N(C)C3CCCCC3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036087155 568949329 /nfs/dbraw/zinc/94/93/29/568949329.db2.gz VKXIGKUZEMAURY-UHFFFAOYSA-N 0 0 448.523 2.856 50 0 IFAARN Cc1cc(C)cc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036093941 568950839 /nfs/dbraw/zinc/95/08/39/568950839.db2.gz NLCQSFNZXIPWFE-UHFFFAOYSA-N 0 0 440.503 2.989 50 0 IFAARN COCCNc1c(-c2cccc(F)c2)nc2sc(C(=O)N3CCN(C)CC3)c(C)n21 ZINC000064761198 568952301 /nfs/dbraw/zinc/95/23/01/568952301.db2.gz CGUOTMMPJJZJSS-UHFFFAOYSA-N 0 0 431.537 2.956 50 0 IFAARN COCCNc1c(-c2ccc(F)cc2)nc2sc(C(=O)N3CCN(C)CC3)c(C)n21 ZINC000064761292 568952314 /nfs/dbraw/zinc/95/23/14/568952314.db2.gz VNFWZIJLYVIKJE-UHFFFAOYSA-N 0 0 431.537 2.956 50 0 IFAARN COc1ccc([C@@H]2SCC(=O)N2[C@@H]2C(=O)N(c3ccccc3)N(C)[C@H]2C)c(OC)c1 ZINC000036108836 568953764 /nfs/dbraw/zinc/95/37/64/568953764.db2.gz VZOZFTFPRORIHG-FSJXIACGSA-N 0 0 427.526 2.929 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccccc1F ZINC000064775068 568954207 /nfs/dbraw/zinc/95/42/07/568954207.db2.gz TYLHGYOUCOOTND-UHFFFAOYSA-N 0 0 435.459 2.514 50 0 IFAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc3ccc(F)cc3F)c2)no1 ZINC000064772264 568954351 /nfs/dbraw/zinc/95/43/51/568954351.db2.gz ODJMBKDVDICDNA-UHFFFAOYSA-N 0 0 436.440 2.891 50 0 IFAARN Cc1cc(NCCC(=O)N2CCN(c3ccccc3)CC2)n2nc(-c3cccnc3)nc2n1 ZINC000064791144 568957341 /nfs/dbraw/zinc/95/73/41/568957341.db2.gz DWPDDMPSEGKEPW-UHFFFAOYSA-N 0 0 442.527 2.646 50 0 IFAARN O=C(CN1c2nnnn2[C@@H](c2ccc(Cl)cc2)C=C1c1ccccc1)N1CCOCC1 ZINC000064793565 568959814 /nfs/dbraw/zinc/95/98/14/568959814.db2.gz DCJKZJXWNJJFMF-HXUWFJFHSA-N 0 0 436.903 2.636 50 0 IFAARN Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3ccc(Cl)cc3)c(=O)n(C)c2n1 ZINC000064814997 568964196 /nfs/dbraw/zinc/96/41/96/568964196.db2.gz KIMZCNDIGUQIQT-UHFFFAOYSA-N 0 0 426.904 2.731 50 0 IFAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(C)C)cc2)cn1C ZINC000064818967 568965648 /nfs/dbraw/zinc/96/56/48/568965648.db2.gz KXCANVJFNDMYHF-SFHVURJKSA-N 0 0 433.530 2.727 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cn1C ZINC000064819015 568965885 /nfs/dbraw/zinc/96/58/85/568965885.db2.gz YHOPRZPWXJOJMP-GOSISDBHSA-N 0 0 433.530 2.610 50 0 IFAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)NCC4CC4)cc3nc2N2CCOCC2)cc1C ZINC000064819304 568966229 /nfs/dbraw/zinc/96/62/29/568966229.db2.gz WACZREBVTUQNAD-UHFFFAOYSA-N 0 0 432.524 2.979 50 0 IFAARN COCC(=O)N1CCS[C@]12c1cc(OC)ccc1N(Cc1ccc(F)c(F)c1)C2=O ZINC000036167543 568968480 /nfs/dbraw/zinc/96/84/80/568968480.db2.gz RULDFUHSJPCNLQ-NRFANRHFSA-N 0 0 434.464 2.895 50 0 IFAARN O=C(Cc1ccc(Cl)cc1)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 ZINC000064835382 568968783 /nfs/dbraw/zinc/96/87/83/568968783.db2.gz KDAMYNQYAHBIIO-UHFFFAOYSA-N 0 0 439.943 2.745 50 0 IFAARN CCOc1ccc(CNC(=O)c2cc(=O)nc3sc(N4CCC[C@@H](C)C4)nn32)cc1 ZINC000064836914 568969582 /nfs/dbraw/zinc/96/95/82/568969582.db2.gz JGLHQZDVDRBQST-CQSZACIVSA-N 0 0 427.530 2.716 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccccc3F)n2)cc1 ZINC000064841978 568970583 /nfs/dbraw/zinc/97/05/83/568970583.db2.gz DXGVWJAKZZOVSI-UHFFFAOYSA-N 0 0 433.461 2.854 50 0 IFAARN COc1ccc(OCc2nc(CCN(C)S(=O)(=O)c3ccc(F)cc3F)no2)cc1 ZINC000064842053 568970618 /nfs/dbraw/zinc/97/06/18/568970618.db2.gz ZWVDHCBKKKNVSM-UHFFFAOYSA-N 0 0 439.440 2.799 50 0 IFAARN CCN(Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[nH]1)C[C@H](O)COC(C)(C)C ZINC000036206851 568972920 /nfs/dbraw/zinc/97/29/20/568972920.db2.gz QFCSQPTXOXWZDS-AWEZNQCLSA-N 0 0 439.578 2.856 50 0 IFAARN Cc1ccc(C(=O)N2CCC([C@H](NC(=O)c3cccs3)C(=O)NC3CC3)CC2)cc1 ZINC000036209510 568973644 /nfs/dbraw/zinc/97/36/44/568973644.db2.gz HRPSYKWRUIMZQV-FQEVSTJZSA-N 0 0 425.554 2.986 50 0 IFAARN COc1ccc(C(=O)N[C@H](C(=O)NC(C)C)C2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000036210289 568974660 /nfs/dbraw/zinc/97/46/60/568974660.db2.gz RPTNWONQWLDUPY-NRFANRHFSA-N 0 0 429.561 2.747 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)NC2CC2)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036210389 568974684 /nfs/dbraw/zinc/97/46/84/568974684.db2.gz LTQGDWLHKNJWQN-JOCHJYFZSA-N 0 0 435.524 2.625 50 0 IFAARN COc1cccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)C(C)C)CC2)c1 ZINC000036210877 568974696 /nfs/dbraw/zinc/97/46/96/568974696.db2.gz LOLGNVFCAMFPPF-OAQYLSRUSA-N 0 0 429.561 2.701 50 0 IFAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2cc(OC)ccc2OC)c2ccccc2N1 ZINC000064869184 568975652 /nfs/dbraw/zinc/97/56/52/568975652.db2.gz MHDDCLHRMBWAGA-UHFFFAOYSA-N 0 0 425.441 2.548 50 0 IFAARN COc1cccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3)C(=O)NC3CC3)CC2)c1 ZINC000036212666 568976637 /nfs/dbraw/zinc/97/66/37/568976637.db2.gz NHXKPCOEJGLSPF-QFIPXVFZSA-N 0 0 435.524 2.625 50 0 IFAARN COc1cccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000036211246 568977078 /nfs/dbraw/zinc/97/70/78/568977078.db2.gz COZKXWIUECDCET-HSZRJFAPSA-N 0 0 449.551 2.968 50 0 IFAARN CCNC(=O)N1CCC([C@@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1 ZINC000036213911 568977623 /nfs/dbraw/zinc/97/76/23/568977623.db2.gz YYOBURLJQISWGV-LJQANCHMSA-N 0 0 434.968 2.892 50 0 IFAARN COc1ccc(CCNC(=O)Cn2c3ccccc3n3c(nnc3C(C)C)c2=O)cc1OC ZINC000064871702 568977788 /nfs/dbraw/zinc/97/77/88/568977788.db2.gz XNDHTMIXICUZJV-UHFFFAOYSA-N 0 0 449.511 2.544 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3nccnc32)c(C)c1 ZINC000064874347 568978579 /nfs/dbraw/zinc/97/85/79/568978579.db2.gz CZIDCKZIMLFLQJ-UHFFFAOYSA-N 0 0 429.480 2.565 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000036227581 568978652 /nfs/dbraw/zinc/97/86/52/568978652.db2.gz LZFSHTCNAFCCSQ-UHFFFAOYSA-N 0 0 445.438 2.790 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3nccnc32)cc1Cl ZINC000064887708 568979185 /nfs/dbraw/zinc/97/91/85/568979185.db2.gz CFRRYJFNUULUHN-UHFFFAOYSA-N 0 0 449.898 2.796 50 0 IFAARN Cc1cccc(CN2CCN(CC(=O)N3CCC(Cc4ccccc4)CC3)C(=O)C2=O)c1 ZINC000064888822 568979508 /nfs/dbraw/zinc/97/95/08/568979508.db2.gz KJGXUOSXQFDUTG-UHFFFAOYSA-N 0 0 433.552 2.647 50 0 IFAARN O=C(CCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1ccc(F)cc1 ZINC000064889249 568979843 /nfs/dbraw/zinc/97/98/43/568979843.db2.gz KCXFNKLGVXTVPL-UHFFFAOYSA-N 0 0 431.493 2.774 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000064889283 568979861 /nfs/dbraw/zinc/97/98/61/568979861.db2.gz HMLPHRIOMIVFHZ-UHFFFAOYSA-N 0 0 441.435 2.729 50 0 IFAARN O=C(CCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NC1CCCCCC1 ZINC000064889238 568979907 /nfs/dbraw/zinc/97/99/07/568979907.db2.gz FXNCNZWZFDVANO-UHFFFAOYSA-N 0 0 433.578 2.835 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)NCc1ccc(Cl)cc1 ZINC000064889366 568979910 /nfs/dbraw/zinc/97/99/10/568979910.db2.gz FWYIRJBFKFTIDH-UHFFFAOYSA-N 0 0 449.964 2.822 50 0 IFAARN Cc1ccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)c(C)c1 ZINC000064889187 568980210 /nfs/dbraw/zinc/98/02/10/568980210.db2.gz ABVTZKLYSTYLQY-UHFFFAOYSA-N 0 0 427.530 2.861 50 0 IFAARN COc1ccc(NC(=O)CCn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)cc1 ZINC000064892033 568982851 /nfs/dbraw/zinc/98/28/51/568982851.db2.gz PVIHLIRUDRUNSI-MRXNPFEDSA-N 0 0 432.480 2.872 50 0 IFAARN O=C(NC[C@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036253950 568984590 /nfs/dbraw/zinc/98/45/90/568984590.db2.gz UDELOTFNDCZLTK-RTWAWAEBSA-N 0 0 433.980 2.952 50 0 IFAARN O=C(COc1ccc(Cl)cc1)N1CCN([C@H](C(=O)NCC2CC2)C2CCCC2)CC1 ZINC000036254515 568984724 /nfs/dbraw/zinc/98/47/24/568984724.db2.gz KTPSRSXIYFSXHG-QFIPXVFZSA-N 0 0 433.980 2.948 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)s1)N1CCCCC1 ZINC000064919734 568985268 /nfs/dbraw/zinc/98/52/68/568985268.db2.gz BGZXABDXNWGGTJ-UHFFFAOYSA-N 0 0 433.599 2.814 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1C ZINC000064920830 568985408 /nfs/dbraw/zinc/98/54/08/568985408.db2.gz KATIKMBVHDHWER-SFHVURJKSA-N 0 0 443.525 2.735 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C1CCCCC1)O[C@H](C)C(=O)N2 ZINC000064921033 568985594 /nfs/dbraw/zinc/98/55/94/568985594.db2.gz YWLRSEZBFBWHIT-CRAIPNDOSA-N 0 0 449.573 2.659 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)N(C)C1CCCCC1)O[C@H](C)C(=O)N2 ZINC000064921035 568985630 /nfs/dbraw/zinc/98/56/30/568985630.db2.gz YWLRSEZBFBWHIT-QAPCUYQASA-N 0 0 449.573 2.659 50 0 IFAARN Cc1c(S(=O)(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc(C(=O)N2CCCC2)n1C ZINC000064922110 568985778 /nfs/dbraw/zinc/98/57/78/568985778.db2.gz DWUODAJXHKOKKH-SFHVURJKSA-N 0 0 444.601 2.777 50 0 IFAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2NC1=O ZINC000064922012 568985794 /nfs/dbraw/zinc/98/57/94/568985794.db2.gz ZHZFHNNCTDLIAV-IBGZPJMESA-N 0 0 443.525 2.836 50 0 IFAARN Cc1c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc(C(=O)N2CCCCC2)n1C ZINC000064922296 568985963 /nfs/dbraw/zinc/98/59/63/568985963.db2.gz ZDRKLQYWXWFIKE-UHFFFAOYSA-N 0 0 448.564 2.610 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)n1C ZINC000064923290 568986198 /nfs/dbraw/zinc/98/61/98/568986198.db2.gz ZAKVQZALEGJAHN-UHFFFAOYSA-N 0 0 425.938 2.675 50 0 IFAARN Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)NC1CCCCCC1 ZINC000064924942 568986351 /nfs/dbraw/zinc/98/63/51/568986351.db2.gz DMEYFEVNFMAPGX-UHFFFAOYSA-N 0 0 426.565 2.887 50 0 IFAARN Cc1nn(-c2cc(N(C)C)ncn2)c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000064925186 568986366 /nfs/dbraw/zinc/98/63/66/568986366.db2.gz ONKWTJJPTBOBEH-UHFFFAOYSA-N 0 0 433.560 2.627 50 0 IFAARN CCOc1ccc(-n2c(=O)c3sc4ncccc4c3n(CC(=O)NC(C)C)c2=O)cc1 ZINC000064941965 568991234 /nfs/dbraw/zinc/99/12/34/568991234.db2.gz MKMZFELISUTTRU-UHFFFAOYSA-N 0 0 438.509 2.685 50 0 IFAARN O=C(Cn1c2c3cccnc3sc2c(=O)n(C[C@@H]2CCCO2)c1=O)Nc1ccccc1 ZINC000064942135 568991300 /nfs/dbraw/zinc/99/13/00/568991300.db2.gz QSNGSHDIIVZUCZ-HNNXBMFYSA-N 0 0 436.493 2.591 50 0 IFAARN Cc1cc(C)cc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Cl)cc3)ccc2=O)c1 ZINC000064943118 568992391 /nfs/dbraw/zinc/99/23/91/568992391.db2.gz OKECJVPLROVBST-UHFFFAOYSA-N 0 0 431.901 2.985 50 0 IFAARN Cc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3C)n2)cc1 ZINC000064943353 568992430 /nfs/dbraw/zinc/99/24/30/568992430.db2.gz KLYMJZSBFBEYEN-UHFFFAOYSA-N 0 0 431.901 2.985 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)Nc4ccccc4CC)cc3oc2=O)no1 ZINC000064946878 568993928 /nfs/dbraw/zinc/99/39/28/568993928.db2.gz MVICOCYIOVVKOX-UHFFFAOYSA-N 0 0 428.470 2.951 50 0 IFAARN C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)N5CCc6ccccc6C5)nc4c23)C1 ZINC000064945952 568994001 /nfs/dbraw/zinc/99/40/01/568994001.db2.gz CFDFFQPOCINGPH-CQSZACIVSA-N 0 0 433.537 2.815 50 0 IFAARN COc1cccc(CNC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)C[C@@H](C)CC5)c1 ZINC000064945914 568994071 /nfs/dbraw/zinc/99/40/71/568994071.db2.gz ZJIVMNWXKPNYDE-ZDUSSCGKSA-N 0 0 437.525 2.556 50 0 IFAARN COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)c1 ZINC000064957662 568999081 /nfs/dbraw/zinc/99/90/81/568999081.db2.gz GUYLOAMRAPIUPV-UHFFFAOYSA-N 0 0 436.534 2.521 50 0 IFAARN Cc1ccc(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3N3CCCC[C@@H]3C2=O)nc1 ZINC000064966720 569001486 /nfs/dbraw/zinc/00/14/86/569001486.db2.gz OBLYFVZWODTXJU-HXUWFJFHSA-N 0 0 447.539 2.970 50 0 IFAARN COc1ccccc1C1=NN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000036344827 569080476 /nfs/dbraw/zinc/08/04/76/569080476.db2.gz KHVPLGJPAKTKNN-JOCHJYFZSA-N 0 0 438.503 2.676 50 0 IFAARN CC(C)CNC(=O)[C@@H](NC(=O)CC(C)C)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036347152 569081583 /nfs/dbraw/zinc/08/15/83/569081583.db2.gz HDOKZKFFOXNFPZ-QFIPXVFZSA-N 0 0 445.560 2.571 50 0 IFAARN CC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccccc2Br)c1=O ZINC000064987505 569082701 /nfs/dbraw/zinc/08/27/01/569082701.db2.gz KCVJATLVRRHPGB-UHFFFAOYSA-N 0 0 429.274 2.780 50 0 IFAARN CCN1CCN(S(=O)(=O)c2cc(-c3nnc(-c4ccccc4)o3)ccc2OC)CC1 ZINC000064988113 569082777 /nfs/dbraw/zinc/08/27/77/569082777.db2.gz QXBMGFSBSNQUTR-UHFFFAOYSA-N 0 0 428.514 2.738 50 0 IFAARN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000064988695 569083672 /nfs/dbraw/zinc/08/36/72/569083672.db2.gz DPKIABGYQJOPRV-FQEVSTJZSA-N 0 0 445.541 2.691 50 0 IFAARN CN(Cc1ccccc1)C(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O ZINC000036357272 569084476 /nfs/dbraw/zinc/08/44/76/569084476.db2.gz OBXCUMPLTYJHMT-UHFFFAOYSA-N 0 0 447.535 2.999 50 0 IFAARN COc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1OC ZINC000064991592 569084573 /nfs/dbraw/zinc/08/45/73/569084573.db2.gz AOPXERJNRAOOOZ-UHFFFAOYSA-N 0 0 448.526 2.595 50 0 IFAARN CCc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000064991734 569084664 /nfs/dbraw/zinc/08/46/64/569084664.db2.gz IREHLLKUHDGZRD-UHFFFAOYSA-N 0 0 446.510 2.560 50 0 IFAARN O=C(Cc1noc(C(=O)NCCc2c[nH]c3ccccc23)n1)Nc1ccc(F)cc1F ZINC000036358229 569084982 /nfs/dbraw/zinc/08/49/82/569084982.db2.gz BTVSRYSOTSTLKJ-UHFFFAOYSA-N 0 0 425.395 2.983 50 0 IFAARN COc1cc(NC(=O)c2nn(-c3ccc(C)cc3)c3c2ncn(C)c3=O)cc(OC)c1OC ZINC000064998288 569085172 /nfs/dbraw/zinc/08/51/72/569085172.db2.gz MBBZILAGOROBGL-UHFFFAOYSA-N 0 0 449.467 2.706 50 0 IFAARN COc1cccc(-c2noc(Cn3c4ccccc4c(=O)n(Cc4ccco4)c3=O)n2)c1 ZINC000064998914 569085532 /nfs/dbraw/zinc/08/55/32/569085532.db2.gz BCTSICVMLYBANM-UHFFFAOYSA-N 0 0 430.420 2.911 50 0 IFAARN O=C(NC[C@H](c1cccs1)N1CCCC1)C1=C(c2ccccc2)S(=O)(=O)CCO1 ZINC000036360527 569086476 /nfs/dbraw/zinc/08/64/76/569086476.db2.gz MLHMOLCMTQFIFO-QGZVFWFLSA-N 0 0 432.567 2.815 50 0 IFAARN C[NH+](C)CCC[NH2+][C@H](C(=O)[O-])c1cn(CCC(=O)[O-])c2cc(Br)ccc12 ZINC000036365894 569087011 /nfs/dbraw/zinc/08/70/11/569087011.db2.gz XUOAFSDUVZCOKS-KRWDZBQOSA-N 0 0 426.311 2.546 50 0 IFAARN Cc1csc(-c2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)n2C)n1 ZINC000065009048 569087893 /nfs/dbraw/zinc/08/78/93/569087893.db2.gz OLZAYGPEEIBDCG-UHFFFAOYSA-N 0 0 434.543 2.505 50 0 IFAARN CN1C=C(C(=O)N2CCCC2)C(=O)C1c1nc2cc(NC(=O)[C@@H]3CCCO3)ccc2n1C ZINC000036370029 569088512 /nfs/dbraw/zinc/08/85/12/569088512.db2.gz PODXBBBNXUYWCY-SFHVURJKSA-N 0 0 437.500 2.638 50 0 IFAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4ccc(F)cc4)c(C)cc32)no1 ZINC000065022645 569088966 /nfs/dbraw/zinc/08/89/66/569088966.db2.gz ZGJKMDKKAWBLJQ-UHFFFAOYSA-N 0 0 446.460 2.806 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N3CCC(C(=O)N[C@H](C)CC)CC3)cc2sc1=O ZINC000065022284 569089079 /nfs/dbraw/zinc/08/90/79/569089079.db2.gz ORQSMWFZQAJABL-CQSZACIVSA-N 0 0 439.603 2.788 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCCCCC1)OCC(=O)N2Cc1noc(C2CC2)n1 ZINC000065022771 569089809 /nfs/dbraw/zinc/08/98/09/569089809.db2.gz KCTLKMXSXAFIEU-UHFFFAOYSA-N 0 0 446.529 2.746 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCCC[C@@H]1C)OCC(=O)N2Cc1noc(C2CC2)n1 ZINC000065022777 569089814 /nfs/dbraw/zinc/08/98/14/569089814.db2.gz KJVGZBURQLILSD-AWEZNQCLSA-N 0 0 446.529 2.744 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccc(C)c(C)c1 ZINC000065029939 569091257 /nfs/dbraw/zinc/09/12/57/569091257.db2.gz QWVHLEJTDFVRGO-UHFFFAOYSA-N 0 0 444.561 2.900 50 0 IFAARN Cc1cccc(NC(=O)NCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)c1C ZINC000065029849 569091362 /nfs/dbraw/zinc/09/13/62/569091362.db2.gz YCTNCWWFMXMBLA-UHFFFAOYSA-N 0 0 442.545 2.654 50 0 IFAARN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000036382466 569092633 /nfs/dbraw/zinc/09/26/33/569092633.db2.gz MXDLDUWRLWADJC-GOTSBHOMSA-N 0 0 437.540 2.580 50 0 IFAARN CC(=O)C[C@@H]1N(C2CCCCCC2)C(=O)[C@@H]2N(c3ccccc3C)C(=O)[C@@H]3CC(=O)O[C@]321 ZINC000169752411 569093296 /nfs/dbraw/zinc/09/32/96/569093296.db2.gz LCJFUACRXBTLBP-ACYIZFCASA-N 0 0 438.524 2.925 50 0 IFAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)NCc2ccc(C)cc2)C2=C1C(=O)OC2 ZINC000169758122 569094221 /nfs/dbraw/zinc/09/42/21/569094221.db2.gz WCFBCFICBKNZAZ-JOCHJYFZSA-N 0 0 435.480 2.587 50 0 IFAARN COc1cccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccccc3Cl)NC2=O)c1 ZINC000169758010 569094234 /nfs/dbraw/zinc/09/42/34/569094234.db2.gz MJSPBZSSUGDCGY-IBGZPJMESA-N 0 0 427.844 2.865 50 0 IFAARN O=C(NCc1ccco1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000169758713 569094442 /nfs/dbraw/zinc/09/44/42/569094442.db2.gz IHFBXJUTTVPDFT-OAQYLSRUSA-N 0 0 434.496 2.916 50 0 IFAARN Cc1noc2nc(CCC(=O)NCc3ccc(F)cc3Cl)nc(N3CCOCC3)c12 ZINC000065056501 569094915 /nfs/dbraw/zinc/09/49/15/569094915.db2.gz MKYIUBKLNMCEKG-UHFFFAOYSA-N 0 0 433.871 2.804 50 0 IFAARN CCc1ccc(NC(=O)Cn2c(=O)c3cnc(-c4ccc(C)cc4)nc3n(C)c2=O)cc1 ZINC000065057185 569095126 /nfs/dbraw/zinc/09/51/26/569095126.db2.gz BAMOKRXDERTQAD-UHFFFAOYSA-N 0 0 429.480 2.667 50 0 IFAARN CC(C)c1ccc(NC(=O)Cn2c(=O)c3cnc(-c4ccccc4)nc3n(C)c2=O)cc1 ZINC000065057394 569095664 /nfs/dbraw/zinc/09/56/64/569095664.db2.gz NCJFBFDPRIYTBS-UHFFFAOYSA-N 0 0 429.480 2.919 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)c3cnc(-c4ccccc4)nc3n(C)c2=O)c(Cl)c1 ZINC000065057420 569095668 /nfs/dbraw/zinc/09/56/68/569095668.db2.gz NZFKOFLTYFYHNE-UHFFFAOYSA-N 0 0 435.871 2.758 50 0 IFAARN COc1ccc(NC(=O)Nc2nccn(-c3ccc(OC)c(OC)c3)c2=O)cc1OC ZINC000065060800 569096181 /nfs/dbraw/zinc/09/61/81/569096181.db2.gz WEFVYVAVBBQGAN-UHFFFAOYSA-N 0 0 426.429 2.911 50 0 IFAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1nnc(C)s1 ZINC000006878493 569096300 /nfs/dbraw/zinc/09/63/00/569096300.db2.gz QXAAUKWIUCARCJ-UHFFFAOYSA-N 0 0 445.574 2.987 50 0 IFAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1nnc(C)s1 ZINC000006878495 569096336 /nfs/dbraw/zinc/09/63/36/569096336.db2.gz ZGSVQBGFUNOLTP-UHFFFAOYSA-N 0 0 431.547 2.678 50 0 IFAARN COc1ccc(CNC(=O)[C@H](C)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000065061417 569096448 /nfs/dbraw/zinc/09/64/48/569096448.db2.gz ZNPMGGBTVXPXGN-CQSZACIVSA-N 0 0 435.546 2.653 50 0 IFAARN COc1ccc(CCNC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCC3)cc1OC ZINC000169765505 569096779 /nfs/dbraw/zinc/09/67/79/569096779.db2.gz LVWXTVNDQJREFB-UHFFFAOYSA-N 0 0 435.524 2.964 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000036390556 569096846 /nfs/dbraw/zinc/09/68/46/569096846.db2.gz ZTXQMUAETZXQRX-DNVCBOLYSA-N 0 0 430.526 2.709 50 0 IFAARN COC(=O)CNC(=O)c1cccn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)c1=O ZINC000065062708 569097336 /nfs/dbraw/zinc/09/73/36/569097336.db2.gz DLIVGBKNGRSHNW-UHFFFAOYSA-N 0 0 439.855 2.646 50 0 IFAARN CC(=O)N1CCC(c2nc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)no2)CC1 ZINC000169769262 569098049 /nfs/dbraw/zinc/09/80/49/569098049.db2.gz SDUGQKHNWRNDMA-QGZVFWFLSA-N 0 0 428.880 2.979 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)Nc3nncs3)n2C[C@H]2CCCO2)cc1 ZINC000036393082 569098469 /nfs/dbraw/zinc/09/84/69/569098469.db2.gz GXNJTUOHQUYGOM-CQSZACIVSA-N 0 0 432.531 2.715 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1c2ccccc2C[C@@H]1C ZINC000036395448 569098692 /nfs/dbraw/zinc/09/86/92/569098692.db2.gz CPQOUQXNDVHRHR-SSOJOUAXSA-N 0 0 443.551 2.940 50 0 IFAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCOCC3)no2)cc1 ZINC000065076070 569099201 /nfs/dbraw/zinc/09/92/01/569099201.db2.gz UADQJUQPMBMVFH-UHFFFAOYSA-N 0 0 448.483 2.796 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000065075598 569099660 /nfs/dbraw/zinc/09/96/60/569099660.db2.gz JUPLUYFBXDACHA-UHFFFAOYSA-N 0 0 438.488 2.506 50 0 IFAARN COc1cccc(CNC(=O)NCCn2nnc3cc(C(=O)NC4CCCC4)ccc32)c1 ZINC000065075719 569099735 /nfs/dbraw/zinc/09/97/35/569099735.db2.gz UIPMRNQGMYTECC-UHFFFAOYSA-N 0 0 436.516 2.612 50 0 IFAARN O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCC(c2noc(-c3ccccc3)n2)CC1 ZINC000065076702 569099827 /nfs/dbraw/zinc/09/98/27/569099827.db2.gz MVGYQKATKXJXSI-UHFFFAOYSA-N 0 0 444.488 2.560 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)NCc2ccc(Cl)cc2)n1 ZINC000065076676 569099842 /nfs/dbraw/zinc/09/98/42/569099842.db2.gz UIGZWTSHYUPCTM-OAHLLOKOSA-N 0 0 436.899 2.805 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)cc1 ZINC000065076570 569099854 /nfs/dbraw/zinc/09/98/54/569099854.db2.gz JNFHPLDHATWNMT-OAHLLOKOSA-N 0 0 430.464 2.676 50 0 IFAARN C[C@@H]1CSc2ccc(S(=O)(=O)CCC(=O)NCCc3ccccc3)cc2NC1=O ZINC000065078282 569100510 /nfs/dbraw/zinc/10/05/10/569100510.db2.gz FAWQLRSFMCGPRR-OAHLLOKOSA-N 0 0 432.567 2.890 50 0 IFAARN O=C(CN1c2ccc(S(=O)(=O)N3CCCC3)cc2CCCC1=O)Nc1cccc(F)c1 ZINC000065078496 569100672 /nfs/dbraw/zinc/10/06/72/569100672.db2.gz LCOOWEOEHKCGQM-UHFFFAOYSA-N 0 0 445.516 2.918 50 0 IFAARN O=C(NCCCN1CCOCC1)c1ncoc1-c1ccccc1C(=O)N1CCCCCC1 ZINC000065080428 569101337 /nfs/dbraw/zinc/10/13/37/569101337.db2.gz PPACVFDGLXPBQE-UHFFFAOYSA-N 0 0 440.544 2.810 50 0 IFAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)CCc4ccccc4OC)ccn3n2)c1 ZINC000169777075 569102275 /nfs/dbraw/zinc/10/22/75/569102275.db2.gz SACRNFVFYOCGNY-UHFFFAOYSA-N 0 0 446.507 2.929 50 0 IFAARN COc1cc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccc(C)cc3)NC2=O)cc(OC)c1 ZINC000169780816 569103109 /nfs/dbraw/zinc/10/31/09/569103109.db2.gz RJEUBHBBPCEAKF-OAQYLSRUSA-N 0 0 437.452 2.528 50 0 IFAARN Cn1c2ccc(S(=O)(=O)N3CCC(CC(=O)NC4CCCCCC4)CC3)cc2oc1=O ZINC000065085737 569103208 /nfs/dbraw/zinc/10/32/08/569103208.db2.gz FLCUUFBUPFZGSW-UHFFFAOYSA-N 0 0 449.573 2.761 50 0 IFAARN CCc1nc(N2CCCC2=O)sc1C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000065086320 569103292 /nfs/dbraw/zinc/10/32/92/569103292.db2.gz KHCWEYYJZHCHQU-UHFFFAOYSA-N 0 0 426.542 2.997 50 0 IFAARN CCCn1c2ccc(S(=O)(=O)N3CCC(CC(=O)NC4CCCC4)CC3)cc2oc1=O ZINC000065086190 569103323 /nfs/dbraw/zinc/10/33/23/569103323.db2.gz GWWWWIUJLNMSLD-UHFFFAOYSA-N 0 0 449.573 2.854 50 0 IFAARN CCc1ccccc1NC(=O)Cn1nc2ccc(C(=O)Nc3ccc(OC)cc3)cn2c1=O ZINC000065100129 569104977 /nfs/dbraw/zinc/10/49/77/569104977.db2.gz QAICZRMZPMORAZ-UHFFFAOYSA-N 0 0 445.479 2.958 50 0 IFAARN CCNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O ZINC000065101447 569105386 /nfs/dbraw/zinc/10/53/86/569105386.db2.gz NEUSVLQEQBXPAY-UHFFFAOYSA-N 0 0 430.867 2.896 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)c(C)c1 ZINC000065100197 569105484 /nfs/dbraw/zinc/10/54/84/569105484.db2.gz OATWVOJOJPEZHY-UHFFFAOYSA-N 0 0 429.480 2.682 50 0 IFAARN Cc1ccc(F)cc1NC(=O)Cn1nc2ccc(C(=O)NCc3ccccc3)cn2c1=O ZINC000065100239 569105497 /nfs/dbraw/zinc/10/54/97/569105497.db2.gz XJIVRYNEVSLVTH-UHFFFAOYSA-N 0 0 433.443 2.512 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)Nc4cc(C)ccc4C)c(=O)n3c2)cc1 ZINC000065100385 569105619 /nfs/dbraw/zinc/10/56/19/569105619.db2.gz DJIQHMLBFWRDBB-UHFFFAOYSA-N 0 0 443.507 2.990 50 0 IFAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NCC(C)C)c2=O)cc1 ZINC000065101685 569105940 /nfs/dbraw/zinc/10/59/40/569105940.db2.gz XQYDYCYXQYXGMK-UHFFFAOYSA-N 0 0 448.523 2.943 50 0 IFAARN COc1ccc(NS(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)cc1OC ZINC000065115081 569106532 /nfs/dbraw/zinc/10/65/32/569106532.db2.gz RHKVPQQJDPUQIM-UHFFFAOYSA-N 0 0 431.470 2.882 50 0 IFAARN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)cc1 ZINC000065115203 569106803 /nfs/dbraw/zinc/10/68/03/569106803.db2.gz VXFQXVHSPZDRCZ-UHFFFAOYSA-N 0 0 428.470 2.823 50 0 IFAARN CCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc21 ZINC000169793920 569108325 /nfs/dbraw/zinc/10/83/25/569108325.db2.gz NFKQZKUXNZWHKY-SFHVURJKSA-N 0 0 442.585 2.986 50 0 IFAARN CCn1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccc4c(c3)OCO4)c2c1=O ZINC000065113379 569108448 /nfs/dbraw/zinc/10/84/48/569108448.db2.gz MIXNJRXBVWHTHU-UHFFFAOYSA-N 0 0 430.464 2.930 50 0 IFAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)cc1 ZINC000169795988 569108691 /nfs/dbraw/zinc/10/86/91/569108691.db2.gz RZSDSFCQTZYJJJ-QAPCUYQASA-N 0 0 443.525 2.815 50 0 IFAARN COc1cccc(-n2ccc(=O)c(-c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)n2)c1 ZINC000065129561 569108798 /nfs/dbraw/zinc/10/87/98/569108798.db2.gz ZEWIEHHRJOICKG-UHFFFAOYSA-N 0 0 436.424 2.984 50 0 IFAARN COCCNC(=O)C1CCN(c2ncccc2-c2nc(-c3cccc(F)c3)no2)CC1 ZINC000065131088 569109275 /nfs/dbraw/zinc/10/92/75/569109275.db2.gz XYHQAVXTLFKAOC-UHFFFAOYSA-N 0 0 425.464 2.917 50 0 IFAARN COc1cccc(NC(=O)CSc2ccc(N3CCC[C@@H](C(=O)NC4CC4)C3)nn2)c1 ZINC000065131471 569109382 /nfs/dbraw/zinc/10/93/82/569109382.db2.gz JPMVAUGXDRWADZ-OAHLLOKOSA-N 0 0 441.557 2.711 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1)Nc1ccc(F)cc1F ZINC000065131627 569109569 /nfs/dbraw/zinc/10/95/69/569109569.db2.gz IRPIUTUNXZOGFV-ZDUSSCGKSA-N 0 0 447.511 2.981 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)nn1)Nc1ccc(F)cc1 ZINC000065131556 569109613 /nfs/dbraw/zinc/10/96/13/569109613.db2.gz WPBWRSJNZPSCIF-CQSZACIVSA-N 0 0 429.521 2.842 50 0 IFAARN COc1cc(NC(=O)Cn2nc(N3CCSCC3)c3ccccc3c2=O)cc(OC)c1 ZINC000065134337 569110145 /nfs/dbraw/zinc/11/01/45/569110145.db2.gz ADGWJYUVTQXPRO-UHFFFAOYSA-N 0 0 440.525 2.606 50 0 IFAARN O=C(Cn1nc(N2CCOCC2)c2ccccc2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000065134303 569110173 /nfs/dbraw/zinc/11/01/73/569110173.db2.gz HCUACEUWZNZHLB-UHFFFAOYSA-N 0 0 432.402 2.891 50 0 IFAARN CCN1CCN(S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccc(C)cc4)nn3)c2C)CC1 ZINC000065138139 569110542 /nfs/dbraw/zinc/11/05/42/569110542.db2.gz QVFHHSGBZDZOQX-UHFFFAOYSA-N 0 0 440.573 2.581 50 0 IFAARN CC(C)N(C(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CCCCC1 ZINC000036447635 569110806 /nfs/dbraw/zinc/11/08/06/569110806.db2.gz HGANDQYDNCNQPG-UHFFFAOYSA-N 0 0 425.570 2.702 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C ZINC000036447625 569110883 /nfs/dbraw/zinc/11/08/83/569110883.db2.gz KHQPMOQDPWVPCA-UHFFFAOYSA-N 0 0 427.570 2.737 50 0 IFAARN COc1ccccc1NC(=O)Cn1c(=O)cccc1C(=O)NCc1cc(F)cc(F)c1 ZINC000065150137 569110951 /nfs/dbraw/zinc/11/09/51/569110951.db2.gz SSOHCVSGIXHQOR-UHFFFAOYSA-N 0 0 427.407 2.704 50 0 IFAARN Cc1ccc(CNC(=O)Cn2c(=O)cccc2C(=O)NCc2cc(F)cc(F)c2)cc1 ZINC000065150138 569110959 /nfs/dbraw/zinc/11/09/59/569110959.db2.gz YIXGXVARTJXTCY-UHFFFAOYSA-N 0 0 425.435 2.681 50 0 IFAARN O=C(Cn1nc2c(Oc3ccccc3Cl)nccn2c1=O)Nc1ccc2c(c1)OCO2 ZINC000065150865 569111578 /nfs/dbraw/zinc/11/15/78/569111578.db2.gz SFKUKOBJKVSPOA-UHFFFAOYSA-N 0 0 439.815 2.704 50 0 IFAARN O=C(Cn1nc2c(Oc3cccc(Cl)c3)nccn2c1=O)NCc1ccc(F)cc1 ZINC000065150899 569111623 /nfs/dbraw/zinc/11/16/23/569111623.db2.gz RDPDOEFUEGWOLB-UHFFFAOYSA-N 0 0 427.823 2.792 50 0 IFAARN COc1cccc(NC(=O)Cn2nc3c(Sc4cccc(F)c4)nccn3c2=O)c1 ZINC000065151051 569111646 /nfs/dbraw/zinc/11/16/46/569111646.db2.gz QGNMBSXTOWDRLO-UHFFFAOYSA-N 0 0 425.445 2.829 50 0 IFAARN CCOC(=O)C1CCN(c2ncc(C(=O)NCc3ccc(F)c(Cl)c3)c(N)n2)CC1 ZINC000065154713 569112353 /nfs/dbraw/zinc/11/23/53/569112353.db2.gz MCJWMRDOKXRULV-UHFFFAOYSA-N 0 0 435.887 2.561 50 0 IFAARN Cn1cc(CCN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c2cccnc21 ZINC000065164762 569112758 /nfs/dbraw/zinc/11/27/58/569112758.db2.gz JUKSLYXWDNMATR-UHFFFAOYSA-N 0 0 436.940 2.915 50 0 IFAARN CCc1nc2c(-c3ccncc3)nsc2c(=O)n1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000065171077 569112829 /nfs/dbraw/zinc/11/28/29/569112829.db2.gz DPWRMWFWHIKWGS-UHFFFAOYSA-N 0 0 449.492 2.887 50 0 IFAARN Cc1cccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)c1 ZINC000065183389 569113808 /nfs/dbraw/zinc/11/38/08/569113808.db2.gz IRZHTVLYGVVFGK-UHFFFAOYSA-N 0 0 433.917 2.615 50 0 IFAARN Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1)N=C(C(=O)N1CCOCC1)S2(=O)=O ZINC000065183371 569113856 /nfs/dbraw/zinc/11/38/56/569113856.db2.gz TZCNERDJIJUCEI-UHFFFAOYSA-N 0 0 433.917 2.615 50 0 IFAARN CCc1nn2c(nc(C)c2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)s1 ZINC000065183793 569113946 /nfs/dbraw/zinc/11/39/46/569113946.db2.gz DDQFEIYLAUUJBA-UHFFFAOYSA-N 0 0 425.967 2.826 50 0 IFAARN CC(C)Cn1c(=O)c2nscc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O ZINC000065184943 569114202 /nfs/dbraw/zinc/11/42/02/569114202.db2.gz XLCSVPITMDDHIQ-UHFFFAOYSA-N 0 0 426.420 2.933 50 0 IFAARN Cc1nnc2c(S(=O)(=O)N(CC(=O)OC(C)(C)C)c3cc(F)cc(F)c3)cccn12 ZINC000065185312 569114235 /nfs/dbraw/zinc/11/42/35/569114235.db2.gz JJZVJAJGNHOXIP-UHFFFAOYSA-N 0 0 438.456 2.853 50 0 IFAARN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)o1 ZINC000065194100 569114674 /nfs/dbraw/zinc/11/46/74/569114674.db2.gz XRBPNQFIKLQOBZ-UHFFFAOYSA-N 0 0 433.509 2.650 50 0 IFAARN COc1cccc(N2CCN(C(=O)c3nn(-c4ccc(C)cc4)c(OC)cc3=O)CC2)c1 ZINC000065198282 569114990 /nfs/dbraw/zinc/11/49/90/569114990.db2.gz BIVFVPXDVNXKMJ-UHFFFAOYSA-N 0 0 434.496 2.521 50 0 IFAARN COC(=O)c1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)o1 ZINC000065199187 569115043 /nfs/dbraw/zinc/11/50/43/569115043.db2.gz JKDPSQDVMAAPAK-UHFFFAOYSA-N 0 0 444.444 2.952 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)cc1 ZINC000065195527 569115410 /nfs/dbraw/zinc/11/54/10/569115410.db2.gz OBLKTEHQRNILDO-SFHVURJKSA-N 0 0 446.507 2.936 50 0 IFAARN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)NCc4ccc(F)cc4F)CC3=O)ccc21 ZINC000065195421 569115428 /nfs/dbraw/zinc/11/54/28/569115428.db2.gz VXORCGKWMDWWQS-INIZCTEOSA-N 0 0 427.451 2.933 50 0 IFAARN CCC(=O)N1CCc2cc(N3C[C@H](C(=O)NCc4cc(F)cc(F)c4)CC3=O)ccc21 ZINC000065195422 569115469 /nfs/dbraw/zinc/11/54/69/569115469.db2.gz YWMLGFWBMWZKBJ-MRXNPFEDSA-N 0 0 427.451 2.933 50 0 IFAARN O=C(C1CCC1)N1CCc2sc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc2C1 ZINC000065196274 569115714 /nfs/dbraw/zinc/11/57/14/569115714.db2.gz OGZHIOQOVBRKLV-UHFFFAOYSA-N 0 0 434.539 2.640 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1nc2cc(-c3ccccc3)nc(C)n2c1=O ZINC000065196619 569115793 /nfs/dbraw/zinc/11/57/93/569115793.db2.gz UDSKHTDLUAOUBH-UHFFFAOYSA-N 0 0 431.452 2.682 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)Nc4ccc(F)c(F)c4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197115 569115930 /nfs/dbraw/zinc/11/59/30/569115930.db2.gz HRCKYJKZBXRSCG-UHFFFAOYSA-N 0 0 438.390 2.624 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccccc3F)c2=O)cc1 ZINC000065212551 569116732 /nfs/dbraw/zinc/11/67/32/569116732.db2.gz KRKDTRORDBJCQO-UHFFFAOYSA-N 0 0 443.500 2.721 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000065212496 569116752 /nfs/dbraw/zinc/11/67/52/569116752.db2.gz TUAFBBTVRPYNIB-MRXNPFEDSA-N 0 0 443.500 2.974 50 0 IFAARN COc1ccccc1NC(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O ZINC000065212524 569116766 /nfs/dbraw/zinc/11/67/66/569116766.db2.gz TVPSMNAAPDKPGA-UHFFFAOYSA-N 0 0 441.509 2.913 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccccc2)c1=O ZINC000065212437 569116782 /nfs/dbraw/zinc/11/67/82/569116782.db2.gz YJUOXGYRYPWUDE-UHFFFAOYSA-N 0 0 441.509 2.913 50 0 IFAARN Cc1c(Cl)cccc1NC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O ZINC000065213858 569116837 /nfs/dbraw/zinc/11/68/37/569116837.db2.gz HWQYLSRDJMLQEW-UHFFFAOYSA-N 0 0 437.949 2.869 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O ZINC000065213834 569116947 /nfs/dbraw/zinc/11/69/47/569116947.db2.gz YWFJKTDFWDPGCO-UHFFFAOYSA-N 0 0 431.558 2.778 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3cnc4nc(C)c(C)nc4c3)C2)CC1 ZINC000065227236 569117962 /nfs/dbraw/zinc/11/79/62/569117962.db2.gz CCRLIGSKJGZAPT-SFHVURJKSA-N 0 0 425.533 2.660 50 0 IFAARN Cc1nc2cc(N3CCC[C@H](C(=O)N4CCN(c5ccccn5)CC4)C3)cnc2nc1C ZINC000065227251 569118173 /nfs/dbraw/zinc/11/81/73/569118173.db2.gz VFUJFASUOVNJMA-IBGZPJMESA-N 0 0 431.544 2.602 50 0 IFAARN COc1ccc(C(=O)Nc2nccnc2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000065228637 569118313 /nfs/dbraw/zinc/11/83/13/569118313.db2.gz FNVFKZYNHRPISX-UHFFFAOYSA-N 0 0 435.459 2.839 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1F ZINC000036569685 569118355 /nfs/dbraw/zinc/11/83/55/569118355.db2.gz ALCVYUZHQVXZOY-AEFFLSMTSA-N 0 0 436.509 2.509 50 0 IFAARN CN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)Nc1ccc3c(c1)OCCO3)CC2 ZINC000065235421 569119220 /nfs/dbraw/zinc/11/92/20/569119220.db2.gz UQQJXNOFFYRGFJ-UHFFFAOYSA-N 0 0 426.448 2.801 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCC[C@@H](C)C5)n4)ccn3n2)cc1 ZINC000065235973 569119296 /nfs/dbraw/zinc/11/92/96/569119296.db2.gz PGMOITFDMHQBCX-MRXNPFEDSA-N 0 0 434.500 2.835 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCC[C@@H]5C)n4)ccn3n2)cc1 ZINC000065235972 569119424 /nfs/dbraw/zinc/11/94/24/569119424.db2.gz PTYGDBCJIGHVMJ-INIZCTEOSA-N 0 0 434.500 2.977 50 0 IFAARN C=C1C(N2CCC(NC(=O)c3ccn(CC)n3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239204 569120028 /nfs/dbraw/zinc/12/00/28/569120028.db2.gz TWQOCJMPCAXKLR-UHFFFAOYSA-N 0 0 441.557 2.579 50 0 IFAARN C=C1C(N2CCCN(C(=O)CCOC)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000065239509 569120644 /nfs/dbraw/zinc/12/06/44/569120644.db2.gz WBOCEVQYHHQUQF-UHFFFAOYSA-N 0 0 433.574 2.854 50 0 IFAARN CCCN1c2ccc(C(=O)NCCN3CCOCC3)cc2Sc2ncccc2C1=O ZINC000065241385 569120978 /nfs/dbraw/zinc/12/09/78/569120978.db2.gz OMQCXXJJUYHNPI-UHFFFAOYSA-N 0 0 426.542 2.665 50 0 IFAARN CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCCc2c[nH]c3ccccc23)cc1 ZINC000036596554 569121405 /nfs/dbraw/zinc/12/14/05/569121405.db2.gz JWSAZBZGNJQFGO-FGZHOGPDSA-N 0 0 446.594 2.502 50 0 IFAARN CCNc1cc(N2CCC[C@H](CCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)ncn1 ZINC000065245006 569121649 /nfs/dbraw/zinc/12/16/49/569121649.db2.gz MROWZBZKVIBWFA-GOSISDBHSA-N 0 0 446.596 2.984 50 0 IFAARN Cc1nn(C(F)F)cc1S(=O)(=O)N1CCN(Cc2cccc(Br)c2)CC1 ZINC000036615088 569122417 /nfs/dbraw/zinc/12/24/17/569122417.db2.gz PTJMGATXTCSZOM-UHFFFAOYSA-N 0 0 449.321 2.856 50 0 IFAARN Cn1ncc2c1nc(C(=O)N1CCN(c3cccc(Cl)c3)CC1)nc2N1CCCCC1 ZINC000065257150 569123342 /nfs/dbraw/zinc/12/33/42/569123342.db2.gz BKAGNRWBCJQPQD-UHFFFAOYSA-N 0 0 439.951 2.969 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3scnc3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000036612243 569123590 /nfs/dbraw/zinc/12/35/90/569123590.db2.gz DBGOFKQCEOGWRU-QJKHOBJASA-N 0 0 443.525 2.702 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(OCC(C)C)c(OC)c1 ZINC000013156013 569125810 /nfs/dbraw/zinc/12/58/10/569125810.db2.gz RJTHMSRUTVOLDT-LJQANCHMSA-N 0 0 443.496 2.787 50 0 IFAARN COc1cc2c(cc1OC)[C@H](NC(=O)CC[C@@H]1NC(=O)N(Cc3ccccc3)C1=O)CC2 ZINC000524730894 569126160 /nfs/dbraw/zinc/12/61/60/569126160.db2.gz BFGXXNHYDGQUSX-MOPGFXCFSA-N 0 0 437.496 2.708 50 0 IFAARN CSCC[C@@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524733162 569127052 /nfs/dbraw/zinc/12/70/52/569127052.db2.gz AGHSABVYKYKRHD-VQTJNVASSA-N 0 0 439.537 2.996 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1ccccn1 ZINC000524734551 569127727 /nfs/dbraw/zinc/12/77/27/569127727.db2.gz PYYPNJNSSBMESB-QHCPKHFHSA-N 0 0 426.476 2.945 50 0 IFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCCCc1nnc2ccccn21 ZINC000524733969 569128054 /nfs/dbraw/zinc/12/80/54/569128054.db2.gz JOKQDAOFKWKLEE-JBUDQFAYSA-N 0 0 433.512 2.668 50 0 IFAARN C=C1C(N2CCCN(C(=O)NCCCOC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065271909 569128753 /nfs/dbraw/zinc/12/87/53/569128753.db2.gz HXRZKRPSQJEGTC-UHFFFAOYSA-N 0 0 448.589 2.530 50 0 IFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272736 569129115 /nfs/dbraw/zinc/12/91/15/569129115.db2.gz POOYVKANDNWGFT-CQSZACIVSA-N 0 0 428.510 2.735 50 0 IFAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c1 ZINC000065272801 569129181 /nfs/dbraw/zinc/12/91/81/569129181.db2.gz UFYJVNQMHFMPAL-HNNXBMFYSA-N 0 0 444.553 2.659 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccccc2OC)CC3)CC1 ZINC000065273455 569129617 /nfs/dbraw/zinc/12/96/17/569129617.db2.gz ZSEQGFCXKRNFJF-INIZCTEOSA-N 0 0 442.585 2.632 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2cccc(F)c2)CC3)CC1 ZINC000065273536 569129726 /nfs/dbraw/zinc/12/97/26/569129726.db2.gz XTFCXUGWBFDZGU-MRXNPFEDSA-N 0 0 430.549 2.762 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2ccccc2C)CC3)CC1 ZINC000065273540 569129733 /nfs/dbraw/zinc/12/97/33/569129733.db2.gz MXHYMPYUDJHWRX-QGZVFWFLSA-N 0 0 426.586 2.931 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccc(F)cc2F)CC3)CC1 ZINC000065273539 569129802 /nfs/dbraw/zinc/12/98/02/569129802.db2.gz DWCJMNOQRSLSMH-AWEZNQCLSA-N 0 0 448.539 2.901 50 0 IFAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCCc2cccs2)CC3)CC1 ZINC000065273673 569129982 /nfs/dbraw/zinc/12/99/82/569129982.db2.gz LODQSIBKOHVFEE-INIZCTEOSA-N 0 0 446.642 2.973 50 0 IFAARN O=C(NCc1ccco1)[C@@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065273722 569130021 /nfs/dbraw/zinc/13/00/21/569130021.db2.gz DCVYHJWLDQNHGB-MRXNPFEDSA-N 0 0 428.558 2.606 50 0 IFAARN Cn1cc2c(n1)nc(C(=O)NCc1cccc(C(F)(F)F)c1)nc2N1CCSCC1 ZINC000065284411 569130077 /nfs/dbraw/zinc/13/00/77/569130077.db2.gz VZDUVXGMJLZIOI-UHFFFAOYSA-N 0 0 436.463 2.865 50 0 IFAARN COc1ccc([C@H]2CCCN2C(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000036656095 569130197 /nfs/dbraw/zinc/13/01/97/569130197.db2.gz QAMHBISDJNNOCY-OAQYLSRUSA-N 0 0 430.526 2.930 50 0 IFAARN COc1ccccc1OCC(=O)Nc1nnc(Cc2ccc(S(=O)(=O)C(C)C)cc2)o1 ZINC000036659106 569130203 /nfs/dbraw/zinc/13/02/03/569130203.db2.gz QFQVYJNIDVCBPP-UHFFFAOYSA-N 0 0 445.497 2.869 50 0 IFAARN O=C(CCn1cnc2ccccc2c1=O)NCc1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000036662287 569130358 /nfs/dbraw/zinc/13/03/58/569130358.db2.gz DONGAHZWDPTEHX-UHFFFAOYSA-N 0 0 432.436 2.529 50 0 IFAARN O=C(NCCn1ncc2c1ncn(Cc1ccccc1F)c2=O)c1nc2ccccc2s1 ZINC000036660479 569130371 /nfs/dbraw/zinc/13/03/71/569130371.db2.gz AMDGMPDMNUXIOD-UHFFFAOYSA-N 0 0 448.483 2.820 50 0 IFAARN COCCn1c2ccccc2n2nc(C(=O)N3CCN(c4ccc(C)cc4)CC3)cc2c1=O ZINC000065292472 569130701 /nfs/dbraw/zinc/13/07/01/569130701.db2.gz NEENKASVURUWFX-UHFFFAOYSA-N 0 0 445.523 2.566 50 0 IFAARN CCc1cccc(NC(=O)Cn2ncc3c2ncnc3N2CCN(c3ccccn3)CC2)c1 ZINC000065295764 569131519 /nfs/dbraw/zinc/13/15/19/569131519.db2.gz NEGQLIYTERZMFU-UHFFFAOYSA-N 0 0 442.527 2.749 50 0 IFAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3CCOCC3)c2)cc1 ZINC000036673962 569132282 /nfs/dbraw/zinc/13/22/82/569132282.db2.gz ITWHOOJXIPZJHQ-UHFFFAOYSA-N 0 0 445.585 2.661 50 0 IFAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O ZINC000036676928 569132403 /nfs/dbraw/zinc/13/24/03/569132403.db2.gz VFIZVVKLMJYHSO-SANMLTNESA-N 0 0 442.519 2.956 50 0 IFAARN Cc1cc2nn(CC(=O)Nc3cc(F)ccc3F)c(=O)n2c(Nc2ccc(F)cc2)n1 ZINC000065307829 569132563 /nfs/dbraw/zinc/13/25/63/569132563.db2.gz JQQRFGVXXPSIGR-UHFFFAOYSA-N 0 0 428.374 2.999 50 0 IFAARN CCOc1ccc(OCC(=O)Nc2cc(C(=O)N3CCCCCC3)cn(C)c2=O)cc1 ZINC000036685902 569132800 /nfs/dbraw/zinc/13/28/00/569132800.db2.gz GMYSPWSXFOJAFJ-UHFFFAOYSA-N 0 0 427.501 2.818 50 0 IFAARN Cc1cccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3Cc3ccco3)c2=O)c1C ZINC000065305550 569133332 /nfs/dbraw/zinc/13/33/32/569133332.db2.gz SIYINIYSQQRZOG-UHFFFAOYSA-N 0 0 449.492 2.769 50 0 IFAARN Cc1ccc(-c2noc(C(=O)Nc3ccccn3)n2)cc1S(=O)(=O)N1CCCCC1 ZINC000065318793 569134377 /nfs/dbraw/zinc/13/43/77/569134377.db2.gz IBHDXWRJIUEPKC-UHFFFAOYSA-N 0 0 427.486 2.867 50 0 IFAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)o1 ZINC000065318873 569134483 /nfs/dbraw/zinc/13/44/83/569134483.db2.gz ZOHZIPBTMKQNOP-UHFFFAOYSA-N 0 0 430.486 2.661 50 0 IFAARN O=C(NCCc1ccccc1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000065319156 569134656 /nfs/dbraw/zinc/13/46/56/569134656.db2.gz RNXUEJDLZQSRGC-UHFFFAOYSA-N 0 0 440.525 2.884 50 0 IFAARN O=C(c1ccc[nH]c1=O)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000036707984 569134826 /nfs/dbraw/zinc/13/48/26/569134826.db2.gz RWBAWKDQJWMVJD-UHFFFAOYSA-N 0 0 427.508 2.731 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc4c(Cl)cccn43)C2)cc1OC ZINC000065312722 569135048 /nfs/dbraw/zinc/13/50/48/569135048.db2.gz JIRPPMTVLGWAMY-OAHLLOKOSA-N 0 0 429.908 2.933 50 0 IFAARN O=C(NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1)c1ccc2nsnc2c1 ZINC000036700486 569135363 /nfs/dbraw/zinc/13/53/63/569135363.db2.gz ABOKKFCFIYBPTB-UHFFFAOYSA-N 0 0 435.444 2.744 50 0 IFAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)NCc1ccccc1 ZINC000065319906 569136042 /nfs/dbraw/zinc/13/60/42/569136042.db2.gz YEPQRBZDAZTEKW-UHFFFAOYSA-N 0 0 429.571 2.882 50 0 IFAARN O=C(c1cc(F)ccc1Br)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000036748104 569137509 /nfs/dbraw/zinc/13/75/09/569137509.db2.gz CQBKWOZZVLQMCF-UHFFFAOYSA-N 0 0 431.269 2.526 50 0 IFAARN CCCCn1c2ncn(CCC(C)C)c2c(=O)n(CC(=O)N[C@@H]2CCCC[C@H]2C)c1=O ZINC000007212889 569138182 /nfs/dbraw/zinc/13/81/82/569138182.db2.gz OIBCSXZHPQHEKO-QZTJIDSGSA-N 0 0 431.581 2.901 50 0 IFAARN CS(=O)(=O)c1cccc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000065497222 569138838 /nfs/dbraw/zinc/13/88/38/569138838.db2.gz ACYHDGXNPOFOTN-LJQANCHMSA-N 0 0 431.510 2.994 50 0 IFAARN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000065578530 569139802 /nfs/dbraw/zinc/13/98/02/569139802.db2.gz VIUPDTAMCAJPCK-ZDUSSCGKSA-N 0 0 438.600 2.673 50 0 IFAARN COC(=O)c1sccc1S(=O)(=O)NC[C@@](O)(c1ccsc1)c1cccs1 ZINC000240122520 569140725 /nfs/dbraw/zinc/14/07/25/569140725.db2.gz WBGJNMCKNHGROJ-MRXNPFEDSA-N 0 0 429.566 2.872 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)CN(C)CC(=O)Nc1cccc(C)c1C)CC2 ZINC000007455266 569140544 /nfs/dbraw/zinc/14/05/44/569140544.db2.gz VFNVKLFDTCJARW-UHFFFAOYSA-N 0 0 425.529 2.776 50 0 IFAARN Cc1sc2nc(CS[C@H](C)C(=O)NCc3nnc(C4CCC4)n3C)[nH]c(=O)c2c1C ZINC000170594429 569141409 /nfs/dbraw/zinc/14/14/09/569141409.db2.gz WIPBUFZTJRUZMD-GFCCVEGCSA-N 0 0 446.602 2.936 50 0 IFAARN CC[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000170595564 569141596 /nfs/dbraw/zinc/14/15/96/569141596.db2.gz BSWDYLNYWCIHLZ-UZUQRXQVSA-N 0 0 427.501 2.622 50 0 IFAARN COc1cccc(NC(=O)CN(C(C)=O)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000170597158 569142112 /nfs/dbraw/zinc/14/21/12/569142112.db2.gz ZQBMXZJGPOMASA-UHFFFAOYSA-N 0 0 441.303 2.634 50 0 IFAARN COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000170597358 569142148 /nfs/dbraw/zinc/14/21/48/569142148.db2.gz YCJCADYRKJCOOY-ZBFHGGJFSA-N 0 0 429.439 2.693 50 0 IFAARN CCOCN(C(=O)CN1CCN(c2nccc(OCC)n2)CC1)c1c(C)cccc1CC ZINC000170598212 569142299 /nfs/dbraw/zinc/14/22/99/569142299.db2.gz ZPJZIGGNPVNMGH-UHFFFAOYSA-N 0 0 441.576 2.895 50 0 IFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H](OCc2csc(C)n2)C1 ZINC000170599085 569142499 /nfs/dbraw/zinc/14/24/99/569142499.db2.gz ZOACDGPORQIKFI-WIYYLYMNSA-N 0 0 426.542 2.798 50 0 IFAARN CN(C)C(=O)c1cccc(S(=O)(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1 ZINC000170603621 569143612 /nfs/dbraw/zinc/14/36/12/569143612.db2.gz PSAZOZRTSUWDFN-ROUUACIJSA-N 0 0 443.352 2.974 50 0 IFAARN COC(=O)c1cccc(OC)c1N(C)C(=O)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000170603864 569143690 /nfs/dbraw/zinc/14/36/90/569143690.db2.gz WFWVLMRIACRKHW-UHFFFAOYSA-N 0 0 428.466 2.954 50 0 IFAARN Cc1cc(S(N)(=O)=O)cc(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)c1C ZINC000170606757 569144543 /nfs/dbraw/zinc/14/45/43/569144543.db2.gz HVIRGCFPZRBFEB-UHFFFAOYSA-N 0 0 428.514 2.500 50 0 IFAARN COCCS(=O)(=O)N(Cc1ccccn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000170611312 569145108 /nfs/dbraw/zinc/14/51/08/569145108.db2.gz IJQFAQYMZPFLDU-GOSISDBHSA-N 0 0 427.567 2.649 50 0 IFAARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2nccc3ccncc32)ccc1Br ZINC000170614290 569146290 /nfs/dbraw/zinc/14/62/90/569146290.db2.gz GNQLITQZJYCKFW-UHFFFAOYSA-N 0 0 435.303 2.895 50 0 IFAARN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000170614598 569146335 /nfs/dbraw/zinc/14/63/35/569146335.db2.gz SVZLVFYHCGABKS-QFIPXVFZSA-N 0 0 445.535 2.759 50 0 IFAARN CN(C)c1ncnc(Cl)c1CN1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000170616821 569146737 /nfs/dbraw/zinc/14/67/37/569146737.db2.gz ABGOIXAXECLYCC-UHFFFAOYSA-N 0 0 425.867 2.755 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)C[C@@H](O)C4)CC2)cc1C ZINC000170618103 569147001 /nfs/dbraw/zinc/14/70/01/569147001.db2.gz MGMQUITYGWOQSS-NRFANRHFSA-N 0 0 428.554 2.802 50 0 IFAARN CCn1cnc2c(c1=O)CCN(CC(=O)Nc1cccc(CSc3ccccn3)c1)C2 ZINC000170619491 569147630 /nfs/dbraw/zinc/14/76/30/569147630.db2.gz DVDMASVPQZUZIV-UHFFFAOYSA-N 0 0 435.553 2.947 50 0 IFAARN COc1ccc(CCc2nnc(NC(=O)c3cn(C)c(=O)c4ccccc34)[nH]2)cc1OC ZINC000170625098 569148423 /nfs/dbraw/zinc/14/84/23/569148423.db2.gz RUDVJLOYBPCTSC-UHFFFAOYSA-N 0 0 433.468 2.711 50 0 IFAARN COc1ccc(NC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c(OC)c1 ZINC000170625648 569148455 /nfs/dbraw/zinc/14/84/55/569148455.db2.gz VKMYFIGQOHADPZ-IBGZPJMESA-N 0 0 436.468 2.677 50 0 IFAARN O=C(NCCn1c2ccccc2nc1C(F)(F)F)[C@H](Cc1ccccc1)n1cnnn1 ZINC000170625370 569148521 /nfs/dbraw/zinc/14/85/21/569148521.db2.gz FKGKOLAJXBBYRO-KRWDZBQOSA-N 0 0 429.406 2.642 50 0 IFAARN NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 ZINC000009869669 569149337 /nfs/dbraw/zinc/14/93/37/569149337.db2.gz RBSQQUWYUGNZGC-NRFANRHFSA-N 0 0 436.489 2.718 50 0 IFAARN Cc1ccc(-n2c(SCc3cc(=O)n4ccsc4n3)nnc2N2CCOCC2)cc1 ZINC000009882197 569149578 /nfs/dbraw/zinc/14/95/78/569149578.db2.gz XKRKBMRXIVMCBV-UHFFFAOYSA-N 0 0 440.554 2.774 50 0 IFAARN O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000009882293 569149713 /nfs/dbraw/zinc/14/97/13/569149713.db2.gz WQBOGYSUENTKKG-UHFFFAOYSA-N 0 0 431.297 2.844 50 0 IFAARN CCN(C(=O)c1cc(Br)c(Br)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000009882798 569149812 /nfs/dbraw/zinc/14/98/12/569149812.db2.gz ARGFMZNWWRQJDV-SSDOTTSWSA-N 0 0 431.171 2.922 50 0 IFAARN O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000009883032 569149834 /nfs/dbraw/zinc/14/98/34/569149834.db2.gz RBNQGOXKPAVFFE-UHFFFAOYSA-N 0 0 431.297 2.844 50 0 IFAARN COc1cc(C(=O)OCC(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000009884134 569150234 /nfs/dbraw/zinc/15/02/34/569150234.db2.gz QPMMXAABRIRPBS-UHFFFAOYSA-N 0 0 430.432 2.631 50 0 IFAARN Cc1ccc(-n2c(SCc3nnnn3-c3ccccc3)nnc2N2CCOCC2)cc1 ZINC000009909607 569150367 /nfs/dbraw/zinc/15/03/67/569150367.db2.gz NJIYDCCKZHOXGJ-UHFFFAOYSA-N 0 0 434.529 2.680 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000009910190 569150451 /nfs/dbraw/zinc/15/04/51/569150451.db2.gz ZFCZDKYKKDGPHC-QGZVFWFLSA-N 0 0 433.574 2.899 50 0 IFAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1=O ZINC000009954170 569151014 /nfs/dbraw/zinc/15/10/14/569151014.db2.gz PFUSUBPWJPLBFT-HUJREVKFSA-N 0 0 448.523 2.571 50 0 IFAARN COc1ccc2c(ccn2CCNC(=O)Cn2nc(-c3cccc(OC)c3)ccc2=O)c1 ZINC000071288421 569151025 /nfs/dbraw/zinc/15/10/25/569151025.db2.gz JGUYUWVSOZFUKA-UHFFFAOYSA-N 0 0 432.480 2.699 50 0 IFAARN Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1nccs1 ZINC000010060076 569152434 /nfs/dbraw/zinc/15/24/34/569152434.db2.gz AEACGSMHWILKSL-UHFFFAOYSA-N 0 0 436.950 2.628 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSCc3ccco3)CC2)cc1 ZINC000010219051 569153591 /nfs/dbraw/zinc/15/35/91/569153591.db2.gz WYSZEPFJBGFTLG-UHFFFAOYSA-N 0 0 438.571 2.739 50 0 IFAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000010219005 569153593 /nfs/dbraw/zinc/15/35/93/569153593.db2.gz BUYAQASWKDZBHW-UHFFFAOYSA-N 0 0 447.444 2.840 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnc(C)s2)cc1 ZINC000010254721 569154178 /nfs/dbraw/zinc/15/41/78/569154178.db2.gz ZTWSUDLLOCHOHO-UHFFFAOYSA-N 0 0 432.527 2.956 50 0 IFAARN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000071795564 569154311 /nfs/dbraw/zinc/15/43/11/569154311.db2.gz OGCSMXUQZVYCQB-OAQYLSRUSA-N 0 0 442.928 2.844 50 0 IFAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(N3CCCS3(=O)=O)cc1)C2=O ZINC000013296439 569154904 /nfs/dbraw/zinc/15/49/04/569154904.db2.gz LVLSLLXEIHBRLH-UHFFFAOYSA-N 0 0 441.509 2.550 50 0 IFAARN Cc1ccc(CNC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000013572137 569155768 /nfs/dbraw/zinc/15/57/68/569155768.db2.gz BCDZZOXJYHVSSS-MSOLQXFVSA-N 0 0 427.595 2.910 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 ZINC000013696184 569156549 /nfs/dbraw/zinc/15/65/49/569156549.db2.gz GZCXNVPMWNJRDS-UHFFFAOYSA-N 0 0 426.432 2.519 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1C ZINC000013950115 569157477 /nfs/dbraw/zinc/15/74/77/569157477.db2.gz CICUACBWSQVDJL-UHFFFAOYSA-N 0 0 428.601 2.677 50 0 IFAARN COc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)cc1 ZINC000014017758 569157604 /nfs/dbraw/zinc/15/76/04/569157604.db2.gz UCYVLJZDPOTBRS-MRXNPFEDSA-N 0 0 442.497 2.785 50 0 IFAARN O=C(Cn1c(=S)[nH]nc1-c1cccs1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000014170558 569157950 /nfs/dbraw/zinc/15/79/50/569157950.db2.gz UXDUVNYLMLPJKH-MRXNPFEDSA-N 0 0 447.561 2.998 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000014425243 569159075 /nfs/dbraw/zinc/15/90/75/569159075.db2.gz HDEKFOHNXXREBZ-SFHVURJKSA-N 0 0 429.542 2.703 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC000014594886 569159353 /nfs/dbraw/zinc/15/93/53/569159353.db2.gz ANYNMGYDUCWIPR-MRXNPFEDSA-N 0 0 426.469 2.786 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)cc1 ZINC000089608951 569159837 /nfs/dbraw/zinc/15/98/37/569159837.db2.gz VGYUZKATTLFJEB-UHFFFAOYSA-N 0 0 442.537 2.925 50 0 IFAARN NC(=O)[C@@H](NC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1)c1cccc(Br)c1 ZINC000089774390 569162463 /nfs/dbraw/zinc/16/24/63/569162463.db2.gz NZKDUMVMICTASF-FZMZJTMJSA-N 0 0 442.722 3.000 50 0 IFAARN NC(=O)[C@H](NC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)c1cccc(Br)c1 ZINC000089774392 569162536 /nfs/dbraw/zinc/16/25/36/569162536.db2.gz NZKDUMVMICTASF-BXUZGUMPSA-N 0 0 442.722 3.000 50 0 IFAARN CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1 ZINC000016838975 569162911 /nfs/dbraw/zinc/16/29/11/569162911.db2.gz WQFMAQSJBUWYLJ-UHFFFAOYSA-N 0 0 447.539 2.633 50 0 IFAARN COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccc5c(c4)OCO5)no3)ccn2n1 ZINC000016842013 569163324 /nfs/dbraw/zinc/16/33/24/569163324.db2.gz NNOSDGAZPNNUGO-UHFFFAOYSA-N 0 0 443.419 2.999 50 0 IFAARN CCC(CC)C(=O)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O ZINC000016850555 569164769 /nfs/dbraw/zinc/16/47/69/569164769.db2.gz NRXDPPQNVSTMFB-UHFFFAOYSA-N 0 0 429.492 2.575 50 0 IFAARN O=C(NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O)C1CCCCC1 ZINC000016850557 569164771 /nfs/dbraw/zinc/16/47/71/569164771.db2.gz IXONNRIBDDYXQV-UHFFFAOYSA-N 0 0 441.503 2.719 50 0 IFAARN O=C(COc1ccc(N2CCCC2=O)cc1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000089809633 569165114 /nfs/dbraw/zinc/16/51/14/569165114.db2.gz VHGVDCSTZAGLEX-UHFFFAOYSA-N 0 0 439.487 2.752 50 0 IFAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCc1ccc2c(c1)OCO2 ZINC000089827680 569165374 /nfs/dbraw/zinc/16/53/74/569165374.db2.gz HZGZXGHRRIHAMK-UHFFFAOYSA-N 0 0 443.459 2.527 50 0 IFAARN CC(C)Cc1nnc(NC(=O)CCC(=O)NCc2cccc(NC(=O)N(C)C)c2)s1 ZINC000089856607 569166376 /nfs/dbraw/zinc/16/63/76/569166376.db2.gz FQJWUZOCEKMRSD-UHFFFAOYSA-N 0 0 432.550 2.865 50 0 IFAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000089866501 569166377 /nfs/dbraw/zinc/16/63/77/569166377.db2.gz BJSVIKVVMIZLES-UHFFFAOYSA-N 0 0 427.464 2.634 50 0 IFAARN COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccc(F)c2)c1 ZINC000016960680 569168206 /nfs/dbraw/zinc/16/82/06/569168206.db2.gz RJXFSESNMLYCJL-UHFFFAOYSA-N 0 0 439.472 2.675 50 0 IFAARN COc1ccc([C@@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1 ZINC000089954544 569168829 /nfs/dbraw/zinc/16/88/29/569168829.db2.gz SILDRNKRNVYBDM-XZOQPEGZSA-N 0 0 444.553 2.665 50 0 IFAARN CCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)C(c1ccccc1)c1ccccc1)CC2 ZINC000016986985 569169196 /nfs/dbraw/zinc/16/91/96/569169196.db2.gz CVKKONUEPLBZNP-UHFFFAOYSA-N 0 0 445.519 2.651 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1 ZINC000089969036 569169370 /nfs/dbraw/zinc/16/93/70/569169370.db2.gz NRNXRCOMKGGRJJ-LAUBAEHRSA-N 0 0 447.601 2.641 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C)c(OC)cc3C)n2)cc1 ZINC000017010355 569170155 /nfs/dbraw/zinc/17/01/55/569170155.db2.gz IFVNNLPMQAPJFZ-UHFFFAOYSA-N 0 0 443.525 2.523 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n(-c2ccc(C)cc2C)c1=O ZINC000017015470 569170941 /nfs/dbraw/zinc/17/09/41/569170941.db2.gz OVAWTBPTWMJYQS-OAQYLSRUSA-N 0 0 432.480 2.573 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccccc2)c2ccco2)cc1 ZINC000017043240 569171342 /nfs/dbraw/zinc/17/13/42/569171342.db2.gz MQTHDXHSKKKRCU-FQEVSTJZSA-N 0 0 426.494 2.536 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2cccs2)c2ccco2)cc1 ZINC000017043346 569171519 /nfs/dbraw/zinc/17/15/19/569171519.db2.gz QKCGHAUEQCBFSA-GOSISDBHSA-N 0 0 432.523 2.597 50 0 IFAARN COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2C)cc1 ZINC000017135911 569174505 /nfs/dbraw/zinc/17/45/05/569174505.db2.gz JTUOFGFZVBAIKD-UHFFFAOYSA-N 0 0 435.509 2.844 50 0 IFAARN COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2C)c1 ZINC000017135912 569174509 /nfs/dbraw/zinc/17/45/09/569174509.db2.gz HDQAZQHMBKVXFT-UHFFFAOYSA-N 0 0 435.509 2.844 50 0 IFAARN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000017149105 569174831 /nfs/dbraw/zinc/17/48/31/569174831.db2.gz VLOXLCHNECPMSN-UHFFFAOYSA-N 0 0 445.498 2.773 50 0 IFAARN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000017149097 569174904 /nfs/dbraw/zinc/17/49/04/569174904.db2.gz TWHGQEFLPVNGPG-UHFFFAOYSA-N 0 0 445.498 2.773 50 0 IFAARN O=C1CCc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc3c2N1CCC3 ZINC000017156147 569175092 /nfs/dbraw/zinc/17/50/92/569175092.db2.gz RNLXKWNRMWSSEA-UHFFFAOYSA-N 0 0 429.517 2.562 50 0 IFAARN C[C@H]1Sc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cccnc4)CC3)cc2NC1=O ZINC000009228509 569176034 /nfs/dbraw/zinc/17/60/34/569176034.db2.gz OGTXSPDUUFSXJQ-CYBMUJFWSA-N 0 0 446.554 2.554 50 0 IFAARN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000170635444 569176408 /nfs/dbraw/zinc/17/64/08/569176408.db2.gz IPJULFGCTBZTNR-RDTXWAMCSA-N 0 0 425.872 2.537 50 0 IFAARN O=C(Nc1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001507475 569176982 /nfs/dbraw/zinc/17/69/82/569176982.db2.gz ZHFFGWRAZQQUTL-UHFFFAOYSA-N 0 0 425.304 2.722 50 0 IFAARN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1ccccn1 ZINC000006244948 569178310 /nfs/dbraw/zinc/17/83/10/569178310.db2.gz BVGNHKRFMJORGW-UHFFFAOYSA-N 0 0 437.521 2.918 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@@H]1C(=O)Nc1ccc(F)cc1F ZINC000002092039 569178973 /nfs/dbraw/zinc/17/89/73/569178973.db2.gz SUHJYAOFQCJYHR-VLIAUNLRSA-N 0 0 432.379 2.781 50 0 IFAARN C[C@@H](NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000170640644 569181479 /nfs/dbraw/zinc/18/14/79/569181479.db2.gz IKFUBWXGKKFPRJ-BMLIUANNSA-N 0 0 426.416 2.878 50 0 IFAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCO)CC(=O)N12 ZINC000002111920 569182115 /nfs/dbraw/zinc/18/21/15/569182115.db2.gz XBYFOTWCMIAKLK-GBXCKJPGSA-N 0 0 433.508 2.634 50 0 IFAARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000207999722 569183760 /nfs/dbraw/zinc/18/37/60/569183760.db2.gz BQAODTVBUJGQHU-HNAYVOBHSA-N 0 0 436.443 2.854 50 0 IFAARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000207999601 569183787 /nfs/dbraw/zinc/18/37/87/569183787.db2.gz BQAODTVBUJGQHU-BEFAXECRSA-N 0 0 436.443 2.854 50 0 IFAARN Cc1cccc(NC(=O)C2CCN(CN3C(=O)N[C@@]4(C3=O)[C@H](C)CCC[C@@H]4C)CC2)n1 ZINC000252458645 569184403 /nfs/dbraw/zinc/18/44/03/569184403.db2.gz YYGPCWIFYJFTGJ-MICWEPACSA-N 0 0 427.549 2.745 50 0 IFAARN COc1ccc(CN(CC(=O)N2c3ccccc3C[C@H]2C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000252463475 569184758 /nfs/dbraw/zinc/18/47/58/569184758.db2.gz WOHVFLKWHMIXLP-XLIONFOSSA-N 0 0 428.554 2.662 50 0 IFAARN O=c1[nH]c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000002134928 569185366 /nfs/dbraw/zinc/18/53/66/569185366.db2.gz IOMGYLGNCSOTCA-GOSISDBHSA-N 0 0 442.397 2.967 50 0 IFAARN C[C@@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000252477004 569185843 /nfs/dbraw/zinc/18/58/43/569185843.db2.gz GKVKUHAUDZPPEK-QDMKHBRRSA-N 0 0 434.480 2.742 50 0 IFAARN O=C(Cc1c(F)cccc1Cl)NCCn1cc(-c2nc(-c3cccnc3)no2)nn1 ZINC000252482166 569186367 /nfs/dbraw/zinc/18/63/67/569186367.db2.gz CZWJYQAFWUKWSW-UHFFFAOYSA-N 0 0 427.827 2.542 50 0 IFAARN CCCNC(=O)CCCC(=O)O[C@@H]1CCCC[C@H]1OC(=O)CCCC(=O)NCCC ZINC000252484495 569186374 /nfs/dbraw/zinc/18/63/74/569186374.db2.gz FXQCBKRNTGQMIR-QZTJIDSGSA-N 0 0 426.554 2.777 50 0 IFAARN COc1ccccc1CN1C(=O)N[C@H](CCC(=O)NCCn2ccc3ccccc32)C1=O ZINC000252482193 569186385 /nfs/dbraw/zinc/18/63/85/569186385.db2.gz DAHYSDHFGHGTHW-LJQANCHMSA-N 0 0 434.496 2.871 50 0 IFAARN CCOc1c(OC)cc(CN(CC(F)F)C2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000252490604 569186911 /nfs/dbraw/zinc/18/69/11/569186911.db2.gz KXRUBRFHGKDWQD-UHFFFAOYSA-N 0 0 436.521 2.594 50 0 IFAARN CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccc(F)cc1 ZINC000002146814 569186953 /nfs/dbraw/zinc/18/69/53/569186953.db2.gz JEDHHCYDRYHTMK-XFQAVAEZSA-N 0 0 426.492 2.779 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCc4c(cnc5cc(C)nn54)C3)n(C)n2)c1 ZINC000208035592 569187179 /nfs/dbraw/zinc/18/71/79/569187179.db2.gz KFKGYYPHXLOREE-UHFFFAOYSA-N 0 0 432.484 2.654 50 0 IFAARN COCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cccc3ccccc32)c(=O)n1C ZINC000010047828 569188199 /nfs/dbraw/zinc/18/81/99/569188199.db2.gz IMUXDJKJGKGRTF-MRXNPFEDSA-N 0 0 446.511 2.502 50 0 IFAARN CC(=O)Nc1ccn2ncc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000252509365 569188449 /nfs/dbraw/zinc/18/84/49/569188449.db2.gz YMEHYAQWRBUQMF-UHFFFAOYSA-N 0 0 432.406 2.669 50 0 IFAARN Cc1csc(CCNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)n1 ZINC000524733430 569188754 /nfs/dbraw/zinc/18/87/54/569188754.db2.gz RFIDEAYIVKHWSV-NRFANRHFSA-N 0 0 432.505 2.925 50 0 IFAARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3c[nH]c5ccccc35)[C@@H]4C2=O)cc1 ZINC000208190155 569189440 /nfs/dbraw/zinc/18/94/40/569189440.db2.gz GLTDUOHUWOPDNP-ZGXDEKTJSA-N 0 0 443.503 2.822 50 0 IFAARN Cc1ccc([C@H](NC(=O)CN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)c2cccs2)cc1 ZINC000252533184 569189673 /nfs/dbraw/zinc/18/96/73/569189673.db2.gz GEWAGGQZAPNZEM-IQGFKKISSA-N 0 0 442.610 2.801 50 0 IFAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3ccc4c(c3)ncn4C)C2=O)cc1 ZINC000252532876 569189739 /nfs/dbraw/zinc/18/97/39/569189739.db2.gz FJPFCIOVVRNNKT-GOSISDBHSA-N 0 0 435.484 2.668 50 0 IFAARN Cn1cnnc1[C@@H]1CCCN1c1cc(N2CCC[C@H]2c2nncn2C)nc(C(C)(C)C)n1 ZINC000252537024 569190029 /nfs/dbraw/zinc/19/00/29/569190029.db2.gz KEOPOQPUYHRADP-HOTGVXAUSA-N 0 0 436.568 2.714 50 0 IFAARN COc1ccccc1CN1C(=O)N[C@H](CCC(=O)Nc2nnc(CC(C)C)s2)C1=O ZINC000252572568 569191138 /nfs/dbraw/zinc/19/11/38/569191138.db2.gz ZKOBMODOJIGWKI-CQSZACIVSA-N 0 0 431.518 2.789 50 0 IFAARN CSCC[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)c1nc2ccccc2n1C ZINC000252572644 569191180 /nfs/dbraw/zinc/19/11/80/569191180.db2.gz ZRADKWXRKADSHY-GOSISDBHSA-N 0 0 425.558 2.619 50 0 IFAARN CC(C)(C)OC(=O)NCCNC(=O)C[C@H]1NC(=O)N(c2cccc3ccccc32)C1=O ZINC000252571976 569191202 /nfs/dbraw/zinc/19/12/02/569191202.db2.gz YQCLUSKLDCTLLI-MRXNPFEDSA-N 0 0 426.473 2.500 50 0 IFAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000002196239 569191398 /nfs/dbraw/zinc/19/13/98/569191398.db2.gz JPIWEYDYKWSXRG-WBVHZDCISA-N 0 0 430.888 2.857 50 0 IFAARN CCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)N3CCCC3)c2=O)cc1 ZINC000037399113 569194280 /nfs/dbraw/zinc/19/42/80/569194280.db2.gz CUQIQZWQDZNLIO-UHFFFAOYSA-N 0 0 427.888 2.827 50 0 IFAARN Cc1cccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)NCc3ccccn3)c2=O)c1 ZINC000037399502 569194558 /nfs/dbraw/zinc/19/45/58/569194558.db2.gz NWXGKQQXVOCLLJ-UHFFFAOYSA-N 0 0 434.883 2.826 50 0 IFAARN COC(=O)Cc1cccc(NC(=O)[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C(C)C)c1 ZINC000170668511 569194596 /nfs/dbraw/zinc/19/45/96/569194596.db2.gz NAQJBQBXZCJSIC-IBGZPJMESA-N 0 0 438.933 2.997 50 0 IFAARN CCS(=O)(=O)Oc1cc(CN(CCOC)C(=O)c2ccccc2F)ccc1OC ZINC000037400853 569195036 /nfs/dbraw/zinc/19/50/36/569195036.db2.gz WHOAAFSRQDRWKV-UHFFFAOYSA-N 0 0 425.478 2.852 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1ccccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000037525407 569198986 /nfs/dbraw/zinc/19/89/86/569198986.db2.gz NKWVESBIBXNNFA-IBGZPJMESA-N 0 0 443.569 2.543 50 0 IFAARN COC(=O)c1ccc(Cn2cnc3c2c(=O)n(C(C)C)c(=O)n3-c2ccccc2OC)cc1 ZINC000037557580 569200691 /nfs/dbraw/zinc/20/06/91/569200691.db2.gz HWVDFYYEHSNTOR-UHFFFAOYSA-N 0 0 448.479 2.773 50 0 IFAARN CC(C)C(=O)Nc1nccnc1C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000037574058 569201233 /nfs/dbraw/zinc/20/12/33/569201233.db2.gz OAAWIEMDLUYNKG-UHFFFAOYSA-N 0 0 425.489 2.602 50 0 IFAARN CC(C)CC(=O)N1CCC(NC(=O)c2nccnc2NC(=O)c2ccc(F)cc2F)CC1 ZINC000037576114 569201354 /nfs/dbraw/zinc/20/13/54/569201354.db2.gz PMNHTEVPLCKBHL-UHFFFAOYSA-N 0 0 445.470 2.774 50 0 IFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000007813546 569204481 /nfs/dbraw/zinc/20/44/81/569204481.db2.gz RYMYTVITZIESEU-IAGOWNOFSA-N 0 0 426.604 2.730 50 0 IFAARN O=C(COc1c(F)c(F)cc(F)c1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000027397123 569204501 /nfs/dbraw/zinc/20/45/01/569204501.db2.gz SMBKMHJGADUVPJ-UHFFFAOYSA-N 0 0 426.366 2.695 50 0 IFAARN CCOc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCC(=O)N1CCCC1 ZINC000252666036 569209585 /nfs/dbraw/zinc/20/95/85/569209585.db2.gz AHDSAUKZWNLBIN-UHFFFAOYSA-N 0 0 449.532 2.857 50 0 IFAARN COc1ccc(CN2C(=S)N(C)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1OC ZINC000002232525 569210781 /nfs/dbraw/zinc/21/07/81/569210781.db2.gz AVGCHVXIXLJDLL-MRXNPFEDSA-N 0 0 431.489 2.799 50 0 IFAARN CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCc2ccccc2)[C@]12c1ccccc1N(C)C2=O ZINC000002260286 569215733 /nfs/dbraw/zinc/21/57/33/569215733.db2.gz BWRQZMQKTDCLCT-RUZDIDTESA-N 0 0 448.475 2.682 50 0 IFAARN O=C(NC1CCCCC1)[C@@H]1C(=O)C(=O)N(C2CCCCC2)[C@@H]1C(=O)NC1CCCCC1 ZINC000005725543 569256634 /nfs/dbraw/zinc/25/66/34/569256634.db2.gz GVHDWWRDXRZYHT-PMACEKPBSA-N 0 0 431.577 2.613 50 0 IFAARN COc1cc([C@@H]2c3cc4c(cc3O[C@](C)(O)[C@H]2C(C)=O)OCO4)cc(OC)c1OC(C)=O ZINC000017729501 569256953 /nfs/dbraw/zinc/25/69/53/569256953.db2.gz JAVOWJHRXAWIGR-GIWBLDEGSA-N 0 0 444.436 2.796 50 0 IFAARN CC(=O)O[C@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1OC(C)=O ZINC000048546800 569258242 /nfs/dbraw/zinc/25/82/42/569258242.db2.gz RBWWJLZVOQGLQV-QMOXEECBSA-N 0 0 442.464 2.906 50 0 IFAARN C[C@@H](C(=O)N(C)CC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)n1cccn1 ZINC000253395724 569264597 /nfs/dbraw/zinc/26/45/97/569264597.db2.gz GLFKHSPDYUHDJY-QEJZJMRPSA-N 0 0 437.313 2.867 50 0 IFAARN COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3SC(F)F)CC2)C1=O ZINC000253404302 569265061 /nfs/dbraw/zinc/26/50/61/569265061.db2.gz QXXBQJZJROGMLW-UHFFFAOYSA-N 0 0 427.473 2.517 50 0 IFAARN COc1cc2c(cc1OC)CC(=O)N(CCC(=O)N1CCN(c3ccccc3)CC1)C=C2 ZINC000253405472 569265309 /nfs/dbraw/zinc/26/53/09/569265309.db2.gz IHSZILOBMDLZOI-UHFFFAOYSA-N 0 0 435.524 2.798 50 0 IFAARN COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1ccc(Cn3cncn3)cc1)C=C2 ZINC000253409377 569265588 /nfs/dbraw/zinc/26/55/88/569265588.db2.gz LSLDMEYNAHGIGJ-UHFFFAOYSA-N 0 0 447.495 2.728 50 0 IFAARN COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000253420001 569266841 /nfs/dbraw/zinc/26/68/41/569266841.db2.gz SDYOALJXIVVMAX-GOSISDBHSA-N 0 0 448.564 2.781 50 0 IFAARN Cc1cccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)c1C ZINC000002291797 569268028 /nfs/dbraw/zinc/26/80/28/569268028.db2.gz AWCHYKAMRZPLCW-UHFFFAOYSA-N 0 0 444.539 2.835 50 0 IFAARN COc1ccccc1-n1c(SCC(N)=O)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002295508 569268135 /nfs/dbraw/zinc/26/81/35/569268135.db2.gz KKIFWZISHVDTHD-UHFFFAOYSA-N 0 0 431.539 2.885 50 0 IFAARN CC(C)CNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000027554033 569272146 /nfs/dbraw/zinc/27/21/46/569272146.db2.gz HAUSFKXPXRIPED-OAHLLOKOSA-N 0 0 428.549 2.718 50 0 IFAARN C[C@H](CNC(=O)c1cncc(Br)c1)NC(=O)c1cncc(Br)c1 ZINC000002311525 569272911 /nfs/dbraw/zinc/27/29/11/569272911.db2.gz GMFQVRMRQWUSHB-SECBINFHSA-N 0 0 442.111 2.550 50 0 IFAARN CC(=O)N[C@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@H]1Oc1cccc2ccccc21 ZINC000253498535 569283214 /nfs/dbraw/zinc/28/32/14/569283214.db2.gz FYTGFTLKWMSTHB-UKIRVEGOSA-N 0 0 425.437 2.516 50 0 IFAARN CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253499813 569283273 /nfs/dbraw/zinc/28/32/73/569283273.db2.gz OTLJDTMBQKLRPK-CYWVPSCZSA-N 0 0 448.556 2.715 50 0 IFAARN CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501930 569283560 /nfs/dbraw/zinc/28/35/60/569283560.db2.gz OTLJDTMBQKLRPK-SJVSKSPTSA-N 0 0 448.556 2.715 50 0 IFAARN COC(=O)C[C@@H](c1coc2ccc(Cl)cc2c1=O)C1C(=O)NC=C(C(=O)OC)C1=O ZINC000253623986 569284514 /nfs/dbraw/zinc/28/45/14/569284514.db2.gz XVAHQEUYOQSTBD-JTQLQIEISA-N 0 0 433.800 2.734 50 0 IFAARN COCCN1C(=O)C(=CNc2c(C#N)c(C)c(C)n2C2CCCCC2)C(=O)NC1=S ZINC000013149316 569289605 /nfs/dbraw/zinc/28/96/05/569289605.db2.gz WHPUJNXTXAEUJE-SFQUDFHCSA-N 0 0 429.546 2.667 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cc(C)ccc3OC)CC2)cc1 ZINC000008752785 569290284 /nfs/dbraw/zinc/29/02/84/569290284.db2.gz SCGATBQFGIZIDX-WUXMJOGZSA-N 0 0 444.553 2.949 50 0 IFAARN Cc1nc(N2CCN(C(=O)c3cncc(Br)c3)CC2)cc(C(F)(F)F)n1 ZINC000225734112 569293652 /nfs/dbraw/zinc/29/36/52/569293652.db2.gz NFIOADKETNNLOB-UHFFFAOYSA-N 0 0 430.228 2.924 50 0 IFAARN CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2N)c1 ZINC000002383629 569293958 /nfs/dbraw/zinc/29/39/58/569293958.db2.gz MAQCQBZHQAHILG-UHFFFAOYSA-N 0 0 427.486 2.906 50 0 IFAARN Cc1ccc(OCCSc2ncn(-c3nc(N(C)C)nc(N4CCCCC4)n3)n2)cc1 ZINC000027738976 569295701 /nfs/dbraw/zinc/29/57/01/569295701.db2.gz TZTNHQAMVRYMAQ-UHFFFAOYSA-N 0 0 440.577 2.988 50 0 IFAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1[C@H]1CCS(=O)(=O)C1 ZINC000027757586 569296865 /nfs/dbraw/zinc/29/68/65/569296865.db2.gz GNPQQZLMMFKCOK-FKIZINRSSA-N 0 0 427.457 2.654 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)Nc3ccccc3F)CC2)cc1 ZINC000002398537 569298663 /nfs/dbraw/zinc/29/86/63/569298663.db2.gz ULURVYCJOJDRBG-INIZCTEOSA-N 0 0 447.532 2.678 50 0 IFAARN CCCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O ZINC000002445246 569304407 /nfs/dbraw/zinc/30/44/07/569304407.db2.gz LNISKEMQKNHOST-SQJMNOBHSA-N 0 0 432.524 2.803 50 0 IFAARN COC(=O)C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000012978852 569305639 /nfs/dbraw/zinc/30/56/39/569305639.db2.gz ONOTXUGNVIMPSI-INIZCTEOSA-N 0 0 434.876 2.508 50 0 IFAARN Cc1ccc(OCCOC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1 ZINC000013039239 569307872 /nfs/dbraw/zinc/30/78/72/569307872.db2.gz PUIUPTUGIAXADV-UHFFFAOYSA-N 0 0 445.541 2.687 50 0 IFAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C(C)C)C2=O)cc1OC ZINC000013038789 569307908 /nfs/dbraw/zinc/30/79/08/569307908.db2.gz WFYHWWYITHEOJI-HSZRJFAPSA-N 0 0 425.485 2.912 50 0 IFAARN COc1cccc(CN(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)c1 ZINC000013040233 569307979 /nfs/dbraw/zinc/30/79/79/569307979.db2.gz SFTDRXKWEVBWKK-UHFFFAOYSA-N 0 0 425.938 2.669 50 0 IFAARN CC(=O)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000013040820 569308100 /nfs/dbraw/zinc/30/81/00/569308100.db2.gz VHMCTMLJDDHCFX-UHFFFAOYSA-N 0 0 428.466 2.978 50 0 IFAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(OC)cc(OC)c2)c(=O)[nH]c1=O ZINC000013040747 569308146 /nfs/dbraw/zinc/30/81/46/569308146.db2.gz PCHXZQDCDYYUDR-UHFFFAOYSA-N 0 0 432.521 2.629 50 0 IFAARN Cn1c(-c2ccccc2)nn(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1=S ZINC000013071850 569309019 /nfs/dbraw/zinc/30/90/19/569309019.db2.gz GNPBLZHZQROLAG-UHFFFAOYSA-N 0 0 447.561 2.721 50 0 IFAARN Cc1oc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)c2c1c(C)n[nH]c2=O ZINC000013108737 569310219 /nfs/dbraw/zinc/31/02/19/569310219.db2.gz GNXZEUQLDVAWDW-UHFFFAOYSA-N 0 0 425.228 2.817 50 0 IFAARN Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)c2C)no1 ZINC000013117089 569310912 /nfs/dbraw/zinc/31/09/12/569310912.db2.gz DZBUSSGGTQPSNP-HSZRJFAPSA-N 0 0 434.452 2.803 50 0 IFAARN COC(=O)c1ccc(COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1 ZINC000013148353 569312036 /nfs/dbraw/zinc/31/20/36/569312036.db2.gz ZXSULYURNCHPIY-HXUWFJFHSA-N 0 0 440.452 2.862 50 0 IFAARN CC(C)Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2c1=O ZINC000013147905 569312057 /nfs/dbraw/zinc/31/20/57/569312057.db2.gz DZXDHGGWZLCLIA-UHFFFAOYSA-N 0 0 428.514 2.555 50 0 IFAARN COC(=O)c1ccccc1N1C(=O)C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C1=O ZINC000013150468 569312277 /nfs/dbraw/zinc/31/22/77/569312277.db2.gz PTVNYEVSEBLKOH-UHFFFAOYSA-N 0 0 439.899 2.615 50 0 IFAARN COc1cc2c(cc1OC)CN([C@@H](C)C(=O)Nc1sc3c(c1C(N)=O)CCC3)CC2 ZINC000013163357 569312355 /nfs/dbraw/zinc/31/23/55/569312355.db2.gz JNWALABNXIDICB-LBPRGKRZSA-N 0 0 429.542 2.738 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)OC(C)(C)C)ccc2Cl)C[C@H](C)O1 ZINC000013287706 569312742 /nfs/dbraw/zinc/31/27/42/569312742.db2.gz FVPCFEVTAHXZMH-BETUJISGSA-N 0 0 447.937 2.636 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C[C@H](C)O1 ZINC000002456917 569314146 /nfs/dbraw/zinc/31/41/46/569314146.db2.gz QFALVAPNWLUXLE-STQMWFEESA-N 0 0 448.526 2.848 50 0 IFAARN Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccc(Cl)cc2)ccc1F ZINC000013371888 569315070 /nfs/dbraw/zinc/31/50/70/569315070.db2.gz VBQSRFTWLPDFBM-OALUTQOASA-N 0 0 445.965 2.559 50 0 IFAARN COC(=O)c1ccc(CNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)nc1 ZINC000328591385 569316971 /nfs/dbraw/zinc/31/69/71/569316971.db2.gz XOMAZFFPGUBSAQ-UHFFFAOYSA-N 0 0 428.448 2.556 50 0 IFAARN CN(C)C(=O)c1cccc(NS(=O)(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1 ZINC000328595995 569317867 /nfs/dbraw/zinc/31/78/67/569317867.db2.gz MRACSAZTDIRMRW-LJQANCHMSA-N 0 0 431.514 2.541 50 0 IFAARN CCCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000078874812 569319558 /nfs/dbraw/zinc/31/95/58/569319558.db2.gz MLTYONIJLBDASB-OALUTQOASA-N 0 0 442.560 2.612 50 0 IFAARN COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000078870190 569319602 /nfs/dbraw/zinc/31/96/02/569319602.db2.gz ADXBOFQKLIIMII-MRXNPFEDSA-N 0 0 441.513 2.567 50 0 IFAARN CCCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000078874809 569319621 /nfs/dbraw/zinc/31/96/21/569319621.db2.gz MLTYONIJLBDASB-MOPGFXCFSA-N 0 0 442.560 2.612 50 0 IFAARN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)CCn1cnc2ccccc2c1=O ZINC000078877561 569319818 /nfs/dbraw/zinc/31/98/18/569319818.db2.gz VUOOHZJIBBIEAB-AEFFLSMTSA-N 0 0 428.533 2.986 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C(=O)NCc1ccc(F)cc1 ZINC000078877970 569319820 /nfs/dbraw/zinc/31/98/20/569319820.db2.gz DNDUYHIFEXRJKJ-UHFFFAOYSA-N 0 0 436.281 2.610 50 0 IFAARN CC(=O)N(CCC(=O)NCc1nc2cc(Br)cnc2[nH]1)Cc1ccccc1 ZINC000078879063 569320032 /nfs/dbraw/zinc/32/00/32/569320032.db2.gz AYEVUZMLBGMAOI-UHFFFAOYSA-N 0 0 430.306 2.775 50 0 IFAARN CCN(CC)C(=O)c1ccc(NS(=O)(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000078902638 569320088 /nfs/dbraw/zinc/32/00/88/569320088.db2.gz DZXCOJIYUNWLOL-UHFFFAOYSA-N 0 0 442.534 2.523 50 0 IFAARN COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000078933519 569320344 /nfs/dbraw/zinc/32/03/44/569320344.db2.gz OBZRYFWZUZPJEQ-FXAWDEMLSA-N 0 0 446.569 2.856 50 0 IFAARN Cc1cc(NC(=O)CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)ccc1Br ZINC000078950543 569320473 /nfs/dbraw/zinc/32/04/73/569320473.db2.gz YGDGJGNQHNXCHT-KRWDZBQOSA-N 0 0 438.366 2.799 50 0 IFAARN COCCN(CC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)C(=O)OC(C)(C)C ZINC000078971587 569321061 /nfs/dbraw/zinc/32/10/61/569321061.db2.gz CYWLYJNJIBAVQO-IBGZPJMESA-N 0 0 433.549 2.681 50 0 IFAARN CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccccc1Br ZINC000079016365 569322133 /nfs/dbraw/zinc/32/21/33/569322133.db2.gz UBHNCWYMNWYRPL-UHFFFAOYSA-N 0 0 444.326 2.517 50 0 IFAARN O=C(NCCn1c(=O)[nH]c2ccccc21)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000079022668 569322471 /nfs/dbraw/zinc/32/24/71/569322471.db2.gz QMPFBTTWSUSXCF-MRXNPFEDSA-N 0 0 426.904 2.652 50 0 IFAARN Cc1nc2ccccc2c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000019620909 569323355 /nfs/dbraw/zinc/32/33/55/569323355.db2.gz ZGLGDSDMKOUOIW-AWEZNQCLSA-N 0 0 427.482 2.683 50 0 IFAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000079053279 569323577 /nfs/dbraw/zinc/32/35/77/569323577.db2.gz YKHPCDOXJWIQBS-UHFFFAOYSA-N 0 0 430.476 2.773 50 0 IFAARN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000079069353 569324387 /nfs/dbraw/zinc/32/43/87/569324387.db2.gz IECTXGNLHOSSOT-AUUYWEPGSA-N 0 0 434.489 2.992 50 0 IFAARN CN1CCN(C(=O)CSc2ccc(C(F)(F)F)cn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000079074161 569324742 /nfs/dbraw/zinc/32/47/42/569324742.db2.gz DMJRPWDKBCNFOF-CQSZACIVSA-N 0 0 448.511 2.860 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000019797326 569329656 /nfs/dbraw/zinc/32/96/56/569329656.db2.gz AWOLLVJRDLEQGX-NRFANRHFSA-N 0 0 446.550 2.892 50 0 IFAARN COc1ccc(OC)c(NC(=O)[C@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000079473817 569330587 /nfs/dbraw/zinc/33/05/87/569330587.db2.gz YQFUNQNKSHRDMI-KRWDZBQOSA-N 0 0 426.517 2.558 50 0 IFAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000079480975 569330863 /nfs/dbraw/zinc/33/08/63/569330863.db2.gz AUUVXUVEXKJBAD-CQSZACIVSA-N 0 0 435.937 2.525 50 0 IFAARN COc1ccc(CCc2nc(NC(=O)[C@@H]3CCCN(c4nc(C)cc(C)n4)C3)n[nH]2)cc1 ZINC000079483602 569330979 /nfs/dbraw/zinc/33/09/79/569330979.db2.gz ZBSRXGUOUFDOCY-GOSISDBHSA-N 0 0 435.532 2.860 50 0 IFAARN COc1ccc(C2(CNC(=O)CC3(Cn4cnnn4)CCCCC3)CCOCC2)cc1 ZINC000079485765 569331004 /nfs/dbraw/zinc/33/10/04/569331004.db2.gz OYHRFZINWGCJBM-UHFFFAOYSA-N 0 0 427.549 2.887 50 0 IFAARN Cc1c(C)c2cc(Cl)c(OCC(=O)NCCc3nnc4ccccn43)cc2oc1=O ZINC000079483567 569331016 /nfs/dbraw/zinc/33/10/16/569331016.db2.gz UFZLMSDVKRDQQY-UHFFFAOYSA-N 0 0 426.860 2.844 50 0 IFAARN C[C@@H](C(=O)NCCn1ccc2ccc(Br)cc21)n1nnc2ccccc2c1=O ZINC000079491030 569331315 /nfs/dbraw/zinc/33/13/15/569331315.db2.gz KRFGHGWCCKMVQK-ZDUSSCGKSA-N 0 0 440.301 2.886 50 0 IFAARN Cc1ccc(C)c(Cn2c(CN3CCc4ccccc4C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000020029450 569332454 /nfs/dbraw/zinc/33/24/54/569332454.db2.gz ODKPVCPXIOULPX-UHFFFAOYSA-N 0 0 443.551 2.657 50 0 IFAARN COc1cc(OC)c([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nnnn32)cc1OC ZINC000020133362 569335540 /nfs/dbraw/zinc/33/55/40/569335540.db2.gz DFLKCQJQOUMRSX-LJQANCHMSA-N 0 0 429.477 2.864 50 0 IFAARN NC(=O)C1CCN(C2CN(S(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)C2)CC1 ZINC000390825824 569353662 /nfs/dbraw/zinc/35/36/62/569353662.db2.gz GQACHLJRZDSUHL-UHFFFAOYSA-N 0 0 449.960 2.703 50 0 IFAARN O=C(NCCn1cc(-c2nc(-c3ccccn3)no2)nn1)c1ccccc1Br ZINC000390828340 569353917 /nfs/dbraw/zinc/35/39/17/569353917.db2.gz QMRSEYXZCYJOEP-UHFFFAOYSA-N 0 0 440.261 2.583 50 0 IFAARN COc1ccc(CC(=O)N2CCC(n3c(=O)[nH]c4ccsc4c3=O)CC2)cc1OC ZINC000390827748 569353960 /nfs/dbraw/zinc/35/39/60/569353960.db2.gz JUGYMIQVQQFPDT-UHFFFAOYSA-N 0 0 429.498 2.587 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ncccc4c3=O)CC2)c1C ZINC000390828693 569354098 /nfs/dbraw/zinc/35/40/98/569354098.db2.gz BQNUQDFUUIJYTA-UHFFFAOYSA-N 0 0 442.541 2.757 50 0 IFAARN CN1c2ccccc2N(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)S1(=O)=O ZINC000390832145 569354452 /nfs/dbraw/zinc/35/44/52/569354452.db2.gz XQDLSKJHHLGGNR-UHFFFAOYSA-N 0 0 441.962 2.694 50 0 IFAARN O=C(Cn1nc2c(cc1=O)CCCC2)NCCn1ccc2cc(Br)ccc21 ZINC000094993140 569355913 /nfs/dbraw/zinc/35/59/13/569355913.db2.gz NBRRBXHJEIZESA-UHFFFAOYSA-N 0 0 429.318 2.656 50 0 IFAARN O=C(CONC(=O)c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020218725 569356692 /nfs/dbraw/zinc/35/66/92/569356692.db2.gz WQUHPBSJWBXCMA-UHFFFAOYSA-N 0 0 442.825 2.764 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N[C@@H]1CCCC[C@@H]1C)cn2C ZINC000020240230 569357711 /nfs/dbraw/zinc/35/77/11/569357711.db2.gz DVMISFLINYXOLW-HNAYVOBHSA-N 0 0 433.574 2.878 50 0 IFAARN Cn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000020240251 569357795 /nfs/dbraw/zinc/35/77/95/569357795.db2.gz FFFZEOWHBIPTRO-UHFFFAOYSA-N 0 0 443.569 2.943 50 0 IFAARN Cc1ccc(CCNC(=O)[C@H](NS(=O)(=O)c2cccc3nsnc32)C(C)C)cc1 ZINC000020280935 569358727 /nfs/dbraw/zinc/35/87/27/569358727.db2.gz QBVFSPHGHWXING-GOSISDBHSA-N 0 0 432.571 2.662 50 0 IFAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCCCC4)C3)cc2oc1=O ZINC000020326700 569360452 /nfs/dbraw/zinc/36/04/52/569360452.db2.gz JKZRHYUGHHDUDE-MRXNPFEDSA-N 0 0 449.573 2.761 50 0 IFAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c1 ZINC000020326930 569360477 /nfs/dbraw/zinc/36/04/77/569360477.db2.gz PTGCEOGDCBEXJU-MRXNPFEDSA-N 0 0 443.525 2.788 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020328444 569360598 /nfs/dbraw/zinc/36/05/98/569360598.db2.gz BOCRZCSYMIZTCU-LJQANCHMSA-N 0 0 432.473 2.779 50 0 IFAARN O=C(NCCN1CCOCC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000020366332 569362146 /nfs/dbraw/zinc/36/21/46/569362146.db2.gz QCVHKJDYWJDPOO-UHFFFAOYSA-N 0 0 430.345 2.631 50 0 IFAARN C[C@H](C(=O)NCCn1ccc2ccc(Br)cc21)n1nnc2ccccc2c1=O ZINC000080337605 569362372 /nfs/dbraw/zinc/36/23/72/569362372.db2.gz KRFGHGWCCKMVQK-CYBMUJFWSA-N 0 0 440.301 2.886 50 0 IFAARN C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1cccnc1 ZINC000080337926 569362390 /nfs/dbraw/zinc/36/23/90/569362390.db2.gz SWHAAMWAHGQYOJ-CQSZACIVSA-N 0 0 436.343 2.925 50 0 IFAARN COc1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000080337812 569362426 /nfs/dbraw/zinc/36/24/26/569362426.db2.gz QESUCVCNEYNDKK-QGZVFWFLSA-N 0 0 426.517 2.558 50 0 IFAARN COc1cc2ncc(S(=O)(=O)c3ccccc3)c(N3CCN(C)CC3)c2cc1OC ZINC000020381835 569362683 /nfs/dbraw/zinc/36/26/83/569362683.db2.gz IKSUVDJKBLBFKT-UHFFFAOYSA-N 0 0 427.526 2.837 50 0 IFAARN C[C@@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)N1CCC2(CC1)OCCO2 ZINC000080356086 569363308 /nfs/dbraw/zinc/36/33/08/569363308.db2.gz OFBQGIHKCULTFF-MRXNPFEDSA-N 0 0 435.480 2.979 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)CC1 ZINC000095392685 569363424 /nfs/dbraw/zinc/36/34/24/569363424.db2.gz HWISBKMLNJAELT-UHFFFAOYSA-N 0 0 425.913 2.596 50 0 IFAARN CCOCCCNC(=O)CCc1c(C)n(CC)c2cc(-c3ccccc3OC)nn2c1=O ZINC000020437192 569365501 /nfs/dbraw/zinc/36/55/01/569365501.db2.gz ISLQQXPWVCDACI-UHFFFAOYSA-N 0 0 440.544 2.975 50 0 IFAARN COc1ccccc1-c1nn(CCC(=O)NCCN2CCOCC2)c2nc(C)cc(C)c12 ZINC000020437711 569365521 /nfs/dbraw/zinc/36/55/21/569365521.db2.gz FTMWPOYIFJQMEV-UHFFFAOYSA-N 0 0 437.544 2.562 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC1(O)CCS(=O)(=O)CC1)CC2 ZINC000095427129 569365938 /nfs/dbraw/zinc/36/59/38/569365938.db2.gz HHCRFNOZYLBUHQ-FQEVSTJZSA-N 0 0 437.583 2.653 50 0 IFAARN C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(N(C)C(=O)[C@@H](C)OCC(F)(F)F)nc1 ZINC000095440771 569366571 /nfs/dbraw/zinc/36/65/71/569366571.db2.gz NJFVQRIQPKYNGU-NXEZZACHSA-N 0 0 431.333 2.918 50 0 IFAARN Cc1ncsc1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000095444181 569367008 /nfs/dbraw/zinc/36/70/08/569367008.db2.gz HCVOKSDAGPAVBR-CVEARBPZSA-N 0 0 436.578 2.819 50 0 IFAARN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000095447502 569367485 /nfs/dbraw/zinc/36/74/85/569367485.db2.gz RKUOILFLEWBTQI-UHFFFAOYSA-N 0 0 439.578 2.669 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000095447501 569367513 /nfs/dbraw/zinc/36/75/13/569367513.db2.gz FNUFLOYSHULLNG-UHFFFAOYSA-N 0 0 445.969 2.623 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000095451726 569367863 /nfs/dbraw/zinc/36/78/63/569367863.db2.gz DMVBZYDHGNNFDB-CYBMUJFWSA-N 0 0 430.324 2.560 50 0 IFAARN COC(=O)C[C@@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)c1ccc(OC)cc1OC ZINC000095454184 569368212 /nfs/dbraw/zinc/36/82/12/569368212.db2.gz YUNAZDNCUCMOGG-OAHLLOKOSA-N 0 0 430.486 2.595 50 0 IFAARN COc1ccc(CCNC(=O)CCc2ccccc2OC(F)(F)F)cc1S(N)(=O)=O ZINC000095455575 569368573 /nfs/dbraw/zinc/36/85/73/569368573.db2.gz KPWCADNUYXFVQQ-UHFFFAOYSA-N 0 0 446.447 2.533 50 0 IFAARN CCOc1ccc(NC(=O)Cc2ccccc2C(=O)OC)cc1S(=O)(=O)N1CCCC1 ZINC000095456768 569368947 /nfs/dbraw/zinc/36/89/47/569368947.db2.gz PGRJMRBOEYFGBY-UHFFFAOYSA-N 0 0 446.525 2.838 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc(Cl)ccn3)CC2)cc1 ZINC000095457322 569368959 /nfs/dbraw/zinc/36/89/59/569368959.db2.gz KCTQKMBROJXJQJ-UHFFFAOYSA-N 0 0 437.949 2.851 50 0 IFAARN Cc1cccc2nc(CNS(=O)(=O)c3ccc(CCNC(=O)C(C)(C)C)s3)cn21 ZINC000095457542 569369056 /nfs/dbraw/zinc/36/90/56/569369056.db2.gz IGOFOLXFOYBFDV-UHFFFAOYSA-N 0 0 434.587 2.888 50 0 IFAARN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000095458133 569369174 /nfs/dbraw/zinc/36/91/74/569369174.db2.gz HPAGTDHZHSJOPE-SPLOXXLWSA-N 0 0 436.505 2.589 50 0 IFAARN COCC[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1)c1ccc(C)o1 ZINC000095465961 569370817 /nfs/dbraw/zinc/37/08/17/569370817.db2.gz LAUGBKKHTMNPKZ-ROUUACIJSA-N 0 0 440.587 2.882 50 0 IFAARN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000095466708 569371041 /nfs/dbraw/zinc/37/10/41/569371041.db2.gz KZJDVWUYHPYXMO-YJYMSZOUSA-N 0 0 436.890 2.789 50 0 IFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc4c(s3)CCCCC4)C2=O)cc1 ZINC000095473841 569372462 /nfs/dbraw/zinc/37/24/62/569372462.db2.gz ZSVSBLJBBDCMOU-MRXNPFEDSA-N 0 0 428.514 2.870 50 0 IFAARN C[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)c1nnc2ccccn21 ZINC000095475527 569372712 /nfs/dbraw/zinc/37/27/12/569372712.db2.gz LLKOFNSDXSLSGT-CYBMUJFWSA-N 0 0 433.921 2.804 50 0 IFAARN O=C(NCCc1ccc(O)cc1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095476111 569372943 /nfs/dbraw/zinc/37/29/43/569372943.db2.gz LRAGPMMITCLNIH-ZDUSSCGKSA-N 0 0 443.301 2.743 50 0 IFAARN COc1ccc([C@H]2[C@H](C(=O)NCCc3c[nH]cn3)c3ccccc3C(=O)N2C)cc1OC ZINC000095478924 569373604 /nfs/dbraw/zinc/37/36/04/569373604.db2.gz NYPGTDDIHZHTMF-YADHBBJMSA-N 0 0 434.496 2.696 50 0 IFAARN O=C(COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1)Nc1cccc2nsnc21 ZINC000095943789 569375677 /nfs/dbraw/zinc/37/56/77/569375677.db2.gz DNUJLPZOFKUAPJ-COXVUDFISA-N 0 0 438.513 2.801 50 0 IFAARN O=S(=O)(N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000095945086 569375806 /nfs/dbraw/zinc/37/58/06/569375806.db2.gz YEJLTJNFYXJNJE-MRXNPFEDSA-N 0 0 440.403 2.663 50 0 IFAARN O=C(CN1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1)NCc1ccccc1 ZINC000095947120 569376164 /nfs/dbraw/zinc/37/61/64/569376164.db2.gz MCAZCVHJXUPRDY-UHFFFAOYSA-N 0 0 425.920 2.824 50 0 IFAARN NC(=O)[C@H]1CN(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)CCO1 ZINC000095957698 569376987 /nfs/dbraw/zinc/37/69/87/569376987.db2.gz USPCLRNPSGESII-IAGOWNOFSA-N 0 0 436.281 2.573 50 0 IFAARN C[C@H](NC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1)c1cc2ccccc2o1 ZINC000095961231 569377115 /nfs/dbraw/zinc/37/71/15/569377115.db2.gz LQOGRHBNSHAYKC-IBGZPJMESA-N 0 0 426.561 2.630 50 0 IFAARN O=C1O[C@@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CN1c1ccccc1 ZINC000095961303 569377139 /nfs/dbraw/zinc/37/71/39/569377139.db2.gz ZJMVDZYMWVDHEI-KRWDZBQOSA-N 0 0 425.514 2.941 50 0 IFAARN NC(=O)[C@H]1CN(Cc2nnc(C3CCC3)o2)c2ccccc2N1Cc1nnc(C2CCC2)o1 ZINC000095979969 569377896 /nfs/dbraw/zinc/37/78/96/569377896.db2.gz KVYXTYBBTFFIEL-GOSISDBHSA-N 0 0 449.515 2.868 50 0 IFAARN CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCOc3ccc(C)cc32)c(OC)c1 ZINC000095995692 569378600 /nfs/dbraw/zinc/37/86/00/569378600.db2.gz MQTRBKOOGYXDFX-UHFFFAOYSA-N 0 0 440.543 2.743 50 0 IFAARN Cc1ccc(F)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000095995727 569378622 /nfs/dbraw/zinc/37/86/22/569378622.db2.gz IFHXVCKRFWZZPK-UHFFFAOYSA-N 0 0 448.925 2.609 50 0 IFAARN Cc1c(NC(=O)CSCC(=O)Nc2ncc(C)cc2C)c(=O)n(-c2ccccc2)n1C ZINC000096002235 569379013 /nfs/dbraw/zinc/37/90/13/569379013.db2.gz GSSMJRKJNWLLPQ-UHFFFAOYSA-N 0 0 439.541 2.807 50 0 IFAARN COC(=O)CCN(CC(OC)OC)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000096011681 569379893 /nfs/dbraw/zinc/37/98/93/569379893.db2.gz KNHOYZQSEITSOO-UHFFFAOYSA-N 0 0 444.513 2.620 50 0 IFAARN CCOC(=O)Cc1csc(NC(=O)CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000096012943 569380161 /nfs/dbraw/zinc/38/01/61/569380161.db2.gz CVXRFVGLNCFOQE-OAHLLOKOSA-N 0 0 440.566 2.566 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 ZINC000096024334 569380557 /nfs/dbraw/zinc/38/05/57/569380557.db2.gz LMAQSCOELVFILR-UHFFFAOYSA-N 0 0 445.522 2.737 50 0 IFAARN O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3ccc4oc(=O)[nH]c4c3)cc2C1 ZINC000096025701 569380730 /nfs/dbraw/zinc/38/07/30/569380730.db2.gz YBGBPYJREVYJQG-UHFFFAOYSA-N 0 0 439.449 2.713 50 0 IFAARN Cn1c2cc(S(=O)(=O)NC[C@](C)(O)c3ccc(-c4ccccc4)cc3)ccc2oc1=O ZINC000096025776 569380733 /nfs/dbraw/zinc/38/07/33/569380733.db2.gz OFTJKHBKEXBRBY-QHCPKHFHSA-N 0 0 438.505 2.985 50 0 IFAARN O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096096868 569381320 /nfs/dbraw/zinc/38/13/20/569381320.db2.gz HRMZLJZFIYZIQN-ZDUSSCGKSA-N 0 0 446.960 2.887 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NCCn3ccc(-c4ccccn4)n3)n(C)n2)c1 ZINC000096098914 569381592 /nfs/dbraw/zinc/38/15/92/569381592.db2.gz QHGODFUXXFEMOP-UHFFFAOYSA-N 0 0 432.484 2.793 50 0 IFAARN O=C(c1cccc(-n2cnnn2)c1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096102935 569381946 /nfs/dbraw/zinc/38/19/46/569381946.db2.gz YMBFRGQFIJJWCZ-UHFFFAOYSA-N 0 0 429.278 2.503 50 0 IFAARN O=C(CCn1cnc2ccccc2c1=O)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103487 569381976 /nfs/dbraw/zinc/38/19/76/569381976.db2.gz DAKPXQAIBFNSGL-QGZVFWFLSA-N 0 0 445.928 2.515 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c1 ZINC000096103502 569382060 /nfs/dbraw/zinc/38/20/60/569382060.db2.gz RNLSWPIXZFWSEY-SFHVURJKSA-N 0 0 427.931 2.780 50 0 IFAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(C)cc2)C3=O)cc1F ZINC000096105337 569382343 /nfs/dbraw/zinc/38/23/43/569382343.db2.gz UJSSMRVYENVOQJ-UHFFFAOYSA-N 0 0 425.460 2.870 50 0 IFAARN O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000096105362 569382372 /nfs/dbraw/zinc/38/23/72/569382372.db2.gz YNQWKQYVFJEEHD-UHFFFAOYSA-N 0 0 441.871 2.796 50 0 IFAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)COc4ccc(F)cc4)CC3)C2=O)c1 ZINC000096105592 569382549 /nfs/dbraw/zinc/38/25/49/569382549.db2.gz QSZKRYASSPYSRE-UHFFFAOYSA-N 0 0 439.487 2.935 50 0 IFAARN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1cc(-c2ccc3c(c2)CCO3)[nH]n1 ZINC000096113959 569382788 /nfs/dbraw/zinc/38/27/88/569382788.db2.gz IDUYCISVGMIXDV-FQEVSTJZSA-N 0 0 443.463 2.821 50 0 IFAARN CC(C)Cn1cnc2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2c1=O ZINC000096115777 569383396 /nfs/dbraw/zinc/38/33/96/569383396.db2.gz KDMMBZGTNRGJPP-FQEVSTJZSA-N 0 0 447.495 2.522 50 0 IFAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nnc(CCc3ccccc3)[nH]1)C=C2 ZINC000096118178 569384362 /nfs/dbraw/zinc/38/43/62/569384362.db2.gz MVHPNYQBAWFALD-UHFFFAOYSA-N 0 0 447.495 2.601 50 0 IFAARN COc1ccc2[nH]c(=O)c([C@H]3SCC(=O)Nc4c3c(=O)[nH]n4C3CCOCC3)cc2c1 ZINC000096118093 569384480 /nfs/dbraw/zinc/38/44/80/569384480.db2.gz GVGHGSHMCIZLLA-GOSISDBHSA-N 0 0 442.497 2.565 50 0 IFAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3)CC1)C=C2 ZINC000096118832 569384513 /nfs/dbraw/zinc/38/45/13/569384513.db2.gz QWCXEFUYJLMTNP-UHFFFAOYSA-N 0 0 439.487 2.547 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)CC1 ZINC000096119749 569384781 /nfs/dbraw/zinc/38/47/81/569384781.db2.gz DBLDTCSYZSXMDL-UHFFFAOYSA-N 0 0 446.554 2.999 50 0 IFAARN O=C(NCc1csc(-c2ccccc2)n1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124182 569385536 /nfs/dbraw/zinc/38/55/36/569385536.db2.gz SXJPWFUXFXRHKJ-UHFFFAOYSA-N 0 0 446.540 2.714 50 0 IFAARN COCCn1c(C[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)C2)nc2cccnc21 ZINC000096125069 569385616 /nfs/dbraw/zinc/38/56/16/569385616.db2.gz PRTBJVVFEUBTBT-KRWDZBQOSA-N 0 0 440.569 2.820 50 0 IFAARN COC(=O)c1cc(/C=C\C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)oc1C ZINC000096129260 569385758 /nfs/dbraw/zinc/38/57/58/569385758.db2.gz BYQIMGTZGCOHFY-XQRVVYSFSA-N 0 0 440.452 2.994 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000096211393 569386789 /nfs/dbraw/zinc/38/67/89/569386789.db2.gz ZTVCFWNDVZRSTB-RBUKOAKNSA-N 0 0 448.560 2.597 50 0 IFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000096221196 569386867 /nfs/dbraw/zinc/38/68/67/569386867.db2.gz ZSPIKXJQPPXIGV-LNLFQRSKSA-N 0 0 437.993 2.876 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCn3ccc4ccccc43)C2=O)cc1 ZINC000096231536 569387613 /nfs/dbraw/zinc/38/76/13/569387613.db2.gz IKFBTFOWLOXBPK-FQEVSTJZSA-N 0 0 434.496 2.667 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(C)cc2)CC1 ZINC000096232857 569387862 /nfs/dbraw/zinc/38/78/62/569387862.db2.gz KTPYRSRHOCDQBU-ZHACJKMWSA-N 0 0 430.574 2.936 50 0 IFAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCCO2)NCCN1CCOCC1 ZINC000096276272 569388555 /nfs/dbraw/zinc/38/85/55/569388555.db2.gz YYAXKFLSSJTLNI-HXUWFJFHSA-N 0 0 435.524 2.910 50 0 IFAARN CC(C)NC(=O)[C@]1(OCc2ccc(F)cc2F)C[C@@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C1 ZINC000096287802 569390456 /nfs/dbraw/zinc/39/04/56/569390456.db2.gz TYOZWVSSRSPNGI-GBAAUQCPSA-N 0 0 449.494 2.846 50 0 IFAARN COCCNC(=O)c1ccccc1CSc1nnc(-c2ccncc2)n1CCOC ZINC000096291005 569391016 /nfs/dbraw/zinc/39/10/16/569391016.db2.gz FNXJCMHUIITOGT-UHFFFAOYSA-N 0 0 427.530 2.655 50 0 IFAARN O=C(c1nn(-c2ccccc2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O)N1CCCC1 ZINC000096293737 569391650 /nfs/dbraw/zinc/39/16/50/569391650.db2.gz ISPYJZPLPULRIF-UHFFFAOYSA-N 0 0 444.413 2.697 50 0 IFAARN COC(=O)COc1ccc(NC(=O)[C@H](C)NC(=O)/C=C\c2ccc(OC)cc2)c(C)c1 ZINC000096309054 569392279 /nfs/dbraw/zinc/39/22/79/569392279.db2.gz YQHXDAFYTBWXNT-FGLWMGOFSA-N 0 0 426.469 2.712 50 0 IFAARN CN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)Cc1nc2ccccc2s1 ZINC000096311032 569392576 /nfs/dbraw/zinc/39/25/76/569392576.db2.gz QOAUZQDNNVHMAV-UHFFFAOYSA-N 0 0 438.553 2.801 50 0 IFAARN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000096315858 569392760 /nfs/dbraw/zinc/39/27/60/569392760.db2.gz ZPVWLOUUMFVEKC-VJIACCKLSA-N 0 0 429.586 2.755 50 0 IFAARN CCS(=O)(=O)N1CCN(c2nc(C3CC3)nc(C)c2Cc2cccc(OC)c2)CC1 ZINC000096316903 569393000 /nfs/dbraw/zinc/39/30/00/569393000.db2.gz UJYXYRYAHMHASG-UHFFFAOYSA-N 0 0 430.574 2.734 50 0 IFAARN CCCS(=O)(=O)N1CCN(c2nc(C)nc(CC)c2Cc2cccc(OC)c2)CC1 ZINC000096317567 569393507 /nfs/dbraw/zinc/39/35/07/569393507.db2.gz XVWFYRCIEXKKSN-UHFFFAOYSA-N 0 0 432.590 2.809 50 0 IFAARN COc1ccccc1-n1c(=O)c2cc(C)ccc2n(CC(=O)NCc2ccc(F)cc2)c1=O ZINC000096318131 569393737 /nfs/dbraw/zinc/39/37/37/569393737.db2.gz ABVPDXBEXRSCAV-UHFFFAOYSA-N 0 0 447.466 2.925 50 0 IFAARN Cc1[nH]c(C(=O)Nc2cccc(Br)c2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000096320066 569394092 /nfs/dbraw/zinc/39/40/92/569394092.db2.gz HRFOVJPQEVAUAW-UHFFFAOYSA-N 0 0 442.335 2.667 50 0 IFAARN CCn1c2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc2[nH]c(=O)c1=O ZINC000096320611 569394104 /nfs/dbraw/zinc/39/41/04/569394104.db2.gz OXXKYZGWUKWXBN-HNNXBMFYSA-N 0 0 431.452 2.589 50 0 IFAARN Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)NCC(C)C)CC3)nc3cccnc32)cc1 ZINC000096321714 569394167 /nfs/dbraw/zinc/39/41/67/569394167.db2.gz XFVHXTWUJMPSKE-UHFFFAOYSA-N 0 0 434.544 2.636 50 0 IFAARN COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccccc5C)c(=O)n4ccn3n2)cc1 ZINC000096322590 569394768 /nfs/dbraw/zinc/39/47/68/569394768.db2.gz SEYHRQUNFMXIMH-UHFFFAOYSA-N 0 0 428.452 2.766 50 0 IFAARN CC[C@@H](C)NS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC ZINC000096324010 569395606 /nfs/dbraw/zinc/39/56/06/569395606.db2.gz YEZRSPWBYCVODM-GFCCVEGCSA-N 0 0 432.502 2.590 50 0 IFAARN COc1cc(C(=O)N[C@H](CC(C)C)C(=O)N=c2[nH]c3ccccc3[nH]2)cc(OC)c1OC ZINC000096332438 569396450 /nfs/dbraw/zinc/39/64/50/569396450.db2.gz KMPOMHPKXXEVMR-QGZVFWFLSA-N 0 0 440.500 2.794 50 0 IFAARN CCn1c(=O)c(N2CCC(NC(=O)Nc3cc(C)ccc3OC)CC2)nc2cccnc21 ZINC000096333196 569396537 /nfs/dbraw/zinc/39/65/37/569396537.db2.gz YSKNFNQEXRMLDQ-UHFFFAOYSA-N 0 0 436.516 2.919 50 0 IFAARN O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000096343950 569396894 /nfs/dbraw/zinc/39/68/94/569396894.db2.gz DSRGFYMGBQISNR-KRWDZBQOSA-N 0 0 437.931 2.914 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000096344332 569397026 /nfs/dbraw/zinc/39/70/26/569397026.db2.gz MCOJHEKHIQNOMR-CQSZACIVSA-N 0 0 425.439 2.543 50 0 IFAARN COc1ccc(CCNC(=O)c2sc(=S)n(CCCN3CCOCC3)c2N)cc1 ZINC000096346616 569397161 /nfs/dbraw/zinc/39/71/61/569397161.db2.gz IIUOSSAFYBRWGI-UHFFFAOYSA-N 0 0 436.603 2.565 50 0 IFAARN COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)N(c4n[nH]c5cccc(F)c54)C3)c2c1 ZINC000096345363 569397165 /nfs/dbraw/zinc/39/71/65/569397165.db2.gz SDVVNOKDLFIIRX-CQSZACIVSA-N 0 0 435.459 2.904 50 0 IFAARN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccc(C)c(N2CCCC2=O)c1)OC ZINC000096385269 569398339 /nfs/dbraw/zinc/39/83/39/569398339.db2.gz BIQVXIZYTJBCOC-FQEVSTJZSA-N 0 0 425.485 2.573 50 0 IFAARN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccccc3Br)C2=O)cc1 ZINC000096396191 569398956 /nfs/dbraw/zinc/39/89/56/569398956.db2.gz PWPJWRJRURFRNQ-OAHLLOKOSA-N 0 0 425.304 2.542 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(c3cnc4nccnc4c3)C2)CC1 ZINC000096387209 569398877 /nfs/dbraw/zinc/39/88/77/569398877.db2.gz ZBYAUQSNMNFBIK-SFHVURJKSA-N 0 0 432.528 2.599 50 0 IFAARN CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000096399358 569400085 /nfs/dbraw/zinc/40/00/85/569400085.db2.gz XETPGSUXZJBMNH-UHFFFAOYSA-N 0 0 430.549 2.824 50 0 IFAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)N3CCN(C(C)C)CC3)sc2c1 ZINC000096399566 569400201 /nfs/dbraw/zinc/40/02/01/569400201.db2.gz GCXHRNWQTDOKIZ-UHFFFAOYSA-N 0 0 442.632 2.703 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2nc(C)c3sc(C(C)C)nc3c2=O)CC1 ZINC000096400123 569400377 /nfs/dbraw/zinc/40/03/77/569400377.db2.gz DRVMKOMPKVPXQW-UHFFFAOYSA-N 0 0 441.557 2.642 50 0 IFAARN Cc1nn(CC(=O)N2CCN(c3ccccn3)CC2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400169 569400424 /nfs/dbraw/zinc/40/04/24/569400424.db2.gz LHLIHMCKEKEARZ-UHFFFAOYSA-N 0 0 446.536 2.572 50 0 IFAARN COc1ccccc1/C=C/C=c1sc2nc(=O)c(Cc3ccccc3Cl)nn2c1=O ZINC000254555172 569402311 /nfs/dbraw/zinc/40/23/11/569402311.db2.gz BWOPVGDPTXLRNR-ZCHOPRNZSA-N 0 0 437.908 2.977 50 0 IFAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CCO)C2)cc1 ZINC000097020207 569402884 /nfs/dbraw/zinc/40/28/84/569402884.db2.gz VVZPJTJTJAAVPD-KRWDZBQOSA-N 0 0 432.542 2.755 50 0 IFAARN COc1cccc(CCC(=O)N2CCCN([C@@H]3CCN(Cc4ccccc4)C3=O)CC2)c1 ZINC000097161546 569403285 /nfs/dbraw/zinc/40/32/85/569403285.db2.gz YAGMNYQWUVBANF-XMMPIXPASA-N 0 0 435.568 2.963 50 0 IFAARN O=C(NCc1cccs1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000002464793 569403797 /nfs/dbraw/zinc/40/37/97/569403797.db2.gz LSSZMEKLYBMHPB-UHFFFAOYSA-N 0 0 431.539 2.694 50 0 IFAARN Cc1ccccc1-n1c(=O)[nH]nc1CC1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000225550586 569404338 /nfs/dbraw/zinc/40/43/38/569404338.db2.gz NONBFUWHAXMJAB-UHFFFAOYSA-N 0 0 448.495 2.791 50 0 IFAARN O=C1COC(=O)N1C[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000225638516 569406294 /nfs/dbraw/zinc/40/62/94/569406294.db2.gz MQMKXCLFZIEFCN-NSHDSACASA-N 0 0 445.316 2.509 50 0 IFAARN O=S(=O)(NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000028051546 569406778 /nfs/dbraw/zinc/40/67/78/569406778.db2.gz HKTQZSCVUSFDPK-UHFFFAOYSA-N 0 0 442.868 2.616 50 0 IFAARN O=C(CCc1cc(Br)ccc1OC(F)F)N1CC[C@@H](N2C(=O)COC2=O)C1 ZINC000225701280 569407331 /nfs/dbraw/zinc/40/73/31/569407331.db2.gz WJJJCHQRBGDALX-GFCCVEGCSA-N 0 0 447.232 2.563 50 0 IFAARN O=C(CCc1cc(Br)ccc1OC(F)F)N1CC[C@H](N2C(=O)COC2=O)C1 ZINC000225701255 569407355 /nfs/dbraw/zinc/40/73/55/569407355.db2.gz WJJJCHQRBGDALX-LBPRGKRZSA-N 0 0 447.232 2.563 50 0 IFAARN O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225728642 569407531 /nfs/dbraw/zinc/40/75/31/569407531.db2.gz MBJDOZYIXJFQFK-UHFFFAOYSA-N 0 0 446.389 2.577 50 0 IFAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225731616 569407640 /nfs/dbraw/zinc/40/76/40/569407640.db2.gz PHOXSYCYBFKQGX-UHFFFAOYSA-N 0 0 426.464 2.885 50 0 IFAARN Cc1nc(N2CCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)n1 ZINC000225732932 569407665 /nfs/dbraw/zinc/40/76/65/569407665.db2.gz XVEYJOHPCNIVCG-CQSZACIVSA-N 0 0 443.470 2.852 50 0 IFAARN O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225732626 569407708 /nfs/dbraw/zinc/40/77/08/569407708.db2.gz NEDFIOPBNXUDQY-HNNXBMFYSA-N 0 0 428.432 2.944 50 0 IFAARN O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000225737190 569407790 /nfs/dbraw/zinc/40/77/90/569407790.db2.gz DTQCSVARTOALLX-UHFFFAOYSA-N 0 0 447.583 2.993 50 0 IFAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1 ZINC000225758593 569408171 /nfs/dbraw/zinc/40/81/71/569408171.db2.gz GYOHFKWCHMRRQX-UHFFFAOYSA-N 0 0 427.507 2.942 50 0 IFAARN Cn1cc(CC(=O)N2CCC(n3c(=O)[nH]c4ccc(F)cc4c3=O)CC2)c2ccccc21 ZINC000225761224 569408289 /nfs/dbraw/zinc/40/82/89/569408289.db2.gz FEOMWDYSCFXONI-UHFFFAOYSA-N 0 0 434.471 2.727 50 0 IFAARN CC[NH2+]CCNC(=O)c1c([O-])c2cc(Br)cc(Br)c2[nH]c1=O ZINC000299738276 569408458 /nfs/dbraw/zinc/40/84/58/569408458.db2.gz QKVFHTBIRXIZRU-UHFFFAOYSA-N 0 0 433.100 2.510 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)C1 ZINC000225779944 569408610 /nfs/dbraw/zinc/40/86/10/569408610.db2.gz JLLDTHROQLDGFU-CQSZACIVSA-N 0 0 446.935 2.880 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)cc1 ZINC000225822297 569409211 /nfs/dbraw/zinc/40/92/11/569409211.db2.gz PORURNUPPJUABK-UHFFFAOYSA-N 0 0 443.525 2.707 50 0 IFAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000028340936 569409783 /nfs/dbraw/zinc/40/97/83/569409783.db2.gz BBQFCRCEWJOBCV-AWEZNQCLSA-N 0 0 425.551 2.501 50 0 IFAARN COc1cc(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc(OC)c1C ZINC000002617072 569410255 /nfs/dbraw/zinc/41/02/55/569410255.db2.gz XJUYVTWOLWHOMA-UHFFFAOYSA-N 0 0 432.542 2.776 50 0 IFAARN COc1ccc(-n2c(S[C@H](C)C(=O)NC(N)=O)nc3ccccc3c2=O)cc1Cl ZINC000002619495 569410759 /nfs/dbraw/zinc/41/07/59/569410759.db2.gz HBLYCOCMVRPVGP-SNVBAGLBSA-N 0 0 432.889 2.723 50 0 IFAARN O=C(CCCOC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000002630035 569412220 /nfs/dbraw/zinc/41/22/20/569412220.db2.gz WIMQCYQWVSFMIB-UHFFFAOYSA-N 0 0 435.473 2.667 50 0 IFAARN CCc1nc2c(C)nn(C)c2c(N2CCN(C(=O)COc3ccccc3Cl)CC2)n1 ZINC000028559413 569412282 /nfs/dbraw/zinc/41/22/82/569412282.db2.gz CLFGONAWGFXXFZ-UHFFFAOYSA-N 0 0 428.924 2.615 50 0 IFAARN COC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000002634005 569412719 /nfs/dbraw/zinc/41/27/19/569412719.db2.gz JJNBSPHWTJPSBR-LBPRGKRZSA-N 0 0 430.844 2.889 50 0 IFAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000002635530 569412861 /nfs/dbraw/zinc/41/28/61/569412861.db2.gz DCDPGQUQGTTZED-CYBMUJFWSA-N 0 0 437.905 2.704 50 0 IFAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCS(=O)(=O)Oc1ccccc1 ZINC000002643565 569413884 /nfs/dbraw/zinc/41/38/84/569413884.db2.gz JWKXSSOGJUMOTK-UHFFFAOYSA-N 0 0 436.489 2.891 50 0 IFAARN O=C(NCCCN1CCOCC1)/C(=C/c1cccnc1Cl)C(=O)Nc1ccccc1 ZINC000215740436 569414649 /nfs/dbraw/zinc/41/46/49/569414649.db2.gz OTFJFEKQYPUAPD-MNDPQUGUSA-N 0 0 428.920 2.596 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O ZINC000002659666 569415848 /nfs/dbraw/zinc/41/58/48/569415848.db2.gz WWWKHOYACGNXCE-QFIPXVFZSA-N 0 0 440.525 2.522 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000215760539 569415928 /nfs/dbraw/zinc/41/59/28/569415928.db2.gz JCIWCKWDLLVMQJ-HZPDHXFCSA-N 0 0 435.615 2.665 50 0 IFAARN COc1ccc(OCc2nnc(S[C@H](C)C(=O)NC(N)=O)n2-c2ccccc2F)cc1 ZINC000002660769 569416045 /nfs/dbraw/zinc/41/60/45/569416045.db2.gz XLHYLAABSQDZQP-GFCCVEGCSA-N 0 0 445.476 2.670 50 0 IFAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1sccc1C(N)=O ZINC000002663069 569416246 /nfs/dbraw/zinc/41/62/46/569416246.db2.gz MUXFDDPGNXZMNV-UHFFFAOYSA-N 0 0 435.461 2.904 50 0 IFAARN Cc1nn(C)cc1C=C1N=C(SCC(=O)c2ccc3c(c2)OCCO3)N(C2CC2)C1=O ZINC000002800674 569422446 /nfs/dbraw/zinc/42/24/46/569422446.db2.gz NOQMQYNYEOWQPM-MFOYZWKCSA-N 0 0 438.509 2.817 50 0 IFAARN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc2c(c(Br)c1)OCO2 ZINC000028924273 569423490 /nfs/dbraw/zinc/42/34/90/569423490.db2.gz SAFZIICRDYLRHM-SFHVURJKSA-N 0 0 432.274 2.515 50 0 IFAARN CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1CCC(N)=O ZINC000028947872 569423715 /nfs/dbraw/zinc/42/37/15/569423715.db2.gz KJXURXZSTDFOKH-GFCCVEGCSA-N 0 0 433.563 2.779 50 0 IFAARN CCOC(=O)CC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000002909037 569424775 /nfs/dbraw/zinc/42/47/75/569424775.db2.gz MPAUUVGQKLGHTL-UHFFFAOYSA-N 0 0 446.506 2.849 50 0 IFAARN CCCCNC(=O)c1sc2ncn(CC(=O)Nc3ccccc3OC)c(=O)c2c1C ZINC000002922762 569425511 /nfs/dbraw/zinc/42/55/11/569425511.db2.gz QXAAEHZPNMAUNY-UHFFFAOYSA-N 0 0 428.514 2.944 50 0 IFAARN CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1C)C(=O)N1CCOCC1 ZINC000002926983 569425754 /nfs/dbraw/zinc/42/57/54/569425754.db2.gz IELUMLYBJFLCRB-MRXNPFEDSA-N 0 0 426.546 2.574 50 0 IFAARN CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl)C(=O)N1CCOCC1 ZINC000002927497 569425932 /nfs/dbraw/zinc/42/59/32/569425932.db2.gz USRXFZUOQWCZRX-HNNXBMFYSA-N 0 0 446.964 2.919 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000002939840 569426473 /nfs/dbraw/zinc/42/64/73/569426473.db2.gz KWQRHKWBPSRSIJ-UHFFFAOYSA-N 0 0 430.860 2.774 50 0 IFAARN COc1cc2c(cc1OC)n(CC(=O)NC[C@@H](C)c1ccccc1)n1c2nc(=O)cc1C ZINC000002948074 569427184 /nfs/dbraw/zinc/42/71/84/569427184.db2.gz JZPDTABVNUMMHX-OAHLLOKOSA-N 0 0 434.496 2.895 50 0 IFAARN Cc1ccc(N2C[C@@H](NC(=O)NCCN3CCN(c4ccccc4)CC3)CC2=O)cc1C ZINC000056925356 569427655 /nfs/dbraw/zinc/42/76/55/569427655.db2.gz CNXNFFOVJRBNKE-NRFANRHFSA-N 0 0 435.572 2.530 50 0 IFAARN CCCCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000056945720 569428116 /nfs/dbraw/zinc/42/81/16/569428116.db2.gz CJIMUBCATDWCFJ-FQEVSTJZSA-N 0 0 430.524 2.705 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1 ZINC000226752980 569429281 /nfs/dbraw/zinc/42/92/81/569429281.db2.gz IHXXUYLRKPHNLJ-UHFFFAOYSA-N 0 0 431.539 2.760 50 0 IFAARN CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000029285473 569429395 /nfs/dbraw/zinc/42/93/95/569429395.db2.gz NADQLXRJFJSOCO-UHFFFAOYSA-N 0 0 442.459 2.947 50 0 IFAARN COc1ccccc1N1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000057293247 569430493 /nfs/dbraw/zinc/43/04/93/569430493.db2.gz NRFBMZKVGCAWRC-FQEVSTJZSA-N 0 0 437.540 2.952 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1)Nc1ccc(F)cc1 ZINC000057364757 569432234 /nfs/dbraw/zinc/43/22/34/569432234.db2.gz JOXCKAYTUWGXLN-QFIPXVFZSA-N 0 0 441.503 2.780 50 0 IFAARN CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)OCC)N2C1=O ZINC000002967022 569433050 /nfs/dbraw/zinc/43/30/50/569433050.db2.gz GHMJTSHBYZFPHM-INIZCTEOSA-N 0 0 430.530 2.638 50 0 IFAARN CC(=O)[C@H](C)n1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000057392150 569433340 /nfs/dbraw/zinc/43/33/40/569433340.db2.gz VWKIXXLRTVYOGF-KRWDZBQOSA-N 0 0 445.523 2.776 50 0 IFAARN COC(=O)C1C(CN2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414247 569433780 /nfs/dbraw/zinc/43/37/80/569433780.db2.gz QLSPSGQQTDMGHL-HSZRJFAPSA-N 0 0 434.540 2.907 50 0 IFAARN CCOC(=O)C1C(CN2CCN(c3ccccc3C)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057414405 569433826 /nfs/dbraw/zinc/43/38/26/569433826.db2.gz FWPSTFFICYRFMH-QHCPKHFHSA-N 0 0 434.540 2.988 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415595 569434099 /nfs/dbraw/zinc/43/40/99/569434099.db2.gz SSJZFFHPNQFWFT-JOCHJYFZSA-N 0 0 438.503 2.737 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415592 569434135 /nfs/dbraw/zinc/43/41/35/569434135.db2.gz SSJZFFHPNQFWFT-QFIPXVFZSA-N 0 0 438.503 2.737 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000057416046 569434161 /nfs/dbraw/zinc/43/41/61/569434161.db2.gz UBSZEGGYLIFLGX-HXUWFJFHSA-N 0 0 426.542 2.660 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCC(C)C)c2=O)c(OC)c1 ZINC000057426618 569434611 /nfs/dbraw/zinc/43/46/11/569434611.db2.gz QMDATCOJIMHKPF-UHFFFAOYSA-N 0 0 431.514 2.927 50 0 IFAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NC3CCCCC3)c2=O)c1 ZINC000057426802 569434649 /nfs/dbraw/zinc/43/46/49/569434649.db2.gz YIZZNMXOUPIOMY-UHFFFAOYSA-N 0 0 427.526 2.731 50 0 IFAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccccc2F)c1=O)NCc1ccc(F)cc1 ZINC000057426765 569434669 /nfs/dbraw/zinc/43/46/69/569434669.db2.gz DHVWNIZDTYZIMT-UHFFFAOYSA-N 0 0 441.459 2.868 50 0 IFAARN CCCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000057427259 569434783 /nfs/dbraw/zinc/43/47/83/569434783.db2.gz YAJZTEXJXCYUON-UHFFFAOYSA-N 0 0 444.532 2.513 50 0 IFAARN Cc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O ZINC000057428181 569434860 /nfs/dbraw/zinc/43/48/60/569434860.db2.gz XWUAQQWMASFCLS-UHFFFAOYSA-N 0 0 449.488 2.949 50 0 IFAARN Cc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc4c(c3)OCO4)c2=O)c1 ZINC000057428183 569434866 /nfs/dbraw/zinc/43/48/66/569434866.db2.gz SJUABBHMHBKGIU-UHFFFAOYSA-N 0 0 449.488 2.949 50 0 IFAARN COc1ccc(CCNC(=O)Cn2c(=O)cc(C)nc2-c2ccc(F)cc2)cc1OC ZINC000057477907 569435780 /nfs/dbraw/zinc/43/57/80/569435780.db2.gz HOFWSMIQGCTOGE-UHFFFAOYSA-N 0 0 425.460 2.734 50 0 IFAARN CCCn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2Br)c1=O ZINC000057485870 569436310 /nfs/dbraw/zinc/43/63/10/569436310.db2.gz RKUCJPHORRHACL-UHFFFAOYSA-N 0 0 436.331 2.714 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CC(C)C)c2=O)cc1 ZINC000057486026 569436396 /nfs/dbraw/zinc/43/63/96/569436396.db2.gz ADBABYSASWFPJK-UHFFFAOYSA-N 0 0 429.498 2.696 50 0 IFAARN Cc1cc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3Cl)c2=O)no1 ZINC000057486430 569436465 /nfs/dbraw/zinc/43/64/65/569436465.db2.gz FPRWKWSNJXQFJM-UHFFFAOYSA-N 0 0 430.873 2.862 50 0 IFAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)c1 ZINC000057490168 569437136 /nfs/dbraw/zinc/43/71/36/569437136.db2.gz HIZXJYVDKBQJCW-UHFFFAOYSA-N 0 0 435.461 2.890 50 0 IFAARN COc1cccc(CNC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3)c2=O)c1 ZINC000057490162 569437142 /nfs/dbraw/zinc/43/71/42/569437142.db2.gz KXTXFHOLEQMBIB-UHFFFAOYSA-N 0 0 435.505 2.847 50 0 IFAARN Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5CCCC[C@@H]5C)nc34)n2)cc1 ZINC000057503536 569438106 /nfs/dbraw/zinc/43/81/06/569438106.db2.gz ROVCIKQUJFUXPT-INIZCTEOSA-N 0 0 432.484 2.922 50 0 IFAARN O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)N1CCCCC1 ZINC000057504740 569438187 /nfs/dbraw/zinc/43/81/87/569438187.db2.gz DDVMECYKMXMYNY-UHFFFAOYSA-N 0 0 427.482 2.871 50 0 IFAARN CCc1cc(=O)n(CC(=O)NCc2ccc(OC)c(OC)c2)c(-c2ccc(F)cc2)n1 ZINC000057508816 569438360 /nfs/dbraw/zinc/43/83/60/569438360.db2.gz XSOLKXKSICRTCF-UHFFFAOYSA-N 0 0 425.460 2.945 50 0 IFAARN O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1ccc2c(c1)CCC2 ZINC000057520382 569438773 /nfs/dbraw/zinc/43/87/73/569438773.db2.gz CIAAFSYJWLYZHV-UHFFFAOYSA-N 0 0 434.525 2.774 50 0 IFAARN CCCc1nnc2c(=O)n(CC(=O)Nc3ccc(C(=O)OCC)cc3)c3ccccc3n12 ZINC000057522663 569438983 /nfs/dbraw/zinc/43/89/83/569438983.db2.gz GOVYOZFROTVJQI-UHFFFAOYSA-N 0 0 433.468 2.812 50 0 IFAARN CCOC(=O)c1cnn(-c2cc(SCC(=O)Nc3ccc(OC)cc3)ncn2)c1C ZINC000057522900 569439075 /nfs/dbraw/zinc/43/90/75/569439075.db2.gz SAMPPWGGCPRPMA-UHFFFAOYSA-N 0 0 427.486 2.887 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(CCC(C)C)c2=O)c1 ZINC000057525909 569439101 /nfs/dbraw/zinc/43/91/01/569439101.db2.gz FBXYMMBFBLIEBM-UHFFFAOYSA-N 0 0 425.485 2.865 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@H]1CC ZINC000057585937 569439981 /nfs/dbraw/zinc/43/99/81/569439981.db2.gz AYRZSPSDYXEGOS-FUHWJXTLSA-N 0 0 429.517 2.893 50 0 IFAARN CCCOc1ccc(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1OC ZINC000057593676 569440075 /nfs/dbraw/zinc/44/00/75/569440075.db2.gz KAEFXCLKEMKHKV-UHFFFAOYSA-N 0 0 436.512 2.679 50 0 IFAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)N1CCCc2cccc(F)c21 ZINC000057628700 569440390 /nfs/dbraw/zinc/44/03/90/569440390.db2.gz WZCCIVNIHBQBEM-UHFFFAOYSA-N 0 0 434.537 2.899 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN(C(=O)C2CC2)CC1 ZINC000057728171 569441046 /nfs/dbraw/zinc/44/10/46/569441046.db2.gz ZLZOEZYQUHDYBR-UHFFFAOYSA-N 0 0 426.439 2.628 50 0 IFAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc2c(c1)NC(=O)CO2 ZINC000003222810 569442005 /nfs/dbraw/zinc/44/20/05/569442005.db2.gz IYJWMDVIEZSNBQ-UHFFFAOYSA-N 0 0 441.443 2.696 50 0 IFAARN COc1ccc(C(=O)c2sc3c(c2N)c(=O)n(C)c(=O)n3-c2ccccc2)cc1OC ZINC000003226883 569442214 /nfs/dbraw/zinc/44/22/14/569442214.db2.gz YIXSSIHNTZFTJC-UHFFFAOYSA-N 0 0 437.477 2.581 50 0 IFAARN CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)nc1 ZINC000030437402 569442275 /nfs/dbraw/zinc/44/22/75/569442275.db2.gz ORRUBTSUGABCNS-UHFFFAOYSA-N 0 0 432.318 2.912 50 0 IFAARN Cc1c(NC(=O)[C@H](C)OC(=O)[C@@]2(C)CC2(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000003253284 569442999 /nfs/dbraw/zinc/44/29/99/569442999.db2.gz GUCZUGHFTACTDK-KPZWWZAWSA-N 0 0 426.300 2.939 50 0 IFAARN Cn1cccc1C(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000003259151 569443118 /nfs/dbraw/zinc/44/31/18/569443118.db2.gz GGRFRAIBDZKHHM-UHFFFAOYSA-N 0 0 436.468 2.912 50 0 IFAARN CCCN(CC(=O)NC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1nc2ccsc2c(=O)[nH]1 ZINC000057940770 569443180 /nfs/dbraw/zinc/44/31/80/569443180.db2.gz XLJQXOVDFNNFNI-SOUVJXGZSA-N 0 0 433.578 2.847 50 0 IFAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)Nc1ccc(I)cc1 ZINC000003265287 569443354 /nfs/dbraw/zinc/44/33/54/569443354.db2.gz QDCVMWAYUXRITF-UHFFFAOYSA-N 0 0 448.216 2.928 50 0 IFAARN Cn1c2ccccc2n(CCC(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1=O ZINC000030566136 569443828 /nfs/dbraw/zinc/44/38/28/569443828.db2.gz DSZCHWYRDREVRY-UHFFFAOYSA-N 0 0 442.947 2.607 50 0 IFAARN O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000030573564 569443993 /nfs/dbraw/zinc/44/39/93/569443993.db2.gz XZBBJFHLFQFECB-KRWDZBQOSA-N 0 0 426.542 2.713 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)OCc1nc2ccccc2s1 ZINC000003289139 569444257 /nfs/dbraw/zinc/44/42/57/569444257.db2.gz WGUXKPKKUQFRGG-UHFFFAOYSA-N 0 0 438.552 2.665 50 0 IFAARN COc1ccccc1NC(=O)COC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O ZINC000003290505 569444360 /nfs/dbraw/zinc/44/43/60/569444360.db2.gz OTAKXXJRPHPSGT-QGZVFWFLSA-N 0 0 442.493 2.595 50 0 IFAARN O=C(COC(=O)Cn1nnc(-c2ccccc2)n1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000003306123 569445231 /nfs/dbraw/zinc/44/52/31/569445231.db2.gz WTOITYXSIVVDPD-UHFFFAOYSA-N 0 0 438.444 2.785 50 0 IFAARN COc1ccccc1N(Cn1nnc2ccccc2c1=O)S(=O)(=O)c1cccs1 ZINC000003312434 569445542 /nfs/dbraw/zinc/44/55/42/569445542.db2.gz RZCUYNBCFSRBRC-UHFFFAOYSA-N 0 0 428.495 2.715 50 0 IFAARN O=C(COC(=O)CNC(=O)c1cccc(OC(F)F)c1)NCc1ccc(Cl)cc1 ZINC000003316425 569445758 /nfs/dbraw/zinc/44/57/58/569445758.db2.gz ALLRZSYRRMXSAY-UHFFFAOYSA-N 0 0 426.803 2.531 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc(Br)o1)CCCC2 ZINC000003317777 569445813 /nfs/dbraw/zinc/44/58/13/569445813.db2.gz YOHYXABLSRDYCS-UHFFFAOYSA-N 0 0 427.276 2.877 50 0 IFAARN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000058046644 569445919 /nfs/dbraw/zinc/44/59/19/569445919.db2.gz OXDVVOLFOOVOMM-JKSUJKDBSA-N 0 0 447.557 2.553 50 0 IFAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(I)cc1)C2=O ZINC000003320809 569445964 /nfs/dbraw/zinc/44/59/64/569445964.db2.gz QODHINQOORTELR-GTNSWQLSSA-N 0 0 441.269 2.730 50 0 IFAARN Nc1nnc(SCC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000003344008 569447064 /nfs/dbraw/zinc/44/70/64/569447064.db2.gz VVHCYZKFRIXOMD-UHFFFAOYSA-N 0 0 429.483 2.832 50 0 IFAARN CSCC[C@@H](C(=O)OCC(=O)Nc1ccccc1C)N1C(=O)c2ccccc2C1=O ZINC000003347187 569447161 /nfs/dbraw/zinc/44/71/61/569447161.db2.gz WIMKRSOTKURNNO-SFHVURJKSA-N 0 0 426.494 2.895 50 0 IFAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003348727 569447269 /nfs/dbraw/zinc/44/72/69/569447269.db2.gz ZDKZRDGENKFAGE-UHFFFAOYSA-N 0 0 440.468 2.581 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)NCc1ccc(F)cc1 ZINC000003372732 569448547 /nfs/dbraw/zinc/44/85/47/569448547.db2.gz LUBSLTVVRKFKCK-UHFFFAOYSA-N 0 0 436.395 2.688 50 0 IFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000003374846 569448637 /nfs/dbraw/zinc/44/86/37/569448637.db2.gz LAGZYYIXLMIOAP-LJQANCHMSA-N 0 0 426.494 2.817 50 0 IFAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NCCN1CCCS1(=O)=O ZINC000058151532 569448903 /nfs/dbraw/zinc/44/89/03/569448903.db2.gz WHGPIRVWSAQJIZ-OUKQBFOZSA-N 0 0 436.537 2.704 50 0 IFAARN COc1ccc(CNC(=O)COC(=O)c2ccccc2I)cc1 ZINC000003391601 569449327 /nfs/dbraw/zinc/44/93/27/569449327.db2.gz ADOXZAYBUJPCCE-UHFFFAOYSA-N 0 0 425.222 2.773 50 0 IFAARN Cc1cc(CNC(=O)COC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc(C)c1O ZINC000003401280 569449767 /nfs/dbraw/zinc/44/97/67/569449767.db2.gz HVSZNNXWBOQIKI-UHFFFAOYSA-N 0 0 438.402 2.617 50 0 IFAARN COc1ccc(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c(OC)c1OC ZINC000003403522 569449826 /nfs/dbraw/zinc/44/98/26/569449826.db2.gz KCXUJNLZPBKVBO-UHFFFAOYSA-N 0 0 425.445 2.889 50 0 IFAARN NC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cccs2)cc1 ZINC000003403725 569449844 /nfs/dbraw/zinc/44/98/44/569449844.db2.gz NCFGVWMFVPZYLF-UHFFFAOYSA-N 0 0 429.523 2.677 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000003413499 569450175 /nfs/dbraw/zinc/45/01/75/569450175.db2.gz DAKKODBFQPCNSV-UHFFFAOYSA-N 0 0 431.514 2.561 50 0 IFAARN Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000003437122 569451069 /nfs/dbraw/zinc/45/10/69/569451069.db2.gz CXLOENIOGQAKRQ-UHFFFAOYSA-N 0 0 430.526 2.643 50 0 IFAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)c1ccc2c(c1)OCO2 ZINC000003436812 569451074 /nfs/dbraw/zinc/45/10/74/569451074.db2.gz FDFTWZHNGYVLHZ-UHFFFAOYSA-N 0 0 433.438 2.960 50 0 IFAARN CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000003459088 569451859 /nfs/dbraw/zinc/45/18/59/569451859.db2.gz IUTICRCKDRTXFJ-UHFFFAOYSA-N 0 0 441.475 2.918 50 0 IFAARN COc1cc(Cl)c(C)cc1-n1c(SCC(=O)NC(N)=O)nc2ccccc2c1=O ZINC000003489943 569452428 /nfs/dbraw/zinc/45/24/28/569452428.db2.gz KSDOPGSSVQXFKM-UHFFFAOYSA-N 0 0 432.889 2.643 50 0 IFAARN Cc1cc(OCC(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl ZINC000003487483 569452463 /nfs/dbraw/zinc/45/24/63/569452463.db2.gz SKWKDLMSOKZWIW-UHFFFAOYSA-N 0 0 434.832 2.690 50 0 IFAARN COc1cccc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)n2C)c1 ZINC000003495625 569452661 /nfs/dbraw/zinc/45/26/61/569452661.db2.gz BQZCLGAOCRUXSG-UHFFFAOYSA-N 0 0 443.504 2.819 50 0 IFAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000031034434 569452757 /nfs/dbraw/zinc/45/27/57/569452757.db2.gz KUIUWAZJMHGGCT-IBGZPJMESA-N 0 0 433.455 2.733 50 0 IFAARN O=C(NCCNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)c1ccco1 ZINC000031052006 569452984 /nfs/dbraw/zinc/45/29/84/569452984.db2.gz NOFYLBLRQAKFQP-UHFFFAOYSA-N 0 0 425.466 2.757 50 0 IFAARN O=C(OCc1cc(=O)n2ccsc2n1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000003543089 569453664 /nfs/dbraw/zinc/45/36/64/569453664.db2.gz RWGPWVUFFOGVDE-UHFFFAOYSA-N 0 0 430.445 2.812 50 0 IFAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)N1CCc2ccccc21 ZINC000003544695 569453668 /nfs/dbraw/zinc/45/36/68/569453668.db2.gz FTVXREYPQXZENB-QGZVFWFLSA-N 0 0 442.537 2.996 50 0 IFAARN C[C@@H](NC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc2c(c1)OCCO2 ZINC000031127784 569453843 /nfs/dbraw/zinc/45/38/43/569453843.db2.gz CBRMCVVELFZARQ-IXDOHACOSA-N 0 0 431.533 2.576 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O ZINC000003593752 569454637 /nfs/dbraw/zinc/45/46/37/569454637.db2.gz BKWNBJQCGIVVKK-OAQYLSRUSA-N 0 0 429.860 2.922 50 0 IFAARN COC(=O)c1cc(NC(=O)CSc2nnc3[nH]c4ccccc4n32)cc(C(=O)OC)c1 ZINC000003599126 569454760 /nfs/dbraw/zinc/45/47/60/569454760.db2.gz VSYFVCUQVIEGTP-UHFFFAOYSA-N 0 0 439.453 2.515 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(=O)n(CCOc3ccccc3)n1)CC2 ZINC000031239143 569455042 /nfs/dbraw/zinc/45/50/42/569455042.db2.gz VIEJGHYSRAQASO-UHFFFAOYSA-N 0 0 435.480 2.538 50 0 IFAARN O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccc(N2CCCC2)nc1 ZINC000031313355 569455735 /nfs/dbraw/zinc/45/57/35/569455735.db2.gz HEAPWVYQWLUCIU-UHFFFAOYSA-N 0 0 431.334 2.881 50 0 IFAARN COc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)c1 ZINC000031357958 569456132 /nfs/dbraw/zinc/45/61/32/569456132.db2.gz YUNKFJLMUODPJY-UHFFFAOYSA-N 0 0 437.949 2.561 50 0 IFAARN CCOc1ccccc1-n1c(N)c2c(C)nnc-2nc1SCC(=O)NCc1ccco1 ZINC000003853839 569456661 /nfs/dbraw/zinc/45/66/61/569456661.db2.gz QMROZZPRLLAMRI-UHFFFAOYSA-N 0 0 438.513 2.937 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CN1CCC[C@H]1C(=O)NCc1ccco1)CCCC2 ZINC000031557684 569456741 /nfs/dbraw/zinc/45/67/41/569456741.db2.gz OEJNUCKFCGRSGC-INIZCTEOSA-N 0 0 445.541 2.726 50 0 IFAARN CCOc1ccccc1C(=O)NCC(=O)NCC[C@](O)(c1ccc(C)o1)C(F)(F)F ZINC000031570553 569456817 /nfs/dbraw/zinc/45/68/17/569456817.db2.gz XVNLGPVNCHEGTM-IBGZPJMESA-N 0 0 428.407 2.673 50 0 IFAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(C)nn3-c3ccccc3)C2=O)cc1 ZINC000031634471 569456914 /nfs/dbraw/zinc/45/69/14/569456914.db2.gz NZJFWXVOYRMFKC-QHCPKHFHSA-N 0 0 433.468 2.595 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1ccc(N2CCCC2)nc1 ZINC000031632855 569456936 /nfs/dbraw/zinc/45/69/36/569456936.db2.gz XJLKMRMXVGDZMP-UHFFFAOYSA-N 0 0 428.558 2.868 50 0 IFAARN COC(=O)c1ccc(NC(=O)CN2C(=O)COc3cc(Br)ccc32)s1 ZINC000031747890 569457157 /nfs/dbraw/zinc/45/71/57/569457157.db2.gz HYUXCZHCLATYAX-UHFFFAOYSA-N 0 0 425.260 2.661 50 0 IFAARN CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1)C(=O)NCCOC ZINC000003959589 569457239 /nfs/dbraw/zinc/45/72/39/569457239.db2.gz ASVPQSHYNCOHST-CQSZACIVSA-N 0 0 434.953 2.823 50 0 IFAARN COc1ccc(N2C(=O)CN(Cc3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000031773809 569457355 /nfs/dbraw/zinc/45/73/55/569457355.db2.gz ZYNWVQNEKTZXMF-RBUKOAKNSA-N 0 0 434.945 2.671 50 0 IFAARN COc1c(C)cnc(CN2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4ccc(CO)cc43)CC2)c1C ZINC000031808530 569457591 /nfs/dbraw/zinc/45/75/91/569457591.db2.gz ZUTKFESAYLGWIX-JOCHJYFZSA-N 0 0 438.528 2.624 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000031819999 569458033 /nfs/dbraw/zinc/45/80/33/569458033.db2.gz WYSKDSWBLMZQJN-SZPZYZBQSA-N 0 0 429.520 2.817 50 0 IFAARN O=C(NCCCCCCNC(=O)NC[C@H](O)c1ccccc1)NC[C@H](O)c1ccccc1 ZINC000004017858 569458162 /nfs/dbraw/zinc/45/81/62/569458162.db2.gz OIYRMNRLJKXYSD-VXKWHMMOSA-N 0 0 442.560 2.612 50 0 IFAARN NC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)ccc1F ZINC000031987791 569458647 /nfs/dbraw/zinc/45/86/47/569458647.db2.gz LYXNREUKVILUCU-FQEVSTJZSA-N 0 0 431.423 2.771 50 0 IFAARN O=C(Nc1ccccn1)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000032069978 569459200 /nfs/dbraw/zinc/45/92/00/569459200.db2.gz JHHINUWMMFIMHB-PZJWPPBQSA-N 0 0 428.492 2.801 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3)c2=O)c1 ZINC000032071438 569459211 /nfs/dbraw/zinc/45/92/11/569459211.db2.gz IPNZCAWSSCWQJW-UHFFFAOYSA-N 0 0 437.477 2.870 50 0 IFAARN CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000032074430 569459364 /nfs/dbraw/zinc/45/93/64/569459364.db2.gz JSVUIPDDWUUMSU-GMXABZIVSA-N 0 0 436.361 2.833 50 0 IFAARN CCCCc1ccc(NC(=O)C[C@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000032094868 569459813 /nfs/dbraw/zinc/45/98/13/569459813.db2.gz WDJPLZIKXOBQAE-FQEVSTJZSA-N 0 0 429.542 2.547 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc(Br)cc2F)CC1)N1CCc2ccccc21 ZINC000059419247 569461348 /nfs/dbraw/zinc/46/13/48/569461348.db2.gz VHDVDZMELOKJJM-UHFFFAOYSA-N 0 0 446.320 2.935 50 0 IFAARN O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000032397904 569461547 /nfs/dbraw/zinc/46/15/47/569461547.db2.gz MFYAOCRIXAWFMU-HXUWFJFHSA-N 0 0 447.582 2.530 50 0 IFAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1C ZINC000008133058 569462292 /nfs/dbraw/zinc/46/22/92/569462292.db2.gz ABKNJUYHOXECBU-CMJOXMDJSA-N 0 0 425.485 2.725 50 0 IFAARN COc1ccccc1-c1noc(Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)n1 ZINC000038486663 569462783 /nfs/dbraw/zinc/46/27/83/569462783.db2.gz JACIBTROBSXSDK-UHFFFAOYSA-N 0 0 449.858 2.797 50 0 IFAARN CCOc1ccccc1-c1noc(Cn2cnc3c(nnn3-c3ccc(F)cc3)c2=O)n1 ZINC000038486680 569462800 /nfs/dbraw/zinc/46/28/00/569462800.db2.gz QGHUDSRLWILUFF-UHFFFAOYSA-N 0 0 433.403 2.613 50 0 IFAARN Cc1noc(C)c1CCC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 ZINC000038488088 569462956 /nfs/dbraw/zinc/46/29/56/569462956.db2.gz CSZNQWCGWAOJMD-UHFFFAOYSA-N 0 0 435.484 2.759 50 0 IFAARN CS(=O)(=O)Nc1cccc(NC(=O)C2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000038489481 569463056 /nfs/dbraw/zinc/46/30/56/569463056.db2.gz KAFGLSSBLIVEGP-UHFFFAOYSA-N 0 0 427.530 2.785 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)ncn3n2)cc1 ZINC000067208900 569464736 /nfs/dbraw/zinc/46/47/36/569464736.db2.gz HUIAUENMVJEUDU-UHFFFAOYSA-N 0 0 431.452 2.530 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)c(OC)c4)ncn3n2)cc1 ZINC000067208851 569464738 /nfs/dbraw/zinc/46/47/38/569464738.db2.gz LVNSCKILDONPLH-UHFFFAOYSA-N 0 0 433.468 2.776 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)cc1OC ZINC000067226221 569465302 /nfs/dbraw/zinc/46/53/02/569465302.db2.gz GSPLFDAXPDVAQR-CYBMUJFWSA-N 0 0 443.529 2.745 50 0 IFAARN COc1ccc(NC(=O)c2nnn(Cc3cccc(Br)c3)c2N)cc1OC ZINC000067240130 569465703 /nfs/dbraw/zinc/46/57/03/569465703.db2.gz NPOHCTXZPKDEJK-UHFFFAOYSA-N 0 0 432.278 2.941 50 0 IFAARN COc1ccccc1-n1ccn(CC(=O)Nc2ccc(Br)c(C)c2)c(=O)c1=O ZINC000067256496 569466085 /nfs/dbraw/zinc/46/60/85/569466085.db2.gz MWEKVUUBMBJLAL-UHFFFAOYSA-N 0 0 444.285 2.717 50 0 IFAARN COc1cccc(N2C[C@@H](C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3C)CC2=O)c1 ZINC000038677582 569466602 /nfs/dbraw/zinc/46/66/02/569466602.db2.gz RFEDMZVRXDYSLK-INIZCTEOSA-N 0 0 443.525 2.535 50 0 IFAARN COc1cccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2-c2ccncc2)c1 ZINC000067261763 569466655 /nfs/dbraw/zinc/46/66/55/569466655.db2.gz WLRAOEAIAVYQAB-UHFFFAOYSA-N 0 0 429.436 2.997 50 0 IFAARN CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000067284181 569466808 /nfs/dbraw/zinc/46/68/08/569466808.db2.gz YRMMJIYIPNRRCJ-UHFFFAOYSA-N 0 0 434.500 2.797 50 0 IFAARN COc1ccc(CNC(=O)CN2C3=C(C(=O)OC3)[C@H](c3cc(C)ccc3C)NC2=O)cc1 ZINC000067288829 569467495 /nfs/dbraw/zinc/46/74/95/569467495.db2.gz KCDFRMSTYYUVHO-QFIPXVFZSA-N 0 0 435.480 2.506 50 0 IFAARN CCCCNC(=O)Cn1nc2c3cc(-c4ccc(OCCCC)cc4)nn3ccn2c1=O ZINC000067290614 569467681 /nfs/dbraw/zinc/46/76/81/569467681.db2.gz VLZITEGAVRNJDJ-UHFFFAOYSA-N 0 0 436.516 2.906 50 0 IFAARN CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccccc3C(=O)OCC)[n-]c(=O)c2C1 ZINC000067291763 569467739 /nfs/dbraw/zinc/46/77/39/569467739.db2.gz DLDVRGWSPRCWCK-UHFFFAOYSA-N 0 0 430.530 2.858 50 0 IFAARN Cc1nc(-c2ccc(F)cc2)n(CC(=O)NCCc2ccc(Cl)cc2)c(=O)c1CCO ZINC000067300995 569468257 /nfs/dbraw/zinc/46/82/57/569468257.db2.gz HYXDJHOSYRSXET-UHFFFAOYSA-N 0 0 443.906 2.905 50 0 IFAARN COc1ccc([C@@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(F)c2)cc1 ZINC000067316934 569468467 /nfs/dbraw/zinc/46/84/67/569468467.db2.gz MAISMTIREYOLQO-OAHLLOKOSA-N 0 0 439.487 2.779 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3Cl)c2C)cc1 ZINC000067322751 569468709 /nfs/dbraw/zinc/46/87/09/569468709.db2.gz DACOROUENLFWLK-UHFFFAOYSA-N 0 0 427.848 2.918 50 0 IFAARN CC[C@H](C)NC(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000067338449 569468991 /nfs/dbraw/zinc/46/89/91/569468991.db2.gz SXNTUTQLUKXPAC-KRWDZBQOSA-N 0 0 447.605 2.559 50 0 IFAARN O=C(Cn1c2c(-c3ccccn3)nsc2c(=O)n(C2CC2)c1=O)Nc1ccc(F)cc1 ZINC000067350270 569469048 /nfs/dbraw/zinc/46/90/48/569469048.db2.gz UMSBBTSQEDPKSH-UHFFFAOYSA-N 0 0 437.456 2.794 50 0 IFAARN COc1nn(C)cc1C(=O)N(CCN1CCOCC1)c1nc2c(cc(Cl)cc2C)s1 ZINC000038837683 569469247 /nfs/dbraw/zinc/46/92/47/569469247.db2.gz DJSLLEKUXRRELM-UHFFFAOYSA-N 0 0 449.964 2.979 50 0 IFAARN COc1ccc(CCNC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000038848966 569469259 /nfs/dbraw/zinc/46/92/59/569469259.db2.gz VAVSMDIPHIXYRF-LJQANCHMSA-N 0 0 438.933 2.625 50 0 IFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1cccs1 ZINC000008622944 569469502 /nfs/dbraw/zinc/46/95/02/569469502.db2.gz SFBGHANYRHUWLH-GSPCDJLXSA-N 0 0 446.575 2.548 50 0 IFAARN O=C(CNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(F)c(F)c1F ZINC000008631786 569469521 /nfs/dbraw/zinc/46/95/21/569469521.db2.gz IYBOCPQNENDLHK-UHFFFAOYSA-N 0 0 441.715 2.693 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)Nn1c(=O)c2ccccc2nc1-c1ccc(F)cc1 ZINC000008660832 569469743 /nfs/dbraw/zinc/46/97/43/569469743.db2.gz BHLZBRDHRVKERC-UHFFFAOYSA-N 0 0 442.406 2.569 50 0 IFAARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2Cc1cc(=O)n2ccccc2n1 ZINC000008661424 569469806 /nfs/dbraw/zinc/46/98/06/569469806.db2.gz TYWAZHYQNUNMNJ-UHFFFAOYSA-N 0 0 444.516 2.946 50 0 IFAARN Cc1ccc(CN(Cc2ccco2)C(=S)NCC(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000008661965 569469903 /nfs/dbraw/zinc/46/99/03/569469903.db2.gz OGLCZMNIPPXJCY-UHFFFAOYSA-N 0 0 443.569 2.830 50 0 IFAARN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O)Nc1ccc(F)cc1 ZINC000008663635 569470011 /nfs/dbraw/zinc/47/00/11/569470011.db2.gz MQXJLWKUCSPXST-WJDWOHSUSA-N 0 0 431.445 2.930 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000008705122 569470327 /nfs/dbraw/zinc/47/03/27/569470327.db2.gz HKXVMUDTGLWCOB-UHFFFAOYSA-N 0 0 445.570 2.865 50 0 IFAARN COc1cc2nc(Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)[nH]c(=O)c2cc1OC ZINC000008704866 569470335 /nfs/dbraw/zinc/47/03/35/569470335.db2.gz VBWBDNRWPOOCBC-UHFFFAOYSA-N 0 0 432.362 2.661 50 0 IFAARN C[C@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000008709137 569470725 /nfs/dbraw/zinc/47/07/25/569470725.db2.gz GKIHHKKQLCOTHL-GWCFXTLKSA-N 0 0 444.376 2.623 50 0 IFAARN Cc1c(C(=O)OCCc2ccccc2)sc2ncn(CC(=O)N3CCCC3)c(=O)c12 ZINC000008717839 569471184 /nfs/dbraw/zinc/47/11/84/569471184.db2.gz OPKONFOQTXZPGN-UHFFFAOYSA-N 0 0 425.510 2.788 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000008718465 569471335 /nfs/dbraw/zinc/47/13/35/569471335.db2.gz BPPUGTRXBVKAOE-AWEZNQCLSA-N 0 0 428.308 2.846 50 0 IFAARN Cc1cc(N)nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)n1 ZINC000008720884 569471704 /nfs/dbraw/zinc/47/17/04/569471704.db2.gz CGMAPIQNENLPGC-UHFFFAOYSA-N 0 0 441.966 2.536 50 0 IFAARN C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1nc(N)nc(N(C)C)n1 ZINC000008724611 569472022 /nfs/dbraw/zinc/47/20/22/569472022.db2.gz LPXUMDMGHPMZAC-GFCCVEGCSA-N 0 0 431.497 2.633 50 0 IFAARN C[C@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C1 ZINC000008724950 569472062 /nfs/dbraw/zinc/47/20/62/569472062.db2.gz GLJXLQLEJALZBK-GJZGRUSLSA-N 0 0 429.952 2.613 50 0 IFAARN CCCCn1cnc2c1c(=O)n(Cc1ccc3c(c1)OCO3)c(=O)n2Cc1ccccc1 ZINC000008725472 569472120 /nfs/dbraw/zinc/47/21/20/569472120.db2.gz UXTXKJRJIMMZOF-UHFFFAOYSA-N 0 0 432.480 2.985 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000008726661 569472323 /nfs/dbraw/zinc/47/23/23/569472323.db2.gz VQKMKHVRXPKMMK-UHFFFAOYSA-N 0 0 443.447 2.649 50 0 IFAARN COc1ccc(C(=O)N(C)Cc2ccc(Br)cc2)cc1S(=O)(=O)N(C)C ZINC000008750119 569473354 /nfs/dbraw/zinc/47/33/54/569473354.db2.gz WQEOXOGKTSNDKO-UHFFFAOYSA-N 0 0 441.347 2.980 50 0 IFAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 ZINC000008753432 569473701 /nfs/dbraw/zinc/47/37/01/569473701.db2.gz WMBRNBZZPWBXAM-RUZDIDTESA-N 0 0 448.523 2.891 50 0 IFAARN O=C1C(=O)N(Cc2ccccc2)C(=O)N1Cc1nnc(-c2ccccc2Br)o1 ZINC000008753495 569473741 /nfs/dbraw/zinc/47/37/41/569473741.db2.gz BKMUKTMEDKASBV-UHFFFAOYSA-N 0 0 441.241 2.990 50 0 IFAARN COc1ccc(Br)c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)c1 ZINC000008755316 569473963 /nfs/dbraw/zinc/47/39/63/569473963.db2.gz SHNWYTATRXHAEK-UHFFFAOYSA-N 0 0 443.319 2.969 50 0 IFAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)N1CCNC1=O ZINC000008759599 569474233 /nfs/dbraw/zinc/47/42/33/569474233.db2.gz NSEWKZVBMXWAJX-UHFFFAOYSA-N 0 0 432.864 2.822 50 0 IFAARN COc1cc2c(c3oc(=O)c(CCC(=O)NCCOC(C)=O)c(C)c13)CCC(C)(C)O2 ZINC000008765408 569474748 /nfs/dbraw/zinc/47/47/48/569474748.db2.gz NWGVSVXTKDQJFD-UHFFFAOYSA-N 0 0 431.485 2.826 50 0 IFAARN O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCOCC1)c1cccs1 ZINC000008770684 569475172 /nfs/dbraw/zinc/47/51/72/569475172.db2.gz JKLXJDNNTWMHRF-JZJYNLBNSA-N 0 0 434.930 2.862 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 ZINC000008772357 569475269 /nfs/dbraw/zinc/47/52/69/569475269.db2.gz WWIVNMYYXVGIMV-IVCQMTBJSA-N 0 0 433.508 2.972 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000008777250 569475381 /nfs/dbraw/zinc/47/53/81/569475381.db2.gz QGSDJYBRBXGXMK-QGZVFWFLSA-N 0 0 432.484 2.598 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000008777251 569475406 /nfs/dbraw/zinc/47/54/06/569475406.db2.gz QGSDJYBRBXGXMK-KRWDZBQOSA-N 0 0 432.484 2.598 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000039188185 569475594 /nfs/dbraw/zinc/47/55/94/569475594.db2.gz JHDPPQZTCODYGV-UHFFFAOYSA-N 0 0 430.526 2.595 50 0 IFAARN CCC(CC)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 ZINC000008779719 569475607 /nfs/dbraw/zinc/47/56/07/569475607.db2.gz DAJSMQXOYJOQSN-UHFFFAOYSA-N 0 0 436.622 2.988 50 0 IFAARN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O[N+](=O)[O-])CC[C@@]43C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000008789100 569475861 /nfs/dbraw/zinc/47/58/61/569475861.db2.gz RJAUVGPQRJIERL-NNNAONFXSA-N 0 0 433.501 2.999 50 0 IFAARN CCOCCCNC(=O)[C@H](C(C)C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789891 569475969 /nfs/dbraw/zinc/47/59/69/569475969.db2.gz CDEQZKAYFLILLN-CYFREDJKSA-N 0 0 440.544 2.771 50 0 IFAARN Cc1coc2cc3oc(=O)c(CC(=O)NCc4ccc(S(N)(=O)=O)cc4)c(C)c3cc12 ZINC000008790258 569476044 /nfs/dbraw/zinc/47/60/44/569476044.db2.gz OZZXACJSHLGVNR-UHFFFAOYSA-N 0 0 440.477 2.662 50 0 IFAARN O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000008791534 569476277 /nfs/dbraw/zinc/47/62/77/569476277.db2.gz UVRFNUIXRWDDPF-XYFIKHSYSA-N 0 0 435.505 2.531 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCc4ccccc4)c3c2)C1 ZINC000008811282 569476594 /nfs/dbraw/zinc/47/65/94/569476594.db2.gz ZYYFDYUSFWKNNG-MRXNPFEDSA-N 0 0 439.537 2.879 50 0 IFAARN Cc1cc(NC(=O)CSCC(=O)O[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)no1 ZINC000008825109 569477296 /nfs/dbraw/zinc/47/72/96/569477296.db2.gz UWIDKBFXYOXRDA-SNVBAGLBSA-N 0 0 436.515 2.874 50 0 IFAARN O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)NC(=O)NC1CCCCC1 ZINC000008825368 569477409 /nfs/dbraw/zinc/47/74/09/569477409.db2.gz XMLUDQMLOZBKOT-UHFFFAOYSA-N 0 0 449.935 2.894 50 0 IFAARN CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C1 ZINC000008840404 569478338 /nfs/dbraw/zinc/47/83/38/569478338.db2.gz UZTUTGQJOIOLDV-UHFFFAOYSA-N 0 0 444.962 2.857 50 0 IFAARN COc1ccc(OC)c(NC(=O)CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000008879587 569481338 /nfs/dbraw/zinc/48/13/38/569481338.db2.gz LNLOZBNGPYNYDD-UHFFFAOYSA-N 0 0 443.500 2.818 50 0 IFAARN CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000008879732 569481372 /nfs/dbraw/zinc/48/13/72/569481372.db2.gz CNUQQRPAWBVATM-FQEVSTJZSA-N 0 0 425.529 2.909 50 0 IFAARN COC(=O)C1CCN(C(=O)COc2cc3c(c4oc(=O)cc(C)c24)CCC(C)(C)O3)CC1 ZINC000008879671 569481398 /nfs/dbraw/zinc/48/13/98/569481398.db2.gz PTCUNTNDRJMBNI-UHFFFAOYSA-N 0 0 443.496 2.995 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)cc1)NCc1ccc(N2CCCC2=O)cc1 ZINC000039995627 569482372 /nfs/dbraw/zinc/48/23/72/569482372.db2.gz AJRUSRDOYOSZRJ-UHFFFAOYSA-N 0 0 430.302 2.622 50 0 IFAARN COc1ccc(N(CCC(N)=O)C(=O)CSc2n[nH]c(-c3ccccc3F)n2)cc1 ZINC000040012655 569482488 /nfs/dbraw/zinc/48/24/88/569482488.db2.gz YPPGTTDZRJROSS-UHFFFAOYSA-N 0 0 429.477 2.620 50 0 IFAARN CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000040005922 569482513 /nfs/dbraw/zinc/48/25/13/569482513.db2.gz YDZFMXJRHQNQAD-UHFFFAOYSA-N 0 0 427.448 2.894 50 0 IFAARN O=C(Cn1nnn(-c2cccs2)c1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000040024423 569482764 /nfs/dbraw/zinc/48/27/64/569482764.db2.gz WYZFTQYISJBDJJ-UHFFFAOYSA-N 0 0 438.435 2.748 50 0 IFAARN O=C(Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)Nc1ccccc1Oc1ccccc1 ZINC000008883049 569483011 /nfs/dbraw/zinc/48/30/11/569483011.db2.gz BYYLIACEDGFBQW-HXUWFJFHSA-N 0 0 425.416 2.889 50 0 IFAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000008884456 569483140 /nfs/dbraw/zinc/48/31/40/569483140.db2.gz UTVDBXQOSKZSRX-UHFFFAOYSA-N 0 0 433.839 2.567 50 0 IFAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)Cc2sc(=S)[nH]c2C)CC1 ZINC000040033896 569483237 /nfs/dbraw/zinc/48/32/37/569483237.db2.gz POGYATFEZORMEW-QGZVFWFLSA-N 0 0 439.990 2.995 50 0 IFAARN Cc1sc2nc(C)nc(SCCCn3c(=O)c4c(ncn4C)n(C)c3=O)c2c1C ZINC000008893570 569483548 /nfs/dbraw/zinc/48/35/48/569483548.db2.gz OMZOIQMXUWKADU-UHFFFAOYSA-N 0 0 430.559 2.546 50 0 IFAARN CC(C)c1ccc(-n2ccnc2SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)cc1 ZINC000008901017 569484272 /nfs/dbraw/zinc/48/42/72/569484272.db2.gz POVMVZDTNYLZNG-UHFFFAOYSA-N 0 0 425.514 2.738 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1C ZINC000008901368 569484304 /nfs/dbraw/zinc/48/43/04/569484304.db2.gz FMGPKODLPPPIFJ-UHFFFAOYSA-N 0 0 427.910 2.964 50 0 IFAARN O=C(Nc1cccc(CNC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)c1)C1CC1 ZINC000040052223 569484524 /nfs/dbraw/zinc/48/45/24/569484524.db2.gz CNARWEJYXLWHCE-UXHICEINSA-N 0 0 441.528 2.633 50 0 IFAARN COc1ccc(-n2nnc3c2ncn(CC(=O)c2ccc(Cl)cc2)c3=O)cc1OC ZINC000008903973 569484546 /nfs/dbraw/zinc/48/45/46/569484546.db2.gz LVSLAVIKZIGGQQ-UHFFFAOYSA-N 0 0 425.832 2.531 50 0 IFAARN CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccccc1Cl ZINC000040059961 569484787 /nfs/dbraw/zinc/48/47/87/569484787.db2.gz FMPSDZVVPDFSBV-UHFFFAOYSA-N 0 0 437.949 2.974 50 0 IFAARN COc1cccc(OCC(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CS(=O)(=O)C3)c1 ZINC000008910145 569484818 /nfs/dbraw/zinc/48/48/18/569484818.db2.gz XCNKAJHEDAMJAX-UHFFFAOYSA-N 0 0 447.900 2.980 50 0 IFAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c1OC ZINC000008911600 569484891 /nfs/dbraw/zinc/48/48/91/569484891.db2.gz QMDORWDUDYCLLJ-INIZCTEOSA-N 0 0 427.530 2.879 50 0 IFAARN COc1ccc(OC)c(CCNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c1 ZINC000008912625 569485054 /nfs/dbraw/zinc/48/50/54/569485054.db2.gz LVJXRCCOCCCZJG-QGZVFWFLSA-N 0 0 441.557 2.921 50 0 IFAARN COc1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)ccc1OC(F)F ZINC000040069118 569485299 /nfs/dbraw/zinc/48/52/99/569485299.db2.gz AKGJDSNMLJRBRT-INIZCTEOSA-N 0 0 440.468 2.766 50 0 IFAARN Cc1nc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nn1-c1ccc(F)cc1 ZINC000040072284 569485871 /nfs/dbraw/zinc/48/58/71/569485871.db2.gz GSLPBRPQCHXAPK-UHFFFAOYSA-N 0 0 426.427 2.844 50 0 IFAARN O=C(CSc1nc2ccccc2o1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000008920813 569486537 /nfs/dbraw/zinc/48/65/37/569486537.db2.gz MSCWYWXBECQRHA-UHFFFAOYSA-N 0 0 449.529 2.982 50 0 IFAARN CCN(CC(=O)NC(C)C)C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000040087373 569486730 /nfs/dbraw/zinc/48/67/30/569486730.db2.gz BRQAOHPTEZYQRZ-HNNXBMFYSA-N 0 0 425.476 2.513 50 0 IFAARN CC(C)C[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000008924860 569487208 /nfs/dbraw/zinc/48/72/08/569487208.db2.gz AMDKBGAYUPCYEF-QRWLVFNGSA-N 0 0 442.537 2.978 50 0 IFAARN Cn1c2nc(NCc3ccccc3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000008926237 569487260 /nfs/dbraw/zinc/48/72/60/569487260.db2.gz GDOPQLOPLMUMJN-UHFFFAOYSA-N 0 0 427.867 2.887 50 0 IFAARN C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000040094773 569487507 /nfs/dbraw/zinc/48/75/07/569487507.db2.gz NLRPAGAFRLNOFH-INIZCTEOSA-N 0 0 427.464 2.921 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cccc2c1CCCC2 ZINC000040098138 569487581 /nfs/dbraw/zinc/48/75/81/569487581.db2.gz AJDCGWNQFVYDPL-UHFFFAOYSA-N 0 0 435.571 2.970 50 0 IFAARN CSc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c1 ZINC000008936097 569488039 /nfs/dbraw/zinc/48/80/39/569488039.db2.gz JVFPEWOTTVWQIX-JOCHJYFZSA-N 0 0 441.509 2.976 50 0 IFAARN COc1ccc(CNC(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)cc1OC ZINC000008936320 569488069 /nfs/dbraw/zinc/48/80/69/569488069.db2.gz IEPYXTMGSLJVNH-UHFFFAOYSA-N 0 0 430.885 2.579 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000040105724 569488291 /nfs/dbraw/zinc/48/82/91/569488291.db2.gz PWWIQDQVINPIJR-UHFFFAOYSA-N 0 0 426.542 2.865 50 0 IFAARN O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000008938981 569488317 /nfs/dbraw/zinc/48/83/17/569488317.db2.gz KDPCVHOESUNZQV-GOSISDBHSA-N 0 0 430.526 2.821 50 0 IFAARN CSc1nc2c(cnn2CCNC(=O)/C=C\c2ccc3c(c2)OCO3)c(NC(C)C)n1 ZINC000008941630 569488614 /nfs/dbraw/zinc/48/86/14/569488614.db2.gz WDKJZBXVVKQUDW-ALCCZGGFSA-N 0 0 440.529 2.927 50 0 IFAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000008941852 569488653 /nfs/dbraw/zinc/48/86/53/569488653.db2.gz QRGJHJHHMZXROC-UHFFFAOYSA-N 0 0 444.944 2.981 50 0 IFAARN C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O ZINC000040116728 569489278 /nfs/dbraw/zinc/48/92/78/569489278.db2.gz JZZJTDFQZRZUMR-SFHVURJKSA-N 0 0 426.416 2.946 50 0 IFAARN CC(C)NC(=O)CN1CCCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000040118590 569489310 /nfs/dbraw/zinc/48/93/10/569489310.db2.gz RGBKHTPGNVGZDE-UHFFFAOYSA-N 0 0 446.555 2.607 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000040120652 569489534 /nfs/dbraw/zinc/48/95/34/569489534.db2.gz SZEIGNZKCCBBLY-KRWDZBQOSA-N 0 0 429.540 2.574 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1nc(N2CCOCC2)ncc1Cl ZINC000040123126 569489702 /nfs/dbraw/zinc/48/97/02/569489702.db2.gz YQZHNXLHKQDSHQ-UHFFFAOYSA-N 0 0 426.908 2.699 50 0 IFAARN Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)CC(=O)NCCCOC(C)C ZINC000040127562 569489771 /nfs/dbraw/zinc/48/97/71/569489771.db2.gz JJOSASZBYSCNAA-UHFFFAOYSA-N 0 0 427.954 2.680 50 0 IFAARN O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000008954931 569490086 /nfs/dbraw/zinc/49/00/86/569490086.db2.gz QLERLNBAJSVRCW-UHFFFAOYSA-N 0 0 429.445 2.969 50 0 IFAARN Cc1nc2c(s1)c(-c1ccccc1)nn(CC(=O)NCc1ccc3c(c1)OCO3)c2=O ZINC000008955021 569490135 /nfs/dbraw/zinc/49/01/35/569490135.db2.gz HOTRYEAJZPPUGB-UHFFFAOYSA-N 0 0 434.477 2.874 50 0 IFAARN Cc1nc2c(s1)c(-c1cccs1)nn(CC(=O)Nc1ccc(C(N)=O)cc1)c2=O ZINC000008956023 569490149 /nfs/dbraw/zinc/49/01/49/569490149.db2.gz IYJKDCYKMWEUNX-UHFFFAOYSA-N 0 0 425.495 2.628 50 0 IFAARN O=C(C1CCN(c2ncccn2)CC1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000040130636 569490292 /nfs/dbraw/zinc/49/02/92/569490292.db2.gz JWZOMZMRQKYGAW-UHFFFAOYSA-N 0 0 429.952 2.570 50 0 IFAARN C[C@]12CCC(=O)N1[C@@H](C(=O)NC1CCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 ZINC000040134442 569490585 /nfs/dbraw/zinc/49/05/85/569490585.db2.gz UPCCZQSAXWKURL-KDOFPFPSSA-N 0 0 428.480 2.639 50 0 IFAARN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000040135678 569490764 /nfs/dbraw/zinc/49/07/64/569490764.db2.gz MURZPZTYTNPTLQ-UKRRQHHQSA-N 0 0 435.933 2.867 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CC)CCO3)c(C)c1 ZINC000008961631 569491101 /nfs/dbraw/zinc/49/11/01/569491101.db2.gz KSGXWPNCVJACGS-UHFFFAOYSA-N 0 0 431.514 2.999 50 0 IFAARN C[C@H](SCc1ccccc1)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000040141936 569491763 /nfs/dbraw/zinc/49/17/63/569491763.db2.gz CWJGLTGMWRTKMF-SFHVURJKSA-N 0 0 439.647 2.962 50 0 IFAARN C[C@]1(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCS(=O)(=O)C1 ZINC000069084675 569492435 /nfs/dbraw/zinc/49/24/35/569492435.db2.gz MHHHRCUBLQJJSF-NQIIRXRSSA-N 0 0 434.945 2.895 50 0 IFAARN O=C(NC1CCCC1)c1cnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000040149432 569492471 /nfs/dbraw/zinc/49/24/71/569492471.db2.gz SADMGTIJRFUJIK-UHFFFAOYSA-N 0 0 448.976 2.918 50 0 IFAARN COC(=O)CN(C(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1ccccc1C ZINC000040150665 569493239 /nfs/dbraw/zinc/49/32/39/569493239.db2.gz GEFXZDVSMNOARY-UHFFFAOYSA-N 0 0 435.406 2.817 50 0 IFAARN CNC(=O)c1cc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)ccc1Cl ZINC000040151958 569493384 /nfs/dbraw/zinc/49/33/84/569493384.db2.gz ZEVMFLFXVIYUHF-XUSGNXJCSA-N 0 0 434.924 2.775 50 0 IFAARN NC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3sc4ccccc4c3Cl)CC2)o1 ZINC000040154125 569493715 /nfs/dbraw/zinc/49/37/15/569493715.db2.gz FRASVAVUDLFKMT-UHFFFAOYSA-N 0 0 439.946 2.753 50 0 IFAARN O=C(NCCCS(=O)(=O)Cc1ccccc1)c1nc(N2CCCCC2)ncc1Cl ZINC000040154320 569493725 /nfs/dbraw/zinc/49/37/25/569493725.db2.gz LVCKAJFMXPXZHG-UHFFFAOYSA-N 0 0 436.965 2.855 50 0 IFAARN COc1cc(-c2ccccc2)sc1C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000040154284 569493756 /nfs/dbraw/zinc/49/37/56/569493756.db2.gz UTTNCGVDGIVAMT-GJZGRUSLSA-N 0 0 438.571 2.593 50 0 IFAARN CN1C(=O)N(CC(=O)NCCOc2cccc(Br)c2)C(=O)C12CCCCC2 ZINC000040157277 569494237 /nfs/dbraw/zinc/49/42/37/569494237.db2.gz RAEIWRHNBMJFAR-UHFFFAOYSA-N 0 0 438.322 2.541 50 0 IFAARN COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000040157726 569494398 /nfs/dbraw/zinc/49/43/98/569494398.db2.gz OJHOXQXAWKKJGR-GTJPDFRWSA-N 0 0 427.482 2.647 50 0 IFAARN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000008984523 569494769 /nfs/dbraw/zinc/49/47/69/569494769.db2.gz RJVRTULHNQDNRG-UHFFFAOYSA-N 0 0 446.525 2.814 50 0 IFAARN O=C(c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000008986057 569494811 /nfs/dbraw/zinc/49/48/11/569494811.db2.gz CHKIXCAYLDENJZ-UHFFFAOYSA-N 0 0 442.415 2.581 50 0 IFAARN O=S(=O)(NCC1CCN(c2ncc(F)cn2)CC1)c1ccccc1OC(F)(F)F ZINC000244970188 569496665 /nfs/dbraw/zinc/49/66/65/569496665.db2.gz HNKMWBOSRTUEQK-UHFFFAOYSA-N 0 0 434.415 2.709 50 0 IFAARN O=C(Cn1cnc2ccccc2c1=O)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 ZINC000245093508 569497240 /nfs/dbraw/zinc/49/72/40/569497240.db2.gz RRJGJKPWJJLXKG-UHFFFAOYSA-N 0 0 434.525 2.633 50 0 IFAARN COc1ccc(N2C[C@@H](CNC(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2=O)cc1 ZINC000009039196 569497444 /nfs/dbraw/zinc/49/74/44/569497444.db2.gz HLZPGPYZCPOQKP-CQSZACIVSA-N 0 0 429.473 2.896 50 0 IFAARN COc1ccc2cnn(CC(=O)Nc3cc(OC)c(Cl)cc3OC)c(=O)c2c1OC ZINC000040287804 569498265 /nfs/dbraw/zinc/49/82/65/569498265.db2.gz DSJRDGNGILZYGB-UHFFFAOYSA-N 0 0 433.848 2.723 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000009050482 569498635 /nfs/dbraw/zinc/49/86/35/569498635.db2.gz YMJYAXNLFWRBCS-KZZKVKKMSA-N 0 0 447.601 2.987 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccn1 ZINC000040309364 569498678 /nfs/dbraw/zinc/49/86/78/569498678.db2.gz LILIOJMUKFICJX-FQEVSTJZSA-N 0 0 437.456 2.788 50 0 IFAARN O=C(NCc1ccncc1)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 ZINC000009061069 569499535 /nfs/dbraw/zinc/49/95/35/569499535.db2.gz NUDFDUMBRMRBAI-DCXXXQMHSA-N 0 0 429.398 2.703 50 0 IFAARN O=C(NCc1ccncc1)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]13)O2 ZINC000009061066 569499570 /nfs/dbraw/zinc/49/95/70/569499570.db2.gz NUDFDUMBRMRBAI-BMQTXXJKSA-N 0 0 429.398 2.703 50 0 IFAARN COCCN1C(=S)N(c2cc(C(F)(F)F)ccc2Cl)[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000009061178 569499622 /nfs/dbraw/zinc/49/96/22/569499622.db2.gz HQBOKXDQAJGRPX-STQMWFEESA-N 0 0 428.885 2.578 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)C1 ZINC000040355723 569499823 /nfs/dbraw/zinc/49/98/23/569499823.db2.gz GKHYTCDRXBKIOU-ZDUSSCGKSA-N 0 0 431.470 2.539 50 0 IFAARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(=O)OC(C)(C)C)N2N=Cc4ccccc4[C@H]32)cc1 ZINC000009076245 569500303 /nfs/dbraw/zinc/50/03/03/569500303.db2.gz ISZOPQBEIHDNBZ-PLACYPQZSA-N 0 0 447.491 2.916 50 0 IFAARN COc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(CCc3ccc(F)cc3)C2=O)c1 ZINC000009088614 569500856 /nfs/dbraw/zinc/50/08/56/569500856.db2.gz HWWDHIKLRMCRPX-LJQANCHMSA-N 0 0 439.365 2.822 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)N[C@@H]3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 ZINC000245245959 569501238 /nfs/dbraw/zinc/50/12/38/569501238.db2.gz XLDFGRMOFXAIOI-JXXFODFXSA-N 0 0 447.601 2.738 50 0 IFAARN COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)N5CCOCC5)C4)sc3n2)cc1 ZINC000009117397 569503177 /nfs/dbraw/zinc/50/31/77/569503177.db2.gz VBKGBMIQKRTQSJ-MRXNPFEDSA-N 0 0 427.530 2.542 50 0 IFAARN COC(=O)c1sc(N)c(C(=O)OC)c1CN1c2cccc3cccc(c23)S1(=O)=O ZINC000009120606 569503893 /nfs/dbraw/zinc/50/38/93/569503893.db2.gz BWLPKBVYXCCKNQ-UHFFFAOYSA-N 0 0 432.479 2.766 50 0 IFAARN CCn1c(CSc2nc3nc(C)cc(C)n3n2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009120722 569503961 /nfs/dbraw/zinc/50/39/61/569503961.db2.gz QIAALURXGRORKA-UHFFFAOYSA-N 0 0 445.574 2.653 50 0 IFAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000245338779 569504130 /nfs/dbraw/zinc/50/41/30/569504130.db2.gz ONHBYYSYPHMWFV-KBAYOESNSA-N 0 0 434.558 2.934 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCCOc1cccc(C)c1 ZINC000009125059 569504507 /nfs/dbraw/zinc/50/45/07/569504507.db2.gz BOMRLKRQNWIXMH-LJQANCHMSA-N 0 0 433.574 2.986 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000009125849 569504741 /nfs/dbraw/zinc/50/47/41/569504741.db2.gz FXXWDDUUHTYRDK-UHFFFAOYSA-N 0 0 448.541 2.795 50 0 IFAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000009126075 569504788 /nfs/dbraw/zinc/50/47/88/569504788.db2.gz ZUTVAUCJHREUNY-QGZVFWFLSA-N 0 0 426.546 2.687 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)NC(=O)NC1 ZINC000009128098 569505330 /nfs/dbraw/zinc/50/53/30/569505330.db2.gz TUQWIBONCNAMMQ-UHFFFAOYSA-N 0 0 440.481 2.682 50 0 IFAARN Cc1nc(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cs1 ZINC000009128225 569505374 /nfs/dbraw/zinc/50/53/74/569505374.db2.gz OJTDHHOWFVCMCH-UHFFFAOYSA-N 0 0 433.477 2.546 50 0 IFAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCn1nnc2ccccc2c1=O ZINC000009128244 569505400 /nfs/dbraw/zinc/50/54/00/569505400.db2.gz YAOCNUWSVYTHOA-GOSISDBHSA-N 0 0 428.876 2.790 50 0 IFAARN CCn1c(CSc2nnc3nc(C)cc(C)n32)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009128570 569505416 /nfs/dbraw/zinc/50/54/16/569505416.db2.gz BQRJTRYOIQIRAW-UHFFFAOYSA-N 0 0 445.574 2.653 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000009128823 569505496 /nfs/dbraw/zinc/50/54/96/569505496.db2.gz LIXLMKGVTQIFEU-QGZVFWFLSA-N 0 0 446.525 2.508 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000009129422 569505688 /nfs/dbraw/zinc/50/56/88/569505688.db2.gz BOXDUJWURISJAO-FQEVSTJZSA-N 0 0 443.459 2.519 50 0 IFAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N(CC)CC)cc21 ZINC000040450810 569506446 /nfs/dbraw/zinc/50/64/46/569506446.db2.gz UJMRYGKEABXLFZ-UHFFFAOYSA-N 0 0 445.379 2.780 50 0 IFAARN Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)c(Cl)c1 ZINC000040478083 569506672 /nfs/dbraw/zinc/50/66/72/569506672.db2.gz ZHFZVGNFSOMVJL-UHFFFAOYSA-N 0 0 444.829 2.915 50 0 IFAARN Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)cc1F ZINC000040478051 569506692 /nfs/dbraw/zinc/50/66/92/569506692.db2.gz SKEXVCIPKDEJQG-UHFFFAOYSA-N 0 0 426.839 2.776 50 0 IFAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2cc(Cl)ccc2C)c3=O)c1 ZINC000040478134 569506745 /nfs/dbraw/zinc/50/67/45/569506745.db2.gz WYVQREORARKNGV-UHFFFAOYSA-N 0 0 438.875 2.645 50 0 IFAARN Cc1cnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)s1 ZINC000009134354 569507049 /nfs/dbraw/zinc/50/70/49/569507049.db2.gz XZOAHGBDFWTBHN-HNNXBMFYSA-N 0 0 448.570 2.618 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc(F)cc3)c2)C[C@@H](C)O1 ZINC000009141156 569507244 /nfs/dbraw/zinc/50/72/44/569507244.db2.gz JDKJZIBXOHSNAX-HUUCEWRRSA-N 0 0 435.473 2.663 50 0 IFAARN CCCn1nc(C(=O)OCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)c2ccccc2c1=O ZINC000009144628 569507296 /nfs/dbraw/zinc/50/72/96/569507296.db2.gz RHRFLZMTPWGMHA-UHFFFAOYSA-N 0 0 439.468 2.968 50 0 IFAARN COc1cc(NC(=O)C[C@@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc(OC)c1 ZINC000009151723 569507579 /nfs/dbraw/zinc/50/75/79/569507579.db2.gz ZEINACJVRRLOPF-CYBMUJFWSA-N 0 0 448.497 2.534 50 0 IFAARN CCN(C(=O)C[C@@H](C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2)c1ccc(OC)cc1 ZINC000009151840 569507651 /nfs/dbraw/zinc/50/76/51/569507651.db2.gz JKNBLUYGGUMNQI-OAHLLOKOSA-N 0 0 446.525 2.940 50 0 IFAARN COc1ccc(NS(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)cc1 ZINC000009153270 569507965 /nfs/dbraw/zinc/50/79/65/569507965.db2.gz UUSFBUZKEUXZGP-UHFFFAOYSA-N 0 0 441.440 2.826 50 0 IFAARN CC(=O)c1cccc(NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c1 ZINC000009153191 569507972 /nfs/dbraw/zinc/50/79/72/569507972.db2.gz WVDJKQFINLOUFC-UHFFFAOYSA-N 0 0 435.461 2.881 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000009155008 569508249 /nfs/dbraw/zinc/50/82/49/569508249.db2.gz IBQQUQHSLKCGQX-UHFFFAOYSA-N 0 0 425.894 2.614 50 0 IFAARN CCNC(=O)NC(=O)CNc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC ZINC000009157249 569508414 /nfs/dbraw/zinc/50/84/14/569508414.db2.gz BUPICHLBNVVAEF-UHFFFAOYSA-N 0 0 428.489 2.994 50 0 IFAARN Cn1c(=O)c2c(SCc3nc(-c4ccccc4)no3)nc(C(C)(C)C)nc2n(C)c1=O ZINC000009170063 569509252 /nfs/dbraw/zinc/50/92/52/569509252.db2.gz ZXVDXQXWZWXJTC-UHFFFAOYSA-N 0 0 438.513 2.667 50 0 IFAARN Cc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000009174229 569509613 /nfs/dbraw/zinc/50/96/13/569509613.db2.gz HBMGXPJNYFZMDD-OAHLLOKOSA-N 0 0 433.917 2.711 50 0 IFAARN CCn1cc(C(=O)N[C@@H](C)C(=O)Nc2ccc(OC)cc2)c(=O)c2cc3c(cc21)OCO3 ZINC000009184080 569509931 /nfs/dbraw/zinc/50/99/31/569509931.db2.gz DSZOBGKJSDTEHN-ZDUSSCGKSA-N 0 0 437.452 2.516 50 0 IFAARN CNC(=O)COC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O ZINC000009195535 569511023 /nfs/dbraw/zinc/51/10/23/569511023.db2.gz TZUKVUCGBJXZGO-UHFFFAOYSA-N 0 0 447.413 2.685 50 0 IFAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000009199848 569511124 /nfs/dbraw/zinc/51/11/24/569511124.db2.gz BLTSKJROQJFQCX-UHFFFAOYSA-N 0 0 427.530 2.867 50 0 IFAARN COc1ccc(-n2nnnc2C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000009199873 569511148 /nfs/dbraw/zinc/51/11/48/569511148.db2.gz KGHBJEOXAQKPHI-UHFFFAOYSA-N 0 0 433.921 2.893 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1C ZINC000009203575 569511308 /nfs/dbraw/zinc/51/13/08/569511308.db2.gz UKVGDJPHBNCQEZ-UHFFFAOYSA-N 0 0 443.500 2.645 50 0 IFAARN O=C(CNc1ccccc1N1CCCC1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009207641 569511435 /nfs/dbraw/zinc/51/14/35/569511435.db2.gz IDEJLBCUTKCJIS-UHFFFAOYSA-N 0 0 442.541 2.649 50 0 IFAARN CCOc1cc2c(cc1NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)O[C@@H](C)C2 ZINC000009220438 569512537 /nfs/dbraw/zinc/51/25/37/569512537.db2.gz CFIYMDUXYCQLAF-NSHDSACASA-N 0 0 437.418 2.993 50 0 IFAARN CCOc1cc2c(cc1NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)O[C@H](C)C2 ZINC000009220437 569512577 /nfs/dbraw/zinc/51/25/77/569512577.db2.gz CFIYMDUXYCQLAF-LLVKDONJSA-N 0 0 437.418 2.993 50 0 IFAARN COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1 ZINC000009225982 569513209 /nfs/dbraw/zinc/51/32/09/569513209.db2.gz AJWDDPAAUMFTFB-UHFFFAOYSA-N 0 0 432.542 2.526 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)c(F)c2)c1N ZINC000009226992 569513332 /nfs/dbraw/zinc/51/33/32/569513332.db2.gz XRNDFTIWROSLPW-UHFFFAOYSA-N 0 0 432.843 2.861 50 0 IFAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3c(C)cc(C)cc3C)c2N)c1 ZINC000009226939 569513366 /nfs/dbraw/zinc/51/33/66/569513366.db2.gz JMIKFLYXXDFGGV-UHFFFAOYSA-N 0 0 438.488 2.694 50 0 IFAARN O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000009232776 569513784 /nfs/dbraw/zinc/51/37/84/569513784.db2.gz UMWHVBTZIYRUQL-RQXXJAGISA-N 0 0 425.847 2.910 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009238691 569514351 /nfs/dbraw/zinc/51/43/51/569514351.db2.gz GNOZNLOLQBTFKV-MOPGFXCFSA-N 0 0 425.514 2.679 50 0 IFAARN O=C([C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1)N1CCOCC1 ZINC000009238528 569514359 /nfs/dbraw/zinc/51/43/59/569514359.db2.gz ACZXBTYKWZKKES-ROUUACIJSA-N 0 0 425.489 2.702 50 0 IFAARN COc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1 ZINC000009242797 569514724 /nfs/dbraw/zinc/51/47/24/569514724.db2.gz XVDRCRYFKQYHMV-UHFFFAOYSA-N 0 0 437.887 2.759 50 0 IFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc2ccccc2n1 ZINC000009244537 569515084 /nfs/dbraw/zinc/51/50/84/569515084.db2.gz UWARTWLUYWWPAZ-NRFANRHFSA-N 0 0 441.509 2.948 50 0 IFAARN COc1cc(OC)cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2cccc(C)c2)c1 ZINC000009252600 569516015 /nfs/dbraw/zinc/51/60/15/569516015.db2.gz SCEHOFJKEDTBLU-RTWAWAEBSA-N 0 0 434.496 2.937 50 0 IFAARN O=C(COC(=O)c1cc2ccccc2cc1O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000009253678 569516254 /nfs/dbraw/zinc/51/62/54/569516254.db2.gz ILAYKIIZCUFQQP-UHFFFAOYSA-N 0 0 432.354 2.874 50 0 IFAARN Cn1c(SCC(=O)c2ccc(S(C)(=O)=O)cc2)nnc1[C@H]1COc2ccccc2O1 ZINC000009255525 569516615 /nfs/dbraw/zinc/51/66/15/569516615.db2.gz AOMQAULZBFXAKS-GOSISDBHSA-N 0 0 445.522 2.706 50 0 IFAARN CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1OC ZINC000009260316 569516910 /nfs/dbraw/zinc/51/69/10/569516910.db2.gz GZRCGWZFIOQZFA-SFHVURJKSA-N 0 0 437.543 2.568 50 0 IFAARN CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(OC)cc1 ZINC000009260390 569516932 /nfs/dbraw/zinc/51/69/32/569516932.db2.gz IHNQCZLQPLTBGY-IBGZPJMESA-N 0 0 437.543 2.568 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C)c2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)cc1 ZINC000009263347 569517154 /nfs/dbraw/zinc/51/71/54/569517154.db2.gz SJAQQUNFTXYADC-RYUDHWBXSA-N 0 0 446.558 2.891 50 0 IFAARN C[C@H](Sc1nnc(CNC(=O)c2ccc(Cl)cc2)n1C)C(=O)Nc1nccs1 ZINC000009263444 569517164 /nfs/dbraw/zinc/51/71/64/569517164.db2.gz SLQHSWIFXORBMY-JTQLQIEISA-N 0 0 436.950 2.974 50 0 IFAARN Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)N2CCc3ccccc3C2)n1C ZINC000009263626 569517218 /nfs/dbraw/zinc/51/72/18/569517218.db2.gz UUJNDZYYQAOLJX-UHFFFAOYSA-N 0 0 435.553 2.982 50 0 IFAARN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NCc1cccnc1 ZINC000009276476 569518444 /nfs/dbraw/zinc/51/84/44/569518444.db2.gz NSXLDMJMUIJVPK-UHFFFAOYSA-N 0 0 426.542 2.917 50 0 IFAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCc1cccnc1)nc2C ZINC000009276733 569518526 /nfs/dbraw/zinc/51/85/26/569518526.db2.gz FEABNMCMIDOGFR-UHFFFAOYSA-N 0 0 430.512 2.999 50 0 IFAARN CC(=O)c1ccc(O[C@H](C)C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000009283485 569518916 /nfs/dbraw/zinc/51/89/16/569518916.db2.gz JJFBARSHZUVUAV-CYBMUJFWSA-N 0 0 444.509 2.878 50 0 IFAARN Cc1ccc(C)c(C(=O)CSc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000009284380 569519086 /nfs/dbraw/zinc/51/90/86/569519086.db2.gz NYICPJJSZGDPRG-UHFFFAOYSA-N 0 0 426.542 2.917 50 0 IFAARN O=C(CSc1n[nH]c(=O)n1C[C@H]1CCCO1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000069808700 569519286 /nfs/dbraw/zinc/51/92/86/569519286.db2.gz CQQXUXKAPAMMCF-UXHICEINSA-N 0 0 438.553 2.943 50 0 IFAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1 ZINC000009287997 569519325 /nfs/dbraw/zinc/51/93/25/569519325.db2.gz QDXKNAXYARXGDP-KRWDZBQOSA-N 0 0 429.546 2.739 50 0 IFAARN NC(=O)CNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000009289555 569519594 /nfs/dbraw/zinc/51/95/94/569519594.db2.gz OBQWTTXBVRNCDO-VWLOTQADSA-N 0 0 438.487 2.982 50 0 IFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2C)cc1 ZINC000009302368 569520742 /nfs/dbraw/zinc/52/07/42/569520742.db2.gz GRQKVNGXZNKXDG-UHFFFAOYSA-N 0 0 446.558 2.558 50 0 IFAARN COc1ccc(C(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)cc1OC ZINC000009302976 569520979 /nfs/dbraw/zinc/52/09/79/569520979.db2.gz PGURKCPOZRZOGC-UHFFFAOYSA-N 0 0 426.498 2.989 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1 ZINC000009302954 569520982 /nfs/dbraw/zinc/52/09/82/569520982.db2.gz MBAYEIOOGYAWMY-SFHVURJKSA-N 0 0 441.553 2.936 50 0 IFAARN O=C(NCc1cccs1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009303119 569520992 /nfs/dbraw/zinc/52/09/92/569520992.db2.gz YPSGWGFGQRZWSP-INIZCTEOSA-N 0 0 447.582 2.592 50 0 IFAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)c1ccccc1 ZINC000009303563 569521003 /nfs/dbraw/zinc/52/10/03/569521003.db2.gz HRIUFRFTCFQMRZ-GOEBONIOSA-N 0 0 430.555 2.969 50 0 IFAARN CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)Nc1nncs1 ZINC000009303526 569521006 /nfs/dbraw/zinc/52/10/06/569521006.db2.gz UPCVNICMVIEAEQ-UHFFFAOYSA-N 0 0 431.547 2.678 50 0 IFAARN O=C(Nc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009303714 569521082 /nfs/dbraw/zinc/52/10/82/569521082.db2.gz LVJOAHQOOXCRIT-INIZCTEOSA-N 0 0 445.516 2.992 50 0 IFAARN O=C(CN1c2ccccc2C(=O)N2C[C@@H](O)C[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000009305043 569521205 /nfs/dbraw/zinc/52/12/05/569521205.db2.gz LIKCMBUXGPKNKA-SJCJKPOMSA-N 0 0 434.279 2.554 50 0 IFAARN C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1=O ZINC000009314104 569521972 /nfs/dbraw/zinc/52/19/72/569521972.db2.gz AZOVDZLOQOITMF-HSZRJFAPSA-N 0 0 434.452 2.647 50 0 IFAARN COc1ccc([C@@H]2CCCCCN2CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000009314479 569521979 /nfs/dbraw/zinc/52/19/79/569521979.db2.gz XDZVWWCNHUCIEU-IBGZPJMESA-N 0 0 428.533 2.898 50 0 IFAARN C[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009313989 569522008 /nfs/dbraw/zinc/52/20/08/569522008.db2.gz HLRSUOOYGGUJEN-APWZRJJASA-N 0 0 430.526 2.878 50 0 IFAARN O=C(CSc1ccc2c(c1)OCCO2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009318276 569522438 /nfs/dbraw/zinc/52/24/38/569522438.db2.gz YETLWHIOSTYYMD-UHFFFAOYSA-N 0 0 434.539 2.973 50 0 IFAARN O=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000069879344 569522605 /nfs/dbraw/zinc/52/26/05/569522605.db2.gz AXVFYQGVKDARGV-UHFFFAOYSA-N 0 0 441.509 2.968 50 0 IFAARN CNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3cccc(OC)c3)c2=O)CC1 ZINC000009320976 569522606 /nfs/dbraw/zinc/52/26/06/569522606.db2.gz VFPSIURYUJMUTL-UHFFFAOYSA-N 0 0 441.553 2.834 50 0 IFAARN NC(=O)NC(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000009334393 569523210 /nfs/dbraw/zinc/52/32/10/569523210.db2.gz PZOXWXRTEVBVGF-UHFFFAOYSA-N 0 0 432.889 2.568 50 0 IFAARN CNC(=O)NC(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000009334395 569523230 /nfs/dbraw/zinc/52/32/30/569523230.db2.gz CRBTWISQUXWRHZ-UHFFFAOYSA-N 0 0 446.916 2.829 50 0 IFAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009336137 569523377 /nfs/dbraw/zinc/52/33/77/569523377.db2.gz LSTYMOMUUINRJP-UHFFFAOYSA-N 0 0 443.554 2.987 50 0 IFAARN CC1(C)Cc2cccc(OCC(=O)NN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)c2O1 ZINC000009336173 569523386 /nfs/dbraw/zinc/52/33/86/569523386.db2.gz NOEFASZDELOPPX-XMMPIXPASA-N 0 0 437.496 2.753 50 0 IFAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 ZINC000009340690 569523856 /nfs/dbraw/zinc/52/38/56/569523856.db2.gz DIWBIBLNZXIFIW-WVSUBDOOSA-N 0 0 434.279 2.893 50 0 IFAARN C[C@H]1CCCCN1C(=O)CN1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000069930230 569524199 /nfs/dbraw/zinc/52/41/99/569524199.db2.gz IPVCHUMUUOMRIJ-XUZZJYLKSA-N 0 0 426.605 2.759 50 0 IFAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000009347968 569524347 /nfs/dbraw/zinc/52/43/47/569524347.db2.gz ZPKGMTPGTKOPNI-CROMWVBPSA-N 0 0 437.883 2.780 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1C ZINC000009351651 569524886 /nfs/dbraw/zinc/52/48/86/569524886.db2.gz VONNGIQKNWJOQV-AWEZNQCLSA-N 0 0 439.921 2.591 50 0 IFAARN CCn1c2ccccc2n(CCC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c1=O ZINC000069951003 569525331 /nfs/dbraw/zinc/52/53/31/569525331.db2.gz PDVCLYFSCJZACM-UHFFFAOYSA-N 0 0 436.512 2.853 50 0 IFAARN CC(C)n1ncc2cc(NC(=O)N3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)cnc21 ZINC000069950899 569525364 /nfs/dbraw/zinc/52/53/64/569525364.db2.gz RBWQIMKZRXKUAY-KRWDZBQOSA-N 0 0 427.553 2.563 50 0 IFAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccccc2F)cc1 ZINC000009356305 569525455 /nfs/dbraw/zinc/52/54/55/569525455.db2.gz VIRYEHIMHAQOQC-UHFFFAOYSA-N 0 0 430.505 2.732 50 0 IFAARN COc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1Cl ZINC000009365329 569526090 /nfs/dbraw/zinc/52/60/90/569526090.db2.gz WYKWLTQMPXNEDC-UHFFFAOYSA-N 0 0 427.910 2.658 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 ZINC000009365827 569526146 /nfs/dbraw/zinc/52/61/46/569526146.db2.gz OEQZAPIHYXURDD-HNNXBMFYSA-N 0 0 438.553 2.988 50 0 IFAARN O=C(CSc1nnc(Nc2cccc(F)c2)s1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000009365843 569526173 /nfs/dbraw/zinc/52/61/73/569526173.db2.gz GGNWZVSGASMBHN-UHFFFAOYSA-N 0 0 449.533 2.701 50 0 IFAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1nn2c(nnc2-c2ccc(Cl)cc2)s1 ZINC000041076516 569526456 /nfs/dbraw/zinc/52/64/56/569526456.db2.gz PBOZVGYMKHLJOT-UHFFFAOYSA-N 0 0 438.856 2.741 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000009369859 569526816 /nfs/dbraw/zinc/52/68/16/569526816.db2.gz GHOVRLJTAMPXNW-LYPXWFNGSA-N 0 0 439.924 2.847 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000009377025 569527365 /nfs/dbraw/zinc/52/73/65/569527365.db2.gz WOBZMGPLJDYJTH-UHFFFAOYSA-N 0 0 430.526 2.523 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000009376831 569527400 /nfs/dbraw/zinc/52/74/00/569527400.db2.gz JHHFIFXGARIWHU-UHFFFAOYSA-N 0 0 436.530 2.924 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000009379512 569527690 /nfs/dbraw/zinc/52/76/90/569527690.db2.gz YYGFAQUVBMIHBT-OAQYLSRUSA-N 0 0 426.542 2.623 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CNc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000009379297 569527710 /nfs/dbraw/zinc/52/77/10/569527710.db2.gz KOWHMFRPACPOLF-UHFFFAOYSA-N 0 0 433.530 2.944 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000009383888 569528381 /nfs/dbraw/zinc/52/83/81/569528381.db2.gz UPEFZSJLUHQRLG-AWEZNQCLSA-N 0 0 448.497 2.630 50 0 IFAARN O=C(CN1CCc2sccc2[C@@H]1c1cccs1)N1CCN(c2ncccn2)CC1 ZINC000009389576 569528584 /nfs/dbraw/zinc/52/85/84/569528584.db2.gz NONPRMRKVWRDSJ-HXUWFJFHSA-N 0 0 425.583 2.896 50 0 IFAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 ZINC000009396862 569529224 /nfs/dbraw/zinc/52/92/24/569529224.db2.gz NSYCLRYDAXORDX-HNNXBMFYSA-N 0 0 445.541 2.642 50 0 IFAARN CCc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000009405229 569529804 /nfs/dbraw/zinc/52/98/04/569529804.db2.gz BZCHSCPIEARHCI-MRXNPFEDSA-N 0 0 425.514 2.659 50 0 IFAARN COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C ZINC000009405425 569529892 /nfs/dbraw/zinc/52/98/92/569529892.db2.gz USNHSALSMYYDMJ-UHFFFAOYSA-N 0 0 439.493 2.815 50 0 IFAARN CSc1cccc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCOCC3)CC2)c1 ZINC000009407297 569530244 /nfs/dbraw/zinc/53/02/44/569530244.db2.gz SOFZRTOPYPJXKF-UHFFFAOYSA-N 0 0 443.569 2.698 50 0 IFAARN COc1ccc(OC)c(-c2nc3c([nH]c(=O)n3-c3cccc(Cl)c3)c(C(N)=O)n2)c1 ZINC000009407957 569530372 /nfs/dbraw/zinc/53/03/72/569530372.db2.gz NJFOTURONUCDHR-UHFFFAOYSA-N 0 0 425.832 2.545 50 0 IFAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)Nc1cccc(F)c1 ZINC000009408035 569530470 /nfs/dbraw/zinc/53/04/70/569530470.db2.gz VFYXBTKGVCAQTC-UHFFFAOYSA-N 0 0 447.488 2.937 50 0 IFAARN C[C@@H]1CCC[C@@H](N(C)C(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)[C@@H]1C ZINC000009408119 569530522 /nfs/dbraw/zinc/53/05/22/569530522.db2.gz AUBWPDKSHPEXHX-JFIYKMOQSA-N 0 0 449.573 2.662 50 0 IFAARN CCOc1ccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c2ccccc2)cc1 ZINC000009408363 569530525 /nfs/dbraw/zinc/53/05/25/569530525.db2.gz PHHOOJFLQUKZCI-OALUTQOASA-N 0 0 445.566 2.799 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(CCc5ccccc5)C(=O)[C@@H]24)O3)cc1OC ZINC000009410395 569531357 /nfs/dbraw/zinc/53/13/57/569531357.db2.gz WOVSHUFYFUOIMY-PTGPVQHPSA-N 0 0 434.492 2.667 50 0 IFAARN COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)cc1OC ZINC000009413225 569531704 /nfs/dbraw/zinc/53/17/04/569531704.db2.gz QAIGOEGJGULXFM-SSEXGKCCSA-N 0 0 429.473 2.972 50 0 IFAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009413254 569531730 /nfs/dbraw/zinc/53/17/30/569531730.db2.gz ZCOFLLGFUAENKY-UHFFFAOYSA-N 0 0 443.500 2.697 50 0 IFAARN O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)Nc1ccc2c(c1)OCCO2 ZINC000009416414 569532328 /nfs/dbraw/zinc/53/23/28/569532328.db2.gz KKFJGMDDRRQPBE-UHFFFAOYSA-N 0 0 437.843 2.646 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 ZINC000009416562 569532335 /nfs/dbraw/zinc/53/23/35/569532335.db2.gz IIASITCXGHRFQU-UHFFFAOYSA-N 0 0 430.468 2.796 50 0 IFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c(OC)c1 ZINC000009416397 569532341 /nfs/dbraw/zinc/53/23/41/569532341.db2.gz SQXVGFJJBGFALZ-UHFFFAOYSA-N 0 0 439.859 2.892 50 0 IFAARN Cc1nnc(SCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)n1Cc1ccccc1 ZINC000009417413 569532372 /nfs/dbraw/zinc/53/23/72/569532372.db2.gz BJFCOVHLCJOGMP-UHFFFAOYSA-N 0 0 434.525 2.622 50 0 IFAARN O=C(NC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009418368 569532439 /nfs/dbraw/zinc/53/24/39/569532439.db2.gz ZPZUJCWJNOJLCP-QGZVFWFLSA-N 0 0 433.574 2.663 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NCc1ccncc1 ZINC000009419076 569532470 /nfs/dbraw/zinc/53/24/70/569532470.db2.gz ZARHCOPYCMALAL-IBGZPJMESA-N 0 0 439.903 2.776 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NCc1ccccn1 ZINC000009419377 569532573 /nfs/dbraw/zinc/53/25/73/569532573.db2.gz PULBDLWIGMDRPC-IBGZPJMESA-N 0 0 439.903 2.776 50 0 IFAARN Cc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)[nH]c2c1 ZINC000009428269 569533483 /nfs/dbraw/zinc/53/34/83/569533483.db2.gz CNMBZKOASXXTPV-UHFFFAOYSA-N 0 0 439.537 2.594 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)NCc3cccs3)C(C)C)cc2C[C@H]1C ZINC000009429239 569533662 /nfs/dbraw/zinc/53/36/62/569533662.db2.gz VVHKPRMKHBDISU-VLIAUNLRSA-N 0 0 449.598 2.665 50 0 IFAARN Cn1c(=O)c2sc3c(c2n(CC(=O)Nc2ccccc2Cl)c1=O)COC(C)(C)C3 ZINC000009435290 569534804 /nfs/dbraw/zinc/53/48/04/569534804.db2.gz YNZRRWBGVATNKL-UHFFFAOYSA-N 0 0 433.917 2.905 50 0 IFAARN O=C(COC(=O)c1cccs1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009439185 569535037 /nfs/dbraw/zinc/53/50/37/569535037.db2.gz ZPKVLPKKCCJKMR-UHFFFAOYSA-N 0 0 428.919 2.982 50 0 IFAARN O=C(OCN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000009439376 569535097 /nfs/dbraw/zinc/53/50/97/569535097.db2.gz RKXBDVMOBBIDQO-UHFFFAOYSA-N 0 0 426.856 2.989 50 0 IFAARN CCOC(=O)c1cc(-c2ccccn2)nc2c1c(=O)n(CC)c(=O)n2Cc1ccccc1 ZINC000009439961 569535142 /nfs/dbraw/zinc/53/51/42/569535142.db2.gz VFBABYCHGCTCCJ-UHFFFAOYSA-N 0 0 430.464 2.865 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000009440426 569535204 /nfs/dbraw/zinc/53/52/04/569535204.db2.gz XUVOMLBOWUEXIF-LBPRGKRZSA-N 0 0 434.901 2.813 50 0 IFAARN CC(C)C[C@H](C(=O)OCC(=O)c1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O ZINC000009441018 569535332 /nfs/dbraw/zinc/53/53/32/569535332.db2.gz BJPQKHXLTZLRRB-GOSISDBHSA-N 0 0 437.448 2.895 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nc(-c3cccs3)no2)C1=O ZINC000009446159 569535897 /nfs/dbraw/zinc/53/58/97/569535897.db2.gz BESDFVCIGTTXDP-OAQYLSRUSA-N 0 0 439.497 2.705 50 0 IFAARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000009448720 569536115 /nfs/dbraw/zinc/53/61/15/569536115.db2.gz FJGYXELPVKAFQK-DHIUTWEWSA-N 0 0 427.504 2.987 50 0 IFAARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000009448722 569536130 /nfs/dbraw/zinc/53/61/30/569536130.db2.gz FJGYXELPVKAFQK-XZOQPEGZSA-N 0 0 427.504 2.987 50 0 IFAARN CCn1c(CSc2nnc(-c3ccco3)n2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009461564 569537084 /nfs/dbraw/zinc/53/70/84/569537084.db2.gz PTPGJNAWIZHZOE-UHFFFAOYSA-N 0 0 446.558 2.987 50 0 IFAARN CCCCOc1ccccc1/C=c1\sc2nc(=O)c(Cc3ccc(OC)cc3)nn2c1=O ZINC000009461901 569537141 /nfs/dbraw/zinc/53/71/41/569537141.db2.gz ZMDPRQGTJNRBGN-QNGOZBTKSA-N 0 0 449.532 2.837 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2O)cc1 ZINC000009464297 569537652 /nfs/dbraw/zinc/53/76/52/569537652.db2.gz RKTSFXINAIOZGI-GFCCVEGCSA-N 0 0 440.905 2.916 50 0 IFAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000009465594 569537946 /nfs/dbraw/zinc/53/79/46/569537946.db2.gz LSENVHKZQXJWCQ-BSEYFRJRSA-N 0 0 435.480 2.741 50 0 IFAARN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000009465566 569537971 /nfs/dbraw/zinc/53/79/71/569537971.db2.gz GODYOHPDIDVMCH-KRWDZBQOSA-N 0 0 437.949 2.941 50 0 IFAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000009465590 569537975 /nfs/dbraw/zinc/53/79/75/569537975.db2.gz LSENVHKZQXJWCQ-LFPIHBKWSA-N 0 0 435.480 2.741 50 0 IFAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009466579 569538209 /nfs/dbraw/zinc/53/82/09/569538209.db2.gz QDCJPQSRZIVZLV-CQSZACIVSA-N 0 0 436.946 2.924 50 0 IFAARN Cc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1Br ZINC000009466527 569538226 /nfs/dbraw/zinc/53/82/26/569538226.db2.gz GSOAEBXRUFXAKV-UHFFFAOYSA-N 0 0 433.349 2.809 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)OCO2 ZINC000009467179 569538345 /nfs/dbraw/zinc/53/83/45/569538345.db2.gz UHZYEIYIRMIIAO-UHFFFAOYSA-N 0 0 436.461 2.796 50 0 IFAARN Cn1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cn1 ZINC000009467434 569538405 /nfs/dbraw/zinc/53/84/05/569538405.db2.gz QFKJKJUSRKFYCA-UHFFFAOYSA-N 0 0 428.470 2.635 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000009467549 569538489 /nfs/dbraw/zinc/53/84/89/569538489.db2.gz VGFURWSEOLHSAI-IQMFZBJNSA-N 0 0 425.533 2.598 50 0 IFAARN COc1ccc(CCNC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)cc1OC ZINC000009474855 569539017 /nfs/dbraw/zinc/53/90/17/569539017.db2.gz QTKUJOQVWVNMIT-UHFFFAOYSA-N 0 0 444.491 2.830 50 0 IFAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000015728474 569539429 /nfs/dbraw/zinc/53/94/29/569539429.db2.gz ICCNOQYVEJTPRM-UHFFFAOYSA-N 0 0 449.554 2.779 50 0 IFAARN COCCCn1c(C)cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1C ZINC000009481657 569539496 /nfs/dbraw/zinc/53/94/96/569539496.db2.gz MIYNOUXLSZVDHH-OAQYLSRUSA-N 0 0 436.512 2.969 50 0 IFAARN COCCCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000009481336 569539507 /nfs/dbraw/zinc/53/95/07/569539507.db2.gz XTHUSRLACWYGDZ-CQSZACIVSA-N 0 0 425.942 2.947 50 0 IFAARN COCCCn1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c1nc1c(C)cccn1c2=O ZINC000009487424 569539799 /nfs/dbraw/zinc/53/97/99/569539799.db2.gz DKINIPVRQHLTFP-UHFFFAOYSA-N 0 0 448.479 2.653 50 0 IFAARN COc1ccccc1-n1c(=O)c2c[nH]nc2nc1SCC(=O)NCc1cccs1 ZINC000009490160 569540110 /nfs/dbraw/zinc/54/01/10/569540110.db2.gz SYAWJKGVJRVFNB-UHFFFAOYSA-N 0 0 427.511 2.587 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCc1ccc(F)cc1 ZINC000009492148 569540494 /nfs/dbraw/zinc/54/04/94/569540494.db2.gz SVBQXZGSILDUFI-KRWDZBQOSA-N 0 0 428.526 2.724 50 0 IFAARN CCCn1c2nc(CC(C)C)nc(SCc3ccc(C(=O)OC)o3)c2c(=O)n(C)c1=O ZINC000009493159 569540699 /nfs/dbraw/zinc/54/06/99/569540699.db2.gz HLWVHHNSAKIMMP-UHFFFAOYSA-N 0 0 446.529 2.771 50 0 IFAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000009496287 569541232 /nfs/dbraw/zinc/54/12/32/569541232.db2.gz KHXILQTWNCIXFU-UHFFFAOYSA-N 0 0 433.464 2.895 50 0 IFAARN CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)Oc1ccccc1 ZINC000009501927 569541650 /nfs/dbraw/zinc/54/16/50/569541650.db2.gz UWTQEHGXDSUCSJ-GOSISDBHSA-N 0 0 438.933 2.950 50 0 IFAARN COc1ccc(NC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)cc1S(=O)(=O)N1CCOCC1 ZINC000009502439 569541724 /nfs/dbraw/zinc/54/17/24/569541724.db2.gz NLQPETYCJIQZLU-GJZGRUSLSA-N 0 0 446.525 2.853 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2nn(C)c(=O)c3ccccc32)ccc1Cl ZINC000009506748 569541821 /nfs/dbraw/zinc/54/18/21/569541821.db2.gz SPRGCBHMHUUOAN-UHFFFAOYSA-N 0 0 448.932 2.870 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OCC(=O)N2CCc3ccccc32)cc1 ZINC000009504186 569541822 /nfs/dbraw/zinc/54/18/22/569541822.db2.gz RNGNSCWATMWFLO-NRFANRHFSA-N 0 0 442.537 2.671 50 0 IFAARN Cc1cccc(-n2nnnc2SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 ZINC000009506897 569541906 /nfs/dbraw/zinc/54/19/06/569541906.db2.gz ZBCPIYPZNKSMKT-GFCCVEGCSA-N 0 0 442.570 2.987 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(F)cc2Br)c1 ZINC000009507692 569542124 /nfs/dbraw/zinc/54/21/24/569542124.db2.gz NGPKDQXWUBUHRV-UHFFFAOYSA-N 0 0 431.283 2.856 50 0 IFAARN CC(C)CCNC(=O)NC(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000009510288 569542709 /nfs/dbraw/zinc/54/27/09/569542709.db2.gz BSHLBNSEIRJDKK-UHFFFAOYSA-N 0 0 437.924 2.607 50 0 IFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccccc1Br ZINC000009512449 569543002 /nfs/dbraw/zinc/54/30/02/569543002.db2.gz YBHKZHLXLYLOKY-AWEZNQCLSA-N 0 0 440.363 2.894 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Nn3cnc4ccccc43)CC2)c1C ZINC000009514163 569543143 /nfs/dbraw/zinc/54/31/43/569543143.db2.gz FYBVMDZZYINWII-UHFFFAOYSA-N 0 0 441.557 2.940 50 0 IFAARN Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@H](C)CN3CCc2ccccc2)n(C)c1=O ZINC000009519129 569544243 /nfs/dbraw/zinc/54/42/43/569544243.db2.gz WGVGTXWVGBMSCT-GOSISDBHSA-N 0 0 443.551 2.952 50 0 IFAARN CCOC(=O)N1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C(=O)OC)C1 ZINC000009521532 569544451 /nfs/dbraw/zinc/54/44/51/569544451.db2.gz BLRZTAGMEHHYQX-UHFFFAOYSA-N 0 0 446.481 2.959 50 0 IFAARN CSc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)c1 ZINC000009526892 569544599 /nfs/dbraw/zinc/54/45/99/569544599.db2.gz MRTGGNSJOCRJFG-UHFFFAOYSA-N 0 0 426.517 2.897 50 0 IFAARN O=C(CSc1ncc(CO)n1Cc1ccc(F)cc1)NCc1ccc2c(c1)OCO2 ZINC000009529166 569544770 /nfs/dbraw/zinc/54/47/70/569544770.db2.gz KKNOUECDSQKVNR-UHFFFAOYSA-N 0 0 429.473 2.700 50 0 IFAARN Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1sccc1C(N)=O ZINC000009544539 569545949 /nfs/dbraw/zinc/54/59/49/569545949.db2.gz HHNZUXYFRCANBH-UHFFFAOYSA-N 0 0 437.934 2.939 50 0 IFAARN CCOc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009544720 569546026 /nfs/dbraw/zinc/54/60/26/569546026.db2.gz VVTYNJXCYRFNNQ-UHFFFAOYSA-N 0 0 432.542 2.777 50 0 IFAARN O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009545337 569546080 /nfs/dbraw/zinc/54/60/80/569546080.db2.gz VAMNMIFRCVTUBI-UHFFFAOYSA-N 0 0 447.797 2.705 50 0 IFAARN C[C@H](NC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1 ZINC000009549113 569546556 /nfs/dbraw/zinc/54/65/56/569546556.db2.gz NTJAXGRJTNTVFX-INIZCTEOSA-N 0 0 427.464 2.921 50 0 IFAARN Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1C ZINC000009551222 569546668 /nfs/dbraw/zinc/54/66/68/569546668.db2.gz OUDUDTIOUMMILH-MRXNPFEDSA-N 0 0 428.510 2.855 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2cccs2)cc1 ZINC000009559454 569546939 /nfs/dbraw/zinc/54/69/39/569546939.db2.gz RMZBJKLFZUQOAG-CQSZACIVSA-N 0 0 428.557 2.573 50 0 IFAARN Cc1cc2ccccc2n1CCNC(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009568803 569547368 /nfs/dbraw/zinc/54/73/68/569547368.db2.gz DGMFRABJBCYXNO-GOSISDBHSA-N 0 0 434.496 2.826 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@@H]1CCCc2ccccc21 ZINC000009575926 569548025 /nfs/dbraw/zinc/54/80/25/569548025.db2.gz QNHJKSFZMGHCFN-MOPGFXCFSA-N 0 0 435.480 2.810 50 0 IFAARN CCOC(=O)[C@H](CC)Sc1ccc2nnc(CCNC(=O)c3ccc(C)cc3)n2n1 ZINC000009578544 569548337 /nfs/dbraw/zinc/54/83/37/569548337.db2.gz MDVPDNDALFXRFR-INIZCTEOSA-N 0 0 427.530 2.839 50 0 IFAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2)c1ccco1 ZINC000070638596 569549002 /nfs/dbraw/zinc/54/90/02/569549002.db2.gz XIDLCHLHZXINRE-UHFFFAOYSA-N 0 0 447.494 2.507 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)NCc4nc5ccccc5[nH]4)C3)ncn2)n1 ZINC000070638187 569549015 /nfs/dbraw/zinc/54/90/15/569549015.db2.gz CVCWLJOQEPLCKN-KRWDZBQOSA-N 0 0 430.516 2.688 50 0 IFAARN CCCN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000009584605 569549469 /nfs/dbraw/zinc/54/94/69/569549469.db2.gz QORAUDIWVWGKJK-UHFFFAOYSA-N 0 0 428.455 2.913 50 0 IFAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3cccc(N4CCCC4=O)c3)C2=O)cc1 ZINC000009585173 569549508 /nfs/dbraw/zinc/54/95/08/569549508.db2.gz MUTMTSCYANWURG-VWLOTQADSA-N 0 0 449.507 2.948 50 0 IFAARN O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009589545 569549932 /nfs/dbraw/zinc/54/99/32/569549932.db2.gz LFIKJTZOPMTQQB-UHFFFAOYSA-N 0 0 429.498 2.798 50 0 IFAARN Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)NCc3ccccc3OC(F)(F)F)n2)n1 ZINC000070655946 569550044 /nfs/dbraw/zinc/55/00/44/569550044.db2.gz BZQCIHFZUXZLRO-AWEZNQCLSA-N 0 0 435.406 2.822 50 0 IFAARN Cc1cc(C)n(-c2ccc(=O)n([C@H](C)C(=O)NCc3ccccc3OC(F)(F)F)n2)n1 ZINC000070655947 569550129 /nfs/dbraw/zinc/55/01/29/569550129.db2.gz BZQCIHFZUXZLRO-CQSZACIVSA-N 0 0 435.406 2.822 50 0 IFAARN CCOC(=O)C1=C(COC(=O)Cc2c(C)noc2C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000009591589 569550224 /nfs/dbraw/zinc/55/02/24/569550224.db2.gz RBXSHLRGPOUWOX-IBGZPJMESA-N 0 0 447.875 2.902 50 0 IFAARN Cc1noc(C)c1COc1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 ZINC000009594152 569550575 /nfs/dbraw/zinc/55/05/75/569550575.db2.gz CUJMYILZJKCRNR-HSZRJFAPSA-N 0 0 434.452 2.982 50 0 IFAARN COc1ccccc1CNC(=O)CSc1nc2c(cnn2-c2cccc(C)c2)c(=O)[nH]1 ZINC000009595019 569550719 /nfs/dbraw/zinc/55/07/19/569550719.db2.gz QTILDULVAFJZNU-UHFFFAOYSA-N 0 0 435.509 2.834 50 0 IFAARN O=S(=O)(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009596563 569550814 /nfs/dbraw/zinc/55/08/14/569550814.db2.gz QADXVKDTJNXELP-UHFFFAOYSA-N 0 0 434.514 2.674 50 0 IFAARN O=C(CSc1nnc(NC(=O)Cc2cccs2)s1)NCc1ccc2c(c1)OCO2 ZINC000009600173 569551410 /nfs/dbraw/zinc/55/14/10/569551410.db2.gz LZKSUGXNOSJKFZ-UHFFFAOYSA-N 0 0 448.551 2.918 50 0 IFAARN Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1 ZINC000009603252 569551751 /nfs/dbraw/zinc/55/17/51/569551751.db2.gz NCLZQVSVHIRMIW-QGZVFWFLSA-N 0 0 433.464 2.502 50 0 IFAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2NC1=O ZINC000009604280 569551881 /nfs/dbraw/zinc/55/18/81/569551881.db2.gz GDVDVTYDNFMOOB-CYBMUJFWSA-N 0 0 441.465 2.730 50 0 IFAARN COc1cc(NC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)cc(OC)c1 ZINC000009608570 569552155 /nfs/dbraw/zinc/55/21/55/569552155.db2.gz WDJAGLPEOKNODG-UHFFFAOYSA-N 0 0 432.278 2.941 50 0 IFAARN O=C(NC1CCCC1)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000009610546 569552593 /nfs/dbraw/zinc/55/25/93/569552593.db2.gz NCTODORRTVJEFZ-NRFANRHFSA-N 0 0 427.526 2.650 50 0 IFAARN CCCN(C(=O)COC(=O)c1cccnc1Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000009612916 569552979 /nfs/dbraw/zinc/55/29/79/569552979.db2.gz MHFDGRKXQKNAAG-HNNXBMFYSA-N 0 0 449.504 2.547 50 0 IFAARN CC[C@H](NC(=O)CN(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)c1ccc(C)cc1 ZINC000009613884 569553086 /nfs/dbraw/zinc/55/30/86/569553086.db2.gz OBSJXGWZGUUXHV-FQEVSTJZSA-N 0 0 449.555 2.569 50 0 IFAARN CCCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000009619247 569553367 /nfs/dbraw/zinc/55/33/67/569553367.db2.gz PISYXHYUTGDHDW-CQSZACIVSA-N 0 0 429.970 2.549 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000009631447 569553767 /nfs/dbraw/zinc/55/37/67/569553767.db2.gz WBFAMVOCVIQJOW-UHFFFAOYSA-N 0 0 447.601 2.988 50 0 IFAARN Cc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000009631994 569553870 /nfs/dbraw/zinc/55/38/70/569553870.db2.gz XLBFMQPCYBMQIT-UHFFFAOYSA-N 0 0 430.526 2.926 50 0 IFAARN C[C@@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009633131 569554165 /nfs/dbraw/zinc/55/41/65/569554165.db2.gz GUZKGVPNCOUIPI-CYBMUJFWSA-N 0 0 441.509 2.878 50 0 IFAARN COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnc(Cc2csc(C)n2)o1 ZINC000009633837 569554320 /nfs/dbraw/zinc/55/43/20/569554320.db2.gz UIVZROWFHROFDN-UHFFFAOYSA-N 0 0 440.528 2.935 50 0 IFAARN COc1ccc(C(=O)COC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c(OC)c1 ZINC000009634178 569554376 /nfs/dbraw/zinc/55/43/76/569554376.db2.gz CTTVLAXYHAWOEX-UHFFFAOYSA-N 0 0 428.466 2.770 50 0 IFAARN O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)NC(=O)NC1CCCCC1 ZINC000009634217 569554419 /nfs/dbraw/zinc/55/44/19/569554419.db2.gz WJBAUSQJKNXZKF-UHFFFAOYSA-N 0 0 448.479 2.701 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)C1 ZINC000009635050 569554582 /nfs/dbraw/zinc/55/45/82/569554582.db2.gz WTADAIOXZGONIQ-IAGOWNOFSA-N 0 0 433.574 2.837 50 0 IFAARN CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(C(F)(F)F)c2)CC1 ZINC000009635793 569554656 /nfs/dbraw/zinc/55/46/56/569554656.db2.gz KLXOKHGAAHMQPD-UHFFFAOYSA-N 0 0 435.450 2.737 50 0 IFAARN Cn1c2nc(OCc3ccco3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000009635805 569554691 /nfs/dbraw/zinc/55/46/91/569554691.db2.gz GNIVAXNOYAXVLO-UHFFFAOYSA-N 0 0 435.267 2.961 50 0 IFAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3cc(OC)cc(OC)c3)c2C(N)=O)C1 ZINC000009638875 569555047 /nfs/dbraw/zinc/55/50/47/569555047.db2.gz DQZYUHPIUJGTMD-UHFFFAOYSA-N 0 0 433.486 2.631 50 0 IFAARN COc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccccc3F)n2)cc1 ZINC000009641243 569555627 /nfs/dbraw/zinc/55/56/27/569555627.db2.gz QJFJPQWPLDSAGA-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN COc1ccc(NC(=O)CSc2nc(-c3cccc(OC)c3)nc3cc(=O)[nH]n32)cc1 ZINC000009641188 569555653 /nfs/dbraw/zinc/55/56/53/569555653.db2.gz SDEXRYNSULZSIN-UHFFFAOYSA-N 0 0 437.481 2.833 50 0 IFAARN COc1cc(OC)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000009646194 569556294 /nfs/dbraw/zinc/55/62/94/569556294.db2.gz JEGDMUPXDCJXTE-OAHLLOKOSA-N 0 0 434.514 2.894 50 0 IFAARN Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)n2n1 ZINC000009647353 569556435 /nfs/dbraw/zinc/55/64/35/569556435.db2.gz VXFHPEZEGSNUKO-WBVHZDCISA-N 0 0 444.582 2.797 50 0 IFAARN CCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc1 ZINC000009650552 569556507 /nfs/dbraw/zinc/55/65/07/569556507.db2.gz UASBYKLTFYEKSK-UHFFFAOYSA-N 0 0 433.511 2.747 50 0 IFAARN CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)nn1 ZINC000009650606 569556543 /nfs/dbraw/zinc/55/65/43/569556543.db2.gz DBTLWUWCCMPEGC-UHFFFAOYSA-N 0 0 433.511 2.747 50 0 IFAARN CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)CCc3ccccc3)cc2)nn1 ZINC000009650662 569556596 /nfs/dbraw/zinc/55/65/96/569556596.db2.gz FBIUKIFWIKRPEP-UHFFFAOYSA-N 0 0 431.539 2.922 50 0 IFAARN COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(F)c(Cl)c3)n2)cc1 ZINC000009661032 569557011 /nfs/dbraw/zinc/55/70/11/569557011.db2.gz XGQYCVDOMVINMQ-UHFFFAOYSA-N 0 0 437.880 2.690 50 0 IFAARN COC(=O)c1sc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)c(C(=O)OC)c1C ZINC000009664748 569557473 /nfs/dbraw/zinc/55/74/73/569557473.db2.gz IZLXRVOYTVUSRB-UHFFFAOYSA-N 0 0 444.465 2.835 50 0 IFAARN Cc1ccc(SCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009667760 569557862 /nfs/dbraw/zinc/55/78/62/569557862.db2.gz IZFIZNXTDXFUHJ-UHFFFAOYSA-N 0 0 434.583 2.846 50 0 IFAARN COc1ccccc1N1CCN(C(=O)COCC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000009668374 569557914 /nfs/dbraw/zinc/55/79/14/569557914.db2.gz XUHQXFXGCWYEFW-UHFFFAOYSA-N 0 0 431.920 2.961 50 0 IFAARN O=C(COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC(=O)Cc1ccccc1 ZINC000009670448 569558347 /nfs/dbraw/zinc/55/83/47/569558347.db2.gz JHUOFDAQNSCSOT-JOCHJYFZSA-N 0 0 444.487 2.977 50 0 IFAARN CSCC[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1nc2ccccc2[nH]1 ZINC000009670774 569558392 /nfs/dbraw/zinc/55/83/92/569558392.db2.gz ZVGGPZMYFWWKBM-INIZCTEOSA-N 0 0 429.546 2.728 50 0 IFAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000009671002 569558446 /nfs/dbraw/zinc/55/84/46/569558446.db2.gz UQXULVBDGABJNE-CQSZACIVSA-N 0 0 426.498 2.713 50 0 IFAARN COc1cc2c(C(=O)N3CCC4(CC3)OCCO4)cn(CC(C)C)c(=O)c2cc1OC ZINC000009673383 569558882 /nfs/dbraw/zinc/55/88/82/569558882.db2.gz IZKGNINZCDQEJI-UHFFFAOYSA-N 0 0 430.501 2.654 50 0 IFAARN Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCCCC2)O3)c1 ZINC000009683664 569560405 /nfs/dbraw/zinc/56/04/05/569560405.db2.gz CJAYWBLDORQONA-OAQYLSRUSA-N 0 0 430.526 2.972 50 0 IFAARN O=C(NC[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009684140 569560480 /nfs/dbraw/zinc/56/04/80/569560480.db2.gz FSBJRROORPUNRI-SFHVURJKSA-N 0 0 430.526 2.821 50 0 IFAARN COCCn1ccc2nc(C)c(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2c1=O ZINC000009686129 569560730 /nfs/dbraw/zinc/56/07/30/569560730.db2.gz CSZNJIGXUMJODM-UHFFFAOYSA-N 0 0 427.457 2.629 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cc3c(C)nn(CC(C)C)c3s2)NC(=O)N[C@@H]1C ZINC000009690600 569560935 /nfs/dbraw/zinc/56/09/35/569560935.db2.gz QLESZEAAIBTNAP-GFCCVEGCSA-N 0 0 434.518 2.738 50 0 IFAARN C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c1)c1ccccc1 ZINC000009690619 569560952 /nfs/dbraw/zinc/56/09/52/569560952.db2.gz JUQCAGUZUFNESL-INIZCTEOSA-N 0 0 448.508 2.954 50 0 IFAARN O=C(Nc1nccs1)[C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000009692359 569561031 /nfs/dbraw/zinc/56/10/31/569561031.db2.gz VCSWTVGNOIFHPT-AWEZNQCLSA-N 0 0 431.524 2.806 50 0 IFAARN COc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3cccc4nsnc43)sc2c1 ZINC000009692366 569561097 /nfs/dbraw/zinc/56/10/97/569561097.db2.gz RNUZMHNWWMFPBR-UHFFFAOYSA-N 0 0 449.539 2.569 50 0 IFAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc32)cc1Cl ZINC000009692557 569561152 /nfs/dbraw/zinc/56/11/52/569561152.db2.gz PASIQUWJPLSYDP-UHFFFAOYSA-N 0 0 426.907 2.613 50 0 IFAARN CCn1c(=O)c2cc(Br)ccc2n(CC(=O)Nc2ccc(OC)cc2)c1=O ZINC000009698389 569561184 /nfs/dbraw/zinc/56/11/84/569561184.db2.gz ZIQCFIINEXIVBI-UHFFFAOYSA-N 0 0 432.274 2.593 50 0 IFAARN Cc1ccc(CN2N=C(c3ccc(Cl)cc3)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000009707488 569561520 /nfs/dbraw/zinc/56/15/20/569561520.db2.gz IMUAVAZYTFGXJU-UHFFFAOYSA-N 0 0 448.914 2.820 50 0 IFAARN O=C(NCC1CCN(c2nc3ccccc3s2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000070900098 569562030 /nfs/dbraw/zinc/56/20/30/569562030.db2.gz AHVVOAPNKNPKQK-UHFFFAOYSA-N 0 0 438.509 2.996 50 0 IFAARN Cc1ccc(-n2ncc3c2nc(SCC(=O)NCc2ccc4c(c2)OCO4)[nH]c3=O)cc1 ZINC000009712349 569562235 /nfs/dbraw/zinc/56/22/35/569562235.db2.gz SCQSVJHVGOYIIT-UHFFFAOYSA-N 0 0 449.492 2.554 50 0 IFAARN CC(=O)[C@H](C)n1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccccc2)n(C)c1=O ZINC000009713205 569562464 /nfs/dbraw/zinc/56/24/64/569562464.db2.gz GQLJURMCIFTCAU-HNNXBMFYSA-N 0 0 427.464 2.956 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3OC)C2)cc1 ZINC000009715329 569563110 /nfs/dbraw/zinc/56/31/10/569563110.db2.gz QULPKINWQCUZCJ-HNNXBMFYSA-N 0 0 447.513 2.913 50 0 IFAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000070921340 569563350 /nfs/dbraw/zinc/56/33/50/569563350.db2.gz LPSAXYAOBXNRJB-UHFFFAOYSA-N 0 0 444.557 2.507 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)NCC3CCN(C(=O)c4ccncc4)CC3)CC2=O)cc1C ZINC000070926142 569563556 /nfs/dbraw/zinc/56/35/56/569563556.db2.gz RDZLEIAMPKTDSP-OAQYLSRUSA-N 0 0 434.540 2.720 50 0 IFAARN Cc1ccccc1-c1nnc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1C ZINC000009724070 569563648 /nfs/dbraw/zinc/56/36/48/569563648.db2.gz YBXXXWBVKFLOIF-KRWDZBQOSA-N 0 0 448.614 2.841 50 0 IFAARN C[C@H](NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O)c1cc2ccccc2o1 ZINC000009725058 569563759 /nfs/dbraw/zinc/56/37/59/569563759.db2.gz XPIZDGFZLPKVQY-ZDUSSCGKSA-N 0 0 425.466 2.705 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccc(Cl)c4)nc(C)n3n2)cc1 ZINC000009727970 569564138 /nfs/dbraw/zinc/56/41/38/569564138.db2.gz RQSXXXZTSFMLOZ-UHFFFAOYSA-N 0 0 437.887 2.845 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000009729482 569564257 /nfs/dbraw/zinc/56/42/57/569564257.db2.gz OMROKDBGHRSBJK-FQEVSTJZSA-N 0 0 427.526 2.679 50 0 IFAARN COc1ccc(OC)c(-c2csc(NC(=O)CCCN3C(=O)NC(C)(C)C3=O)n2)c1 ZINC000009729377 569564275 /nfs/dbraw/zinc/56/42/75/569564275.db2.gz NUTTVCSNJZDKTR-UHFFFAOYSA-N 0 0 432.502 2.876 50 0 IFAARN O=C(Nc1ccccc1N1CCCC1=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000009730363 569564450 /nfs/dbraw/zinc/56/44/50/569564450.db2.gz LYRZQGBKSHDCOJ-HNNXBMFYSA-N 0 0 433.555 2.914 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)Nc1ccc(F)cc1F ZINC000009741289 569565262 /nfs/dbraw/zinc/56/52/62/569565262.db2.gz SZHFIVFVUIABRR-FQEVSTJZSA-N 0 0 449.479 2.666 50 0 IFAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O ZINC000009741901 569565281 /nfs/dbraw/zinc/56/52/81/569565281.db2.gz FQHRCTLGOYJXGZ-UUOWRZLLSA-N 0 0 433.464 2.516 50 0 IFAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc(N4CCCC4=O)cc3)C2=O)cc1 ZINC000009741672 569565286 /nfs/dbraw/zinc/56/52/86/569565286.db2.gz RFBODDDXHXUCRG-RUZDIDTESA-N 0 0 449.507 2.948 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCc1cccs1 ZINC000009741961 569565295 /nfs/dbraw/zinc/56/52/95/569565295.db2.gz HBLCCWUEISWGBD-HXUWFJFHSA-N 0 0 447.582 2.517 50 0 IFAARN Cc1cccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 ZINC000009742966 569565432 /nfs/dbraw/zinc/56/54/32/569565432.db2.gz BXUUCOBFGDJFFR-IBGZPJMESA-N 0 0 429.542 2.683 50 0 IFAARN Cc1cccc(C)c1NC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009743494 569565502 /nfs/dbraw/zinc/56/55/02/569565502.db2.gz JIVAZZZDMNWWQU-IBGZPJMESA-N 0 0 443.569 2.992 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009743821 569565512 /nfs/dbraw/zinc/56/55/12/569565512.db2.gz FBYKGCBRUIRRKZ-LJQANCHMSA-N 0 0 447.532 2.822 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2C)cc1 ZINC000009745341 569565688 /nfs/dbraw/zinc/56/56/88/569565688.db2.gz MOJIFXDDTYKEOT-IBGZPJMESA-N 0 0 443.569 2.992 50 0 IFAARN O=C(NCc1nnc2ccccn21)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009746042 569565707 /nfs/dbraw/zinc/56/57/07/569565707.db2.gz GDBHEGLUUGUPHL-UHFFFAOYSA-N 0 0 449.536 2.600 50 0 IFAARN CCc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 ZINC000009746973 569565748 /nfs/dbraw/zinc/56/57/48/569565748.db2.gz SENPTZFJXSNMOI-GOSISDBHSA-N 0 0 449.598 2.999 50 0 IFAARN CCc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 ZINC000009746962 569565768 /nfs/dbraw/zinc/56/57/68/569565768.db2.gz SENPTZFJXSNMOI-SFHVURJKSA-N 0 0 449.598 2.999 50 0 IFAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC1CCCCCC1 ZINC000009746929 569565786 /nfs/dbraw/zinc/56/57/86/569565786.db2.gz KUVXQFFYPNKICU-KRWDZBQOSA-N 0 0 441.619 2.637 50 0 IFAARN COc1ccc(CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)C2CC2)cc1 ZINC000009751655 569566129 /nfs/dbraw/zinc/56/61/29/569566129.db2.gz DSSMETTWIQIGOL-HSZRJFAPSA-N 0 0 443.450 2.932 50 0 IFAARN COc1ccc(NC(=O)CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)cc1 ZINC000009761356 569566185 /nfs/dbraw/zinc/56/61/85/569566185.db2.gz FZIGHRIUSKTPAW-UHFFFAOYSA-N 0 0 425.466 2.743 50 0 IFAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)NCc1ccc(C)cc1 ZINC000009761913 569566375 /nfs/dbraw/zinc/56/63/75/569566375.db2.gz KEROTRJQGSAPFW-UHFFFAOYSA-N 0 0 439.443 2.552 50 0 IFAARN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(I)c2)C1=O ZINC000009762282 569566412 /nfs/dbraw/zinc/56/64/12/569566412.db2.gz PMRUOXWBOVSSJL-IZZDOVSWSA-N 0 0 433.223 2.596 50 0 IFAARN O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000009764415 569566752 /nfs/dbraw/zinc/56/67/52/569566752.db2.gz QZEHGZGOJBVJEV-HNNXBMFYSA-N 0 0 433.555 2.680 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccnn1Cc1cccs1 ZINC000009764509 569566792 /nfs/dbraw/zinc/56/67/92/569566792.db2.gz YSOUUVHPBYUYPQ-JOCHJYFZSA-N 0 0 435.509 2.715 50 0 IFAARN O=C(Cn1nnn(-c2ccccc2)c1=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000009783565 569567848 /nfs/dbraw/zinc/56/78/48/569567848.db2.gz XVEWISBBUIPNBJ-INIZCTEOSA-N 0 0 436.522 2.930 50 0 IFAARN Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)n1Cc1ccco1 ZINC000009790338 569568148 /nfs/dbraw/zinc/56/81/48/569568148.db2.gz LVUPGZYOBIQNOR-UHFFFAOYSA-N 0 0 443.525 2.575 50 0 IFAARN CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O ZINC000009789706 569568175 /nfs/dbraw/zinc/56/81/75/569568175.db2.gz SOFATFIXFYLAID-FQEVSTJZSA-N 0 0 433.917 2.980 50 0 IFAARN CCNC(=O)COC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000009792138 569568292 /nfs/dbraw/zinc/56/82/92/569568292.db2.gz NCELUQRPZWYSDL-UHFFFAOYSA-N 0 0 426.494 2.862 50 0 IFAARN O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009796058 569568425 /nfs/dbraw/zinc/56/84/25/569568425.db2.gz YLWCTVPRJLMTAY-UHFFFAOYSA-N 0 0 447.601 2.928 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000009797554 569568479 /nfs/dbraw/zinc/56/84/79/569568479.db2.gz RAOQTKGGYDBALG-UHFFFAOYSA-N 0 0 430.526 2.847 50 0 IFAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCC(=O)N1CCOCC1 ZINC000009799671 569568619 /nfs/dbraw/zinc/56/86/19/569568619.db2.gz RSKJLAZZLKVDSU-QHCPKHFHSA-N 0 0 437.496 2.662 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)cc1 ZINC000009804735 569568692 /nfs/dbraw/zinc/56/86/92/569568692.db2.gz ZMPRNGMTHUGQEM-AWEZNQCLSA-N 0 0 426.469 2.965 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000009806158 569568869 /nfs/dbraw/zinc/56/88/69/569568869.db2.gz SDKONTNGMVOVIL-IBGZPJMESA-N 0 0 429.542 2.520 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2c(C)cccc2C)cc1 ZINC000009806254 569568870 /nfs/dbraw/zinc/56/88/70/569568870.db2.gz FSAWJYYJBAHSAQ-SFHVURJKSA-N 0 0 429.542 2.520 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(F)cc2)c(C)c1 ZINC000009806384 569568873 /nfs/dbraw/zinc/56/88/73/569568873.db2.gz PVEHFMDYKOOIGP-IBGZPJMESA-N 0 0 447.532 2.659 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2Cl)cc1 ZINC000009806265 569568880 /nfs/dbraw/zinc/56/88/80/569568880.db2.gz IWKGFNBLLAJZIW-OAHLLOKOSA-N 0 0 435.933 2.556 50 0 IFAARN Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000009807146 569568989 /nfs/dbraw/zinc/56/89/89/569568989.db2.gz BBOCMWCCPBYSGM-LJQANCHMSA-N 0 0 429.542 2.520 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000009807131 569568991 /nfs/dbraw/zinc/56/89/91/569568991.db2.gz RYPMFIJYTXVMTN-LJQANCHMSA-N 0 0 429.542 2.520 50 0 IFAARN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000009807469 569568997 /nfs/dbraw/zinc/56/89/97/569568997.db2.gz PIKXSJFHZNOILO-LJQANCHMSA-N 0 0 443.569 2.828 50 0 IFAARN CC(C)S(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccccc3S(C)(=O)=O)o2)c1 ZINC000009815043 569569163 /nfs/dbraw/zinc/56/91/63/569569163.db2.gz XBGUBZXPRRPKCR-UHFFFAOYSA-N 0 0 449.510 2.575 50 0 IFAARN COc1cccc(CNC(=O)c2cn(C)c3c2[nH]c(=O)n(-c2ccc(Cl)cc2)c3=O)c1 ZINC000009820079 569569376 /nfs/dbraw/zinc/56/93/76/569569376.db2.gz GYYRKSKOWKXRLX-UHFFFAOYSA-N 0 0 438.871 2.610 50 0 IFAARN CCOC(=O)N1CCN(C(=O)COC(=O)c2ccccc2OCc2ccc(F)cc2)CC1 ZINC000009820034 569569410 /nfs/dbraw/zinc/56/94/10/569569410.db2.gz FUGASEWIYXTVBK-UHFFFAOYSA-N 0 0 444.459 2.862 50 0 IFAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000009819795 569569413 /nfs/dbraw/zinc/56/94/13/569569413.db2.gz UBTSHXMUWKPFQD-HNNXBMFYSA-N 0 0 442.522 2.916 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)c2cn(C)c3c2[nH]c(=O)n(-c2ccc(C)cc2)c3=O)c1 ZINC000009821131 569569456 /nfs/dbraw/zinc/56/94/56/569569456.db2.gz NANWUKDCDWNMDP-UHFFFAOYSA-N 0 0 431.452 2.537 50 0 IFAARN CC(C)NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000009827450 569569652 /nfs/dbraw/zinc/56/96/52/569569652.db2.gz VJUBCAMJWVDYRI-UHFFFAOYSA-N 0 0 430.452 2.650 50 0 IFAARN COc1ccc(-n2c(C)cn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1 ZINC000009829390 569570058 /nfs/dbraw/zinc/57/00/58/569570058.db2.gz CXKPSJJLULPIMW-UHFFFAOYSA-N 0 0 429.480 2.812 50 0 IFAARN COc1ccc(-n2c(C)cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1 ZINC000009829391 569570079 /nfs/dbraw/zinc/57/00/79/569570079.db2.gz LMSIXEIKSDZLRU-UHFFFAOYSA-N 0 0 429.480 2.698 50 0 IFAARN COc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c(OC)c1 ZINC000009829485 569570107 /nfs/dbraw/zinc/57/01/07/569570107.db2.gz PFCDQGAQALVJFG-UHFFFAOYSA-N 0 0 439.516 2.819 50 0 IFAARN CCn1c(CCC(=O)Nc2ccc3oc(C)nc3c2)nc2cc(S(N)(=O)=O)ccc21 ZINC000009835033 569570656 /nfs/dbraw/zinc/57/06/56/569570656.db2.gz XXQFCQBZOXUGQU-UHFFFAOYSA-N 0 0 427.486 2.725 50 0 IFAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000009836432 569570717 /nfs/dbraw/zinc/57/07/17/569570717.db2.gz KUBVHAFDEJOQSE-UHFFFAOYSA-N 0 0 433.508 2.994 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(F)cc3F)n2)cc1 ZINC000009844809 569570934 /nfs/dbraw/zinc/57/09/34/569570934.db2.gz OXZPSUIHXKMCFH-UHFFFAOYSA-N 0 0 435.452 2.566 50 0 IFAARN COc1ccc(F)cc1S(=O)(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000009844662 569570974 /nfs/dbraw/zinc/57/09/74/569570974.db2.gz CXTDYPZWJLYGHW-UHFFFAOYSA-N 0 0 437.880 2.690 50 0 IFAARN CCS(=O)(=O)n1nc(NCc2ccc(OC)cc2)nc1NCc1ccc(OC)cc1 ZINC000009847037 569571047 /nfs/dbraw/zinc/57/10/47/569571047.db2.gz SMVWXTXLVYNCER-UHFFFAOYSA-N 0 0 431.518 2.717 50 0 IFAARN CCS(=O)(=O)n1nc(NCc2ccccc2OC)nc1NCc1ccccc1OC ZINC000009847070 569571068 /nfs/dbraw/zinc/57/10/68/569571068.db2.gz ZLODQDVUWMZRDT-UHFFFAOYSA-N 0 0 431.518 2.717 50 0 IFAARN CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(OC)cc3)nn2)cc1 ZINC000009852996 569571478 /nfs/dbraw/zinc/57/14/78/569571478.db2.gz GUPODOQQFNEADL-UHFFFAOYSA-N 0 0 429.498 2.908 50 0 IFAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)cc2oc1=O ZINC000009856259 569571595 /nfs/dbraw/zinc/57/15/95/569571595.db2.gz TUPRJFBFIGCQFQ-QGZVFWFLSA-N 0 0 447.557 2.539 50 0 IFAARN COc1ccc(CNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1 ZINC000009860651 569571863 /nfs/dbraw/zinc/57/18/63/569571863.db2.gz WNHFMEKWPYEYQQ-RTBURBONSA-N 0 0 445.566 2.614 50 0 IFAARN Cc1cccc(CCNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)c1 ZINC000009860697 569571875 /nfs/dbraw/zinc/57/18/75/569571875.db2.gz DHGASWJTXWJWCY-UXHICEINSA-N 0 0 443.594 2.956 50 0 IFAARN O=C(Nc1ccccc1N1CCCC1=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000009885490 569572887 /nfs/dbraw/zinc/57/28/87/569572887.db2.gz PLVICBXVZOHLST-QGZVFWFLSA-N 0 0 443.525 2.523 50 0 IFAARN Nc1nc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)nc(Nc2ccccc2)n1 ZINC000009912534 569573275 /nfs/dbraw/zinc/57/32/75/569573275.db2.gz MXHFJUCMGVTYLO-UHFFFAOYSA-N 0 0 443.558 2.669 50 0 IFAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c(OC)c1OC ZINC000071279364 569573528 /nfs/dbraw/zinc/57/35/28/569573528.db2.gz XMZWSMXFORVFRV-JSGCOSHPSA-N 0 0 435.502 2.701 50 0 IFAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c(OC)c1OC ZINC000071279362 569573530 /nfs/dbraw/zinc/57/35/30/569573530.db2.gz XMZWSMXFORVFRV-GXTWGEPZSA-N 0 0 435.502 2.701 50 0 IFAARN COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2C)[NH+]2CCCC2)cc1 ZINC000071281991 569573657 /nfs/dbraw/zinc/57/36/57/569573657.db2.gz ZCOCTWZTJKOCNB-FQEVSTJZSA-N 0 0 425.485 2.594 50 0 IFAARN O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)N1CCc2ccccc21 ZINC000009949163 569574204 /nfs/dbraw/zinc/57/42/04/569574204.db2.gz HXZBAARTROLCJM-UHFFFAOYSA-N 0 0 435.553 2.844 50 0 IFAARN O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000009950116 569574314 /nfs/dbraw/zinc/57/43/14/569574314.db2.gz OVSPIPMXTLNLID-UHFFFAOYSA-N 0 0 438.509 2.867 50 0 IFAARN C[C@H](NC(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1cc2ccccc2o1 ZINC000009951814 569574511 /nfs/dbraw/zinc/57/45/11/569574511.db2.gz CQGFNRHQUNATHP-STQMWFEESA-N 0 0 435.527 2.763 50 0 IFAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000009952867 569574645 /nfs/dbraw/zinc/57/46/45/569574645.db2.gz SDNVAWXYXWMJBA-ZDUSSCGKSA-N 0 0 426.589 2.584 50 0 IFAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)OCc1cc(=O)n2ccsc2n1 ZINC000009958406 569574894 /nfs/dbraw/zinc/57/48/94/569574894.db2.gz HXRJKWZGKIEENO-UHFFFAOYSA-N 0 0 442.522 2.609 50 0 IFAARN CSc1ccc([C@H]2NC(=O)N(CC(=O)NCc3ccc(F)cc3)C3=C2C(=O)OC3)cc1 ZINC000071326864 569575035 /nfs/dbraw/zinc/57/50/35/569575035.db2.gz POFWVTZYCZVICQ-HXUWFJFHSA-N 0 0 441.484 2.741 50 0 IFAARN COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(OC)cc3OC)c2C)cc1 ZINC000071327026 569575053 /nfs/dbraw/zinc/57/50/53/569575053.db2.gz GPBLQXNYOLMSPZ-UHFFFAOYSA-N 0 0 425.445 2.503 50 0 IFAARN COc1cc2nc(SCc3ccc(N4CCCC4=O)cc3)n(N)c(=O)c2cc1OC ZINC000071327771 569575359 /nfs/dbraw/zinc/57/53/59/569575359.db2.gz VHUZAEDEZPLMDP-UHFFFAOYSA-N 0 0 426.498 2.547 50 0 IFAARN Cc1cccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c1 ZINC000071328344 569575541 /nfs/dbraw/zinc/57/55/41/569575541.db2.gz MAEJKBRFDQCXND-UHFFFAOYSA-N 0 0 433.424 2.739 50 0 IFAARN COc1ccccc1CCC(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000009961314 569575567 /nfs/dbraw/zinc/57/55/67/569575567.db2.gz IDDZEADARMXENE-MRXNPFEDSA-N 0 0 448.541 2.885 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000009961805 569575616 /nfs/dbraw/zinc/57/56/16/569575616.db2.gz AWUGASRXTURFDY-UHFFFAOYSA-N 0 0 444.962 2.779 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000009969260 569576011 /nfs/dbraw/zinc/57/60/11/569576011.db2.gz KVCNAGMPDZBJBN-HXUWFJFHSA-N 0 0 444.509 2.730 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(F)c3)c(=O)n2[C@H]1c1cccs1 ZINC000009971315 569576251 /nfs/dbraw/zinc/57/62/51/569576251.db2.gz XDEQSYRLARYLGC-FYXHJSOBSA-N 0 0 428.510 2.999 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc1 ZINC000009974517 569576382 /nfs/dbraw/zinc/57/63/82/569576382.db2.gz QMDYAHKJMJHKPJ-LJQANCHMSA-N 0 0 446.569 2.772 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1C ZINC000009974557 569576464 /nfs/dbraw/zinc/57/64/64/569576464.db2.gz MTVJNRDEMCCTTD-OAHLLOKOSA-N 0 0 432.498 2.772 50 0 IFAARN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3cn(C)c4ccccc34)ccc21 ZINC000009981759 569576482 /nfs/dbraw/zinc/57/64/82/569576482.db2.gz DSLQUFIVDNUWHZ-UHFFFAOYSA-N 0 0 426.494 2.930 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000009985836 569576741 /nfs/dbraw/zinc/57/67/41/569576741.db2.gz KLSFQGVYZFHXFF-UHFFFAOYSA-N 0 0 439.896 2.617 50 0 IFAARN CCCn1c(C)cc(C(=O)COC(=O)CSc2ncc(C(=O)OCC)c(N)n2)c1C ZINC000009988452 569576832 /nfs/dbraw/zinc/57/68/32/569576832.db2.gz QABOHBJMPBATKW-UHFFFAOYSA-N 0 0 434.518 2.582 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cc2c(s1)CCCC2 ZINC000009992430 569576897 /nfs/dbraw/zinc/57/68/97/569576897.db2.gz IQPCIFCTHHHFKH-UHFFFAOYSA-N 0 0 426.585 2.639 50 0 IFAARN Cc1ccc(Sc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1C ZINC000010021771 569577216 /nfs/dbraw/zinc/57/72/16/569577216.db2.gz ZDSVWWXGIMYRIW-UHFFFAOYSA-N 0 0 449.536 2.840 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 ZINC000010022919 569577278 /nfs/dbraw/zinc/57/72/78/569577278.db2.gz TWEPDOUGUAVDIC-VXGBXAGGSA-N 0 0 436.559 2.532 50 0 IFAARN COc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc(Cl)c1OCC(N)=O ZINC000010034759 569577332 /nfs/dbraw/zinc/57/73/32/569577332.db2.gz UZHRVWWSYQJEAM-MRXNPFEDSA-N 0 0 446.887 2.961 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000010095730 569577762 /nfs/dbraw/zinc/57/77/62/569577762.db2.gz KDXZLNKKTULWJM-UHFFFAOYSA-N 0 0 447.435 2.727 50 0 IFAARN Cc1nc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)s1 ZINC000010143611 569578103 /nfs/dbraw/zinc/57/81/03/569578103.db2.gz BPUNQWNWMGWGAC-GFCCVEGCSA-N 0 0 425.532 2.631 50 0 IFAARN COCCn1c(C)cc2c(c1=O)[C@H](c1ccc(Cl)cc1Cl)C(C(=O)OC)=C(N)O2 ZINC000010166048 569578157 /nfs/dbraw/zinc/57/81/57/569578157.db2.gz DIYCEQIDQSUAHA-HNNXBMFYSA-N 0 0 439.295 2.978 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2N)cc1 ZINC000010186305 569578364 /nfs/dbraw/zinc/57/83/64/569578364.db2.gz FPOKBWMOTTWACV-UHFFFAOYSA-N 0 0 427.486 2.575 50 0 IFAARN O=C(Nc1nc2cc3c(cc2s1)OCO3)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000010187074 569578531 /nfs/dbraw/zinc/57/85/31/569578531.db2.gz XEVASDVJDMSGFK-LLVKDONJSA-N 0 0 437.524 2.878 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1 ZINC000010187872 569578759 /nfs/dbraw/zinc/57/87/59/569578759.db2.gz AWYQLOVWXSESFA-UHFFFAOYSA-N 0 0 435.864 2.589 50 0 IFAARN Cc1ccc(Nc2nnc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)s2)cc1C ZINC000010212269 569579002 /nfs/dbraw/zinc/57/90/02/569579002.db2.gz RJGSYYGJOOJXSH-CQSZACIVSA-N 0 0 426.589 2.636 50 0 IFAARN COc1ccccc1[C@@H](C)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000010213436 569579041 /nfs/dbraw/zinc/57/90/41/569579041.db2.gz LJYBNPVMCIEQQV-MRXNPFEDSA-N 0 0 448.541 2.792 50 0 IFAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cc(S(C)(=O)=O)ccc2C)n1 ZINC000010243384 569579743 /nfs/dbraw/zinc/57/97/43/569579743.db2.gz LWADTJPBENOTMC-UHFFFAOYSA-N 0 0 427.486 2.575 50 0 IFAARN COc1ccc(CC(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1OC ZINC000010252132 569579883 /nfs/dbraw/zinc/57/98/83/569579883.db2.gz DBFLSIPJLNVOCI-UHFFFAOYSA-N 0 0 433.468 2.529 50 0 IFAARN CCS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000010253132 569579894 /nfs/dbraw/zinc/57/98/94/569579894.db2.gz OZIXKDVIENQTON-UHFFFAOYSA-N 0 0 429.567 2.981 50 0 IFAARN CS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nc4c(cccc4F)s3)CC2)cc1 ZINC000010252873 569579933 /nfs/dbraw/zinc/57/99/33/569579933.db2.gz SKQCPRVAISYICA-UHFFFAOYSA-N 0 0 433.530 2.730 50 0 IFAARN COc1cc(Br)c(CC(=O)N2CCN(c3nccs3)CC2)cc1OC ZINC000010270248 569579999 /nfs/dbraw/zinc/57/99/99/569579999.db2.gz FGIHOJXWEHJIIG-UHFFFAOYSA-N 0 0 426.336 2.814 50 0 IFAARN COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(CCc2ccccc2)c(=O)n1C ZINC000010272347 569580157 /nfs/dbraw/zinc/58/01/57/569580157.db2.gz SIWFYKXCCNDKJG-UHFFFAOYSA-N 0 0 431.496 2.608 50 0 IFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc3c(c2)CCCC3)NC(=O)N[C@@H]1c1ccccc1 ZINC000010273529 569580285 /nfs/dbraw/zinc/58/02/85/569580285.db2.gz GSOFXFMETUMHQS-OAQYLSRUSA-N 0 0 440.521 2.820 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)n(CCCO)c2c1CCCC2 ZINC000010275754 569580409 /nfs/dbraw/zinc/58/04/09/569580409.db2.gz XUYPGDMUUJYJLU-UHFFFAOYSA-N 0 0 437.949 2.897 50 0 IFAARN Cn1c(SCC(=O)NCCc2ccc3c(c2)OCCO3)nnc1-c1ccccc1F ZINC000010281096 569580481 /nfs/dbraw/zinc/58/04/81/569580481.db2.gz NGSORNKUFGBIQZ-UHFFFAOYSA-N 0 0 428.489 2.843 50 0 IFAARN CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(OC)cc4OC)c3)nc2)n1 ZINC000071768343 569580704 /nfs/dbraw/zinc/58/07/04/569580704.db2.gz FPSPKTRCKGKYGR-UHFFFAOYSA-N 0 0 434.456 2.827 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)c1cn(-c2cc(-c3nc(C4CC4)no3)ccn2)cn1 ZINC000071768429 569580711 /nfs/dbraw/zinc/58/07/11/569580711.db2.gz FJGRPDMAHGUSBA-UHFFFAOYSA-N 0 0 430.424 2.853 50 0 IFAARN CC(=O)c1ccc(N2CCN(c3ncc(C(=O)NCc4ccccc4)c(N)n3)CC2)cc1 ZINC000071772177 569580930 /nfs/dbraw/zinc/58/09/30/569580930.db2.gz HBZYKGMKYMMAPL-UHFFFAOYSA-N 0 0 430.512 2.518 50 0 IFAARN COc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c2nccn2C)cc1 ZINC000010322950 569580982 /nfs/dbraw/zinc/58/09/82/569580982.db2.gz YAGWXHBQVHQJJW-HXUWFJFHSA-N 0 0 442.541 2.635 50 0 IFAARN NC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000010337532 569581319 /nfs/dbraw/zinc/58/13/19/569581319.db2.gz FKUCLCPCXGIKBK-UHFFFAOYSA-N 0 0 427.935 2.540 50 0 IFAARN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000010375594 569581542 /nfs/dbraw/zinc/58/15/42/569581542.db2.gz NBCCZTWKXSANAH-UHFFFAOYSA-N 0 0 436.917 2.694 50 0 IFAARN O=C(c1cccnc1SC(F)F)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000010375619 569581556 /nfs/dbraw/zinc/58/15/56/569581556.db2.gz FQXDSWKADTWHAK-UHFFFAOYSA-N 0 0 427.498 2.979 50 0 IFAARN COc1cc(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)ccc1NC(=O)OC(C)(C)C ZINC000071808631 569581790 /nfs/dbraw/zinc/58/17/90/569581790.db2.gz XBCDQPHAPWJSEG-CQSZACIVSA-N 0 0 442.538 2.588 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2cc(Cl)ccc2oc1=O ZINC000010386842 569581800 /nfs/dbraw/zinc/58/18/00/569581800.db2.gz DLRUXIGYVMEZRG-UHFFFAOYSA-N 0 0 448.884 2.720 50 0 IFAARN COc1cc(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)ccc1NC(=O)OC(C)(C)C ZINC000071808630 569581813 /nfs/dbraw/zinc/58/18/13/569581813.db2.gz XBCDQPHAPWJSEG-AWEZNQCLSA-N 0 0 442.538 2.588 50 0 IFAARN CCN(Cc1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010430574 569582053 /nfs/dbraw/zinc/58/20/53/569582053.db2.gz BEWMCSWVHJDVFL-UHFFFAOYSA-N 0 0 429.318 2.956 50 0 IFAARN O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000071830326 569582069 /nfs/dbraw/zinc/58/20/69/569582069.db2.gz BJJGGWIDCVGKOP-NQHRYMMQSA-N 0 0 448.567 2.848 50 0 IFAARN COc1ccc(NC(=O)CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)c(OC)c1 ZINC000010433741 569582137 /nfs/dbraw/zinc/58/21/37/569582137.db2.gz DAPBVOCMOOITLX-UHFFFAOYSA-N 0 0 447.557 2.712 50 0 IFAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N[C@H](C)C(=O)N1CCOCC1 ZINC000071841880 569582232 /nfs/dbraw/zinc/58/22/32/569582232.db2.gz NJMYVOVTUHOBAE-CQSZACIVSA-N 0 0 432.318 2.797 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000010454741 569582328 /nfs/dbraw/zinc/58/23/28/569582328.db2.gz VSNDREQRWYBTAQ-CQSZACIVSA-N 0 0 434.514 2.958 50 0 IFAARN COc1cccc(-c2nc(COC(=O)c3cc(S(N)(=O)=O)ccc3OC)cs2)c1 ZINC000010455695 569582349 /nfs/dbraw/zinc/58/23/49/569582349.db2.gz BIKKTMCVUCNFSS-UHFFFAOYSA-N 0 0 434.495 2.832 50 0 IFAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)C(C)C)cc1 ZINC000010454597 569582355 /nfs/dbraw/zinc/58/23/55/569582355.db2.gz WEVKJWUCKBEFBM-QFIPXVFZSA-N 0 0 443.569 2.741 50 0 IFAARN CC(C)N(C)C(=O)c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 ZINC000071850219 569582409 /nfs/dbraw/zinc/58/24/09/569582409.db2.gz XMLXXADDVJQEDG-GOSISDBHSA-N 0 0 449.598 2.698 50 0 IFAARN Cc1sc2nc(COC(=O)c3sccc3S(=O)(=O)NC3CC3)nc(N)c2c1C ZINC000010489031 569582502 /nfs/dbraw/zinc/58/25/02/569582502.db2.gz UYAFVSFGVFFOSK-UHFFFAOYSA-N 0 0 438.556 2.750 50 0 IFAARN CCn1c2ccccc2n(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)c1=O ZINC000010494484 569582571 /nfs/dbraw/zinc/58/25/71/569582571.db2.gz RNQBXCQTXQSSMF-UHFFFAOYSA-N 0 0 444.557 2.719 50 0 IFAARN COC(=O)c1nc(NC(=O)C[C@H]2NC(=O)c3ccccc32)sc1CCc1ccccc1 ZINC000072403871 569583749 /nfs/dbraw/zinc/58/37/49/569583749.db2.gz OTPDCZCMNAWRLB-QGZVFWFLSA-N 0 0 435.505 3.528 50 0 IFAARN COC(=O)c1nc(NC(=O)c2nn(C)c(=O)c3ccccc32)sc1-c1cccc(F)c1 ZINC000072406151 569583813 /nfs/dbraw/zinc/58/38/13/569583813.db2.gz BBALVTAFLUGRFX-UHFFFAOYSA-N 0 0 438.440 3.235 50 0 IFAARN Cn1cc(CC(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)c2ccccc21 ZINC000077154567 569585725 /nfs/dbraw/zinc/58/57/25/569585725.db2.gz REEGTZMTDRCUMM-UHFFFAOYSA-N 0 0 430.555 2.666 50 0 IFAARN O=C(CN1CCN(CCn2ccnc2-c2ccccc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000077159463 569585823 /nfs/dbraw/zinc/58/58/23/569585823.db2.gz HSTCJBDBVLYIAK-UHFFFAOYSA-N 0 0 433.512 2.535 50 0 IFAARN CNC(=O)c1cccc(-c2noc(C3CN(C(=O)Nc4cccc(OC)c4OC)C3)n2)c1 ZINC000077191202 569585889 /nfs/dbraw/zinc/58/58/89/569585889.db2.gz QSMRUMRUNXFQPH-UHFFFAOYSA-N 0 0 437.456 2.745 50 0 IFAARN COc1ccc(C)cc1S(=O)(=O)N1CCc2nc(NC(=O)c3cc(C)on3)sc2C1 ZINC000077196490 569586061 /nfs/dbraw/zinc/58/60/61/569586061.db2.gz QZMUTZMCNMPLJD-UHFFFAOYSA-N 0 0 448.526 2.756 50 0 IFAARN Cc1c(Cl)cccc1S(=O)(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O ZINC000077198180 569586278 /nfs/dbraw/zinc/58/62/78/569586278.db2.gz IVEXNUSJRMQVFZ-UHFFFAOYSA-N 0 0 432.933 2.852 50 0 IFAARN O=C(CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1)NCCc1cccc2cccnc21 ZINC000078282190 569586594 /nfs/dbraw/zinc/58/65/94/569586594.db2.gz QDBKIQGXOHLCLW-UHFFFAOYSA-N 0 0 438.478 2.630 50 0 IFAARN CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(F)c4)c(C)c3)nc2)CC1 ZINC000116933276 569587218 /nfs/dbraw/zinc/58/72/18/569587218.db2.gz AXXNRMISICMFNS-UHFFFAOYSA-N 0 0 448.502 2.836 50 0 IFAARN CCn1nc(C)c2ccnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)c21 ZINC000033299101 569587486 /nfs/dbraw/zinc/58/74/86/569587486.db2.gz GNTRGKRMSCSCCV-UHFFFAOYSA-N 0 0 433.560 2.720 50 0 IFAARN CCOC(=O)CCC(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@@H]1C ZINC000037356689 569587992 /nfs/dbraw/zinc/58/79/92/569587992.db2.gz RXOSXSTXFLTJIO-AWEZNQCLSA-N 0 0 434.443 2.928 50 0 IFAARN O=C(OCc1ccccc1)N1CCN(c2ccc(N3C[C@H](CO)OC3=O)cc2F)CC1 ZINC000039107513 569588127 /nfs/dbraw/zinc/58/81/27/569588127.db2.gz UAQQNGDRKHDFAO-GOSISDBHSA-N 0 0 429.448 2.602 50 0 IFAARN NS(=O)(=O)c1ccc(N[C@H]2SC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000006148154 193885250 /nfs/dbraw/zinc/88/52/50/193885250.db2.gz CNCCJBLOTMXAHN-ZDUSSCGKSA-N 0 0 431.417 2.991 50 0 IFAARN O=C(/C=C/c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000006191249 193889597 /nfs/dbraw/zinc/88/95/97/193889597.db2.gz YOZIVXRZILRKJU-VAWYXSNFSA-N 0 0 425.485 2.920 50 0 IFAARN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1nc2ccccc2[nH]1 ZINC000006173445 193888198 /nfs/dbraw/zinc/88/81/98/193888198.db2.gz KZQPUBYYRUBTEP-ZDUSSCGKSA-N 0 0 448.932 2.728 50 0 IFAARN COc1ccc(NC(=O)c2cccc(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)c(OC)c1 ZINC000009860290 193910588 /nfs/dbraw/zinc/91/05/88/193910588.db2.gz VKCGUNGZMOQCOU-FUHWJXTLSA-N 0 0 447.538 2.636 50 0 IFAARN O=C(CN1CCOCC1)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000019772692 193918090 /nfs/dbraw/zinc/91/80/90/193918090.db2.gz QRSFJETWRUTZDF-NRFANRHFSA-N 0 0 444.329 2.651 50 0 IFAARN O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)NCc1ccc(F)c(Cl)c1 ZINC000051316933 193923961 /nfs/dbraw/zinc/92/39/61/193923961.db2.gz DHUMDHNQFHPMEQ-UHFFFAOYSA-N 0 0 429.814 2.806 50 0 IFAARN Cc1ccc(OCCN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)cc1 ZINC000055098764 193935522 /nfs/dbraw/zinc/93/55/22/193935522.db2.gz PXODAGOJRKGWBU-HXUWFJFHSA-N 0 0 431.483 2.501 50 0 IFAARN Cc1ccccc1OC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)CC1 ZINC000055100049 193936284 /nfs/dbraw/zinc/93/62/84/193936284.db2.gz RKTLWFWAJSSQHQ-QFIPXVFZSA-N 0 0 439.531 2.895 50 0 IFAARN CCOc1ccc(N([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 ZINC000000916319 132233961 /nfs/dbraw/zinc/23/39/61/132233961.db2.gz JAHKVUSIQWXOKS-QGZVFWFLSA-N 0 0 449.548 2.728 50 0 IFAARN O=C(Nc1cc(N2CCOCC2)ncn1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000000958994 132236278 /nfs/dbraw/zinc/23/62/78/132236278.db2.gz LTDAZLUZQYJTMB-KRWDZBQOSA-N 0 0 445.785 2.776 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 ZINC000000982871 132236574 /nfs/dbraw/zinc/23/65/74/132236574.db2.gz PBHUREUFOBMESN-UHFFFAOYSA-N 0 0 439.940 2.902 50 0 IFAARN CC(C)(C)NC(=O)Nc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)s1 ZINC000009708761 132237088 /nfs/dbraw/zinc/23/70/88/132237088.db2.gz YWGVYIWQKLBMCV-UHFFFAOYSA-N 0 0 434.591 2.899 50 0 IFAARN Cc1cccc(-n2ncc3c2ncn(CC(=O)N2CCN(c4ccccc4)CC2)c3=O)c1C ZINC000009829666 132241628 /nfs/dbraw/zinc/24/16/28/132241628.db2.gz DGZITZJTRMWCKZ-UHFFFAOYSA-N 0 0 442.523 2.548 50 0 IFAARN COc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000009850110 132241808 /nfs/dbraw/zinc/24/18/08/132241808.db2.gz MQHZFHNPRSSWBK-UHFFFAOYSA-N 0 0 449.902 2.835 50 0 IFAARN COc1cccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)c1 ZINC000009850685 132242066 /nfs/dbraw/zinc/24/20/66/132242066.db2.gz CIVOHMWKSWLHKJ-UHFFFAOYSA-N 0 0 443.511 2.798 50 0 IFAARN COc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000009850118 132242075 /nfs/dbraw/zinc/24/20/75/132242075.db2.gz WOBFARBNRXAZGY-UHFFFAOYSA-N 0 0 449.902 2.835 50 0 IFAARN COc1cccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000009850816 132242097 /nfs/dbraw/zinc/24/20/97/132242097.db2.gz QDMLNIHUACOZSI-UHFFFAOYSA-N 0 0 449.902 2.835 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N1CCCc2ccccc21 ZINC000009952523 132242526 /nfs/dbraw/zinc/24/25/26/132242526.db2.gz UOUXLNWWMKWPEM-UHFFFAOYSA-N 0 0 430.555 2.775 50 0 IFAARN COc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCc2ccccc2)c4=O)cc1 ZINC000002406990 132253913 /nfs/dbraw/zinc/25/39/13/132253913.db2.gz ILXXNBNMMSTRRC-KRWDZBQOSA-N 0 0 445.523 2.936 50 0 IFAARN O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1nnc(C(F)(F)F)s1 ZINC000002405223 132254010 /nfs/dbraw/zinc/25/40/10/132254010.db2.gz NCSWRMZGBRUNSS-UHFFFAOYSA-N 0 0 431.415 2.764 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(N2CCCCC2)cc1 ZINC000003281300 132263118 /nfs/dbraw/zinc/26/31/18/132263118.db2.gz FPIZFXBGTCBDEP-XMMPIXPASA-N 0 0 434.496 2.845 50 0 IFAARN CN(CC(=O)N1CCN(c2ccccc2Cl)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003314141 132263661 /nfs/dbraw/zinc/26/36/61/132263661.db2.gz CFEPGQMOEHSHBI-UHFFFAOYSA-N 0 0 442.368 2.963 50 0 IFAARN C[C@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)N1CCCc2ccccc21 ZINC000003310719 132263697 /nfs/dbraw/zinc/26/36/97/132263697.db2.gz UQIXBHQIEDKNCD-LBPRGKRZSA-N 0 0 435.274 2.683 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000003325053 132263943 /nfs/dbraw/zinc/26/39/43/132263943.db2.gz SSZLACGSAYTGCZ-UHFFFAOYSA-N 0 0 437.562 2.637 50 0 IFAARN O=C(Nc1ccccc1N1CCOCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000003428251 132265409 /nfs/dbraw/zinc/26/54/09/132265409.db2.gz YCCYILKGZCAPLZ-NRFANRHFSA-N 0 0 429.542 2.705 50 0 IFAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O ZINC000003595015 132266372 /nfs/dbraw/zinc/26/63/72/132266372.db2.gz FPFHVRKHIZXOBF-FQEVSTJZSA-N 0 0 447.278 2.746 50 0 IFAARN O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccn2)CC1 ZINC000004034827 132268918 /nfs/dbraw/zinc/26/89/18/132268918.db2.gz OGUHZBZEVODPDF-UHFFFAOYSA-N 0 0 436.537 2.523 50 0 IFAARN CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1ccncc1 ZINC000004302063 132271417 /nfs/dbraw/zinc/27/14/17/132271417.db2.gz JZQMVTHPOQUPLY-UHFFFAOYSA-N 0 0 426.521 2.940 50 0 IFAARN O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)N1CCN(c2ccccc2)CC1 ZINC000004763711 132273615 /nfs/dbraw/zinc/27/36/15/132273615.db2.gz PYYXKKOKYLWDHM-UHFFFAOYSA-N 0 0 446.532 2.632 50 0 IFAARN COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000004904448 132274609 /nfs/dbraw/zinc/27/46/09/132274609.db2.gz BUFCPRXIOQWNNG-QFIPXVFZSA-N 0 0 425.485 2.554 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2N1C(=O)C1CC1 ZINC000006866504 132279842 /nfs/dbraw/zinc/27/98/42/132279842.db2.gz KOVRJJLJYOUINC-QGZVFWFLSA-N 0 0 425.554 2.885 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2)[C@@](C)(C(=O)NC2CCCCCC2)C1 ZINC000008590876 132283817 /nfs/dbraw/zinc/28/38/17/132283817.db2.gz KZQBHVQKISSRBM-HSZRJFAPSA-N 0 0 449.617 2.981 50 0 IFAARN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N1CCN(c2ccc(C)cc2C)CC1 ZINC000008596261 132285109 /nfs/dbraw/zinc/28/51/09/132285109.db2.gz LKAFJJLSOYACGH-UHFFFAOYSA-N 0 0 435.528 2.947 50 0 IFAARN CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000008601078 132286597 /nfs/dbraw/zinc/28/65/97/132286597.db2.gz RVYFSBLCUBBKON-UHFFFAOYSA-N 0 0 429.542 2.807 50 0 IFAARN CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(c3nccc(C(F)(F)F)n3)CC2)CC1 ZINC000008616765 132288670 /nfs/dbraw/zinc/28/86/70/132288670.db2.gz MASBFNOFPNIKIP-UHFFFAOYSA-N 0 0 443.470 2.791 50 0 IFAARN NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(F)cc1)S2(=O)=O ZINC000008619420 132288880 /nfs/dbraw/zinc/28/88/80/132288880.db2.gz OWMAHPYOXWJGCD-UHFFFAOYSA-N 0 0 430.486 2.569 50 0 IFAARN O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)NC(=O)Nc1ccccc1F ZINC000008708385 132291159 /nfs/dbraw/zinc/29/11/59/132291159.db2.gz LXMIJOLGIODQOJ-FQEVSTJZSA-N 0 0 440.475 2.754 50 0 IFAARN C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008718993 132291526 /nfs/dbraw/zinc/29/15/26/132291526.db2.gz VFVOQBFMZGEQHD-AWEZNQCLSA-N 0 0 428.493 2.757 50 0 IFAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008745917 132292748 /nfs/dbraw/zinc/29/27/48/132292748.db2.gz ZYLPYCZWVODHJV-UHFFFAOYSA-N 0 0 438.450 2.609 50 0 IFAARN COc1cccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCc2ccccc2)c4=O)c1 ZINC000009108944 132303001 /nfs/dbraw/zinc/30/30/01/132303001.db2.gz LYNYLQRTUMQIOX-QGZVFWFLSA-N 0 0 445.523 2.936 50 0 IFAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCN(c2ncccn2)CC1)OC(C)(C)CC3 ZINC000009134033 132306234 /nfs/dbraw/zinc/30/62/34/132306234.db2.gz MVAIBKLESANGPC-UHFFFAOYSA-N 0 0 448.523 2.886 50 0 IFAARN C[C@@H]1Cn2c3c(nc2N(c2ccccc2)C1)n(C)c(=O)n(CC(=O)c1ccccc1)c3=O ZINC000009156829 132307171 /nfs/dbraw/zinc/30/71/71/132307171.db2.gz CKWPINCADXYOSJ-INIZCTEOSA-N 0 0 429.480 2.567 50 0 IFAARN C[C@H]1Cn2c3c(nc2N(c2ccccc2)C1)n(C)c(=O)n(CC(=O)c1ccccc1)c3=O ZINC000009156830 132307178 /nfs/dbraw/zinc/30/71/78/132307178.db2.gz CKWPINCADXYOSJ-MRXNPFEDSA-N 0 0 429.480 2.567 50 0 IFAARN CSCC[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1ccc(F)cc1 ZINC000009184243 132307705 /nfs/dbraw/zinc/30/77/05/132307705.db2.gz IOGXHBSFGBPFAV-KRWDZBQOSA-N 0 0 430.505 2.732 50 0 IFAARN CC(=O)N1CCN(c2ccc(NC(=O)CSc3ncn(-c4ccccc4)n3)cc2)CC1 ZINC000009191280 132308001 /nfs/dbraw/zinc/30/80/01/132308001.db2.gz UYKPTJQWMSMOBU-UHFFFAOYSA-N 0 0 436.541 2.667 50 0 IFAARN O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1nccs1 ZINC000009192199 132308127 /nfs/dbraw/zinc/30/81/27/132308127.db2.gz VGKQWESHGODGQO-UHFFFAOYSA-N 0 0 429.531 2.639 50 0 IFAARN O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ccccc2O)CC1 ZINC000009207074 132308469 /nfs/dbraw/zinc/30/84/69/132308469.db2.gz WRVZFOCSXWLUHG-UHFFFAOYSA-N 0 0 443.569 2.919 50 0 IFAARN O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009209313 132308810 /nfs/dbraw/zinc/30/88/10/132308810.db2.gz KAXXNXFLBSFXPP-UHFFFAOYSA-N 0 0 437.924 2.882 50 0 IFAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3ccc(F)cc3Cl)cc21 ZINC000009274129 132312209 /nfs/dbraw/zinc/31/22/09/132312209.db2.gz KSJUHWJTRNSCSH-UHFFFAOYSA-N 0 0 444.893 2.892 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000009341444 132314083 /nfs/dbraw/zinc/31/40/83/132314083.db2.gz ORZLKSXTUZGZDJ-NRFANRHFSA-N 0 0 431.533 2.636 50 0 IFAARN O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000009421305 132316293 /nfs/dbraw/zinc/31/62/93/132316293.db2.gz OVQWRPVKQDPNEN-CYBMUJFWSA-N 0 0 438.879 2.589 50 0 IFAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)Nc1cccc(F)c1 ZINC000009430561 132317059 /nfs/dbraw/zinc/31/70/59/132317059.db2.gz OOJDMBIUHRHLNY-UHFFFAOYSA-N 0 0 449.529 2.688 50 0 IFAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)Nc1ccccc1F ZINC000009430560 132317061 /nfs/dbraw/zinc/31/70/61/132317061.db2.gz LRMOUGYIKLVFEA-UHFFFAOYSA-N 0 0 449.529 2.688 50 0 IFAARN Cc1cc(C)cc(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)c1 ZINC000009435649 132317578 /nfs/dbraw/zinc/31/75/78/132317578.db2.gz WENJVOJPKQCSBG-UHFFFAOYSA-N 0 0 443.544 2.879 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000009469346 132318664 /nfs/dbraw/zinc/31/86/64/132318664.db2.gz BLMOAKSKNJNFTJ-MRXNPFEDSA-N 0 0 435.571 2.624 50 0 IFAARN O=C(CCn1c(=O)oc2ccccc21)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000009477134 132318991 /nfs/dbraw/zinc/31/89/91/132318991.db2.gz MAUPVWCDCYOSSY-NRFANRHFSA-N 0 0 435.480 2.791 50 0 IFAARN COc1ccc(CNC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(N)c2)cc1 ZINC000009490791 132319266 /nfs/dbraw/zinc/31/92/66/132319266.db2.gz LMGMIIMCLQUMNY-QUCCMNQESA-N 0 0 444.535 2.993 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000009491255 132319275 /nfs/dbraw/zinc/31/92/75/132319275.db2.gz HQRWVOAEXNZBIL-UHFFFAOYSA-N 0 0 448.541 2.976 50 0 IFAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O ZINC000009539414 132321087 /nfs/dbraw/zinc/32/10/87/132321087.db2.gz KTNDNSBYCPARQG-DEOSSOPVSA-N 0 0 436.512 2.709 50 0 IFAARN O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc21 ZINC000009676692 132325562 /nfs/dbraw/zinc/32/55/62/132325562.db2.gz IOTCBBJNIVLEOR-UHFFFAOYSA-N 0 0 429.517 2.636 50 0 IFAARN Cc1ccn2cc(C(=O)N3CCN(c4cnn(-c5ccccc5)c(=O)c4Cl)CC3)nc2c1 ZINC000009714548 132327117 /nfs/dbraw/zinc/32/71/17/132327117.db2.gz VBTDJJAIFBGMFY-UHFFFAOYSA-N 0 0 448.914 2.804 50 0 IFAARN O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CC(=O)Nc2ccccc21 ZINC000009723249 132327632 /nfs/dbraw/zinc/32/76/32/132327632.db2.gz ONWMMKOQVCBXNL-UHFFFAOYSA-N 0 0 442.541 2.649 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000009721109 132327670 /nfs/dbraw/zinc/32/76/70/132327670.db2.gz CTLDYLQLYMGZQT-UHFFFAOYSA-N 0 0 435.952 2.571 50 0 IFAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000009788786 132329010 /nfs/dbraw/zinc/32/90/10/132329010.db2.gz ABKPVGGHRVJRGI-UHFFFAOYSA-N 0 0 447.524 2.758 50 0 IFAARN C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000009862249 132330321 /nfs/dbraw/zinc/33/03/21/132330321.db2.gz FAXHXMLIHPNYDF-WBVHZDCISA-N 0 0 433.603 2.958 50 0 IFAARN C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000009862257 132330378 /nfs/dbraw/zinc/33/03/78/132330378.db2.gz FAXHXMLIHPNYDF-NVXWUHKLSA-N 0 0 433.603 2.958 50 0 IFAARN NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000010742274 132336495 /nfs/dbraw/zinc/33/64/95/132336495.db2.gz GTHORAPWPWYKGE-IBGZPJMESA-N 0 0 425.920 2.750 50 0 IFAARN O=C(Cc1ccc(Cl)cc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000011024049 132336954 /nfs/dbraw/zinc/33/69/54/132336954.db2.gz ASSXKPIYRCOYGI-UHFFFAOYSA-N 0 0 447.930 2.814 50 0 IFAARN C[C@@H](Sc1ncnc2c1cnn2C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000011685404 132338601 /nfs/dbraw/zinc/33/86/01/132338601.db2.gz YUBFJSHYAGCPLL-SECBINFHSA-N 0 0 436.419 2.848 50 0 IFAARN COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000011695322 132338695 /nfs/dbraw/zinc/33/86/95/132338695.db2.gz CLVKDORHZSFEOC-UHFFFAOYSA-N 0 0 428.489 2.802 50 0 IFAARN O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 ZINC000011697532 132339100 /nfs/dbraw/zinc/33/91/00/132339100.db2.gz LVWXEFOFSKANNM-UHFFFAOYSA-N 0 0 428.452 2.684 50 0 IFAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000011697736 132339258 /nfs/dbraw/zinc/33/92/58/132339258.db2.gz LEFCCNRWJUNXJY-UHFFFAOYSA-N 0 0 430.921 2.780 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1OC ZINC000011697692 132339265 /nfs/dbraw/zinc/33/92/65/132339265.db2.gz PLOBGVAVZXLHNJ-UHFFFAOYSA-N 0 0 435.488 2.987 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 ZINC000011762192 132339425 /nfs/dbraw/zinc/33/94/25/132339425.db2.gz RBIWIXMLUHNXTM-UHFFFAOYSA-N 0 0 447.421 2.957 50 0 IFAARN O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1c(F)cccc1Cl ZINC000011796056 132340155 /nfs/dbraw/zinc/34/01/55/132340155.db2.gz ZLUSWOLWZWROMZ-UHFFFAOYSA-N 0 0 439.940 2.751 50 0 IFAARN Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccccc3Cl)CC2)c1 ZINC000011796643 132340225 /nfs/dbraw/zinc/34/02/25/132340225.db2.gz XSJSGKRKNTVDDY-UHFFFAOYSA-N 0 0 435.977 2.920 50 0 IFAARN Cn1c2c(cc(C(=O)N3CCCc4ccccc43)n2Cc2ccccc2)c(=O)n(C)c1=O ZINC000011845026 132340577 /nfs/dbraw/zinc/34/05/77/132340577.db2.gz ASOGFQZWQYCTKE-UHFFFAOYSA-N 0 0 428.492 2.680 50 0 IFAARN Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)nn2)n1 ZINC000013009466 132342429 /nfs/dbraw/zinc/34/24/29/132342429.db2.gz UMVIGTFSLYCTER-UHFFFAOYSA-N 0 0 440.573 2.715 50 0 IFAARN NC(=O)c1ccc(NC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000013042229 132343564 /nfs/dbraw/zinc/34/35/64/132343564.db2.gz UTEMSQQAINBDRH-UHFFFAOYSA-N 0 0 441.841 2.613 50 0 IFAARN O=C(CNC(=O)c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013096387 132344377 /nfs/dbraw/zinc/34/43/77/132344377.db2.gz LWTWROUVVUMNOD-UHFFFAOYSA-N 0 0 426.826 2.832 50 0 IFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013114762 132344891 /nfs/dbraw/zinc/34/48/91/132344891.db2.gz GKWJJDXJRWODEI-HNNXBMFYSA-N 0 0 447.461 2.986 50 0 IFAARN O=C(NC[C@@H]1C[C@H]2c3ccccc3CCN2O1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000013397196 132346889 /nfs/dbraw/zinc/34/68/89/132346889.db2.gz RSPLRIXLWYQLRT-HKUYNNGSSA-N 0 0 427.936 2.766 50 0 IFAARN COc1ccc(N([C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)S(C)(=O)=O)cc1 ZINC000013566755 132350387 /nfs/dbraw/zinc/35/03/87/132350387.db2.gz HYCJITWYLNYMNQ-LJQANCHMSA-N 0 0 445.585 2.815 50 0 IFAARN CC(C)n1c(=O)c2c3c(sc2nc1N1CCN(C(=O)C2CC2)CC1)COC(C)(C)C3 ZINC000013623938 132352109 /nfs/dbraw/zinc/35/21/09/132352109.db2.gz FJNYYGQWHSPSDJ-UHFFFAOYSA-N 0 0 430.574 2.949 50 0 IFAARN CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccccn2)cn3C2CC2)CC1 ZINC000013688205 132353576 /nfs/dbraw/zinc/35/35/76/132353576.db2.gz JHHFJCVKQSKRJQ-UHFFFAOYSA-N 0 0 449.486 2.791 50 0 IFAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013693124 132353612 /nfs/dbraw/zinc/35/36/12/132353612.db2.gz FJCNLSNVTRHFOV-UHFFFAOYSA-N 0 0 438.915 2.724 50 0 IFAARN Cc1cc(OCC(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc(C)c1Cl ZINC000013701080 132353787 /nfs/dbraw/zinc/35/37/87/132353787.db2.gz KPDWFIKPFGMGQY-UHFFFAOYSA-N 0 0 440.935 3.000 50 0 IFAARN O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC(=O)Cc1ccccc1 ZINC000014084359 132356011 /nfs/dbraw/zinc/35/60/11/132356011.db2.gz XINXURURZVXLGH-UHFFFAOYSA-N 0 0 449.429 2.746 50 0 IFAARN NC(=O)[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c2ccccc2O1 ZINC000014240263 132356926 /nfs/dbraw/zinc/35/69/26/132356926.db2.gz BDDQVYNHTWZPRI-OFNKIYASSA-N 0 0 433.533 2.975 50 0 IFAARN CC(=O)[C@H](C)n1c(Br)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C ZINC000012422028 518217472 /nfs/dbraw/zinc/21/74/72/518217472.db2.gz XKHZMMDFTGDNIH-VIFPVBQESA-N 0 0 439.697 2.511 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1C ZINC000012806976 518230213 /nfs/dbraw/zinc/23/02/13/518230213.db2.gz UPJKHWFYPUEWOT-ZLOXQWCVSA-N 0 0 439.468 2.687 50 0 IFAARN CC(=O)c1ccc(N2CCN(CC(=O)NCC(=O)Nc3cccc(Cl)c3C)CC2)cc1 ZINC000012515997 518348997 /nfs/dbraw/zinc/34/89/97/518348997.db2.gz JZBGUMMGJGRIKP-UHFFFAOYSA-N 0 0 442.947 2.728 50 0 IFAARN CC(=O)c1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000015385352 518395098 /nfs/dbraw/zinc/39/50/98/518395098.db2.gz TZFMYEULXBQQNX-UHFFFAOYSA-N 0 0 448.516 2.720 50 0 IFAARN CC(=O)c1ccc(OCCNC(=O)Cn2nnc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000020890522 518395811 /nfs/dbraw/zinc/39/58/11/518395811.db2.gz COPYCVOTXHMYGT-UHFFFAOYSA-N 0 0 433.390 2.757 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4C3)CC2)cc1 ZINC000012215188 518403065 /nfs/dbraw/zinc/40/30/65/518403065.db2.gz MFWFZQXJHAZUHS-UHFFFAOYSA-N 0 0 432.567 2.936 50 0 IFAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000012902583 518842980 /nfs/dbraw/zinc/84/29/80/518842980.db2.gz SIXUSIJBZINQEI-GOSISDBHSA-N 0 0 431.533 2.674 50 0 IFAARN CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(C(=O)NCCN5CCOCC5)nc4c23)C1 ZINC000020503832 518946022 /nfs/dbraw/zinc/94/60/22/518946022.db2.gz XUEKJROHCIVPNB-CQSZACIVSA-N 0 0 442.589 2.552 50 0 IFAARN CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000022615075 519002945 /nfs/dbraw/zinc/00/29/45/519002945.db2.gz SCPUNCCAVBBECG-DZGCQCFKSA-N 0 0 430.530 2.605 50 0 IFAARN CC(C)(C)c1ccc(OCCNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000012694383 519039843 /nfs/dbraw/zinc/03/98/43/519039843.db2.gz MMMFYYBQSPZSSH-UHFFFAOYSA-N 0 0 429.542 2.608 50 0 IFAARN CC(C)(CNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)N1CCOCC1 ZINC000012557062 519264089 /nfs/dbraw/zinc/26/40/89/519264089.db2.gz HBRBKBMQPRLYFI-SFQUDFHCSA-N 0 0 443.569 2.940 50 0 IFAARN CC(=O)CCC(=O)N1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N(CC3CC3)C2=O)CC1 ZINC000012197643 519385553 /nfs/dbraw/zinc/38/55/53/519385553.db2.gz ZAJHTEMNCZKMNV-XMMPIXPASA-N 0 0 443.519 2.677 50 0 IFAARN CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)N1CCC(C)CC1 ZINC000021535814 519398903 /nfs/dbraw/zinc/39/89/03/519398903.db2.gz NJUODTDZOYOJPO-FQEVSTJZSA-N 0 0 435.590 2.913 50 0 IFAARN CC(C)C(=O)N1CCC(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)CC1 ZINC000012853247 519456646 /nfs/dbraw/zinc/45/66/46/519456646.db2.gz VONBARAFUFMPBY-AQTBWJFISA-N 0 0 447.532 2.873 50 0 IFAARN CC(C)C(=O)N1c2nc(C(=O)N3CCOCC3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000021785776 519477685 /nfs/dbraw/zinc/47/76/85/519477685.db2.gz IKYGJUDNJJBBPJ-MSOLQXFVSA-N 0 0 429.565 2.971 50 0 IFAARN CC(=O)N1CCCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)CC1 ZINC000020537641 519529893 /nfs/dbraw/zinc/52/98/93/519529893.db2.gz BXSIJHRLGDYSLB-UHFFFAOYSA-N 0 0 439.585 2.765 50 0 IFAARN CC(C)N(C(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C1CCCCC1 ZINC000015488972 519555047 /nfs/dbraw/zinc/55/50/47/519555047.db2.gz KHVPARFOHPRHLO-UHFFFAOYSA-N 0 0 443.560 2.841 50 0 IFAARN CC(=O)N1CCN(C(=O)[C@@H]2COC3(CCCCC3)N2C(=O)c2cccc(Cl)c2)CC1 ZINC000035981011 519577448 /nfs/dbraw/zinc/57/74/48/519577448.db2.gz JUZBLQQCZXSPNM-IBGZPJMESA-N 0 0 433.936 2.532 50 0 IFAARN CC(=O)N1CCN(C(=O)[C@@H]2COC3(CCC(C)CC3)N2C(=O)c2cccc(Cl)c2)CC1 ZINC000036018064 519577734 /nfs/dbraw/zinc/57/77/34/519577734.db2.gz ZWMUNNMBRGVLDC-UKAYHFCDSA-N 0 0 447.963 2.778 50 0 IFAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(C)C)c3)c2)CC1 ZINC000014597651 519587658 /nfs/dbraw/zinc/58/76/58/519587658.db2.gz GAOYXKCMGXESEW-UHFFFAOYSA-N 0 0 429.542 2.915 50 0 IFAARN CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3cccc4cc(C)cnc43)cc2)CC1 ZINC000012596773 519592680 /nfs/dbraw/zinc/59/26/80/519592680.db2.gz DQDTVEDNVDKFGP-UHFFFAOYSA-N 0 0 425.510 2.979 50 0 IFAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)CCn3cnc4sccc4c3=O)ccc21 ZINC000012882175 519631091 /nfs/dbraw/zinc/63/10/91/519631091.db2.gz NTJUGRLUOYLIAY-ZDUSSCGKSA-N 0 0 439.493 2.572 50 0 IFAARN CC(=O)N1CCc2cc(S(=O)(=O)[C@H](C)CC(=O)NCCCc3ccccc3)ccc21 ZINC000021871868 519633129 /nfs/dbraw/zinc/63/31/29/519633129.db2.gz UPPOVOFOFDOODN-QGZVFWFLSA-N 0 0 428.554 2.897 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NC1CCCCCC1 ZINC000015775502 519639027 /nfs/dbraw/zinc/63/90/27/519639027.db2.gz ABNQAFIKHSNONT-NRFANRHFSA-N 0 0 433.574 2.588 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c3ccccc3)cc2C[C@@H]1C ZINC000020529467 519639360 /nfs/dbraw/zinc/63/93/60/519639360.db2.gz KFJVSUNZXLTWPF-HOTGVXAUSA-N 0 0 429.542 2.530 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCCC3=CCCCC3)cc2C[C@@H]1C ZINC000020529346 519639391 /nfs/dbraw/zinc/63/93/91/519639391.db2.gz WJTHUAAOSZCJGJ-INIZCTEOSA-N 0 0 433.574 2.659 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)cc2C[C@@H]1C ZINC000021867266 519639610 /nfs/dbraw/zinc/63/96/10/519639610.db2.gz OKIUCZRJNZZCSA-LSDHHAIUSA-N 0 0 425.514 2.604 50 0 IFAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OS(=O)(=O)c2ccccc2)S1 ZINC000020896317 519643141 /nfs/dbraw/zinc/64/31/41/519643141.db2.gz IEQQXNNZWAQLLM-GOSISDBHSA-N 0 0 433.511 2.764 50 0 IFAARN CC(C)CCNC(=O)NC(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1 ZINC000012215815 519657561 /nfs/dbraw/zinc/65/75/61/519657561.db2.gz DYFXRSLIDINFOU-UHFFFAOYSA-N 0 0 434.566 2.874 50 0 IFAARN CC(C)CCNC(=O)c1cnc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1O ZINC000020753950 519662000 /nfs/dbraw/zinc/66/20/00/519662000.db2.gz MKZMWQMSVKBEKU-HOTGVXAUSA-N 0 0 433.574 2.971 50 0 IFAARN CC(C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1 ZINC000035398940 519664240 /nfs/dbraw/zinc/66/42/40/519664240.db2.gz ATAXBWVMGZYYEZ-UHFFFAOYSA-N 0 0 435.590 2.693 50 0 IFAARN CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)c1ccccc1 ZINC000012763445 519695057 /nfs/dbraw/zinc/69/50/57/519695057.db2.gz ISIDIDQEAJFKCO-HSZRJFAPSA-N 0 0 436.556 2.654 50 0 IFAARN CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1 ZINC000035380396 519695069 /nfs/dbraw/zinc/69/50/69/519695069.db2.gz OOWPPLNGLONDQO-OAQYLSRUSA-N 0 0 442.947 2.690 50 0 IFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012804912 519698825 /nfs/dbraw/zinc/69/88/25/519698825.db2.gz VKWAIRXJRQCDMP-ORAYPTAESA-N 0 0 437.452 2.514 50 0 IFAARN CC(=O)N[C@H]1[C@@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@H]1Oc1ccc(C(C)(C)C)cc1 ZINC000245228775 519701473 /nfs/dbraw/zinc/70/14/73/519701473.db2.gz FKJUUKVGJGPQSF-NPQLIOMISA-N 0 0 431.485 2.661 50 0 IFAARN CC(C)NC(=O)NC(=O)[C@H](C)Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 ZINC000012165262 519711752 /nfs/dbraw/zinc/71/17/52/519711752.db2.gz IAPURFYWWVBNBM-CABCVRRESA-N 0 0 434.566 2.871 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000021129491 519725204 /nfs/dbraw/zinc/72/52/04/519725204.db2.gz QMNIUPSMFUTHJE-ZFWWWQNUSA-N 0 0 427.432 2.707 50 0 IFAARN CC(=O)Nc1ccc(OCc2noc(C(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000020745117 519729384 /nfs/dbraw/zinc/72/93/84/519729384.db2.gz BQJONJUUOGNLIB-UHFFFAOYSA-N 0 0 439.447 2.709 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(C)c3C)CC2)cc1 ZINC000012816955 519730361 /nfs/dbraw/zinc/73/03/61/519730361.db2.gz ZVCKYQRVWDABCL-UHFFFAOYSA-N 0 0 429.542 2.845 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)N2CCCC2)cc1 ZINC000035559417 519730910 /nfs/dbraw/zinc/73/09/10/519730910.db2.gz DVXCXSZKRRRRKN-QFIPXVFZSA-N 0 0 441.553 2.946 50 0 IFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnnn2C2CCCC2)cc1 ZINC000014247832 519733353 /nfs/dbraw/zinc/73/33/53/519733353.db2.gz CIJIIUKPCAGLNA-CYBMUJFWSA-N 0 0 438.579 2.594 50 0 IFAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000012799829 519754234 /nfs/dbraw/zinc/75/42/34/519754234.db2.gz KPTFPPHRZIDIEP-UHFFFAOYSA-N 0 0 440.543 2.809 50 0 IFAARN CC(=O)OCCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccco1 ZINC000012379961 519755684 /nfs/dbraw/zinc/75/56/84/519755684.db2.gz HGWLFSLJKYNSIB-FOWTUZBSSA-N 0 0 435.274 2.882 50 0 IFAARN CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1)c1ccc2c(c1)OCCO2 ZINC000012862254 519798152 /nfs/dbraw/zinc/79/81/52/519798152.db2.gz OPUYJYSPVIMGRM-HXUWFJFHSA-N 0 0 433.530 2.698 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012781281 519798650 /nfs/dbraw/zinc/79/86/50/519798650.db2.gz UBXBMOGMKNDFGN-KBXCAEBGSA-N 0 0 441.484 2.730 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCCc1cccs1 ZINC000023483618 519799460 /nfs/dbraw/zinc/79/94/60/519799460.db2.gz NNVIHQRWVUFTRE-LJQANCHMSA-N 0 0 438.571 2.571 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1nnc2ccccn21 ZINC000022691067 519799527 /nfs/dbraw/zinc/79/95/27/519799527.db2.gz UXLVISZLEKZBAD-OAQYLSRUSA-N 0 0 437.525 2.502 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012781284 519820430 /nfs/dbraw/zinc/82/04/30/519820430.db2.gz UBXBMOGMKNDFGN-KSSFIOAISA-N 0 0 441.484 2.730 50 0 IFAARN CC(C)c1ccc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000012770508 519835782 /nfs/dbraw/zinc/83/57/82/519835782.db2.gz AFNWWZVFDJAJPA-UHFFFAOYSA-N 0 0 447.576 2.914 50 0 IFAARN CCCN1CCN(C(=O)[C@@H]2Cc3nc(NC(=O)c4cccc(F)c4)sc3C(=O)C2)CC1 ZINC000020451447 519856487 /nfs/dbraw/zinc/85/64/87/519856487.db2.gz FAOOLFLBJUHSNW-OAHLLOKOSA-N 0 0 444.532 2.834 50 0 IFAARN CCOCCCNC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000035458017 519894642 /nfs/dbraw/zinc/89/46/42/519894642.db2.gz JIMFXZMRKAHDKJ-JOCHJYFZSA-N 0 0 435.524 2.994 50 0 IFAARN CC(C)n1c2ccc(S(=O)(=O)N3CCN(C(=O)C4CCCC4)CC3)cc2sc1=O ZINC000021358193 519925165 /nfs/dbraw/zinc/92/51/65/519925165.db2.gz CIIPZOFRPJFXRY-UHFFFAOYSA-N 0 0 437.587 2.667 50 0 IFAARN CCN(C(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@H]1CCS(=O)(=O)C1 ZINC000012847412 520014529 /nfs/dbraw/zinc/01/45/29/520014529.db2.gz AJRMNFKVAOTOAJ-ZBFHGGJFSA-N 0 0 432.542 2.628 50 0 IFAARN CCNS(=O)(=O)c1cc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)[nH]n2)ccc1OC ZINC000021806434 520049366 /nfs/dbraw/zinc/04/93/66/520049366.db2.gz KAWVJZZEIWOZJJ-IJEWVQPXSA-N 0 0 434.562 2.938 50 0 IFAARN CCCCCCNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000022512103 520091076 /nfs/dbraw/zinc/09/10/76/520091076.db2.gz ANALQRFMDWMANK-INIZCTEOSA-N 0 0 430.592 2.554 50 0 IFAARN CCN(C)C(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2cc(OC)ccc2OC)on1 ZINC000036015330 520141138 /nfs/dbraw/zinc/14/11/38/520141138.db2.gz IMQPMCVSWNLICG-KRWDZBQOSA-N 0 0 445.516 2.848 50 0 IFAARN CCCCCN(C(=O)c1cc(C)nc2onc(C)c21)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000022315041 520144133 /nfs/dbraw/zinc/14/41/33/520144133.db2.gz QQTMGURYHAZHDB-UHFFFAOYSA-N 0 0 442.520 2.909 50 0 IFAARN CCN(C)C(=O)[C@H](C)N1CC2=C(C1=O)[C@H](c1ccccc1C(F)(F)F)NC(=O)N2CC ZINC000035966479 520203699 /nfs/dbraw/zinc/20/36/99/520203699.db2.gz GQLOEWBQAJOGSS-SJCJKPOMSA-N 0 0 438.450 2.755 50 0 IFAARN CCCOc1c(Br)cc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1OC ZINC000032988585 520289970 /nfs/dbraw/zinc/28/99/70/520289970.db2.gz WEBKBSFNYLUDAZ-UHFFFAOYSA-N 0 0 425.323 2.941 50 0 IFAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)N1CCSc2ccccc21 ZINC000012554980 520317432 /nfs/dbraw/zinc/31/74/32/520317432.db2.gz DOBUKIUNCOTXQR-UHFFFAOYSA-N 0 0 434.587 2.920 50 0 IFAARN CCN(CC(=O)NC(C)(C)C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000022240789 520322487 /nfs/dbraw/zinc/32/24/87/520322487.db2.gz MKDQLSSZCPELFR-OAHLLOKOSA-N 0 0 428.455 2.529 50 0 IFAARN CCCCN(C(=O)CCc1ncc(-c2ccccc2)o1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000012890180 520342587 /nfs/dbraw/zinc/34/25/87/520342587.db2.gz QMAMYFYPYQEKQX-UHFFFAOYSA-N 0 0 439.516 2.950 50 0 IFAARN CCCCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1 ZINC000035398952 520431381 /nfs/dbraw/zinc/43/13/81/520431381.db2.gz UWNRFEOPAOKQSO-UHFFFAOYSA-N 0 0 435.590 2.789 50 0 IFAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000012706704 520457287 /nfs/dbraw/zinc/45/72/87/520457287.db2.gz JZANNGZNMYBRNR-IBGZPJMESA-N 0 0 436.574 2.551 50 0 IFAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CN2C(=O)CSC2=O)CC1 ZINC000012466363 520458753 /nfs/dbraw/zinc/45/87/53/520458753.db2.gz SUOWQTVPFPZZOF-UHFFFAOYSA-N 0 0 432.542 2.877 50 0 IFAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2C[C@@H](C)NC(=S)N2)CC1 ZINC000012747067 520462855 /nfs/dbraw/zinc/46/28/55/520462855.db2.gz CTMJJJVHBRQPSP-PBHICJAKSA-N 0 0 437.993 2.679 50 0 IFAARN CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000012761784 520477412 /nfs/dbraw/zinc/47/74/12/520477412.db2.gz PQATUAZIGSMRHW-HOCLYGCPSA-N 0 0 446.447 2.796 50 0 IFAARN CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n21 ZINC000018173758 520486252 /nfs/dbraw/zinc/48/62/52/520486252.db2.gz IMGSSVNZFGBASN-CNSVBDKNSA-N 0 0 449.532 2.592 50 0 IFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000035991186 520511270 /nfs/dbraw/zinc/51/12/70/520511270.db2.gz RNTFDWLXWYWOMH-OAQYLSRUSA-N 0 0 431.533 2.949 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(CC)cc2)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870172 520516651 /nfs/dbraw/zinc/51/66/51/520516651.db2.gz UCADPCMNBBDZEI-HSZRJFAPSA-N 0 0 449.617 2.845 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(C)c(C)c2)[C@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870205 520516805 /nfs/dbraw/zinc/51/68/05/520516805.db2.gz JLAPAAANSXZYLV-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2)[C@](C)(C(=O)NC2CCCCC2)C1 ZINC000020928573 520517088 /nfs/dbraw/zinc/51/70/88/520517088.db2.gz XQYFDACMIGVVCI-QFIPXVFZSA-N 0 0 435.590 2.591 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2cc(C)cc(C)c2)[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000021870122 520517105 /nfs/dbraw/zinc/51/71/05/520517105.db2.gz DURTWBFXHDYGDR-JOCHJYFZSA-N 0 0 435.590 2.509 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccccc2C)[C@](C)(C(=O)NC2CCCCCC2)C1 ZINC000021528481 520517156 /nfs/dbraw/zinc/51/71/56/520517156.db2.gz ZGFNEVPFQWMYES-QHCPKHFHSA-N 0 0 449.617 2.981 50 0 IFAARN CCCS(=O)(=O)N1CC(=O)N(c2ccccc2CC)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000021870166 520517273 /nfs/dbraw/zinc/51/72/73/520517273.db2.gz NOOCFIWGMUONHE-HSZRJFAPSA-N 0 0 449.617 2.845 50 0 IFAARN CCOC(=O)C1=C(COC(=O)CSc2ccc(Br)cc2)NC(=O)N[C@H]1C ZINC000022870355 520519903 /nfs/dbraw/zinc/51/99/03/520519903.db2.gz DIYZSSWNQSQBIM-JTQLQIEISA-N 0 0 443.319 2.603 50 0 IFAARN CCCS(=O)(=O)c1c2cnccn2c(C(=O)c2ccccc2)c1S(=O)(=O)CCC ZINC000020595741 520543100 /nfs/dbraw/zinc/54/31/00/520543100.db2.gz RKEJSYFKUNQYHZ-UHFFFAOYSA-N 0 0 434.539 2.933 50 0 IFAARN CCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@H](C(F)(F)F)C[C@H]2C)n(C)n1 ZINC000020606134 520543143 /nfs/dbraw/zinc/54/31/43/520543143.db2.gz ZLAIFHKHIZJRST-DOMZBBRYSA-N 0 0 426.443 2.949 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccn1)C(=O)[C@@H]1CCCCN21 ZINC000035445593 520556078 /nfs/dbraw/zinc/55/60/78/520556078.db2.gz YBNRRRLCSCUWPR-NRFANRHFSA-N 0 0 449.555 2.586 50 0 IFAARN CCN(CC)C(=O)c1ccc2c(c1)ncn2CCNS(=O)(=O)c1ccc(OC)cc1 ZINC000015864743 520557968 /nfs/dbraw/zinc/55/79/68/520557968.db2.gz ZVAHELXPNCUFLS-UHFFFAOYSA-N 0 0 430.530 2.505 50 0 IFAARN CCCCN1C(=O)C[C@H](C(=O)Nc2nc(CC(N)=O)cs2)[C@H]1c1ccc(OC)cc1 ZINC000013006975 520560657 /nfs/dbraw/zinc/56/06/57/520560657.db2.gz JYPWELMUUQJECK-QFBILLFUSA-N 0 0 430.530 2.508 50 0 IFAARN CCOC(=O)C1CCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)CC1 ZINC000012298588 520571596 /nfs/dbraw/zinc/57/15/96/520571596.db2.gz ADNSQIWSRIUCCB-UHFFFAOYSA-N 0 0 446.544 2.508 50 0 IFAARN CC(C)(C)C(=O)N[C@@H](n1cnc2c1ncnc2N1CCOCC1)C(Cl)(Cl)Cl ZINC000000799220 534508992 /nfs/dbraw/zinc/50/89/92/534508992.db2.gz LJAKCUTXRQDGOG-ZDUSSCGKSA-N 0 0 435.743 2.694 50 0 IFAARN CCOC(=O)CCNC(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1C1CC1 ZINC000014999485 520687904 /nfs/dbraw/zinc/68/79/04/520687904.db2.gz KLFRFMNCWGDJFH-UHFFFAOYSA-N 0 0 435.484 2.898 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3cccs3)nn2CCO)cc1 ZINC000042384564 520791632 /nfs/dbraw/zinc/79/16/32/520791632.db2.gz MQIRDQIUCRSCDS-UHFFFAOYSA-N 0 0 448.570 2.887 50 0 IFAARN CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000012180687 520842258 /nfs/dbraw/zinc/84/22/58/520842258.db2.gz METXFTNAENNYAY-UHFFFAOYSA-N 0 0 427.408 2.558 50 0 IFAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000012640981 520890207 /nfs/dbraw/zinc/89/02/07/520890207.db2.gz ZBRJFWIPNFGIIV-UHFFFAOYSA-N 0 0 442.463 2.988 50 0 IFAARN CCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCc4ccccc43)s2)cc1 ZINC000020486243 520921239 /nfs/dbraw/zinc/92/12/39/520921239.db2.gz XMJXVJVEWQYGFW-UHFFFAOYSA-N 0 0 430.511 2.941 50 0 IFAARN CCOc1ccc(C2=N/C(=C\c3ccc(OCC(N)=O)c(OC)c3)C(=O)O2)cc1OCC ZINC000012895391 520929246 /nfs/dbraw/zinc/92/92/46/520929246.db2.gz RTZPWCXNNRQZJI-YBEGLDIGSA-N 0 0 440.452 2.701 50 0 IFAARN CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C1 ZINC000024754907 520941026 /nfs/dbraw/zinc/94/10/26/520941026.db2.gz WHXLNKMAIAOYFP-SJORKVTESA-N 0 0 437.562 2.914 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2cnn(-c3ccc(F)cc3F)c2-n2cccc2)CC1 ZINC000022519355 520950560 /nfs/dbraw/zinc/95/05/60/520950560.db2.gz BWYIITNXTJZGEB-UHFFFAOYSA-N 0 0 429.427 2.856 50 0 IFAARN CC1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC1 ZINC000012548642 520953331 /nfs/dbraw/zinc/95/33/31/520953331.db2.gz GTXHNIBSOUKSOC-UHFFFAOYSA-N 0 0 428.514 2.966 50 0 IFAARN CCOc1ccc(CCNC(=O)c2cnc3sc(N4CCC[C@H](C)C4)nn3c2=O)cc1 ZINC000021537754 520954160 /nfs/dbraw/zinc/95/41/60/520954160.db2.gz DUVWCDRWENKZMP-HNNXBMFYSA-N 0 0 441.557 2.759 50 0 IFAARN CCOC(=O)N1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697710 520957443 /nfs/dbraw/zinc/95/74/43/520957443.db2.gz LWSIKPPACCPOOL-NRFANRHFSA-N 0 0 447.507 2.511 50 0 IFAARN CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000012712902 520976558 /nfs/dbraw/zinc/97/65/58/520976558.db2.gz LIQBRSHMGOQHTC-NRFANRHFSA-N 0 0 429.948 2.788 50 0 IFAARN CC1CCN(C(=O)COc2coc(CN3CCN(Cc4ccccc4)CC3)cc2=O)CC1 ZINC000022852796 520980122 /nfs/dbraw/zinc/98/01/22/520980122.db2.gz BAMGLCVETGFANY-UHFFFAOYSA-N 0 0 439.556 2.595 50 0 IFAARN CC1CCN(C(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccccc4)s3)C2)CC1 ZINC000033263396 520986918 /nfs/dbraw/zinc/98/69/18/520986918.db2.gz FNRIFXJOIPTHMS-MRXNPFEDSA-N 0 0 441.557 2.901 50 0 IFAARN CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)cc1OC ZINC000021657538 520992328 /nfs/dbraw/zinc/99/23/28/520992328.db2.gz AQKICXQKBUYJNL-QGZVFWFLSA-N 0 0 425.485 2.722 50 0 IFAARN CCN(CCCNC(=O)CN(C)c1nnc(N2CCCCC2=O)s1)c1cccc(C)c1 ZINC000021027634 521017702 /nfs/dbraw/zinc/01/77/02/521017702.db2.gz ZRFNUAULPCJTAA-UHFFFAOYSA-N 0 0 444.605 2.832 50 0 IFAARN CCOc1ccc(N2CCn3c2nnc(C(=O)NCc2ccc(Cl)cc2)c3=O)cc1 ZINC000012234138 521043375 /nfs/dbraw/zinc/04/33/75/521043375.db2.gz SYFIXHVREJDMPK-UHFFFAOYSA-N 0 0 425.876 2.772 50 0 IFAARN CCOC(=O)[C@@H](C)n1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1cccc(OC)c1 ZINC000034693322 521046111 /nfs/dbraw/zinc/04/61/11/521046111.db2.gz PIMXYPQRTLYBPE-MRXNPFEDSA-N 0 0 448.479 2.530 50 0 IFAARN CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3OCC)CC2)cc1 ZINC000020766923 521061013 /nfs/dbraw/zinc/06/10/13/521061013.db2.gz LTEYULCOLAOPAF-UHFFFAOYSA-N 0 0 440.544 2.679 50 0 IFAARN CCC(=O)N(c1nnc(SCC(=O)N(C)Cc2ccc3c(c2)OCCO3)s1)C1CC1 ZINC000012915661 521092289 /nfs/dbraw/zinc/09/22/89/521092289.db2.gz AALCBTLCVUMFLB-UHFFFAOYSA-N 0 0 448.570 2.965 50 0 IFAARN CCN(CCO)C(=O)c1cnn(-c2nccc(-c3ccc(OC)c(F)c3)n2)c1C1CC1 ZINC000012453105 521094899 /nfs/dbraw/zinc/09/48/99/521094899.db2.gz MSKJGDSLRKBTSJ-UHFFFAOYSA-N 0 0 425.464 2.809 50 0 IFAARN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 ZINC000015943278 521102694 /nfs/dbraw/zinc/10/26/94/521102694.db2.gz ITEDZYPBKAVXRB-YWZLYKJASA-N 0 0 434.558 2.871 50 0 IFAARN CCOc1ccc(NC(=O)c2c(C)nn(C)c2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000022324070 521113386 /nfs/dbraw/zinc/11/33/86/521113386.db2.gz QDSHTDCMMBKPSM-UHFFFAOYSA-N 0 0 426.926 2.817 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)Nc3cc(C)ccn3)C(C)C)ccc21 ZINC000020234372 521157138 /nfs/dbraw/zinc/15/71/38/521157138.db2.gz WGQKUHGGUZHDNM-OAQYLSRUSA-N 0 0 444.557 2.631 50 0 IFAARN CCOc1ccc(OCCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000012675614 521171054 /nfs/dbraw/zinc/17/10/54/521171054.db2.gz WBGVHBLBMRWIHL-UHFFFAOYSA-N 0 0 434.514 2.514 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1C ZINC000012420579 521196595 /nfs/dbraw/zinc/19/65/95/521196595.db2.gz LBRHZTGRQAJGLN-UHFFFAOYSA-N 0 0 432.542 2.937 50 0 IFAARN CCC(=O)[C@@H]1CCCN(Cc2cnc(S(=O)(=O)CCOC)n2Cc2ccccc2)C1 ZINC000015073573 521237580 /nfs/dbraw/zinc/23/75/80/521237580.db2.gz DKOSAOSGOWRZLU-LJQANCHMSA-N 0 0 433.574 2.543 50 0 IFAARN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCN(CC(=O)NC2CC2)CC1 ZINC000023249081 521284862 /nfs/dbraw/zinc/28/48/62/521284862.db2.gz SVMTWKXNDUSIQG-UHFFFAOYSA-N 0 0 440.588 2.510 50 0 IFAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(Br)c3)C2)C1 ZINC000034916567 521293357 /nfs/dbraw/zinc/29/33/57/521293357.db2.gz DJHGIXMLEHXMBG-JKSUJKDBSA-N 0 0 437.334 2.599 50 0 IFAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000021840689 521325871 /nfs/dbraw/zinc/32/58/71/521325871.db2.gz LYHKFRJRYMATTK-UHFFFAOYSA-N 0 0 426.560 2.519 50 0 IFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCCc4ccc(C)cc4)CC3)sc2n1 ZINC000020866129 521346721 /nfs/dbraw/zinc/34/67/21/521346721.db2.gz GFLYXDHJFGRAEC-UHFFFAOYSA-N 0 0 439.585 2.987 50 0 IFAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000012701610 521355248 /nfs/dbraw/zinc/35/52/48/521355248.db2.gz FOIBUVMTMRDTRU-QFIPXVFZSA-N 0 0 445.422 2.768 50 0 IFAARN CCCCn1c(=O)[nH]nc1SCC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000012889128 521355678 /nfs/dbraw/zinc/35/56/78/521355678.db2.gz ZGFTUTOFYNMHBJ-UHFFFAOYSA-N 0 0 446.573 2.863 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1C ZINC000012917545 521362353 /nfs/dbraw/zinc/36/23/53/521362353.db2.gz PJUZRHAWPHGQHB-UHFFFAOYSA-N 0 0 447.557 2.572 50 0 IFAARN CCCCn1c(COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)nc2cc(S(N)(=O)=O)ccc21 ZINC000021281188 521364362 /nfs/dbraw/zinc/36/43/62/521364362.db2.gz ZEZUAKYBQGHLKU-XYPWUTKMSA-N 0 0 447.557 2.922 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000020582409 521381935 /nfs/dbraw/zinc/38/19/35/521381935.db2.gz SVFRXERYRVUORS-GOSISDBHSA-N 0 0 447.557 2.525 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 ZINC000020582443 521382352 /nfs/dbraw/zinc/38/23/52/521382352.db2.gz VBUUBINDSIRRFK-UHFFFAOYSA-N 0 0 427.910 2.721 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CSc1ncc2ccccn21 ZINC000012540770 521386661 /nfs/dbraw/zinc/38/66/61/521386661.db2.gz BABMFYVBKIAUJK-UHFFFAOYSA-N 0 0 432.527 2.971 50 0 IFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)Nc1cccc(C)c1C ZINC000021717634 521399470 /nfs/dbraw/zinc/39/94/70/521399470.db2.gz DLDKEVGRHXXGCK-UHFFFAOYSA-N 0 0 435.546 2.835 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C(C)C)no3)CC2)cc1 ZINC000035279550 521407434 /nfs/dbraw/zinc/40/74/34/521407434.db2.gz AYCNYAKFBBBGCR-UHFFFAOYSA-N 0 0 434.562 2.696 50 0 IFAARN CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000023817773 521416645 /nfs/dbraw/zinc/41/66/45/521416645.db2.gz AWRFXYZYMYLURF-XMMPIXPASA-N 0 0 437.496 2.509 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2Cl)cn1C ZINC000035376278 521447789 /nfs/dbraw/zinc/44/77/89/521447789.db2.gz QRZDKGZCYOHPQI-MRXNPFEDSA-N 0 0 439.921 2.647 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1C ZINC000020467522 521447949 /nfs/dbraw/zinc/44/79/49/521447949.db2.gz XAFZUDKQWONUBL-UHFFFAOYSA-N 0 0 445.463 2.732 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(c1ccccc1OC)C2=O ZINC000021879111 521450749 /nfs/dbraw/zinc/45/07/49/521450749.db2.gz AWNDILAXTKTGFO-QHCPKHFHSA-N 0 0 440.500 2.546 50 0 IFAARN CCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)[C@@H]1CCS(=O)(=O)C1 ZINC000012766878 521453014 /nfs/dbraw/zinc/45/30/14/521453014.db2.gz HUBYVESXRKOCDG-CQSZACIVSA-N 0 0 437.587 2.532 50 0 IFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(Cc1ccccc1)C2=O ZINC000021781530 521454574 /nfs/dbraw/zinc/45/45/74/521454574.db2.gz PUSMAZDDRIYKJU-VWLOTQADSA-N 0 0 446.507 2.791 50 0 IFAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000012782525 521454886 /nfs/dbraw/zinc/45/48/86/521454886.db2.gz IXABMIURZOTHOH-MRXNPFEDSA-N 0 0 427.892 2.725 50 0 IFAARN CCOC(=O)c1ccc(-n2c(-c3cccs3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000012411118 521461475 /nfs/dbraw/zinc/46/14/75/521461475.db2.gz UUCFBADYYUKNED-UHFFFAOYSA-N 0 0 449.492 2.581 50 0 IFAARN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000035325253 521490241 /nfs/dbraw/zinc/49/02/41/521490241.db2.gz XQVVGBPCEVHFCF-SFHVURJKSA-N 0 0 449.548 2.934 50 0 IFAARN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccccc2)C1 ZINC000015677805 521490358 /nfs/dbraw/zinc/49/03/58/521490358.db2.gz CUTURUXILSJXMY-HXUWFJFHSA-N 0 0 445.585 2.837 50 0 IFAARN CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1nc3ccccc3n1C)CC2 ZINC000014747684 521526943 /nfs/dbraw/zinc/52/69/43/521526943.db2.gz ZCNCZFQAOWQVFD-UHFFFAOYSA-N 0 0 432.528 2.787 50 0 IFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC000012805133 521527636 /nfs/dbraw/zinc/52/76/36/521527636.db2.gz CTMAFZUAORQRTO-UHFFFAOYSA-N 0 0 432.546 2.596 50 0 IFAARN CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCc1cccc(C)c1 ZINC000021919813 521537636 /nfs/dbraw/zinc/53/76/36/521537636.db2.gz JFSHAAXVGLMPLQ-VWLOTQADSA-N 0 0 432.524 2.617 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)CN2C(=O)CSc3ccc(C(=O)N(C)C)cc32)c1 ZINC000035402774 521538606 /nfs/dbraw/zinc/53/86/06/521538606.db2.gz HUYRNVRMESGTPF-UHFFFAOYSA-N 0 0 441.509 2.643 50 0 IFAARN CCN1C2=C(C(=O)N(CC(=O)N3CCCC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035967528 521541046 /nfs/dbraw/zinc/54/10/46/521541046.db2.gz QCKDVCBZGUJOGK-GOSISDBHSA-N 0 0 436.434 2.510 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)c1 ZINC000033124892 521541843 /nfs/dbraw/zinc/54/18/43/521541843.db2.gz GXZQRPCGYFYIIK-AWEZNQCLSA-N 0 0 425.416 2.954 50 0 IFAARN CCN1C2=C(C(=O)N(CC(=O)Nc3ccc(OC)cc3)C2)[C@H](c2ccsc2)NC1=O ZINC000034791721 521543603 /nfs/dbraw/zinc/54/36/03/521543603.db2.gz ODYYYSGGCOATGG-IBGZPJMESA-N 0 0 426.498 2.578 50 0 IFAARN CCN1C2=C(C(=O)N([C@@H](C)C(=O)NCc3ccco3)C2)[C@H](c2ccccc2Cl)NC1=O ZINC000035967715 521543990 /nfs/dbraw/zinc/54/39/90/521543990.db2.gz DTCRRSRWVOOAOG-DJJJIMSYSA-N 0 0 442.903 2.820 50 0 IFAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)C(C)=O ZINC000036013423 521550979 /nfs/dbraw/zinc/55/09/79/521550979.db2.gz LWZNEQUKLAFIHA-UHFFFAOYSA-N 0 0 440.519 2.985 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012553867 521550998 /nfs/dbraw/zinc/55/09/98/521550998.db2.gz LDGYNTDCBKFKPO-UHFFFAOYSA-N 0 0 431.514 2.698 50 0 IFAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2C)c1=O ZINC000012237642 521553901 /nfs/dbraw/zinc/55/39/01/521553901.db2.gz BOZBRWMDCVUYPY-UHFFFAOYSA-N 0 0 431.452 2.706 50 0 IFAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCNC(=O)c1ccccc1OC ZINC000012910460 521554207 /nfs/dbraw/zinc/55/42/07/521554207.db2.gz JYLQMNXHURZBRB-UHFFFAOYSA-N 0 0 427.501 2.701 50 0 IFAARN CCC(CC)[C@@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)N1CCOCC1 ZINC000022899043 521602946 /nfs/dbraw/zinc/60/29/46/521602946.db2.gz KRDJYVKZIRGDHA-OAQYLSRUSA-N 0 0 426.561 2.925 50 0 IFAARN CCOC(=O)c1sc(NC(=O)Cn2cnc3sccc3c2=O)c(C(=O)OCC)c1C ZINC000012786198 521613262 /nfs/dbraw/zinc/61/32/62/521613262.db2.gz JNVFVAGCYSIZSE-UHFFFAOYSA-N 0 0 449.510 2.820 50 0 IFAARN CCC(CC)[C@H](CNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O)N1CCOCC1 ZINC000022898976 521618445 /nfs/dbraw/zinc/61/84/45/521618445.db2.gz JFFFYUKDLOBOOP-FQEVSTJZSA-N 0 0 430.524 2.547 50 0 IFAARN CCCn1c(=O)cc(C(=O)Nc2ccc(F)cc2Cl)c2c(=O)n(CCC)c(=O)n(C)c21 ZINC000035422380 521619826 /nfs/dbraw/zinc/61/98/26/521619826.db2.gz VEPIDENIURGCPC-UHFFFAOYSA-N 0 0 448.882 2.727 50 0 IFAARN CCCn1c(COC(=O)c2ccc3c(c2)OCO3)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000021946021 521631045 /nfs/dbraw/zinc/63/10/45/521631045.db2.gz KGNOWPFNSAWFIS-UHFFFAOYSA-N 0 0 445.497 2.782 50 0 IFAARN CCCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccncc1 ZINC000024417588 521633283 /nfs/dbraw/zinc/63/32/83/521633283.db2.gz MVMUABIMAWAUNL-UHFFFAOYSA-N 0 0 440.485 2.919 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1 ZINC000012443016 521650398 /nfs/dbraw/zinc/65/03/98/521650398.db2.gz UMFGLWOEJDHYCP-UHFFFAOYSA-N 0 0 446.533 2.842 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2)[C@](C)(C(=O)NC2CCCCCCC2)C1 ZINC000020928324 521659837 /nfs/dbraw/zinc/65/98/37/521659837.db2.gz AIMKHWMEQWTMEN-QHCPKHFHSA-N 0 0 449.617 2.981 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2cc(C)cc(C)c2)[C@](C)(C(=O)NC2CCCCCC2)C1 ZINC000020928383 521659975 /nfs/dbraw/zinc/65/99/75/521659975.db2.gz YXOMLGBELDEJJL-QHCPKHFHSA-N 0 0 449.617 2.899 50 0 IFAARN CCN1CCN(C(=O)C[C@H](c2ccc(OC)c(OC)c2)N2Cc3ccccc3C2=O)CC1 ZINC000021530550 521664109 /nfs/dbraw/zinc/66/41/09/521664109.db2.gz MIHWNPFGZSJEQW-OAQYLSRUSA-N 0 0 437.540 2.955 50 0 IFAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3cccs3)c2)CC1 ZINC000033000343 521690484 /nfs/dbraw/zinc/69/04/84/521690484.db2.gz CYUTUSDYNBJMEZ-UHFFFAOYSA-N 0 0 442.006 3.000 50 0 IFAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3)ncn2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021919069 521702311 /nfs/dbraw/zinc/70/23/11/521702311.db2.gz ZXZZXWQXVYUCPC-DEOSSOPVSA-N 0 0 439.560 2.600 50 0 IFAARN CCOCCCNC(=O)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000033258881 521710752 /nfs/dbraw/zinc/71/07/52/521710752.db2.gz BZYHCYVBZCBAAG-UHFFFAOYSA-N 0 0 449.555 2.599 50 0 IFAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CC1)C[C@H]1CCCO1 ZINC000036031633 521739555 /nfs/dbraw/zinc/73/95/55/521739555.db2.gz XYAHLTVTYWPBGG-HXUWFJFHSA-N 0 0 446.573 2.902 50 0 IFAARN CCNC(=O)N1C[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H](c2cccc(OC)c2OC)C1 ZINC000036055245 521740802 /nfs/dbraw/zinc/74/08/02/521740802.db2.gz BBWKVPLXDJFVNX-RTBURBONSA-N 0 0 429.492 2.904 50 0 IFAARN CCNC(=O)N1C[C@H](C(=O)NCc2ccc(F)cc2)[C@@H](c2cccc(OC)c2OC)C1 ZINC000036055247 521740832 /nfs/dbraw/zinc/74/08/32/521740832.db2.gz BBWKVPLXDJFVNX-MOPGFXCFSA-N 0 0 429.492 2.904 50 0 IFAARN CCNC(=O)NC(=O)[C@H](C)Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1 ZINC000012929170 521742351 /nfs/dbraw/zinc/74/23/51/521742351.db2.gz KCZSYVAXHVWOSI-KFWWJZLASA-N 0 0 434.566 2.728 50 0 IFAARN CCNC(=O)NC(=O)[C@H](C)Sc1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccco1 ZINC000012929158 521742377 /nfs/dbraw/zinc/74/23/77/521742377.db2.gz KCZSYVAXHVWOSI-ZNMIVQPWSA-N 0 0 434.566 2.728 50 0 IFAARN CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 ZINC000020487088 521748858 /nfs/dbraw/zinc/74/88/58/521748858.db2.gz ROCTZGCIDYRJTO-UHFFFAOYSA-N 0 0 429.542 2.762 50 0 IFAARN CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)c1 ZINC000035452794 521748965 /nfs/dbraw/zinc/74/89/65/521748965.db2.gz KPUABQXRCGWAQI-CQSZACIVSA-N 0 0 431.514 2.536 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCN([C@H](C(=O)OC)c3ccccc3Cl)CC2)c1C ZINC000012929388 521749267 /nfs/dbraw/zinc/74/92/67/521749267.db2.gz CCRMYICBWFCLIQ-IBGZPJMESA-N 0 0 447.919 2.744 50 0 IFAARN COC(=O)c1c(C)c(C(=O)CN(C[C@H]2CCCO2)C(=O)c2cccc(OC)c2)c(C)n1C ZINC000036014506 521751880 /nfs/dbraw/zinc/75/18/80/521751880.db2.gz DHXNHVPHAYGCQI-LJQANCHMSA-N 0 0 442.512 2.941 50 0 IFAARN CCc1cccc(NC(=O)Cn2c3cn(CC)nc3c(=O)n(Cc3ccc(C)cc3)c2=O)c1 ZINC000021713815 521755549 /nfs/dbraw/zinc/75/55/49/521755549.db2.gz OBVSPIIDCVHMJZ-UHFFFAOYSA-N 0 0 445.523 2.937 50 0 IFAARN CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccc(C)cc2)CC3)n1CC ZINC000033287920 521791450 /nfs/dbraw/zinc/79/14/50/521791450.db2.gz UAAGYSBUBPODCC-UHFFFAOYSA-N 0 0 446.602 2.866 50 0 IFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1OC)C(=O)OC ZINC000253483620 521846840 /nfs/dbraw/zinc/84/68/40/521846840.db2.gz IMHMHQBFJNVXRB-BOFPYLFWSA-N 0 0 430.505 2.672 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@H](C)O2 ZINC000035452552 521864363 /nfs/dbraw/zinc/86/43/63/521864363.db2.gz ROJBJJMJKRHJJN-AWEZNQCLSA-N 0 0 431.514 2.536 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@@H](CC)O2 ZINC000035453059 521865667 /nfs/dbraw/zinc/86/56/67/521865667.db2.gz KVCGUIUBHXUYJM-GOSISDBHSA-N 0 0 445.541 2.926 50 0 IFAARN CCc1ccccc1NC(=O)Cn1c2cn(CC)nc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000021713678 521881311 /nfs/dbraw/zinc/88/13/11/521881311.db2.gz DUYUGEPCLVUUMF-UHFFFAOYSA-N 0 0 449.486 2.768 50 0 IFAARN COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc(C(=O)OC)c1 ZINC000012785902 521885403 /nfs/dbraw/zinc/88/54/03/521885403.db2.gz GUKOHCYNCLMGRC-MRXNPFEDSA-N 0 0 444.871 2.900 50 0 IFAARN CCc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000035449179 521904097 /nfs/dbraw/zinc/90/40/97/521904097.db2.gz HATHHEHWQJRSMQ-GOSISDBHSA-N 0 0 443.525 2.680 50 0 IFAARN CC[C@@H](C)C(=O)N1CCC([C@@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 ZINC000012035943 521904155 /nfs/dbraw/zinc/90/41/55/521904155.db2.gz VUVOYCWYNHDHQQ-IQMFZBJNSA-N 0 0 431.533 2.799 50 0 IFAARN COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(c1cccc(F)c1)C2=O ZINC000021878251 521920204 /nfs/dbraw/zinc/92/02/04/521920204.db2.gz RKLZPSNELVAMEY-QFIPXVFZSA-N 0 0 428.464 2.677 50 0 IFAARN CNC(=O)c1cn(CCC(C)C)cc(C(=O)N2CCOc3ccc(Cl)cc3C2)c1=O ZINC000012278734 521926247 /nfs/dbraw/zinc/92/62/47/521926247.db2.gz KVMQMKAAVOWANF-UHFFFAOYSA-N 0 0 431.920 2.942 50 0 IFAARN COc1cc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc2c1OCCO2 ZINC000021888957 521931894 /nfs/dbraw/zinc/93/18/94/521931894.db2.gz ULPZLQPLJZIISQ-SOFGYWHQSA-N 0 0 432.498 2.677 50 0 IFAARN COc1cc(/C=C2\N=C(c3ccc(OC(F)F)cc3)OC2=O)cc(OC)c1OCC(N)=O ZINC000014248415 521965580 /nfs/dbraw/zinc/96/55/80/521965580.db2.gz QOADYVDTJTYFSN-AUWJEWJLSA-N 0 0 448.378 2.514 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012779129 521980398 /nfs/dbraw/zinc/98/03/98/521980398.db2.gz FNXGVEXLDFVIPE-UHFFFAOYSA-N 0 0 446.525 2.961 50 0 IFAARN COC(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000020898390 521982686 /nfs/dbraw/zinc/98/26/86/521982686.db2.gz XZIAUFOHTGTUIO-UHFFFAOYSA-N 0 0 430.526 2.962 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(Cn3cccn3)cc2)c1 ZINC000012625553 521983621 /nfs/dbraw/zinc/98/36/21/521983621.db2.gz FSTRBYBGCITDBN-UHFFFAOYSA-N 0 0 432.933 2.765 50 0 IFAARN COC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000012860540 522024278 /nfs/dbraw/zinc/02/42/78/522024278.db2.gz CZLBFZLFMPIEKF-AWEZNQCLSA-N 0 0 442.946 2.658 50 0 IFAARN COc1cc(C(=O)N2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc(OC)c1OC ZINC000020556518 522070741 /nfs/dbraw/zinc/07/07/41/522070741.db2.gz LFOWUZLLXKWWRI-UHFFFAOYSA-N 0 0 437.496 2.572 50 0 IFAARN COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(Nc4cccc(OC)c4)CC3)C2=O)cc1 ZINC000012371600 522078047 /nfs/dbraw/zinc/07/80/47/522078047.db2.gz BLBPLMJXFGFVHR-OAQYLSRUSA-N 0 0 437.496 2.690 50 0 IFAARN CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000012196560 522088495 /nfs/dbraw/zinc/08/84/95/522088495.db2.gz XQPRILPOPAMHHC-OAHLLOKOSA-N 0 0 427.320 2.759 50 0 IFAARN COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)cc1 ZINC000021940996 522090499 /nfs/dbraw/zinc/09/04/99/522090499.db2.gz GAGKZFZOWKNYBU-UHFFFAOYSA-N 0 0 433.468 2.749 50 0 IFAARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 ZINC000020732925 522112384 /nfs/dbraw/zinc/11/23/84/522112384.db2.gz RQSVXQILTGGTCZ-QGZVFWFLSA-N 0 0 426.469 2.520 50 0 IFAARN COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000009661609 522117959 /nfs/dbraw/zinc/11/79/59/522117959.db2.gz OXVYAPNCMMAFDD-UHFFFAOYSA-N 0 0 432.436 2.766 50 0 IFAARN COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N3CCC[C@@H](O)C3)c21 ZINC000012098972 522139266 /nfs/dbraw/zinc/13/92/66/522139266.db2.gz YCGDGLJHILCPCQ-GOSISDBHSA-N 0 0 428.533 2.798 50 0 IFAARN COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NCCn3cccn3)c21 ZINC000012152079 522139475 /nfs/dbraw/zinc/13/94/75/522139475.db2.gz YHKJCMARUAOJQW-UHFFFAOYSA-N 0 0 438.532 2.828 50 0 IFAARN CCc1nc(-c2ccc(N3CCN(C(=O)CNC(=O)c4ccc(C)cc4)CC3)cc2)no1 ZINC000035552721 522147105 /nfs/dbraw/zinc/14/71/05/522147105.db2.gz RCKJINRJIMULFZ-UHFFFAOYSA-N 0 0 433.512 2.686 50 0 IFAARN COc1cc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2C)cc(OC)c1OC ZINC000012445932 522155505 /nfs/dbraw/zinc/15/55/05/522155505.db2.gz WMNJKGCEISBKGT-UHFFFAOYSA-N 0 0 444.484 2.511 50 0 IFAARN COc1cc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc(OC)c1OCC(N)=O ZINC000012603713 522158313 /nfs/dbraw/zinc/15/83/13/522158313.db2.gz NJVVNPKQMPNDQC-UHFFFAOYSA-N 0 0 438.484 2.896 50 0 IFAARN COc1cc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)o2)cc(OC)c1OC ZINC000033169826 522167028 /nfs/dbraw/zinc/16/70/28/522167028.db2.gz OVPRJYCSFNAATO-AWEZNQCLSA-N 0 0 438.440 2.868 50 0 IFAARN COc1cc(C(=O)OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc(OC)c1OC ZINC000021173105 522168901 /nfs/dbraw/zinc/16/89/01/522168901.db2.gz QULXQXIOTSLABG-CYBMUJFWSA-N 0 0 431.441 2.518 50 0 IFAARN CC[C@H](CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000035334028 522184143 /nfs/dbraw/zinc/18/41/43/522184143.db2.gz PSHSNVYKFLYUOI-RTBURBONSA-N 0 0 447.576 2.831 50 0 IFAARN COC(=O)c1cccc(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)Cn2cncn2)C3)c1 ZINC000012149992 522187817 /nfs/dbraw/zinc/18/78/17/522187817.db2.gz PHKWTVCQQVXIJV-QGZVFWFLSA-N 0 0 426.860 2.505 50 0 IFAARN CN(C)c1ccc(NC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 ZINC000022420696 522221942 /nfs/dbraw/zinc/22/19/42/522221942.db2.gz DBBWVGJFSUPKNZ-UHFFFAOYSA-N 0 0 430.452 2.864 50 0 IFAARN CN(C)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000020803703 522225818 /nfs/dbraw/zinc/22/58/18/522225818.db2.gz FNWILMYWMUQMMP-UHFFFAOYSA-N 0 0 429.952 2.601 50 0 IFAARN COC(=O)c1cccc2c1CCCN2C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012920371 522250968 /nfs/dbraw/zinc/25/09/68/522250968.db2.gz PRMCWAJAIDCNLC-UHFFFAOYSA-N 0 0 436.917 2.727 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc(C)c1C ZINC000012911514 522256998 /nfs/dbraw/zinc/25/69/98/522256998.db2.gz RXYDULLFVPUZMZ-GOSISDBHSA-N 0 0 430.526 2.960 50 0 IFAARN CNS(=O)(=O)c1cc(C(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)ccc1OC ZINC000012548292 522267408 /nfs/dbraw/zinc/26/74/08/522267408.db2.gz QOMNHSCISBBPQC-MRXNPFEDSA-N 0 0 448.570 2.704 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1cccc(Cl)c1)[C@](C)(C(=O)NC1CCCC1)C2 ZINC000021781620 522393082 /nfs/dbraw/zinc/39/30/82/522393082.db2.gz SWWJYZFKRMQVKK-QFIPXVFZSA-N 0 0 444.919 2.797 50 0 IFAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1C)[C@](C)(C(=O)NCc1ccccc1)C2 ZINC000021926424 522393616 /nfs/dbraw/zinc/39/36/16/522393616.db2.gz HIZBCPHCKNNVAG-VWLOTQADSA-N 0 0 446.507 2.709 50 0 IFAARN CN(CC(=O)N1CCOCC1)C(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1 ZINC000012740392 522445356 /nfs/dbraw/zinc/44/53/56/522445356.db2.gz QQMQCDKTEAHOEG-UHFFFAOYSA-N 0 0 446.479 2.810 50 0 IFAARN CN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000012744420 522452371 /nfs/dbraw/zinc/45/23/71/522452371.db2.gz DWYLVRIABMZPDY-SJLPKXTDSA-N 0 0 441.509 2.822 50 0 IFAARN CN(CC(=O)NCCCc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(Cl)s1 ZINC000022489726 522476716 /nfs/dbraw/zinc/47/67/16/522476716.db2.gz GUMQIANNCDYQGE-UHFFFAOYSA-N 0 0 426.951 2.647 50 0 IFAARN CN(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000021532045 522488768 /nfs/dbraw/zinc/48/87/68/522488768.db2.gz VKMRNPVSOOIXII-UHFFFAOYSA-N 0 0 435.933 2.552 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCN1C(=O)COc2ccccc21 ZINC000012733236 522516876 /nfs/dbraw/zinc/51/68/76/522516876.db2.gz AENXPVJAFALVDJ-UHFFFAOYSA-N 0 0 435.402 2.918 50 0 IFAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CN1CCN(c2ccccc2)CC1 ZINC000012517404 522517415 /nfs/dbraw/zinc/51/74/15/522517415.db2.gz BTTFREZRWCVDOM-UHFFFAOYSA-N 0 0 445.361 2.668 50 0 IFAARN COc1cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)cc1Cl ZINC000012815903 522652410 /nfs/dbraw/zinc/65/24/10/522652410.db2.gz XPIJEGJHFYWPAP-UHFFFAOYSA-N 0 0 441.889 2.931 50 0 IFAARN COc1cc(NC(=O)CNC2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)cc(OC)c1 ZINC000020992459 522662335 /nfs/dbraw/zinc/66/23/35/522662335.db2.gz HXERKLQJJRHJLG-UHFFFAOYSA-N 0 0 433.461 2.544 50 0 IFAARN COc1cc(NC(=O)Cn2cnc3c4cccnc4sc3c2=O)cc(OC)c1OC ZINC000012415253 522678071 /nfs/dbraw/zinc/67/80/71/522678071.db2.gz UAALMQSJLCDGMV-UHFFFAOYSA-N 0 0 426.454 2.671 50 0 IFAARN COc1cc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(OC)cc1Cl ZINC000022512175 522709077 /nfs/dbraw/zinc/70/90/77/522709077.db2.gz WFQQZXZKCQMBHJ-KRWDZBQOSA-N 0 0 426.878 2.523 50 0 IFAARN COc1cc(NC(=O)c2c(C)oc3ncnc(N4CCOCC4)c32)cc(OC)c1OC ZINC000020942202 522717495 /nfs/dbraw/zinc/71/74/95/522717495.db2.gz SJZHMBSLPOZZNV-UHFFFAOYSA-N 0 0 428.445 2.646 50 0 IFAARN COCC(=O)Nc1cnn(-c2cccc(C(=O)NCCN3CCCc4ccccc43)c2)c1 ZINC000012149024 522787365 /nfs/dbraw/zinc/78/73/65/522787365.db2.gz LXYWAEMKSWLBNW-UHFFFAOYSA-N 0 0 433.512 2.640 50 0 IFAARN CCc1noc(C)c1C(=O)OCC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000021512566 522833007 /nfs/dbraw/zinc/83/30/07/522833007.db2.gz JAJCORAWLDWKIP-UHFFFAOYSA-N 0 0 438.278 2.528 50 0 IFAARN COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)CCCCC1 ZINC000012932353 522845555 /nfs/dbraw/zinc/84/55/55/522845555.db2.gz NRSYNKDVFOHXBL-CYBMUJFWSA-N 0 0 438.908 2.702 50 0 IFAARN CN(CCNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000012613459 522847453 /nfs/dbraw/zinc/84/74/53/522847453.db2.gz TYMIULHOCYOPDJ-UHFFFAOYSA-N 0 0 445.463 2.506 50 0 IFAARN COc1cc(OC)cc(N2C(=O)c3cc(C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000035477318 522861017 /nfs/dbraw/zinc/86/10/17/522861017.db2.gz BOKVCMJEKNCFEL-DEOSSOPVSA-N 0 0 434.496 2.944 50 0 IFAARN COCc1c(C(=O)NCc2ccccn2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000015067365 522898710 /nfs/dbraw/zinc/89/87/10/522898710.db2.gz JMBMWSFATNMGTL-UHFFFAOYSA-N 0 0 426.480 2.899 50 0 IFAARN COCc1c(C(=O)NCc2ccon2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012325456 522899435 /nfs/dbraw/zinc/89/94/35/522899435.db2.gz HAQBGBRJLQTCLH-UHFFFAOYSA-N 0 0 430.468 2.882 50 0 IFAARN COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)ccc1O ZINC000035066400 522928492 /nfs/dbraw/zinc/92/84/92/522928492.db2.gz QCKNOIILUDZJLU-VKJFTORMSA-N 0 0 428.338 2.644 50 0 IFAARN COC(=O)CCCC(=O)N1CCC(n2nccc2NC(=O)[C@H](OC)c2ccccc2)CC1 ZINC000012455261 522953617 /nfs/dbraw/zinc/95/36/17/522953617.db2.gz AEVITCLHXBUSMR-JOCHJYFZSA-N 0 0 442.516 2.716 50 0 IFAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 ZINC000012378219 523029334 /nfs/dbraw/zinc/02/93/34/523029334.db2.gz HCFCAOHUYQIYTQ-HNNXBMFYSA-N 0 0 441.509 2.776 50 0 IFAARN COc1cc2nc(CN3CCN(c4ccc(C(C)=O)cc4F)CC3)[nH]c(=O)c2cc1OC ZINC000012634816 523063422 /nfs/dbraw/zinc/06/34/22/523063422.db2.gz LFDYJGDRZJPKGC-UHFFFAOYSA-N 0 0 440.475 2.604 50 0 IFAARN COc1ccc(-c2c3c(cn2-c2ccc4[nH]cnc4c2)n(C)c(=O)n(C)c3=O)cc1OC ZINC000020719220 523081325 /nfs/dbraw/zinc/08/13/25/523081325.db2.gz LGFXNPIUJUAYFX-UHFFFAOYSA-N 0 0 431.452 2.588 50 0 IFAARN COc1ccc(-c2cc(C(=O)N(CC(=O)N3CCN(C)CC3)Cc3ccccc3)no2)cc1 ZINC000035989619 523092224 /nfs/dbraw/zinc/09/22/24/523092224.db2.gz XRIREEZSVCSAHX-UHFFFAOYSA-N 0 0 448.523 2.767 50 0 IFAARN COc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)[nH]n2)cc1S(=O)(=O)N(C)C ZINC000021806298 523098494 /nfs/dbraw/zinc/09/84/94/523098494.db2.gz NAGBCPNLWGFLNT-UHFFFAOYSA-N 0 0 448.932 2.919 50 0 IFAARN COc1ccc(-c2cc(C(=O)Nc3cccc(C)n3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011906930 523101581 /nfs/dbraw/zinc/10/15/81/523101581.db2.gz VJQMVDLPNBCPNY-INIZCTEOSA-N 0 0 426.498 2.874 50 0 IFAARN CCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2c(F)cccc2Cl)n(C)c1=O ZINC000012231815 523104868 /nfs/dbraw/zinc/10/48/68/523104868.db2.gz WQEFOBMNAHJSMP-UHFFFAOYSA-N 0 0 430.871 2.560 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccc(SC)cc4)ncn3n2)cc1 ZINC000021525903 523118112 /nfs/dbraw/zinc/11/81/12/523118112.db2.gz PMHPBWICBYQNSB-UHFFFAOYSA-N 0 0 449.536 2.647 50 0 IFAARN COc1ccc(-c2nc(SCC(=O)N3CCN(C(=O)c4cccs4)CC3)n[nH]2)cc1 ZINC000022082562 523175637 /nfs/dbraw/zinc/17/56/37/523175637.db2.gz NIEMOJLJVRMXCI-UHFFFAOYSA-N 0 0 443.554 2.619 50 0 IFAARN CCn1c(CCC(=O)N(C)Cc2cccs2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012525316 523178787 /nfs/dbraw/zinc/17/87/87/523178787.db2.gz XXRRJFLUJLEYKV-UHFFFAOYSA-N 0 0 434.587 2.959 50 0 IFAARN CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)N1CCc2ccccc2C1 ZINC000012127297 523187951 /nfs/dbraw/zinc/18/79/51/523187951.db2.gz ZNNZTARIJWKKKD-UHFFFAOYSA-N 0 0 427.574 2.878 50 0 IFAARN COC(=O)CNC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033113461 523195350 /nfs/dbraw/zinc/19/53/50/523195350.db2.gz RNMJXTFRKPBPFM-LLVKDONJSA-N 0 0 437.909 2.506 50 0 IFAARN COc1ccc(-c2nc(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)c(C)o2)c(C)c1C ZINC000020455535 523204235 /nfs/dbraw/zinc/20/42/35/523204235.db2.gz QGUKYONIJVLSIT-SFHVURJKSA-N 0 0 433.574 2.580 50 0 IFAARN COc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C[C@@H]2CCCO2)cc1 ZINC000012535306 523224498 /nfs/dbraw/zinc/22/44/98/523224498.db2.gz KVFOWPGTKPMRHQ-IBGZPJMESA-N 0 0 432.480 2.789 50 0 IFAARN COC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1CCN1CCOCC1 ZINC000022720995 523247105 /nfs/dbraw/zinc/24/71/05/523247105.db2.gz LHBFNEJRUXPQPE-UHFFFAOYSA-N 0 0 445.566 2.722 50 0 IFAARN CCn1c2c(nc1-n1nc(C)c(C)c1C)n(C)c(=O)n(Cc1c(F)cccc1Cl)c2=O ZINC000012231976 523255530 /nfs/dbraw/zinc/25/55/30/523255530.db2.gz YZIXZVKPLHMSLT-UHFFFAOYSA-N 0 0 444.898 2.868 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)n2N)cc1OC ZINC000012348783 523259083 /nfs/dbraw/zinc/25/90/83/523259083.db2.gz VMESNGRNWKFRHW-UHFFFAOYSA-N 0 0 427.486 2.610 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)NCCc3cccc(Cl)c3)n2N)c(OC)c1 ZINC000024173984 523259611 /nfs/dbraw/zinc/25/96/11/523259611.db2.gz SGIGCGJQRVJFEP-UHFFFAOYSA-N 0 0 447.948 2.781 50 0 IFAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)n2N)c(OC)c1 ZINC000021576499 523260122 /nfs/dbraw/zinc/26/01/22/523260122.db2.gz SLQLIXZRYSRXBK-GOSISDBHSA-N 0 0 439.541 2.962 50 0 IFAARN COc1ccc(-c2nnc(SCc3nc(N)nc(N4CCCCC4)n3)o2)cc1OC ZINC000012371383 523264284 /nfs/dbraw/zinc/26/42/84/523264284.db2.gz NLJMLBUSZUYDIF-UHFFFAOYSA-N 0 0 429.506 2.804 50 0 IFAARN COc1ccc(-c2nnc([C@@H](C)Sc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)o2)cc1 ZINC000021625794 523267556 /nfs/dbraw/zinc/26/75/56/523267556.db2.gz KXXXCDDBVJBVGT-VXGBXAGGSA-N 0 0 436.515 2.959 50 0 IFAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012793892 523276886 /nfs/dbraw/zinc/27/68/86/523276886.db2.gz CMAZCJQYZUCBOP-UHFFFAOYSA-N 0 0 448.516 2.656 50 0 IFAARN CCn1c2ccccc2n(CCC(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c1=O ZINC000012458958 523282419 /nfs/dbraw/zinc/28/24/19/523282419.db2.gz HXLWAJZKULTKDK-MRXNPFEDSA-N 0 0 449.507 2.937 50 0 IFAARN COCCCN1C(=O)C[C@](CC(=O)N(CC2CC2)C[C@@H]2CCCO2)(c2ccccc2)C1=O ZINC000012098581 523287301 /nfs/dbraw/zinc/28/73/01/523287301.db2.gz XAYMMWNXGJIZIK-SQJMNOBHSA-N 0 0 442.556 2.528 50 0 IFAARN COCCCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3C(=O)Nc3ccccc3)cc2C1=O ZINC000023131427 523292323 /nfs/dbraw/zinc/29/23/23/523292323.db2.gz XZZHXTIVFCHMRT-FQEVSTJZSA-N 0 0 435.480 2.562 50 0 IFAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000020581390 523306614 /nfs/dbraw/zinc/30/66/14/523306614.db2.gz CQSZQVMFCPGUHC-UHFFFAOYSA-N 0 0 428.514 2.873 50 0 IFAARN COc1ccc(-n2c3ncccc3c(=O)n(CC(=O)Nc3cc(C)ccc3C)c2=O)cc1 ZINC000021723047 523324035 /nfs/dbraw/zinc/32/40/35/523324035.db2.gz KWDZXXVXLWCYMH-UHFFFAOYSA-N 0 0 430.464 2.812 50 0 IFAARN COC(=O)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000012777103 523336854 /nfs/dbraw/zinc/33/68/54/523336854.db2.gz MIFUVYKBWHLCEO-PXNSSMCTSA-N 0 0 448.516 2.647 50 0 IFAARN CN(Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000035926478 523347381 /nfs/dbraw/zinc/34/73/81/523347381.db2.gz UPWDHFYELJDSSS-UHFFFAOYSA-N 0 0 435.503 2.503 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1OC ZINC000036060061 523352240 /nfs/dbraw/zinc/35/22/40/523352240.db2.gz VUDOGDPFYJUUCU-LEWJYISDSA-N 0 0 444.503 2.851 50 0 IFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cc(OC)ccc1OC ZINC000036045408 523355031 /nfs/dbraw/zinc/35/50/31/523355031.db2.gz QUEVYXDBCUYJRJ-QZTJIDSGSA-N 0 0 432.542 2.774 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@H]1c1cc(OC)ccc1OC ZINC000036045411 523361658 /nfs/dbraw/zinc/36/16/58/523361658.db2.gz QUEVYXDBCUYJRJ-ROUUACIJSA-N 0 0 432.542 2.774 50 0 IFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1OC ZINC000036060062 523361994 /nfs/dbraw/zinc/36/19/94/523361994.db2.gz VUDOGDPFYJUUCU-SFTDATJTSA-N 0 0 444.503 2.851 50 0 IFAARN COc1ccc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000012803050 523388841 /nfs/dbraw/zinc/38/88/41/523388841.db2.gz DLLUJSAZWMCOFB-SYJIQKIWSA-N 0 0 442.537 2.707 50 0 IFAARN CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCCC4)C3)c(C)cc2NC1=O ZINC000035396679 523417063 /nfs/dbraw/zinc/41/70/63/523417063.db2.gz QNQAGBXYRUUOQI-FUHWJXTLSA-N 0 0 449.573 2.518 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)c(F)c1 ZINC000021713738 523486701 /nfs/dbraw/zinc/48/67/01/523486701.db2.gz QWSLINDZKCGLIF-UHFFFAOYSA-N 0 0 435.459 2.514 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccc(C)cc1)c(=O)n2CC(=O)Nc1ccc(F)cc1 ZINC000021713809 523487081 /nfs/dbraw/zinc/48/70/81/523487081.db2.gz ITVZRXWNTAWVDS-UHFFFAOYSA-N 0 0 435.459 2.514 50 0 IFAARN CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1c(C)cc(C)cc1C ZINC000021713760 523487616 /nfs/dbraw/zinc/48/76/16/523487616.db2.gz LSEZTLSRMMDWJA-UHFFFAOYSA-N 0 0 445.523 2.992 50 0 IFAARN CCn1cc2nc(SCC(=O)NC3CCCC3)n(Cc3ccc(OC)cc3)c(=O)c2n1 ZINC000020981703 523489556 /nfs/dbraw/zinc/48/95/56/523489556.db2.gz YLMWUHAJFVKWIZ-UHFFFAOYSA-N 0 0 441.557 2.821 50 0 IFAARN CCn1ccc(CN(CCc2c[nH]c3ccccc23)S(=O)(=O)c2cnn(C)c2C)n1 ZINC000020602511 523494422 /nfs/dbraw/zinc/49/44/22/523494422.db2.gz XRCOJSKPTGFBPA-UHFFFAOYSA-N 0 0 426.546 2.860 50 0 IFAARN COc1ccc(Br)cc1CN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000012772732 523496007 /nfs/dbraw/zinc/49/60/07/523496007.db2.gz XVLZXSUOMDTUGF-UHFFFAOYSA-N 0 0 444.351 2.569 50 0 IFAARN COCCN(C(=O)CN1C(=O)c2ccccc2C1=O)C1(C(=O)Nc2ccccc2)CCCC1 ZINC000009580665 523536608 /nfs/dbraw/zinc/53/66/08/523536608.db2.gz QNFFCJKFMRNOFG-UHFFFAOYSA-N 0 0 449.507 2.709 50 0 IFAARN COCCN(C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1)C(C)C ZINC000012209047 523555692 /nfs/dbraw/zinc/55/56/92/523555692.db2.gz HONRGCPJWMLZJW-UHFFFAOYSA-N 0 0 432.970 2.640 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=O)c1cc(Cl)ccc1OC1CCN(C(C)=O)CC1 ZINC000012715346 523575087 /nfs/dbraw/zinc/57/50/87/523575087.db2.gz VLVBTFIKDSBDAI-QGZVFWFLSA-N 0 0 442.965 2.754 50 0 IFAARN COc1ccc(C(=O)CCC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1OC ZINC000012789766 523578661 /nfs/dbraw/zinc/57/86/61/523578661.db2.gz CWHAOVSPWOFNLX-HXUWFJFHSA-N 0 0 444.503 2.996 50 0 IFAARN COc1ccc(C(=O)CSc2nnc(SCC(N)=O)s2)cc1Br ZINC000021367528 523591295 /nfs/dbraw/zinc/59/12/95/523591295.db2.gz YMJXGIOVSYZKJS-UHFFFAOYSA-N 0 0 434.362 2.862 50 0 IFAARN COc1ccc(C(=O)N(C)CCOc2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000012861171 523602555 /nfs/dbraw/zinc/60/25/55/523602555.db2.gz AAYFZDQVWVVVDG-UHFFFAOYSA-N 0 0 432.542 2.939 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCC(=O)N3CCCC3)C2)c2ccccc12 ZINC000012801223 523633387 /nfs/dbraw/zinc/63/33/87/523633387.db2.gz GJEXPDHWDFRKRE-GOSISDBHSA-N 0 0 437.540 2.829 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccco4)cn3)CC2)c(OC)c1 ZINC000023322291 523649563 /nfs/dbraw/zinc/64/95/63/523649563.db2.gz BUABPDTVJZECLL-UHFFFAOYSA-N 0 0 436.468 2.907 50 0 IFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)COC ZINC000035948360 523653286 /nfs/dbraw/zinc/65/32/86/523653286.db2.gz CZEKHYHNLKSNIK-GOSISDBHSA-N 0 0 433.505 2.686 50 0 IFAARN CCn1nccc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000021654741 523709594 /nfs/dbraw/zinc/70/95/94/523709594.db2.gz WEHAEZBBGYASSH-UHFFFAOYSA-N 0 0 431.543 2.667 50 0 IFAARN COc1ccc(C(=O)NCc2ccccc2Cl)cc1CN1CC(=O)N2CCC[C@H]2C1=O ZINC000021527324 523716107 /nfs/dbraw/zinc/71/61/07/523716107.db2.gz GSYMLBIMAPFLIM-IBGZPJMESA-N 0 0 441.915 2.612 50 0 IFAARN CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCc1ccc(Cl)cc1 ZINC000021919509 523731931 /nfs/dbraw/zinc/73/19/31/523731931.db2.gz GVAGZJQHVLPNJR-QHCPKHFHSA-N 0 0 438.915 2.572 50 0 IFAARN CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCc1cccc(Cl)c1 ZINC000021782284 523732593 /nfs/dbraw/zinc/73/25/93/523732593.db2.gz ZHRFDQXQVAOXJI-QHCPKHFHSA-N 0 0 438.915 2.572 50 0 IFAARN CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCc1ccccc1Cl ZINC000021782239 523732851 /nfs/dbraw/zinc/73/28/51/523732851.db2.gz KRAWIQCJVXCKLB-HSZRJFAPSA-N 0 0 438.915 2.572 50 0 IFAARN CN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2C1=O ZINC000012745494 523733519 /nfs/dbraw/zinc/73/35/19/523733519.db2.gz XSIYCDHKQQJYJC-UHFFFAOYSA-N 0 0 441.509 2.729 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCc1nc(-c2ccccc2)no1 ZINC000012886192 523774835 /nfs/dbraw/zinc/77/48/35/523774835.db2.gz BJABNORDBNPOCB-UHFFFAOYSA-N 0 0 447.495 2.971 50 0 IFAARN CCc1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)on1 ZINC000012575443 523787658 /nfs/dbraw/zinc/78/76/58/523787658.db2.gz KCVIPSIRSRZWCK-QHCPKHFHSA-N 0 0 432.524 2.911 50 0 IFAARN COCCN1C(=O)C[C@@](CC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)(c2ccccc2F)C1=O ZINC000012157577 523798433 /nfs/dbraw/zinc/79/84/33/523798433.db2.gz BYBGLILTQUSZHR-BNYHDKQHSA-N 0 0 442.531 2.896 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1nc2c(N3CCCC3)nc3ccccc3n2c1=O ZINC000035425590 523829523 /nfs/dbraw/zinc/82/95/23/523829523.db2.gz DAVBRAKAZQCUDK-UHFFFAOYSA-N 0 0 432.484 2.600 50 0 IFAARN CN(C(=O)CSC[C@@H](O)[C@H](O)CSCC(=O)N(C)c1ccccc1)c1ccccc1 ZINC000012414113 523838070 /nfs/dbraw/zinc/83/80/70/523838070.db2.gz FVVYERYGDIUBDS-WOJBJXKFSA-N 0 0 448.610 2.501 50 0 IFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(OC)cc4)nc(C)n3n2)cc1 ZINC000015672107 523855466 /nfs/dbraw/zinc/85/54/66/523855466.db2.gz BXZZYPFKRQNDCP-UHFFFAOYSA-N 0 0 431.496 2.754 50 0 IFAARN COCCN1CCS(=O)(=O)c2c(F)c(F)c(C(=O)Nc3ccc(OC)cc3)c(F)c21 ZINC000012322756 523861734 /nfs/dbraw/zinc/86/17/34/523861734.db2.gz XINQFYQEWVXVON-UHFFFAOYSA-N 0 0 444.431 2.605 50 0 IFAARN COc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC ZINC000012654538 523887814 /nfs/dbraw/zinc/88/78/14/523887814.db2.gz YWHAHTLPPKBMRB-UHFFFAOYSA-N 0 0 427.457 2.972 50 0 IFAARN COCCNC(=O)CCN(CCOC)C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000036013676 523890174 /nfs/dbraw/zinc/89/01/74/523890174.db2.gz NYUCEJWUMLJSKX-UHFFFAOYSA-N 0 0 444.315 2.890 50 0 IFAARN COCCNC(=O)C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000015734964 523890243 /nfs/dbraw/zinc/89/02/43/523890243.db2.gz SCUKIICEQHYBDG-UHFFFAOYSA-N 0 0 425.352 2.947 50 0 IFAARN COc1ccc(CC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1OC ZINC000012774327 523893680 /nfs/dbraw/zinc/89/36/80/523893680.db2.gz JIHXMXGKUXBRDA-UHFFFAOYSA-N 0 0 425.529 2.646 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)c(F)c1F ZINC000020732844 523899544 /nfs/dbraw/zinc/89/95/44/523899544.db2.gz VOVOQNHZKKWNCL-SUMWQHHRSA-N 0 0 442.463 2.779 50 0 IFAARN COCCNC(=O)CSC1=Nc2c(cnn2-c2ccc(C)c(Cl)c2)C2=NCCCN12 ZINC000012391852 523899634 /nfs/dbraw/zinc/89/96/34/523899634.db2.gz BDTGYIAVTQGPLV-UHFFFAOYSA-N 0 0 446.964 2.783 50 0 IFAARN COCCNC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000020561639 523899714 /nfs/dbraw/zinc/89/97/14/523899714.db2.gz ZSNKPIYMNYZOKE-GOSISDBHSA-N 0 0 428.485 2.562 50 0 IFAARN COC(=O)[C@H](CCSC)NC(=S)N1CCN(c2cc(C)c3ccccc3n2)CC1 ZINC000012321249 523900791 /nfs/dbraw/zinc/90/07/91/523900791.db2.gz LYPITUPPHKRVNS-SFHVURJKSA-N 0 0 432.615 2.834 50 0 IFAARN COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000036054250 523913633 /nfs/dbraw/zinc/91/36/33/523913633.db2.gz YMDQZMLWYCZGOT-RTBURBONSA-N 0 0 446.931 2.976 50 0 IFAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000035436206 523916161 /nfs/dbraw/zinc/91/61/61/523916161.db2.gz RIAYWXLTCHOOSW-UHFFFAOYSA-N 0 0 431.602 2.569 50 0 IFAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCCCC3)c2)CC1 ZINC000012521537 523916212 /nfs/dbraw/zinc/91/62/12/523916212.db2.gz JAMYNSADAHTUOX-UHFFFAOYSA-N 0 0 442.585 2.865 50 0 IFAARN COCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000021712052 523919546 /nfs/dbraw/zinc/91/95/46/523919546.db2.gz CGGNKXHCHOBTQS-LJQANCHMSA-N 0 0 429.904 2.960 50 0 IFAARN COCCNC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1c1ccc(OC)cc1OC ZINC000036059784 523920321 /nfs/dbraw/zinc/92/03/21/523920321.db2.gz QPTJONVTLUCATJ-PMACEKPBSA-N 0 0 446.931 2.976 50 0 IFAARN CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccccc2)CC1 ZINC000014868720 523927225 /nfs/dbraw/zinc/92/72/25/523927225.db2.gz XDDBBXJZOFYHCU-UHFFFAOYSA-N 0 0 442.585 2.865 50 0 IFAARN COc1ccc(CCN2CC(=O)N3CCc4c5cc(OC)ccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000012662330 523949597 /nfs/dbraw/zinc/94/95/97/523949597.db2.gz PIFBWSVQTGRAHN-VWLOTQADSA-N 0 0 433.508 2.870 50 0 IFAARN COc1ccc(CCNC(=O)CN2c3cc(-c4ccccc4C)nn3CCC2=O)cc1OC ZINC000035374573 523957882 /nfs/dbraw/zinc/95/78/82/523957882.db2.gz VSZCOWZZANQNIL-UHFFFAOYSA-N 0 0 448.523 2.971 50 0 IFAARN COc1ccc(CCNC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1OC ZINC000015552179 523961881 /nfs/dbraw/zinc/96/18/81/523961881.db2.gz BNPWFYOSUZGVEL-UHFFFAOYSA-N 0 0 446.301 2.535 50 0 IFAARN COc1ccc(CCNC(=O)c2cn(C(C)C)cc(C(=O)NC(C)(C)C)c2=O)cc1OC ZINC000012219160 523971487 /nfs/dbraw/zinc/97/14/87/523971487.db2.gz XVGHERSBOZOJFA-UHFFFAOYSA-N 0 0 443.544 2.947 50 0 IFAARN COc1ccc(CN(C)C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(C)C2=O)cc1OC ZINC000011909179 523995432 /nfs/dbraw/zinc/99/54/32/523995432.db2.gz JPSVGWLTHJWSQP-HSZRJFAPSA-N 0 0 428.460 2.518 50 0 IFAARN CN(C)C(=O)c1ccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 ZINC000022761469 524021900 /nfs/dbraw/zinc/02/19/00/524021900.db2.gz RKWWFYXMCCUREL-UHFFFAOYSA-N 0 0 426.494 2.885 50 0 IFAARN COC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccccn2)S(=O)(=O)c2ccccc2)c1C ZINC000036001036 524022238 /nfs/dbraw/zinc/02/22/38/524022238.db2.gz BJVKLKUDMDRPQA-UHFFFAOYSA-N 0 0 441.509 2.887 50 0 IFAARN CN(C)C(=O)c1ccc2oc(CN3CCN(C(=O)NCc4ccc(F)cc4)CC3)nc2c1 ZINC000033127437 524027106 /nfs/dbraw/zinc/02/71/06/524027106.db2.gz KIVNHQLZABKJEN-UHFFFAOYSA-N 0 0 439.491 2.696 50 0 IFAARN CN1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000020453702 524028737 /nfs/dbraw/zinc/02/87/37/524028737.db2.gz SFZXGCMVZUZBRM-HXUWFJFHSA-N 0 0 444.495 2.621 50 0 IFAARN COc1ccc(CN2CCN(C(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)cc1F ZINC000012866486 524031124 /nfs/dbraw/zinc/03/11/24/524031124.db2.gz DSHUQXVVZTZZNO-UHFFFAOYSA-N 0 0 436.487 2.647 50 0 IFAARN COc1ccc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000015363081 524032571 /nfs/dbraw/zinc/03/25/71/524032571.db2.gz DQTULTMABREOJA-UHFFFAOYSA-N 0 0 425.348 2.964 50 0 IFAARN CN1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2C(C)(C)C1=O ZINC000020488081 524032624 /nfs/dbraw/zinc/03/26/24/524032624.db2.gz IAFUZNVRTMCMRC-UHFFFAOYSA-N 0 0 447.601 2.744 50 0 IFAARN CN1c2ccccc2-c2nc(SCC(=O)c3ccc4c(c3)OCO4)ncc2S1(=O)=O ZINC000020582753 524033761 /nfs/dbraw/zinc/03/37/61/524033761.db2.gz GIQMVTGFNSNXLE-UHFFFAOYSA-N 0 0 441.490 2.986 50 0 IFAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCn2c(C)cc3ccccc32)cc1C ZINC000012431447 524034599 /nfs/dbraw/zinc/03/45/99/524034599.db2.gz AQLMCOKYTJLODW-HSZRJFAPSA-N 0 0 448.567 2.774 50 0 IFAARN CCc1ccc([C@H](C)NC(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000012871277 524044069 /nfs/dbraw/zinc/04/40/69/524044069.db2.gz WQKNRXCAHKHWPA-SFHVURJKSA-N 0 0 447.576 2.962 50 0 IFAARN COc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000035531410 524045771 /nfs/dbraw/zinc/04/57/71/524045771.db2.gz FKJABRGXJWZQHO-UHFFFAOYSA-N 0 0 432.542 2.811 50 0 IFAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)Cc3cccnc3)C2)c(OC)c1 ZINC000012319761 524048231 /nfs/dbraw/zinc/04/82/31/524048231.db2.gz ULLIKXGILVOMHZ-GOSISDBHSA-N 0 0 425.529 2.977 50 0 IFAARN COc1ccc(CNC(=O)COCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000032987705 524052633 /nfs/dbraw/zinc/05/26/33/524052633.db2.gz KIMQFWYRFAQXDS-UHFFFAOYSA-N 0 0 430.461 2.771 50 0 IFAARN COc1ccc(CNC(=O)Cn2cnc3c4cc(Br)ccc4[nH]c3c2=O)cc1 ZINC000035423615 524055643 /nfs/dbraw/zinc/05/56/43/524055643.db2.gz BHPXOHICRKCYKH-UHFFFAOYSA-N 0 0 441.285 2.965 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)cc1 ZINC000020563627 524055912 /nfs/dbraw/zinc/05/59/12/524055912.db2.gz XHJFOHKALOHZOD-UHFFFAOYSA-N 0 0 431.496 2.832 50 0 IFAARN CNC(=O)NC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC000012917692 524077760 /nfs/dbraw/zinc/07/77/60/524077760.db2.gz YXUWJADQWBURJA-UHFFFAOYSA-N 0 0 443.463 2.759 50 0 IFAARN CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012821529 524078211 /nfs/dbraw/zinc/07/82/11/524078211.db2.gz BCSGSGFHUYTDFL-NRFANRHFSA-N 0 0 437.496 2.549 50 0 IFAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)CC2)c1 ZINC000020574725 524128446 /nfs/dbraw/zinc/12/84/46/524128446.db2.gz AMYKGXOVFBGWEE-UHFFFAOYSA-N 0 0 430.555 2.626 50 0 IFAARN COc1cccc([C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)c1OC(F)F ZINC000012506911 524131334 /nfs/dbraw/zinc/13/13/34/524131334.db2.gz ZOFZPDZVWMXHTG-QGZVFWFLSA-N 0 0 431.399 2.904 50 0 IFAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000022808281 524153164 /nfs/dbraw/zinc/15/31/64/524153164.db2.gz WJONOXFQDAXGLI-FYYLOGMGSA-N 0 0 441.597 2.788 50 0 IFAARN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000035334674 524154418 /nfs/dbraw/zinc/15/44/18/524154418.db2.gz NMPHAIYCHNJBMA-KXBFYZLASA-N 0 0 443.525 2.815 50 0 IFAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000022808304 524157162 /nfs/dbraw/zinc/15/71/62/524157162.db2.gz WJONOXFQDAXGLI-GMAHTHKFSA-N 0 0 441.597 2.788 50 0 IFAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n(N)c2=O)cc1 ZINC000012347760 524168068 /nfs/dbraw/zinc/16/80/68/524168068.db2.gz UVTYOVRYFXQIEV-UHFFFAOYSA-N 0 0 445.932 2.644 50 0 IFAARN Cc1cccc(C(=O)NCCC(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000012773323 524190566 /nfs/dbraw/zinc/19/05/66/524190566.db2.gz COFAEVPEZVNEAS-UHFFFAOYSA-N 0 0 432.318 2.941 50 0 IFAARN COc1cccc([C@]2(CC(=O)N3CCC[C@H](C(C)=O)C3)CC(=O)N(C3CCCC3)C2=O)c1 ZINC000012036718 524191961 /nfs/dbraw/zinc/19/19/61/524191961.db2.gz QLSIPIGBGHBEMF-BVZFJXPGSA-N 0 0 440.540 2.852 50 0 IFAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(Cn3cncn3)cc2)CC1=O ZINC000020725861 524219048 /nfs/dbraw/zinc/21/90/48/524219048.db2.gz FSGJDXIASQZYRM-HNNXBMFYSA-N 0 0 425.876 2.980 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)N2CCCCC2)C1 ZINC000035398800 524243571 /nfs/dbraw/zinc/24/35/71/524243571.db2.gz CEALSAAQAFVRSR-QGZVFWFLSA-N 0 0 447.601 2.744 50 0 IFAARN C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1C[C@@H](C)O[C@H](C)C1 ZINC000022228089 524247503 /nfs/dbraw/zinc/24/75/03/524247503.db2.gz FMNMAOKCWHINLH-OAGGEKHMSA-N 0 0 443.997 2.951 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012770669 524254061 /nfs/dbraw/zinc/25/40/61/524254061.db2.gz VPYUWGBLKSNABJ-HNNXBMFYSA-N 0 0 439.940 2.954 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000021842056 524257138 /nfs/dbraw/zinc/25/71/38/524257138.db2.gz CYQJPXBOTKEEQL-IBGZPJMESA-N 0 0 429.609 2.536 50 0 IFAARN COc1ccc(Cn2nnnc2SCC(=O)Nc2cc(C)nn2-c2ccccc2)cc1 ZINC000013128261 524267289 /nfs/dbraw/zinc/26/72/89/524267289.db2.gz PCMKEAVGPAYTKB-UHFFFAOYSA-N 0 0 435.513 2.955 50 0 IFAARN COc1ccccc1-n1c2ncccc2c(=O)n(CC(=O)Nc2cccc(C)c2C)c1=O ZINC000012462913 524301366 /nfs/dbraw/zinc/30/13/66/524301366.db2.gz QDIDLSGKPHZIKQ-UHFFFAOYSA-N 0 0 430.464 2.812 50 0 IFAARN Cc1cc(C)c2c(=O)n(CC(=O)NCCCc3ccccc3)c(=O)n(-c3ccccc3)c2n1 ZINC000012446332 524341648 /nfs/dbraw/zinc/34/16/48/524341648.db2.gz DVIFDFHMDBRUAT-UHFFFAOYSA-N 0 0 442.519 2.913 50 0 IFAARN Cc1cc(C)c2c(N)c(C(=O)NN3CC(=O)N(c4cccc(Cl)c4)CC3=O)sc2n1 ZINC000001036553 524342332 /nfs/dbraw/zinc/34/23/32/524342332.db2.gz ITYBSCBWAOOMLH-UHFFFAOYSA-N 0 0 443.916 2.669 50 0 IFAARN COc1ccc(N(Cc2nc3ccccc3[nH]2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000021167148 524370337 /nfs/dbraw/zinc/37/03/37/524370337.db2.gz VTUZHWKMULDNOM-ROUUACIJSA-N 0 0 428.539 2.847 50 0 IFAARN C[C@@H](CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995684 524378093 /nfs/dbraw/zinc/37/80/93/524378093.db2.gz RXYSEPARXRYISR-INIZCTEOSA-N 0 0 426.538 2.854 50 0 IFAARN COc1ccc(N2C(=O)CSC23CCN(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000034927597 524390061 /nfs/dbraw/zinc/39/00/61/524390061.db2.gz NKLJKUJBEOPFJO-UHFFFAOYSA-N 0 0 448.566 2.965 50 0 IFAARN Cc1cc(C)cc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCCC2)c1 ZINC000020928138 524412158 /nfs/dbraw/zinc/41/21/58/524412158.db2.gz KBBOIIDEGJASMZ-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 ZINC000020994273 524431018 /nfs/dbraw/zinc/43/10/18/524431018.db2.gz SRPPTFAHPOQIBY-OAHLLOKOSA-N 0 0 429.498 2.777 50 0 IFAARN Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCCCC2)O3)c1 ZINC000020989713 524435038 /nfs/dbraw/zinc/43/50/38/524435038.db2.gz CRCJIQMYAZNHBK-OAQYLSRUSA-N 0 0 430.526 2.626 50 0 IFAARN COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000012551781 524435283 /nfs/dbraw/zinc/43/52/83/524435283.db2.gz YDRUWIGTLFUMRZ-IAGOWNOFSA-N 0 0 432.542 2.765 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccccc4Cl)CC3)CC2=O)cc1 ZINC000020734826 524445413 /nfs/dbraw/zinc/44/54/13/524445413.db2.gz SSWLPMCMSBGYJM-MRXNPFEDSA-N 0 0 441.915 2.686 50 0 IFAARN COc1ccccc1CN1CCN(C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1 ZINC000020451171 524453701 /nfs/dbraw/zinc/45/37/01/524453701.db2.gz JCYOUISZIOKCRE-UHFFFAOYSA-N 0 0 425.920 2.946 50 0 IFAARN COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1Cl ZINC000023106978 524459753 /nfs/dbraw/zinc/45/97/53/524459753.db2.gz VLDQQOVDDHJHNA-IBGZPJMESA-N 0 0 431.920 2.785 50 0 IFAARN COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)cc1 ZINC000020486085 524460440 /nfs/dbraw/zinc/46/04/40/524460440.db2.gz AXCAFTGKYWQMTC-QHCPKHFHSA-N 0 0 430.508 2.945 50 0 IFAARN C=C1C(NCC(=O)NCc2ccccc2OC)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000021163152 524464492 /nfs/dbraw/zinc/46/44/92/524464492.db2.gz KCXBXDPHVUFTIE-UHFFFAOYSA-N 0 0 427.526 2.691 50 0 IFAARN COc1ccccc1CNC(=O)CSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1 ZINC000012675678 524465660 /nfs/dbraw/zinc/46/56/60/524465660.db2.gz GDJZZQSWJVLCPF-UHFFFAOYSA-N 0 0 435.509 2.834 50 0 IFAARN COc1ccccc1CNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 ZINC000012233049 524467813 /nfs/dbraw/zinc/46/78/13/524467813.db2.gz NBWWQDJXYLBENZ-KRWDZBQOSA-N 0 0 447.520 2.944 50 0 IFAARN COc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000020766515 524480900 /nfs/dbraw/zinc/48/09/00/524480900.db2.gz DGPAOEPZBVKVBW-UHFFFAOYSA-N 0 0 437.949 2.684 50 0 IFAARN COc1ccc(NC(=O)CCc2c(C)nc3[nH]c(NCc4ccccc4)nn3c2=O)cc1 ZINC000021803977 524485204 /nfs/dbraw/zinc/48/52/04/524485204.db2.gz QUOAEWPRACWHGL-UHFFFAOYSA-N 0 0 432.484 2.918 50 0 IFAARN COc1ccccc1CNc1ncnc2sc(C(=O)N3CCC[C@H]3C(N)=O)c(C)c21 ZINC000012125640 524492967 /nfs/dbraw/zinc/49/29/67/524492967.db2.gz KHFNSPKTPLEBMN-AWEZNQCLSA-N 0 0 425.514 2.710 50 0 IFAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1F ZINC000012486730 524495600 /nfs/dbraw/zinc/49/56/00/524495600.db2.gz DDKSMGQCOUXSKO-UHFFFAOYSA-N 0 0 448.516 2.622 50 0 IFAARN COc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1S(=O)(=O)N(C)C ZINC000012688990 524526390 /nfs/dbraw/zinc/52/63/90/524526390.db2.gz PDBUOLXABLPXHG-UHFFFAOYSA-N 0 0 440.905 2.551 50 0 IFAARN COc1ccc(NC(=O)Cn2cc(OCc3ccc(C)cc3)c(=O)cc2CO)cc1OC ZINC000012231198 524531260 /nfs/dbraw/zinc/53/12/60/524531260.db2.gz HKZDRWVDDHMWBR-UHFFFAOYSA-N 0 0 438.480 2.884 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000035436357 524533426 /nfs/dbraw/zinc/53/34/26/524533426.db2.gz ADORENBWWCNFAZ-PMACEKPBSA-N 0 0 429.586 2.519 50 0 IFAARN C[C@@H](CCc1ccccc1)NC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O ZINC000020240213 524535686 /nfs/dbraw/zinc/53/56/86/524535686.db2.gz DEOGWZHGFJPPAA-INIZCTEOSA-N 0 0 441.553 2.540 50 0 IFAARN Cc1cccc(N2CCN(C(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)CC2)c1C ZINC000009669077 524545355 /nfs/dbraw/zinc/54/53/55/524545355.db2.gz HLBWSJSDEIEPJA-UHFFFAOYSA-N 0 0 437.512 2.696 50 0 IFAARN COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1 ZINC000021938788 524547192 /nfs/dbraw/zinc/54/71/92/524547192.db2.gz LIYHKNCTBMXOPP-UHFFFAOYSA-N 0 0 428.514 2.725 50 0 IFAARN Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C[C@H]2C)c1 ZINC000012637676 524549744 /nfs/dbraw/zinc/54/97/44/524549744.db2.gz WLHMDQWVJUHDKN-MOPGFXCFSA-N 0 0 435.524 2.856 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)c(OC)c1 ZINC000035597336 524551047 /nfs/dbraw/zinc/55/10/47/524551047.db2.gz YNOFTTMCIOSNMJ-UHFFFAOYSA-N 0 0 437.504 2.650 50 0 IFAARN COc1ccccc1NC(=O)CCc1c(C)nc2[nH]c(NCc3cccs3)nn2c1=O ZINC000021804361 524588521 /nfs/dbraw/zinc/58/85/21/524588521.db2.gz REYLNULJQXZHOT-UHFFFAOYSA-N 0 0 438.513 2.980 50 0 IFAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1C ZINC000020761810 524590903 /nfs/dbraw/zinc/59/09/03/524590903.db2.gz RKPSPNGXQIZKJH-UHFFFAOYSA-N 0 0 437.905 2.547 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(CC(=O)NCCc3c[nH]c4ccccc34)CC2)c1C ZINC000022791254 524593582 /nfs/dbraw/zinc/59/35/82/524593582.db2.gz UBEQUWOLBSGMLC-UHFFFAOYSA-N 0 0 447.583 2.700 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C ZINC000012888366 524597500 /nfs/dbraw/zinc/59/75/00/524597500.db2.gz UFUTYTNJGFEAHR-UHFFFAOYSA-N 0 0 429.542 2.847 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CS[C@H]3c4ccc(OC)c(OC)c4C(=O)N23)cc1OC ZINC000012870609 524598856 /nfs/dbraw/zinc/59/88/56/524598856.db2.gz XEMCJRUBPOTAAK-ZSEKCTLFSA-N 0 0 430.482 2.930 50 0 IFAARN Cc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000002652941 524600254 /nfs/dbraw/zinc/60/02/54/524600254.db2.gz VGQOAZKXYNEGFJ-UHFFFAOYSA-N 0 0 428.466 2.862 50 0 IFAARN COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C(C)C)cc1 ZINC000021535694 524609327 /nfs/dbraw/zinc/60/93/27/524609327.db2.gz ASEFNTGWDCPVAV-OAQYLSRUSA-N 0 0 445.541 2.912 50 0 IFAARN Cc1cccc(NC(=O)N2CCC(N3CCN(Cc4ccccn4)C(=O)C3=O)CC2)c1C ZINC000015774832 524616393 /nfs/dbraw/zinc/61/63/93/524616393.db2.gz WKBJBRPXWGRMKJ-UHFFFAOYSA-N 0 0 435.528 2.566 50 0 IFAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1Cl ZINC000012029736 524636999 /nfs/dbraw/zinc/63/69/99/524636999.db2.gz QILGFGZLPWIUMW-HNNXBMFYSA-N 0 0 443.930 2.562 50 0 IFAARN COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)NC[C@@H]4CCCO4)C3)s2)cc1 ZINC000033113151 524660021 /nfs/dbraw/zinc/66/00/21/524660021.db2.gz ALBFXMBTMCCEAN-PBHICJAKSA-N 0 0 445.545 2.867 50 0 IFAARN COc1ccccc1OC[C@H]1CN(C(=O)Cc2ccc(OC)c(OC)c2OC)CCO1 ZINC000022643447 524682869 /nfs/dbraw/zinc/68/28/69/524682869.db2.gz XTTZQBJHISRAKN-QGZVFWFLSA-N 0 0 431.485 2.570 50 0 IFAARN Cc1cc(CN2CCN(CC(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2)no1 ZINC000022781746 524694612 /nfs/dbraw/zinc/69/46/12/524694612.db2.gz WJMOXMBFGXMHCQ-UHFFFAOYSA-N 0 0 433.512 2.992 50 0 IFAARN Cc1ccc(Cl)cc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000001015466 524729379 /nfs/dbraw/zinc/72/93/79/524729379.db2.gz AYTHHBUHIGECLO-UHFFFAOYSA-N 0 0 439.940 2.902 50 0 IFAARN Cc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C\N[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000020533172 524731028 /nfs/dbraw/zinc/73/10/28/524731028.db2.gz WXEOBIUYQUXUGG-CLXYIWAZSA-N 0 0 430.913 2.953 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000012537725 524741266 /nfs/dbraw/zinc/74/12/66/524741266.db2.gz GEFKMJWBYOALQW-HXUWFJFHSA-N 0 0 429.904 2.713 50 0 IFAARN C[C@@H](CNS(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1)c1ccccc1 ZINC000020933259 524744902 /nfs/dbraw/zinc/74/49/02/524744902.db2.gz BVEODHBMAUKXKH-INIZCTEOSA-N 0 0 435.505 2.960 50 0 IFAARN COc1ccccc1[C@@H]1c2c(=O)n(C)c(=O)n(C)c2NC(C)=C1C(=O)OCc1ccccc1 ZINC000035550000 524763716 /nfs/dbraw/zinc/76/37/16/524763716.db2.gz MGZHXBNKVBNLIF-FQEVSTJZSA-N 0 0 447.491 2.667 50 0 IFAARN Cc1cccc(OCc2nnc(SCc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)n2C)c1 ZINC000033007490 524769886 /nfs/dbraw/zinc/76/98/86/524769886.db2.gz QGSHKMLTJHOSGS-UHFFFAOYSA-N 0 0 435.509 2.935 50 0 IFAARN Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)Cc4ccsc4)CC2)[nH]c3=O)cc1 ZINC000020890084 524777235 /nfs/dbraw/zinc/77/72/35/524777235.db2.gz ORTPFGXXLJIETE-UHFFFAOYSA-N 0 0 448.552 2.882 50 0 IFAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)[C@H](C)NC(C)=O)C3)c1 ZINC000012218774 524793134 /nfs/dbraw/zinc/79/31/34/524793134.db2.gz SLTYYOOKVYXRNA-SJCJKPOMSA-N 0 0 432.904 2.969 50 0 IFAARN COc1ccc(OC)c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1 ZINC000012906666 524804199 /nfs/dbraw/zinc/80/41/99/524804199.db2.gz VSPQSHZSFMDEJE-UHFFFAOYSA-N 0 0 442.896 2.643 50 0 IFAARN COc1ccc(OC)c(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 ZINC000012561447 524848246 /nfs/dbraw/zinc/84/82/46/524848246.db2.gz JWYZAJPPIAIKAF-JOCHJYFZSA-N 0 0 439.512 2.922 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1 ZINC000012228278 524856705 /nfs/dbraw/zinc/85/67/05/524856705.db2.gz VJQRTOPTCVHCPM-UHFFFAOYSA-N 0 0 437.431 2.686 50 0 IFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)C1 ZINC000020935890 524887386 /nfs/dbraw/zinc/88/73/86/524887386.db2.gz LUAMKNPTIHYURN-KBPBESRZSA-N 0 0 431.489 2.684 50 0 IFAARN Cc1ccc(N([C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1C ZINC000001058929 524901203 /nfs/dbraw/zinc/90/12/03/524901203.db2.gz QHHCZPDPDPESBR-GOSISDBHSA-N 0 0 433.549 2.946 50 0 IFAARN Cc1ccc(N([C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1C ZINC000020529914 524901367 /nfs/dbraw/zinc/90/13/67/524901367.db2.gz NZWSALOLLHZZCH-FQEVSTJZSA-N 0 0 429.586 2.802 50 0 IFAARN C[C@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1Br ZINC000015686655 524933323 /nfs/dbraw/zinc/93/33/23/524933323.db2.gz PYEANKCHPQFRQE-LBPRGKRZSA-N 0 0 436.331 2.755 50 0 IFAARN COc1ccc(OCCCC(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 ZINC000012913891 524941361 /nfs/dbraw/zinc/94/13/61/524941361.db2.gz WXDPQZWQJHODQP-QFIPXVFZSA-N 0 0 440.496 2.507 50 0 IFAARN C[C@H]1Cc2cc(C(=O)N[C@H](c3nccn3C)c3ccccc3F)ccc2N1S(C)(=O)=O ZINC000012519857 524980216 /nfs/dbraw/zinc/98/02/16/524980216.db2.gz GRUVPEPMQBUPJK-XOBRGWDASA-N 0 0 442.516 2.789 50 0 IFAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3)ccc2N1C(=O)C1CC1 ZINC000020529873 524981375 /nfs/dbraw/zinc/98/13/75/524981375.db2.gz HJCIXBGWALWVEU-AWEZNQCLSA-N 0 0 445.516 2.820 50 0 IFAARN Cc1cc(F)ccc1NC(=O)Cn1nc(N2CCN(c3ccc(F)cc3)CC2)ccc1=O ZINC000035375710 524987666 /nfs/dbraw/zinc/98/76/66/524987666.db2.gz TZINPSSUPYAZGN-UHFFFAOYSA-N 0 0 439.466 2.795 50 0 IFAARN Cc1cc(F)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020487133 524988301 /nfs/dbraw/zinc/98/83/01/524988301.db2.gz ROFLZPCRPOFAEA-UHFFFAOYSA-N 0 0 433.505 2.647 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1nc(-c2cccs2)no1 ZINC000021589045 524999817 /nfs/dbraw/zinc/99/98/17/524999817.db2.gz YYAYHAQBQQMEQQ-UHFFFAOYSA-N 0 0 436.515 2.628 50 0 IFAARN Cc1ccccc1-c1nc2scc(CCNC(=O)CN3C(=O)c4ccccc4C3=O)n2n1 ZINC000017136119 525012509 /nfs/dbraw/zinc/01/25/09/525012509.db2.gz XCDWNSJDTPVSHB-UHFFFAOYSA-N 0 0 445.504 2.721 50 0 IFAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000035325145 525012589 /nfs/dbraw/zinc/01/25/89/525012589.db2.gz PFCATJSVSDRWJD-UHFFFAOYSA-N 0 0 443.551 2.884 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1 ZINC000014846057 525034528 /nfs/dbraw/zinc/03/45/28/525034528.db2.gz FXZLHKGHNXBUJR-UHFFFAOYSA-N 0 0 425.510 2.633 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(NCc4ccccc4)nn3)CC2)cc1 ZINC000020555049 525039766 /nfs/dbraw/zinc/03/97/66/525039766.db2.gz YLWVVVVSDUXANF-UHFFFAOYSA-N 0 0 439.541 2.608 50 0 IFAARN Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2cc(Br)ccc2O)cc1 ZINC000022357285 525042349 /nfs/dbraw/zinc/04/23/49/525042349.db2.gz MMSDMUZQMGSESI-UHFFFAOYSA-N 0 0 435.274 2.717 50 0 IFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c(C)c1 ZINC000020487024 525045632 /nfs/dbraw/zinc/04/56/32/525045632.db2.gz CTXXQGLHCUNIJA-UHFFFAOYSA-N 0 0 429.542 2.817 50 0 IFAARN COc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1OC ZINC000009661057 525059889 /nfs/dbraw/zinc/05/98/89/525059889.db2.gz RYPIJNDZWPJRGM-UHFFFAOYSA-N 0 0 449.916 2.559 50 0 IFAARN C[C@H]1Oc2ccccc2N(CC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000022283867 525063754 /nfs/dbraw/zinc/06/37/54/525063754.db2.gz KYDGJBXCIQKVRZ-OAHLLOKOSA-N 0 0 448.445 2.953 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1F ZINC000022000836 525063969 /nfs/dbraw/zinc/06/39/69/525063969.db2.gz WSRBSKXUMKSWGG-XMHCIUCPSA-N 0 0 433.480 2.753 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3ccccc3N(C)C)C2)cc1 ZINC000012306866 525064278 /nfs/dbraw/zinc/06/42/78/525064278.db2.gz WMXKGQATPAJUHJ-QGZVFWFLSA-N 0 0 431.558 2.592 50 0 IFAARN C[C@H]1Oc2ccccc2N(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000022385921 525066446 /nfs/dbraw/zinc/06/64/46/525066446.db2.gz BUHINJUYCFAUKV-OAHLLOKOSA-N 0 0 448.445 2.953 50 0 IFAARN Cc1ccc(NC(=O)COc2ccccc2C(N)=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000012643023 525071534 /nfs/dbraw/zinc/07/15/34/525071534.db2.gz XRYOVIKJFFTGGF-UHFFFAOYSA-N 0 0 445.541 2.676 50 0 IFAARN COc1ccc(S(=O)(=O)c2cnc3cc(OC)c(OC)cc3c2N2CCOCC2)cc1 ZINC000021522564 525094782 /nfs/dbraw/zinc/09/47/82/525094782.db2.gz APVRDMCTWCXAOF-UHFFFAOYSA-N 0 0 444.509 2.930 50 0 IFAARN COc1ccc(S(=O)(=O)n2nc(-c3cnn(C)c3)c(Cl)c2-c2cnn(C)c2)cc1 ZINC000020617886 525095798 /nfs/dbraw/zinc/09/57/98/525095798.db2.gz YMDGORPAEWTWFZ-UHFFFAOYSA-N 0 0 432.893 2.583 50 0 IFAARN CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000000810434 525152824 /nfs/dbraw/zinc/15/28/24/525152824.db2.gz VRBRCGMBRIAZOT-UHFFFAOYSA-N 0 0 431.297 2.805 50 0 IFAARN Cc1cc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)ccc1Br ZINC000015766752 525166652 /nfs/dbraw/zinc/16/66/52/525166652.db2.gz APCQTBOQLRLOSV-UHFFFAOYSA-N 0 0 441.351 2.767 50 0 IFAARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2c3c(nn2-c2nc4ccccc4s2)CCC3)C1 ZINC000035596712 525168411 /nfs/dbraw/zinc/16/84/11/525168411.db2.gz DVMMBORPLLYJMX-ZDUSSCGKSA-N 0 0 445.570 2.581 50 0 IFAARN COc1ccc([C@@H](CC(=O)NCc2nnc3ccc(C(F)(F)F)cn32)NC(C)=O)cc1 ZINC000021446271 525171567 /nfs/dbraw/zinc/17/15/67/525171567.db2.gz BBRRNMUZNFDYES-MRXNPFEDSA-N 0 0 435.406 2.640 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)CCC(=O)c3cccs3)ccc21 ZINC000020822020 525173230 /nfs/dbraw/zinc/17/32/30/525173230.db2.gz XECWPPVGKBWGMZ-UHFFFAOYSA-N 0 0 435.523 2.849 50 0 IFAARN COc1ccc([C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)c2c[nH]c3ccccc32)cc1 ZINC000035392793 525182962 /nfs/dbraw/zinc/18/29/62/525182962.db2.gz GXTJKXCSYCQTHH-JOCHJYFZSA-N 0 0 434.540 2.589 50 0 IFAARN C[C@@H]1C[C@@H](C(=O)NCc2nc3ccccc3c(NCCCc3ccccc3)n2)NC(=S)N1 ZINC000012279475 525190065 /nfs/dbraw/zinc/19/00/65/525190065.db2.gz OEKIVUIVODZYDN-UZLBHIALSA-N 0 0 448.596 2.916 50 0 IFAARN CS(=O)(=O)NCCc1ccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)s1 ZINC000012898203 525197784 /nfs/dbraw/zinc/19/77/84/525197784.db2.gz VJXVIKYBPDGTEQ-UHFFFAOYSA-N 0 0 431.919 2.717 50 0 IFAARN COc1ccc([C@@H](NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c2nccn2C)cc1 ZINC000012520548 525197968 /nfs/dbraw/zinc/19/79/68/525197968.db2.gz SUCNSQZWGMKELD-NZQKXSOJSA-N 0 0 432.524 2.991 50 0 IFAARN COc1ccc([C@@H](NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c2nccn2C)cc1 ZINC000012520798 525199942 /nfs/dbraw/zinc/19/99/42/525199942.db2.gz SAWXNWKXNLFZPQ-OAQYLSRUSA-N 0 0 429.480 2.604 50 0 IFAARN CS(=O)(=O)c1ccc(F)c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)c1 ZINC000024593471 525251388 /nfs/dbraw/zinc/25/13/88/525251388.db2.gz YRKOPCXUGGWJRX-UHFFFAOYSA-N 0 0 429.473 2.918 50 0 IFAARN CS(=O)(=O)c1ccc(N2C[C@H](c3nnc(NC(=O)C4CCCCC4)o3)CC2=O)cc1 ZINC000033291492 525253904 /nfs/dbraw/zinc/25/39/04/525253904.db2.gz PTIKISPIRQYUKU-CQSZACIVSA-N 0 0 432.502 2.512 50 0 IFAARN C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000012802453 525320316 /nfs/dbraw/zinc/32/03/16/525320316.db2.gz PFMFUTWPFBAVKU-OAQYLSRUSA-N 0 0 449.858 2.938 50 0 IFAARN C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2csc(-c3ccsc3)n2)C1=O ZINC000012745981 525320695 /nfs/dbraw/zinc/32/06/95/525320695.db2.gz VCWQFCLDXNGUBA-LJQANCHMSA-N 0 0 437.510 2.815 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(COC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1 ZINC000021604673 525326665 /nfs/dbraw/zinc/32/66/65/525326665.db2.gz ZRAHKQNMDIBLQJ-MRXNPFEDSA-N 0 0 432.484 2.911 50 0 IFAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(I)c2)C1=O ZINC000016046083 525332155 /nfs/dbraw/zinc/33/21/55/525332155.db2.gz NZFGKNPAGCSEEM-GOSISDBHSA-N 0 0 449.248 2.697 50 0 IFAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC(F)F)cc1 ZINC000024758096 525345728 /nfs/dbraw/zinc/34/57/28/525345728.db2.gz PQGIJOCEBHXMOL-CQSZACIVSA-N 0 0 440.468 2.800 50 0 IFAARN COc1ccc([C@H](CNC(=O)CN2CCN(C(C)=O)CC2)c2c[nH]c3ccccc32)cc1 ZINC000035392791 525354793 /nfs/dbraw/zinc/35/47/93/525354793.db2.gz GXTJKXCSYCQTHH-QFIPXVFZSA-N 0 0 434.540 2.589 50 0 IFAARN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1Cl ZINC000035570573 525365049 /nfs/dbraw/zinc/36/50/49/525365049.db2.gz DWFYTOSMDMEKAT-UHFFFAOYSA-N 0 0 437.949 2.602 50 0 IFAARN C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000012747863 525381684 /nfs/dbraw/zinc/38/16/84/525381684.db2.gz QERNFLLOSBNIMO-CYBMUJFWSA-N 0 0 428.489 2.639 50 0 IFAARN Cc1ccccc1[C@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000012556648 525408758 /nfs/dbraw/zinc/40/87/58/525408758.db2.gz BMEUEUXXBPILGB-INIZCTEOSA-N 0 0 428.558 2.942 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2)c1C(=O)N1CCCCC1 ZINC000032996448 525413589 /nfs/dbraw/zinc/41/35/89/525413589.db2.gz WUAFOQNWQHCQOJ-UHFFFAOYSA-N 0 0 446.573 2.873 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(-c2ccc(C)c(C)c2)c1=O ZINC000020610819 525486651 /nfs/dbraw/zinc/48/66/51/525486651.db2.gz ZJURLIWOMLWONQ-NRFANRHFSA-N 0 0 432.480 2.573 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCCC[C@@H]3C)CC2)cc1C ZINC000012825688 525520435 /nfs/dbraw/zinc/52/04/35/525520435.db2.gz DZORHUYXYGORGS-SFHVURJKSA-N 0 0 436.574 2.648 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)NC3CCCCCC3)ccc2N1C(=O)C1CC1 ZINC000020529677 525522378 /nfs/dbraw/zinc/52/23/78/525522378.db2.gz KCTYDDFELHECDT-MRXNPFEDSA-N 0 0 447.601 2.882 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000012902207 525528603 /nfs/dbraw/zinc/52/86/03/525528603.db2.gz ZYYUSXBJXUSCHA-GOSISDBHSA-N 0 0 433.549 2.535 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)n1CCC(N)=O ZINC000012750716 525531231 /nfs/dbraw/zinc/53/12/31/525531231.db2.gz CDBRERGJBRMPDF-CYBMUJFWSA-N 0 0 427.555 2.952 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3N3CCOCC3)C2)s1 ZINC000012522440 525535896 /nfs/dbraw/zinc/53/58/96/525535896.db2.gz VNIZFFLWAVGDFU-KRWDZBQOSA-N 0 0 449.598 2.933 50 0 IFAARN C[C@@H]1Cn2c3c(nc2N(C2CCCCC2)C1)n(C)c(=O)n(CC(=O)c1ccccc1)c3=O ZINC000012289053 525540833 /nfs/dbraw/zinc/54/08/33/525540833.db2.gz SXTMUBYTCCVSBW-INIZCTEOSA-N 0 0 435.528 2.568 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(CCCn3c4ccccc4oc3=O)CC2)cc1C ZINC000058182604 525543399 /nfs/dbraw/zinc/54/33/99/525543399.db2.gz DNCKMHQXTXODAY-UHFFFAOYSA-N 0 0 429.542 2.608 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000012870966 525546265 /nfs/dbraw/zinc/54/62/65/525546265.db2.gz SPRJONXHRBYGNK-IBGZPJMESA-N 0 0 446.569 2.914 50 0 IFAARN CSCC[C@@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1nc2ccccc2[nH]1 ZINC000023805372 525549031 /nfs/dbraw/zinc/54/90/31/525549031.db2.gz YWDVLNFYMKFYLZ-XKZIZAOGSA-N 0 0 443.573 2.974 50 0 IFAARN Cc1c(C(=O)N2CCN(CCO)CC2)sc2ncnc(N[C@H](C)c3cccs3)c12 ZINC000020992100 525581871 /nfs/dbraw/zinc/58/18/71/525581871.db2.gz NDKVJMXIPOUIPC-CQSZACIVSA-N 0 0 431.587 2.984 50 0 IFAARN Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)N[C@@H]3CCCC[C@H]3C)cc1CC2 ZINC000020510576 525587950 /nfs/dbraw/zinc/58/79/50/525587950.db2.gz MYQASAHYBCFGLD-CRAIPNDOSA-N 0 0 440.544 2.717 50 0 IFAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000032986065 525593869 /nfs/dbraw/zinc/59/38/69/525593869.db2.gz TXBXCDHDPXFSTR-KRWDZBQOSA-N 0 0 425.982 2.518 50 0 IFAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCCC4)C3)cc2NC1=O ZINC000035240751 525611253 /nfs/dbraw/zinc/61/12/53/525611253.db2.gz YDQINIFUDCGCBU-HOTGVXAUSA-N 0 0 449.573 2.646 50 0 IFAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCN3C[C@@H](C)O[C@@H](C)C3)c2)cc1F ZINC000022612537 525611423 /nfs/dbraw/zinc/61/14/23/525611423.db2.gz SQXSMLQCZIKLNK-CALCHBBNSA-N 0 0 449.548 2.774 50 0 IFAARN Cc1c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)sc2ncnc(NCCc3ccccc3)c12 ZINC000012199710 525621199 /nfs/dbraw/zinc/62/11/99/525621199.db2.gz XROQGQNJEMXZCU-INIZCTEOSA-N 0 0 444.582 2.819 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccco2)cc1 ZINC000017043183 525628079 /nfs/dbraw/zinc/62/80/79/525628079.db2.gz NNSHLTSHGAWYKZ-FQEVSTJZSA-N 0 0 444.484 2.675 50 0 IFAARN Cc1c(C(=O)NCc2ccccc2)c(C)n2cnn(CC(=O)Nc3ccccc3C)c(=O)c12 ZINC000033292994 525629253 /nfs/dbraw/zinc/62/92/53/525629253.db2.gz YIMDLAYFWZSIEP-UHFFFAOYSA-N 0 0 443.507 2.990 50 0 IFAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000021209701 525640965 /nfs/dbraw/zinc/64/09/65/525640965.db2.gz BZEWUIGILLOPIQ-UHFFFAOYSA-N 0 0 428.470 2.809 50 0 IFAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@@H]1CCCO1)N(Cc1cccnc1)C3=O ZINC000021859777 525644168 /nfs/dbraw/zinc/64/41/68/525644168.db2.gz SKMPWRQMZLJOPA-CPJSRVTESA-N 0 0 448.523 2.755 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(c3nc4cc(C)nn4c4ccccc43)CC2)cc1 ZINC000009634803 534872973 /nfs/dbraw/zinc/87/29/73/534872973.db2.gz AOTGCMVBAPZUFP-UHFFFAOYSA-N 0 0 449.536 2.904 50 0 IFAARN Cc1c(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)sc2nc3n(c(=O)c12)CCC3 ZINC000012820233 525669051 /nfs/dbraw/zinc/66/90/51/525669051.db2.gz YLKCMMZQPGOVIE-AWEZNQCLSA-N 0 0 437.521 2.843 50 0 IFAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c(C)c1C ZINC000035292636 525675056 /nfs/dbraw/zinc/67/50/56/525675056.db2.gz ACOAQXJDGSSSAF-OAQYLSRUSA-N 0 0 429.586 2.762 50 0 IFAARN COc1cccc(-c2cc(C(=O)N(CCC(=O)NCCC3OCCO3)CC(C)C)no2)c1 ZINC000034922667 525700132 /nfs/dbraw/zinc/70/01/32/525700132.db2.gz UUZRYGCBGIZZGA-UHFFFAOYSA-N 0 0 445.516 2.718 50 0 IFAARN COc1cccc(-c2nnn(-c3nc(CN4CCOCC4)nc4sc(C)c(C)c43)n2)c1 ZINC000023989337 525734209 /nfs/dbraw/zinc/73/42/09/525734209.db2.gz LANNBDSSCZIVLB-UHFFFAOYSA-N 0 0 437.529 2.792 50 0 IFAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 ZINC000021533833 525750920 /nfs/dbraw/zinc/75/09/20/525750920.db2.gz AGVMBOJJCSNWQL-UHFFFAOYSA-N 0 0 443.916 2.763 50 0 IFAARN Cc1ccc(-c2csc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)c(C)c1 ZINC000012775701 525781690 /nfs/dbraw/zinc/78/16/90/525781690.db2.gz OWPXJIVWOWLPEG-CQSZACIVSA-N 0 0 446.554 2.531 50 0 IFAARN COc1cccc(C(=O)Cn2cnc3c2c(=O)n(C2CC2)c(=O)n3-c2ccccc2C)c1 ZINC000034693366 525788263 /nfs/dbraw/zinc/78/82/63/525788263.db2.gz ICNGGFCPAFBQTC-UHFFFAOYSA-N 0 0 430.464 2.884 50 0 IFAARN Cc1ccc(-c2nc3n(n2)c(=O)c2c(n3CC(=O)NCc3ccc(F)cc3)CCC2)cc1 ZINC000033324802 525828412 /nfs/dbraw/zinc/82/84/12/525828412.db2.gz ROOGORJWXSIOGI-UHFFFAOYSA-N 0 0 431.471 2.811 50 0 IFAARN COc1cccc(C(=O)Nc2c3c(nn2CC(=O)NCc2ccco2)CSC3)c1OC ZINC000023139287 525831552 /nfs/dbraw/zinc/83/15/52/525831552.db2.gz BBEAJDSINBOAAI-UHFFFAOYSA-N 0 0 442.497 2.809 50 0 IFAARN COc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3c4ccccc4C[C@H]3C)s2)c1 ZINC000020486301 525839189 /nfs/dbraw/zinc/83/91/89/525839189.db2.gz UADKAGNGPORILJ-GFCCVEGCSA-N 0 0 430.511 2.939 50 0 IFAARN Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)c3)n2)cc1 ZINC000033293131 525869056 /nfs/dbraw/zinc/86/90/56/525869056.db2.gz GZRHJGRIDXLIIA-UHFFFAOYSA-N 0 0 444.447 2.919 50 0 IFAARN Cc1ccc([C@H](C)NC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1C ZINC000022916801 525890534 /nfs/dbraw/zinc/89/05/34/525890534.db2.gz ZXZXWRFHNPOLIX-IPJJNNNSSA-N 0 0 428.621 2.603 50 0 IFAARN C[C@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)C(=O)N1CCC(C)CC1 ZINC000012513002 525893323 /nfs/dbraw/zinc/89/33/23/525893323.db2.gz OEDUFXVBDXHRJA-INIZCTEOSA-N 0 0 447.557 2.972 50 0 IFAARN C[C@@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1)C(=O)NC(=O)NC(C)(C)C ZINC000012862719 525894062 /nfs/dbraw/zinc/89/40/62/525894062.db2.gz WOJQRVGZYQNIOG-CQSZACIVSA-N 0 0 442.516 2.683 50 0 IFAARN C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2csc(-c3ccsc3)n2)C1=O ZINC000012745974 525894490 /nfs/dbraw/zinc/89/44/90/525894490.db2.gz VCWQFCLDXNGUBA-IBGZPJMESA-N 0 0 437.510 2.815 50 0 IFAARN C[C@@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)C(=O)N1CCC(C)CC1 ZINC000012512997 525894698 /nfs/dbraw/zinc/89/46/98/525894698.db2.gz OEDUFXVBDXHRJA-MRXNPFEDSA-N 0 0 447.557 2.972 50 0 IFAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N3CCCC3)c1)CS2 ZINC000024761159 525910647 /nfs/dbraw/zinc/91/06/47/525910647.db2.gz CHDDOQBFQAKASW-RDTXWAMCSA-N 0 0 443.978 2.517 50 0 IFAARN COc1cccc(CN2C[C@@H](C(=O)NCc3ccccc3Cn3cccn3)CCC2=O)c1 ZINC000012702236 525953596 /nfs/dbraw/zinc/95/35/96/525953596.db2.gz MAUQSFQNXPCTDT-QFIPXVFZSA-N 0 0 432.524 2.995 50 0 IFAARN C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000022915506 525961621 /nfs/dbraw/zinc/96/16/21/525961621.db2.gz BULUQSAMOXKEFY-CQSZACIVSA-N 0 0 446.901 2.926 50 0 IFAARN COc1cccc(CNC(=O)CCc2nnc3c(=O)n(-c4cc(C)cc(C)c4)ccn23)c1 ZINC000015736375 525967658 /nfs/dbraw/zinc/96/76/58/525967658.db2.gz GXTFBOQBGMHTIL-UHFFFAOYSA-N 0 0 431.496 2.755 50 0 IFAARN COc1cccc(CNC(=O)CCn2cnc3c4cc(OC)c(OC)cc4[nH]c3c2=O)c1 ZINC000035424103 525968581 /nfs/dbraw/zinc/96/85/81/525968581.db2.gz VILZPGLWJIGYCP-UHFFFAOYSA-N 0 0 436.468 2.610 50 0 IFAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N1CCCc2ccccc21 ZINC000022886801 525988438 /nfs/dbraw/zinc/98/84/38/525988438.db2.gz MZFBVRGHTONAFX-MRXNPFEDSA-N 0 0 447.582 2.563 50 0 IFAARN CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(N4CCOCC4)nn3)C2)cc1 ZINC000033020721 525998759 /nfs/dbraw/zinc/99/87/59/525998759.db2.gz CRMVWMDQXATIPG-GOSISDBHSA-N 0 0 427.574 2.568 50 0 IFAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NN1CCN(C)CC1 ZINC000012844850 526000802 /nfs/dbraw/zinc/00/08/02/526000802.db2.gz OODAYXXSUSUCJW-CYBMUJFWSA-N 0 0 425.480 2.922 50 0 IFAARN Cc1c[nH]c(CN2CCc3c(c(C(=O)N4CCOCC4)nn3CCCc3ccccc3)C2)n1 ZINC000020994232 526001301 /nfs/dbraw/zinc/00/13/01/526001301.db2.gz JUGRFSRURAAINJ-UHFFFAOYSA-N 0 0 448.571 2.578 50 0 IFAARN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000012791572 526005435 /nfs/dbraw/zinc/00/54/35/526005435.db2.gz MCQPKOPPHLQIDX-QLFBSQMISA-N 0 0 434.027 2.601 50 0 IFAARN C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)c1nnc(-c2cccs2)o1 ZINC000021628209 526012559 /nfs/dbraw/zinc/01/25/59/526012559.db2.gz MKVILGSJUDMPQC-GHMZBOCLSA-N 0 0 425.561 2.757 50 0 IFAARN C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1nnc(-c2cccs2)o1 ZINC000021628200 526012855 /nfs/dbraw/zinc/01/28/55/526012855.db2.gz MKVILGSJUDMPQC-MNOVXSKESA-N 0 0 425.561 2.757 50 0 IFAARN C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)c1nnc(-c2cccs2)o1 ZINC000021628215 526013116 /nfs/dbraw/zinc/01/31/16/526013116.db2.gz MKVILGSJUDMPQC-WDEREUQCSA-N 0 0 425.561 2.757 50 0 IFAARN C[C@@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)NCc1ccco1 ZINC000012865676 526013443 /nfs/dbraw/zinc/01/34/43/526013443.db2.gz GCJLROKAPVQUCH-MRXNPFEDSA-N 0 0 427.530 2.553 50 0 IFAARN C[C@@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)Nc1sccc1C(N)=O ZINC000012774209 526014334 /nfs/dbraw/zinc/01/43/34/526014334.db2.gz RXHQPZPXTWONPI-YGRLFVJLSA-N 0 0 445.526 2.607 50 0 IFAARN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000023817176 526022028 /nfs/dbraw/zinc/02/20/28/526022028.db2.gz YSDKUDLSFYIRNI-DNBYOKIBSA-N 0 0 449.592 2.606 50 0 IFAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000012929672 526041062 /nfs/dbraw/zinc/04/10/62/526041062.db2.gz HANMYYBIDCUGKY-OAHLLOKOSA-N 0 0 447.948 2.906 50 0 IFAARN Cc1ccc2c(C)nc(Nc3nc(-c4cnc(N5CCOCC5)nc4C)cc(=O)[nH]3)nc2c1 ZINC000035655387 526120869 /nfs/dbraw/zinc/12/08/69/526120869.db2.gz KOXPWPSSTRMZDG-UHFFFAOYSA-N 0 0 444.499 2.676 50 0 IFAARN C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CCC(C(N)=O)CC1 ZINC000012768253 526131643 /nfs/dbraw/zinc/13/16/43/526131643.db2.gz DWGBKCZKRBKQTC-SECBINFHSA-N 0 0 433.144 2.736 50 0 IFAARN C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012855121 526140370 /nfs/dbraw/zinc/14/03/70/526140370.db2.gz BPGXXZDAIQEJRP-OAHLLOKOSA-N 0 0 439.940 2.954 50 0 IFAARN Cc1ccc2c(c1)CCCN2CC(=O)NCCNC(=O)CN1CCCc2cc(C)ccc21 ZINC000013056286 526145825 /nfs/dbraw/zinc/14/58/25/526145825.db2.gz DIGXREMITUQXHR-UHFFFAOYSA-N 0 0 434.584 2.741 50 0 IFAARN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022785690 526148004 /nfs/dbraw/zinc/14/80/04/526148004.db2.gz VQVVUEWXPWKSEQ-CQSZACIVSA-N 0 0 436.541 2.611 50 0 IFAARN COc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCCC4)c4ccccc43)CC2)c1 ZINC000021157119 526148567 /nfs/dbraw/zinc/14/85/67/526148567.db2.gz JBOAUZHXSCUKOD-UHFFFAOYSA-N 0 0 447.539 2.630 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCC4)cs3)CC2)c1 ZINC000035405166 526154275 /nfs/dbraw/zinc/15/42/75/526154275.db2.gz SFZQZVKJLODNKD-UHFFFAOYSA-N 0 0 449.598 2.894 50 0 IFAARN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000022934886 526155515 /nfs/dbraw/zinc/15/55/15/526155515.db2.gz DGLOQIHTIHSSIJ-OAHLLOKOSA-N 0 0 427.376 2.951 50 0 IFAARN C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)n1c(=O)oc2ccccc21 ZINC000021970025 526161491 /nfs/dbraw/zinc/16/14/91/526161491.db2.gz KOEYSDUUGSCKKP-CQSZACIVSA-N 0 0 441.465 2.866 50 0 IFAARN COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3c[nH]c5ccccc35)[C@@H]4C2=O)c1 ZINC000035485615 526163493 /nfs/dbraw/zinc/16/34/93/526163493.db2.gz MNUZQXZGLGFDJP-ZGXDEKTJSA-N 0 0 443.503 2.822 50 0 IFAARN C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022798044 526174459 /nfs/dbraw/zinc/17/44/59/526174459.db2.gz NJNGIHHWTMRNDD-CYBMUJFWSA-N 0 0 429.571 2.602 50 0 IFAARN CSc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012886066 526174977 /nfs/dbraw/zinc/17/49/77/526174977.db2.gz BNLGVSYUTGJJQS-KRWDZBQOSA-N 0 0 433.599 2.883 50 0 IFAARN COc1cccc(NC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@H]3C2=O)c1 ZINC000035445504 526176689 /nfs/dbraw/zinc/17/66/89/526176689.db2.gz QBYRKCLJTILTOI-FQEVSTJZSA-N 0 0 436.512 2.741 50 0 IFAARN COc1cccc(NC(=O)COc2ccc(C(=O)NCCN3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000022612202 526177818 /nfs/dbraw/zinc/17/78/18/526177818.db2.gz FNRYUPAFDIEIAB-ROUUACIJSA-N 0 0 441.528 2.552 50 0 IFAARN COc1cccc(NC(=O)COc2ccc(C(=O)NCCN3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000022612203 526178356 /nfs/dbraw/zinc/17/83/56/526178356.db2.gz FNRYUPAFDIEIAB-QZTJIDSGSA-N 0 0 441.528 2.552 50 0 IFAARN COc1cccc(NC(=O)N2CCC(N3CCN(Cc4ccccc4)C(=O)C3=O)CC2)c1 ZINC000035451526 526186536 /nfs/dbraw/zinc/18/65/36/526186536.db2.gz XKBDGESMOSBHTJ-UHFFFAOYSA-N 0 0 436.512 2.563 50 0 IFAARN Cc1cc(C(=O)CN(C)CC(=O)N2CCCC2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000012766448 526203504 /nfs/dbraw/zinc/20/35/04/526203504.db2.gz GXURVLXAGPOCLZ-IBGZPJMESA-N 0 0 425.529 2.682 50 0 IFAARN Cc1cc(C(=O)CN2CCN(c3ncccn3)CC2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000035388046 526208675 /nfs/dbraw/zinc/20/86/75/526208675.db2.gz CKYLXNDKZDZMCC-UHFFFAOYSA-N 0 0 433.512 2.677 50 0 IFAARN Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1NC(=O)c1nsc2ccccc21 ZINC000035447663 526214879 /nfs/dbraw/zinc/21/48/79/526214879.db2.gz ZYPQVKMLDHUWBW-AWEZNQCLSA-N 0 0 429.523 2.774 50 0 IFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2F)n1N ZINC000021097432 526218400 /nfs/dbraw/zinc/21/84/00/526218400.db2.gz CNDMJTMITVVKKV-GFCCVEGCSA-N 0 0 426.477 2.654 50 0 IFAARN CSc1nn(CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c(=S)s1 ZINC000012914962 526225621 /nfs/dbraw/zinc/22/56/21/526225621.db2.gz VMHSNNWMBFNASM-UHFFFAOYSA-N 0 0 430.646 2.977 50 0 IFAARN COc1cccc(OC[C@@H](O)CNC(=O)c2cn(Cc3cccc4ccccc43)nn2)c1 ZINC000012746196 526233993 /nfs/dbraw/zinc/23/39/93/526233993.db2.gz FMMZXEYHFROHIH-IBGZPJMESA-N 0 0 432.480 2.658 50 0 IFAARN Cc1ccc2nc(C)c(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c(=O)n2c1 ZINC000012180787 526246012 /nfs/dbraw/zinc/24/60/12/526246012.db2.gz QMZWVNCGRUHIRT-UHFFFAOYSA-N 0 0 440.525 2.738 50 0 IFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCC1 ZINC000035449044 526253031 /nfs/dbraw/zinc/25/30/31/526253031.db2.gz BPPMSMXYPPSJDU-KRWDZBQOSA-N 0 0 433.574 2.541 50 0 IFAARN Cc1nn(CCC(=O)N[C@@H](C)CCc2ccccc2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029119 526278372 /nfs/dbraw/zinc/27/83/72/526278372.db2.gz JESIYCMVYLOKGP-KRWDZBQOSA-N 0 0 432.590 2.812 50 0 IFAARN O=C(C1CCC1)N1CCC2(CC1)N[C@@H](Cc1ccccc1)C(=O)N2CCc1ccccn1 ZINC000036026354 526293553 /nfs/dbraw/zinc/29/35/53/526293553.db2.gz TURLVKIIMLCPCA-QHCPKHFHSA-N 0 0 432.568 2.786 50 0 IFAARN Cc1nn(Cc2noc(C(=O)NCc3nc4ccccc4[nH]3)n2)c(C)c1Br ZINC000012372211 526300720 /nfs/dbraw/zinc/30/07/20/526300720.db2.gz LUIZSLBSXUPRTI-UHFFFAOYSA-N 0 0 430.266 2.500 50 0 IFAARN O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000020898383 526305189 /nfs/dbraw/zinc/30/51/89/526305189.db2.gz MUDFCKCJJSZOPA-UHFFFAOYSA-N 0 0 441.597 2.573 50 0 IFAARN O=C(NCCN1CCOCC1)[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000035703456 526318560 /nfs/dbraw/zinc/31/85/60/526318560.db2.gz ZCYDSXBWKHQGTE-NZQKXSOJSA-N 0 0 449.592 2.738 50 0 IFAARN O=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000022470590 526324214 /nfs/dbraw/zinc/32/42/14/526324214.db2.gz ZZYRYQBPGBWGTM-UHFFFAOYSA-N 0 0 426.476 2.601 50 0 IFAARN O=C(CC1=CSC2=NCCN12)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000012433181 526340142 /nfs/dbraw/zinc/34/01/42/526340142.db2.gz VZDFCJZUDDRTDF-KRWDZBQOSA-N 0 0 429.565 2.589 50 0 IFAARN O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)cnc1N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000035397824 526353859 /nfs/dbraw/zinc/35/38/59/526353859.db2.gz GBSVHYJWCUMBDM-QGZVFWFLSA-N 0 0 444.557 2.893 50 0 IFAARN Cc1csc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)n1 ZINC000012322431 526382778 /nfs/dbraw/zinc/38/27/78/526382778.db2.gz MPIVYJVXORFJAT-HNNXBMFYSA-N 0 0 430.505 2.821 50 0 IFAARN Cc1nnc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1 ZINC000012803234 526386953 /nfs/dbraw/zinc/38/69/53/526386953.db2.gz PLYNQXPKYSCXTO-UHFFFAOYSA-N 0 0 444.582 2.948 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026639 526394043 /nfs/dbraw/zinc/39/40/43/526394043.db2.gz KMJIWPBWLBFBAW-MRXNPFEDSA-N 0 0 438.557 2.722 50 0 IFAARN Cc1csc(SCC(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)n1 ZINC000012759387 526398104 /nfs/dbraw/zinc/39/81/04/526398104.db2.gz ZCEYBGHROVQTMY-ZDUSSCGKSA-N 0 0 431.630 2.822 50 0 IFAARN O=C(OCCN1CCN(S(=O)(=O)c2cccs2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000012564487 526419956 /nfs/dbraw/zinc/41/99/56/526419956.db2.gz WPTYUMZMPDMKDI-UHFFFAOYSA-N 0 0 438.615 2.814 50 0 IFAARN O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000015969783 526426103 /nfs/dbraw/zinc/42/61/03/526426103.db2.gz JPGPHUYJNJTZIE-UHFFFAOYSA-N 0 0 445.415 2.963 50 0 IFAARN O=C(OCc1ccccc1Br)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022820961 526426767 /nfs/dbraw/zinc/42/67/67/526426767.db2.gz TZDAXXBEHCVSDQ-UHFFFAOYSA-N 0 0 440.315 2.827 50 0 IFAARN O=C(NCCc1ccccn1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000021330489 526431857 /nfs/dbraw/zinc/43/18/57/526431857.db2.gz XSZBIRQEGJMYDM-UHFFFAOYSA-N 0 0 441.475 2.860 50 0 IFAARN O=C(NCCc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000011906217 526459027 /nfs/dbraw/zinc/45/90/27/526459027.db2.gz VYHGJIBACDPNQU-KRWDZBQOSA-N 0 0 449.536 2.759 50 0 IFAARN O=C(CCN1C(=O)COc2ccccc21)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000018122822 526478904 /nfs/dbraw/zinc/47/89/04/526478904.db2.gz PXGISYOSGXBDOY-UHFFFAOYSA-N 0 0 431.895 2.939 50 0 IFAARN O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1ccccc1 ZINC000012389125 526502786 /nfs/dbraw/zinc/50/27/86/526502786.db2.gz COVADIMFKZQKAC-INIZCTEOSA-N 0 0 449.960 2.886 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NCCC1=CCCCC1 ZINC000021111802 526512166 /nfs/dbraw/zinc/51/21/66/526512166.db2.gz TZIMILYWXXRXIO-UHFFFAOYSA-N 0 0 445.585 2.661 50 0 IFAARN O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1)c1cccnc1 ZINC000012583069 526514264 /nfs/dbraw/zinc/51/42/64/526514264.db2.gz JQFSXXKUFXHYJD-AWEZNQCLSA-N 0 0 443.447 2.811 50 0 IFAARN O=C(CCSc1nnc(CN2CCCC2=O)n1-c1ccccn1)NC1CCCCC1 ZINC000021481327 526545335 /nfs/dbraw/zinc/54/53/35/526545335.db2.gz QYANYWYYYFPEIH-UHFFFAOYSA-N 0 0 428.562 2.716 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000012552761 526550112 /nfs/dbraw/zinc/55/01/12/526550112.db2.gz LKCMZLNXZXDTQU-UHFFFAOYSA-N 0 0 442.335 2.591 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000012573251 526555078 /nfs/dbraw/zinc/55/50/78/526555078.db2.gz QPABWLVOTGMAAQ-GFCCVEGCSA-N 0 0 445.526 2.973 50 0 IFAARN O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000012877595 526556185 /nfs/dbraw/zinc/55/61/85/526556185.db2.gz WOFFIUMVBVFVAX-LJQANCHMSA-N 0 0 438.505 2.735 50 0 IFAARN O=C([C@H]1Cc2ccccc2O1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000012932873 526570555 /nfs/dbraw/zinc/57/05/55/526570555.db2.gz LLXBZEAZVMPUPY-HXUWFJFHSA-N 0 0 436.899 2.538 50 0 IFAARN O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCc1nc(-c2ccccc2)no1 ZINC000012328707 526575915 /nfs/dbraw/zinc/57/59/15/526575915.db2.gz HHXBPDXBVLBXSY-XMMPIXPASA-N 0 0 448.479 2.753 50 0 IFAARN O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012556341 526579821 /nfs/dbraw/zinc/57/98/21/526579821.db2.gz SMEKTKUPEWDDQO-UHFFFAOYSA-N 0 0 446.529 2.821 50 0 IFAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023936017 526591543 /nfs/dbraw/zinc/59/15/43/526591543.db2.gz COIUMTTXRYLDOK-LJQANCHMSA-N 0 0 435.549 2.847 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)c2)no1 ZINC000033279219 526622445 /nfs/dbraw/zinc/62/24/45/526622445.db2.gz SDXFUHVNQDMWCM-CQSZACIVSA-N 0 0 426.564 2.670 50 0 IFAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012391820 526626683 /nfs/dbraw/zinc/62/66/83/526626683.db2.gz FJXQCADDGQPFCM-UHFFFAOYSA-N 0 0 434.518 2.528 50 0 IFAARN O=C(CCc1cnccn1)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000020539631 526637953 /nfs/dbraw/zinc/63/79/53/526637953.db2.gz DYLWYXUYHXJMBB-QHCPKHFHSA-N 0 0 449.599 2.772 50 0 IFAARN O=C(c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)N1CCN(Cc2ccccc2)CC1 ZINC000035562425 526643462 /nfs/dbraw/zinc/64/34/62/526643462.db2.gz OJZCGQAVZOQSSX-UHFFFAOYSA-N 0 0 443.551 2.887 50 0 IFAARN Cc1nc(C(=O)NCc2ccc(CN3CCOCC3)cc2)nn1-c1ccc(Cl)cc1 ZINC000021936269 526650595 /nfs/dbraw/zinc/65/05/95/526650595.db2.gz YYQKLZKATCWMED-UHFFFAOYSA-N 0 0 425.920 2.991 50 0 IFAARN O=C(CCc1nnc2ccc(NCc3ccco3)nn21)N1CCN(Cc2ccccc2)CC1 ZINC000021024028 526665179 /nfs/dbraw/zinc/66/51/79/526665179.db2.gz OCZKVIJNUNLEDC-UHFFFAOYSA-N 0 0 445.527 2.606 50 0 IFAARN O=C(NCc1ccc(F)c(F)c1)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O ZINC000012100144 526669978 /nfs/dbraw/zinc/66/99/78/526669978.db2.gz KDJYILYEPAAQAV-UHFFFAOYSA-N 0 0 437.446 2.997 50 0 IFAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2nn3c(nc4c(c3=O)CCCC4)s2)C1 ZINC000021663949 526672743 /nfs/dbraw/zinc/67/27/43/526672743.db2.gz IDBGCKUSLJMPGN-HNNXBMFYSA-N 0 0 441.532 2.702 50 0 IFAARN O=C(CCn1cnc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012852851 526685071 /nfs/dbraw/zinc/68/50/71/526685071.db2.gz SSTQVGTUDKDVLS-UHFFFAOYSA-N 0 0 440.525 2.600 50 0 IFAARN O=C(c1ccc(F)cc1)[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)n1ccccc1=O ZINC000012630335 526691277 /nfs/dbraw/zinc/69/12/77/526691277.db2.gz MGVIXAYLJZODOV-QHCPKHFHSA-N 0 0 433.483 2.756 50 0 IFAARN O=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000020867314 526693176 /nfs/dbraw/zinc/69/31/76/526693176.db2.gz SMYQJLGKIXVIQQ-IAGOWNOFSA-N 0 0 437.493 2.678 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1C(F)(F)F ZINC000012928362 526693888 /nfs/dbraw/zinc/69/38/88/526693888.db2.gz UXDMDMJBBZKWCF-UHFFFAOYSA-N 0 0 434.461 2.718 50 0 IFAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000012532844 526717937 /nfs/dbraw/zinc/71/79/37/526717937.db2.gz ALKJEYNSWGETEL-WFXMLNOXSA-N 0 0 428.492 2.914 50 0 IFAARN O=C(NCc1cccc(NC(=O)C2CC2)c1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000012757555 526721318 /nfs/dbraw/zinc/72/13/18/526721318.db2.gz MHXYZWLHBRAVFJ-LJQANCHMSA-N 0 0 428.558 2.969 50 0 IFAARN O=C(c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021087727 526725937 /nfs/dbraw/zinc/72/59/37/526725937.db2.gz KEPOSYCXRSSGCJ-NRFANRHFSA-N 0 0 448.523 2.684 50 0 IFAARN O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1F ZINC000012627164 526745042 /nfs/dbraw/zinc/74/50/42/526745042.db2.gz ZKJWNQMXGUSYRX-UHFFFAOYSA-N 0 0 426.897 2.571 50 0 IFAARN O=C(NCc1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012762064 526747589 /nfs/dbraw/zinc/74/75/89/526747589.db2.gz NSMAPVIDERDUFQ-QGZVFWFLSA-N 0 0 436.917 2.581 50 0 IFAARN O=C(c1cccc(Cl)c1)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 ZINC000035376416 526757600 /nfs/dbraw/zinc/75/76/00/526757600.db2.gz ALFSCHKOVQPEPA-UHFFFAOYSA-N 0 0 425.916 2.816 50 0 IFAARN O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000012692183 526766280 /nfs/dbraw/zinc/76/62/80/526766280.db2.gz SDUUOMPJCUMRHA-UHFFFAOYSA-N 0 0 440.569 2.817 50 0 IFAARN O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000022790834 526768929 /nfs/dbraw/zinc/76/89/29/526768929.db2.gz GJCGUPOIEGVHGH-UHFFFAOYSA-N 0 0 448.611 2.912 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000034854151 526778629 /nfs/dbraw/zinc/77/86/29/526778629.db2.gz LNVBFKKJCJHFSD-UHFFFAOYSA-N 0 0 433.961 2.774 50 0 IFAARN O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000022793801 526781392 /nfs/dbraw/zinc/78/13/92/526781392.db2.gz DCDXZGSTZKCWCU-IBGZPJMESA-N 0 0 437.565 2.822 50 0 IFAARN Cc1oc2cc(O[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 ZINC000009666043 526781538 /nfs/dbraw/zinc/78/15/38/526781538.db2.gz BMKTXQDWQOBCMN-WBVHZDCISA-N 0 0 441.505 2.839 50 0 IFAARN O=C(CN1CCOCC1)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000021422113 526788333 /nfs/dbraw/zinc/78/83/33/526788333.db2.gz SUXCIABTPUMOTN-UHFFFAOYSA-N 0 0 445.567 2.516 50 0 IFAARN O=C(c1ccccc1Cl)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1 ZINC000035376541 526802608 /nfs/dbraw/zinc/80/26/08/526802608.db2.gz ACJBNJMQVNTCQI-UHFFFAOYSA-N 0 0 443.906 2.955 50 0 IFAARN O=C(c1ccccc1Cl)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 ZINC000035376535 526803020 /nfs/dbraw/zinc/80/30/20/526803020.db2.gz PPAKVWGWGCJCOF-UHFFFAOYSA-N 0 0 425.916 2.816 50 0 IFAARN O=C(CN1CCc2ccccc2C1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000012688880 526812421 /nfs/dbraw/zinc/81/24/21/526812421.db2.gz KATIJULKLOTSHM-UHFFFAOYSA-N 0 0 440.503 2.572 50 0 IFAARN O=C(CN1C[C@H](c2ccccc2)CC1=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000014993370 526820622 /nfs/dbraw/zinc/82/06/22/526820622.db2.gz NRFLVXIIHJNEFH-WOJBJXKFSA-N 0 0 428.492 2.579 50 0 IFAARN O=C(CN1c2ccccc2[C@]2(SCC(=O)N2c2ccccc2)C1=O)NCc1ccco1 ZINC000020573831 526828785 /nfs/dbraw/zinc/82/87/85/526828785.db2.gz YWDHCJITRWSVGQ-QHCPKHFHSA-N 0 0 433.489 2.875 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2cnn(-c3cccc(F)c3)c2-n2cccc2)CC1 ZINC000020980564 526829485 /nfs/dbraw/zinc/82/94/85/526829485.db2.gz TZYVTWPQZSMSPF-UHFFFAOYSA-N 0 0 433.443 2.993 50 0 IFAARN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000012806593 526857311 /nfs/dbraw/zinc/85/73/11/526857311.db2.gz SPGVCHHGPILWPH-FQEVSTJZSA-N 0 0 439.537 2.685 50 0 IFAARN O=C(CNC(=O)c1ccco1)NCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000012764222 526869100 /nfs/dbraw/zinc/86/91/00/526869100.db2.gz AYSGLSBQZDLGQQ-CXSBNTHRSA-N 0 0 443.503 2.539 50 0 IFAARN Cc1sc2nc(CN3CCN(CC(=O)NCCC4=CCCCC4)CC3)[nH]c(=O)c2c1C ZINC000022247143 526891853 /nfs/dbraw/zinc/89/18/53/526891853.db2.gz OOMNRUIOAJZHCE-UHFFFAOYSA-N 0 0 443.617 2.726 50 0 IFAARN O=C(c1csc(-c2cccs2)n1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012792030 526901485 /nfs/dbraw/zinc/90/14/85/526901485.db2.gz QDAFIUPASDUSCY-QGZVFWFLSA-N 0 0 441.534 2.996 50 0 IFAARN O=C(c1csc(-c2ccsc2)n1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012916729 526902363 /nfs/dbraw/zinc/90/23/63/526902363.db2.gz ZNDPBRCVNMTXTJ-GOSISDBHSA-N 0 0 441.534 2.996 50 0 IFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccc[nH]1 ZINC000021727693 526906342 /nfs/dbraw/zinc/90/63/42/526906342.db2.gz JOPIKWMVWGJRLQ-UHFFFAOYSA-N 0 0 430.526 2.720 50 0 IFAARN O=C(COC(=O)CCC1CCCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012599520 526907431 /nfs/dbraw/zinc/90/74/31/526907431.db2.gz PNDZTENFNHMLJA-UHFFFAOYSA-N 0 0 438.546 2.550 50 0 IFAARN O=C(COC(=O)CCn1nc(-c2cccs2)oc1=O)Nc1ncc(Cl)cc1Cl ZINC000021738635 526907694 /nfs/dbraw/zinc/90/76/94/526907694.db2.gz XNIKAUMQPFCVLV-UHFFFAOYSA-N 0 0 443.268 2.839 50 0 IFAARN O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(Cl)cc1Cl ZINC000012640974 526907806 /nfs/dbraw/zinc/90/78/06/526907806.db2.gz VVDUUCYWPGYQJE-GJZGRUSLSA-N 0 0 441.311 2.718 50 0 IFAARN Cc1nc(COc2ccccc2C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)no1 ZINC000023700794 526911448 /nfs/dbraw/zinc/91/14/48/526911448.db2.gz JMSKJTHBFPMFNF-UHFFFAOYSA-N 0 0 432.362 2.949 50 0 IFAARN O=C(COC(=O)c1cccc(NS(=O)(=O)/C=C\c2ccccc2)c1)NCC(F)(F)F ZINC000033478975 526915953 /nfs/dbraw/zinc/91/59/53/526915953.db2.gz NFUDGVCMCSNVHW-KTKRTIGZSA-N 0 0 442.415 2.935 50 0 IFAARN O=C(COc1c(F)c(F)c(F)c(F)c1F)N1CC(=O)N2CCc3ccccc3[C@H]2C1 ZINC000022659862 526944355 /nfs/dbraw/zinc/94/43/55/526944355.db2.gz SJCAJPQGGUDNJH-GFCCVEGCSA-N 0 0 426.341 2.729 50 0 IFAARN O=C1CCCN1Cc1nnc(SCCCn2c(=O)[nH]c3ccccc32)n1-c1ccccn1 ZINC000012527586 526978322 /nfs/dbraw/zinc/97/83/22/526978322.db2.gz QJNSXRJRXCELRK-UHFFFAOYSA-N 0 0 449.540 2.610 50 0 IFAARN O=C(COc1ccccc1)NCCc1nnc2n1CCN(Cc1cccc(Cl)c1)CC2 ZINC000012149746 526984476 /nfs/dbraw/zinc/98/44/76/526984476.db2.gz GJVHBMBZHCWWJV-UHFFFAOYSA-N 0 0 439.947 2.728 50 0 IFAARN O=C(COc1ccccc1Br)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000012805103 526986632 /nfs/dbraw/zinc/98/66/32/526986632.db2.gz NOZLPRUBGCSUPU-ZDUSSCGKSA-N 0 0 428.304 2.637 50 0 IFAARN O=C1CS(=O)(=O)[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)N1c1ccccc1 ZINC000020577364 527014736 /nfs/dbraw/zinc/01/47/36/527014736.db2.gz CAZIIXVAINACOT-HSZRJFAPSA-N 0 0 436.464 2.987 50 0 IFAARN O=C1CS[C@@]2(c3ccccc3N(CN3CCOCC3)C2=O)N1c1cccc(Cl)c1 ZINC000022298975 527016995 /nfs/dbraw/zinc/01/69/95/527016995.db2.gz RZYQIDGBHPZRFI-OAQYLSRUSA-N 0 0 429.929 2.909 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnnn1Cc1cccs1)CCCC2 ZINC000021738288 527021415 /nfs/dbraw/zinc/02/14/15/527021415.db2.gz HDNBIRCVULZDAZ-UHFFFAOYSA-N 0 0 434.572 2.553 50 0 IFAARN O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)Nc1cc(F)cc(F)c1 ZINC000033277178 527036401 /nfs/dbraw/zinc/03/64/01/527036401.db2.gz WJBXSPPVOKTTSJ-UHFFFAOYSA-N 0 0 447.511 2.981 50 0 IFAARN O=C1N(CN2CCOCC2)c2ccccc2[C@]12OC[C@H](COc1ccc(Cl)cc1)O2 ZINC000020494804 527038122 /nfs/dbraw/zinc/03/81/22/527038122.db2.gz HSRQKNLJNNFPDB-PGRDOPGGSA-N 0 0 430.888 2.624 50 0 IFAARN Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccccc1F ZINC000015019745 527051770 /nfs/dbraw/zinc/05/17/70/527051770.db2.gz STUFFMSIABVUEP-UHFFFAOYSA-N 0 0 449.533 2.651 50 0 IFAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccc(O)cc2)CC1 ZINC000022202870 527056870 /nfs/dbraw/zinc/05/68/70/527056870.db2.gz OXKXOKBOSOGKBD-UHFFFAOYSA-N 0 0 442.519 2.967 50 0 IFAARN NC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000012882552 527060318 /nfs/dbraw/zinc/06/03/18/527060318.db2.gz YYCXISVOVRZNNI-UHFFFAOYSA-N 0 0 445.884 2.565 50 0 IFAARN Cn1c2c(c(=O)n(C)c1=O)n(Cc1ccccc1)c1nnc(-c3c(F)cccc3Cl)n12 ZINC000010968575 527091280 /nfs/dbraw/zinc/09/12/80/527091280.db2.gz RCWTUBBGKMRVDW-UHFFFAOYSA-N 0 0 438.850 2.589 50 0 IFAARN Cn1c2ccc(/C=C3\NC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2n(C)c1=O ZINC000033436444 527097163 /nfs/dbraw/zinc/09/71/63/527097163.db2.gz WXCKQKJOHABGKO-DHDCSXOGSA-N 0 0 441.285 2.732 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1cn2ccsc2n1 ZINC000012306267 527100911 /nfs/dbraw/zinc/10/09/11/527100911.db2.gz KEVHCAUOBYTBRX-HXUWFJFHSA-N 0 0 433.537 2.556 50 0 IFAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000023317365 527114178 /nfs/dbraw/zinc/11/41/78/527114178.db2.gz IXRFYKALBRLOGD-LJQANCHMSA-N 0 0 449.555 2.529 50 0 IFAARN Cn1c2cn(-c3ccccc3CO)c(-c3ccccc3Br)c2c(=O)n(C)c1=O ZINC000012428161 527118330 /nfs/dbraw/zinc/11/83/30/527118330.db2.gz OZFLWCOBZXQSOY-UHFFFAOYSA-N 0 0 440.297 2.950 50 0 IFAARN Cn1c2nc(CN3CCc4ccccc4C3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000020533253 527120314 /nfs/dbraw/zinc/12/03/14/527120314.db2.gz DLWBRPINRKWWCC-UHFFFAOYSA-N 0 0 443.551 2.625 50 0 IFAARN Cn1c2ncn(CC(=O)Nc3ccccc3Oc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000012541382 527124446 /nfs/dbraw/zinc/12/44/46/527124446.db2.gz IRZLUGBKMXVPMB-UHFFFAOYSA-N 0 0 439.859 2.518 50 0 IFAARN O=C1c2ccccc2C(=O)N1CCSc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000022216999 527129743 /nfs/dbraw/zinc/12/97/43/527129743.db2.gz ATNAMHRTRDNEEQ-UHFFFAOYSA-N 0 0 431.539 2.645 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cccc(NC(=O)C2CC2)c1 ZINC000021006272 527130347 /nfs/dbraw/zinc/13/03/47/527130347.db2.gz INBSTTJPXZCFEO-UHFFFAOYSA-N 0 0 429.498 2.778 50 0 IFAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCCc1ccccc1 ZINC000012233069 527136767 /nfs/dbraw/zinc/13/67/67/527136767.db2.gz FUHOKFUVUHUIIE-GOSISDBHSA-N 0 0 431.521 2.978 50 0 IFAARN O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000020745200 527138378 /nfs/dbraw/zinc/13/83/78/527138378.db2.gz ANUWIEVIIHBVSQ-FQEVSTJZSA-N 0 0 449.507 2.707 50 0 IFAARN Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000032983254 527157995 /nfs/dbraw/zinc/15/79/95/527157995.db2.gz RWUIRUBLTKAIHI-DEOSSOPVSA-N 0 0 445.519 2.905 50 0 IFAARN O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000018047300 527187496 /nfs/dbraw/zinc/18/74/96/527187496.db2.gz XGUORRHBOCQQIB-AZUAARDMSA-N 0 0 429.517 2.818 50 0 IFAARN O=C(Cc1c[nH]c2ccccc12)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000020735656 527203214 /nfs/dbraw/zinc/20/32/14/527203214.db2.gz LUVZRZBBISVPJK-INIZCTEOSA-N 0 0 438.915 2.649 50 0 IFAARN O=S(=O)(N1CCCCC1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000022844141 527204343 /nfs/dbraw/zinc/20/43/43/527204343.db2.gz KSQSJYUNINZTCO-UHFFFAOYSA-N 0 0 426.892 2.997 50 0 IFAARN O=C(Cc1ccc(F)cc1)NCCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012429185 527230087 /nfs/dbraw/zinc/23/00/87/527230087.db2.gz HPXQCPYMVGVHDL-UHFFFAOYSA-N 0 0 436.365 2.983 50 0 IFAARN O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc(Br)cc1 ZINC000012933312 527231804 /nfs/dbraw/zinc/23/18/04/527231804.db2.gz JNZNKMSAHVOZEY-UHFFFAOYSA-N 0 0 425.348 2.760 50 0 IFAARN O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000012630390 527250691 /nfs/dbraw/zinc/25/06/91/527250691.db2.gz TYKYSDKAXBECRW-UHFFFAOYSA-N 0 0 436.433 2.926 50 0 IFAARN O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Br)cc1 ZINC000012652674 527250813 /nfs/dbraw/zinc/25/08/13/527250813.db2.gz OMNKAYOBXPGFGJ-UHFFFAOYSA-N 0 0 431.333 2.691 50 0 IFAARN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000012805468 527285939 /nfs/dbraw/zinc/28/59/39/527285939.db2.gz VHAGFMGYMKPMEX-UHFFFAOYSA-N 0 0 440.934 2.561 50 0 IFAARN NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1 ZINC000012891335 527308798 /nfs/dbraw/zinc/30/87/98/527308798.db2.gz JVTUEPVFCJVMMT-UHFFFAOYSA-N 0 0 442.566 2.925 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)cc1 ZINC000013113332 527316534 /nfs/dbraw/zinc/31/65/34/527316534.db2.gz BGSGSJNVRIHXLX-UHFFFAOYSA-N 0 0 449.583 2.644 50 0 IFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NCCc1ccco1 ZINC000033068617 527349761 /nfs/dbraw/zinc/34/97/61/527349761.db2.gz BMYWPUKPQVOTID-UHFFFAOYSA-N 0 0 437.883 2.817 50 0 IFAARN O=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000020533822 527351111 /nfs/dbraw/zinc/35/11/11/527351111.db2.gz JXSICEYGSDWOMK-UHFFFAOYSA-N 0 0 433.464 2.647 50 0 IFAARN O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 ZINC000012389509 527351928 /nfs/dbraw/zinc/35/19/28/527351928.db2.gz PLFVQBVJARERDS-QGZVFWFLSA-N 0 0 433.443 2.536 50 0 IFAARN O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)nc31)CCC2)N1CCc2ccccc2C1 ZINC000021807631 527357671 /nfs/dbraw/zinc/35/76/71/527357671.db2.gz BKCWOLGYRZDXPJ-UHFFFAOYSA-N 0 0 425.492 2.632 50 0 IFAARN Cn1ccc2cc(S(=O)(=O)N3CCN(C(=O)NCc4ccc(F)cc4)CC3)ccc21 ZINC000021087946 527374364 /nfs/dbraw/zinc/37/43/64/527374364.db2.gz XJTDAVHUVWFRSP-UHFFFAOYSA-N 0 0 430.505 2.534 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)NCCCc1ccccc1 ZINC000035506067 527391950 /nfs/dbraw/zinc/39/19/50/527391950.db2.gz PKBSOXWIKOKLAC-UHFFFAOYSA-N 0 0 430.464 2.641 50 0 IFAARN O=C(Cn1ccn(-c2ccc(F)c(F)c2)c(=O)c1=O)Nc1ccccc1C(F)(F)F ZINC000020489073 527392851 /nfs/dbraw/zinc/39/28/51/527392851.db2.gz RYYVALVADFXPMR-UHFFFAOYSA-N 0 0 425.313 2.935 50 0 IFAARN O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)N1CC=C(c2ccccc2)CC1 ZINC000015767899 527398039 /nfs/dbraw/zinc/39/80/39/527398039.db2.gz YPBATBLMSNRVKH-UHFFFAOYSA-N 0 0 448.548 2.950 50 0 IFAARN O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccccc1I ZINC000012814444 527413825 /nfs/dbraw/zinc/41/38/25/527413825.db2.gz ULKIINTXWQJQMI-UHFFFAOYSA-N 0 0 427.223 2.808 50 0 IFAARN O=C(Cn1ncc(Br)c(Br)c1=O)NCc1ccc(Cl)cc1 ZINC000023557214 527422307 /nfs/dbraw/zinc/42/23/07/527422307.db2.gz CULMKTOMULYXJH-UHFFFAOYSA-N 0 0 435.503 2.738 50 0 IFAARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCN(c2ccccc2F)CC1 ZINC000012788987 527427846 /nfs/dbraw/zinc/42/78/46/527427846.db2.gz UMGCYZAOLWOEEL-UHFFFAOYSA-N 0 0 434.397 2.847 50 0 IFAARN O=C(Cn1nnc(COc2ccccc2)n1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000013128413 527429721 /nfs/dbraw/zinc/42/97/21/527429721.db2.gz SEUPRWQNRXNURM-UHFFFAOYSA-N 0 0 444.499 2.876 50 0 IFAARN O=c1[nH]c(CN2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)nc2cc(Cl)ccc12 ZINC000033497318 527438651 /nfs/dbraw/zinc/43/86/51/527438651.db2.gz SWVGFORMUIBORT-JYRVWZFOSA-N 0 0 444.944 2.695 50 0 IFAARN O=C(N=c1[nH]c2ccccc2[nH]1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012321882 527450963 /nfs/dbraw/zinc/45/09/63/527450963.db2.gz WADVTMGOWRZZCC-UHFFFAOYSA-N 0 0 430.505 2.847 50 0 IFAARN O=c1cc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c2cc3c(cc2o1)CCC3 ZINC000012790376 527477859 /nfs/dbraw/zinc/47/78/59/527477859.db2.gz NKOWDFUERHNVKJ-UHFFFAOYSA-N 0 0 442.512 2.927 50 0 IFAARN O=c1ccc(N2CCCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nn1-c1ccccc1 ZINC000033264836 527487100 /nfs/dbraw/zinc/48/71/00/527487100.db2.gz SRSLLNNCXKGLMK-UHFFFAOYSA-N 0 0 444.944 2.787 50 0 IFAARN O=C(NC1CCCC1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000035807634 527507682 /nfs/dbraw/zinc/50/76/82/527507682.db2.gz SAPRKDGLPXUFSO-RPWUZVMVSA-N 0 0 430.552 2.969 50 0 IFAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O ZINC000023950997 527522476 /nfs/dbraw/zinc/52/24/76/527522476.db2.gz DCJTUJYSLMSURJ-UHFFFAOYSA-N 0 0 445.479 2.689 50 0 IFAARN O=C(Nc1nnc(-c2ccno2)o1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000012234626 527531566 /nfs/dbraw/zinc/53/15/66/527531566.db2.gz UCKRCYQQIURNEI-SECBINFHSA-N 0 0 443.894 2.621 50 0 IFAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000021293551 527534800 /nfs/dbraw/zinc/53/48/00/527534800.db2.gz ODDJNMQPPGKDDZ-GFCCVEGCSA-N 0 0 442.950 2.779 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000022413395 527539109 /nfs/dbraw/zinc/53/91/09/527539109.db2.gz OAEYZSUGRUWMJR-LJQANCHMSA-N 0 0 438.553 2.923 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1c(C)nc2c(C(N)=O)ncn2c1C ZINC000024753511 527543843 /nfs/dbraw/zinc/54/38/43/527543843.db2.gz ZZVGIQFDVIGASR-UHFFFAOYSA-N 0 0 431.500 2.819 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C)ccc1C ZINC000012817174 527545365 /nfs/dbraw/zinc/54/53/65/527545365.db2.gz MVVVMCPMWIGKEQ-JOCHJYFZSA-N 0 0 438.553 2.968 50 0 IFAARN Cn1nc(C(=O)Nc2nc3ccccc3n2C)cc1C(=O)Nc1nc2ccccc2n1C ZINC000020617463 527547545 /nfs/dbraw/zinc/54/75/45/527547545.db2.gz LAECPHGIKPBVNV-UHFFFAOYSA-N 0 0 428.456 2.698 50 0 IFAARN Cc1nn(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2Cc2ccccc2F)c(C)c1C ZINC000012232063 527570899 /nfs/dbraw/zinc/57/08/99/527570899.db2.gz UPSQOQPZEKHNDF-UHFFFAOYSA-N 0 0 438.507 2.851 50 0 IFAARN O=C(NCC1(O)CCCCC1)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 ZINC000020906130 527575953 /nfs/dbraw/zinc/57/59/53/527575953.db2.gz HTTBXEYMNXXDOP-JXMROGBWSA-N 0 0 438.572 2.931 50 0 IFAARN Nn1c(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nnc1-c1cccs1 ZINC000021468943 527583154 /nfs/dbraw/zinc/58/31/54/527583154.db2.gz HKYQAFMEYUAIMB-AWEZNQCLSA-N 0 0 443.554 2.947 50 0 IFAARN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCSC[C@@H]12 ZINC000035907893 527672365 /nfs/dbraw/zinc/67/23/65/527672365.db2.gz MSFHIFDTGPGSFL-HKUYNNGSSA-N 0 0 443.535 2.638 50 0 IFAARN O=C(NCCCN1CCOCC1)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000012845530 527673113 /nfs/dbraw/zinc/67/31/13/527673113.db2.gz LGNZOCCREPMYEY-MSOLQXFVSA-N 0 0 437.466 2.996 50 0 IFAARN Cc1nn(C)cc1[C@@H]1Oc2ccc(O)cc2C2=Nc3ncnn3[C@@H](c3cn(C)nc3C)C21 ZINC000017096861 527697978 /nfs/dbraw/zinc/69/79/78/527697978.db2.gz BUSDNXYLHAFKSX-SFTDATJTSA-N 0 0 430.472 2.627 50 0 IFAARN Cc1nn(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c2ccccc12 ZINC000021302464 527701033 /nfs/dbraw/zinc/70/10/33/527701033.db2.gz LGEPKPNQLBFDNX-UHFFFAOYSA-N 0 0 432.402 2.821 50 0 IFAARN CC1(C)NC(=O)N(CC(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)C1=O ZINC000009284717 534975719 /nfs/dbraw/zinc/97/57/19/534975719.db2.gz MGNDATZGGXTAEV-UHFFFAOYSA-N 0 0 425.466 2.690 50 0 IFAARN CCN1C(=O)C[C@](CC(=O)N2CCN(c3ccc(F)cc3)CC2)(c2ccccc2C)C1=O ZINC000011838588 535434659 /nfs/dbraw/zinc/43/46/59/535434659.db2.gz GSIHVASJOALWNS-RUZDIDTESA-N 0 0 437.515 2.890 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=S)Nc2cccnc2)c1 ZINC000009443561 535633914 /nfs/dbraw/zinc/63/39/14/535633914.db2.gz RQLVDYXTJFEDFV-UHFFFAOYSA-N 0 0 449.602 2.758 50 0 IFAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(C)c(C)c2)[C@@](C)(C(=O)NC2CCCCCC2)C1 ZINC000008590635 535656760 /nfs/dbraw/zinc/65/67/60/535656760.db2.gz ICEMWGVMXLLZNT-HSZRJFAPSA-N 0 0 449.617 2.899 50 0 IFAARN COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1 ZINC000011694000 536562280 /nfs/dbraw/zinc/56/22/80/536562280.db2.gz SCVVWAYGRQINJO-UHFFFAOYSA-N 0 0 428.514 2.873 50 0 IFAARN COc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2)c4=O)cc1 ZINC000009160505 536708823 /nfs/dbraw/zinc/70/88/23/536708823.db2.gz ZHBOMHNEPYIMJC-MRXNPFEDSA-N 0 0 431.496 2.741 50 0 IFAARN COc1ccc2c(c1)CCCN2C(=O)CSc1nnc(N2CCOCC2)n1C1CC1 ZINC000011776345 536968075 /nfs/dbraw/zinc/96/80/75/536968075.db2.gz TXTSZZPLRRMDHB-UHFFFAOYSA-N 0 0 429.546 2.530 50 0 IFAARN COc1ccc2c(c1)[C@H]1NC(=S)N(c3ccccc3OC)[C@@](C)(O2)[C@H]1C(=O)N(C)C ZINC000002963070 537012435 /nfs/dbraw/zinc/01/24/35/537012435.db2.gz VHYSXWGEFCCWFK-KNKQGSTJSA-N 0 0 427.526 2.953 50 0 IFAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)c1 ZINC000009680356 537124444 /nfs/dbraw/zinc/12/44/44/537124444.db2.gz IJPOMJAECMPERV-MRXNPFEDSA-N 0 0 429.542 2.504 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)COn1nnc3ccc(C(F)(F)F)cc31)CCCC2 ZINC000009125834 555509694 /nfs/dbraw/zinc/50/96/94/555509694.db2.gz SEZKAPNTNYRQFC-UHFFFAOYSA-N 0 0 439.419 2.557 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000628107 555513478 /nfs/dbraw/zinc/51/34/78/555513478.db2.gz BLDNSYRSCINTMS-GTVARFKMSA-N 0 0 440.546 2.868 50 0 IFAARN COc1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(OC)c1 ZINC000000653165 555523810 /nfs/dbraw/zinc/52/38/10/555523810.db2.gz IWXLJTSKGVJLDM-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC ZINC000000666085 555528624 /nfs/dbraw/zinc/52/86/24/555528624.db2.gz IJJVECBLJCOGRR-UHFFFAOYSA-N 0 0 434.558 2.682 50 0 IFAARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000000706492 555545100 /nfs/dbraw/zinc/54/51/00/555545100.db2.gz UHOGOPMXBVADHU-MGPLVRAMSA-N 0 0 439.262 2.528 50 0 IFAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Br)c1O ZINC000000706412 555545117 /nfs/dbraw/zinc/54/51/17/555545117.db2.gz KPZLXCIQQVWELB-XHDPSFHLSA-N 0 0 441.278 2.513 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000000779540 555554497 /nfs/dbraw/zinc/55/44/97/555554497.db2.gz XQUIQAZHZFBKDW-UHFFFAOYSA-N 0 0 440.521 2.760 50 0 IFAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(OC)c2OC)c(OC)c1 ZINC000000779986 555554693 /nfs/dbraw/zinc/55/46/93/555554693.db2.gz HAELFPIETVGVGB-LJQANCHMSA-N 0 0 427.457 2.988 50 0 IFAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000000784361 555556072 /nfs/dbraw/zinc/55/60/72/555556072.db2.gz OJDLMRUJWRTBPE-UHFFFAOYSA-N 0 0 449.960 2.644 50 0 IFAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000000792740 555557379 /nfs/dbraw/zinc/55/73/79/555557379.db2.gz QTNZOVBHTGQUTM-UHFFFAOYSA-N 0 0 443.525 2.732 50 0 IFAARN COC(=O)c1c(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)sc2c1CCCC2 ZINC000000798635 555558682 /nfs/dbraw/zinc/55/86/82/555558682.db2.gz BPEZSMUVLSVYJG-UHFFFAOYSA-N 0 0 440.518 2.957 50 0 IFAARN COc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000812351 555560808 /nfs/dbraw/zinc/56/08/08/555560808.db2.gz ZLVJIKZJOLFSED-UHFFFAOYSA-N 0 0 429.473 2.741 50 0 IFAARN Cc1nc(S[C@@H](C)C(=O)N(C)c2ccccc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000010525577 555561351 /nfs/dbraw/zinc/56/13/51/555561351.db2.gz MGBILXCZAPRQQT-AWEZNQCLSA-N 0 0 441.557 2.598 50 0 IFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1 ZINC000000814590 555561428 /nfs/dbraw/zinc/56/14/28/555561428.db2.gz VMEOMLASMUENSD-UHFFFAOYSA-N 0 0 444.553 2.689 50 0 IFAARN COc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1OC ZINC000000824333 555564480 /nfs/dbraw/zinc/56/44/80/555564480.db2.gz SYPRUENJKCFKOO-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000831268 555566378 /nfs/dbraw/zinc/56/63/78/555566378.db2.gz XATLBWUBRVJJAV-SQWSFHKJSA-N 0 0 438.480 2.556 50 0 IFAARN O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000000837357 555567346 /nfs/dbraw/zinc/56/73/46/555567346.db2.gz PXMFFRDHNXGFLC-UHFFFAOYSA-N 0 0 429.325 2.944 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000000840870 555568127 /nfs/dbraw/zinc/56/81/27/555568127.db2.gz YJOCLEWXPSBMGU-UHFFFAOYSA-N 0 0 437.543 2.620 50 0 IFAARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000000862485 555572974 /nfs/dbraw/zinc/57/29/74/555572974.db2.gz ATVOSSIRTDARCB-LJQANCHMSA-N 0 0 427.457 2.988 50 0 IFAARN O=C(/C=C/c1cc(Br)ccc1F)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009465690 555575562 /nfs/dbraw/zinc/57/55/62/555575562.db2.gz DMEYMAVENQBYNG-LZCJLJQNSA-N 0 0 434.221 2.953 50 0 IFAARN COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000893869 555579963 /nfs/dbraw/zinc/57/99/63/555579963.db2.gz ZUSPMSYSISNNQF-UHFFFAOYSA-N 0 0 425.510 2.910 50 0 IFAARN Cn1c2nc(Br)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000000894432 555580273 /nfs/dbraw/zinc/58/02/73/555580273.db2.gz FDQTWHPROPDCOJ-UHFFFAOYSA-N 0 0 425.286 2.756 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000000899540 555580874 /nfs/dbraw/zinc/58/08/74/555580874.db2.gz VKSUFKRDFMYDIR-UHFFFAOYSA-N 0 0 446.550 2.544 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccccc2)cc1 ZINC000000912529 555582847 /nfs/dbraw/zinc/58/28/47/555582847.db2.gz KPJOSMIWQKISRA-UHFFFAOYSA-N 0 0 425.510 2.992 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccccc2)cc1 ZINC000000916261 555583504 /nfs/dbraw/zinc/58/35/04/555583504.db2.gz YGPHGOGDZQWWSW-UHFFFAOYSA-N 0 0 425.510 2.992 50 0 IFAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCN1C(=O)c2ccccc2C1=O ZINC000009592742 555592273 /nfs/dbraw/zinc/59/22/73/555592273.db2.gz GWXWGNMDUXVENB-KRWDZBQOSA-N 0 0 446.912 2.988 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)NCCN2CCCC2)s1)c1ccc(Cl)cc1 ZINC000001025844 555604336 /nfs/dbraw/zinc/60/43/36/555604336.db2.gz UZPCHQTXULKJBZ-UHFFFAOYSA-N 0 0 427.979 2.706 50 0 IFAARN COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1csc(S(=O)(=O)N2CCCC2)c1 ZINC000001039486 555609354 /nfs/dbraw/zinc/60/93/54/555609354.db2.gz VVIMMBUGKNURAB-UHFFFAOYSA-N 0 0 438.527 2.785 50 0 IFAARN COc1ccc(CC(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 ZINC000001057382 555614801 /nfs/dbraw/zinc/61/48/01/555614801.db2.gz WMUHVUOIDSWYQV-HNNXBMFYSA-N 0 0 439.541 2.974 50 0 IFAARN CCNC(=O)C[C@H]1C(=O)N(Cc2ccc(F)cc2)C(=S)N1Cc1ccc(OC)cc1 ZINC000001069920 555620593 /nfs/dbraw/zinc/62/05/93/555620593.db2.gz HZLGFKZURIWAOO-IBGZPJMESA-N 0 0 429.517 2.858 50 0 IFAARN CCOC(=O)C1=C(Cn2ccc(C(F)(F)F)n2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000001069825 555620608 /nfs/dbraw/zinc/62/06/08/555620608.db2.gz GIOKBJPXFMUIML-MRXNPFEDSA-N 0 0 438.362 2.502 50 0 IFAARN CCNC(=O)C[C@@H]1C(=O)N(Cc2ccc(F)cc2)C(=S)N1Cc1ccc(OC)cc1 ZINC000001069922 555620623 /nfs/dbraw/zinc/62/06/23/555620623.db2.gz HZLGFKZURIWAOO-LJQANCHMSA-N 0 0 429.517 2.858 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000001070176 555620886 /nfs/dbraw/zinc/62/08/86/555620886.db2.gz BBLNLPXGVVRGQM-UHFFFAOYSA-N 0 0 444.481 2.720 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2cccs2)cc1 ZINC000001077776 555624939 /nfs/dbraw/zinc/62/49/39/555624939.db2.gz AJFBCUFBSOQSIS-INIZCTEOSA-N 0 0 431.539 2.881 50 0 IFAARN COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 ZINC000001079027 555625636 /nfs/dbraw/zinc/62/56/36/555625636.db2.gz BOLDRPCDTVLVBE-UHFFFAOYSA-N 0 0 425.514 2.527 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC000001113678 555633226 /nfs/dbraw/zinc/63/32/26/555633226.db2.gz LAXROTVMRHPCLF-UHFFFAOYSA-N 0 0 430.267 2.794 50 0 IFAARN CCOC(=O)COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1OC ZINC000001126785 555641301 /nfs/dbraw/zinc/64/13/01/555641301.db2.gz UHBSKFUYXGSFAR-NRFANRHFSA-N 0 0 439.468 2.904 50 0 IFAARN COc1ccccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl ZINC000001127236 555641648 /nfs/dbraw/zinc/64/16/48/555641648.db2.gz QTIKTVSRENMLFH-UHFFFAOYSA-N 0 0 426.860 2.936 50 0 IFAARN Cn1c(OCc2cccnc2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C ZINC000001127832 555642171 /nfs/dbraw/zinc/64/21/71/555642171.db2.gz SQTYDUXYBVGGFI-UHFFFAOYSA-N 0 0 446.294 2.763 50 0 IFAARN CCNC(=O)C[C@H]1C(=O)N(c2ccc(C)cc2)C(=O)N1Cc1ccc(OC)c(OC)c1 ZINC000001127947 555642190 /nfs/dbraw/zinc/64/21/90/555642190.db2.gz XGEAEVRDBDLDAH-SFHVURJKSA-N 0 0 425.485 2.876 50 0 IFAARN COC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000001127757 555642215 /nfs/dbraw/zinc/64/22/15/555642215.db2.gz KKLSHYUENCFMOI-UHFFFAOYSA-N 0 0 432.281 2.802 50 0 IFAARN COC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000001134486 555646376 /nfs/dbraw/zinc/64/63/76/555646376.db2.gz SFKLALXWWKEJGD-UHFFFAOYSA-N 0 0 431.251 2.660 50 0 IFAARN CN(Cc1nnc(SCC(=O)c2ccc(F)cc2)n1C)S(=O)(=O)c1ccccc1 ZINC000001141261 555650038 /nfs/dbraw/zinc/65/00/38/555650038.db2.gz YWLMICQDDKQUSQ-UHFFFAOYSA-N 0 0 434.518 2.750 50 0 IFAARN CCOC(=O)CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(Br)cc2)C1=O ZINC000001143189 555651197 /nfs/dbraw/zinc/65/11/97/555651197.db2.gz CLTWIQGJEUTDQU-FQEVSTJZSA-N 0 0 432.270 2.819 50 0 IFAARN Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(C)(=O)=O)c1 ZINC000001146992 555654096 /nfs/dbraw/zinc/65/40/96/555654096.db2.gz FZJCVUICDZKYDV-UHFFFAOYSA-N 0 0 441.509 2.923 50 0 IFAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000001148922 555655282 /nfs/dbraw/zinc/65/52/82/555655282.db2.gz TYIGRODNCTUZMW-UHFFFAOYSA-N 0 0 441.303 2.625 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 ZINC000001158568 555660457 /nfs/dbraw/zinc/66/04/57/555660457.db2.gz RTJXZOKGGUKPND-UHFFFAOYSA-N 0 0 426.469 2.966 50 0 IFAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1OC ZINC000001163670 555663209 /nfs/dbraw/zinc/66/32/09/555663209.db2.gz OLMSGQVQKYCPJM-UHFFFAOYSA-N 0 0 443.319 2.726 50 0 IFAARN CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC)cc3)[C@H](C)C2)cc1 ZINC000001169864 555665853 /nfs/dbraw/zinc/66/58/53/555665853.db2.gz XAZCFDAXXROPBI-QGZVFWFLSA-N 0 0 436.599 2.895 50 0 IFAARN CCNC(=S)N(Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000001220175 555685374 /nfs/dbraw/zinc/68/53/74/555685374.db2.gz JGMGNQNGRTYPIJ-GOSISDBHSA-N 0 0 425.510 2.502 50 0 IFAARN COC(=O)CN1C(=S)N(c2cccc(Cl)c2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 ZINC000001440158 555697374 /nfs/dbraw/zinc/69/73/74/555697374.db2.gz NIMOTXBYOJZHOZ-MRXNPFEDSA-N 0 0 449.891 2.983 50 0 IFAARN COc1ccc(CCNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000001735516 555711192 /nfs/dbraw/zinc/71/11/92/555711192.db2.gz DFZYSHXMJODPTK-UHFFFAOYSA-N 0 0 434.514 2.577 50 0 IFAARN COc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCCCn2ccnc2)cc1OC ZINC000001808202 555717803 /nfs/dbraw/zinc/71/78/03/555717803.db2.gz QIQCCDDCTIXATK-NBVRZTHBSA-N 0 0 440.525 2.939 50 0 IFAARN CCOc1c(NC(=O)c2ccc(N)cc2)cc(NC(=O)c2ccc(N)cc2)cc1C(N)=O ZINC000002027233 555728045 /nfs/dbraw/zinc/72/80/45/555728045.db2.gz NUOWJYSOKNPGHX-UHFFFAOYSA-N 0 0 433.468 2.853 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1OC ZINC000002064803 555733122 /nfs/dbraw/zinc/73/31/22/555733122.db2.gz VKFIQECAMILXDZ-UHFFFAOYSA-N 0 0 443.319 2.871 50 0 IFAARN CCOC(=O)CNC(=O)/C(=C/c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000002117577 555744988 /nfs/dbraw/zinc/74/49/88/555744988.db2.gz WSVIPPZVAMJPJY-BOPFTXTBSA-N 0 0 431.286 2.899 50 0 IFAARN COc1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1OC ZINC000002170341 555751874 /nfs/dbraw/zinc/75/18/74/555751874.db2.gz BIGPZKICJZZQME-UHFFFAOYSA-N 0 0 438.571 2.519 50 0 IFAARN CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)CN4C(=O)c5ccccc5C4=O)cc1c32 ZINC000002215759 555758647 /nfs/dbraw/zinc/75/86/47/555758647.db2.gz VNUCIIMFFMIVOR-UHFFFAOYSA-N 0 0 430.416 2.613 50 0 IFAARN CC(C)COC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 ZINC000002245993 555761948 /nfs/dbraw/zinc/76/19/48/555761948.db2.gz JGKNUOYNTZMHEK-UHFFFAOYSA-N 0 0 439.497 2.616 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)cc1)NCC(=O)OCc1ccc(Cl)cc1 ZINC000002594472 555789492 /nfs/dbraw/zinc/78/94/92/555789492.db2.gz OJARRBUCJVORDS-UHFFFAOYSA-N 0 0 439.693 2.692 50 0 IFAARN Cc1ccc(N2CCN(Cc3nc(C(=O)NCc4ccc5c(c4)OCO5)co3)CC2)cc1 ZINC000034668355 555792405 /nfs/dbraw/zinc/79/24/05/555792405.db2.gz GLNQEZLWTIVBLA-UHFFFAOYSA-N 0 0 434.496 2.964 50 0 IFAARN Cc1ccc(NC(=O)c2coc(CN3CCN(C[C@@H](O)COCC(C)C)CC3)n2)cc1F ZINC000034677461 555795650 /nfs/dbraw/zinc/79/56/50/555795650.db2.gz MZRBJCAWGGOHGB-LJQANCHMSA-N 0 0 448.539 2.526 50 0 IFAARN O=C(c1ccc(F)cc1)N(CC1CC1)C[C@@H]1CN(C[C@H](O)COc2ccccc2)CCO1 ZINC000034691658 555804696 /nfs/dbraw/zinc/80/46/96/555804696.db2.gz KQHDWDCTFQEYJI-UPVQGACJSA-N 0 0 442.531 2.819 50 0 IFAARN COc1ccc(C(=O)Cn2cnc3c2c(=O)n(CC2CC2)c(=O)n3-c2ccc(F)cc2)cc1 ZINC000034693684 555808288 /nfs/dbraw/zinc/80/82/88/555808288.db2.gz LGJZENDWEBTMAE-UHFFFAOYSA-N 0 0 448.454 2.790 50 0 IFAARN O=c1c2c(ncn2Cc2ccc(F)cc2F)n(-c2ccccc2)c(=O)n1C[C@@H]1CCCO1 ZINC000034693951 555808849 /nfs/dbraw/zinc/80/88/49/555808849.db2.gz NRDIPBPQPKJMGG-SFHVURJKSA-N 0 0 438.434 2.854 50 0 IFAARN COc1ccccc1C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000002782868 555819775 /nfs/dbraw/zinc/81/97/75/555819775.db2.gz NOHYVWQHFVQNKP-UHFFFAOYSA-N 0 0 433.302 2.821 50 0 IFAARN COCC(=O)N1CCN(c2nc3ccccc3c3nnc(-c4cccc(C)c4)n32)C[C@H]1C ZINC000034707067 555821825 /nfs/dbraw/zinc/82/18/25/555821825.db2.gz IRDUOIOZDBVNBE-QGZVFWFLSA-N 0 0 430.512 2.936 50 0 IFAARN CCOc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000002812434 555827571 /nfs/dbraw/zinc/82/75/71/555827571.db2.gz AZFCFDQQFRCOPY-UHFFFAOYSA-N 0 0 436.530 2.822 50 0 IFAARN COc1ccc(-n2nnnc2SCCSc2nnnn2-c2ccc(OC)cc2)cc1 ZINC000002812628 555827847 /nfs/dbraw/zinc/82/78/47/555827847.db2.gz IJDRRKPGMJKMFV-UHFFFAOYSA-N 0 0 442.530 2.540 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(I)c2)cc1 ZINC000002849267 555838630 /nfs/dbraw/zinc/83/86/30/555838630.db2.gz PDQOODODCNIKOB-UHFFFAOYSA-N 0 0 444.294 2.859 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1 ZINC000002854567 555841125 /nfs/dbraw/zinc/84/11/25/555841125.db2.gz PQCNKBGDMYMXOV-LLVKDONJSA-N 0 0 430.267 2.597 50 0 IFAARN COC(=O)c1cc(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)ccc1Cl ZINC000002856078 555841680 /nfs/dbraw/zinc/84/16/80/555841680.db2.gz PTSNVALSTMYJII-UHFFFAOYSA-N 0 0 426.878 2.540 50 0 IFAARN CCc1c(C)sc(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)c1C(=O)OC ZINC000002858026 555842709 /nfs/dbraw/zinc/84/27/09/555842709.db2.gz PTLFUFRCSNEMEO-UHFFFAOYSA-N 0 0 427.573 2.540 50 0 IFAARN CCN(CC)C(=O)c1sc(NC(=S)NCc2cc(C)n(C)n2)c(C(=O)OC)c1C ZINC000002859060 555843230 /nfs/dbraw/zinc/84/32/30/555843230.db2.gz KZLZODHLLUDRBI-UHFFFAOYSA-N 0 0 437.591 2.854 50 0 IFAARN Cc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)cc1 ZINC000002865354 555846727 /nfs/dbraw/zinc/84/67/27/555846727.db2.gz QBRWWSNBJRJZFC-CYBMUJFWSA-N 0 0 429.523 3.000 50 0 IFAARN CCS(=O)(=O)n1nc(NCc2cccc(OC)c2)nc1NCc1cccc(OC)c1 ZINC000002882320 555856221 /nfs/dbraw/zinc/85/62/21/555856221.db2.gz VNHNLDOLDGQVNS-UHFFFAOYSA-N 0 0 431.518 2.717 50 0 IFAARN COc1ccc(CCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000002982001 555872563 /nfs/dbraw/zinc/87/25/63/555872563.db2.gz MYFZNPZWESDALF-UHFFFAOYSA-N 0 0 441.347 2.583 50 0 IFAARN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 ZINC000003000279 555877555 /nfs/dbraw/zinc/87/75/55/555877555.db2.gz PPQVCAJBSJSYRP-UHFFFAOYSA-N 0 0 437.543 2.654 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000010547426 555881793 /nfs/dbraw/zinc/88/17/93/555881793.db2.gz OXEOCPOYEDSKKL-SFHVURJKSA-N 0 0 437.949 2.782 50 0 IFAARN CCOC(=O)[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@]1(C)O)OCO3 ZINC000003053226 555883026 /nfs/dbraw/zinc/88/30/26/555883026.db2.gz LXOGFILEDJYPBT-JTAQYXEDSA-N 0 0 446.452 2.853 50 0 IFAARN C[C@H](C(=O)NC1CCCCC1)N1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2C ZINC000034793056 555916845 /nfs/dbraw/zinc/91/68/45/555916845.db2.gz LXKPPTAVUKFZOZ-YJYMSZOUSA-N 0 0 430.936 2.970 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@]2(c2ccccc2)NN1 ZINC000034911072 555923346 /nfs/dbraw/zinc/92/33/46/555923346.db2.gz DBQSJBLAPSLFFT-YWZLYKJASA-N 0 0 431.370 2.613 50 0 IFAARN CCc1ccc([C@@H](C)NC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000034857662 555924575 /nfs/dbraw/zinc/92/45/75/555924575.db2.gz MACOFKQOEDUXRW-LJQANCHMSA-N 0 0 429.586 2.574 50 0 IFAARN COCCCNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003463419 555936018 /nfs/dbraw/zinc/93/60/18/555936018.db2.gz OBYICCKVTAKRDD-UHFFFAOYSA-N 0 0 428.913 2.823 50 0 IFAARN COc1ccc([C@H]2N(C(=O)CN3CCCCC3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000003640891 555943423 /nfs/dbraw/zinc/94/34/23/555943423.db2.gz KTCAZEPAQXCZBX-QHCPKHFHSA-N 0 0 443.569 2.713 50 0 IFAARN COc1ccc(N(CC(=O)NC[C@H](O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000003664930 555944798 /nfs/dbraw/zinc/94/47/98/555944798.db2.gz UDGBWYODEKFTBJ-QFIPXVFZSA-N 0 0 440.521 2.740 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](C(=O)NCc1cccnc1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004057632 555955613 /nfs/dbraw/zinc/95/56/13/555955613.db2.gz WXAKPQFTPJVJMF-FGZHOGPDSA-N 0 0 432.480 2.721 50 0 IFAARN Cc1cc(CNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)ccc1F ZINC000010552494 555975979 /nfs/dbraw/zinc/97/59/79/555975979.db2.gz PIZVRJMKVNYQKR-UHFFFAOYSA-N 0 0 429.311 2.881 50 0 IFAARN COc1ccc(CCC2CCN([C@@H]3CC(=O)N(c4cc(C)on4)C3=O)CC2)cc1OC ZINC000004738732 556009232 /nfs/dbraw/zinc/00/92/32/556009232.db2.gz GDHWNNYMUAUJEG-GOSISDBHSA-N 0 0 427.501 2.977 50 0 IFAARN CC(C)[C@@H](NC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O ZINC000005062882 556030992 /nfs/dbraw/zinc/03/09/92/556030992.db2.gz ZAPMIDFJTRZCNZ-VQTJNVASSA-N 0 0 443.569 2.841 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)OC ZINC000005706733 556063547 /nfs/dbraw/zinc/06/35/47/556063547.db2.gz YAMQCWSSFXUFGP-DQLDELGASA-N 0 0 442.512 2.934 50 0 IFAARN O=C(COC(=O)c1sccc1S(=O)(=O)NC1CC1)Nc1ccc(F)c(Cl)c1 ZINC000010561474 556068862 /nfs/dbraw/zinc/06/88/62/556068862.db2.gz VLNZGZOKEIUBPO-UHFFFAOYSA-N 0 0 432.882 2.777 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc4ccccc4oc3=O)CC2)cc1 ZINC000010565646 556070975 /nfs/dbraw/zinc/07/09/75/556070975.db2.gz UUJLYIKLFRYXNQ-UHFFFAOYSA-N 0 0 426.494 2.685 50 0 IFAARN COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000006348654 556085569 /nfs/dbraw/zinc/08/55/69/556085569.db2.gz KUUJDYBZJUESGB-UHFFFAOYSA-N 0 0 427.482 2.933 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccn3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000006378567 556085867 /nfs/dbraw/zinc/08/58/67/556085867.db2.gz QBTITTZUJCLZRL-WPNIOXTASA-N 0 0 439.924 2.847 50 0 IFAARN CCOC(=O)CCCCC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1 ZINC000006546083 556093879 /nfs/dbraw/zinc/09/38/79/556093879.db2.gz MVCSPAMNKKUAKT-UHFFFAOYSA-N 0 0 442.424 2.827 50 0 IFAARN CCS(=O)(=O)Oc1cc(CN(C[C@H]2CCCO2)C(=O)NC(C)(C)C)ccc1OC ZINC000006801055 556104550 /nfs/dbraw/zinc/10/45/50/556104550.db2.gz ALFIKGPCILCKEX-MRXNPFEDSA-N 0 0 428.551 2.913 50 0 IFAARN COCCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000006904465 556108907 /nfs/dbraw/zinc/10/89/07/556108907.db2.gz BFWJKTKUPYNIBA-UHFFFAOYSA-N 0 0 426.922 2.697 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccc(C)cc2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000002693771 556120844 /nfs/dbraw/zinc/12/08/44/556120844.db2.gz DBIBABURPDLQRO-MOPGFXCFSA-N 0 0 445.566 2.717 50 0 IFAARN O=C1NC2(CCCCCC2)C(=O)N1CCS(=O)(=O)Oc1ccc(Br)cc1 ZINC000002694538 556121155 /nfs/dbraw/zinc/12/11/55/556121155.db2.gz RUAVZLOYLULTNT-UHFFFAOYSA-N 0 0 445.335 2.803 50 0 IFAARN Cc1c(I)cnn1CCC(=O)N[C@H](Cn1cccn1)C(C)(C)C ZINC000002778810 556141348 /nfs/dbraw/zinc/14/13/48/556141348.db2.gz FCNUXHXQKKEHJP-CQSZACIVSA-N 0 0 429.306 2.614 50 0 IFAARN O=C(NCc1ccccc1OC(F)F)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000010593041 556150258 /nfs/dbraw/zinc/15/02/58/556150258.db2.gz NTOQDAXKOBPLIZ-UHFFFAOYSA-N 0 0 443.447 2.643 50 0 IFAARN Cc1ncc(CO)c2cc(C(=O)Nc3ccc(I)cc3)c(=N)oc12 ZINC000002955304 556150970 /nfs/dbraw/zinc/15/09/70/556150970.db2.gz UERKTNLRIXQCTQ-UHFFFAOYSA-N 0 0 435.221 2.965 50 0 IFAARN CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCC(C(N)=O)CC3)c2)cc1 ZINC000003022164 556157084 /nfs/dbraw/zinc/15/70/84/556157084.db2.gz VLRXJEQIIUKPPO-UHFFFAOYSA-N 0 0 433.505 2.526 50 0 IFAARN CC(=O)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 ZINC000003007750 556157112 /nfs/dbraw/zinc/15/71/12/556157112.db2.gz VFLPFCYMRWCDBM-UHFFFAOYSA-N 0 0 433.464 2.524 50 0 IFAARN C[C@H](CCc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000003007721 556157116 /nfs/dbraw/zinc/15/71/16/556157116.db2.gz KRTNILSITZONBB-LJQANCHMSA-N 0 0 447.535 2.820 50 0 IFAARN CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc(OC)c3)CC2=O)cc1 ZINC000008383905 556159706 /nfs/dbraw/zinc/15/97/06/556159706.db2.gz KQAXOMJKMAJWFS-KRWDZBQOSA-N 0 0 425.437 2.651 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000008399143 556165293 /nfs/dbraw/zinc/16/52/93/556165293.db2.gz AOLOQUAMUKJSGU-BXBHGGAKSA-N 0 0 428.510 2.999 50 0 IFAARN CCOCCCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl ZINC000008430600 556170541 /nfs/dbraw/zinc/17/05/41/556170541.db2.gz BNDMTUBKLRXDQG-UHFFFAOYSA-N 0 0 440.949 2.740 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008453237 556184097 /nfs/dbraw/zinc/18/40/97/556184097.db2.gz ALYDLEWQXZEAOS-GTENMVSRSA-N 0 0 426.444 2.686 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@H]1c1cccs1 ZINC000008575303 556187515 /nfs/dbraw/zinc/18/75/15/556187515.db2.gz PIDTVBMVDNBPOI-FYXHJSOBSA-N 0 0 426.519 2.565 50 0 IFAARN CCNC(=O)C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccc(OC)c(OC)c1 ZINC000008599517 556190473 /nfs/dbraw/zinc/19/04/73/556190473.db2.gz ZGZDEXHUISCILE-QGZVFWFLSA-N 0 0 429.448 2.707 50 0 IFAARN Cc1cccc(NC(=O)Cn2c3ccc(S(=O)(=O)NC4CCCC4)cc3oc2=O)c1 ZINC000008604824 556191608 /nfs/dbraw/zinc/19/16/08/556191608.db2.gz PHQOOBJOYNTLCU-UHFFFAOYSA-N 0 0 429.498 2.763 50 0 IFAARN Cc1nn(C[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1C ZINC000008714475 556201716 /nfs/dbraw/zinc/20/17/16/556201716.db2.gz DOHALUOMIJAMLS-CQSZACIVSA-N 0 0 438.981 2.631 50 0 IFAARN COc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2OC)CC1 ZINC000008722882 556203689 /nfs/dbraw/zinc/20/36/89/556203689.db2.gz UEWKPCZAPGTTGO-QZTJIDSGSA-N 0 0 442.512 2.609 50 0 IFAARN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000008815750 556217066 /nfs/dbraw/zinc/21/70/66/556217066.db2.gz DQDHQTWVXNLCBE-CXUHLZMHSA-N 0 0 425.441 2.552 50 0 IFAARN COc1ccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)c(OC)c1 ZINC000008828721 556224866 /nfs/dbraw/zinc/22/48/66/556224866.db2.gz OSOPWZGTSBSETQ-UHFFFAOYSA-N 0 0 430.592 2.652 50 0 IFAARN CC(C)N(C(=O)CO[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21)c1ccccc1 ZINC000008833985 556225360 /nfs/dbraw/zinc/22/53/60/556225360.db2.gz NJHYYAKMLCLPQN-QNDFHXLGSA-N 0 0 435.517 2.841 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2CCc2ccccc2)cc1 ZINC000008837265 556225995 /nfs/dbraw/zinc/22/59/95/556225995.db2.gz DORDTVSEOQQPKD-IBGZPJMESA-N 0 0 439.537 2.862 50 0 IFAARN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)c1ccc(Cl)cc1Cl ZINC000008927214 556234779 /nfs/dbraw/zinc/23/47/79/556234779.db2.gz PPGPITSYLMKDDI-ZDUSSCGKSA-N 0 0 435.263 2.913 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccccc1F ZINC000008964956 556237191 /nfs/dbraw/zinc/23/71/91/556237191.db2.gz JISMPRASKKKLGF-QIPHDZALSA-N 0 0 428.510 2.999 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009134696 556249203 /nfs/dbraw/zinc/24/92/03/556249203.db2.gz BRJYKGSGBWTBBF-OAQYLSRUSA-N 0 0 444.553 2.795 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009134694 556249278 /nfs/dbraw/zinc/24/92/78/556249278.db2.gz BRJYKGSGBWTBBF-NRFANRHFSA-N 0 0 444.553 2.795 50 0 IFAARN O=C(NCCc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009184413 556250204 /nfs/dbraw/zinc/25/02/04/556250204.db2.gz LOYPQKMBMXRXOO-HNNXBMFYSA-N 0 0 448.545 2.590 50 0 IFAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)CC2=O)cc1 ZINC000009191077 556253485 /nfs/dbraw/zinc/25/34/85/556253485.db2.gz CTWMYRUWOPTFLB-SFHVURJKSA-N 0 0 449.507 2.954 50 0 IFAARN Cc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccc3c(c2)OCO3)n1C ZINC000009260587 556268306 /nfs/dbraw/zinc/26/83/06/556268306.db2.gz ZSHNJAHBMPEGGW-UHFFFAOYSA-N 0 0 439.497 2.513 50 0 IFAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccnc4)c(=O)n32)cc1 ZINC000009271771 556271101 /nfs/dbraw/zinc/27/11/01/556271101.db2.gz QTVJYKHBVBHLOA-JCAJYURWSA-N 0 0 449.532 2.590 50 0 IFAARN CCOc1ccc(N2C[C@H](C(=O)Nc3cc(C(=O)OC)ccc3C(=O)OC)CC2=O)cc1 ZINC000009288730 556273415 /nfs/dbraw/zinc/27/34/15/556273415.db2.gz STPAJHYGXDXKPK-OAHLLOKOSA-N 0 0 440.452 2.650 50 0 IFAARN CCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000009288705 556273478 /nfs/dbraw/zinc/27/34/78/556273478.db2.gz RBQOKRHOIGYNKU-HNNXBMFYSA-N 0 0 433.505 2.896 50 0 IFAARN CCc1ccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)cc1 ZINC000009290087 556274051 /nfs/dbraw/zinc/27/40/51/556274051.db2.gz CCBKPSKPEXJLAM-UHFFFAOYSA-N 0 0 429.498 2.768 50 0 IFAARN CC[C@]1(c2ccc(NC(=O)C(=O)NCCc3c[nH]c4ccccc34)cc2)CCC(=O)NC1=O ZINC000013683408 556274632 /nfs/dbraw/zinc/27/46/32/556274632.db2.gz SATIDKZYQOKVDB-RUZDIDTESA-N 0 0 446.507 2.550 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000009303629 556276168 /nfs/dbraw/zinc/27/61/68/556276168.db2.gz IAHGMVZUNGMGSZ-AWEZNQCLSA-N 0 0 428.308 2.846 50 0 IFAARN COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)c1 ZINC000009306676 556276820 /nfs/dbraw/zinc/27/68/20/556276820.db2.gz OLRNAFPWVCOWQE-MRXNPFEDSA-N 0 0 431.514 2.693 50 0 IFAARN CC(C)CN1C(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2OCc2ccccc2)C1=O ZINC000013688112 556277749 /nfs/dbraw/zinc/27/77/49/556277749.db2.gz JKJMZYLQRSWSPE-UHFFFAOYSA-N 0 0 445.541 2.941 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)Cn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)c1 ZINC000009321149 556280698 /nfs/dbraw/zinc/28/06/98/556280698.db2.gz PYPHSZSCRAXJAO-UHFFFAOYSA-N 0 0 446.463 2.987 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)ccn3n2)cc1 ZINC000009321214 556280984 /nfs/dbraw/zinc/28/09/84/556280984.db2.gz FQNOTJIKCWIRIY-UHFFFAOYSA-N 0 0 446.463 2.607 50 0 IFAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)ccn3n2)cc1 ZINC000009321200 556281015 /nfs/dbraw/zinc/28/10/15/556281015.db2.gz UNGRWVCBUNZYMT-UHFFFAOYSA-N 0 0 432.436 2.929 50 0 IFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccccc4)ccn3n2)cc1OC ZINC000009327548 556282048 /nfs/dbraw/zinc/28/20/48/556282048.db2.gz VVAIURAEVKTIIX-UHFFFAOYSA-N 0 0 432.480 2.539 50 0 IFAARN CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000009392290 556287529 /nfs/dbraw/zinc/28/75/29/556287529.db2.gz QOKYVFFCKGDTHG-LJQANCHMSA-N 0 0 437.543 2.568 50 0 IFAARN O=C(C1CC1)N1CC2(c3ccccc3)CN(C(=O)C3CC3)CC(c3ccccc3)(C1)C2=O ZINC000013720595 556289654 /nfs/dbraw/zinc/28/96/54/556289654.db2.gz BBUARZJSKPYLOL-UHFFFAOYSA-N 0 0 428.532 2.936 50 0 IFAARN O=S1(=O)C[C@H]2N=C(SCCOc3ccccc3)N(c3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000013731877 556296080 /nfs/dbraw/zinc/29/60/80/556296080.db2.gz MINDMHTZAPEIRD-IAGOWNOFSA-N 0 0 432.523 2.569 50 0 IFAARN Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c1 ZINC000009525914 556296724 /nfs/dbraw/zinc/29/67/24/556296724.db2.gz MJLVZOFWBOGLQW-INIZCTEOSA-N 0 0 443.887 2.632 50 0 IFAARN O=S(=O)(c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1)N1CCOCC1 ZINC000013752559 556299631 /nfs/dbraw/zinc/29/96/31/556299631.db2.gz VXEHZFSLHACBFW-UHFFFAOYSA-N 0 0 425.963 2.848 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3SCC(N)=O)cc2)CC1 ZINC000032741086 556302501 /nfs/dbraw/zinc/30/25/01/556302501.db2.gz IWWRNLPXGDAFGZ-UHFFFAOYSA-N 0 0 447.582 2.937 50 0 IFAARN COc1cccc(-c2noc(CN3C(=O)N[C@](C)(Cc4ccc5c(c4)OCO5)C3=O)n2)c1 ZINC000032731804 556305290 /nfs/dbraw/zinc/30/52/90/556305290.db2.gz LDVLECYUDGLOOZ-JOCHJYFZSA-N 0 0 436.424 2.527 50 0 IFAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCC[C@H](C(=O)OCC)C1 ZINC000013773567 556306031 /nfs/dbraw/zinc/30/60/31/556306031.db2.gz HOMVOLFINOTHME-AWEZNQCLSA-N 0 0 431.489 2.567 50 0 IFAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(Br)cc3C)C2=O)cc1 ZINC000032736636 556306630 /nfs/dbraw/zinc/30/66/30/556306630.db2.gz VJBQFJFAJPHBBP-UHFFFAOYSA-N 0 0 446.257 2.700 50 0 IFAARN CN1CC(=O)N(CCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000032738563 556308465 /nfs/dbraw/zinc/30/84/65/556308465.db2.gz JHIIQRUKIWHIBD-UHFFFAOYSA-N 0 0 434.540 2.594 50 0 IFAARN C[C@H]1CCC[C@H](C)N1C(=O)Cn1c2ccc(S(=O)(=O)N3CCCCC3)cc2oc1=O ZINC000009830602 556311313 /nfs/dbraw/zinc/31/13/13/556311313.db2.gz ODSGEODXBPVPEL-HOTGVXAUSA-N 0 0 435.546 2.559 50 0 IFAARN CCc1cccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCCC4)cc3oc2=O)c1 ZINC000009830617 556311351 /nfs/dbraw/zinc/31/13/51/556311351.db2.gz AHOMIFKSWXXSEJ-UHFFFAOYSA-N 0 0 443.525 2.970 50 0 IFAARN CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(F)cc1 ZINC000032744967 556314530 /nfs/dbraw/zinc/31/45/30/556314530.db2.gz OZYIMSHRKWNGHA-OAQYLSRUSA-N 0 0 433.549 2.889 50 0 IFAARN COC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)Nc1ccc(C)cc1Br ZINC000032747395 556316004 /nfs/dbraw/zinc/31/60/04/556316004.db2.gz LJUULJNEUXLRRO-UHFFFAOYSA-N 0 0 426.292 2.667 50 0 IFAARN O=C(NCCSCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000032747901 556316601 /nfs/dbraw/zinc/31/66/01/556316601.db2.gz DFFLXXJSBDORHI-OAHLLOKOSA-N 0 0 426.535 2.869 50 0 IFAARN CCOc1cc2c(cc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1)O[C@@H](C)C2 ZINC000032748139 556316940 /nfs/dbraw/zinc/31/69/40/556316940.db2.gz RRMLMNFMVQUANM-JKSUJKDBSA-N 0 0 432.542 2.700 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CCOC)c1 ZINC000009934201 556317805 /nfs/dbraw/zinc/31/78/05/556317805.db2.gz BTHLVNQQCCDHNE-LJQANCHMSA-N 0 0 439.468 2.676 50 0 IFAARN COc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC ZINC000013841205 556317923 /nfs/dbraw/zinc/31/79/23/556317923.db2.gz DHYHUAPETYXUMX-UHFFFAOYSA-N 0 0 439.534 2.546 50 0 IFAARN C[C@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013844297 556318434 /nfs/dbraw/zinc/31/84/34/556318434.db2.gz ZNJXOJWEXGNUGB-RGFVMQALSA-N 0 0 427.570 2.699 50 0 IFAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000013844469 556318478 /nfs/dbraw/zinc/31/84/78/556318478.db2.gz XBRVTXXFOYONKV-COKXLDBZSA-N 0 0 430.482 2.525 50 0 IFAARN COc1ccccc1CNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000013843965 556318514 /nfs/dbraw/zinc/31/85/14/556318514.db2.gz JUBWFNLEOXCVFF-OAQYLSRUSA-N 0 0 449.551 2.912 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccncc2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000009969658 556318937 /nfs/dbraw/zinc/31/89/37/556318937.db2.gz OTRGFZUHZPQMTJ-UHFFFAOYSA-N 0 0 433.511 2.716 50 0 IFAARN NS(=O)(=O)Nc1cccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)c1 ZINC000032754044 556323190 /nfs/dbraw/zinc/32/31/90/556323190.db2.gz KXLCTJHEJBTVHG-UHFFFAOYSA-N 0 0 433.493 2.842 50 0 IFAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032755444 556324676 /nfs/dbraw/zinc/32/46/76/556324676.db2.gz VGYDYIRCBMYXHK-HNNXBMFYSA-N 0 0 433.555 2.779 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@H]2Cc3cc(Cl)ccc3O2)NC(=O)N[C@@H]1c1ccco1 ZINC000032776520 556326462 /nfs/dbraw/zinc/32/64/62/556326462.db2.gz INWAIPXFPOTPSH-SJLPKXTDSA-N 0 0 446.843 2.651 50 0 IFAARN CCn1c(COC(=O)c2ccc(C(C)=O)s2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000032776832 556326961 /nfs/dbraw/zinc/32/69/61/556326961.db2.gz YTHSYAAVQCEVPR-UHFFFAOYSA-N 0 0 435.527 2.928 50 0 IFAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2N(C)C)cc1 ZINC000013893541 556327856 /nfs/dbraw/zinc/32/78/56/556327856.db2.gz SKSLYUVPTZQWPF-GOSISDBHSA-N 0 0 428.514 2.511 50 0 IFAARN CC(C)OCCCNC(=O)CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12 ZINC000010273461 556328681 /nfs/dbraw/zinc/32/86/81/556328681.db2.gz SZDALLFUBPNHTN-UHFFFAOYSA-N 0 0 431.924 2.788 50 0 IFAARN Cc1c(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000013896569 556329583 /nfs/dbraw/zinc/32/95/83/556329583.db2.gz ZACCMWDSWPDSJN-KRWDZBQOSA-N 0 0 442.541 2.586 50 0 IFAARN COc1cccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc(OC)c(OC)c2)n2nnnc2N3)c1 ZINC000010296928 556329713 /nfs/dbraw/zinc/32/97/13/556329713.db2.gz ATJPIKJRFUIOEG-LJQANCHMSA-N 0 0 433.428 2.556 50 0 IFAARN COc1cccc(-c2n[nH]c(=O)c3c2[C@H](c2cc(OC)ccc2OC)n2nnnc2N3)c1 ZINC000010296954 556330074 /nfs/dbraw/zinc/33/00/74/556330074.db2.gz LUBYBAVZDJQUBH-IBGZPJMESA-N 0 0 433.428 2.556 50 0 IFAARN Cc1ccn2c(=O)cc(COc3ccc(CCO)cc3-n3nc4ccccc4n3)nc2c1 ZINC000032765003 556332576 /nfs/dbraw/zinc/33/25/76/556332576.db2.gz UOININGASQOKMG-UHFFFAOYSA-N 0 0 427.464 2.851 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032768992 556333479 /nfs/dbraw/zinc/33/34/79/556333479.db2.gz YBLAQRMVQWTURI-UHFFFAOYSA-N 0 0 446.429 2.825 50 0 IFAARN COc1ccc([C@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c(OC)c1 ZINC000032774351 556336618 /nfs/dbraw/zinc/33/66/18/556336618.db2.gz FBJHJQIPOFUITH-HXUWFJFHSA-N 0 0 429.492 2.888 50 0 IFAARN CCn1c(SCC(=O)N2CCCCC2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000011404462 556341077 /nfs/dbraw/zinc/34/10/77/556341077.db2.gz NZSMMOIGOPVIPJ-HNNXBMFYSA-N 0 0 431.562 2.902 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1OC ZINC000013465375 556342290 /nfs/dbraw/zinc/34/22/90/556342290.db2.gz XIASDSHVJHSMHQ-UHFFFAOYSA-N 0 0 425.510 2.905 50 0 IFAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)N1CCN(C=O)CC1 ZINC000013945773 556343007 /nfs/dbraw/zinc/34/30/07/556343007.db2.gz QJXDMLNEZFTLQA-DEOSSOPVSA-N 0 0 430.508 2.712 50 0 IFAARN COCCCn1c(CN(C)Cc2c(C)nn(C)c2C)cnc1S(=O)(=O)C1CCCC1 ZINC000011664872 556345596 /nfs/dbraw/zinc/34/55/96/556345596.db2.gz CJTLLUQPBWMAIC-UHFFFAOYSA-N 0 0 437.610 2.618 50 0 IFAARN O=C(CCn1cnc2ccccc21)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000032781090 556346731 /nfs/dbraw/zinc/34/67/31/556346731.db2.gz APYUZXDSPVMPPC-UHFFFAOYSA-N 0 0 426.420 2.906 50 0 IFAARN O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000032781567 556349622 /nfs/dbraw/zinc/34/96/22/556349622.db2.gz KLURMLCPJAFJSZ-HSZRJFAPSA-N 0 0 446.551 2.926 50 0 IFAARN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cccc3cnccc32)cc1 ZINC000011771809 556350208 /nfs/dbraw/zinc/35/02/08/556350208.db2.gz YTCRUJAFXMKRHY-XMMPIXPASA-N 0 0 446.551 2.983 50 0 IFAARN O=C(CCCc1cccs1)N1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000011787056 556353784 /nfs/dbraw/zinc/35/37/84/556353784.db2.gz JHAHYLHZJCIVHC-UHFFFAOYSA-N 0 0 441.532 2.816 50 0 IFAARN O=C([C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCCC1 ZINC000014014250 556355168 /nfs/dbraw/zinc/35/51/68/556355168.db2.gz SNTKPOCSXGTANN-OAQYLSRUSA-N 0 0 449.523 2.635 50 0 IFAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)o1 ZINC000014014102 556355213 /nfs/dbraw/zinc/35/52/13/556355213.db2.gz XXHLSKXVEFJNAZ-HUUCEWRRSA-N 0 0 444.513 2.543 50 0 IFAARN CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)NC(C)(C)CO)c21 ZINC000011790045 556355426 /nfs/dbraw/zinc/35/54/26/556355426.db2.gz XBRDTGXSSKLJMU-UHFFFAOYSA-N 0 0 430.530 2.666 50 0 IFAARN Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1ccc(F)c(F)c1)CC2 ZINC000011813501 556356782 /nfs/dbraw/zinc/35/67/82/556356782.db2.gz LIPVOHATTJPYSZ-NBUZRDOWSA-N 0 0 430.455 2.957 50 0 IFAARN COCCCN1C(=O)C[C@@](CC(=O)NCc2ccc(OC)cc2)(c2ccccc2C)C1=O ZINC000011814335 556357594 /nfs/dbraw/zinc/35/75/94/556357594.db2.gz SEYGYDNGULNPDN-VWLOTQADSA-N 0 0 438.524 2.743 50 0 IFAARN O=c1ccc(Br)cn1CN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000022933764 556358900 /nfs/dbraw/zinc/35/89/00/556358900.db2.gz JUDCIDYEMKPUBT-UHFFFAOYSA-N 0 0 426.742 2.918 50 0 IFAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(N2CCOCC2)ccn1 ZINC000014068556 556359905 /nfs/dbraw/zinc/35/99/05/556359905.db2.gz KYFWPXLCKPYRMQ-UHFFFAOYSA-N 0 0 425.514 2.617 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccnn1Cc1cccs1 ZINC000014068581 556359978 /nfs/dbraw/zinc/35/99/78/556359978.db2.gz NBWWVQDZCCHPKH-UHFFFAOYSA-N 0 0 446.554 2.575 50 0 IFAARN CC(=O)Nc1ccc(SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000014070905 556361071 /nfs/dbraw/zinc/36/10/71/556361071.db2.gz XXLNVSCMLOCUHN-UHFFFAOYSA-N 0 0 427.526 2.810 50 0 IFAARN CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2n[nH]c4c2CCC4)C3)cc1 ZINC000011839189 556363884 /nfs/dbraw/zinc/36/38/84/556363884.db2.gz HUHHMZYANNYAIM-MRXNPFEDSA-N 0 0 437.521 2.702 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)NCCNC(=O)c3ccc(C)c(F)c3)CC2)c(F)c1 ZINC000032803074 556365444 /nfs/dbraw/zinc/36/54/44/556365444.db2.gz ANJSQPKTPUZDOX-UHFFFAOYSA-N 0 0 444.482 2.737 50 0 IFAARN CC(=O)c1ccc(N2CCN(C(=O)NC3CCN(C(=O)c4ccco4)CC3)CC2)c(F)c1 ZINC000032802785 556365465 /nfs/dbraw/zinc/36/54/65/556365465.db2.gz ALARLQCWVHEHTJ-UHFFFAOYSA-N 0 0 442.491 2.758 50 0 IFAARN C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000014094544 556366494 /nfs/dbraw/zinc/36/64/94/556366494.db2.gz AIJQAVQLMYXYOL-MRXNPFEDSA-N 0 0 428.492 2.782 50 0 IFAARN CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC000022927860 556367923 /nfs/dbraw/zinc/36/79/23/556367923.db2.gz VKGWXURBGFCIRS-UHFFFAOYSA-N 0 0 443.636 2.928 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1cc(NC(=O)c2ccccn2)cn1)CC3 ZINC000011869356 556368635 /nfs/dbraw/zinc/36/86/35/556368635.db2.gz PTSKEEFGYARZBL-UHFFFAOYSA-N 0 0 430.468 2.605 50 0 IFAARN COC(=O)C1CCN(C(=O)C2CCN(c3nc(C)c4ccc(OC)cc4n3)CC2)CC1 ZINC000011871937 556368991 /nfs/dbraw/zinc/36/89/91/556368991.db2.gz LQPYAJCGARIQGW-UHFFFAOYSA-N 0 0 426.517 2.575 50 0 IFAARN NS(=O)(=O)c1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000014119303 556371874 /nfs/dbraw/zinc/37/18/74/556371874.db2.gz MBUXRJFDGNGOPH-UHFFFAOYSA-N 0 0 433.493 2.512 50 0 IFAARN O=C(Cc1ccccc1)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000014121345 556372214 /nfs/dbraw/zinc/37/22/14/556372214.db2.gz KWFMWMGAKHXODZ-UHFFFAOYSA-N 0 0 429.542 2.549 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 ZINC000014125850 556373429 /nfs/dbraw/zinc/37/34/29/556373429.db2.gz ZQBFRVOZRRAAJI-UHFFFAOYSA-N 0 0 430.936 2.924 50 0 IFAARN COc1ccc2cc(CN(C)C(=O)CSc3nnnn3C[C@H]3CCCO3)ccc2c1 ZINC000014129396 556374434 /nfs/dbraw/zinc/37/44/34/556374434.db2.gz GUZTTYZGTHGVCZ-LJQANCHMSA-N 0 0 427.530 2.765 50 0 IFAARN O=C([C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)C(=O)C1 ZINC000011934170 556377481 /nfs/dbraw/zinc/37/74/81/556377481.db2.gz MVUCUHVKXWJKMV-SFHVURJKSA-N 0 0 425.916 2.954 50 0 IFAARN CC1CCC2(CC1)NC(=O)N(CCC(=O)NC(=O)NC13CC4CC(CC(C4)C1)C3)C2=O ZINC000014163820 556379051 /nfs/dbraw/zinc/37/90/51/556379051.db2.gz DYHVTCUIFFSRQB-UHFFFAOYSA-N 0 0 430.549 2.672 50 0 IFAARN CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H](Cc3ccccc3)n3cnnn3)n2)cc1 ZINC000014180331 556382257 /nfs/dbraw/zinc/38/22/57/556382257.db2.gz VPAXTSKYISBHKH-HXUWFJFHSA-N 0 0 447.524 2.855 50 0 IFAARN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CCS3)N2CCOCC2)cc1 ZINC000014183864 556383670 /nfs/dbraw/zinc/38/36/70/556383670.db2.gz SNRDRZASXFXCOK-HXUWFJFHSA-N 0 0 441.553 2.933 50 0 IFAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000014184633 556384454 /nfs/dbraw/zinc/38/44/54/556384454.db2.gz KZCDXMVLYSBDBD-OPAMFIHVSA-N 0 0 441.484 2.709 50 0 IFAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NC[C@@H]1COc2ccccc2O1 ZINC000014184527 556384534 /nfs/dbraw/zinc/38/45/34/556384534.db2.gz FETDURVNGOREGB-CQSZACIVSA-N 0 0 425.510 2.683 50 0 IFAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000014184636 556384759 /nfs/dbraw/zinc/38/47/59/556384759.db2.gz KZCDXMVLYSBDBD-AOMKIAJQSA-N 0 0 441.484 2.709 50 0 IFAARN C[C@@H](OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(N)nc(N(C)C)n1 ZINC000014184785 556384785 /nfs/dbraw/zinc/38/47/85/556384785.db2.gz KBAYLCGLAKFBDU-CQSZACIVSA-N 0 0 430.472 2.686 50 0 IFAARN O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000012021516 556386958 /nfs/dbraw/zinc/38/69/58/556386958.db2.gz IUSZZTHITAGKBG-UHFFFAOYSA-N 0 0 427.867 2.604 50 0 IFAARN Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(C)[nH]1 ZINC000014196844 556388537 /nfs/dbraw/zinc/38/85/37/556388537.db2.gz BYHHYSYNEBBKNS-UHFFFAOYSA-N 0 0 429.464 2.840 50 0 IFAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O ZINC000014197455 556389122 /nfs/dbraw/zinc/38/91/22/556389122.db2.gz TUGRZYGRCBWLTR-JOCHJYFZSA-N 0 0 440.887 2.873 50 0 IFAARN COCCCN1C(=O)C[C@@](CC(=O)N[C@H](C)Cc2ccsc2)(c2ccccc2)C1=O ZINC000012041080 556391051 /nfs/dbraw/zinc/39/10/51/556391051.db2.gz NCAFGUAKUPOHFQ-HXOBKFHXSA-N 0 0 428.554 2.919 50 0 IFAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)NCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000014201446 556391996 /nfs/dbraw/zinc/39/19/96/556391996.db2.gz PBKMDZGFKCDNAF-UHFFFAOYSA-N 0 0 436.251 2.614 50 0 IFAARN CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2cnn4cccnc24)C3)cc1 ZINC000012049548 556392133 /nfs/dbraw/zinc/39/21/33/556392133.db2.gz CAOPDKMWZGCPRZ-KRWDZBQOSA-N 0 0 448.504 2.533 50 0 IFAARN CN(C)Cc1nc(COC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cs1 ZINC000032818883 556393699 /nfs/dbraw/zinc/39/36/99/556393699.db2.gz DVTWLBICYSXQPS-UHFFFAOYSA-N 0 0 432.571 2.988 50 0 IFAARN CC(C)CN1C[C@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1=O ZINC000032809357 556394179 /nfs/dbraw/zinc/39/41/79/556394179.db2.gz DPTHHTYPWQZNFK-OAHLLOKOSA-N 0 0 426.344 2.782 50 0 IFAARN COc1cccc(CN2C[C@H](C(=O)NCCc3nc(-c4ccccc4)no3)CCC2=O)c1 ZINC000012056269 556394188 /nfs/dbraw/zinc/39/41/88/556394188.db2.gz YOIBIXRWFSCPRB-LJQANCHMSA-N 0 0 434.496 2.843 50 0 IFAARN CC(C)OCc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000014226513 556394926 /nfs/dbraw/zinc/39/49/26/556394926.db2.gz TZDNGVZWXVDJQU-UHFFFAOYSA-N 0 0 432.542 2.563 50 0 IFAARN CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000014228829 556396027 /nfs/dbraw/zinc/39/60/27/556396027.db2.gz WNWDCQYDHSVKJR-UHFFFAOYSA-N 0 0 439.581 2.580 50 0 IFAARN COc1ccc(OCCCC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000014230340 556397008 /nfs/dbraw/zinc/39/70/08/556397008.db2.gz YDCLIRZSPVTYQO-JOCHJYFZSA-N 0 0 445.947 2.878 50 0 IFAARN C[C@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014230266 556397022 /nfs/dbraw/zinc/39/70/22/556397022.db2.gz RQICSZYDCOEIMX-VIFPVBQESA-N 0 0 435.786 2.561 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000014233787 556398905 /nfs/dbraw/zinc/39/89/05/556398905.db2.gz PKSNHCBRZWQYJY-APWZRJJASA-N 0 0 437.496 2.872 50 0 IFAARN Cc1c(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)sc2nc3n(c(=O)c12)CCC3 ZINC000014234935 556399156 /nfs/dbraw/zinc/39/91/56/556399156.db2.gz ACWGHKVQDSYEFU-AWEZNQCLSA-N 0 0 425.510 2.917 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 ZINC000014240435 556400898 /nfs/dbraw/zinc/40/08/98/556400898.db2.gz WKFXKUJMNHNPAM-CYBMUJFWSA-N 0 0 441.509 2.583 50 0 IFAARN COc1cccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c1 ZINC000014241671 556402076 /nfs/dbraw/zinc/40/20/76/556402076.db2.gz XFMZBWVZQYTXRV-UHFFFAOYSA-N 0 0 439.331 2.828 50 0 IFAARN Cc1ccc(C(=O)NCC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)s1 ZINC000014241594 556402079 /nfs/dbraw/zinc/40/20/79/556402079.db2.gz HFBUBSYKCNWVBC-UHFFFAOYSA-N 0 0 426.464 2.939 50 0 IFAARN C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000014242199 556402581 /nfs/dbraw/zinc/40/25/81/556402581.db2.gz HZXFTRMLWJWNDX-QFYYESIMSA-N 0 0 439.453 2.871 50 0 IFAARN COc1ccc(OC)c([C@@H](C)N[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 ZINC000014244244 556403950 /nfs/dbraw/zinc/40/39/50/556403950.db2.gz PBBWDCYHFZPDJP-CVEARBPZSA-N 0 0 449.573 2.940 50 0 IFAARN CC(=O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 ZINC000032579190 556404828 /nfs/dbraw/zinc/40/48/28/556404828.db2.gz HSGZBJRKCWJDGI-UHFFFAOYSA-N 0 0 432.571 2.634 50 0 IFAARN CC[C@@H](CNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000014255089 556410430 /nfs/dbraw/zinc/41/04/30/556410430.db2.gz RIDRGLOYVOUEGB-FQEVSTJZSA-N 0 0 430.570 2.950 50 0 IFAARN CC[C@H](CNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000014255092 556410649 /nfs/dbraw/zinc/41/06/49/556410649.db2.gz RIDRGLOYVOUEGB-HXUWFJFHSA-N 0 0 430.570 2.950 50 0 IFAARN COc1ccc(CN(C(=O)CN2CCc3ccccc32)S(=O)(=O)c2cccnc2)cc1 ZINC000032642689 556412262 /nfs/dbraw/zinc/41/22/62/556412262.db2.gz HHDNYKXJGCDQKS-UHFFFAOYSA-N 0 0 437.521 2.870 50 0 IFAARN CCOC(=O)c1sc2nc(C)nc(N3CCC[C@H](C(=O)N4CCOCC4)C3)c2c1C ZINC000014330948 556413523 /nfs/dbraw/zinc/41/35/23/556413523.db2.gz DFGVPWJRBIGIBI-HNNXBMFYSA-N 0 0 432.546 2.560 50 0 IFAARN C[C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032672004 556414479 /nfs/dbraw/zinc/41/44/79/556414479.db2.gz TZLNAPOGZFNPON-AWEZNQCLSA-N 0 0 430.482 2.613 50 0 IFAARN Cn1c(=O)c2c(SCc3nc(-c4cccs4)no3)nc(C(C)(C)C)nc2n(C)c1=O ZINC000032672128 556414870 /nfs/dbraw/zinc/41/48/70/556414870.db2.gz IXLWGKBTWSIPSV-UHFFFAOYSA-N 0 0 444.542 2.729 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccccc1 ZINC000014374516 556415035 /nfs/dbraw/zinc/41/50/35/556415035.db2.gz NFAMVEUOGVETRC-UHFFFAOYSA-N 0 0 445.541 2.628 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)cc1 ZINC000014425115 556415928 /nfs/dbraw/zinc/41/59/28/556415928.db2.gz FYVINFVPNCXZKY-UHFFFAOYSA-N 0 0 440.525 2.624 50 0 IFAARN Cc1ccc2nc(COC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cn2c1 ZINC000032829682 556416434 /nfs/dbraw/zinc/41/64/34/556416434.db2.gz PMYUMDWCWNAJKS-CALCHBBNSA-N 0 0 443.525 2.798 50 0 IFAARN Cc1sc2nc(COC(=O)[C@@H](C)N3C(=O)c4ccc(C)cc4C3=O)[nH]c(=O)c2c1C ZINC000032830099 556416742 /nfs/dbraw/zinc/41/67/42/556416742.db2.gz RDNUBZLOCGMYPS-LLVKDONJSA-N 0 0 425.466 2.638 50 0 IFAARN Cc1sc2nc(COC(=O)[C@H](C)N3C(=O)c4ccc(C)cc4C3=O)[nH]c(=O)c2c1C ZINC000032830092 556416780 /nfs/dbraw/zinc/41/67/80/556416780.db2.gz RDNUBZLOCGMYPS-NSHDSACASA-N 0 0 425.466 2.638 50 0 IFAARN COC(=O)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1 ZINC000012946458 556417772 /nfs/dbraw/zinc/41/77/72/556417772.db2.gz WJJKXBNBEFDEDD-YZVOILCLSA-N 0 0 440.349 2.716 50 0 IFAARN O=C(CCn1nnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000032837002 556418513 /nfs/dbraw/zinc/41/85/13/556418513.db2.gz ZAKAORZWYKONEZ-UHFFFAOYSA-N 0 0 447.417 2.676 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000022932677 556418609 /nfs/dbraw/zinc/41/86/09/556418609.db2.gz VOPDEDZYKIRZLZ-AEFFLSMTSA-N 0 0 440.510 2.956 50 0 IFAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc2cc(Cl)ccc12 ZINC000012972461 556419143 /nfs/dbraw/zinc/41/91/43/556419143.db2.gz CKXYIYJLKFHVFJ-UHFFFAOYSA-N 0 0 436.896 2.634 50 0 IFAARN O=C(c1cccc2ccccc21)N1CCN2C(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]2C1 ZINC000014530559 556419993 /nfs/dbraw/zinc/41/99/93/556419993.db2.gz RFIGTRXBLHKAKW-FCHUYYIVSA-N 0 0 447.922 2.887 50 0 IFAARN CC(=O)c1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)[nH]n1 ZINC000014531932 556420990 /nfs/dbraw/zinc/42/09/90/556420990.db2.gz VSDVRJZDKVYKMY-FQEVSTJZSA-N 0 0 438.528 2.815 50 0 IFAARN C[C@@H](NC(=O)c1nn(CCO)c2c1CN(Cc1ccc3c(c1)CCO3)CC2)c1ccccc1 ZINC000014532671 556421284 /nfs/dbraw/zinc/42/12/84/556421284.db2.gz NKUSLXJXJNSOEY-GOSISDBHSA-N 0 0 446.551 2.860 50 0 IFAARN O=C(c1nn(Cc2ccncc2)c2c1CN(Cc1ccc3c(c1)OCO3)CC2)N1CCCC1 ZINC000014534798 556422784 /nfs/dbraw/zinc/42/27/84/556422784.db2.gz PJBLPKVTZPTMNJ-UHFFFAOYSA-N 0 0 445.523 2.849 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 ZINC000012979300 556423695 /nfs/dbraw/zinc/42/36/95/556423695.db2.gz FPONEQIXMJVGLG-UHFFFAOYSA-N 0 0 443.550 2.965 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000012981845 556424941 /nfs/dbraw/zinc/42/49/41/556424941.db2.gz NOCXVZZBCYXJCC-UHFFFAOYSA-N 0 0 444.285 2.694 50 0 IFAARN CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)Cc2cccc(F)c2F)CC1=O ZINC000014539906 556424975 /nfs/dbraw/zinc/42/49/75/556424975.db2.gz MBJSOWGPBWFETP-LJQANCHMSA-N 0 0 431.483 2.815 50 0 IFAARN COc1ccc(CN2C[C@H](OCc3cccnc3)CN(C(=O)c3ccco3)CC2=O)cc1 ZINC000014541528 556425510 /nfs/dbraw/zinc/42/55/10/556425510.db2.gz RIQGDNKPEZXOBS-NRFANRHFSA-N 0 0 435.480 2.753 50 0 IFAARN CCOc1cccc(CN2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)c1 ZINC000014541782 556425834 /nfs/dbraw/zinc/42/58/34/556425834.db2.gz YBHNKBDPVZIJIM-UHFFFAOYSA-N 0 0 434.540 2.762 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCc3c2cccc3C(=O)NCCc2ccncc2)cc1 ZINC000065210207 556426693 /nfs/dbraw/zinc/42/66/93/556426693.db2.gz CRDDLDQBWVEFGM-UHFFFAOYSA-N 0 0 437.521 2.814 50 0 IFAARN CCc1ccccc1N1C[C@H](C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)CC1=O ZINC000032842066 556427633 /nfs/dbraw/zinc/42/76/33/556427633.db2.gz XCXJRDQFJYWFDQ-CQSZACIVSA-N 0 0 431.418 2.980 50 0 IFAARN NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000012990705 556428326 /nfs/dbraw/zinc/42/83/26/556428326.db2.gz FCTRZRSGRRMEOB-HXUWFJFHSA-N 0 0 438.915 2.770 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCn1cnc2ccccc2c1=O ZINC000032843274 556428379 /nfs/dbraw/zinc/42/83/79/556428379.db2.gz IDRURVURCLEHGT-UHFFFAOYSA-N 0 0 443.301 2.612 50 0 IFAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000032843974 556428890 /nfs/dbraw/zinc/42/88/90/556428890.db2.gz GNSKBCIVIHBMPV-HXUWFJFHSA-N 0 0 428.514 2.845 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000032845853 556429710 /nfs/dbraw/zinc/42/97/10/556429710.db2.gz XMCLIWSVFANZBV-UHFFFAOYSA-N 0 0 430.526 2.580 50 0 IFAARN Cc1cc(NC(=O)CN(C)c2nc(CN3CCOCC3)nc3sc(C)c(C)c32)no1 ZINC000032853504 556431918 /nfs/dbraw/zinc/43/19/18/556431918.db2.gz RWMNMWTWQCGLJG-UHFFFAOYSA-N 0 0 430.534 2.512 50 0 IFAARN O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012998960 556432648 /nfs/dbraw/zinc/43/26/48/556432648.db2.gz JDPYAMCPADXXKM-FQEVSTJZSA-N 0 0 433.961 2.666 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000013000049 556432873 /nfs/dbraw/zinc/43/28/73/556432873.db2.gz BPLHOOSCYCIZIK-NVXWUHKLSA-N 0 0 430.888 2.602 50 0 IFAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000013000898 556433136 /nfs/dbraw/zinc/43/31/36/556433136.db2.gz CXBNSRFTGKDPQF-UHFFFAOYSA-N 0 0 446.617 2.848 50 0 IFAARN COC(=O)c1ccc(CNC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 ZINC000013001494 556433633 /nfs/dbraw/zinc/43/36/33/556433633.db2.gz KDEGCJYJYYNTGR-SFHVURJKSA-N 0 0 426.494 2.507 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000014702085 556433709 /nfs/dbraw/zinc/43/37/09/556433709.db2.gz BBTKHIFJFYFNHU-UHFFFAOYSA-N 0 0 443.887 2.565 50 0 IFAARN O=C(c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000013002423 556433805 /nfs/dbraw/zinc/43/38/05/556433805.db2.gz QFOKUVQFJNIGFD-UHFFFAOYSA-N 0 0 445.285 2.874 50 0 IFAARN Cc1cc(NC(=O)CN2C(=O)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)n(-c2ccc(F)cc2)n1 ZINC000032858181 556434419 /nfs/dbraw/zinc/43/44/19/556434419.db2.gz UVIOWGKRUULCFO-SUMWQHHRSA-N 0 0 441.463 2.628 50 0 IFAARN CN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(=O)(=O)c1cccs1 ZINC000014704059 556434537 /nfs/dbraw/zinc/43/45/37/556434537.db2.gz LMIACFZKPSQZNU-UHFFFAOYSA-N 0 0 433.511 2.530 50 0 IFAARN COc1cc2c(cc1OC)[C@]1(O)C(=O)c3c(O)cc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4 ZINC000014721540 556435718 /nfs/dbraw/zinc/43/57/18/556435718.db2.gz OFLCPNIRDVOOEZ-WZONZLPQSA-N 0 0 426.421 2.818 50 0 biogenic,in-vitro IFAARN COC(=O)c1ccc(COC(=O)[C@H](CCSC)NC(=O)COc2ccccc2)cc1 ZINC000013013905 556436717 /nfs/dbraw/zinc/43/67/17/556436717.db2.gz GJAFOZGVNTYJDH-IBGZPJMESA-N 0 0 431.510 2.833 50 0 IFAARN CC[C@H](C)CNc1cc(C(=O)NCCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014746792 556441594 /nfs/dbraw/zinc/44/15/94/556441594.db2.gz SLCHMPZVHFKGQI-SFHVURJKSA-N 0 0 447.605 2.946 50 0 IFAARN CCCNc1cc(C(=O)NCc2cn3ccccc3n2)cc(S(=O)(=O)NC(C)C)c1 ZINC000014747417 556441875 /nfs/dbraw/zinc/44/18/75/556441875.db2.gz FVJPNOULBANYRT-UHFFFAOYSA-N 0 0 429.546 2.773 50 0 IFAARN CC(C)NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccccc2Br)c1 ZINC000028047184 556442450 /nfs/dbraw/zinc/44/24/50/556442450.db2.gz ZKLJEQKSFQIKQR-UHFFFAOYSA-N 0 0 447.376 2.614 50 0 IFAARN CC[C@H](C)C(=O)Nc1c2cc(N[C@@H](C)CO)cnc2n(C[C@@H]2CCCO2)c1C(=O)OC ZINC000014749412 556442610 /nfs/dbraw/zinc/44/26/10/556442610.db2.gz VEEDIMUKVLRSTN-DZKIICNBSA-N 0 0 432.521 2.779 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000013031768 556442965 /nfs/dbraw/zinc/44/29/65/556442965.db2.gz ILGQVXBKJAVQIJ-QGZVFWFLSA-N 0 0 435.977 2.665 50 0 IFAARN CCOC(=O)C1=C(CN(C)CC(=O)Nc2ccc(F)cc2)NC(=O)N[C@H]1c1cccs1 ZINC000013038100 556443775 /nfs/dbraw/zinc/44/37/75/556443775.db2.gz LCYICQQMMMLGPQ-IBGZPJMESA-N 0 0 446.504 2.629 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccccc1 ZINC000013038238 556443796 /nfs/dbraw/zinc/44/37/96/556443796.db2.gz KQZYZZXGUMGHMG-LJQANCHMSA-N 0 0 441.597 2.749 50 0 IFAARN CCCCn1cnc2c1c(=O)n(CC(=O)Nc1cc(C)ccc1OC)c(=O)n2CCCC ZINC000013039070 556444732 /nfs/dbraw/zinc/44/47/32/556444732.db2.gz FGMNZXRAGXZGQJ-UHFFFAOYSA-N 0 0 441.532 2.916 50 0 IFAARN CC(=O)Nc1nc(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cs1 ZINC000013041091 556447233 /nfs/dbraw/zinc/44/72/33/556447233.db2.gz JWBUNIPUTGVUDR-UHFFFAOYSA-N 0 0 449.385 2.915 50 0 IFAARN COc1cc(OC)cc([C@@H](Nc2ccc(S(=O)(=O)NC(C)C)cn2)c2nccn2C)c1 ZINC000032863493 556448637 /nfs/dbraw/zinc/44/86/37/556448637.db2.gz RDIHKHOTSPXOKU-HXUWFJFHSA-N 0 0 445.545 2.721 50 0 IFAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013056457 556448784 /nfs/dbraw/zinc/44/87/84/556448784.db2.gz UKJJASCVMDWAIL-CRAIPNDOSA-N 0 0 447.523 2.707 50 0 IFAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013056455 556448874 /nfs/dbraw/zinc/44/88/74/556448874.db2.gz UKJJASCVMDWAIL-YJBOKZPZSA-N 0 0 447.523 2.707 50 0 IFAARN CCc1cccc(OCC(=O)N(CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000014863344 556451464 /nfs/dbraw/zinc/45/14/64/556451464.db2.gz XGZWFDFSZIEHHW-UHFFFAOYSA-N 0 0 425.529 2.952 50 0 IFAARN CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)nc1C ZINC000014865810 556451782 /nfs/dbraw/zinc/45/17/82/556451782.db2.gz NVOHASILSFCWEP-UHFFFAOYSA-N 0 0 431.923 2.784 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)OCc3ccc(F)cc3)CC2=O)cc1 ZINC000032867739 556452044 /nfs/dbraw/zinc/45/20/44/556452044.db2.gz RHVSBRPCYJUSOZ-KRWDZBQOSA-N 0 0 448.516 2.953 50 0 IFAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SC[C@]2(C)NC(=O)NC2=O)cc1 ZINC000013068693 556452604 /nfs/dbraw/zinc/45/26/04/556452604.db2.gz DJXLZGCZQZYGHL-PEBXRYMYSA-N 0 0 441.509 2.869 50 0 IFAARN CC(C)C[C@@H](C(=O)OCC(=O)N1CCC(c2ccccc2)=N1)N1C(=O)c2ccccc2C1=O ZINC000013070940 556453439 /nfs/dbraw/zinc/45/34/39/556453439.db2.gz PAMZZAHADWIZMV-NRFANRHFSA-N 0 0 447.491 2.877 50 0 IFAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000013071449 556453521 /nfs/dbraw/zinc/45/35/21/556453521.db2.gz UTVLRWQIVXRYOA-OAHLLOKOSA-N 0 0 435.933 2.503 50 0 IFAARN CCc1ccccc1Nc1nc(N)nc(COC(=O)[C@H](C)NC(=O)c2cccc(C)c2)n1 ZINC000013074050 556454531 /nfs/dbraw/zinc/45/45/31/556454531.db2.gz WAIFCFAQLCKZIA-HNNXBMFYSA-N 0 0 434.500 2.930 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000013073675 556454637 /nfs/dbraw/zinc/45/46/37/556454637.db2.gz CTPRGYJVBRVJLR-OAHLLOKOSA-N 0 0 442.468 2.596 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H]1C ZINC000013074351 556455031 /nfs/dbraw/zinc/45/50/31/556455031.db2.gz ULILOMLGLZPIPS-MBOZVWFJSA-N 0 0 436.574 2.571 50 0 IFAARN O=C(Cc1cccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000028468966 556455342 /nfs/dbraw/zinc/45/53/42/556455342.db2.gz JCWNGDBTIDDCNN-UHFFFAOYSA-N 0 0 449.598 2.941 50 0 IFAARN CN1CCN(C(=O)C[C@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)CC1 ZINC000014887695 556455825 /nfs/dbraw/zinc/45/58/25/556455825.db2.gz AVQPYUQMBKOZLA-AREMUKBSSA-N 0 0 431.536 2.677 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C)c3nc4ccccc4nc32)c1 ZINC000014901079 556456938 /nfs/dbraw/zinc/45/69/38/556456938.db2.gz PEFAVSMJKKEPJD-UHFFFAOYSA-N 0 0 445.932 2.630 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2ccc(C(F)(F)F)n2)c1 ZINC000028617026 556457368 /nfs/dbraw/zinc/45/73/68/556457368.db2.gz RHZKNRANAIQUPN-UHFFFAOYSA-N 0 0 434.440 2.580 50 0 IFAARN C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013097280 556457880 /nfs/dbraw/zinc/45/78/80/556457880.db2.gz IGHKKTQMLJVTOO-MOPGFXCFSA-N 0 0 427.570 2.500 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(CNc2ccc3nnc(C(F)(F)F)n3n2)cc1 ZINC000032869619 556457938 /nfs/dbraw/zinc/45/79/38/556457938.db2.gz LMAJHLBEVLIFQM-UHFFFAOYSA-N 0 0 428.440 2.786 50 0 IFAARN CC(C)Nc1nn(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(=S)s1 ZINC000013097595 556458278 /nfs/dbraw/zinc/45/82/78/556458278.db2.gz XYVBWELZYBWSEW-UHFFFAOYSA-N 0 0 431.584 2.597 50 0 IFAARN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)C3CCN(C(N)=O)CC3)ccc2C)c1 ZINC000013097556 556458283 /nfs/dbraw/zinc/45/82/83/556458283.db2.gz RDOVIIVVUCHSAC-UHFFFAOYSA-N 0 0 430.530 2.833 50 0 IFAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000013097850 556458530 /nfs/dbraw/zinc/45/85/30/556458530.db2.gz RYMYTVITZIESEU-CALCHBBNSA-N 0 0 426.604 2.730 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 ZINC000028700279 556459242 /nfs/dbraw/zinc/45/92/42/556459242.db2.gz NFLHOMOXBSZZGB-UHFFFAOYSA-N 0 0 440.525 2.574 50 0 IFAARN NS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000013098986 556459458 /nfs/dbraw/zinc/45/94/58/556459458.db2.gz BPFFMJVLBFZWAO-CQSZACIVSA-N 0 0 430.555 2.762 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)NCCC1=CCCCC1 ZINC000028721675 556459474 /nfs/dbraw/zinc/45/94/74/556459474.db2.gz IHBJXWRCUIODOG-XMMPIXPASA-N 0 0 435.572 2.969 50 0 IFAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1=O ZINC000013100213 556459787 /nfs/dbraw/zinc/45/97/87/556459787.db2.gz ISYFGBQAHQRRCY-VWLOTQADSA-N 0 0 443.459 2.795 50 0 IFAARN O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000014944988 556459968 /nfs/dbraw/zinc/45/99/68/556459968.db2.gz UMWHVBTZIYRUQL-FBAVSBLXSA-N 0 0 425.847 2.910 50 0 IFAARN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000014955011 556461846 /nfs/dbraw/zinc/46/18/46/556461846.db2.gz PFCWOXFAYUMNIV-XMMPIXPASA-N 0 0 449.511 2.917 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N3CCCC[C@H]3C)CC1)O[C@H](C)C(=O)N2 ZINC000032958918 556462039 /nfs/dbraw/zinc/46/20/39/556462039.db2.gz GOXGFNRBSBPLFA-HZPDHXFCSA-N 0 0 449.573 2.516 50 0 IFAARN COc1ccc(N[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cc1S(=O)(=O)N(C)C ZINC000028853258 556462709 /nfs/dbraw/zinc/46/27/09/556462709.db2.gz AMWZGYVZGGMAMO-AWEZNQCLSA-N 0 0 445.541 2.538 50 0 IFAARN O=C(CN1c2ccccc2OCCC1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013113412 556466482 /nfs/dbraw/zinc/46/64/82/556466482.db2.gz SPWBPLWGCOBDHH-UHFFFAOYSA-N 0 0 443.525 2.615 50 0 IFAARN COC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000013115505 556467851 /nfs/dbraw/zinc/46/78/51/556467851.db2.gz SJKKIOLRMUKDKG-CQSZACIVSA-N 0 0 445.497 2.570 50 0 IFAARN CCCn1nc(C(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)c2ccccc2c1=O ZINC000013115432 556467881 /nfs/dbraw/zinc/46/78/81/556467881.db2.gz UZEVQHDKNIXPAP-UHFFFAOYSA-N 0 0 438.503 2.912 50 0 IFAARN O=C(NC[C@@H]1OCCc2ccccc21)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000014975272 556468007 /nfs/dbraw/zinc/46/80/07/556468007.db2.gz GXCASAGGICDNDV-QFIPXVFZSA-N 0 0 431.452 2.878 50 0 IFAARN O=C(c1ccc(F)cc1Br)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000029304201 556471909 /nfs/dbraw/zinc/47/19/09/556471909.db2.gz RQWCPXYHTRAMAX-UHFFFAOYSA-N 0 0 445.292 2.554 50 0 IFAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(CCc3cccs3)C2=O)c(C)n1CC(F)(F)F ZINC000013119810 556472021 /nfs/dbraw/zinc/47/20/21/556472021.db2.gz TXLPJWXLQCUKOG-UHFFFAOYSA-N 0 0 441.431 2.945 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000013120172 556472289 /nfs/dbraw/zinc/47/22/89/556472289.db2.gz ZJESSKAIBBQHQD-QFIPXVFZSA-N 0 0 442.585 2.633 50 0 IFAARN Cc1noc(C)c1COc1ccc(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000013120346 556472358 /nfs/dbraw/zinc/47/23/58/556472358.db2.gz JZPFAGJCYFLQMI-UHFFFAOYSA-N 0 0 440.500 2.945 50 0 IFAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000029348742 556473012 /nfs/dbraw/zinc/47/30/12/556473012.db2.gz NKPLRTNKZGJEEY-UHFFFAOYSA-N 0 0 439.537 2.821 50 0 IFAARN Cc1ccc(OCc2c(C(=O)NC(C)C)c(=O)cc(C)n2CCN2CCOCC2)cc1 ZINC000014987785 556473369 /nfs/dbraw/zinc/47/33/69/556473369.db2.gz HTADNDDTBMUPID-UHFFFAOYSA-N 0 0 427.545 2.515 50 0 IFAARN O=C(COC(=O)CSc1ccc(Br)cc1)NC(=O)NCc1ccco1 ZINC000013127063 556475691 /nfs/dbraw/zinc/47/56/91/556475691.db2.gz OIWWMRWSZNOANH-UHFFFAOYSA-N 0 0 427.276 2.703 50 0 IFAARN COc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)ccc1OCC(N)=O ZINC000029477476 556476060 /nfs/dbraw/zinc/47/60/60/556476060.db2.gz CQJSUQFVAHOISI-KRWDZBQOSA-N 0 0 426.469 2.698 50 0 IFAARN O=C(COc1ccc(Cl)cc1Cl)NC1=NC2=NC(=O)C[C@@H](c3ccccc3)N2N1 ZINC000013127377 556476140 /nfs/dbraw/zinc/47/61/40/556476140.db2.gz GYBKTQANUDFVHD-AWEZNQCLSA-N 0 0 432.267 2.692 50 0 IFAARN COc1ccccc1-c1cc(C(=O)NCc2ccc3c(c2)OCO3)cc(-n2cnnn2)c1 ZINC000014993383 556476253 /nfs/dbraw/zinc/47/62/53/556476253.db2.gz UUVIUIZJVVZKPO-UHFFFAOYSA-N 0 0 429.436 2.997 50 0 IFAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000013127861 556476391 /nfs/dbraw/zinc/47/63/91/556476391.db2.gz QRTDNSFHBOSNPC-UHFFFAOYSA-N 0 0 438.513 2.837 50 0 IFAARN NC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000013128020 556477025 /nfs/dbraw/zinc/47/70/25/556477025.db2.gz OUDUUEKWKHFMLR-HNNXBMFYSA-N 0 0 449.964 2.804 50 0 IFAARN Cn1nc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c2ccccc2c1=O ZINC000029567781 556477968 /nfs/dbraw/zinc/47/79/68/556477968.db2.gz MWWFYJDWMDAPOV-UHFFFAOYSA-N 0 0 441.513 2.936 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)CCNc2nc(-c3ccncc3)nc3ccccc32)C[C@@H](C)O1 ZINC000029625489 556478978 /nfs/dbraw/zinc/47/89/78/556478978.db2.gz CKVSNJVNDXVNSE-HZPDHXFCSA-N 0 0 427.530 2.543 50 0 IFAARN Cc1ccccc1NC(=O)Cc1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cs1 ZINC000013130516 556479736 /nfs/dbraw/zinc/47/97/36/556479736.db2.gz JZZWBXJRDAIQLQ-UHFFFAOYSA-N 0 0 426.498 2.866 50 0 IFAARN COC(CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)OC ZINC000013131489 556480423 /nfs/dbraw/zinc/48/04/23/556480423.db2.gz MUPDZOMHVVBOJC-IBGZPJMESA-N 0 0 429.904 2.898 50 0 IFAARN Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1 ZINC000013133457 556481037 /nfs/dbraw/zinc/48/10/37/556481037.db2.gz GIIXSQXRGIFYEE-HXUWFJFHSA-N 0 0 430.302 2.841 50 0 IFAARN O=C(CSc1n[nH]c(-c2ccccc2F)n1)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000013133608 556481053 /nfs/dbraw/zinc/48/10/53/556481053.db2.gz YFMUPKZXBHTDJO-UHFFFAOYSA-N 0 0 439.394 2.875 50 0 IFAARN O=C(CCn1nc(-c2cccs2)oc1=O)OCc1ccc(C(=O)N2CCCC2)cc1 ZINC000029746523 556481184 /nfs/dbraw/zinc/48/11/84/556481184.db2.gz TXAJHFFVKMNNAS-UHFFFAOYSA-N 0 0 427.482 2.934 50 0 IFAARN COc1cc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000013134847 556482890 /nfs/dbraw/zinc/48/28/90/556482890.db2.gz NGCQGWWRCAJMPI-UHFFFAOYSA-N 0 0 436.508 2.862 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 ZINC000013137888 556484686 /nfs/dbraw/zinc/48/46/86/556484686.db2.gz ZRRQIZKNTYESSK-UHFFFAOYSA-N 0 0 449.532 2.933 50 0 IFAARN CCOc1ccc(NCC(=O)Nc2ccccc2OC(F)F)cc1S(=O)(=O)N(C)C ZINC000029933508 556486953 /nfs/dbraw/zinc/48/69/53/556486953.db2.gz FRCBVTFBLRTRMM-UHFFFAOYSA-N 0 0 443.472 2.988 50 0 IFAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC000029959363 556487281 /nfs/dbraw/zinc/48/72/81/556487281.db2.gz YIZPWNAHGWUXMC-AWEZNQCLSA-N 0 0 438.431 2.599 50 0 IFAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC000029959361 556487361 /nfs/dbraw/zinc/48/73/61/556487361.db2.gz YIZPWNAHGWUXMC-CQSZACIVSA-N 0 0 438.431 2.599 50 0 IFAARN CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000015019295 556487838 /nfs/dbraw/zinc/48/78/38/556487838.db2.gz DNXMKSNASQVTHU-UHFFFAOYSA-N 0 0 429.468 2.880 50 0 IFAARN O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000029986743 556488233 /nfs/dbraw/zinc/48/82/33/556488233.db2.gz HVADPNDIHLYRQQ-GOSISDBHSA-N 0 0 430.505 2.604 50 0 IFAARN CS(=O)(=O)N1CCC(NC(=O)c2ccccc2SCc2cn3ccccc3n2)CC1 ZINC000029993241 556488546 /nfs/dbraw/zinc/48/85/46/556488546.db2.gz MNBSVSIANDHSPA-UHFFFAOYSA-N 0 0 444.582 2.780 50 0 IFAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1 ZINC000029992254 556488616 /nfs/dbraw/zinc/48/86/16/556488616.db2.gz DWTZAPXJIORQTD-IBGZPJMESA-N 0 0 441.919 2.602 50 0 IFAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)C[C@H](C)O1 ZINC000013147644 556488700 /nfs/dbraw/zinc/48/87/00/556488700.db2.gz ACFQZPGSKMZZEV-GJZGRUSLSA-N 0 0 432.498 2.508 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)C[C@@H](C)O1 ZINC000013147642 556488743 /nfs/dbraw/zinc/48/87/43/556488743.db2.gz ACFQZPGSKMZZEV-HUUCEWRRSA-N 0 0 432.498 2.508 50 0 IFAARN Cc1ccc2oc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)cc(=O)c2c1 ZINC000015039889 556489410 /nfs/dbraw/zinc/48/94/10/556489410.db2.gz NYKGPCZTTQNCPR-UHFFFAOYSA-N 0 0 448.447 2.526 50 0 IFAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)NCC1(N2CCOCC2)CCCCC1 ZINC000030019217 556489503 /nfs/dbraw/zinc/48/95/03/556489503.db2.gz KTJKPZNXZWAWAU-UHFFFAOYSA-N 0 0 432.546 2.682 50 0 IFAARN CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000030029022 556489514 /nfs/dbraw/zinc/48/95/14/556489514.db2.gz RPQHQFJRDLXFRO-JOCHJYFZSA-N 0 0 427.570 2.990 50 0 IFAARN CCCCN(C(=O)c1ccc(OC(F)F)c(OC)c1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000013148351 556489701 /nfs/dbraw/zinc/48/97/01/556489701.db2.gz YTRKAUUGXPKEQI-UHFFFAOYSA-N 0 0 440.447 2.586 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C)C[C@@H]3c3ccccc3)C2)s1 ZINC000030030738 556489970 /nfs/dbraw/zinc/48/99/70/556489970.db2.gz XDVVXMGOSHQEGQ-VQTJNVASSA-N 0 0 447.626 2.973 50 0 IFAARN Cc1nc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(Cl)cc1Cl ZINC000013149050 556490678 /nfs/dbraw/zinc/49/06/78/556490678.db2.gz BSKVGHKFXRORGT-VXGBXAGGSA-N 0 0 442.299 2.744 50 0 IFAARN CC(C)NC(=O)NC(=O)CN(Cc1ccco1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000013149641 556491310 /nfs/dbraw/zinc/49/13/10/556491310.db2.gz REZDSNCQMGFJGI-UHFFFAOYSA-N 0 0 447.435 2.724 50 0 IFAARN CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013149530 556491315 /nfs/dbraw/zinc/49/13/15/556491315.db2.gz CNYKGDQHPRTHAH-UHFFFAOYSA-N 0 0 432.498 2.665 50 0 IFAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCSCc1ccc(Br)s1 ZINC000030203925 556491417 /nfs/dbraw/zinc/49/14/17/556491417.db2.gz RQGQEWRNCMWWOC-STQMWFEESA-N 0 0 443.388 2.811 50 0 IFAARN COCCn1c(CN(C)[C@@H](C)c2nc(C)sc2C)cnc1S(=O)(=O)CC1CC1 ZINC000015064922 556492164 /nfs/dbraw/zinc/49/21/64/556492164.db2.gz RNXUCMCORMMTTG-ZDUSSCGKSA-N 0 0 426.608 2.980 50 0 IFAARN COc1ccc([C@H]2CCCN2CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(OC)c1 ZINC000030281752 556492345 /nfs/dbraw/zinc/49/23/45/556492345.db2.gz VYVYCSCSUYWEIC-QGZVFWFLSA-N 0 0 429.498 2.851 50 0 IFAARN CN1C(=O)C[C@@](CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)(c2cccc(F)c2)C1=O ZINC000015066736 556493115 /nfs/dbraw/zinc/49/31/15/556493115.db2.gz CRAZRKQMRKTGQP-KXZPLDGJSA-N 0 0 449.526 2.700 50 0 IFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F)N1CCc2c(Cl)cccc2C1 ZINC000015068396 556494177 /nfs/dbraw/zinc/49/41/77/556494177.db2.gz DUAKKUKDTRDQAA-LJQANCHMSA-N 0 0 433.886 2.894 50 0 IFAARN O=C(NCc1ccccc1COc1ccccc1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000030510951 556495857 /nfs/dbraw/zinc/49/58/57/556495857.db2.gz BKDVVTMSJRHIIC-UHFFFAOYSA-N 0 0 442.475 2.929 50 0 IFAARN NC(=O)c1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)n2)cc1 ZINC000013164319 556496034 /nfs/dbraw/zinc/49/60/34/556496034.db2.gz MFKLTYOJYJPGMD-UHFFFAOYSA-N 0 0 436.491 2.940 50 0 IFAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000013164949 556497607 /nfs/dbraw/zinc/49/76/07/556497607.db2.gz IWYSFFGPXBKZGY-OLZOCXBDSA-N 0 0 445.570 2.545 50 0 IFAARN CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N2CCOc3ccccc3C2)CC1 ZINC000015080648 556501171 /nfs/dbraw/zinc/50/11/71/556501171.db2.gz LBVODNLBWPNLLV-UHFFFAOYSA-N 0 0 430.526 2.524 50 0 IFAARN O=C(COc1cccc(C(F)(F)F)c1)NCCNC(=O)c1nc(-c2cccs2)no1 ZINC000015082108 556501377 /nfs/dbraw/zinc/50/13/77/556501377.db2.gz QNNMVOOHEXMKDB-UHFFFAOYSA-N 0 0 440.403 2.742 50 0 IFAARN Cn1c(=O)c2c(n(C)c1=O)CC(c1ccc(Br)cc1)=NN=C2c1ccccc1 ZINC000015085084 556502225 /nfs/dbraw/zinc/50/22/25/556502225.db2.gz FKSGCBZFVREHCR-UHFFFAOYSA-N 0 0 437.297 2.644 50 0 IFAARN CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2CCc2ccc(OC)c(OC)c2)C1 ZINC000013322711 556502790 /nfs/dbraw/zinc/50/27/90/556502790.db2.gz HULJFYRPEPSARD-OAHLLOKOSA-N 0 0 440.591 2.730 50 0 IFAARN O=S(=O)(c1ccc(Br)s1)N1CCN(c2cnc3ccccc3n2)CC1 ZINC000030762349 556505492 /nfs/dbraw/zinc/50/54/92/556505492.db2.gz YYDRJPVXUQHWDX-UHFFFAOYSA-N 0 0 439.360 2.965 50 0 IFAARN CCn1c2ccccc2nc(N2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)c1=O ZINC000064926180 556506251 /nfs/dbraw/zinc/50/62/51/556506251.db2.gz CPSGKTZTRATNMP-UHFFFAOYSA-N 0 0 437.500 2.788 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(N3C(=O)CC4(CCCC4)C3=O)c(Cl)c2)C[C@H](C)O1 ZINC000013463783 556506410 /nfs/dbraw/zinc/50/64/10/556506410.db2.gz MDMQRDBZVDDIAP-OKILXGFUSA-N 0 0 440.949 2.962 50 0 IFAARN COc1ccc2c(c1)nc(SCC(=O)N[C@H]1CCS(=O)(=O)C1)cc2C(F)(F)F ZINC000030831846 556507230 /nfs/dbraw/zinc/50/72/30/556507230.db2.gz UCIIYWIVRUEAAB-JTQLQIEISA-N 0 0 434.461 2.658 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)COC(=O)Cc1ccccc1F ZINC000015183033 556508735 /nfs/dbraw/zinc/50/87/35/556508735.db2.gz HZTPKQXUZFNRIK-UHFFFAOYSA-N 0 0 437.265 2.737 50 0 IFAARN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1 ZINC000013495504 556508842 /nfs/dbraw/zinc/50/88/42/556508842.db2.gz IMMDPDPHKHFXBH-UHFFFAOYSA-N 0 0 437.949 2.851 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n(C)c1 ZINC000032882888 556509388 /nfs/dbraw/zinc/50/93/88/556509388.db2.gz SEIIPYWGZBTUFQ-INIZCTEOSA-N 0 0 443.573 2.952 50 0 IFAARN Cc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccccc3)nc3c(C(N)=O)ncn32)o1 ZINC000032888343 556511185 /nfs/dbraw/zinc/51/11/85/556511185.db2.gz BIQZLOGMWGBEMR-UHFFFAOYSA-N 0 0 441.451 2.894 50 0 IFAARN COc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 ZINC000013519157 556512179 /nfs/dbraw/zinc/51/21/79/556512179.db2.gz BNYINXDLKAMNDC-UHFFFAOYSA-N 0 0 434.514 2.896 50 0 IFAARN Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c1C ZINC000015245293 556513538 /nfs/dbraw/zinc/51/35/38/556513538.db2.gz HGGKFARIOZHVIN-HXOBKFHXSA-N 0 0 426.469 2.547 50 0 IFAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000032895614 556515121 /nfs/dbraw/zinc/51/51/21/556515121.db2.gz RYMPTARTYBKJGT-GASCZTMLSA-N 0 0 440.997 2.987 50 0 IFAARN O=C(C[C@H]1C(=O)N(CCCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000030937570 556515296 /nfs/dbraw/zinc/51/52/96/556515296.db2.gz DTZLBSDOIOUMMQ-NRFANRHFSA-N 0 0 433.512 2.675 50 0 IFAARN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@@]12c1cc(Cl)ccc1NC2=O ZINC000013556066 556516544 /nfs/dbraw/zinc/51/65/44/556516544.db2.gz UZFLCNCFVZZYLV-QFIPXVFZSA-N 0 0 438.823 2.810 50 0 IFAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1 ZINC000032898799 556516835 /nfs/dbraw/zinc/51/68/35/556516835.db2.gz NWOLDQMUBFVIMI-UHFFFAOYSA-N 0 0 439.468 2.769 50 0 IFAARN CSCC[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCC1 ZINC000013557527 556517478 /nfs/dbraw/zinc/51/74/78/556517478.db2.gz VSBNTDZVMZAYNZ-NPPFBWRTSA-N 0 0 447.626 2.943 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(F)cc2)cc1 ZINC000013565492 556518487 /nfs/dbraw/zinc/51/84/87/556518487.db2.gz AHHDJBKGXWXOJC-UHFFFAOYSA-N 0 0 429.473 2.741 50 0 IFAARN COc1cc(NC(=O)[C@H]2CS[C@@H](Cc3ccc(F)cc3)C(=O)N2)cc(OC)c1OC ZINC000032891658 556519578 /nfs/dbraw/zinc/51/95/78/556519578.db2.gz OCQQFPDLCXUBSB-QAPCUYQASA-N 0 0 434.489 2.633 50 0 IFAARN CNC(=O)c1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)c1 ZINC000032893484 556521312 /nfs/dbraw/zinc/52/13/12/556521312.db2.gz VZGSPDINCJUZQG-UHFFFAOYSA-N 0 0 425.514 2.538 50 0 IFAARN Cc1ccc(C)c(OC[C@@H](O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 ZINC000015346536 556522675 /nfs/dbraw/zinc/52/26/75/556522675.db2.gz VNMKNJDAFOZNEX-NCSHYYEOSA-N 0 0 430.570 2.661 50 0 IFAARN CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O ZINC000013573901 556524483 /nfs/dbraw/zinc/52/44/83/556524483.db2.gz CRJBJBPTAGDYSC-RMFUMNGISA-N 0 0 430.457 2.760 50 0 IFAARN COc1ccc(CNC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)c(OC)c1 ZINC000013574868 556525094 /nfs/dbraw/zinc/52/50/94/556525094.db2.gz DUVZEEZHUVIKJD-UHFFFAOYSA-N 0 0 427.453 2.995 50 0 IFAARN Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)NC(=O)Nc1ccccc1 ZINC000015419422 556526780 /nfs/dbraw/zinc/52/67/80/556526780.db2.gz YJTYNOUOFQMMEK-UHFFFAOYSA-N 0 0 433.306 2.976 50 0 IFAARN O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000032097464 556528509 /nfs/dbraw/zinc/52/85/09/556528509.db2.gz TVCXBDMLTUEIAL-CQSZACIVSA-N 0 0 436.413 2.858 50 0 IFAARN Nc1nc(CSCC(=O)Nc2ccc3c(c2)OCCO3)nc(Nc2ccc(F)cc2)n1 ZINC000015496025 556530972 /nfs/dbraw/zinc/53/09/72/556530972.db2.gz KBJIDBUCEATQEH-UHFFFAOYSA-N 0 0 442.476 2.980 50 0 IFAARN O=C(Cc1cnn(-c2ccccc2)c1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000032900082 556531888 /nfs/dbraw/zinc/53/18/88/556531888.db2.gz HVJWTZDJJUGBMX-UHFFFAOYSA-N 0 0 438.553 2.906 50 0 IFAARN CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000032900169 556531921 /nfs/dbraw/zinc/53/19/21/556531921.db2.gz CABHVONIXPMTKU-HNNXBMFYSA-N 0 0 434.518 2.784 50 0 IFAARN CCN(CCn1cccn1)Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21 ZINC000013596125 556532012 /nfs/dbraw/zinc/53/20/12/556532012.db2.gz KIYLCTKVRGYZBP-CALCHBBNSA-N 0 0 444.967 2.956 50 0 IFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000013603276 556532992 /nfs/dbraw/zinc/53/29/92/556532992.db2.gz JSBZIBSZMZQZKI-XYSGSMRZSA-N 0 0 440.546 2.868 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 ZINC000013607225 556533317 /nfs/dbraw/zinc/53/33/17/556533317.db2.gz WPWCNGUIGPHSJN-UHFFFAOYSA-N 0 0 448.884 2.600 50 0 IFAARN COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc(Cn4cncn4)cc3)c(=O)oc2c1 ZINC000013608109 556533609 /nfs/dbraw/zinc/53/36/09/556533609.db2.gz NMAYIOLKEAENMF-UHFFFAOYSA-N 0 0 434.452 2.940 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cn2cc(-c3ccccc3)n(C)c2=S)CC1 ZINC000015544999 556533744 /nfs/dbraw/zinc/53/37/44/556533744.db2.gz NJKCGGDODBUEBA-UHFFFAOYSA-N 0 0 447.586 2.792 50 0 IFAARN O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000032900971 556535319 /nfs/dbraw/zinc/53/53/19/556535319.db2.gz GMOOESHEJHGVSY-GFCCVEGCSA-N 0 0 444.376 2.623 50 0 IFAARN COc1ccc([C@H](CNC(=O)c2ccc(OCC(F)(F)F)nc2)N2CCOCC2)cc1 ZINC000032902364 556535927 /nfs/dbraw/zinc/53/59/27/556535927.db2.gz STZALFQCEUTPFA-SFHVURJKSA-N 0 0 439.434 2.835 50 0 IFAARN O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1Cl ZINC000015585385 556536111 /nfs/dbraw/zinc/53/61/11/556536111.db2.gz DFNBPJCYUOMMKV-UHFFFAOYSA-N 0 0 428.869 2.948 50 0 IFAARN COc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc(OC)c1 ZINC000032901733 556537334 /nfs/dbraw/zinc/53/73/34/556537334.db2.gz BPJJKDCESJCDLT-LSDHHAIUSA-N 0 0 430.457 2.719 50 0 IFAARN O=C([C@@H]1Cc2ccccc2O1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000015604443 556537432 /nfs/dbraw/zinc/53/74/32/556537432.db2.gz QQWVAMAYCSQBRA-SFHVURJKSA-N 0 0 440.443 2.542 50 0 IFAARN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000032719777 556538622 /nfs/dbraw/zinc/53/86/22/556538622.db2.gz OUWXFOTWDNVJJX-GOSISDBHSA-N 0 0 447.557 2.813 50 0 IFAARN CC(C)N1C[C@@H]([NH2+]Cc2c(F)cccc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000032560954 556540763 /nfs/dbraw/zinc/54/07/63/556540763.db2.gz ISDWKFONIGIJKA-UWJYYQICSA-N 0 0 445.510 2.993 50 0 IFAARN O=C(NCCN1CCOCC1)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000015659896 556541643 /nfs/dbraw/zinc/54/16/43/556541643.db2.gz RTWNWKFDCONJOK-UHFFFAOYSA-N 0 0 425.436 2.539 50 0 IFAARN CC[C@@]1(C)CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000072303164 556547203 /nfs/dbraw/zinc/54/72/03/556547203.db2.gz FPVWKMPKADTQRU-QFIPXVFZSA-N 0 0 436.574 2.897 50 0 IFAARN O=C(Nc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1)c1cccs1 ZINC000032722133 556547740 /nfs/dbraw/zinc/54/77/40/556547740.db2.gz QXPVJZMHNXJDLG-ROUUACIJSA-N 0 0 448.566 2.809 50 0 IFAARN COc1ccc(CNC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(C)c2=O)cc1 ZINC000015779940 556551154 /nfs/dbraw/zinc/55/11/54/556551154.db2.gz XOSKWSSFHJGEDN-UHFFFAOYSA-N 0 0 431.496 2.685 50 0 IFAARN CCC(CC)(CNC(=O)c1ccccc1N(C)S(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000072305486 556553212 /nfs/dbraw/zinc/55/32/12/556553212.db2.gz ULFVTTNFWIJPMQ-UHFFFAOYSA-N 0 0 427.567 2.896 50 0 IFAARN CSc1nc2nc(C)c(CC(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)c(C)n2n1 ZINC000015826231 556554259 /nfs/dbraw/zinc/55/42/59/556554259.db2.gz BJDNIGPWYIOPEZ-CQSZACIVSA-N 0 0 436.545 2.806 50 0 IFAARN COc1ccc(CN(C(=O)c2cc(=O)c3cc(C)ccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000015831128 556554687 /nfs/dbraw/zinc/55/46/87/556554687.db2.gz VBAQZAWEEMSAHA-KRWDZBQOSA-N 0 0 441.505 2.940 50 0 IFAARN COc1ccc(OC)c(CNC(=O)CCn2cnc3onc(-c4ccccc4)c3c2=O)c1 ZINC000033250117 556557014 /nfs/dbraw/zinc/55/70/14/556557014.db2.gz JLRMKMIZLBWHGA-UHFFFAOYSA-N 0 0 434.452 2.775 50 0 IFAARN CCOC(=O)C[C@@H](c1cc(Br)ccc1OC)c1oc(CO)cc(=O)c1O ZINC000071279378 556557301 /nfs/dbraw/zinc/55/73/01/556557301.db2.gz IMJQOZKIGAAFTA-ZDUSSCGKSA-N 0 0 427.247 2.694 50 0 IFAARN CCCN1c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2S(=O)(=O)N=C1C ZINC000015867593 556559443 /nfs/dbraw/zinc/55/94/43/556559443.db2.gz HCBYUBUSNKRWTE-UHFFFAOYSA-N 0 0 440.569 2.982 50 0 IFAARN COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1cccnc1OC ZINC000072306783 556560517 /nfs/dbraw/zinc/56/05/17/556560517.db2.gz QPTIDDJTFYSWAA-MRXNPFEDSA-N 0 0 432.274 2.848 50 0 IFAARN COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1cccnc1OC ZINC000072306782 556560635 /nfs/dbraw/zinc/56/06/35/556560635.db2.gz QPTIDDJTFYSWAA-INIZCTEOSA-N 0 0 432.274 2.848 50 0 IFAARN COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3ccc(F)cc3)[nH]c2=O)cc1 ZINC000015882035 556560880 /nfs/dbraw/zinc/56/08/80/556560880.db2.gz WWAZELCOPXBACR-UHFFFAOYSA-N 0 0 426.433 2.770 50 0 IFAARN CCC[C@H](C(=O)Nc1ccc(CC(=O)N(C)C)cc1)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072308058 556563705 /nfs/dbraw/zinc/56/37/05/556563705.db2.gz YSLBCVDRBZKXPQ-HXUWFJFHSA-N 0 0 446.592 2.977 50 0 IFAARN CN(CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)Cc1cccc(O)c1 ZINC000072308181 556564394 /nfs/dbraw/zinc/56/43/94/556564394.db2.gz LIZPENRIJCMOIB-XDHOZWIPSA-N 0 0 443.500 2.816 50 0 IFAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCNC(=O)c1ccco1 ZINC000032908610 556565448 /nfs/dbraw/zinc/56/54/48/556565448.db2.gz VCHIDQNIALANSX-INIZCTEOSA-N 0 0 426.300 2.887 50 0 IFAARN CCN(C(=O)CN1CCCN(Cc2ccccc2)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000072308373 556566245 /nfs/dbraw/zinc/56/62/45/556566245.db2.gz OSYGPFIVUSLWEA-NRFANRHFSA-N 0 0 441.597 2.939 50 0 IFAARN COc1cccc(N(CC(=O)Nc2ccccc2C(N)=O)S(=O)(=O)c2ccccc2)c1 ZINC000015945954 556567098 /nfs/dbraw/zinc/56/70/98/556567098.db2.gz YGZQHGCMSFQIOD-UHFFFAOYSA-N 0 0 439.493 2.628 50 0 IFAARN CC1(C)CN(CC(=O)NCc2ccco2)c2ccccc2N1CC(=O)NCc1ccco1 ZINC000072308932 556568188 /nfs/dbraw/zinc/56/81/88/556568188.db2.gz BPKMTAHWYVRIIE-UHFFFAOYSA-N 0 0 436.512 2.910 50 0 IFAARN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc2)c1 ZINC000032960733 556570788 /nfs/dbraw/zinc/57/07/88/556570788.db2.gz FEKKZVDYRQEYLX-UHFFFAOYSA-N 0 0 444.451 2.941 50 0 IFAARN CCCCNC(=O)COC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000015982016 556570897 /nfs/dbraw/zinc/57/08/97/556570897.db2.gz HNTQMHVEJPZJMR-UHFFFAOYSA-N 0 0 445.497 2.614 50 0 IFAARN CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000016000911 556572859 /nfs/dbraw/zinc/57/28/59/556572859.db2.gz QDIVEPMMRUVSFG-KRWDZBQOSA-N 0 0 437.496 2.931 50 0 IFAARN COc1cc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1 ZINC000032910544 556576226 /nfs/dbraw/zinc/57/62/26/556576226.db2.gz JCLPPWVWLMQYQK-UHFFFAOYSA-N 0 0 430.501 2.518 50 0 IFAARN Cc1ccc(OC[C@H](O)CN2CCN(C[C@H](O)COc3ccc(C)cc3C)CC2)c(C)c1 ZINC000022942680 556578562 /nfs/dbraw/zinc/57/85/62/556578562.db2.gz NZKIJLNQPNZRLF-PSWAGMNNSA-N 0 0 442.600 2.717 50 0 IFAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000016044810 556578961 /nfs/dbraw/zinc/57/89/61/556578961.db2.gz NHPSDUVOHNOENT-UHFFFAOYSA-N 0 0 432.586 2.725 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)cc1 ZINC000016045869 556579523 /nfs/dbraw/zinc/57/95/23/556579523.db2.gz VTTRRRHSQFASEO-UHFFFAOYSA-N 0 0 427.276 2.980 50 0 IFAARN COc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(C(=O)c1ccco1)CC2 ZINC000034757708 556581997 /nfs/dbraw/zinc/58/19/97/556581997.db2.gz KRFYMIUDXSQVMJ-UHFFFAOYSA-N 0 0 436.468 2.906 50 0 IFAARN O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000016104257 556583298 /nfs/dbraw/zinc/58/32/98/556583298.db2.gz XBAMMEPXCNYVHW-AWEZNQCLSA-N 0 0 428.388 2.939 50 0 IFAARN COc1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)NCCCO)cc1 ZINC000016115246 556583566 /nfs/dbraw/zinc/58/35/66/556583566.db2.gz SFFNLLQGUAETOX-QGOAFFKASA-N 0 0 433.302 2.727 50 0 IFAARN C[C@H](C(=O)N1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000034856277 556584038 /nfs/dbraw/zinc/58/40/38/556584038.db2.gz HHQQKWUXXREZKX-MRXNPFEDSA-N 0 0 433.961 2.624 50 0 IFAARN CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3Br)nc2)CC1 ZINC000034857984 556584087 /nfs/dbraw/zinc/58/40/87/556584087.db2.gz YCSBYLLTABVKPF-UHFFFAOYSA-N 0 0 430.299 2.712 50 0 IFAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)NCC(F)(F)F ZINC000032911278 556584881 /nfs/dbraw/zinc/58/48/81/556584881.db2.gz GKDXAPGACSVJIL-NSHDSACASA-N 0 0 436.431 2.974 50 0 IFAARN CSCC[C@H](C(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C)N1C(=O)c2ccccc2C1=O ZINC000034878959 556585369 /nfs/dbraw/zinc/58/53/69/556585369.db2.gz CBIUMCNXKYONIF-ZTFGCOKTSA-N 0 0 432.542 2.642 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)N1CCCc2ccccc21 ZINC000034886214 556585542 /nfs/dbraw/zinc/58/55/42/556585542.db2.gz SSIUBDNWCQBJEN-UHFFFAOYSA-N 0 0 439.990 2.687 50 0 IFAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CN1C(=O)COc2ccccc21 ZINC000032966502 556587484 /nfs/dbraw/zinc/58/74/84/556587484.db2.gz WXKQLVKOUICENX-UHFFFAOYSA-N 0 0 429.889 2.984 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CC(OCC(F)F)C3)CC2)c(C)c1 ZINC000072311788 556590945 /nfs/dbraw/zinc/59/09/45/556590945.db2.gz RANNCMLHOCRVDF-UHFFFAOYSA-N 0 0 430.517 2.505 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000016214097 556591410 /nfs/dbraw/zinc/59/14/10/556591410.db2.gz YRIFMJMGWMUSJA-UHFFFAOYSA-N 0 0 448.516 2.823 50 0 IFAARN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000016234569 556593722 /nfs/dbraw/zinc/59/37/22/556593722.db2.gz PUWDFHGAAUFVPT-UHFFFAOYSA-N 0 0 446.573 2.679 50 0 IFAARN Cc1cc(OCC(=O)NCc2ccc(N3CCCC3=O)cc2)c(C(C)C)cc1-n1cnnn1 ZINC000016268205 556596047 /nfs/dbraw/zinc/59/60/47/556596047.db2.gz GEVUFOFAQBJZNK-UHFFFAOYSA-N 0 0 448.527 2.916 50 0 IFAARN C[C@@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)c1ccc(F)c(F)c1 ZINC000016279276 556596510 /nfs/dbraw/zinc/59/65/10/556596510.db2.gz DAZHYGAKCBPJCQ-GFCCVEGCSA-N 0 0 436.436 2.598 50 0 IFAARN CCCCCCN(CCN1CCOCC1)c1ncnc2c1c(Br)nn2C ZINC000072312219 556598055 /nfs/dbraw/zinc/59/80/55/556598055.db2.gz WSVSXPWODAHWNY-UHFFFAOYSA-N 0 0 425.375 2.845 50 0 IFAARN COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NCc1ccccc1 ZINC000032975783 556600391 /nfs/dbraw/zinc/60/03/91/556600391.db2.gz SKIOFRRCXOKHBC-OALUTQOASA-N 0 0 442.537 2.849 50 0 IFAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000032975704 556600432 /nfs/dbraw/zinc/60/04/32/556600432.db2.gz NAJIFUXAVRXACK-QZTJIDSGSA-N 0 0 434.558 2.935 50 0 IFAARN CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)NCCc1ccccc1 ZINC000016361342 556602574 /nfs/dbraw/zinc/60/25/74/556602574.db2.gz NWBAZLCBKAEZKT-UHFFFAOYSA-N 0 0 443.598 2.783 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000016393540 556604988 /nfs/dbraw/zinc/60/49/88/556604988.db2.gz SDVLAQOOPRAMKP-UHFFFAOYSA-N 0 0 448.516 2.823 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)cc1OC ZINC000016400649 556605765 /nfs/dbraw/zinc/60/57/65/556605765.db2.gz RAIFDWASPPAFDG-UHFFFAOYSA-N 0 0 432.542 2.560 50 0 IFAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)NCc3cccnc3)s2)cc1 ZINC000032986975 556606714 /nfs/dbraw/zinc/60/67/14/556606714.db2.gz FKQJSJJPKSIUJZ-UHFFFAOYSA-N 0 0 429.527 2.744 50 0 IFAARN COc1ccc(CNC(=O)COCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000032987585 556607984 /nfs/dbraw/zinc/60/79/84/556607984.db2.gz HJEKZJDSDMYKCK-UHFFFAOYSA-N 0 0 430.461 2.771 50 0 IFAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(I)ccc1OCC ZINC000016447702 556608032 /nfs/dbraw/zinc/60/80/32/556608032.db2.gz TWGFEPGHBCPNEU-AWEZNQCLSA-N 0 0 430.242 2.881 50 0 IFAARN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(I)cc3)ccc21 ZINC000016447697 556608085 /nfs/dbraw/zinc/60/80/85/556608085.db2.gz MPLDLAOIHIGOEU-UHFFFAOYSA-N 0 0 430.223 2.537 50 0 IFAARN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000032915290 556611898 /nfs/dbraw/zinc/61/18/98/556611898.db2.gz XXEIBBNJIFXSJD-MRXNPFEDSA-N 0 0 447.601 2.546 50 0 IFAARN O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000016522049 556613805 /nfs/dbraw/zinc/61/38/05/556613805.db2.gz YNWNEKYQPSXEOY-UHFFFAOYSA-N 0 0 426.897 2.852 50 0 IFAARN Cc1cc(NC(=O)[C@@H](OC(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)no1 ZINC000016563111 556615298 /nfs/dbraw/zinc/61/52/98/556615298.db2.gz SOQCTYZKCWHVBY-FQEVSTJZSA-N 0 0 433.420 2.892 50 0 IFAARN CSc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1C(=O)N1CCOCC1 ZINC000016625224 556618689 /nfs/dbraw/zinc/61/86/89/556618689.db2.gz JMAUVZHBGNUYKZ-UHFFFAOYSA-N 0 0 449.554 2.640 50 0 IFAARN O=C1Nc2ccccc2/C1=c1\sc2n(c1=O)[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000033662840 556620012 /nfs/dbraw/zinc/62/00/12/556620012.db2.gz DHODWVJCTVYWEF-PGVNHDJNSA-N 0 0 436.496 2.688 50 0 IFAARN CCC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000100560735 556620415 /nfs/dbraw/zinc/62/04/15/556620415.db2.gz VEYCKQZMUKJGTH-LJQANCHMSA-N 0 0 440.496 2.826 50 0 IFAARN CSCC[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1nc2ccccc2[nH]1 ZINC000016677990 556622895 /nfs/dbraw/zinc/62/28/95/556622895.db2.gz XWXWHEGKARXNJD-MRXNPFEDSA-N 0 0 429.546 2.728 50 0 IFAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc(CNC(C)=O)s3)C2=O)cc1 ZINC000016680261 556623432 /nfs/dbraw/zinc/62/34/32/556623432.db2.gz KHFLPMASZPTEEA-JOCHJYFZSA-N 0 0 443.525 2.519 50 0 IFAARN Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1C ZINC000016684885 556625117 /nfs/dbraw/zinc/62/51/17/556625117.db2.gz IBBOIIFXUNXPHD-INIZCTEOSA-N 0 0 447.509 2.742 50 0 IFAARN CC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1 ZINC000016694346 556627935 /nfs/dbraw/zinc/62/79/35/556627935.db2.gz ZGWICPFXZBPBKN-UHFFFAOYSA-N 0 0 429.542 2.704 50 0 IFAARN CC[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(Br)cc1 ZINC000016695277 556628538 /nfs/dbraw/zinc/62/85/38/556628538.db2.gz OQJMOSNKCCELFV-MRXNPFEDSA-N 0 0 429.318 2.885 50 0 IFAARN Nc1c(Br)cccc1C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000061453447 556633683 /nfs/dbraw/zinc/63/36/83/556633683.db2.gz FQYBLWNNEIOQOT-UHFFFAOYSA-N 0 0 434.290 2.663 50 0 IFAARN CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 ZINC000409415248 556641677 /nfs/dbraw/zinc/64/16/77/556641677.db2.gz YAHFNFQPAGKEMR-RBUKOAKNSA-N 0 0 437.496 2.971 50 0 IFAARN CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(c2nn3c(nc(C)cc3=O)s2)CC1 ZINC000005148990 556642665 /nfs/dbraw/zinc/64/26/65/556642665.db2.gz CYMNULOWRRTARP-SFHVURJKSA-N 0 0 425.558 2.813 50 0 IFAARN COc1ccc(C(=O)OCC(=O)NCCC(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC000011715001 556643889 /nfs/dbraw/zinc/64/38/89/556643889.db2.gz USULNPHRCKXYSU-UHFFFAOYSA-N 0 0 440.562 2.579 50 0 IFAARN C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719803 556644729 /nfs/dbraw/zinc/64/47/29/556644729.db2.gz IZEARZACYLPZOP-GFCCVEGCSA-N 0 0 429.514 2.796 50 0 IFAARN C[C@H](C(=O)Nc1c(F)cccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719835 556645050 /nfs/dbraw/zinc/64/50/50/556645050.db2.gz JKEKUMADVFIZAT-GFCCVEGCSA-N 0 0 429.514 2.796 50 0 IFAARN COC(=O)c1cccc(Cn2cnc3c2c(=O)n(CC2CC2)c(=O)n3-c2ccc(F)cc2)c1 ZINC000037557660 556645557 /nfs/dbraw/zinc/64/55/57/556645557.db2.gz ZNIDDASZWXLGAG-UHFFFAOYSA-N 0 0 448.454 2.733 50 0 IFAARN C[C@@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(CCc3ccccc3)c(=O)c2S1 ZINC000011726654 556647604 /nfs/dbraw/zinc/64/76/04/556647604.db2.gz BAPZIGHNHFKSOG-NVXWUHKLSA-N 0 0 445.610 2.910 50 0 IFAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000016867379 556647632 /nfs/dbraw/zinc/64/76/32/556647632.db2.gz GVGKQRAWLVOGHK-QGZVFWFLSA-N 0 0 449.507 2.764 50 0 IFAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000016867380 556647692 /nfs/dbraw/zinc/64/76/92/556647692.db2.gz GVGKQRAWLVOGHK-KRWDZBQOSA-N 0 0 449.507 2.764 50 0 IFAARN O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)Nc1nccs1 ZINC000011726724 556647888 /nfs/dbraw/zinc/64/78/88/556647888.db2.gz BGSNSHAAPBFHAE-UHFFFAOYSA-N 0 0 427.870 2.979 50 0 IFAARN COc1ccc(CCNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCC4)cc1OC ZINC000016898174 556648497 /nfs/dbraw/zinc/64/84/97/556648497.db2.gz DTRIOLNNQQGWRI-ZDUSSCGKSA-N 0 0 427.526 2.884 50 0 IFAARN CN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000247959638 556650612 /nfs/dbraw/zinc/65/06/12/556650612.db2.gz DWYLVRIABMZPDY-WMZOPIPTSA-N 0 0 441.509 2.822 50 0 IFAARN Cc1oc2c(c1C(=O)Nc1ccc(S(=O)(=O)N3CCCCC3)cc1)C1=NCCN1C=N2 ZINC000100696216 556650731 /nfs/dbraw/zinc/65/07/31/556650731.db2.gz MNJNJKNFGPZWKJ-UHFFFAOYSA-N 0 0 441.513 2.751 50 0 IFAARN CCCCc1ccc(NC(=O)CSc2nc(CC)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000011758065 556652005 /nfs/dbraw/zinc/65/20/05/556652005.db2.gz ZHRDVQOFAZSMBU-UHFFFAOYSA-N 0 0 441.557 2.663 50 0 IFAARN O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000011758614 556653425 /nfs/dbraw/zinc/65/34/25/556653425.db2.gz JUTRDWVCMRWXSQ-UHFFFAOYSA-N 0 0 438.444 2.852 50 0 IFAARN COc1ccc(S(=O)(=O)NCCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000017062395 556654952 /nfs/dbraw/zinc/65/49/52/556654952.db2.gz MXFGZJVGKHVJBD-UHFFFAOYSA-N 0 0 436.574 2.705 50 0 IFAARN O=C(NCc1ccco1)[C@@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 ZINC000033006280 556655675 /nfs/dbraw/zinc/65/56/75/556655675.db2.gz GJAJNVKZATWLDK-LJQANCHMSA-N 0 0 443.507 2.966 50 0 IFAARN CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2C(=O)[O-])cc1 ZINC000033007374 556655756 /nfs/dbraw/zinc/65/57/56/556655756.db2.gz PAWLLGHTCHMCJE-UHFFFAOYSA-N 0 0 433.530 2.726 50 0 IFAARN CC(C)(C)OC(=O)N(CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C1CC1 ZINC000032927610 556656339 /nfs/dbraw/zinc/65/63/39/556656339.db2.gz BUFICUUBZRAAQR-UHFFFAOYSA-N 0 0 437.562 2.881 50 0 IFAARN CCCS(=O)(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000032928070 556656475 /nfs/dbraw/zinc/65/64/75/556656475.db2.gz OPCBBXUSYQBZIS-CQSZACIVSA-N 0 0 439.559 2.701 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2=O)c(OC)c1 ZINC000011834785 556659197 /nfs/dbraw/zinc/65/91/97/556659197.db2.gz QLKKGIJORADTNE-MWDXBVQZSA-N 0 0 432.517 2.778 50 0 IFAARN COc1cc(-c2nnc(SCC(=O)NCc3ccccc3)n2C)cc(OC)c1OC ZINC000017095906 556659582 /nfs/dbraw/zinc/65/95/82/556659582.db2.gz NHORSZXBJMWFEJ-UHFFFAOYSA-N 0 0 428.514 2.916 50 0 IFAARN Cn1c2c(cc(C(=O)NCc3ccccc3Cl)n2Cc2ccccc2)c(=O)n(C)c1=O ZINC000011845065 556660856 /nfs/dbraw/zinc/66/08/56/556660856.db2.gz QMYCIWZWEJGCDM-UHFFFAOYSA-N 0 0 436.899 2.670 50 0 IFAARN COc1c2c(cc3c1[C@@H](C(C(=O)C(F)(F)F)C(=O)C(F)(F)F)N(C)CC3)OCO2 ZINC000100747842 556661722 /nfs/dbraw/zinc/66/17/22/556661722.db2.gz SKNFOVSLASWEPF-NSHDSACASA-N 0 0 427.297 2.832 50 0 IFAARN O=C(c1ccco1)N1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 ZINC000011856786 556662365 /nfs/dbraw/zinc/66/23/65/556662365.db2.gz XYYWLNTYYUBLKY-UHFFFAOYSA-N 0 0 426.400 2.549 50 0 IFAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000011858295 556663873 /nfs/dbraw/zinc/66/38/73/556663873.db2.gz RXRIPVOHZIJEFF-UHFFFAOYSA-N 0 0 448.444 2.881 50 0 IFAARN CCOC(=O)c1ccoc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000017127598 556668963 /nfs/dbraw/zinc/66/89/63/556668963.db2.gz MJEOLSRRCIUHHY-UHFFFAOYSA-N 0 0 427.862 2.907 50 0 IFAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N(Cc1ccccc1)C(C)C ZINC000011906010 556671307 /nfs/dbraw/zinc/67/13/07/556671307.db2.gz AZIZWVZZKDBVCJ-UHFFFAOYSA-N 0 0 436.555 2.661 50 0 IFAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000011906037 556671327 /nfs/dbraw/zinc/67/13/27/556671327.db2.gz GJSLOBCVKXHFDU-UHFFFAOYSA-N 0 0 428.919 2.824 50 0 IFAARN O=C(c1cccnc1)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000011906509 556671604 /nfs/dbraw/zinc/67/16/04/556671604.db2.gz PSTAIYIPQBEABR-UHFFFAOYSA-N 0 0 437.477 2.857 50 0 IFAARN CN(Cc1cccc(F)c1)C(=O)CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000032929819 556672822 /nfs/dbraw/zinc/67/28/22/556672822.db2.gz LXZDWNNEWWKEAL-UHFFFAOYSA-N 0 0 427.881 2.824 50 0 IFAARN C[C@@H](C(=O)N1CCc2ccccc21)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000032929934 556673199 /nfs/dbraw/zinc/67/31/99/556673199.db2.gz UHVODCXEKQTCOM-KRWDZBQOSA-N 0 0 426.538 2.815 50 0 IFAARN COc1cc(CN(C(=S)NCC(=O)N2CCCC2)C2CCCC2)cc(OC)c1OC ZINC000013520968 556675926 /nfs/dbraw/zinc/67/59/26/556675926.db2.gz UBXRZSLNQMBCCG-UHFFFAOYSA-N 0 0 435.590 2.954 50 0 IFAARN Cc1ccccc1SCC(=O)NCc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC000032933024 556676081 /nfs/dbraw/zinc/67/60/81/556676081.db2.gz XLCYGXFAKPAEOP-UHFFFAOYSA-N 0 0 434.583 2.549 50 0 IFAARN Cc1nn2c(nc(CSc3nnnn3-c3ccc(OC(F)(F)F)cc3)cc2=O)s1 ZINC000032936565 556678759 /nfs/dbraw/zinc/67/87/59/556678759.db2.gz MUAMFUVCJYESPT-UHFFFAOYSA-N 0 0 441.420 2.626 50 0 IFAARN COc1ccc(-c2cc(C(=O)NCc3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011997003 556679084 /nfs/dbraw/zinc/67/90/84/556679084.db2.gz QQCNIVYCBKHIHT-SFHVURJKSA-N 0 0 425.510 2.848 50 0 IFAARN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000248323069 556679845 /nfs/dbraw/zinc/67/98/45/556679845.db2.gz XMMLNGJTNAUWCH-APIJFGDWSA-N 0 0 430.954 2.728 50 0 IFAARN Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C(=O)c2c[nH]c3ccccc32)n1 ZINC000012006469 556680770 /nfs/dbraw/zinc/68/07/70/556680770.db2.gz ICVUCAHAXWFARL-UHFFFAOYSA-N 0 0 428.408 2.827 50 0 IFAARN CCOC(=O)CN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S ZINC000001810139 556683944 /nfs/dbraw/zinc/68/39/44/556683944.db2.gz NHUXORJBWICPIJ-VAWYXSNFSA-N 0 0 427.301 2.536 50 0 IFAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1N1CCOCC1 ZINC000018115471 556684121 /nfs/dbraw/zinc/68/41/21/556684121.db2.gz VZJRETWOYNYCDA-UHFFFAOYSA-N 0 0 441.557 2.764 50 0 IFAARN COc1ccc(C(=O)/N=c2\sccn2Cc2ccc(C(=O)NC3CC3)o2)cc1OC ZINC000040388625 556685810 /nfs/dbraw/zinc/68/58/10/556685810.db2.gz FULXMLUUMUEGAF-LNVKXUELSA-N 0 0 427.482 2.841 50 0 IFAARN Cc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)C1 ZINC000033021514 556686017 /nfs/dbraw/zinc/68/60/17/556686017.db2.gz UQILGDBNCMATNM-HZPDHXFCSA-N 0 0 443.525 2.754 50 0 IFAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)cc2NC1=O ZINC000033021463 556686135 /nfs/dbraw/zinc/68/61/35/556686135.db2.gz YDQINIFUDCGCBU-JKSUJKDBSA-N 0 0 449.573 2.646 50 0 IFAARN Cc1c(C#N)c(=O)n(C)c(N2CCOCC2)c1/C=C1\SC(=S)N(CCC(C)C)C1=O ZINC000002255284 556687463 /nfs/dbraw/zinc/68/74/63/556687463.db2.gz KDRIHODRNXVYPW-GZTJUZNOSA-N 0 0 446.598 2.649 50 0 IFAARN Cc1cc2ncn(C[C@H](O)CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)c2cc1C ZINC000071949254 556688756 /nfs/dbraw/zinc/68/87/56/556688756.db2.gz FUAMUSMYDLJIHB-NBGIEHNGSA-N 0 0 432.524 2.970 50 0 IFAARN C[C@H](CC(=O)NCc1cccs1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005597 556689553 /nfs/dbraw/zinc/68/95/53/556689553.db2.gz BACCLGJJJCPVSQ-AWEZNQCLSA-N 0 0 425.489 2.966 50 0 IFAARN CCOc1ccc(-n2ccn3c(CCCC(=O)NCc4cccs4)nnc3c2=O)cc1 ZINC000046005417 556689571 /nfs/dbraw/zinc/68/95/71/556689571.db2.gz MRXYEMHNEIWIKL-UHFFFAOYSA-N 0 0 437.525 2.980 50 0 IFAARN C[C@H](CC(=O)NCCc1ccccc1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005518 556689589 /nfs/dbraw/zinc/68/95/89/556689589.db2.gz KIJLKJUZSYDXGV-KRWDZBQOSA-N 0 0 433.487 2.947 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3cccc4ccccc43)C2=O)CC1 ZINC000252494305 556690598 /nfs/dbraw/zinc/69/05/98/556690598.db2.gz NRPJPARDMLBYHF-GOSISDBHSA-N 0 0 438.484 2.550 50 0 IFAARN CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)ccc21 ZINC000033023495 556693491 /nfs/dbraw/zinc/69/34/91/556693491.db2.gz NWXRIGJBYPTBHF-MRXNPFEDSA-N 0 0 433.578 2.862 50 0 IFAARN CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCC4)C3)ccc21 ZINC000033023498 556693545 /nfs/dbraw/zinc/69/35/45/556693545.db2.gz NWXRIGJBYPTBHF-INIZCTEOSA-N 0 0 433.578 2.862 50 0 IFAARN Cc1[nH]c2ccc(C(=O)Nc3cc(C(N)=O)ccc3CN3C(=O)CN(C)C3=O)cc2c1C ZINC000072313758 556694589 /nfs/dbraw/zinc/69/45/89/556694589.db2.gz MWYYNAZEZCGVIJ-UHFFFAOYSA-N 0 0 433.468 2.530 50 0 IFAARN CC[C@@H](C)NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033024435 556695227 /nfs/dbraw/zinc/69/52/27/556695227.db2.gz GPKFTNHADUTECD-GFCCVEGCSA-N 0 0 433.509 2.696 50 0 IFAARN O=C(COC(=O)c1csc2cncn21)Nc1ccccc1I ZINC000072314192 556695576 /nfs/dbraw/zinc/69/55/76/556695576.db2.gz AUSZVENBRDDUAS-UHFFFAOYSA-N 0 0 427.223 2.796 50 0 IFAARN CC(C)CCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033024598 556695906 /nfs/dbraw/zinc/69/59/06/556695906.db2.gz MXKJGDYLHMHCFC-UHFFFAOYSA-N 0 0 429.546 2.805 50 0 IFAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)N(C)C3CCCCC3)n2C)cc1 ZINC000048513724 556700183 /nfs/dbraw/zinc/70/01/83/556700183.db2.gz XISVHBVBMSUTRD-UHFFFAOYSA-N 0 0 431.562 2.888 50 0 IFAARN O=S(=O)(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccc(Cl)nc1 ZINC000013592924 556700774 /nfs/dbraw/zinc/70/07/74/556700774.db2.gz ZCIUDHREMOUVCP-UHFFFAOYSA-N 0 0 426.207 2.928 50 0 IFAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccc(F)cc2)C1 ZINC000072314586 556702524 /nfs/dbraw/zinc/70/25/24/556702524.db2.gz XRLXIHQWGFPPJV-SFHVURJKSA-N 0 0 425.507 2.698 50 0 IFAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2cccc(F)c2)C1 ZINC000072314583 556702592 /nfs/dbraw/zinc/70/25/92/556702592.db2.gz QHKZGZWCDNLDIL-GOSISDBHSA-N 0 0 425.507 2.698 50 0 IFAARN C[C@]1(c2ccsc2)NC(=O)N(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1=O ZINC000060346610 556716321 /nfs/dbraw/zinc/71/63/21/556716321.db2.gz VNDDUBRBLRDWAA-OAQYLSRUSA-N 0 0 446.960 2.513 50 0 IFAARN COc1cccc(N2CCN(C(=O)CC[C@]3(Cc4cccs4)CCC(=O)N3)CC2=O)c1 ZINC000019224365 556716555 /nfs/dbraw/zinc/71/65/55/556716555.db2.gz OJMOEMMMMMYZFD-QHCPKHFHSA-N 0 0 441.553 2.604 50 0 IFAARN Cc1cc(-c2nnc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)c(C)o1 ZINC000019228151 556717415 /nfs/dbraw/zinc/71/74/15/556717415.db2.gz ZBNITIUSJSUJLD-UHFFFAOYSA-N 0 0 438.484 2.952 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)cc1OC ZINC000033037877 556723557 /nfs/dbraw/zinc/72/35/57/556723557.db2.gz KKIPHKHGCKRMGR-UHFFFAOYSA-N 0 0 449.511 2.912 50 0 IFAARN COc1ccccc1NC(=O)[C@H]1CC(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000061717468 556724404 /nfs/dbraw/zinc/72/44/04/556724404.db2.gz ASNKPJYSRCIXRC-HNNXBMFYSA-N 0 0 434.452 2.502 50 0 IFAARN CC(C)n1c2nn(S(=O)(=O)c3ccccc3C(F)(F)F)cc2c(=O)n(C(C)C)c1=O ZINC000033038390 556725261 /nfs/dbraw/zinc/72/52/61/556725261.db2.gz JFSYXYIUVPXKMK-UHFFFAOYSA-N 0 0 444.435 2.777 50 0 IFAARN O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NC1CCCCC1 ZINC000061720398 556727745 /nfs/dbraw/zinc/72/77/45/556727745.db2.gz HIDUVCVIIGDBRF-UHFFFAOYSA-N 0 0 429.952 2.672 50 0 IFAARN COC(=O)[C@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(Br)ccc1F ZINC000061720693 556728089 /nfs/dbraw/zinc/72/80/89/556728089.db2.gz LUAKAXGPUAXTNP-VFZGTOFNSA-N 0 0 425.258 2.530 50 0 IFAARN COc1cccc(CNC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1OC ZINC000072330832 556728311 /nfs/dbraw/zinc/72/83/11/556728311.db2.gz AYPCSWNZNOSCOE-MDZDMXLPSA-N 0 0 445.468 2.602 50 0 IFAARN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cnc(SC)nc2)CC1 ZINC000055035700 556732419 /nfs/dbraw/zinc/73/24/19/556732419.db2.gz FFPDXOIWMBZNCY-UHFFFAOYSA-N 0 0 446.573 2.627 50 0 IFAARN COc1cc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000080329561 556739070 /nfs/dbraw/zinc/73/90/70/556739070.db2.gz BFXHJSUVYIVXKW-MRXNPFEDSA-N 0 0 442.516 2.571 50 0 IFAARN O=C(CN1c2cccc3cccc(c23)C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019347267 556742791 /nfs/dbraw/zinc/74/27/91/556742791.db2.gz FGJIYYNXDMRLCF-UHFFFAOYSA-N 0 0 429.476 2.873 50 0 IFAARN CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O ZINC000033047518 556743032 /nfs/dbraw/zinc/74/30/32/556743032.db2.gz JRRREXFUOOYERK-DOQJBMMISA-N 0 0 447.557 2.713 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccc(Cl)cc1)=NN3Cc1ccccc1 ZINC000005226018 556744807 /nfs/dbraw/zinc/74/48/07/556744807.db2.gz JMQBHRJYRXOOON-UHFFFAOYSA-N 0 0 434.887 2.512 50 0 IFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)N[C@@H]1CCOc2ccccc21 ZINC000019353543 556744953 /nfs/dbraw/zinc/74/49/53/556744953.db2.gz AZMMWQCGCKESJW-GOSISDBHSA-N 0 0 447.582 2.988 50 0 IFAARN Cc1cc2nc(C)c(CCC(=O)OCc3cc(=O)n4cc(Cl)ccc4n3)c(C)n2n1 ZINC000019357650 556745341 /nfs/dbraw/zinc/74/53/41/556745341.db2.gz ANMWHZGBHHNBKD-UHFFFAOYSA-N 0 0 425.876 2.992 50 0 IFAARN COc1ccc(-c2nnc([C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)o2)cc1 ZINC000019357306 556745437 /nfs/dbraw/zinc/74/54/37/556745437.db2.gz VAWPTLSCYRZNAB-STQMWFEESA-N 0 0 449.460 2.856 50 0 IFAARN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3C[C@@H](C)C(=O)C[C@@H]3C)c21 ZINC000005249829 556746895 /nfs/dbraw/zinc/74/68/95/556746895.db2.gz ZXPNTKNDRGETDK-KGLIPLIRSA-N 0 0 429.517 2.910 50 0 IFAARN CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(OC)ccc2OC)n(C)c1=O ZINC000005252049 556747400 /nfs/dbraw/zinc/74/74/00/556747400.db2.gz KWTBUSJEYABNEJ-AWEZNQCLSA-N 0 0 427.505 2.502 50 0 IFAARN Cc1cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 ZINC000057464088 556747575 /nfs/dbraw/zinc/74/75/75/556747575.db2.gz DIWBIBLNZXIFIW-REGYPHIPSA-N 0 0 434.279 2.893 50 0 IFAARN CSCC[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000206246060 556748940 /nfs/dbraw/zinc/74/89/40/556748940.db2.gz CMBBQQLZOLKERP-QZTJIDSGSA-N 0 0 437.525 2.614 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)cc1Cl ZINC000096367022 556749033 /nfs/dbraw/zinc/74/90/33/556749033.db2.gz YVKVATQYRXPTAW-CQSZACIVSA-N 0 0 429.947 2.976 50 0 IFAARN COc1cc(C(=O)OCC(=O)NCc2ccc(Br)cc2)cc(OC)c1OC ZINC000072333854 556750170 /nfs/dbraw/zinc/75/01/70/556750170.db2.gz KMSVJEVKKTYVKZ-UHFFFAOYSA-N 0 0 438.274 2.948 50 0 IFAARN O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000057985993 556750355 /nfs/dbraw/zinc/75/03/55/556750355.db2.gz LDIXZQTZENGLTF-LBPRGKRZSA-N 0 0 445.385 2.903 50 0 IFAARN COc1ccc(COC[C@H](O)CNC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 ZINC000057985507 556750372 /nfs/dbraw/zinc/75/03/72/556750372.db2.gz KDAATMBJPZSJRH-LJQANCHMSA-N 0 0 425.485 2.762 50 0 IFAARN O=C(Cc1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000057994723 556751504 /nfs/dbraw/zinc/75/15/04/556751504.db2.gz FVNMYRWTLZOBMQ-UHFFFAOYSA-N 0 0 445.491 2.831 50 0 IFAARN COCCn1ncc2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)cc21 ZINC000058004830 556752334 /nfs/dbraw/zinc/75/23/34/556752334.db2.gz VTIGCHFUADRPCI-UHFFFAOYSA-N 0 0 436.921 2.839 50 0 IFAARN Cc1ccc(F)cc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000011160113 556753090 /nfs/dbraw/zinc/75/30/90/556753090.db2.gz DPAWGGAKBXRRTR-UHFFFAOYSA-N 0 0 431.533 2.568 50 0 IFAARN CCOc1ccc(OCCNC(=O)CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000058018041 556754319 /nfs/dbraw/zinc/75/43/19/556754319.db2.gz WZJPOTOQWQIDFR-GOSISDBHSA-N 0 0 435.565 2.960 50 0 IFAARN CN(C)C(=O)CNc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F ZINC000058032118 556755017 /nfs/dbraw/zinc/75/50/17/556755017.db2.gz VOUKRETYTMCGEX-UHFFFAOYSA-N 0 0 437.484 2.693 50 0 IFAARN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000058109996 556759024 /nfs/dbraw/zinc/75/90/24/556759024.db2.gz RZVUCTKEUMVOKF-KRWDZBQOSA-N 0 0 440.523 2.998 50 0 IFAARN COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2)cc1 ZINC000096376505 556760302 /nfs/dbraw/zinc/76/03/02/556760302.db2.gz NNKBTDHWSAOQBU-UHFFFAOYSA-N 0 0 445.509 2.742 50 0 IFAARN COc1ccc(CCNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000061887537 556762078 /nfs/dbraw/zinc/76/20/78/556762078.db2.gz XNOPEBZQKVKQKG-UHFFFAOYSA-N 0 0 443.503 2.850 50 0 IFAARN Cc1sc2nc(N3CCN(CC(=O)NC4CCCCC4)CC3)n3ncnc3c2c1C ZINC000061966205 556762888 /nfs/dbraw/zinc/76/28/88/556762888.db2.gz DIADUWUYVQWNEC-UHFFFAOYSA-N 0 0 427.578 2.527 50 0 IFAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCC(n3c(C)ccc3C)CC2)c1 ZINC000058159722 556764039 /nfs/dbraw/zinc/76/40/39/556764039.db2.gz SKKBGOKTBRSWLS-UHFFFAOYSA-N 0 0 434.514 2.704 50 0 IFAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000058161220 556764863 /nfs/dbraw/zinc/76/48/63/556764863.db2.gz ULQQHDNCSTZWJI-QGZVFWFLSA-N 0 0 429.542 2.531 50 0 IFAARN O=C(Nc1ccc(-n2cncn2)c(Cl)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000058163561 556766269 /nfs/dbraw/zinc/76/62/69/556766269.db2.gz JENBDMALCWIPTC-ZDUSSCGKSA-N 0 0 439.859 2.684 50 0 IFAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCC1 ZINC000001091277 556767105 /nfs/dbraw/zinc/76/71/05/556767105.db2.gz ZXDWYLKMSMCSPR-UHFFFAOYSA-N 0 0 430.526 2.661 50 0 IFAARN O=C(Nc1ncn(Cc2ccccn2)n1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000058231041 556774307 /nfs/dbraw/zinc/77/43/07/556774307.db2.gz SLLUVCVPKOXSAY-UHFFFAOYSA-N 0 0 437.463 2.732 50 0 IFAARN COc1ccc(S(=O)(=O)NCCNC(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 ZINC000058251503 556775760 /nfs/dbraw/zinc/77/57/60/556775760.db2.gz VEWNANSWQUKINV-UHFFFAOYSA-N 0 0 430.486 2.814 50 0 IFAARN CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccnn2Cc2ccsc2)cc1 ZINC000058251447 556775888 /nfs/dbraw/zinc/77/58/88/556775888.db2.gz YLFLGGGBLUNNKW-UHFFFAOYSA-N 0 0 434.543 2.699 50 0 IFAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000058268432 556777058 /nfs/dbraw/zinc/77/70/58/556777058.db2.gz MRKWHRKHMORFST-UHFFFAOYSA-N 0 0 432.590 2.728 50 0 IFAARN CCOC(=O)c1oc2ccccc2c1CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000058289773 556777745 /nfs/dbraw/zinc/77/77/45/556777745.db2.gz UUBKNMGVDIKAGL-UHFFFAOYSA-N 0 0 430.438 2.533 50 0 IFAARN COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)c(Cl)c1 ZINC000058307112 556779313 /nfs/dbraw/zinc/77/93/13/556779313.db2.gz HKVPCSFYXDDORE-UHFFFAOYSA-N 0 0 441.845 2.501 50 0 IFAARN NC(=O)c1ccn(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)n1 ZINC000058310113 556779571 /nfs/dbraw/zinc/77/95/71/556779571.db2.gz OBMXBJUJVCIYMO-INIZCTEOSA-N 0 0 432.484 2.854 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000058344549 556782189 /nfs/dbraw/zinc/78/21/89/556782189.db2.gz HNPBCRCZIPTJJA-UHFFFAOYSA-N 0 0 428.496 2.972 50 0 IFAARN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCNC(=O)c1ccc(C)c(F)c1 ZINC000058355492 556782309 /nfs/dbraw/zinc/78/23/09/556782309.db2.gz HKVZAOLCFGISBY-KSFYIVLOSA-N 0 0 439.531 2.980 50 0 IFAARN CC(C)C(=O)N1CCC[C@H](C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)C1 ZINC000058354874 556782452 /nfs/dbraw/zinc/78/24/52/556782452.db2.gz IYVWCOYDMNZMRZ-KRWDZBQOSA-N 0 0 431.968 2.527 50 0 IFAARN Cc1c2cccc(Cl)c2oc1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000058403036 556785357 /nfs/dbraw/zinc/78/53/57/556785357.db2.gz SCKCZRVPQLPCHU-UHFFFAOYSA-N 0 0 425.872 2.897 50 0 IFAARN CCN(C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000058406021 556785864 /nfs/dbraw/zinc/78/58/64/556785864.db2.gz BQCXUGPIBQAJMN-KRWDZBQOSA-N 0 0 434.583 2.901 50 0 IFAARN CC(C)OCCCNC(=O)C1CCN(C(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 ZINC000058415577 556786552 /nfs/dbraw/zinc/78/65/52/556786552.db2.gz SEOWURSJPYJSEC-UHFFFAOYSA-N 0 0 446.548 2.814 50 0 IFAARN C[C@@H]1CN(c2ccc(NC(=O)C3(NS(C)(=O)=O)CCCCC3)cc2F)C[C@@H](C)O1 ZINC000058416142 556787040 /nfs/dbraw/zinc/78/70/40/556787040.db2.gz RJSRFNXBYRYRMM-HUUCEWRRSA-N 0 0 427.542 2.630 50 0 IFAARN CC1(C)NC(=O)N(Cc2ccc(CNS(=O)(=O)C3=Cc4ccccc4CC3)cc2)C1=O ZINC000058420574 556787456 /nfs/dbraw/zinc/78/74/56/556787456.db2.gz JRMMJCAPACKUBZ-UHFFFAOYSA-N 0 0 439.537 2.924 50 0 IFAARN CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)cc1 ZINC000058441697 556789171 /nfs/dbraw/zinc/78/91/71/556789171.db2.gz UAYJKBSVWCWFDI-UHFFFAOYSA-N 0 0 448.545 2.914 50 0 IFAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000058441665 556789242 /nfs/dbraw/zinc/78/92/42/556789242.db2.gz JNQKBVZTZVQWAL-QFBILLFUSA-N 0 0 433.911 2.694 50 0 IFAARN NS(=O)(=O)c1ccc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000058511449 556789619 /nfs/dbraw/zinc/78/96/19/556789619.db2.gz GTLNSZXFABJOGJ-UHFFFAOYSA-N 0 0 427.360 2.760 50 0 IFAARN COc1cc(C(=O)O[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)ccc1OCC(N)=O ZINC000058613100 556790487 /nfs/dbraw/zinc/79/04/87/556790487.db2.gz BXZREHZKWRKKBE-GFCCVEGCSA-N 0 0 429.404 2.975 50 0 IFAARN O=C(NC[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)Nc1ccccc1 ZINC000058680309 556791199 /nfs/dbraw/zinc/79/11/99/556791199.db2.gz JHTAQDNTAZNRFL-SFHVURJKSA-N 0 0 442.541 2.936 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3Cc4ccccc4S3)CC2)cc1 ZINC000011192865 556796905 /nfs/dbraw/zinc/79/69/05/556796905.db2.gz OSCGUEGCZVOBJW-FQEVSTJZSA-N 0 0 432.567 2.682 50 0 IFAARN O=C(CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)NCC(F)(F)F ZINC000059325670 556798019 /nfs/dbraw/zinc/79/80/19/556798019.db2.gz BJCKGGGEPXPSST-UHFFFAOYSA-N 0 0 428.720 2.953 50 0 IFAARN COc1ccc(CNC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1OC ZINC000059336931 556798283 /nfs/dbraw/zinc/79/82/83/556798283.db2.gz NTAUBXMKFMQBFF-UHFFFAOYSA-N 0 0 426.473 2.832 50 0 IFAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(N)=O)n2CCc2ccccc2)cc1 ZINC000002622788 556800439 /nfs/dbraw/zinc/80/04/39/556800439.db2.gz MZTYUFAKGCRTEX-CQSZACIVSA-N 0 0 425.514 2.872 50 0 IFAARN Cc1cccc2c1ccn2CCNC(=O)CCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000072402185 556802021 /nfs/dbraw/zinc/80/20/21/556802021.db2.gz HOHGYVRGXSTWHT-UHFFFAOYSA-N 0 0 433.556 2.980 50 0 IFAARN O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000002652169 556802571 /nfs/dbraw/zinc/80/25/71/556802571.db2.gz WZDDXYONJDGZJC-UHFFFAOYSA-N 0 0 425.510 2.721 50 0 IFAARN O=c1[nH]nc(SCc2nc(-c3cc(Br)cs3)no2)n1C[C@H]1CCCO1 ZINC000059832466 556804906 /nfs/dbraw/zinc/80/49/06/556804906.db2.gz BCPJHBSMFSDKAG-SECBINFHSA-N 0 0 444.336 2.917 50 0 IFAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000059897134 556805502 /nfs/dbraw/zinc/80/55/02/556805502.db2.gz BJACUYCADKBHAL-UHFFFAOYSA-N 0 0 439.415 2.603 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2(c3ccc(F)cc3)CCCC2)c1 ZINC000060102424 556806598 /nfs/dbraw/zinc/80/65/98/556806598.db2.gz WCEHOIVKOLKQOG-UHFFFAOYSA-N 0 0 449.548 2.604 50 0 IFAARN CC(C)NC(=O)c1ccc(Cn2c(SCC(N)=O)nc3ccc(Cl)cc3c2=O)cc1 ZINC000033058707 556807762 /nfs/dbraw/zinc/80/77/62/556807762.db2.gz ZCSLAQYGCNYJNN-UHFFFAOYSA-N 0 0 444.944 2.814 50 0 IFAARN Cc1nn(CC(=O)NCc2ccccc2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033057783 556807841 /nfs/dbraw/zinc/80/78/41/556807841.db2.gz UVCXBPUDMRAKIC-UHFFFAOYSA-N 0 0 438.491 2.998 50 0 IFAARN CC(C)C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O ZINC000003321570 556810134 /nfs/dbraw/zinc/81/01/34/556810134.db2.gz RCGXCTHMJQPCAC-MRXNPFEDSA-N 0 0 429.258 2.586 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c(OC)n1 ZINC000061969830 556812429 /nfs/dbraw/zinc/81/24/29/556812429.db2.gz ABZBQIFXTFJTAK-SFHVURJKSA-N 0 0 440.544 2.534 50 0 IFAARN Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)cc1C ZINC000097943492 556813189 /nfs/dbraw/zinc/81/31/89/556813189.db2.gz DPTPGGLNGBGXIL-QFIPXVFZSA-N 0 0 445.523 2.765 50 0 IFAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5cccs5)CC4)c3CO2)cc1 ZINC000097943618 556813224 /nfs/dbraw/zinc/81/32/24/556813224.db2.gz BIBYPFRENBBHDG-GOSISDBHSA-N 0 0 437.525 2.518 50 0 IFAARN Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)cc1C ZINC000097943491 556813233 /nfs/dbraw/zinc/81/32/33/556813233.db2.gz DPTPGGLNGBGXIL-JOCHJYFZSA-N 0 0 445.523 2.765 50 0 IFAARN CCN(CCS(=O)(=O)c1ccc(Cl)cc1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003434111 556815556 /nfs/dbraw/zinc/81/55/56/556815556.db2.gz UQRVLUJWKSCNGD-UHFFFAOYSA-N 0 0 438.933 2.846 50 0 IFAARN O=C(NCCn1ccc2ccc(Br)cc21)[C@H](c1ccccc1)n1cnnn1 ZINC000072402438 556815634 /nfs/dbraw/zinc/81/56/34/556815634.db2.gz YHPDFOUYXHRELC-SFHVURJKSA-N 0 0 425.290 2.796 50 0 IFAARN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCC[C@@H]3CCO)c21 ZINC000005477881 556815808 /nfs/dbraw/zinc/81/58/08/556815808.db2.gz YBDRDFUWJHHRMP-MRXNPFEDSA-N 0 0 431.533 2.847 50 0 IFAARN CCOc1ccc(-n2ccn3c(CCCC(=O)NCCc4ccccc4)nnc3c2=O)cc1 ZINC000064591628 556825422 /nfs/dbraw/zinc/82/54/22/556825422.db2.gz KGYUMPJLTIUXSB-UHFFFAOYSA-N 0 0 445.523 2.961 50 0 IFAARN COc1cccc(OC)c1C(=O)N1CCCN([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097945167 556826535 /nfs/dbraw/zinc/82/65/35/556826535.db2.gz PBZRCJDOXHRAMI-FQEVSTJZSA-N 0 0 437.540 2.653 50 0 IFAARN Cc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccc5c(c4)OCO5)nn3C)C2)c1 ZINC000064893087 556828261 /nfs/dbraw/zinc/82/82/61/556828261.db2.gz OGWBCXNXKHQSJX-UHFFFAOYSA-N 0 0 432.480 2.586 50 0 IFAARN COC(=O)CCCC(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000019607872 556831227 /nfs/dbraw/zinc/83/12/27/556831227.db2.gz RYHJJDIKDOOIQA-QFIPXVFZSA-N 0 0 443.588 2.693 50 0 IFAARN COc1cccc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1OC ZINC000019608251 556831289 /nfs/dbraw/zinc/83/12/89/556831289.db2.gz ONJJGZJQRFRDLC-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000019633412 556833564 /nfs/dbraw/zinc/83/35/64/556833564.db2.gz CZUBYMYBCJADSX-UHFFFAOYSA-N 0 0 441.383 2.750 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3cccn3)nc(C)n2)CC1 ZINC000065361968 556834044 /nfs/dbraw/zinc/83/40/44/556834044.db2.gz SYFLUOMRJWQEIL-UHFFFAOYSA-N 0 0 427.896 2.987 50 0 IFAARN CN(c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1)S(C)(=O)=O ZINC000065362223 556834350 /nfs/dbraw/zinc/83/43/50/556834350.db2.gz MSLWAGXNNIHXGU-UHFFFAOYSA-N 0 0 425.913 2.837 50 0 IFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000019637585 556836044 /nfs/dbraw/zinc/83/60/44/556836044.db2.gz CFICMNODEGLCGX-UHFFFAOYSA-N 0 0 442.990 2.960 50 0 IFAARN COc1cc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc(OC)c1 ZINC000065365665 556836274 /nfs/dbraw/zinc/83/62/74/556836274.db2.gz QXURLMUPGVZRLG-UHFFFAOYSA-N 0 0 437.504 2.650 50 0 IFAARN Cc1cc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000072404601 556836556 /nfs/dbraw/zinc/83/65/56/556836556.db2.gz KBNRIPCPWJOTPX-SFHVURJKSA-N 0 0 427.530 2.535 50 0 IFAARN COc1ccc(CCC(=O)OCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1O ZINC000062580977 556836768 /nfs/dbraw/zinc/83/67/68/556836768.db2.gz HUAQLXXAIGCCNJ-UHFFFAOYSA-N 0 0 428.485 2.901 50 0 IFAARN COCCN(Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033069004 556838900 /nfs/dbraw/zinc/83/89/00/556838900.db2.gz NOJJDLSFPZVPOE-UHFFFAOYSA-N 0 0 433.530 2.739 50 0 IFAARN C[C@H](c1nc(Cc2ccccc2)no1)N1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000096689446 556840620 /nfs/dbraw/zinc/84/06/20/556840620.db2.gz PWJZIBYSUKSFIX-QGZVFWFLSA-N 0 0 434.496 2.951 50 0 IFAARN O=C(CCCC(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000019648026 556841025 /nfs/dbraw/zinc/84/10/25/556841025.db2.gz ADAKNPVXJKBRJF-UHFFFAOYSA-N 0 0 448.611 2.846 50 0 IFAARN CN(c1ccc(Cl)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)S(C)(=O)=O ZINC000067604739 556843946 /nfs/dbraw/zinc/84/39/46/556843946.db2.gz ARPYQGWRRXWGAW-UHFFFAOYSA-N 0 0 425.913 2.837 50 0 IFAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3nc(C)cc3C)ncn2)CC1 ZINC000067629606 556845184 /nfs/dbraw/zinc/84/51/84/556845184.db2.gz CEWDPBKDSBCQOX-UHFFFAOYSA-N 0 0 426.908 2.904 50 0 IFAARN CCCCNC(=O)CC[C@@H]1NC(=O)N(CC2(c3ccc(OC)cc3)CCOCC2)C1=O ZINC000008765027 556845618 /nfs/dbraw/zinc/84/56/18/556845618.db2.gz PHDWBIRGDILVJG-IBGZPJMESA-N 0 0 431.533 2.565 50 0 IFAARN Cc1nc(S[C@@H](C)C(=O)NCC2CCCCC2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000008769393 556845939 /nfs/dbraw/zinc/84/59/39/556845939.db2.gz XXHLQCYVTSYMHL-AWEZNQCLSA-N 0 0 447.605 2.632 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCN2C(=O)c3ccccc3C2=O)cc1 ZINC000008825044 556849126 /nfs/dbraw/zinc/84/91/26/556849126.db2.gz DWTDJXKPBJEADA-SDNWHVSQSA-N 0 0 442.493 2.527 50 0 IFAARN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)NC(=O)NC1CCCCC1 ZINC000008883674 556850716 /nfs/dbraw/zinc/85/07/16/556850716.db2.gz CVQNXXSBGAFKKV-UHFFFAOYSA-N 0 0 449.463 2.803 50 0 IFAARN COc1ccccc1-c1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)o1 ZINC000008897365 556850955 /nfs/dbraw/zinc/85/09/55/556850955.db2.gz LDGFJXSQHPRLEZ-MRXNPFEDSA-N 0 0 446.460 2.676 50 0 IFAARN COc1ccc(CCNC(=O)NC[C@@H]2CN(c3ccc(OC)c(OC)c3)C(=O)O2)cc1 ZINC000008868439 556851510 /nfs/dbraw/zinc/85/15/10/556851510.db2.gz ZHKPIFSRONPBDO-GOSISDBHSA-N 0 0 429.473 2.580 50 0 IFAARN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000008878373 556851950 /nfs/dbraw/zinc/85/19/50/556851950.db2.gz YYOKINWHIOKPNX-RDJZCZTQSA-N 0 0 429.542 2.517 50 0 IFAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)N[C@H](C)CC)CC3)c2)no1 ZINC000033086704 556857146 /nfs/dbraw/zinc/85/71/46/556857146.db2.gz XRXBWVPSKNGLAK-OAHLLOKOSA-N 0 0 434.562 2.923 50 0 IFAARN CCOC(=O)CNC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(C)cc3)s2)C1 ZINC000033113332 556859883 /nfs/dbraw/zinc/85/98/83/556859883.db2.gz DCRPFZOAQAZXBL-AWEZNQCLSA-N 0 0 431.518 2.551 50 0 IFAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000033124618 556864452 /nfs/dbraw/zinc/86/44/52/556864452.db2.gz WEWKOZGGXIOYBX-KRWDZBQOSA-N 0 0 425.416 2.574 50 0 IFAARN CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000033124608 556864502 /nfs/dbraw/zinc/86/45/02/556864502.db2.gz AHUGOQDYBATPBW-OAQYLSRUSA-N 0 0 436.487 2.878 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)cc1 ZINC000033124935 556866251 /nfs/dbraw/zinc/86/62/51/556866251.db2.gz HMZXPBDXNVBFPQ-CQSZACIVSA-N 0 0 425.416 2.954 50 0 IFAARN O=C(NCCCN1CCCC1=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000033131339 556871741 /nfs/dbraw/zinc/87/17/41/556871741.db2.gz VJIHGLFCGJRTLD-UHFFFAOYSA-N 0 0 441.981 2.647 50 0 IFAARN Cc1cc(C)cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cscn2)c1 ZINC000033138988 556872853 /nfs/dbraw/zinc/87/28/53/556872853.db2.gz XSDLYWWBMPUQPB-FQEVSTJZSA-N 0 0 429.567 2.966 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc(F)cc2F)c1=O ZINC000033140943 556876719 /nfs/dbraw/zinc/87/67/19/556876719.db2.gz NPGFGHWXLYCSFG-UHFFFAOYSA-N 0 0 449.483 2.547 50 0 IFAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O ZINC000033140940 556876753 /nfs/dbraw/zinc/87/67/53/556876753.db2.gz RNCHYECLWWJTGH-UHFFFAOYSA-N 0 0 447.948 2.922 50 0 IFAARN COc1ccc(NC(=O)NC2CCN(c3nc4ccccc4n(C)c3=O)CC2)cc1OC ZINC000033169705 556884764 /nfs/dbraw/zinc/88/47/64/556884764.db2.gz DFLHMSKVSQHRSK-UHFFFAOYSA-N 0 0 437.500 2.741 50 0 IFAARN Cc1c(N2CCC(C(=O)Nc3cccc(F)c3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000033258796 556896580 /nfs/dbraw/zinc/89/65/80/556896580.db2.gz YCGQCUMCISEBEP-UHFFFAOYSA-N 0 0 436.487 2.839 50 0 IFAARN CCn1c(=O)c(N2CCC(C(=O)N3CCCCCC3)CC2)c(C)n(-c2ccccc2)c1=O ZINC000033258724 556896595 /nfs/dbraw/zinc/89/65/95/556896595.db2.gz KQFBXHKCMBWJOT-UHFFFAOYSA-N 0 0 438.572 2.947 50 0 IFAARN CCCn1nnc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCC(C)CC4)C3)ccc21 ZINC000033262695 556900897 /nfs/dbraw/zinc/90/08/97/556900897.db2.gz NFKPDEABMBKKJE-KRWDZBQOSA-N 0 0 433.578 2.501 50 0 IFAARN Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)N4CCCCC4)C3)s2)cc1 ZINC000033263283 556901508 /nfs/dbraw/zinc/90/15/08/556901508.db2.gz RJOHKHHCSGNRHZ-INIZCTEOSA-N 0 0 441.557 2.964 50 0 IFAARN CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000033263415 556901532 /nfs/dbraw/zinc/90/15/32/556901532.db2.gz LMJDAFSFDPRIAX-HNNXBMFYSA-N 0 0 429.546 2.805 50 0 IFAARN O=C(Nc1cccc(Cl)c1)c1nnc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)s1 ZINC000033263337 556901586 /nfs/dbraw/zinc/90/15/86/556901586.db2.gz WBVZTTMETRPIJA-NSHDSACASA-N 0 0 433.921 2.575 50 0 IFAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019791170 556915202 /nfs/dbraw/zinc/91/52/02/556915202.db2.gz ATYYXEKQUDFFID-RMKNXTFCSA-N 0 0 439.581 2.942 50 0 IFAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1cccc(F)c1 ZINC000019804434 556917966 /nfs/dbraw/zinc/91/79/66/556917966.db2.gz VXEKPUOHVCVLBC-UHFFFAOYSA-N 0 0 427.505 2.969 50 0 IFAARN CN1CCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000019811865 556919415 /nfs/dbraw/zinc/91/94/15/556919415.db2.gz XLQJDFOBWLYGPT-UHFFFAOYSA-N 0 0 442.368 2.963 50 0 IFAARN Cc1cc(=O)c(C(=O)NCC2(N3CCOCC3)CCCC2)c(Cc2ccccc2F)n1C ZINC000019813091 556919434 /nfs/dbraw/zinc/91/94/34/556919434.db2.gz HUFCACZZMUMZCH-UHFFFAOYSA-N 0 0 441.547 2.798 50 0 IFAARN O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019817563 556920257 /nfs/dbraw/zinc/92/02/57/556920257.db2.gz LGMMLZHDHGLVGR-CRAIPNDOSA-N 0 0 434.452 2.861 50 0 IFAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1cccc(Br)c1 ZINC000019819740 556923017 /nfs/dbraw/zinc/92/30/17/556923017.db2.gz SLOAVDXDVQFIHW-QGZVFWFLSA-N 0 0 433.302 2.981 50 0 IFAARN COc1ccc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1OC ZINC000019832209 556927316 /nfs/dbraw/zinc/92/73/16/556927316.db2.gz CKXIJUARHLUEIU-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN COc1ccc(C(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1OC ZINC000019832216 556927359 /nfs/dbraw/zinc/92/73/59/556927359.db2.gz RQQQJCISUFLLMK-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN COc1cccc(OC)c1C(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000019855160 556931190 /nfs/dbraw/zinc/93/11/90/556931190.db2.gz WWTZYHVVHYAOIG-UHFFFAOYSA-N 0 0 430.501 2.688 50 0 IFAARN COC(=O)[C@](NCCc1ccc(OC)c(OC)c1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000019857327 556931436 /nfs/dbraw/zinc/93/14/36/556931436.db2.gz CBPHJYOBWWRXAE-FQEVSTJZSA-N 0 0 440.418 2.698 50 0 IFAARN COC(=O)[C@@](NCCc1ccc(OC)c(OC)c1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000019857325 556931474 /nfs/dbraw/zinc/93/14/74/556931474.db2.gz CBPHJYOBWWRXAE-HXUWFJFHSA-N 0 0 440.418 2.698 50 0 IFAARN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019862466 556933861 /nfs/dbraw/zinc/93/38/61/556933861.db2.gz LYPKXYUWZZZPHH-INIZCTEOSA-N 0 0 434.489 2.793 50 0 IFAARN CS(=O)(=O)c1ncc(CN2CCN(Cc3ccccc3)CC2)n1Cc1ccccc1F ZINC000019866554 556934359 /nfs/dbraw/zinc/93/43/59/556934359.db2.gz NSFGJGLVYRWNCX-UHFFFAOYSA-N 0 0 442.560 2.792 50 0 IFAARN COc1cc(COC[C@H](O)CN2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000019867244 556934662 /nfs/dbraw/zinc/93/46/62/556934662.db2.gz OQHYXWTZUJLSBC-GOSISDBHSA-N 0 0 434.508 2.551 50 0 IFAARN NC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000019868301 556934992 /nfs/dbraw/zinc/93/49/92/556934992.db2.gz XXNRLFKNKIFBRB-UHFFFAOYSA-N 0 0 435.933 2.619 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000019868620 556935206 /nfs/dbraw/zinc/93/52/06/556935206.db2.gz ZTCNSLGEONRNDO-UHFFFAOYSA-N 0 0 437.949 2.684 50 0 IFAARN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cc(F)cc(F)c2)CC3)cc1 ZINC000019885323 556938241 /nfs/dbraw/zinc/93/82/41/556938241.db2.gz WCOBJKWHDMYYPG-UHFFFAOYSA-N 0 0 441.482 2.596 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000019908895 556942654 /nfs/dbraw/zinc/94/26/54/556942654.db2.gz BSRPOOAJAUDNOT-JOCHJYFZSA-N 0 0 440.565 2.894 50 0 IFAARN CC(=O)Nc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cnn1-c1ccccc1Cl ZINC000019908688 556942688 /nfs/dbraw/zinc/94/26/88/556942688.db2.gz CNDGXWIBUPCEEO-UHFFFAOYSA-N 0 0 441.875 2.675 50 0 IFAARN COc1cc2c(cc1OC)[C@@H](CN1CCN(Cc3ccc4c(c3)OCO4)CC1)OCC2 ZINC000019933903 556950194 /nfs/dbraw/zinc/95/01/94/556950194.db2.gz CBVGGFVGOHDVCK-XMMPIXPASA-N 0 0 426.513 2.864 50 0 IFAARN CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000020030501 556968617 /nfs/dbraw/zinc/96/86/17/556968617.db2.gz CLZFNDMEJGDKRX-UHFFFAOYSA-N 0 0 443.613 2.898 50 0 IFAARN Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nn2)nc1 ZINC000072434095 556972293 /nfs/dbraw/zinc/97/22/93/556972293.db2.gz KKNHNKPLHGUPEE-UHFFFAOYSA-N 0 0 428.493 2.574 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3Cl)c(C)s2)no1 ZINC000033263949 556972361 /nfs/dbraw/zinc/97/23/61/556972361.db2.gz UATHTFUVDUGHIH-UHFFFAOYSA-N 0 0 440.934 2.663 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)cc1OC ZINC000072446669 556973514 /nfs/dbraw/zinc/97/35/14/556973514.db2.gz HXRIVSIKPZYRJC-UHFFFAOYSA-N 0 0 436.516 2.567 50 0 IFAARN COc1ccc(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)c(OC)c1 ZINC000033264891 556974790 /nfs/dbraw/zinc/97/47/90/556974790.db2.gz DORIETUAMGGLAD-UHFFFAOYSA-N 0 0 449.511 2.912 50 0 IFAARN CC1CCN(C(=O)CSc2nc3cn(C)nc3c(=O)n2Cc2ccc(F)cc2)CC1 ZINC000033265328 556975589 /nfs/dbraw/zinc/97/55/89/556975589.db2.gz ZGPNMGZNGCPWRG-UHFFFAOYSA-N 0 0 429.521 2.668 50 0 IFAARN COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCN(C)CC2)cc1 ZINC000020065958 556978164 /nfs/dbraw/zinc/97/81/64/556978164.db2.gz IQHBQJZHILCMQY-JWGURIENSA-N 0 0 432.524 2.732 50 0 IFAARN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000096983420 556978364 /nfs/dbraw/zinc/97/83/64/556978364.db2.gz CUTDHMODIKMTHS-OAHLLOKOSA-N 0 0 430.555 2.630 50 0 IFAARN COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)N(C)C)c3)[nH]n2)cc1 ZINC000020096157 556979783 /nfs/dbraw/zinc/97/97/83/556979783.db2.gz LKIMDRTUVZKBMB-UHFFFAOYSA-N 0 0 430.486 2.597 50 0 IFAARN O=C(c1cc(-c2ccccn2)n[nH]1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000033267510 556981265 /nfs/dbraw/zinc/98/12/65/556981265.db2.gz YYMZWTNHNDWFID-UHFFFAOYSA-N 0 0 440.301 2.832 50 0 IFAARN CCOCCCNC(=O)[C@H](C)n1nc(C)c2nn(-c3ccccc3)c(-n3cccc3)c2c1=O ZINC000033267362 556981874 /nfs/dbraw/zinc/98/18/74/556981874.db2.gz BYNVSTARANMPPH-SFHVURJKSA-N 0 0 448.527 2.785 50 0 IFAARN O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N[C@H]1CCC[C@@H]1Cc1ccco1 ZINC000043735679 556983739 /nfs/dbraw/zinc/98/37/39/556983739.db2.gz AUDRWADRXKYILE-PXCRPINLSA-N 0 0 437.540 2.695 50 0 IFAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCCN([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097097496 556984622 /nfs/dbraw/zinc/98/46/22/556984622.db2.gz NSJKXUDWVHWGOD-SFHVURJKSA-N 0 0 425.451 2.744 50 0 IFAARN COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)c2cccs2)cc1Cl ZINC000097123745 556990834 /nfs/dbraw/zinc/99/08/34/556990834.db2.gz XMWQTYSOCYOSJC-HUBLWGQQSA-N 0 0 426.947 2.992 50 0 IFAARN COCCOc1ccc([C@@H](C)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1OC ZINC000097165379 556994555 /nfs/dbraw/zinc/99/45/55/556994555.db2.gz MVDWKEZHKFBTAX-QGZVFWFLSA-N 0 0 442.512 2.968 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21 ZINC000020190233 556996073 /nfs/dbraw/zinc/99/60/73/556996073.db2.gz WNGQGJYYMICTJR-UHFFFAOYSA-N 0 0 435.480 2.511 50 0 IFAARN COc1ccc(-c2noc(CN3CCN(Cc4csc(C)n4)CC3)n2)c(OC)c1OC ZINC000020203906 556997973 /nfs/dbraw/zinc/99/79/73/556997973.db2.gz GAWDHHWJYMPJAR-UHFFFAOYSA-N 0 0 445.545 2.845 50 0 IFAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CCCC1 ZINC000011243573 556998474 /nfs/dbraw/zinc/99/84/74/556998474.db2.gz IAGIIZPOWRMOIK-AWEZNQCLSA-N 0 0 442.965 2.731 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000023107025 557001679 /nfs/dbraw/zinc/00/16/79/557001679.db2.gz QVFVXIULFDFDAD-IBGZPJMESA-N 0 0 431.920 2.785 50 0 IFAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1nc2ccccc2s1 ZINC000023107230 557001898 /nfs/dbraw/zinc/00/18/98/557001898.db2.gz VRRINYLRKLCNBB-KRWDZBQOSA-N 0 0 428.489 2.564 50 0 IFAARN COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)N1CCOCC1 ZINC000023107734 557002405 /nfs/dbraw/zinc/00/24/05/557002405.db2.gz NXRFVVZYJKBKPV-QFIPXVFZSA-N 0 0 433.508 2.977 50 0 IFAARN COc1ccccc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)N1CCOCC1 ZINC000023107731 557002422 /nfs/dbraw/zinc/00/24/22/557002422.db2.gz NXRFVVZYJKBKPV-JOCHJYFZSA-N 0 0 433.508 2.977 50 0 IFAARN COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCOCC2)c1 ZINC000023107688 557002436 /nfs/dbraw/zinc/00/24/36/557002436.db2.gz KWLRNCYRTHIHFR-QHCPKHFHSA-N 0 0 433.508 2.977 50 0 IFAARN C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000023108299 557003428 /nfs/dbraw/zinc/00/34/28/557003428.db2.gz IKOPDLAXYUNAKN-ZIAGYGMSSA-N 0 0 448.449 2.889 50 0 IFAARN C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000023108302 557003524 /nfs/dbraw/zinc/00/35/24/557003524.db2.gz IKOPDLAXYUNAKN-OKILXGFUSA-N 0 0 448.449 2.889 50 0 IFAARN COc1ccc(CCNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1OC ZINC000020259001 557004160 /nfs/dbraw/zinc/00/41/60/557004160.db2.gz SBOQMCUIEAYTPF-UHFFFAOYSA-N 0 0 440.452 2.963 50 0 IFAARN Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1CCN1CCOCC1 ZINC000020289519 557005718 /nfs/dbraw/zinc/00/57/18/557005718.db2.gz DZMHXMQWKNFNHX-UHFFFAOYSA-N 0 0 448.502 2.568 50 0 IFAARN O=C([C@H]1CC(Cc2cccc(F)c2)=NO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020293620 557005823 /nfs/dbraw/zinc/00/58/23/557005823.db2.gz DYQVVHAFWFBLDZ-JOCHJYFZSA-N 0 0 425.460 2.586 50 0 IFAARN COc1ccccc1-n1c(=O)n(Cc2cn3ccccc3n2)c(=O)c2c(C)cc(C)nc21 ZINC000020353635 557009450 /nfs/dbraw/zinc/00/94/50/557009450.db2.gz WYMOWDKBBOVDEJ-UHFFFAOYSA-N 0 0 427.464 2.869 50 0 IFAARN COCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000072453369 557009686 /nfs/dbraw/zinc/00/96/86/557009686.db2.gz DAPTZHGJZZUVKN-KRWDZBQOSA-N 0 0 434.452 2.990 50 0 IFAARN Cc1cc(=O)oc2cc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc12 ZINC000020412120 557014121 /nfs/dbraw/zinc/01/41/21/557014121.db2.gz CJGBLKVAFDTJSL-UHFFFAOYSA-N 0 0 436.464 2.553 50 0 IFAARN O=C(Cc1cccc2ccccc21)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 ZINC000023134546 557017441 /nfs/dbraw/zinc/01/74/41/557017441.db2.gz GZNZXRBJXQSMQE-UHFFFAOYSA-N 0 0 430.487 2.842 50 0 IFAARN Cc1nn(CCC(=O)Nc2ccc(Br)c(C)c2)c(C)c1S(=O)(=O)N(C)C ZINC000046004647 557019333 /nfs/dbraw/zinc/01/93/33/557019333.db2.gz WIZKQUHHMBBGQZ-UHFFFAOYSA-N 0 0 443.367 2.850 50 0 IFAARN Cc1nn(CCC(=O)NCc2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000046004470 557019348 /nfs/dbraw/zinc/01/93/48/557019348.db2.gz HIZHXNGXYUWOCZ-UHFFFAOYSA-N 0 0 436.553 2.766 50 0 IFAARN CCC(=O)c1ccc(OCC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1 ZINC000010707498 557019398 /nfs/dbraw/zinc/01/93/98/557019398.db2.gz RLCOMGYZVSZQJY-UHFFFAOYSA-N 0 0 432.542 2.802 50 0 IFAARN CCOC(=O)N1CCN(C(=O)COc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)CC1 ZINC000046016897 557019877 /nfs/dbraw/zinc/01/98/77/557019877.db2.gz TVFHNBQIURAKCB-UHFFFAOYSA-N 0 0 437.500 2.717 50 0 IFAARN Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2c1[C@H](C)CC2=O ZINC000010712755 557020351 /nfs/dbraw/zinc/02/03/51/557020351.db2.gz OGQXHYVYAYLVGR-OAHLLOKOSA-N 0 0 429.494 2.925 50 0 IFAARN CC(C)Oc1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)cc1 ZINC000023139205 557021020 /nfs/dbraw/zinc/02/10/20/557021020.db2.gz INHRHDSFMCOAGI-KRWDZBQOSA-N 0 0 444.557 2.965 50 0 IFAARN CC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CC1 ZINC000010736264 557022085 /nfs/dbraw/zinc/02/20/85/557022085.db2.gz RZNFLVLCSNPNDV-UHFFFAOYSA-N 0 0 429.542 2.845 50 0 IFAARN O=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)N1CCc2ccccc2C1 ZINC000023142168 557024403 /nfs/dbraw/zinc/02/44/03/557024403.db2.gz WHHQHWQWWBPBCZ-UHFFFAOYSA-N 0 0 436.537 2.669 50 0 IFAARN CCOc1ccccc1C(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1 ZINC000023141819 557024460 /nfs/dbraw/zinc/02/44/60/557024460.db2.gz TUJDAWLXZQCZJV-UHFFFAOYSA-N 0 0 449.602 2.516 50 0 IFAARN C[C@H](NC(=O)Cn1nc(C(=O)N2CCN(C)CC2)cc1-c1cccs1)c1ccccc1 ZINC000023142268 557024554 /nfs/dbraw/zinc/02/45/54/557024554.db2.gz SNUNBRIKDIFWNF-KRWDZBQOSA-N 0 0 437.569 2.877 50 0 IFAARN CCn1c2ccccc2n(CC(=O)N(C)CC(=O)Nc2ccccc2Br)c1=O ZINC000010751285 557025037 /nfs/dbraw/zinc/02/50/37/557025037.db2.gz GYJMHDLIKGFFRB-UHFFFAOYSA-N 0 0 445.317 2.683 50 0 IFAARN NC(=O)c1ccsc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000010771734 557025877 /nfs/dbraw/zinc/02/58/77/557025877.db2.gz GYYAIOXCIFWAHU-VIFPVBQESA-N 0 0 433.964 2.601 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1cncc(Br)c1 ZINC000010774684 557025912 /nfs/dbraw/zinc/02/59/12/557025912.db2.gz FZYLPEPMKBUEAU-UHFFFAOYSA-N 0 0 430.349 2.620 50 0 IFAARN COC(=O)Cn1c(=O)c2ccccc2nc1S[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000010771795 557025916 /nfs/dbraw/zinc/02/59/16/557025916.db2.gz LZSDYNWOIZJGEC-IBGZPJMESA-N 0 0 441.484 2.821 50 0 IFAARN COc1cccc(-n2ccn3c(S[C@@H](C)C(=O)NCc4cccs4)nnc3c2=O)c1 ZINC000046047656 557028085 /nfs/dbraw/zinc/02/80/85/557028085.db2.gz VUEKKLMHXXOMEF-ZDUSSCGKSA-N 0 0 441.538 2.747 50 0 IFAARN O=C(COC(=O)c1ccc(Br)o1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000010801399 557028125 /nfs/dbraw/zinc/02/81/25/557028125.db2.gz FXCPXDKIQVVENJ-UHFFFAOYSA-N 0 0 425.279 2.994 50 0 IFAARN COc1cccc(-n2ccn3c(S[C@H](C)C(=O)NCc4cccs4)nnc3c2=O)c1 ZINC000046047659 557028129 /nfs/dbraw/zinc/02/81/29/557028129.db2.gz VUEKKLMHXXOMEF-CYBMUJFWSA-N 0 0 441.538 2.747 50 0 IFAARN Cc1cc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)ccc1Br ZINC000010833761 557033053 /nfs/dbraw/zinc/03/30/53/557033053.db2.gz JLAQBCQFPKAHQZ-OAHLLOKOSA-N 0 0 441.347 2.978 50 0 IFAARN Cn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000032946656 557033120 /nfs/dbraw/zinc/03/31/20/557033120.db2.gz VGAXINPAKPAMOU-UHFFFAOYSA-N 0 0 444.460 2.970 50 0 IFAARN CNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c2ccccc12 ZINC000046081314 557035648 /nfs/dbraw/zinc/03/56/48/557035648.db2.gz SWOADZJRYKDOSA-UHFFFAOYSA-N 0 0 432.249 2.901 50 0 IFAARN O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)NCc1ccccc1Cl ZINC000017189721 557035679 /nfs/dbraw/zinc/03/56/79/557035679.db2.gz HMAMYNVEKOMJBY-UHFFFAOYSA-N 0 0 434.883 2.576 50 0 IFAARN CC(C)[C@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O ZINC000032947200 557038729 /nfs/dbraw/zinc/03/87/29/557038729.db2.gz RCZKUKOBUCVMPP-NEPJUHHUSA-N 0 0 442.379 2.793 50 0 IFAARN CC(C)CCNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O ZINC000032947229 557039061 /nfs/dbraw/zinc/03/90/61/557039061.db2.gz GGFYCQBVXCKGHX-LBPRGKRZSA-N 0 0 442.379 2.794 50 0 IFAARN CC[C@@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O ZINC000032947222 557039063 /nfs/dbraw/zinc/03/90/63/557039063.db2.gz AJTFAPPQWZJZOY-MNOVXSKESA-N 0 0 428.352 2.547 50 0 IFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000046145386 557043640 /nfs/dbraw/zinc/04/36/40/557043640.db2.gz ABUZZJRCFLDILH-UHFFFAOYSA-N 0 0 438.933 2.697 50 0 IFAARN COc1cc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(C)CC2)cc(OC)c1OC ZINC000023181022 557045124 /nfs/dbraw/zinc/04/51/24/557045124.db2.gz ZCMQJXCCVGNOGG-FOIQADDNSA-N 0 0 433.574 2.881 50 0 IFAARN CC(C)Oc1ncccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000048234954 557046371 /nfs/dbraw/zinc/04/63/71/557046371.db2.gz NIKJSDHVQUQSTE-UHFFFAOYSA-N 0 0 426.498 2.995 50 0 IFAARN COc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000048234725 557046473 /nfs/dbraw/zinc/04/64/73/557046473.db2.gz GLGZMKOANBUOOG-LJQANCHMSA-N 0 0 442.560 2.800 50 0 IFAARN O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000048260567 557049212 /nfs/dbraw/zinc/04/92/12/557049212.db2.gz RNDQIIQOXZOIBO-UHFFFAOYSA-N 0 0 441.509 2.968 50 0 IFAARN Cc1ccccc1C(=O)NC1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000048260569 557049285 /nfs/dbraw/zinc/04/92/85/557049285.db2.gz NOOLUYJOJONHHC-LJQANCHMSA-N 0 0 426.561 2.644 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(-n4cccn4)c3)CC2)s1 ZINC000048250578 557051556 /nfs/dbraw/zinc/05/15/56/557051556.db2.gz BLEQEKCXMDUZAL-UHFFFAOYSA-N 0 0 431.543 2.781 50 0 IFAARN CN(CCc1noc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)C(=O)CC1CCCC1 ZINC000033273667 557052194 /nfs/dbraw/zinc/05/21/94/557052194.db2.gz XUHZWJAHGMZUFN-UHFFFAOYSA-N 0 0 426.517 2.790 50 0 IFAARN COc1ccc(CN(Cc2csc(-c3ncccn3)n2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000048290190 557055047 /nfs/dbraw/zinc/05/50/47/557055047.db2.gz QAIWLOIHNZOJEA-KRWDZBQOSA-N 0 0 430.555 2.798 50 0 IFAARN C[C@@H]1CCc2nc(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)sc2C1 ZINC000022972186 557055169 /nfs/dbraw/zinc/05/51/69/557055169.db2.gz XAGNLBUSNVEALG-OAHLLOKOSA-N 0 0 428.558 2.753 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(C)Cc2nc3cc(C(=O)N(C)C)ccc3n2CC)cc1 ZINC000033275876 557055263 /nfs/dbraw/zinc/05/52/63/557055263.db2.gz MSERBDJZPMWSFZ-UHFFFAOYSA-N 0 0 444.557 2.977 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c2cccnc2c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000017316056 557056927 /nfs/dbraw/zinc/05/69/27/557056927.db2.gz YJEDLBKPVCQNRJ-UHFFFAOYSA-N 0 0 444.491 2.952 50 0 IFAARN COc1ccc2c(COC(=O)C3(CC(=O)N4CCOCC4)CCCC3)cc(=O)oc2c1 ZINC000023026309 557058060 /nfs/dbraw/zinc/05/80/60/557058060.db2.gz PNXAOQQJBLPDOJ-UHFFFAOYSA-N 0 0 429.469 2.654 50 0 IFAARN COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccc(Cl)cc1 ZINC000023038097 557058411 /nfs/dbraw/zinc/05/84/11/557058411.db2.gz ZICVKOCZJFFBBI-PCMMCCAGSA-N 0 0 435.908 2.561 50 0 IFAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2CCSCC2)cn3C2CC2)CC1 ZINC000051364371 557059009 /nfs/dbraw/zinc/05/90/09/557059009.db2.gz KXOAOWZMCQIADZ-UHFFFAOYSA-N 0 0 444.576 2.806 50 0 IFAARN CSc1nc(C)c(CCC(=O)O[C@H](Cn2cncn2)c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000048304310 557059113 /nfs/dbraw/zinc/05/91/13/557059113.db2.gz NSYUYODLBDDPOA-MRXNPFEDSA-N 0 0 433.921 2.962 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccccc4)C3)c2)no1 ZINC000033279288 557061765 /nfs/dbraw/zinc/06/17/65/557061765.db2.gz GOJQWMNARDBPBB-INIZCTEOSA-N 0 0 446.554 2.824 50 0 IFAARN COc1cc(NC(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cc(OC)c1 ZINC000082230684 557061771 /nfs/dbraw/zinc/06/17/71/557061771.db2.gz BJDGXWPSBNKMHA-UHFFFAOYSA-N 0 0 426.521 2.838 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4)C3)c2)no1 ZINC000033279287 557061868 /nfs/dbraw/zinc/06/18/68/557061868.db2.gz GOJQWMNARDBPBB-MRXNPFEDSA-N 0 0 446.554 2.824 50 0 IFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccccn4)C3)c2)no1 ZINC000033279295 557062320 /nfs/dbraw/zinc/06/23/20/557062320.db2.gz OUHXNZPSLDDEPW-CYBMUJFWSA-N 0 0 433.515 2.541 50 0 IFAARN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000048301041 557062638 /nfs/dbraw/zinc/06/26/38/557062638.db2.gz XUTVPTZUKFHCOL-MRXNPFEDSA-N 0 0 437.479 2.583 50 0 IFAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000023082445 557063192 /nfs/dbraw/zinc/06/31/92/557063192.db2.gz LWUMLJFRFRQJEQ-UHFFFAOYSA-N 0 0 443.617 2.640 50 0 IFAARN Cc1nccn1-c1cc(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccn1 ZINC000048314795 557064707 /nfs/dbraw/zinc/06/47/07/557064707.db2.gz NATOFZIYOPPXMH-UFYCRDLUSA-N 0 0 435.528 2.558 50 0 IFAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)C1=O ZINC000023121308 557064747 /nfs/dbraw/zinc/06/47/47/557064747.db2.gz HYVRMOKNTNIKBB-SFHVURJKSA-N 0 0 435.506 2.629 50 0 IFAARN O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccc(Cl)cc1)N1CCN(CCO)CC1 ZINC000023119698 557064814 /nfs/dbraw/zinc/06/48/14/557064814.db2.gz CLNSSYSGSRQJEL-FYYLOGMGSA-N 0 0 427.932 2.716 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCN1C(=O)CSc2ccccc21 ZINC000017342987 557066432 /nfs/dbraw/zinc/06/64/32/557066432.db2.gz ULDYOCNBLYUDRR-UHFFFAOYSA-N 0 0 430.482 2.958 50 0 IFAARN Cc1nc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)sc1C ZINC000048333138 557068050 /nfs/dbraw/zinc/06/80/50/557068050.db2.gz PIHNCYBWORBUKV-UHFFFAOYSA-N 0 0 443.510 2.983 50 0 IFAARN O=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccc(-n2cncn2)cc1C(F)(F)F ZINC000048333632 557068483 /nfs/dbraw/zinc/06/84/83/557068483.db2.gz OGWOUMXNAQHBHP-UHFFFAOYSA-N 0 0 447.421 2.839 50 0 IFAARN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)N2CCOCC2)cc1 ZINC000023156036 557070228 /nfs/dbraw/zinc/07/02/28/557070228.db2.gz KBWIFHBECUTUFB-MGPUTAFESA-N 0 0 441.553 2.931 50 0 IFAARN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)N2CCOCC2)cc1 ZINC000023156039 557070265 /nfs/dbraw/zinc/07/02/65/557070265.db2.gz KBWIFHBECUTUFB-QRWLVFNGSA-N 0 0 441.553 2.931 50 0 IFAARN Cc1c2c(=O)[nH]n(C)c2[nH]c(=O)c1CCC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000048341161 557070470 /nfs/dbraw/zinc/07/04/70/557070470.db2.gz KMWFRJZMIGPTLA-UHFFFAOYSA-N 0 0 426.492 2.563 50 0 IFAARN Cc1ccc(-c2nnc(CSc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)o2)cc1 ZINC000023172484 557070648 /nfs/dbraw/zinc/07/06/48/557070648.db2.gz NVLUELVYRNVGRH-UHFFFAOYSA-N 0 0 445.570 2.668 50 0 IFAARN O=C(NCCc1ccccc1)c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000033292330 557070622 /nfs/dbraw/zinc/07/06/22/557070622.db2.gz DHPURKOMNOHNMQ-UHFFFAOYSA-N 0 0 440.525 2.884 50 0 IFAARN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048353934 557072257 /nfs/dbraw/zinc/07/22/57/557072257.db2.gz GTJKZIDLYKXLON-GHTZIAJQSA-N 0 0 448.995 2.757 50 0 IFAARN Cn1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Br)n1 ZINC000048367180 557075212 /nfs/dbraw/zinc/07/52/12/557075212.db2.gz BSIZMMBZXPFYKN-UHFFFAOYSA-N 0 0 427.324 2.610 50 0 IFAARN COc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1S(=O)(=O)N(C)C ZINC000023228878 557075386 /nfs/dbraw/zinc/07/53/86/557075386.db2.gz ALXXUEUBWFNNSI-GOSISDBHSA-N 0 0 434.514 2.756 50 0 IFAARN O=C(NCCc1cccs1)c1nc(Cn2nc(-c3ccc(F)cc3)ccc2=O)no1 ZINC000033292503 557075719 /nfs/dbraw/zinc/07/57/19/557075719.db2.gz ATYWUYXIWBCXPJ-UHFFFAOYSA-N 0 0 425.445 2.515 50 0 IFAARN CCOc1ccc(NS(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)cc1 ZINC000085808693 557076704 /nfs/dbraw/zinc/07/67/04/557076704.db2.gz FTBMBVAZFSXGQJ-UHFFFAOYSA-N 0 0 431.474 2.500 50 0 IFAARN CCOC(=O)c1c(CC)[nH]nc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000048991692 557080736 /nfs/dbraw/zinc/08/07/36/557080736.db2.gz HPVAXVGGEDNWOW-UHFFFAOYSA-N 0 0 440.953 2.622 50 0 IFAARN CS(=O)(=O)N1CCC(C(=O)Nc2nnc(SCc3cc(F)ccc3F)s2)CC1 ZINC000048984790 557081745 /nfs/dbraw/zinc/08/17/45/557081745.db2.gz UDDAQYWXNJELDG-UHFFFAOYSA-N 0 0 448.542 2.719 50 0 IFAARN COc1ccc(CCC(=O)N2CCCN(C(=O)CCc3nc(C(C)C)no3)CC2)cc1 ZINC000072280478 557082479 /nfs/dbraw/zinc/08/24/79/557082479.db2.gz OPXONBYTLWLYMT-UHFFFAOYSA-N 0 0 428.533 2.828 50 0 IFAARN Cc1cc(C(=O)COC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)s1 ZINC000023327856 557084105 /nfs/dbraw/zinc/08/41/05/557084105.db2.gz UWSUSAVMDDVRJA-JOCHJYFZSA-N 0 0 426.494 2.874 50 0 IFAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OCc1cc(=O)n(C)c(=O)n1C ZINC000011311904 557084313 /nfs/dbraw/zinc/08/43/13/557084313.db2.gz NRPLNJXMEJCOIH-INIZCTEOSA-N 0 0 447.841 2.936 50 0 IFAARN COC(=O)c1ccc2c(c1)nc(N1CCN(C)CC1)n(-c1ccc(F)c(Cl)c1)c2=O ZINC000049006441 557085114 /nfs/dbraw/zinc/08/51/14/557085114.db2.gz QQRXHFZHRNMJGI-UHFFFAOYSA-N 0 0 430.867 2.717 50 0 IFAARN CCCNC(=O)c1ccc2c(c1)ncc(=O)n2CC(=O)Nc1cccc(Br)c1 ZINC000049008008 557085941 /nfs/dbraw/zinc/08/59/41/557085941.db2.gz URVANHFCBPHFRP-UHFFFAOYSA-N 0 0 443.301 2.938 50 0 IFAARN Cc1csc(-c2cc(S(=O)(=O)NCc3ccco3)cn2CC(=O)N2CCCC2)n1 ZINC000033307537 557086455 /nfs/dbraw/zinc/08/64/55/557086455.db2.gz XABTVBGINBYNHF-UHFFFAOYSA-N 0 0 434.543 2.614 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)c(OC)c1 ZINC000049008591 557086521 /nfs/dbraw/zinc/08/65/21/557086521.db2.gz JFRKOLXWJOXTIH-UHFFFAOYSA-N 0 0 435.440 2.648 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)c(OC)c1 ZINC000049008771 557086777 /nfs/dbraw/zinc/08/67/77/557086777.db2.gz DBHBBJLAYWOHIE-UHFFFAOYSA-N 0 0 437.481 2.698 50 0 IFAARN Cc1nc(NC(=O)[C@H](C)n2nc(-c3ccc(F)cc3)ccc2=O)sc1C(=O)N(C)C ZINC000049025909 557087823 /nfs/dbraw/zinc/08/78/23/557087823.db2.gz BTOJKGVJOKSZJE-LBPRGKRZSA-N 0 0 429.477 2.716 50 0 IFAARN Cc1nc(NC(=O)[C@@H](C)n2nc(-c3ccc(F)cc3)ccc2=O)sc1C(=O)N(C)C ZINC000049025907 557087936 /nfs/dbraw/zinc/08/79/36/557087936.db2.gz BTOJKGVJOKSZJE-GFCCVEGCSA-N 0 0 429.477 2.716 50 0 IFAARN COc1ccccc1OCCNC(=O)CCn1c(=O)c2sccc2nc1N1CCCC1 ZINC000033308858 557089799 /nfs/dbraw/zinc/08/97/99/557089799.db2.gz KMEIZIQBNKWXHZ-UHFFFAOYSA-N 0 0 442.541 2.652 50 0 IFAARN Cc1ccc2c(=O)c(C(=O)N3CCCC3)cn(CC(=O)NCc3ccccc3Cl)c2n1 ZINC000049002206 557089909 /nfs/dbraw/zinc/08/99/09/557089909.db2.gz JPDSQCKRZYUFEA-UHFFFAOYSA-N 0 0 438.915 2.911 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc3c4sc(N5CCCC5)nc4ncn3c2=O)c(Cl)c1 ZINC000033309116 557090610 /nfs/dbraw/zinc/09/06/10/557090610.db2.gz QQXFYKDDEUBRGF-UHFFFAOYSA-N 0 0 443.920 2.701 50 0 IFAARN Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCN(CC(=O)NCc1ccc2c(c1)OCO2)C3 ZINC000049003136 557090696 /nfs/dbraw/zinc/09/06/96/557090696.db2.gz KQVFPQNIQVLBLL-UHFFFAOYSA-N 0 0 439.899 2.893 50 0 IFAARN COc1cc(C(C)=O)ccc1OCC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000023409201 557090933 /nfs/dbraw/zinc/09/09/33/557090933.db2.gz RNENVOAMNZPCTB-FQEVSTJZSA-N 0 0 430.476 2.605 50 0 IFAARN CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC000023458754 557092880 /nfs/dbraw/zinc/09/28/80/557092880.db2.gz QHRLLAGTWQUIKM-UHFFFAOYSA-N 0 0 437.487 2.896 50 0 IFAARN COc1ccccc1NC(=O)NCCn1cnc2cc(S(=O)(=O)NC(C)C)ccc21 ZINC000033310082 557093232 /nfs/dbraw/zinc/09/32/32/557093232.db2.gz MSICNWNYRSAFPH-UHFFFAOYSA-N 0 0 431.518 2.553 50 0 IFAARN CC(C)NC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NC[C@@H]3CCCO3)C2)cc1 ZINC000033310211 557093593 /nfs/dbraw/zinc/09/35/93/557093593.db2.gz KQNDYAGHASHONP-LPHOPBHVSA-N 0 0 431.537 2.756 50 0 IFAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(c3noc(C)n3)CCCCC2)C1=O ZINC000023508010 557095236 /nfs/dbraw/zinc/09/52/36/557095236.db2.gz FBYRNQZJQRTGKF-QFIPXVFZSA-N 0 0 425.489 2.511 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(c2nccn3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)nc23)C1 ZINC000049400243 557095837 /nfs/dbraw/zinc/09/58/37/557095837.db2.gz VFFCURIWCGHADR-CHWSQXEVSA-N 0 0 432.887 2.805 50 0 IFAARN CCCn1cc(C(=O)NCc2cc(F)cc(F)c2)c(S(=O)(=O)N2CCC(C)CC2)n1 ZINC000049400650 557095881 /nfs/dbraw/zinc/09/58/81/557095881.db2.gz LJECLYZQGIYWKA-UHFFFAOYSA-N 0 0 440.516 2.922 50 0 IFAARN COC(=O)c1cn(Cc2c(F)cccc2Cl)nc1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000049402141 557097722 /nfs/dbraw/zinc/09/77/22/557097722.db2.gz NDLKWUOPOBDLMO-GFCCVEGCSA-N 0 0 429.901 2.931 50 0 IFAARN CCOC(=O)c1cn(Cc2ccc(F)cc2)nc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000049402262 557097737 /nfs/dbraw/zinc/09/77/37/557097737.db2.gz GRCCPDHWIDTNEC-UHFFFAOYSA-N 0 0 443.500 2.994 50 0 IFAARN CCOC(=O)c1cn(Cc2cc(F)cc(F)c2)nc1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000049402254 557097750 /nfs/dbraw/zinc/09/77/50/557097750.db2.gz QGLPBJGDENBERT-CYBMUJFWSA-N 0 0 427.473 2.807 50 0 IFAARN Cc1ccc2c(c1)N(Cc1nc(C3CC3)no1)N=C(C(=O)N1CCC(C)CC1)S2(=O)=O ZINC000049402707 557098252 /nfs/dbraw/zinc/09/82/52/557098252.db2.gz BJBQVORXDQNYSY-UHFFFAOYSA-N 0 0 443.529 2.621 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023559523 557098733 /nfs/dbraw/zinc/09/87/33/557098733.db2.gz PEABIENUDDRDDV-CQSZACIVSA-N 0 0 436.409 2.941 50 0 IFAARN COC(=O)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)cc1 ZINC000017588295 557099121 /nfs/dbraw/zinc/09/91/21/557099121.db2.gz BXPUBAJBJDCSIN-GOSISDBHSA-N 0 0 436.917 2.815 50 0 IFAARN CC1CCC(N(C)C(=O)CSc2nc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C2CC2)CC1 ZINC000023563025 557099118 /nfs/dbraw/zinc/09/91/18/557099118.db2.gz FUQWSBODTQDOLA-UHFFFAOYSA-N 0 0 443.573 2.821 50 0 IFAARN COc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2C)c(OC)c1O ZINC000072191446 557099865 /nfs/dbraw/zinc/09/98/65/557099865.db2.gz XPMUUHHTSUAWQR-UHFFFAOYSA-N 0 0 429.454 2.909 50 0 IFAARN COC(=O)c1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccn3c(C)nnc23)o1 ZINC000049404931 557100131 /nfs/dbraw/zinc/10/01/31/557100131.db2.gz BJVYVJLOKUVQCS-UHFFFAOYSA-N 0 0 444.444 2.952 50 0 IFAARN Cc1cc(C)cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 ZINC000060625287 557100890 /nfs/dbraw/zinc/10/08/90/557100890.db2.gz LJMWBZLHHYYBBG-CPNJWEJPSA-N 0 0 437.521 2.886 50 0 IFAARN O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1 ZINC000049406015 557101219 /nfs/dbraw/zinc/10/12/19/557101219.db2.gz IIUXFQYTOFFIPT-UHFFFAOYSA-N 0 0 425.439 2.509 50 0 IFAARN CCn1c(=O)c2c(ncn2CC(=O)c2cccc(OC)c2)n(-c2cccc(Cl)c2)c1=O ZINC000034693468 557101489 /nfs/dbraw/zinc/10/14/89/557101489.db2.gz PPHDXDYJACEEGZ-UHFFFAOYSA-N 0 0 438.871 2.914 50 0 IFAARN Cc1cc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@H]4C2=O)no1 ZINC000085420745 557101567 /nfs/dbraw/zinc/10/15/67/557101567.db2.gz DIWBIBLNZXIFIW-FORWCCJISA-N 0 0 434.279 2.893 50 0 IFAARN Cc1cc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@H]4C2=O)no1 ZINC000085420763 557101585 /nfs/dbraw/zinc/10/15/85/557101585.db2.gz HIRQDSRUPIDXSW-FORWCCJISA-N 0 0 434.279 2.893 50 0 IFAARN COc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 ZINC000049406187 557101566 /nfs/dbraw/zinc/10/15/66/557101566.db2.gz JTCLCPQNEXNKIH-UHFFFAOYSA-N 0 0 439.903 2.964 50 0 IFAARN COc1cccc(CC(=O)NC2CCN(C(=O)c3cn(-c4cc(C)cc(C)c4)nn3)CC2)c1 ZINC000049406380 557101577 /nfs/dbraw/zinc/10/15/77/557101577.db2.gz DKPOKKZYHFZBNC-UHFFFAOYSA-N 0 0 447.539 2.856 50 0 IFAARN Cc1ccccc1CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000023638674 557101898 /nfs/dbraw/zinc/10/18/98/557101898.db2.gz KVJJJLPLOWTPNY-UHFFFAOYSA-N 0 0 447.626 2.802 50 0 IFAARN COc1ccc(OCCN2CCN(C(=O)c3cc(Cl)c4c(c3)OCCO4)CC2)cc1 ZINC000023641225 557102161 /nfs/dbraw/zinc/10/21/61/557102161.db2.gz XOWHEJBSENTMNC-UHFFFAOYSA-N 0 0 432.904 2.957 50 0 IFAARN Cc1nc(-c2ccccn2)cc2nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)n21 ZINC000049407284 557102888 /nfs/dbraw/zinc/10/28/88/557102888.db2.gz UXIDESVOXBMEGU-UHFFFAOYSA-N 0 0 428.374 2.919 50 0 IFAARN Cc1ccc(Cl)cc1NC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O ZINC000049409152 557104024 /nfs/dbraw/zinc/10/40/24/557104024.db2.gz HRHKBEGEVJTILN-UHFFFAOYSA-N 0 0 437.949 2.869 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O ZINC000049409210 557104287 /nfs/dbraw/zinc/10/42/87/557104287.db2.gz SSUMPQIAFFFXBE-UHFFFAOYSA-N 0 0 431.558 2.923 50 0 IFAARN COc1ccc(-c2cc(C(=O)NCc3ccccc3C)[nH]n2)cc1S(=O)(=O)N(C)C ZINC000033320928 557104885 /nfs/dbraw/zinc/10/48/85/557104885.db2.gz ZUFAPEDHTYCDPR-UHFFFAOYSA-N 0 0 428.514 2.574 50 0 IFAARN COc1ccc(OC)c(C(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 ZINC000023701301 557107717 /nfs/dbraw/zinc/10/77/17/557107717.db2.gz UDMICNYHFWZHQZ-LFVRLGFBSA-N 0 0 446.500 2.567 50 0 IFAARN COc1ccc2cc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)[nH]c2c1 ZINC000585148467 557109399 /nfs/dbraw/zinc/10/93/99/557109399.db2.gz GWSPFLWMTDIIMX-UHFFFAOYSA-N 0 0 438.406 2.608 50 0 IFAARN O=C(CCSc1ccccc1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000585148456 557109452 /nfs/dbraw/zinc/10/94/52/557109452.db2.gz DLOSEMKLQUGLPV-UHFFFAOYSA-N 0 0 429.464 2.986 50 0 IFAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2N)cc1 ZINC000010921768 557109664 /nfs/dbraw/zinc/10/96/64/557109664.db2.gz QAPNFDBZNKUCFH-UHFFFAOYSA-N 0 0 433.921 2.984 50 0 IFAARN COCCn1ccc2c1cccc2OCC(=O)Nc1ccc2nnn(C(C)C)c(=O)c2c1 ZINC000409414231 557109769 /nfs/dbraw/zinc/10/97/69/557109769.db2.gz IWBRVOCRRRDZSX-UHFFFAOYSA-N 0 0 435.484 2.991 50 0 IFAARN O=C(/C=C/c1ccco1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000049491048 557109866 /nfs/dbraw/zinc/10/98/66/557109866.db2.gz JMAKDFRJVQQNII-VMPITWQZSA-N 0 0 436.917 2.986 50 0 IFAARN COc1ccc(CNC(=O)Cn2nc(-c3ccc(SC)cc3)ccc2=O)cc1OC ZINC000049545128 557111033 /nfs/dbraw/zinc/11/10/33/557111033.db2.gz WVZWRYHNSLIKAC-UHFFFAOYSA-N 0 0 425.510 2.966 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4C3)CC2)c1 ZINC000010923140 557111350 /nfs/dbraw/zinc/11/13/50/557111350.db2.gz NMJHNGQZESBKPJ-UHFFFAOYSA-N 0 0 432.567 2.936 50 0 IFAARN C[C@@H](Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)C(=O)Nc1ccccc1F ZINC000011364666 557113933 /nfs/dbraw/zinc/11/39/33/557113933.db2.gz GOZUZRHVKYXRDU-HUUCEWRRSA-N 0 0 435.525 2.552 50 0 IFAARN O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000023805404 557117074 /nfs/dbraw/zinc/11/70/74/557117074.db2.gz ZUIKTLDDXTUKRN-OAQYLSRUSA-N 0 0 441.959 2.837 50 0 IFAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023806026 557117721 /nfs/dbraw/zinc/11/77/21/557117721.db2.gz QJSURWUFXJKXER-UHFFFAOYSA-N 0 0 443.887 2.711 50 0 IFAARN COc1ccc(/C=C/C(=O)NCCN2CCN(C(=O)/C=C\c3ccc(OC)cc3)CC2)cc1 ZINC000033333645 557118293 /nfs/dbraw/zinc/11/82/93/557118293.db2.gz DWIQMYDAFYTOQN-GUZOQHLSSA-N 0 0 449.551 2.691 50 0 IFAARN CN(Cc1ccc(Br)cc1)Cn1nc([C@@H]2CCS(=O)(=O)C2)oc1=S ZINC000023844294 557119515 /nfs/dbraw/zinc/11/95/15/557119515.db2.gz AWXYWTVHDLAGEK-GFCCVEGCSA-N 0 0 432.365 2.960 50 0 IFAARN CC(=O)Nc1nc(CN2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cs1 ZINC000023866182 557121289 /nfs/dbraw/zinc/12/12/89/557121289.db2.gz MALCYRZFNGMXKB-UHFFFAOYSA-N 0 0 436.603 2.842 50 0 IFAARN CCn1c(SCC(=O)N2CCN(CCOc3ccccc3)CC2)nnc1-c1ccco1 ZINC000023866787 557121640 /nfs/dbraw/zinc/12/16/40/557121640.db2.gz LGEDOQIMOUPCKM-UHFFFAOYSA-N 0 0 441.557 2.873 50 0 IFAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CN3CCN(C(=O)C4CC4)CC3)C2=O)cc1C ZINC000023866812 557121649 /nfs/dbraw/zinc/12/16/49/557121649.db2.gz VKWWBVBBIPUAPK-AREMUKBSSA-N 0 0 446.551 2.611 50 0 IFAARN C[C@@H](OC(=O)Cn1cnc2c3ccccc3oc2c1=O)C(=O)Nc1cccnc1Cl ZINC000018461152 557121627 /nfs/dbraw/zinc/12/16/27/557121627.db2.gz SGGIYOQJKMAFJW-LLVKDONJSA-N 0 0 426.816 2.762 50 0 IFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000624088 557121650 /nfs/dbraw/zinc/12/16/50/557121650.db2.gz QTRQDJNDEKAHHF-SQWSFHKJSA-N 0 0 438.480 2.556 50 0 IFAARN COc1ccc(-n2ncc(C(=O)N(C)C[C@H]3COc4ccccc4O3)c2C(F)(F)F)nn1 ZINC000024664042 557122803 /nfs/dbraw/zinc/12/28/03/557122803.db2.gz IARLOAKIJSNHGQ-LBPRGKRZSA-N 0 0 449.389 2.602 50 0 IFAARN Cc1cc(C)n(CCCNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 ZINC000023246418 557123858 /nfs/dbraw/zinc/12/38/58/557123858.db2.gz DAQUMUYODUFFMS-UHFFFAOYSA-N 0 0 432.590 2.814 50 0 IFAARN Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000014707498 557124406 /nfs/dbraw/zinc/12/44/06/557124406.db2.gz YMRSNRRGIOXPMQ-UHFFFAOYSA-N 0 0 444.359 2.884 50 0 IFAARN O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000023908269 557124700 /nfs/dbraw/zinc/12/47/00/557124700.db2.gz NTCSWQRHWFXPPV-SFHVURJKSA-N 0 0 442.560 2.932 50 0 IFAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000017824062 557124888 /nfs/dbraw/zinc/12/48/88/557124888.db2.gz WMXGZNIHWACJJB-ZDUSSCGKSA-N 0 0 434.290 2.649 50 0 IFAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000023908803 557125310 /nfs/dbraw/zinc/12/53/10/557125310.db2.gz WEIOJXUTTSPCAR-UHFFFAOYSA-N 0 0 445.497 2.602 50 0 IFAARN CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccccc2)NC(=O)N[C@@H]1CC ZINC000023935387 557126157 /nfs/dbraw/zinc/12/61/57/557126157.db2.gz XONWMZZQKZKPEA-OAHLLOKOSA-N 0 0 438.513 2.816 50 0 IFAARN COc1ccc(CCN2C(=O)CC[C@]2(C)C(=O)NCc2ccccc2)c(OC)c1OC ZINC000006818829 557129645 /nfs/dbraw/zinc/12/96/45/557129645.db2.gz APSRTFUJTNSEHJ-XMMPIXPASA-N 0 0 426.513 2.952 50 0 IFAARN COc1ccc(-n2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2C(F)(F)F)nn1 ZINC000024050043 557134098 /nfs/dbraw/zinc/13/40/98/557134098.db2.gz VOPQYIUJAGJTRJ-UHFFFAOYSA-N 0 0 448.405 2.779 50 0 IFAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)NCCSc3ccccc3)C2=O)cc1 ZINC000024105659 557137406 /nfs/dbraw/zinc/13/74/06/557137406.db2.gz NQQOGDDGKZMTMT-QHCPKHFHSA-N 0 0 441.553 2.847 50 0 IFAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(O)cc2)N1CCCN1CCOCC1 ZINC000024148130 557138940 /nfs/dbraw/zinc/13/89/40/557138940.db2.gz TVIJWHZJRLPELF-NRFANRHFSA-N 0 0 438.455 2.905 50 0 IFAARN CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(I)cc1 ZINC000000705220 557139642 /nfs/dbraw/zinc/13/96/42/557139642.db2.gz UNYRCQYKEAODQZ-CHWSQXEVSA-N 0 0 432.258 2.600 50 0 IFAARN Cc1cc2nc(C)c(CCC(=O)N3CCN(Cc4ccc5c(c4)OCCO5)CC3)c(C)n2n1 ZINC000024179493 557139723 /nfs/dbraw/zinc/13/97/23/557139723.db2.gz GKNHMKMMSJESGZ-UHFFFAOYSA-N 0 0 449.555 2.703 50 0 IFAARN CCOc1ccccc1N1C[C@@H](C(=O)N(C)CC(=O)Nc2ccc(OC)cc2)CC1=O ZINC000018002853 557141315 /nfs/dbraw/zinc/14/13/15/557141315.db2.gz ZUITVNADKZFKKA-INIZCTEOSA-N 0 0 425.485 2.544 50 0 IFAARN CC(=O)c1cc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)oc1C ZINC000024282016 557142955 /nfs/dbraw/zinc/14/29/55/557142955.db2.gz HYFWDMSXEKXXDH-UHFFFAOYSA-N 0 0 434.514 2.691 50 0 IFAARN Cc1noc(C)c1C(=O)OCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000024293099 557143233 /nfs/dbraw/zinc/14/32/33/557143233.db2.gz VKIBMRIWLBGRSE-UHFFFAOYSA-N 0 0 446.813 2.864 50 0 IFAARN COC(=O)c1cccc(S(=O)(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000024362250 557145335 /nfs/dbraw/zinc/14/53/35/557145335.db2.gz AENTZJLTPHMBDA-UHFFFAOYSA-N 0 0 443.447 2.788 50 0 IFAARN CC1CCN(c2nnc(SCCN3C(=O)c4ccccc4S3(=O)=O)n2C2CC2)CC1 ZINC000011424332 557146286 /nfs/dbraw/zinc/14/62/86/557146286.db2.gz WREINALWBHLORQ-UHFFFAOYSA-N 0 0 447.586 2.786 50 0 IFAARN O=C(CSc1ccccc1C(=O)NCc1nnc2n1CCC2)N1CCc2ccccc21 ZINC000024444440 557146961 /nfs/dbraw/zinc/14/69/61/557146961.db2.gz XCFNZAIODXZSED-UHFFFAOYSA-N 0 0 433.537 2.836 50 0 IFAARN COc1cc(C(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)ccc1OC(C)C ZINC000011431571 557147078 /nfs/dbraw/zinc/14/70/78/557147078.db2.gz QEAXSOFOFKSLEI-UHFFFAOYSA-N 0 0 429.469 2.769 50 0 IFAARN CSCC[C@H](C(=O)NCCCc1nc2ccccc2[nH]1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000247510177 557147699 /nfs/dbraw/zinc/14/76/99/557147699.db2.gz ICJHWPJNBNCYFW-GPMSIDNRSA-N 0 0 442.585 2.909 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccn(C)n1 ZINC000024478590 557147956 /nfs/dbraw/zinc/14/79/56/557147956.db2.gz IAJPRJXSAKRXJR-LBPRGKRZSA-N 0 0 437.374 2.766 50 0 IFAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000024489821 557148392 /nfs/dbraw/zinc/14/83/92/557148392.db2.gz UNLIVUIEXOOFAM-UHFFFAOYSA-N 0 0 431.489 2.818 50 0 IFAARN Cc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)Cn3nnnc3N)CCCCC2)cc1 ZINC000000719055 557148873 /nfs/dbraw/zinc/14/88/73/557148873.db2.gz SOXQFSSTQOBKDH-UHFFFAOYSA-N 0 0 447.543 2.934 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(-n2cnnc2)ccc1Cl ZINC000016399572 557150434 /nfs/dbraw/zinc/15/04/34/557150434.db2.gz NZMWGTZNWKOTFH-UHFFFAOYSA-N 0 0 431.905 2.958 50 0 IFAARN O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000585148071 557151131 /nfs/dbraw/zinc/15/11/31/557151131.db2.gz GMQSZYSVJZBXPD-FQEVSTJZSA-N 0 0 433.464 2.862 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 ZINC000024613072 557155728 /nfs/dbraw/zinc/15/57/28/557155728.db2.gz BUUIPNQBDNTXSD-UHFFFAOYSA-N 0 0 433.505 2.965 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000024661224 557157984 /nfs/dbraw/zinc/15/79/84/557157984.db2.gz GAXKBVMLUJUPIP-AWEZNQCLSA-N 0 0 449.433 2.991 50 0 IFAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000024661219 557158039 /nfs/dbraw/zinc/15/80/39/557158039.db2.gz GAXKBVMLUJUPIP-CQSZACIVSA-N 0 0 449.433 2.991 50 0 IFAARN Cc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1Cl ZINC000095531928 557158022 /nfs/dbraw/zinc/15/80/22/557158022.db2.gz FESAVINAIRTZJW-LJQANCHMSA-N 0 0 441.915 2.827 50 0 IFAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)N3CCNC3=O)nc3ccccc3c2=O)cc1F ZINC000024713115 557160041 /nfs/dbraw/zinc/16/00/41/557160041.db2.gz WUJQGIYFKJGSCS-ZDUSSCGKSA-N 0 0 426.473 2.866 50 0 IFAARN CC(=O)NCc1ccc(C(=O)COC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)s1 ZINC000024737245 557161082 /nfs/dbraw/zinc/16/10/82/557161082.db2.gz BKSACBWNGXAENG-HNNXBMFYSA-N 0 0 437.905 2.563 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCc2nnc3ccccn32)cc1 ZINC000011547281 557162027 /nfs/dbraw/zinc/16/20/27/557162027.db2.gz KJGDMJROKAOFOZ-UHFFFAOYSA-N 0 0 441.557 2.655 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)c1 ZINC000206772091 557162151 /nfs/dbraw/zinc/16/21/51/557162151.db2.gz PDWUTZYKWHRYBG-QGZVFWFLSA-N 0 0 442.541 2.508 50 0 IFAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000024750144 557162376 /nfs/dbraw/zinc/16/23/76/557162376.db2.gz DLSHFHPMWKNCJC-UHFFFAOYSA-N 0 0 435.634 2.920 50 0 IFAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC(F)F)cc1 ZINC000024758102 557163667 /nfs/dbraw/zinc/16/36/67/557163667.db2.gz PQGIJOCEBHXMOL-AWEZNQCLSA-N 0 0 440.468 2.800 50 0 IFAARN COc1ccc(CN2CCN(CC(=O)N3CCN(c4cccc(C)c4)CC3)CC2)cc1F ZINC000024758591 557163931 /nfs/dbraw/zinc/16/39/31/557163931.db2.gz VMKOUMYGXJMDCI-UHFFFAOYSA-N 0 0 440.563 2.609 50 0 IFAARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc2c(c1)nn(C)c2OC ZINC000206799224 557164120 /nfs/dbraw/zinc/16/41/20/557164120.db2.gz UWIJVAFDRWHBEB-KBXCAEBGSA-N 0 0 427.432 2.556 50 0 IFAARN C[C@@H](C(=O)Nc1ccccc1-c1cn2ccccc2n1)n1nc(-n2cccn2)ccc1=O ZINC000206900194 557165712 /nfs/dbraw/zinc/16/57/12/557165712.db2.gz BADAEKIVYHXNIZ-INIZCTEOSA-N 0 0 425.452 2.943 50 0 IFAARN Cc1cc(S(N)(=O)=O)cc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1C ZINC000024830012 557165803 /nfs/dbraw/zinc/16/58/03/557165803.db2.gz RHZNMDYGJOMQMD-CMDGGOBGSA-N 0 0 441.553 2.841 50 0 IFAARN CCCn1c(N)c(N(CCOC)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(=O)[nH]c1=O ZINC000024770939 557165909 /nfs/dbraw/zinc/16/59/09/557165909.db2.gz XWXRNEVCBQKAFF-UHFFFAOYSA-N 0 0 446.891 2.735 50 0 IFAARN COC(=O)c1ccccc1N1C(=O)/C(=C\c2cc3c(c(OC)c2)OCO3)N(C)C1=S ZINC000023305189 557169655 /nfs/dbraw/zinc/16/96/55/557169655.db2.gz QFULWELYQJCSKX-OVCLIPMQSA-N 0 0 426.450 2.815 50 0 IFAARN COCCN(CC(=O)Nc1cccc(C)c1C)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000024832454 557170914 /nfs/dbraw/zinc/17/09/14/557170914.db2.gz AYTQPZLKIDWZQG-OAQYLSRUSA-N 0 0 439.512 2.531 50 0 IFAARN C[C@@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000024866726 557172470 /nfs/dbraw/zinc/17/24/70/557172470.db2.gz FWHZPXMEIATTRV-JZBBYPHDSA-N 0 0 435.524 2.973 50 0 IFAARN C[C@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000024866732 557172500 /nfs/dbraw/zinc/17/25/00/557172500.db2.gz FWHZPXMEIATTRV-NGVVTVSOSA-N 0 0 435.524 2.973 50 0 IFAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3nccnc3N)cc2Cl)c1 ZINC000024865935 557172583 /nfs/dbraw/zinc/17/25/83/557172583.db2.gz WIWGOIQPQVQQAE-UHFFFAOYSA-N 0 0 445.888 2.620 50 0 IFAARN COc1ccc(N2C(=O)C[C@@H](N(C)CC(=O)Nc3ccccc3Cl)C2=O)cc1OC ZINC000024844193 557173874 /nfs/dbraw/zinc/17/38/74/557173874.db2.gz OBBURKUEYQHGSH-MRXNPFEDSA-N 0 0 431.876 2.560 50 0 IFAARN CCCCc1noc([C@H](C)Sc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000024866140 557175718 /nfs/dbraw/zinc/17/57/18/557175718.db2.gz XONHKBOXCGSTQE-NSHDSACASA-N 0 0 432.550 2.904 50 0 IFAARN CC(C)C[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCOCC1 ZINC000024923437 557178947 /nfs/dbraw/zinc/17/89/47/557178947.db2.gz HQQFXSTYJQNNSL-FQEVSTJZSA-N 0 0 434.540 2.862 50 0 IFAARN CC(C)C[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCOCC1 ZINC000024923441 557179056 /nfs/dbraw/zinc/17/90/56/557179056.db2.gz HQQFXSTYJQNNSL-HXUWFJFHSA-N 0 0 434.540 2.862 50 0 IFAARN Cc1ccc(O)c(NC(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)c1 ZINC000009095836 557181718 /nfs/dbraw/zinc/18/17/18/557181718.db2.gz YUZWLHGWCNIPRR-UHFFFAOYSA-N 0 0 429.477 2.880 50 0 IFAARN CC(C)[C@@H](NC(=O)COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1cccs1 ZINC000069928931 557183110 /nfs/dbraw/zinc/18/31/10/557183110.db2.gz UEGDCLWMHSOWKG-HXUWFJFHSA-N 0 0 429.498 2.576 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@@H]3C(=O)NCc3ccncc3)no2)c1 ZINC000096210849 557183268 /nfs/dbraw/zinc/18/32/68/557183268.db2.gz QRPJUEQIDDSZNF-LJQANCHMSA-N 0 0 436.468 2.675 50 0 IFAARN COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 ZINC000024974601 557184289 /nfs/dbraw/zinc/18/42/89/557184289.db2.gz MNUAOVFMXDIKBH-KDOFPFPSSA-N 0 0 437.448 2.898 50 0 IFAARN Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000009263675 557184938 /nfs/dbraw/zinc/18/49/38/557184938.db2.gz JQAVCSQUAXOELF-UHFFFAOYSA-N 0 0 443.460 2.595 50 0 IFAARN COc1ccc(-n2c(-c3ccncc3)nn(CN3CCC[C@H]3C(=O)N(C)C)c2=S)cc1 ZINC000024988842 557187055 /nfs/dbraw/zinc/18/70/55/557187055.db2.gz VTHRRGOMWAJMKE-IBGZPJMESA-N 0 0 438.557 2.984 50 0 IFAARN O=C(N[C@@H]1CCOc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000024990013 557187313 /nfs/dbraw/zinc/18/73/13/557187313.db2.gz QWOYRZXIMWQSFN-GOSISDBHSA-N 0 0 436.917 2.615 50 0 IFAARN O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1C[C@H](O)CN1CCOCC1 ZINC000024989918 557187382 /nfs/dbraw/zinc/18/73/82/557187382.db2.gz KGTXAUYYVPVBJA-QGZVFWFLSA-N 0 0 444.329 2.519 50 0 IFAARN COc1cccc(NC(=O)COc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)c1 ZINC000024995147 557188350 /nfs/dbraw/zinc/18/83/50/557188350.db2.gz QJSGOAZTONYWOI-UHFFFAOYSA-N 0 0 426.469 2.692 50 0 IFAARN CS(=O)(=O)NCCc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1 ZINC000025001260 557188697 /nfs/dbraw/zinc/18/86/97/557188697.db2.gz RDBLFEATDFFRHD-UHFFFAOYSA-N 0 0 429.567 2.761 50 0 IFAARN COC(=O)CCCNC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000025054922 557192078 /nfs/dbraw/zinc/19/20/78/557192078.db2.gz VFVCXAIDIQQMTE-UHFFFAOYSA-N 0 0 427.910 2.504 50 0 IFAARN Cn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)NC(C)(C)C ZINC000009615116 557192197 /nfs/dbraw/zinc/19/21/97/557192197.db2.gz HJUWOVIPQJHMCF-UHFFFAOYSA-N 0 0 440.367 2.514 50 0 IFAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000025063226 557193638 /nfs/dbraw/zinc/19/36/38/557193638.db2.gz GLGJQAUHHPEVLE-CQSZACIVSA-N 0 0 442.463 2.791 50 0 IFAARN Cc1cc2oc(=O)cc(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)c2cc1Cl ZINC000025099106 557195573 /nfs/dbraw/zinc/19/55/73/557195573.db2.gz JBWWWZADYRSEPN-UHFFFAOYSA-N 0 0 434.901 2.749 50 0 IFAARN COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)CCOc1ccccc1 ZINC000100872804 557195722 /nfs/dbraw/zinc/19/57/22/557195722.db2.gz NTFCXHAVNXLPJH-MRCUWXFGSA-N 0 0 434.539 2.649 50 0 IFAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(Cl)s1 ZINC000100873617 557196458 /nfs/dbraw/zinc/19/64/58/557196458.db2.gz UFLWVKBHNUKZEP-MNDPQUGUSA-N 0 0 445.975 2.843 50 0 IFAARN COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000100876011 557197259 /nfs/dbraw/zinc/19/72/59/557197259.db2.gz SECKPBATXWCVQK-DQRAZIAOSA-N 0 0 430.482 2.951 50 0 IFAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000025162513 557198025 /nfs/dbraw/zinc/19/80/25/557198025.db2.gz LRFIXQKBCKBMST-KSMMKXTCSA-N 0 0 433.530 2.707 50 0 IFAARN C[C@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N1CCCCCC1 ZINC000025171148 557198376 /nfs/dbraw/zinc/19/83/76/557198376.db2.gz OUHGHXNERRXXLA-DLBZAZTESA-N 0 0 440.537 2.561 50 0 IFAARN O=S(=O)(c1ccc(F)cc1)N(CCO)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000794378 557202328 /nfs/dbraw/zinc/20/23/28/557202328.db2.gz DWAPVFVWQMMKKT-SFHVURJKSA-N 0 0 442.512 2.978 50 0 IFAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000025291141 557202774 /nfs/dbraw/zinc/20/27/74/557202774.db2.gz MZWCBRIOYXENOB-UHFFFAOYSA-N 0 0 444.539 2.980 50 0 IFAARN CN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000072241262 557206651 /nfs/dbraw/zinc/20/66/51/557206651.db2.gz AFZNOOBAAIHZAW-YADHBBJMSA-N 0 0 427.932 2.583 50 0 IFAARN O=C(CNC(=O)CSc1n[nH]c(Cc2cccs2)n1)Nc1ccc(F)c(F)c1F ZINC000011601798 557207699 /nfs/dbraw/zinc/20/76/99/557207699.db2.gz XSKAKXFVMMYYKL-UHFFFAOYSA-N 0 0 441.460 2.721 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCN(CCC(=O)c3cccc(OC)c3)CC2)cc1 ZINC000025436254 557209643 /nfs/dbraw/zinc/20/96/43/557209643.db2.gz USMMCDIDXQCXAO-UHFFFAOYSA-N 0 0 432.542 2.673 50 0 IFAARN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1O ZINC000010981667 557210390 /nfs/dbraw/zinc/21/03/90/557210390.db2.gz ZPFGGNRUKMMRIO-GFCCVEGCSA-N 0 0 440.905 2.788 50 0 IFAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CN1c2ccccc2OCCC1=O)CC3 ZINC000025453583 557210434 /nfs/dbraw/zinc/21/04/34/557210434.db2.gz NGBGKAUDKPQQQK-UHFFFAOYSA-N 0 0 433.464 2.655 50 0 IFAARN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1O ZINC000010981666 557210454 /nfs/dbraw/zinc/21/04/54/557210454.db2.gz ZPFGGNRUKMMRIO-LBPRGKRZSA-N 0 0 440.905 2.788 50 0 IFAARN CCc1nc(-c2c(=O)n(Cc3cccc(Br)c3)c(=O)n3c2CCCC3)no1 ZINC000169763924 557211225 /nfs/dbraw/zinc/21/12/25/557211225.db2.gz XGCXYHDQJSITAX-UHFFFAOYSA-N 0 0 431.290 2.770 50 0 IFAARN Cc1nc(-c2c(=O)n(CC(=O)Nc3cc(Cl)ccc3C)c(=O)n3c2CCCCC3)no1 ZINC000169764007 557211442 /nfs/dbraw/zinc/21/14/42/557211442.db2.gz RMALOVDCQBIJJE-UHFFFAOYSA-N 0 0 443.891 2.695 50 0 IFAARN CS(=O)(=O)c1ccc(NC(=O)CNc2ccccc2I)cc1 ZINC000011618250 557212259 /nfs/dbraw/zinc/21/22/59/557212259.db2.gz IHEZWSXPHGSUKQ-UHFFFAOYSA-N 0 0 430.267 2.745 50 0 IFAARN CNc1nc(-n2cnc(SCCOc3ccc(C)cc3)n2)nc(N2CCCCC2)n1 ZINC000025496435 557212193 /nfs/dbraw/zinc/21/21/93/557212193.db2.gz UWMOLVKVFKWWIR-UHFFFAOYSA-N 0 0 426.550 2.964 50 0 IFAARN Cc1nc(NC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)sc1-c1nccn1C ZINC000025513612 557212742 /nfs/dbraw/zinc/21/27/42/557212742.db2.gz YNDJZXLLPNPHEK-HNNXBMFYSA-N 0 0 433.559 2.794 50 0 IFAARN Cc1c(-n2nnnc2SCCOc2ccccc2F)c(=O)n(-c2ccccc2)n1C ZINC000011620083 557212793 /nfs/dbraw/zinc/21/27/93/557212793.db2.gz LBMVYWJWGXWARO-UHFFFAOYSA-N 0 0 426.477 2.770 50 0 IFAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000060213981 557212946 /nfs/dbraw/zinc/21/29/46/557212946.db2.gz FFBOEQHIOCKBGE-NRFANRHFSA-N 0 0 426.860 2.630 50 0 IFAARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000247748619 557213718 /nfs/dbraw/zinc/21/37/18/557213718.db2.gz RESSSVYMVVHWDL-BDXSIMOUSA-N 0 0 427.382 2.706 50 0 IFAARN Cc1ccc(NC(=O)Cn2nc(-c3ccco3)oc2=O)cc1I ZINC000011643439 557219148 /nfs/dbraw/zinc/21/91/48/557219148.db2.gz KLWVJPOHOGEDJT-UHFFFAOYSA-N 0 0 425.182 2.648 50 0 IFAARN CCCN1C(=O)N=NC1SCC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000011650712 557219659 /nfs/dbraw/zinc/21/96/59/557219659.db2.gz IYAGUXWAWXYXLQ-UHFFFAOYSA-N 0 0 429.296 2.658 50 0 IFAARN Cc1cc(-c2csc(CN3C(=O)c4ccccc4S3(=O)=O)n2)c(C)n1-c1nc[nH]n1 ZINC000025667636 557221010 /nfs/dbraw/zinc/22/10/10/557221010.db2.gz HFFFANYKYIRYNX-UHFFFAOYSA-N 0 0 440.510 2.680 50 0 IFAARN CC1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)CC1 ZINC000000803379 557222559 /nfs/dbraw/zinc/22/25/59/557222559.db2.gz YOMKCEIDFJTYGL-UHFFFAOYSA-N 0 0 430.526 2.912 50 0 IFAARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)[C@H]1CCS(=O)(=O)C1)oc1ccccc12 ZINC000010994595 557222973 /nfs/dbraw/zinc/22/29/73/557222973.db2.gz BJLYEQTZCPIQEJ-STQMWFEESA-N 0 0 431.466 2.900 50 0 IFAARN COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCS(=O)(=O)C1)oc1ccccc12 ZINC000010994620 557223010 /nfs/dbraw/zinc/22/30/10/557223010.db2.gz BJLYEQTZCPIQEJ-OLZOCXBDSA-N 0 0 431.466 2.900 50 0 IFAARN C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(Br)cc1 ZINC000010913496 557226215 /nfs/dbraw/zinc/22/62/15/557226215.db2.gz WUIFXYSXSGZYKL-LLVKDONJSA-N 0 0 430.258 2.799 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000025843848 557228457 /nfs/dbraw/zinc/22/84/57/557228457.db2.gz YPMCMZZLDJVYFH-UHFFFAOYSA-N 0 0 430.505 2.777 50 0 IFAARN CCOC(=O)C1=C(CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)NC(=O)NC1 ZINC000025862056 557228805 /nfs/dbraw/zinc/22/88/05/557228805.db2.gz YRJFRHFHPKONEP-UHFFFAOYSA-N 0 0 445.951 2.763 50 0 IFAARN CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)[C@H](c2ccccc2)C1 ZINC000018030313 557229727 /nfs/dbraw/zinc/22/97/27/557229727.db2.gz TUPXLMWYCKYIEY-NRFANRHFSA-N 0 0 445.560 2.742 50 0 IFAARN CCOC(=O)[C@@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@H](C)CC ZINC000072303256 557229750 /nfs/dbraw/zinc/22/97/50/557229750.db2.gz ZIIXXBUBSGENLK-DIFFPNOSSA-N 0 0 437.587 2.801 50 0 IFAARN Cc1cc(=O)c(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)nn1-c1ccccc1Cl ZINC000025922761 557230301 /nfs/dbraw/zinc/23/03/01/557230301.db2.gz PTOKTEATASMQCT-UHFFFAOYSA-N 0 0 435.864 2.989 50 0 IFAARN CCCc1nnc(NC(=O)CCC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000072255532 557231302 /nfs/dbraw/zinc/23/13/02/557231302.db2.gz UVPXBLUNCVAWTE-UHFFFAOYSA-N 0 0 425.555 2.679 50 0 IFAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000018039353 557232469 /nfs/dbraw/zinc/23/24/69/557232469.db2.gz NYFKMECDZWNCNI-UHFFFAOYSA-N 0 0 435.267 2.506 50 0 IFAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)Cc4cccs4)nn32)cc1OC ZINC000011693941 557232955 /nfs/dbraw/zinc/23/29/55/557232955.db2.gz OCURRSQFGRXXEP-UHFFFAOYSA-N 0 0 439.497 2.608 50 0 IFAARN COc1cc(OC)cc(C(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)c1 ZINC000011693876 557232980 /nfs/dbraw/zinc/23/29/80/557232980.db2.gz UBZIYYGWOWZZPK-UHFFFAOYSA-N 0 0 437.431 2.756 50 0 IFAARN Cc1nc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)nn1-c1ccc(F)cc1 ZINC000018047227 557233655 /nfs/dbraw/zinc/23/36/55/557233655.db2.gz HBQYJCAPOVHXMI-HXUWFJFHSA-N 0 0 427.455 2.657 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1C ZINC000011694153 557234049 /nfs/dbraw/zinc/23/40/49/557234049.db2.gz IBZASKLOPSQZBZ-UHFFFAOYSA-N 0 0 445.516 2.718 50 0 IFAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000018046217 557234607 /nfs/dbraw/zinc/23/46/07/557234607.db2.gz ZVNRAYGCXDZYEY-UHFFFAOYSA-N 0 0 434.340 2.630 50 0 IFAARN COc1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000018075665 557235277 /nfs/dbraw/zinc/23/52/77/557235277.db2.gz QSSIGYZKTXSFIS-UHFFFAOYSA-N 0 0 440.521 2.983 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)c1C ZINC000018094655 557236797 /nfs/dbraw/zinc/23/67/97/557236797.db2.gz GDWVBZJFSDQKSK-UHFFFAOYSA-N 0 0 429.473 2.680 50 0 IFAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 ZINC000069950982 557238415 /nfs/dbraw/zinc/23/84/15/557238415.db2.gz PAWHUMRFLYROLU-UHFFFAOYSA-N 0 0 431.489 2.708 50 0 IFAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NCCc1nnc2ccccn21 ZINC000026303753 557238604 /nfs/dbraw/zinc/23/86/04/557238604.db2.gz PDDALSQKQHEKAL-UHFFFAOYSA-N 0 0 433.541 2.698 50 0 IFAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 ZINC000026308571 557239082 /nfs/dbraw/zinc/23/90/82/557239082.db2.gz CAHFSNLFECDYLX-RDTXWAMCSA-N 0 0 428.480 2.593 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCn1cccn1 ZINC000604406284 557239998 /nfs/dbraw/zinc/23/99/98/557239998.db2.gz ZYJJPECEPBHILE-QFIPXVFZSA-N 0 0 429.480 2.595 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1 ZINC000100082432 557240229 /nfs/dbraw/zinc/24/02/29/557240229.db2.gz JGSSJLAZAZTHQB-MFJULSPGSA-N 0 0 447.535 2.826 50 0 IFAARN C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCCO1 ZINC000026398692 557240405 /nfs/dbraw/zinc/24/04/05/557240405.db2.gz NMSVXUCSVPNQQU-BLLLJJGKSA-N 0 0 436.361 2.577 50 0 IFAARN C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCCO1 ZINC000026398685 557240470 /nfs/dbraw/zinc/24/04/70/557240470.db2.gz NMSVXUCSVPNQQU-LRDDRELGSA-N 0 0 436.361 2.577 50 0 IFAARN COc1ccc(C(=O)NCc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)no2)cc1F ZINC000583649680 557240638 /nfs/dbraw/zinc/24/06/38/557240638.db2.gz UDVOPVHHQYTORC-HNNXBMFYSA-N 0 0 442.422 2.803 50 0 IFAARN O=C(c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O)N1CCN(Cc2cccs2)CC1 ZINC000018147764 557243225 /nfs/dbraw/zinc/24/32/25/557243225.db2.gz KFYKHKMGAYQJOH-UHFFFAOYSA-N 0 0 446.532 2.699 50 0 IFAARN O=c1/c(=C\c2ccc(Br)cc2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12 ZINC000026533983 557243500 /nfs/dbraw/zinc/24/35/00/557243500.db2.gz UUHBNOZASFMUJL-MHWRWJLKSA-N 0 0 444.285 2.551 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CN2CCC[C@@H]2c2ccccc2)c1=O ZINC000026554235 557244482 /nfs/dbraw/zinc/24/44/82/557244482.db2.gz BXCQHMRWULCAAB-LJQANCHMSA-N 0 0 428.558 2.868 50 0 IFAARN Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2SC[C@H]2CCCO2)cc1 ZINC000026673186 557246196 /nfs/dbraw/zinc/24/61/96/557246196.db2.gz FXFUKHGBLURGSX-QGZVFWFLSA-N 0 0 434.583 2.974 50 0 IFAARN Cc1cn2nc(N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)sc2n1 ZINC000026706656 557247079 /nfs/dbraw/zinc/24/70/79/557247079.db2.gz PPIGJWNVJMHEMV-UHFFFAOYSA-N 0 0 432.358 2.917 50 0 IFAARN Cc1noc(CNC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)n1 ZINC000604404854 557248031 /nfs/dbraw/zinc/24/80/31/557248031.db2.gz HEEBIORQLSQJNC-OAQYLSRUSA-N 0 0 431.452 2.589 50 0 IFAARN COc1ccc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)cc1S(=O)(=O)N(C)C ZINC000018198570 557250435 /nfs/dbraw/zinc/25/04/35/557250435.db2.gz VKZYTALNFAGGCB-UHFFFAOYSA-N 0 0 434.543 2.861 50 0 IFAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000018203084 557251374 /nfs/dbraw/zinc/25/13/74/557251374.db2.gz WJQMTOPMZDFRFC-UHFFFAOYSA-N 0 0 431.290 2.891 50 0 IFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCc1nc(-c2cccs2)no1 ZINC000604419717 557251835 /nfs/dbraw/zinc/25/18/35/557251835.db2.gz WTUNEIHNMYCHPI-OHOGDBNVSA-N 0 0 438.509 2.957 50 0 IFAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCc1nnc2n1CCC2 ZINC000026948160 557252131 /nfs/dbraw/zinc/25/21/31/557252131.db2.gz AZACQORQOXOBHE-UHFFFAOYSA-N 0 0 431.525 2.881 50 0 IFAARN CCn1nc(C)c(S(=O)(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1C ZINC000390831271 557254136 /nfs/dbraw/zinc/25/41/36/557254136.db2.gz QVVLVQCHKVDQMV-UHFFFAOYSA-N 0 0 446.499 2.584 50 0 IFAARN CCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 ZINC000018281230 557254913 /nfs/dbraw/zinc/25/49/13/557254913.db2.gz LXWXMYJLHQNTFH-DEOSSOPVSA-N 0 0 434.496 2.501 50 0 IFAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1 ZINC000027029017 557256002 /nfs/dbraw/zinc/25/60/02/557256002.db2.gz OIFMMHAKLIOODJ-QGZVFWFLSA-N 0 0 443.352 2.742 50 0 IFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCc1ccccc1Cn1cccn1 ZINC000027254335 557259461 /nfs/dbraw/zinc/25/94/61/557259461.db2.gz PVVWPHCSTQEGKS-UHFFFAOYSA-N 0 0 444.582 2.636 50 0 IFAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1ccccc1OC ZINC000101170322 557259953 /nfs/dbraw/zinc/25/99/53/557259953.db2.gz WJXQXEXBWZCTBA-HXUWFJFHSA-N 0 0 443.525 2.692 50 0 IFAARN CC(=O)c1ccc(N2CCN(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)c(F)c1 ZINC000027375006 557261289 /nfs/dbraw/zinc/26/12/89/557261289.db2.gz GHPOURYKSFFDBH-UHFFFAOYSA-N 0 0 427.476 2.950 50 0 IFAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000027411494 557262029 /nfs/dbraw/zinc/26/20/29/557262029.db2.gz BFKJLXQBEJVQBW-UHFFFAOYSA-N 0 0 435.480 2.756 50 0 IFAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NC1CCN(c2ccccn2)CC1 ZINC000070010601 557266129 /nfs/dbraw/zinc/26/61/29/557266129.db2.gz ZUJKLNLQHCXIQA-VWLOTQADSA-N 0 0 447.539 2.556 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1c2c(sc1NC(=O)[C@@H]1COc3ccccc3O1)CCC2 ZINC000027663166 557269438 /nfs/dbraw/zinc/26/94/38/557269438.db2.gz LZEWWTLTXUSBSU-DYVFJYSZSA-N 0 0 428.510 2.924 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000027664626 557270597 /nfs/dbraw/zinc/27/05/97/557270597.db2.gz NOBZURQRQHCOTP-UHFFFAOYSA-N 0 0 446.510 2.520 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000100914954 557278399 /nfs/dbraw/zinc/27/83/99/557278399.db2.gz YSXRGUIBWUOMJG-NVXWUHKLSA-N 0 0 442.269 2.746 50 0 IFAARN CN(C)c1ccc(-c2nc3c(N)n(-c4cccc(C(F)(F)F)c4)c(=O)nc3c(=O)[nH]2)cc1 ZINC000100946313 557279439 /nfs/dbraw/zinc/27/94/39/557279439.db2.gz OHMAOVSWPFPTSQ-UHFFFAOYSA-N 0 0 442.401 2.633 50 0 IFAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101344432 557279472 /nfs/dbraw/zinc/27/94/72/557279472.db2.gz HVGKNCXAETYDEW-CROMWVBPSA-N 0 0 437.883 2.780 50 0 IFAARN O=c1occ(C[N@@H+]2CCc3ccccc3C2)c([O-])c1CN1CCN(c2ccccn2)CC1 ZINC000101374954 557281191 /nfs/dbraw/zinc/28/11/91/557281191.db2.gz PZSUICJRZWRODP-UHFFFAOYSA-N 0 0 432.524 2.621 50 0 IFAARN CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)N2CCc3ccccc3C2)C1=O ZINC000101440769 557285646 /nfs/dbraw/zinc/28/56/46/557285646.db2.gz NLKMVFMSHXNEOC-SFHVURJKSA-N 0 0 442.313 2.558 50 0 IFAARN CCCN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2CCCN2CCOCC2)C1=O ZINC000101641620 557292222 /nfs/dbraw/zinc/29/22/22/557292222.db2.gz QJROJJSJNZKVIF-RUZDIDTESA-N 0 0 434.540 2.886 50 0 IFAARN CCOC(=O)c1nc2ccccc2nc1N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000023323627 557293424 /nfs/dbraw/zinc/29/34/24/557293424.db2.gz SVLFPDODYAWKQU-UHFFFAOYSA-N 0 0 434.496 2.672 50 0 IFAARN CC(C)C[C@H](C(=O)N1CCC(c2nnc3ccccn32)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000101812833 557299112 /nfs/dbraw/zinc/29/91/12/557299112.db2.gz JIOWSVRWVNPHDT-SLFFLAALSA-N 0 0 449.555 2.801 50 0 IFAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)n2)o1 ZINC000101826185 557299444 /nfs/dbraw/zinc/29/94/44/557299444.db2.gz XXHLSKXVEFJNAZ-GASCZTMLSA-N 0 0 444.513 2.543 50 0 IFAARN CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000102248112 557315422 /nfs/dbraw/zinc/31/54/22/557315422.db2.gz FHPQTOCXDIHXDH-NRFANRHFSA-N 0 0 425.916 2.992 50 0 IFAARN CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 ZINC000032913076 557317424 /nfs/dbraw/zinc/31/74/24/557317424.db2.gz LGERGEKGUUEUFV-QGZVFWFLSA-N 0 0 436.578 2.583 50 0 IFAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)NCc1ccccn1 ZINC000102288383 557317416 /nfs/dbraw/zinc/31/74/16/557317416.db2.gz RTFRASJISBKNQP-RTBURBONSA-N 0 0 427.526 2.544 50 0 IFAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NC1CCCCC1 ZINC000102289731 557317822 /nfs/dbraw/zinc/31/78/22/557317822.db2.gz HKHNXJVDGFOLSO-HDICACEKSA-N 0 0 434.558 2.981 50 0 IFAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc(F)c4)C3)cc2NC1=O ZINC000033021490 557321365 /nfs/dbraw/zinc/32/13/65/557321365.db2.gz ZONFMHGMIPRUAS-UONOGXRCSA-N 0 0 447.488 2.585 50 0 IFAARN Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)C2=O)cc1 ZINC000032991018 557321969 /nfs/dbraw/zinc/32/19/69/557321969.db2.gz STXPDPYAFAFEPZ-XBCMEMFWSA-N 0 0 445.566 2.602 50 0 IFAARN CNC(=S)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000102435813 557322531 /nfs/dbraw/zinc/32/25/31/557322531.db2.gz CYBRUUUSUZRRMD-HNNXBMFYSA-N 0 0 431.901 2.707 50 0 IFAARN CCOC(=O)C1=C(NC(=O)Cn2cnc3ccccc3c2=O)Nc2ccccc2N=C1CC ZINC000102404128 557323144 /nfs/dbraw/zinc/32/31/44/557323144.db2.gz OYXYFRYJXIRLCX-UHFFFAOYSA-N 0 0 445.479 2.896 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000014233693 557327198 /nfs/dbraw/zinc/32/71/98/557327198.db2.gz DTJMUDGQGRHWJA-LRYXAPPNSA-N 0 0 448.585 2.847 50 0 IFAARN O=C(CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)NCCc1ccccc1 ZINC000033268386 557328226 /nfs/dbraw/zinc/32/82/26/557328226.db2.gz XOJHFSZQTQYSKE-UHFFFAOYSA-N 0 0 433.917 2.988 50 0 IFAARN CN(CCc1noc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)C(=O)CCc1ccccc1 ZINC000033273669 557328947 /nfs/dbraw/zinc/32/89/47/557328947.db2.gz SANVYVLOFFTODR-UHFFFAOYSA-N 0 0 448.523 2.843 50 0 IFAARN O=C(c1ccccc1SCc1ccsc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000014242143 557329126 /nfs/dbraw/zinc/32/91/26/557329126.db2.gz HKAGEZXPMWMGTG-KRWDZBQOSA-N 0 0 436.624 2.985 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)cc1OC ZINC000102465221 557329974 /nfs/dbraw/zinc/32/99/74/557329974.db2.gz BBTRNGCKYMSWCU-KBPBESRZSA-N 0 0 429.498 2.941 50 0 IFAARN CC(C)n1nnc2cc(S(=O)(=O)N3CCCC[C@H]3C(=O)NCc3ccccc3)ccc21 ZINC000033263123 557330181 /nfs/dbraw/zinc/33/01/81/557330181.db2.gz SHFXBXWOJASGPY-NRFANRHFSA-N 0 0 441.557 2.872 50 0 IFAARN CCc1cccc2c(C=C3NC(=S)N(C)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c21 ZINC000033403828 557334199 /nfs/dbraw/zinc/33/41/99/557334199.db2.gz KMBZKANPCUTVOD-HKJBKDEOSA-N 0 0 426.542 2.598 50 0 IFAARN COc1ccc(/C=C(\NC(=O)c2ccc(OCC(C)C)cc2)C(=O)NCCCO)cc1 ZINC000004837212 557337763 /nfs/dbraw/zinc/33/77/63/557337763.db2.gz DEJWPMUUHWCWNO-JCMHNJIXSA-N 0 0 426.513 3.000 50 0 IFAARN CC(C)C[C@H](C(=O)O[C@H](C)C(=O)NCc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000011678002 557350953 /nfs/dbraw/zinc/35/09/53/557350953.db2.gz JKDGEPBEDYKLLP-RSPOEFSDSA-N 0 0 426.513 2.600 50 0 IFAARN CN(C(=O)CN1CCN(c2cc(-c3ccccc3)nc3ncnn32)CC1)c1ccccc1 ZINC000023448994 557356325 /nfs/dbraw/zinc/35/63/25/557356325.db2.gz NITPIFOTKFLIAW-UHFFFAOYSA-N 0 0 427.512 2.576 50 0 IFAARN COc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccc(Br)cc2)N2CCCN32)c1 ZINC000102690194 557363958 /nfs/dbraw/zinc/36/39/58/557363958.db2.gz NEQYFFVJHRIPRS-GBESFXJTSA-N 0 0 442.313 2.993 50 0 IFAARN COc1ccc(N2C(=O)C[C@H](N3CCN(CCOc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000102701067 557365310 /nfs/dbraw/zinc/36/53/10/557365310.db2.gz VHWQGKKLXYUOPJ-NRFANRHFSA-N 0 0 443.931 2.677 50 0 IFAARN COc1ccc(F)cc1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000011689616 557367834 /nfs/dbraw/zinc/36/78/34/557367834.db2.gz PDWFZSMQGVHMKQ-UHFFFAOYSA-N 0 0 448.472 2.800 50 0 IFAARN O=S(=O)(c1ccc(Br)s1)N1CCN(CCOc2ccccc2)CC1 ZINC000023805865 557375978 /nfs/dbraw/zinc/37/59/78/557375978.db2.gz PBDXCYQUEWMVJZ-UHFFFAOYSA-N 0 0 431.377 2.896 50 0 IFAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1cccc(OCc2cccc(Cl)c2)c1 ZINC000011692398 557388309 /nfs/dbraw/zinc/38/83/09/557388309.db2.gz GYXRRGCKWYGYSZ-UHFFFAOYSA-N 0 0 437.887 2.818 50 0 IFAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)Cc4ccccc4)nn32)cc1OC ZINC000011693933 557391921 /nfs/dbraw/zinc/39/19/21/557391921.db2.gz UOYWPCLNJRJGSE-UHFFFAOYSA-N 0 0 433.468 2.546 50 0 IFAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)Cc4cccc(C)c4)nn32)cc1OC ZINC000011693944 557392190 /nfs/dbraw/zinc/39/21/90/557392190.db2.gz UDYXDTDXVJXQGW-UHFFFAOYSA-N 0 0 447.495 2.855 50 0 IFAARN O=S(=O)(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1ccccc1 ZINC000011694569 557392515 /nfs/dbraw/zinc/39/25/15/557392515.db2.gz JGIKFONIXYUEKE-UHFFFAOYSA-N 0 0 429.889 2.802 50 0 IFAARN Cc1cc(S(=O)(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)ccc1F ZINC000011694545 557392579 /nfs/dbraw/zinc/39/25/79/557392579.db2.gz HGJYKRYCLDIWMZ-UHFFFAOYSA-N 0 0 427.461 2.596 50 0 IFAARN COc1ccc(-n2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2C(F)(F)F)nn1 ZINC000024049567 557393862 /nfs/dbraw/zinc/39/38/62/557393862.db2.gz FWHBSXVVYWALFF-UHFFFAOYSA-N 0 0 446.433 2.648 50 0 IFAARN COC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000011696097 557393963 /nfs/dbraw/zinc/39/39/63/557393963.db2.gz LBNLGEMKPNZJED-RHSMWYFYSA-N 0 0 442.541 2.531 50 0 IFAARN COC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000011696197 557394384 /nfs/dbraw/zinc/39/43/84/557394384.db2.gz USVRSDFONNVJCS-TZMCWYRMSA-N 0 0 448.570 2.593 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(I)c3c2ncnc3N)C1 ZINC000116354198 557394665 /nfs/dbraw/zinc/39/46/65/557394665.db2.gz YQXAEBHPCJZKKX-SECBINFHSA-N 0 0 444.277 2.585 50 0 IFAARN COc1cccc([C@]2(C)NC(=O)N(C[C@H](O)COc3cccc(Br)c3)C2=O)c1 ZINC000024086924 557395762 /nfs/dbraw/zinc/39/57/62/557395762.db2.gz YETOCZQFJRDXBO-YWZLYKJASA-N 0 0 449.301 2.665 50 0 IFAARN COc1ccccc1CNC(=O)Nc1snnc1C(=O)NCc1ccccc1OC ZINC000033436166 557397612 /nfs/dbraw/zinc/39/76/12/557397612.db2.gz QNWUDMYWZGRXHG-UHFFFAOYSA-N 0 0 427.486 2.807 50 0 IFAARN CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)cc3)n2CC)s1 ZINC000013956074 557398023 /nfs/dbraw/zinc/39/80/23/557398023.db2.gz CVMOCQUIMJGWRB-UHFFFAOYSA-N 0 0 445.574 2.932 50 0 IFAARN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1S[C@H](C)C(=O)NC(C)(C)C ZINC000013956553 557398579 /nfs/dbraw/zinc/39/85/79/557398579.db2.gz NHVARSREJJQXHV-CQSZACIVSA-N 0 0 433.578 2.561 50 0 IFAARN CCCN(C(=O)Cc1c(F)cccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000033463087 557400465 /nfs/dbraw/zinc/40/04/65/557400465.db2.gz AZIGQETZYSMBOD-UHFFFAOYSA-N 0 0 444.894 2.945 50 0 IFAARN COc1cccc(CN2C(=O)CC[C@@]2(C)C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000004893178 557401914 /nfs/dbraw/zinc/40/19/14/557401914.db2.gz ZEYMZKQMFYTPNS-DEOSSOPVSA-N 0 0 426.513 2.952 50 0 IFAARN CS(=O)(=O)NC1=NC2=NC(c3ccc(Br)cc3)=C[C@H](c3ccccc3)N2N1 ZINC000100486424 557409119 /nfs/dbraw/zinc/40/91/19/557409119.db2.gz DMGGJCYYAQOUKF-MRXNPFEDSA-N 0 0 446.330 2.626 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000102905142 557411643 /nfs/dbraw/zinc/41/16/43/557411643.db2.gz DPVDVYNFJBOSPJ-OKILXGFUSA-N 0 0 427.482 2.695 50 0 IFAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000103027760 557416594 /nfs/dbraw/zinc/41/65/94/557416594.db2.gz FHWPONPEAPXXHF-OKILXGFUSA-N 0 0 433.390 2.566 50 0 IFAARN CN(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1)Cc1ccccc1 ZINC000004971556 557421033 /nfs/dbraw/zinc/42/10/33/557421033.db2.gz IFZQWDZWZHPGNC-UHFFFAOYSA-N 0 0 427.570 2.786 50 0 IFAARN Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c(C)n1CC(F)(F)F ZINC000103148123 557423831 /nfs/dbraw/zinc/42/38/31/557423831.db2.gz VNHZAVXFQQZYPJ-SOUVJXGZSA-N 0 0 442.434 2.957 50 0 IFAARN NC(=O)[C@@H]1CN(CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc2O1 ZINC000103445951 557437347 /nfs/dbraw/zinc/43/73/47/557437347.db2.gz WXZKFZYJZLRXEY-KXBFYZLASA-N 0 0 436.537 2.755 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1OC ZINC000103514092 557438133 /nfs/dbraw/zinc/43/81/33/557438133.db2.gz BNNMIWVCBDLINX-YCZSINBZSA-N 0 0 445.475 2.609 50 0 IFAARN CSCC[C@@H](NC(=O)CCCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2[nH]1 ZINC000223212151 557446737 /nfs/dbraw/zinc/44/67/37/557446737.db2.gz GCHSGZDDHHCMNA-GOSISDBHSA-N 0 0 437.525 2.945 50 0 IFAARN CSCC[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)c1nnc2ccccn21 ZINC000223225827 557448169 /nfs/dbraw/zinc/44/81/69/557448169.db2.gz KXBRBKJSPLPVAS-OAHLLOKOSA-N 0 0 440.554 2.625 50 0 IFAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000104001076 557448462 /nfs/dbraw/zinc/44/84/62/557448462.db2.gz JWUHDINBJVAKMJ-CALCHBBNSA-N 0 0 436.464 2.714 50 0 IFAARN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000104098021 557449977 /nfs/dbraw/zinc/44/99/77/557449977.db2.gz MCQPKOPPHLQIDX-KFWWJZLASA-N 0 0 434.027 2.601 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)c1 ZINC000097943864 557453735 /nfs/dbraw/zinc/45/37/35/557453735.db2.gz NDJHRJYMIYTHKZ-XMMPIXPASA-N 0 0 437.496 2.739 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)[C@H]1C ZINC000104747801 557460312 /nfs/dbraw/zinc/46/03/12/557460312.db2.gz NVWPVKPZBCFCNL-SELNLUPBSA-N 0 0 447.645 2.813 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)CCn3ccn4nc5c(c4c3=O)CCCC5)CC2)c1 ZINC000169760348 557461334 /nfs/dbraw/zinc/46/13/34/557461334.db2.gz VFWKXOHGISUDIB-UHFFFAOYSA-N 0 0 433.556 2.731 50 0 IFAARN COC(=O)c1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1 ZINC000051316982 557466095 /nfs/dbraw/zinc/46/60/95/557466095.db2.gz FIWFVFJUUVJJMS-UHFFFAOYSA-N 0 0 431.452 2.600 50 0 IFAARN Cc1ccc(C(=O)N(CC2CC2)C[C@@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)cc1 ZINC000105038869 557473366 /nfs/dbraw/zinc/47/33/66/557473366.db2.gz BDLNEFUNLKYOHH-VWNXMTODSA-N 0 0 442.556 2.719 50 0 IFAARN COCCN(C[C@H]1CN(C[C@H](O)C(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000105039110 557473372 /nfs/dbraw/zinc/47/33/72/557473372.db2.gz LFWWSUFYDGEFMG-MOPGFXCFSA-N 0 0 432.483 2.512 50 0 IFAARN O=C(CN1CCn2cccc2[C@@H]1c1ccccc1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000105570327 557507635 /nfs/dbraw/zinc/50/76/35/557507635.db2.gz ITKSIONSXRUPDD-URXFXBBRSA-N 0 0 441.597 2.851 50 0 IFAARN COc1ccc(Cn2c(CNS(=O)(=O)c3ccc(OC)cc3)nc3cccnc32)cc1 ZINC000047146241 557517019 /nfs/dbraw/zinc/51/70/19/557517019.db2.gz SCNMEBOILKJKMB-UHFFFAOYSA-N 0 0 438.509 2.975 50 0 IFAARN CC(=O)C[C@@H]1N(C2CCCCCC2)C(=O)[C@@H]2N(c3ccccc3C)C(=O)[C@@H]3CC(=O)O[C@@]321 ZINC000015861198 557519167 /nfs/dbraw/zinc/51/91/67/557519167.db2.gz LCJFUACRXBTLBP-XZFMWLAQSA-N 0 0 438.524 2.925 50 0 IFAARN C[C@H](Sc1nnc(Cc2cccc3ccccc32)n1N)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000013131833 557521597 /nfs/dbraw/zinc/52/15/97/557521597.db2.gz UFXIZVWOEISXKD-OAGGEKHMSA-N 0 0 425.558 2.852 50 0 IFAARN O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019817568 557522609 /nfs/dbraw/zinc/52/26/09/557522609.db2.gz ZGQSDRDEQWKIGV-QFBILLFUSA-N 0 0 448.479 2.903 50 0 IFAARN COc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1OC ZINC000106213798 557523472 /nfs/dbraw/zinc/52/34/72/557523472.db2.gz BZYJITTWENPWEU-TXPKVOOTSA-N 0 0 440.443 2.973 50 0 IFAARN Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3F)c(=O)[nH]2)c1 ZINC000012033103 557524461 /nfs/dbraw/zinc/52/44/61/557524461.db2.gz NKQIJDVSQQPBPK-UHFFFAOYSA-N 0 0 427.461 2.783 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(SC)cc2)c1 ZINC000012039537 557525053 /nfs/dbraw/zinc/52/50/53/557525053.db2.gz MFHVBHAEVJYADQ-UHFFFAOYSA-N 0 0 435.571 2.808 50 0 IFAARN COc1ccccc1-n1c2nc(-c3cccc(Br)c3)nc(C(N)=O)c2[nH]c1=O ZINC000012080849 557527698 /nfs/dbraw/zinc/52/76/98/557527698.db2.gz WOKFCZXCBSOBIR-UHFFFAOYSA-N 0 0 440.257 2.646 50 0 IFAARN O=S(=O)(CCCOc1ccccc1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000211106979 557534064 /nfs/dbraw/zinc/53/40/64/557534064.db2.gz NVIIBCBHMOBVJN-FQEVSTJZSA-N 0 0 441.546 2.863 50 0 IFAARN O=C(Nc1nc2c(s1)C(=O)NCCC2)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000211128557 557534295 /nfs/dbraw/zinc/53/42/95/557534295.db2.gz OMHJUJQQQNRIAQ-SNVBAGLBSA-N 0 0 449.330 2.573 50 0 IFAARN O=C(N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000107288783 557535350 /nfs/dbraw/zinc/53/53/50/557535350.db2.gz PXMTWSFGSHWZCO-PKOBYXMFSA-N 0 0 449.486 2.619 50 0 IFAARN O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NCc1ccc(F)cc1 ZINC000044839619 557539129 /nfs/dbraw/zinc/53/91/29/557539129.db2.gz JTPQOGFDDPXFNG-UHFFFAOYSA-N 0 0 431.467 2.861 50 0 IFAARN COc1cccc(-c2ccc(=O)n(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)n2)c1 ZINC000044893472 557539846 /nfs/dbraw/zinc/53/98/46/557539846.db2.gz IJSZDMKPOQCFRO-UHFFFAOYSA-N 0 0 425.441 2.583 50 0 IFAARN COc1cccc(-c2ccc(=O)n(CC(=O)N3CCc4cc(OC)c(OC)cc4C3)n2)c1 ZINC000044917929 557540693 /nfs/dbraw/zinc/54/06/93/557540693.db2.gz PULWGYLLEFXIKE-UHFFFAOYSA-N 0 0 435.480 2.521 50 0 IFAARN C[C@H](C(=O)Nc1cc(F)ccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000108990372 557545040 /nfs/dbraw/zinc/54/50/40/557545040.db2.gz LAZIENUAHAUXGN-ZIAGYGMSSA-N 0 0 430.455 2.988 50 0 IFAARN COC(=O)CCCCCCNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 ZINC000045792890 557545619 /nfs/dbraw/zinc/54/56/19/557545619.db2.gz LHMVOXVRBYLRAF-SFHVURJKSA-N 0 0 444.619 2.635 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)NC(C)(C)C)C1 ZINC000045913293 557547348 /nfs/dbraw/zinc/54/73/48/557547348.db2.gz VKCUDCCGAWMABS-OAHLLOKOSA-N 0 0 435.590 2.646 50 0 IFAARN COc1cccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn32)c1 ZINC000045925496 557550056 /nfs/dbraw/zinc/55/00/56/557550056.db2.gz BYFRHLFXYWUAGV-UHFFFAOYSA-N 0 0 425.445 2.963 50 0 IFAARN O=C(CSc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn21)Nc1ccc2c(c1)OCO2 ZINC000045925564 557550083 /nfs/dbraw/zinc/55/00/83/557550083.db2.gz HVTAFZWPLYDJOO-UHFFFAOYSA-N 0 0 439.428 2.683 50 0 IFAARN CCN1CCN(C(=O)CC2CCN(C(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)CC2)CC1 ZINC000045974030 557555965 /nfs/dbraw/zinc/55/59/65/557555965.db2.gz CIJAUJIFFQKMPN-UHFFFAOYSA-N 0 0 446.592 2.603 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)cc1 ZINC000045970162 557557608 /nfs/dbraw/zinc/55/76/08/557557608.db2.gz YDTIVMXQMNEAAR-UHFFFAOYSA-N 0 0 441.513 2.659 50 0 IFAARN O=c1c2nnn(Cc3cccc(F)c3)c2ncn1Cc1nc(-c2ccccc2Cl)no1 ZINC000045970981 557558323 /nfs/dbraw/zinc/55/83/23/557558323.db2.gz GKDCDNLZWGEXCD-UHFFFAOYSA-N 0 0 437.822 2.927 50 0 IFAARN Cc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4cccc(F)c4)c3=O)n2)cc1C ZINC000045970995 557558352 /nfs/dbraw/zinc/55/83/52/557558352.db2.gz LNLAFSLFRHYRQZ-UHFFFAOYSA-N 0 0 431.431 2.891 50 0 IFAARN CN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)S(=O)(=O)c1cccs1 ZINC000039975747 557672974 /nfs/dbraw/zinc/67/29/74/557672974.db2.gz KIFFLYZFZQBESG-MRXNPFEDSA-N 0 0 436.555 2.894 50 0 IFAARN C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000040117693 557695835 /nfs/dbraw/zinc/69/58/35/557695835.db2.gz GTWMSSJOHGPUIS-GUYCJALGSA-N 0 0 427.432 2.679 50 0 IFAARN COCCn1cc([C@H]2[C@@H](C(=O)Nc3cnc(C4CC4)nc3)CC(=O)N2C(C)(C)C)cn1 ZINC000225455613 557724809 /nfs/dbraw/zinc/72/48/09/557724809.db2.gz GOHXDNLGRBIDMB-HKUYNNGSSA-N 0 0 426.521 2.524 50 0 IFAARN CC(C)c1c(N2CCC[C@H](C3OCCO3)C2)ncnc1N1CCC[C@H](C2OCCO2)C1 ZINC000225539850 557738892 /nfs/dbraw/zinc/73/88/92/557738892.db2.gz GBVQHZUJGOAMRU-ROUUACIJSA-N 0 0 432.565 2.779 50 0 IFAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(C(F)(F)F)cs1 ZINC000225613011 557751999 /nfs/dbraw/zinc/75/19/99/557751999.db2.gz OJWHGWGNLVJTPG-NSHDSACASA-N 0 0 449.476 2.674 50 0 IFAARN O=C(Cn1cnc2c(nnn2Cc2cccc(C(F)(F)F)c2)c1=O)Nc1ccccc1F ZINC000040477152 557753046 /nfs/dbraw/zinc/75/30/46/557753046.db2.gz QCKCZMCMCFMRRJ-UHFFFAOYSA-N 0 0 446.364 2.833 50 0 IFAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2ccc(C)cc2Cl)c3=O)c1 ZINC000040478136 557753517 /nfs/dbraw/zinc/75/35/17/557753517.db2.gz QVUUIFZZQSRLTA-UHFFFAOYSA-N 0 0 438.875 2.645 50 0 IFAARN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CNC(=O)c1ccco1 ZINC000225737923 557770899 /nfs/dbraw/zinc/77/08/99/557770899.db2.gz WWFSOJCXGXUIDZ-QGZVFWFLSA-N 0 0 443.500 2.839 50 0 IFAARN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000225808845 557779560 /nfs/dbraw/zinc/77/95/60/557779560.db2.gz QSVNYBQVWHEDAZ-KRWDZBQOSA-N 0 0 438.557 2.740 50 0 IFAARN CC(C)NS(=O)(=O)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000225813936 557780229 /nfs/dbraw/zinc/78/02/29/557780229.db2.gz AWNRJVKYSSZHRS-UHFFFAOYSA-N 0 0 435.619 2.812 50 0 IFAARN C[C@H](NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br)c1ccc(Cl)cn1 ZINC000225830768 557782434 /nfs/dbraw/zinc/78/24/34/557782434.db2.gz HRKBTYGGPSBNFX-ZETCQYMHSA-N 0 0 431.699 2.707 50 0 IFAARN COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000024985661 557828950 /nfs/dbraw/zinc/82/89/50/557828950.db2.gz CZQYECRUIQPNIS-BONVTDFDSA-N 0 0 433.313 2.694 50 0 IFAARN CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc2ccccc21 ZINC000000850077 557829560 /nfs/dbraw/zinc/82/95/60/557829560.db2.gz GIWFEZJMQGPRKV-HNNXBMFYSA-N 0 0 440.525 2.517 50 0 IFAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)N4CCC5(CC4)OCCO5)cc3C2=O)cc1 ZINC000024996888 557830645 /nfs/dbraw/zinc/83/06/45/557830645.db2.gz LDLWXINQTOAZEI-UHFFFAOYSA-N 0 0 436.464 2.865 50 0 IFAARN O=C(Nc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1)NC1CC1 ZINC000025008908 557831841 /nfs/dbraw/zinc/83/18/41/557831841.db2.gz SFYAFLCVKMKKBF-UHFFFAOYSA-N 0 0 428.439 2.847 50 0 IFAARN CC(C)Cn1c2cnccc2nc(N2CCN(C(=O)c3ccc4ncccc4c3)CC2)c1=O ZINC000097138035 557832538 /nfs/dbraw/zinc/83/25/38/557832538.db2.gz YDDVSRXRSKJWNP-UHFFFAOYSA-N 0 0 442.523 2.958 50 0 IFAARN CCOc1cc([C@H]2[C@@H](C(=O)OC(C)C)[C@@](C)(O)CC(=O)[C@H]2C(=O)OC(C)C)ccc1O ZINC000239433062 557844696 /nfs/dbraw/zinc/84/46/96/557844696.db2.gz XECKZJRXQSHIAF-UGTOYMOASA-N 0 0 436.501 2.734 50 0 IFAARN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1COCCN1CC(F)(F)F ZINC000239760987 557845006 /nfs/dbraw/zinc/84/50/06/557845006.db2.gz CJBNZFGRTWQWCB-CVEARBPZSA-N 0 0 437.865 2.995 50 0 IFAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NCc1ccccc1S(N)(=O)=O ZINC000241644211 557846700 /nfs/dbraw/zinc/84/67/00/557846700.db2.gz PPDZUYXKKXZNKI-UHFFFAOYSA-N 0 0 441.538 2.757 50 0 IFAARN c1ccc(N2CCN(Cc3ccncc3CN3CCN(c4ccccn4)CC3)CC2)nc1 ZINC000242178850 557847289 /nfs/dbraw/zinc/84/72/89/557847289.db2.gz XBKUVPCCKHYNDN-UHFFFAOYSA-N 0 0 429.572 2.516 50 0 IFAARN O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000001838582 562924780 /nfs/dbraw/zinc/92/47/80/562924780.db2.gz CUUYJTJWKIONBU-UHFFFAOYSA-N 0 0 431.444 2.991 50 0 aggregator IFAARN Cc1c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2oc(=O)c1Cc1ccccc1 ZINC000002113252 562925914 /nfs/dbraw/zinc/92/59/14/562925914.db2.gz ZWOWPHCQMUUKMZ-UHFFFAOYSA-N 0 0 434.492 2.795 50 0 IFAARN COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCOCC2)cc1OC ZINC000002322229 562926938 /nfs/dbraw/zinc/92/69/38/562926938.db2.gz OPYMFQZBUFPGKU-ZHZULCJRSA-N 0 0 449.507 2.825 50 0 IFAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)c1 ZINC000002376809 562927220 /nfs/dbraw/zinc/92/72/20/562927220.db2.gz QQVODUCSMVTXFW-UHFFFAOYSA-N 0 0 429.502 2.806 50 0 IFAARN COc1ccc(CNc2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)cc1 ZINC000002409443 562927452 /nfs/dbraw/zinc/92/74/52/562927452.db2.gz IABJLFNKDOFOFZ-UHFFFAOYSA-N 0 0 439.903 2.756 50 0 IFAARN COC[C@@H](C)n1c(SCC(=O)NC(=O)Cc2ccccc2)nc2ccccc2c1=O ZINC000002628347 562928724 /nfs/dbraw/zinc/92/87/24/562928724.db2.gz DOJBMILZXLGWJQ-OAHLLOKOSA-N 0 0 425.510 2.582 50 0 IFAARN C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O ZINC000002636661 562929011 /nfs/dbraw/zinc/92/90/11/562929011.db2.gz RUCDLLPAFORGMI-OAQYLSRUSA-N 0 0 442.313 2.801 50 0 IFAARN COc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000002652633 562929378 /nfs/dbraw/zinc/92/93/78/562929378.db2.gz CDKBCHROXCQPOQ-UHFFFAOYSA-N 0 0 444.465 2.562 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(CSCc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000002655080 562929515 /nfs/dbraw/zinc/92/95/15/562929515.db2.gz NMCKETLUGKTIKJ-UHFFFAOYSA-N 0 0 428.601 2.621 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCCC1=CCCCC1 ZINC000002658358 562929538 /nfs/dbraw/zinc/92/95/38/562929538.db2.gz IFRLYPSKSSAWJM-UHFFFAOYSA-N 0 0 446.525 2.922 50 0 aggregator IFAARN Cc1csc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000002664667 562929726 /nfs/dbraw/zinc/92/97/26/562929726.db2.gz SVCRQRIFOGZORK-UHFFFAOYSA-N 0 0 431.992 2.730 50 0 IFAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2cc(C)on2)CCS3)cc1 ZINC000002719868 562929909 /nfs/dbraw/zinc/92/99/09/562929909.db2.gz OJMNFYFGJBOFGJ-UHFFFAOYSA-N 0 0 430.511 2.917 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 ZINC000002873875 562930334 /nfs/dbraw/zinc/93/03/34/562930334.db2.gz RYSCWEDJPWGBOT-SFHVURJKSA-N 0 0 432.542 2.729 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)N(C)Cc2ccccc2)C(C)C)cc1 ZINC000002938941 562930883 /nfs/dbraw/zinc/93/08/83/562930883.db2.gz CKZYVMNKIMAZME-NRFANRHFSA-N 0 0 431.558 2.997 50 0 IFAARN O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003248224 562933331 /nfs/dbraw/zinc/93/33/31/562933331.db2.gz XZFUVPWLGHJHLY-UHFFFAOYSA-N 0 0 446.459 2.652 50 0 IFAARN O=C(COC(=O)CNC(=O)c1ccc(Br)o1)Nc1ccccc1OC(F)F ZINC000003328935 562934302 /nfs/dbraw/zinc/93/43/02/562934302.db2.gz QBCPFXFKAJDNNS-UHFFFAOYSA-N 0 0 447.188 2.555 50 0 IFAARN O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)Nc1ccc(OC(F)F)cc1 ZINC000003342281 562934446 /nfs/dbraw/zinc/93/44/46/562934446.db2.gz ZEIKHYMBLBCRLE-UHFFFAOYSA-N 0 0 429.379 2.740 50 0 IFAARN Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)no1 ZINC000003365380 562934901 /nfs/dbraw/zinc/93/49/01/562934901.db2.gz USDCEKIIPLSGMH-UHFFFAOYSA-N 0 0 435.502 2.732 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1 ZINC000003366709 562934929 /nfs/dbraw/zinc/93/49/29/562934929.db2.gz UHFKAOMOCSODLB-NSHDSACASA-N 0 0 446.312 2.546 50 0 IFAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(-n2nc(SC)sc2=S)cc1 ZINC000003434242 562935782 /nfs/dbraw/zinc/93/57/82/562935782.db2.gz BLEFSYKFTMEOBE-SECBINFHSA-N 0 0 426.545 2.776 50 0 IFAARN COCCn1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003446787 562935932 /nfs/dbraw/zinc/93/59/32/562935932.db2.gz UCBFELSKNKJGSL-AWEZNQCLSA-N 0 0 441.509 2.933 50 0 IFAARN Cc1cc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(C)s1 ZINC000003456350 562936083 /nfs/dbraw/zinc/93/60/83/562936083.db2.gz FNOSXZJZNIQDAP-UHFFFAOYSA-N 0 0 426.585 2.922 50 0 IFAARN O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000003551567 562936418 /nfs/dbraw/zinc/93/64/18/562936418.db2.gz BJROQKFYPRCGFD-UHFFFAOYSA-N 0 0 448.516 2.704 50 0 IFAARN Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1C ZINC000003569784 562936483 /nfs/dbraw/zinc/93/64/83/562936483.db2.gz IGXACLCLQCKKNF-UHFFFAOYSA-N 0 0 441.509 2.743 50 0 IFAARN O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NC2CCCCC2)o1 ZINC000004119114 562942214 /nfs/dbraw/zinc/94/22/14/562942214.db2.gz ZHTRBXRPLJCJFK-UHFFFAOYSA-N 0 0 438.937 2.959 50 0 IFAARN CC[C@@H](Sc1ncccc1C(=O)OCCN1CCCC1=O)C(=O)NCc1ccco1 ZINC000004035825 562941184 /nfs/dbraw/zinc/94/11/84/562941184.db2.gz DPZUDUVBAJIZFJ-QGZVFWFLSA-N 0 0 431.514 2.641 50 0 IFAARN O=C(OCc1cc(=O)n2c3ccccc3sc2n1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000004144374 562942418 /nfs/dbraw/zinc/94/24/18/562942418.db2.gz RKEOUOWGUIBWRF-UHFFFAOYSA-N 0 0 444.472 2.922 50 0 IFAARN CN(C)S(=O)(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000004295611 562943004 /nfs/dbraw/zinc/94/30/04/562943004.db2.gz LWEBIUKLNWRIHH-LPHOPBHVSA-N 0 0 436.505 2.845 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1OC ZINC000005941231 562945466 /nfs/dbraw/zinc/94/54/66/562945466.db2.gz POYRVGYLYHLHGQ-UHFFFAOYSA-N 0 0 444.553 2.689 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCCn2nc(C)n3c4ccsc4cc3c2=O)C1 ZINC000006577476 562947674 /nfs/dbraw/zinc/94/76/74/562947674.db2.gz GELIBRHFHJLZLU-OAHLLOKOSA-N 0 0 430.530 2.601 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)CC1 ZINC000006577640 562947742 /nfs/dbraw/zinc/94/77/42/562947742.db2.gz YHVSMYOXALZXSL-UHFFFAOYSA-N 0 0 440.909 2.695 50 0 IFAARN COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1 ZINC000006577928 562947958 /nfs/dbraw/zinc/94/79/58/562947958.db2.gz JQCRCHZLCXICRB-UHFFFAOYSA-N 0 0 429.450 2.921 50 0 IFAARN CCOC(=O)N1CCN(C(=O)C[S@](=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1 ZINC000006578222 562948049 /nfs/dbraw/zinc/94/80/49/562948049.db2.gz RUQKANRODBWMQC-PMERELPUSA-N 0 0 433.530 2.508 50 0 IFAARN COc1cccc(-c2nc(C[S@](=O)CC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)c1 ZINC000006578207 562948062 /nfs/dbraw/zinc/94/80/62/562948062.db2.gz GTXCQUJBKCEAFT-WJOKGBTCSA-N 0 0 442.493 2.952 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000006821400 562948454 /nfs/dbraw/zinc/94/84/54/562948454.db2.gz DNMISKGVNCVSCQ-NDXORKPFSA-N 0 0 442.512 2.934 50 0 IFAARN CCOc1ccc(CN(CC)C(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)cc1OC ZINC000008012769 562948781 /nfs/dbraw/zinc/94/87/81/562948781.db2.gz AWYSFSIBZUKPON-UHFFFAOYSA-N 0 0 425.485 2.779 50 0 IFAARN COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NCc4ccccc4)cc3)c(=O)c2cc1OC ZINC000008592171 562952301 /nfs/dbraw/zinc/95/23/01/562952301.db2.gz XHXCMWXDSLAAEI-UHFFFAOYSA-N 0 0 445.475 2.685 50 0 IFAARN COCCCNC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000008592599 562952414 /nfs/dbraw/zinc/95/24/14/562952414.db2.gz KJDQSALBKXNWEW-LJQANCHMSA-N 0 0 442.512 2.952 50 0 aggregator IFAARN Cc1noc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)n1 ZINC000008593659 562952837 /nfs/dbraw/zinc/95/28/37/562952837.db2.gz FTLDCSOQTAHNBM-UHFFFAOYSA-N 0 0 433.468 2.665 50 0 IFAARN CCCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(C)c1)N2 ZINC000008596343 562953790 /nfs/dbraw/zinc/95/37/90/562953790.db2.gz QOJJOLPHFSXMOY-FQEVSTJZSA-N 0 0 429.542 2.873 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N(C)Cc1ccccc1)cn2C ZINC000008597110 562953925 /nfs/dbraw/zinc/95/39/25/562953925.db2.gz IQNGMKKPQHUIKS-UHFFFAOYSA-N 0 0 441.553 2.841 50 0 IFAARN O=C1CS(=O)(=O)[C@@]2(c3ccccc3N(Cc3cccc(F)c3)C2=O)N1c1ccccc1 ZINC000008597688 562954044 /nfs/dbraw/zinc/95/40/44/562954044.db2.gz CYKPDVJOXUTIHL-HSZRJFAPSA-N 0 0 436.464 2.987 50 0 IFAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccco2)cc1 ZINC000008601314 562955273 /nfs/dbraw/zinc/95/52/73/562955273.db2.gz XJSWMTABZOTXTO-OAQYLSRUSA-N 0 0 440.521 2.578 50 0 IFAARN O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008601626 562955502 /nfs/dbraw/zinc/95/55/02/562955502.db2.gz TWJJUFUDRIFOAW-GOSISDBHSA-N 0 0 445.516 2.536 50 0 IFAARN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c1C ZINC000008603605 562956000 /nfs/dbraw/zinc/95/60/00/562956000.db2.gz ZQLXQVBZCKBDLS-MRXNPFEDSA-N 0 0 443.525 2.788 50 0 IFAARN CCOc1ccccc1CNC(=O)c1cnc2sc(N3CCCCCC3)nn2c1=O ZINC000008603807 562956118 /nfs/dbraw/zinc/95/61/18/562956118.db2.gz WTWMYSGJFDWFJY-UHFFFAOYSA-N 0 0 427.530 2.860 50 0 IFAARN CNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccc(F)cc3)c2=O)CC1 ZINC000008605781 562956882 /nfs/dbraw/zinc/95/68/82/562956882.db2.gz AYPMCGGFPQPNMP-UHFFFAOYSA-N 0 0 429.517 2.965 50 0 IFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000008607582 562957346 /nfs/dbraw/zinc/95/73/46/562957346.db2.gz HMAXNUVCJRBFNI-UHFFFAOYSA-N 0 0 441.937 2.697 50 0 IFAARN COc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)c1 ZINC000008609536 562957832 /nfs/dbraw/zinc/95/78/32/562957832.db2.gz WGCITFPXCFINMP-IBGZPJMESA-N 0 0 441.553 2.904 50 0 IFAARN COc1cc(OC)c(NC(=O)Cn2cnc3nc4c(cc3c2=O)CCCC4)cc1Cl ZINC000008610395 562958192 /nfs/dbraw/zinc/95/81/92/562958192.db2.gz JSNLYCYAJVUYKR-UHFFFAOYSA-N 0 0 428.876 2.980 50 0 IFAARN CC(C)OC(=O)c1cccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)c1 ZINC000008613838 562959468 /nfs/dbraw/zinc/95/94/68/562959468.db2.gz MBZGZALRVSWBJL-UHFFFAOYSA-N 0 0 426.498 2.936 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000008673286 562961155 /nfs/dbraw/zinc/96/11/55/562961155.db2.gz UBQDOOYCWBCKTB-UHFFFAOYSA-N 0 0 425.482 2.515 50 0 IFAARN Cc1cccc(Nc2nnc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)s2)c1C ZINC000008684850 562962273 /nfs/dbraw/zinc/96/22/73/562962273.db2.gz AWLHBDGGBFPFFO-CYBMUJFWSA-N 0 0 426.589 2.636 50 0 IFAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)N[C@H](C)c2ccccc2)C(C)C)c1 ZINC000008691234 562963455 /nfs/dbraw/zinc/96/34/55/562963455.db2.gz PYEKAIRCTGCVQW-ZHRRBRCNSA-N 0 0 442.512 2.879 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2c(C)noc2C)c1 ZINC000008692388 562963627 /nfs/dbraw/zinc/96/36/27/562963627.db2.gz UMEUFRUKDZQPKI-UHFFFAOYSA-N 0 0 443.909 2.771 50 0 IFAARN Cc1cccc(C(=O)NC(=S)N2CCN(C(=S)NC(=O)c3cccc(C)c3)CC2)c1 ZINC000008774481 562964091 /nfs/dbraw/zinc/96/40/91/562964091.db2.gz WMYVFAFYLQGONS-UHFFFAOYSA-N 0 0 440.594 2.651 50 0 IFAARN COc1ccc(C(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)cc1OC ZINC000008822426 562964380 /nfs/dbraw/zinc/96/43/80/562964380.db2.gz KNHXHOVLVPWVDU-UHFFFAOYSA-N 0 0 434.499 2.809 50 0 IFAARN O=C(COC(=O)c1cccnc1SCC(=O)NCc1ccccc1)NCc1ccccc1 ZINC000008828848 562964598 /nfs/dbraw/zinc/96/45/98/562964598.db2.gz ULUYBUXGTCJWJC-UHFFFAOYSA-N 0 0 449.532 2.963 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCOc1ccccc1 ZINC000008860971 562965393 /nfs/dbraw/zinc/96/53/93/562965393.db2.gz KDRMBSURSRFMKT-UHFFFAOYSA-N 0 0 434.514 2.514 50 0 IFAARN COc1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008868026 562965519 /nfs/dbraw/zinc/96/55/19/562965519.db2.gz OWPBSVTULDRTLF-INIZCTEOSA-N 0 0 427.478 2.631 50 0 IFAARN O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000008862517 562965521 /nfs/dbraw/zinc/96/55/21/562965521.db2.gz YUYUELJGFGDPIF-UHFFFAOYSA-N 0 0 433.505 2.699 50 0 IFAARN CC[C@H](C(=O)NCCc1ccc(OC)cc1OC)n1nc(C)n2c3ccoc3cc2c1=O ZINC000008965070 562966328 /nfs/dbraw/zinc/96/63/28/562966328.db2.gz IQTVPVHBUXKLTI-QGZVFWFLSA-N 0 0 438.484 2.878 50 0 IFAARN CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000009097096 562967062 /nfs/dbraw/zinc/96/70/62/562967062.db2.gz CDCQKASYZALFRI-HXUWFJFHSA-N 0 0 448.541 2.584 50 0 IFAARN O=C(COC(=O)c1cc2c(s1)CCCC2)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009127460 562967514 /nfs/dbraw/zinc/96/75/14/562967514.db2.gz CKNJMOMFIWDRFC-SFHVURJKSA-N 0 0 447.578 3.000 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1 ZINC000009232905 562968327 /nfs/dbraw/zinc/96/83/27/562968327.db2.gz LKDAAJYZVHHUDW-UHFFFAOYSA-N 0 0 440.496 2.675 50 0 IFAARN COc1ccccc1CNC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000009351232 562969440 /nfs/dbraw/zinc/96/94/40/562969440.db2.gz BWPVCEIAPSQVFD-UHFFFAOYSA-N 0 0 442.537 2.883 50 0 IFAARN O=C(CSc1cccc2cccnc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009403200 562970015 /nfs/dbraw/zinc/97/00/15/562970015.db2.gz QPVPCRMOVBLWQG-UHFFFAOYSA-N 0 0 443.550 2.987 50 0 IFAARN CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)CC1 ZINC000009429429 562970583 /nfs/dbraw/zinc/97/05/83/562970583.db2.gz BTDWRUWFBLMMOV-MRXNPFEDSA-N 0 0 447.601 2.691 50 0 IFAARN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000009431205 562970671 /nfs/dbraw/zinc/97/06/71/562970671.db2.gz CDCNVBIDCZGNFT-HXUWFJFHSA-N 0 0 444.553 2.750 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc2ccccc2n1 ZINC000009438538 562971069 /nfs/dbraw/zinc/97/10/69/562971069.db2.gz IQARNJQSOWHGBW-UHFFFAOYSA-N 0 0 427.482 2.589 50 0 IFAARN O=C(COC(=O)c1ccco1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009438969 562971082 /nfs/dbraw/zinc/97/10/82/562971082.db2.gz QJNBMLLBCHTRCZ-UHFFFAOYSA-N 0 0 426.878 2.903 50 0 IFAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000009440418 562971166 /nfs/dbraw/zinc/97/11/66/562971166.db2.gz PPQOEJJUWKRGKU-UHFFFAOYSA-N 0 0 438.889 2.872 50 0 IFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1C ZINC000009462520 562971454 /nfs/dbraw/zinc/97/14/54/562971454.db2.gz YSBQUSHBAVZNMV-HOTGVXAUSA-N 0 0 426.469 2.894 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCn3ccnc3)cc2)cc1 ZINC000009506900 562972441 /nfs/dbraw/zinc/97/24/41/562972441.db2.gz YWSLICKHQLRQRE-UHFFFAOYSA-N 0 0 426.498 2.707 50 0 IFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccccc1F ZINC000009507811 562972461 /nfs/dbraw/zinc/97/24/61/562972461.db2.gz FOBGFQMBUJMQBX-UHFFFAOYSA-N 0 0 433.505 2.699 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc2ccccc2n1 ZINC000009510131 562972623 /nfs/dbraw/zinc/97/26/23/562972623.db2.gz QKUTWHQRGOLUAN-OAHLLOKOSA-N 0 0 441.509 2.978 50 0 IFAARN O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)Nc1ccc2c(c1)OCCO2 ZINC000009518558 562972824 /nfs/dbraw/zinc/97/28/24/562972824.db2.gz NAMHFPSXONJKSA-UHFFFAOYSA-N 0 0 426.454 2.502 50 0 IFAARN CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)N2CCCCCC2)c2ccccc21 ZINC000009519553 562972881 /nfs/dbraw/zinc/97/28/81/562972881.db2.gz QASXXBXBKYTCEF-UHFFFAOYSA-N 0 0 433.574 2.686 50 0 IFAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1 ZINC000009584028 562973538 /nfs/dbraw/zinc/97/35/38/562973538.db2.gz FDXVOSXBDXZUEX-OAQYLSRUSA-N 0 0 434.496 2.695 50 0 IFAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000009613332 562974207 /nfs/dbraw/zinc/97/42/07/562974207.db2.gz OIKRZQLOYCDDLV-UHFFFAOYSA-N 0 0 439.493 2.872 50 0 IFAARN CCOC(=O)C1=C(COC(=O)[C@@]2(C)CC2(Cl)Cl)NC(=O)N[C@@H]1c1ccccc1 ZINC000009630444 562974303 /nfs/dbraw/zinc/97/43/03/562974303.db2.gz COZCXKDCPHAIDQ-RDTXWAMCSA-N 0 0 427.284 2.985 50 0 IFAARN COc1ccc(CC(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)N1CCOCC1 ZINC000009632445 562974444 /nfs/dbraw/zinc/97/44/44/562974444.db2.gz YBJCIMSUHVPTHV-UHFFFAOYSA-N 0 0 438.933 2.859 50 0 IFAARN COc1ccc(CC(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000009632404 562974454 /nfs/dbraw/zinc/97/44/54/562974454.db2.gz QWBNEJWWCMMKJM-UHFFFAOYSA-N 0 0 442.896 2.690 50 0 IFAARN O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000009632892 562974469 /nfs/dbraw/zinc/97/44/69/562974469.db2.gz MJLGLMAGJDHEEE-UHFFFAOYSA-N 0 0 441.864 2.540 50 0 IFAARN Cc1ccc(C)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 ZINC000009633120 562974536 /nfs/dbraw/zinc/97/45/36/562974536.db2.gz FOTQRMJJLXIEMB-UHFFFAOYSA-N 0 0 435.473 2.503 50 0 IFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1c(C)noc1C ZINC000009665420 562975000 /nfs/dbraw/zinc/97/50/00/562975000.db2.gz OLAUDDYFXCTHKW-UHFFFAOYSA-N 0 0 447.488 2.721 50 0 IFAARN Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 ZINC000009712066 562975734 /nfs/dbraw/zinc/97/57/34/562975734.db2.gz KCADHTBABVGAKP-UHFFFAOYSA-N 0 0 429.542 2.868 50 0 IFAARN C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009714040 562975764 /nfs/dbraw/zinc/97/57/64/562975764.db2.gz LVMKYABAQDPPJF-LBPRGKRZSA-N 0 0 435.575 2.860 50 0 IFAARN CN(Cc1ccccc1)C(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O ZINC000009724313 562976056 /nfs/dbraw/zinc/97/60/56/562976056.db2.gz VVXONQBHCBBURW-UHFFFAOYSA-N 0 0 439.537 2.595 50 0 IFAARN Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1ccc(Br)cc1 ZINC000009748937 562976579 /nfs/dbraw/zinc/97/65/79/562976579.db2.gz IXXDGYHKLSDLRL-UHFFFAOYSA-N 0 0 430.262 2.695 50 0 IFAARN Cc1ccc([C@@H](C)NC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1C ZINC000009777686 562976764 /nfs/dbraw/zinc/97/67/64/562976764.db2.gz GZEUNQXNDAIZKY-QGZVFWFLSA-N 0 0 449.598 2.689 50 0 IFAARN Cc1sc2ncn(CC(=O)NCCCC(=O)N(C)Cc3ccccc3)c(=O)c2c1C ZINC000009775710 562976791 /nfs/dbraw/zinc/97/67/91/562976791.db2.gz FELQBKGUCYUSRP-UHFFFAOYSA-N 0 0 426.542 2.630 50 0 IFAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1c(F)c(F)c(F)c(F)c1F ZINC000010021511 562978278 /nfs/dbraw/zinc/97/82/78/562978278.db2.gz ONACRCMUDVJZMP-UHFFFAOYSA-N 0 0 434.342 2.554 50 0 IFAARN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2csc(C(C)C)n2)cc1 ZINC000011874677 562979664 /nfs/dbraw/zinc/97/96/64/562979664.db2.gz SLTNROFCOFYVKY-LJQANCHMSA-N 0 0 430.574 2.672 50 0 IFAARN CN(C[C@@H]1COCCO1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 ZINC000011965193 562980007 /nfs/dbraw/zinc/98/00/07/562980007.db2.gz NPEUQMOVNMVUFK-LJQANCHMSA-N 0 0 445.523 2.793 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)c(OC)c1 ZINC000012852710 562983226 /nfs/dbraw/zinc/98/32/26/562983226.db2.gz UPXKLTKGDSBJDF-ZIAGYGMSSA-N 0 0 429.498 2.941 50 0 IFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(Br)o2)c(=O)[nH]c1=O ZINC000012848670 562983232 /nfs/dbraw/zinc/98/32/32/562983232.db2.gz MNRLSUJSZRUVCB-UHFFFAOYSA-N 0 0 427.299 2.577 50 0 IFAARN CCCCN(C(=O)CSCc1c(C)noc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012897792 562983449 /nfs/dbraw/zinc/98/34/49/562983449.db2.gz FUMFXQPRQZGIIO-UHFFFAOYSA-N 0 0 437.566 2.590 50 0 IFAARN O=C(c1ccccc1F)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000013008765 562984034 /nfs/dbraw/zinc/98/40/34/562984034.db2.gz NDXLCGHGWOVYPQ-UHFFFAOYSA-N 0 0 426.517 2.961 50 0 IFAARN CCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 ZINC000015936361 563018800 /nfs/dbraw/zinc/01/88/00/563018800.db2.gz JNACVVWTDDVCOE-HNNXBMFYSA-N 0 0 445.541 2.690 50 0 IFAARN COc1ccc(CCNS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)cc1OC ZINC000015941384 563019405 /nfs/dbraw/zinc/01/94/05/563019405.db2.gz OALNPBFLJYAQDV-CQSZACIVSA-N 0 0 430.526 2.621 50 0 IFAARN COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000015941658 563019495 /nfs/dbraw/zinc/01/94/95/563019495.db2.gz PWOLAPMJRDRCJQ-CYBMUJFWSA-N 0 0 434.539 2.608 50 0 IFAARN COc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)cc1 ZINC000015942620 563019689 /nfs/dbraw/zinc/01/96/89/563019689.db2.gz MALCULBKNYWIMU-UHFFFAOYSA-N 0 0 436.516 2.696 50 0 IFAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000015942856 563019791 /nfs/dbraw/zinc/01/97/91/563019791.db2.gz OKEMWCRXMSXQIK-HUUCEWRRSA-N 0 0 443.525 2.553 50 0 IFAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)CC1 ZINC000015943276 563019966 /nfs/dbraw/zinc/01/99/66/563019966.db2.gz UVJAGDHMIJGBSO-OAHLLOKOSA-N 0 0 434.558 2.728 50 0 IFAARN Cc1ccc(N2C(=O)N[C@@](NS(=O)(=O)c3ccc(C)cc3)(C(F)(F)F)C2=O)cc1 ZINC000015952071 563020335 /nfs/dbraw/zinc/02/03/35/563020335.db2.gz GNEKNGOOHPASBH-KRWDZBQOSA-N 0 0 427.404 2.801 50 0 IFAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCCN1CCOCC1 ZINC000019342463 563022587 /nfs/dbraw/zinc/02/25/87/563022587.db2.gz LBSVETHHTRRNEP-UHFFFAOYSA-N 0 0 430.452 2.686 50 0 IFAARN O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000034888210 563088428 /nfs/dbraw/zinc/08/84/28/563088428.db2.gz GMUNILHLTBEHKF-CVNFFVDQSA-N 0 0 449.532 2.888 50 0 IFAARN Cn1c(OCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C ZINC000038139268 563096013 /nfs/dbraw/zinc/09/60/13/563096013.db2.gz DGPWBQIRROIGLF-UHFFFAOYSA-N 0 0 435.267 2.961 50 0 IFAARN COc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c(OC)n1 ZINC000055153054 563142422 /nfs/dbraw/zinc/14/24/22/563142422.db2.gz IMHLVXLVMJRSGR-QGZVFWFLSA-N 0 0 428.508 2.665 50 0 IFAARN O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)C(=O)NC1CCCCC1 ZINC000056945711 563142961 /nfs/dbraw/zinc/14/29/61/563142961.db2.gz DLRCOCMFQHUELU-NRFANRHFSA-N 0 0 442.535 2.847 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000095947972 563195022 /nfs/dbraw/zinc/19/50/22/563195022.db2.gz JZAUDPRTPXJYRR-OKILXGFUSA-N 0 0 432.502 2.859 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000022928934 568612899 /nfs/dbraw/zinc/61/28/99/568612899.db2.gz WVTDJTXGNQEPDZ-IBGZPJMESA-N 0 0 426.536 2.876 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCCC3)cc1 ZINC000000904341 568636217 /nfs/dbraw/zinc/63/62/17/568636217.db2.gz RIDRPGXQZVVDIL-UHFFFAOYSA-N 0 0 439.493 2.557 50 0 IFAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)OCC(=O)Nc1cccc4nsnc41)(C3)C2 ZINC000019078241 568637948 /nfs/dbraw/zinc/63/79/48/568637948.db2.gz NLOGSTGDWJSERF-ZXPDZVFASA-N 0 0 428.514 2.648 50 0 IFAARN O=S(=O)(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cccc2nsnc21 ZINC000019079914 568640962 /nfs/dbraw/zinc/64/09/62/568640962.db2.gz QQNPJZAPXYWKJH-UHFFFAOYSA-N 0 0 448.839 2.885 50 0 IFAARN Cn1nc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)c2ccccc2c1=O ZINC000015089639 568644351 /nfs/dbraw/zinc/64/43/51/568644351.db2.gz GAFLDFFGUQXLLC-UHFFFAOYSA-N 0 0 434.221 2.631 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2C1=O)NC(=S)Nc1ccc(Br)cc1 ZINC000000952665 568645809 /nfs/dbraw/zinc/64/58/09/568645809.db2.gz YHHDBZSGPGAHKH-UHFFFAOYSA-N 0 0 432.299 2.948 50 0 IFAARN Cc1ccccc1NC(=O)C1(N(Cc2ccco2)C(=O)Cn2nnnc2N)CCCCC1 ZINC000000970331 568647426 /nfs/dbraw/zinc/64/74/26/568647426.db2.gz WTSZLOPEDLZXJT-UHFFFAOYSA-N 0 0 437.504 2.527 50 0 IFAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O ZINC000025276521 568650981 /nfs/dbraw/zinc/65/09/81/568650981.db2.gz GCENAAUSWSWATI-UHFFFAOYSA-N 0 0 429.477 2.713 50 0 IFAARN O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000025315686 568653210 /nfs/dbraw/zinc/65/32/10/568653210.db2.gz FLDIBLJOLIDZKN-UHFFFAOYSA-N 0 0 447.491 2.915 50 0 IFAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000025407373 568657646 /nfs/dbraw/zinc/65/76/46/568657646.db2.gz HQFJQXMCDAKBOI-ZRGWGRIASA-N 0 0 425.520 2.723 50 0 IFAARN CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(C)(=O)=O ZINC000001099445 568659121 /nfs/dbraw/zinc/65/91/21/568659121.db2.gz QERGOXQITVOAME-UHFFFAOYSA-N 0 0 429.542 2.890 50 0 IFAARN NS(=O)(=O)c1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000001105857 568660593 /nfs/dbraw/zinc/66/05/93/568660593.db2.gz PCDDXUAKDPYZOU-SFHVURJKSA-N 0 0 433.873 2.631 50 0 IFAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCCc2ccccc21 ZINC000015186350 568732079 /nfs/dbraw/zinc/73/20/79/568732079.db2.gz GWSGRYQOIVFYHG-KRWDZBQOSA-N 0 0 442.537 2.996 50 0 IFAARN COc1ccc(/C=c2/sc3n(c2=O)CN(c2cccc(C(F)(F)F)c2)CN=3)cc1OC ZINC000001179542 568735888 /nfs/dbraw/zinc/73/58/88/568735888.db2.gz UQCZYQALKASKRW-GIJQJNRQSA-N 0 0 449.454 2.829 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=S)NCCCOC)c1 ZINC000006026360 568740265 /nfs/dbraw/zinc/74/02/65/568740265.db2.gz FDSDYEZQBKSDJI-UHFFFAOYSA-N 0 0 428.624 2.640 50 0 IFAARN CCOC(=O)C1=C(Cn2cnc3sccc3c2=O)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000031641324 568741426 /nfs/dbraw/zinc/74/14/26/568741426.db2.gz CQTLEMXXJJXGOE-MRXNPFEDSA-N 0 0 444.900 2.983 50 0 IFAARN C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O ZINC000003240011 568743514 /nfs/dbraw/zinc/74/35/14/568743514.db2.gz JDLTVVQJISNBGP-LLVKDONJSA-N 0 0 431.242 2.616 50 0 IFAARN O=C(NCc1cccs1)C(=O)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000043942442 568743902 /nfs/dbraw/zinc/74/39/02/568743902.db2.gz UJZSIJMGIXZPEU-UHFFFAOYSA-N 0 0 425.510 2.779 50 0 IFAARN CCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl ZINC000003259375 568744194 /nfs/dbraw/zinc/74/41/94/568744194.db2.gz GWNDWAOMCYZFAN-UHFFFAOYSA-N 0 0 426.256 2.699 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000003265498 568744302 /nfs/dbraw/zinc/74/43/02/568744302.db2.gz ACWAJZBOHSPAIK-UHFFFAOYSA-N 0 0 441.509 2.767 50 0 IFAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)N1CCCC1 ZINC000003273452 568744672 /nfs/dbraw/zinc/74/46/72/568744672.db2.gz PBDLLGFWWDOSSU-UHFFFAOYSA-N 0 0 448.928 2.871 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCCOc2ccc(Br)cc2)cc1 ZINC000003291086 568745370 /nfs/dbraw/zinc/74/53/70/568745370.db2.gz GBKBPMPRESNFQA-UHFFFAOYSA-N 0 0 428.304 2.935 50 0 IFAARN C[C@H](OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000003299771 568745500 /nfs/dbraw/zinc/74/55/00/568745500.db2.gz VPZQBOVFMRBWOM-JTQLQIEISA-N 0 0 436.251 2.979 50 0 IFAARN Cn1cccc(C(=O)N2CCC(CNC(=O)C3(c4cccs4)CCCC3)CC2)c1=O ZINC000044001000 568745528 /nfs/dbraw/zinc/74/55/28/568745528.db2.gz UATDRWBCQZLOJY-UHFFFAOYSA-N 0 0 427.570 2.927 50 0 IFAARN Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)c1 ZINC000003321139 568746057 /nfs/dbraw/zinc/74/60/57/568746057.db2.gz ROBMFWQZJWPHAR-SFHVURJKSA-N 0 0 434.489 2.778 50 0 IFAARN COc1ccc(CNC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1OC ZINC000003352825 568746873 /nfs/dbraw/zinc/74/68/73/568746873.db2.gz LWLJAPFGBKYCGJ-KRWDZBQOSA-N 0 0 428.510 2.738 50 0 IFAARN Cc1noc(C)c1CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 ZINC000003356328 568747161 /nfs/dbraw/zinc/74/71/61/568747161.db2.gz DAOZHBVKRNTFKJ-UHFFFAOYSA-N 0 0 436.515 2.655 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2Br)OCCO3)c1 ZINC000003439985 568749455 /nfs/dbraw/zinc/74/94/55/568749455.db2.gz UYIQRICIYSEGNZ-UHFFFAOYSA-N 0 0 441.303 2.723 50 0 IFAARN NC(=O)c1cc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)cc(C(N)=O)c1 ZINC000003430875 568749496 /nfs/dbraw/zinc/74/94/96/568749496.db2.gz XOGAYEMQKOOTSW-UHFFFAOYSA-N 0 0 431.857 2.548 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O ZINC000003441698 568749589 /nfs/dbraw/zinc/74/95/89/568749589.db2.gz SOKPLJBRWIBILB-IBGZPJMESA-N 0 0 426.494 2.589 50 0 IFAARN Cc1cc(Br)ccc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000003443637 568749624 /nfs/dbraw/zinc/74/96/24/568749624.db2.gz ZARVSSYENLPMAD-UHFFFAOYSA-N 0 0 443.388 2.856 50 0 IFAARN CCN(C(=O)CSc1ncnc2sc3c(c21)CC[C@@H](C)C3)[C@@H]1CCS(=O)(=O)C1 ZINC000003502802 568750385 /nfs/dbraw/zinc/75/03/85/568750385.db2.gz JLHZYHRJSXRUHR-CHWSQXEVSA-N 0 0 439.628 2.944 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)c(C)c3)CC2)cc1 ZINC000003554304 568750648 /nfs/dbraw/zinc/75/06/48/568750648.db2.gz FRTKNTHZLKCKCJ-UHFFFAOYSA-N 0 0 438.933 2.569 50 0 IFAARN COc1ccc(Br)c(C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 ZINC000003557083 568750704 /nfs/dbraw/zinc/75/07/04/568750704.db2.gz UBWCNDLESSEOEM-UHFFFAOYSA-N 0 0 435.274 2.955 50 0 IFAARN COc1ccc(-c2cc(=NC(=O)c3ccccc3F)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158088 568750811 /nfs/dbraw/zinc/75/08/11/568750811.db2.gz NQBIWRLQUHXVEF-OAHLLOKOSA-N 0 0 429.473 2.732 50 0 IFAARN COc1ccc(-c2cc(=NC(=O)/C=C/c3ccccc3)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158301 568750856 /nfs/dbraw/zinc/75/08/56/568750856.db2.gz FNWOGMJJWLTVCJ-NGFXTQEWSA-N 0 0 437.521 2.992 50 0 IFAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000015281021 568754790 /nfs/dbraw/zinc/75/47/90/568754790.db2.gz OTFQULYTKGHZSB-UHFFFAOYSA-N 0 0 438.933 2.995 50 0 IFAARN O=C(Cn1c(=O)oc2ccccc21)N1CCC2(C[C@@H]2C(=O)NCc2cccs2)CC1 ZINC000299769455 568756538 /nfs/dbraw/zinc/75/65/38/568756538.db2.gz NHXWGGSOEXIBAI-MRXNPFEDSA-N 0 0 425.510 2.601 50 0 IFAARN Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1cccc(F)c1F)CC2 ZINC000299775720 568756832 /nfs/dbraw/zinc/75/68/32/568756832.db2.gz HUSQDSRUVYMBDY-MOEXGYKKSA-N 0 0 430.455 2.957 50 0 IFAARN COc1ccccc1[C@@]1(CC(=O)N2CCC[C@H](OC)C2)CC(=O)N(C2CCCC2)C1=O ZINC000299774866 568756839 /nfs/dbraw/zinc/75/68/39/568756839.db2.gz JJQNKLJWJFZUPX-MHECFPHRSA-N 0 0 428.529 2.662 50 0 IFAARN COCCCN1C(=O)C[C@](CC(=O)N[C@H](C)c2nccs2)(c2ccccc2C)C1=O ZINC000299794432 568757723 /nfs/dbraw/zinc/75/77/23/568757723.db2.gz KQRAMXMFCYDLTQ-OPAMFIHVSA-N 0 0 429.542 2.752 50 0 IFAARN O=C([C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccs2)C3=O)C1)N1CCOCC1 ZINC000299800787 568758011 /nfs/dbraw/zinc/75/80/11/568758011.db2.gz YLUONGWTBSSFQJ-INIZCTEOSA-N 0 0 439.537 2.620 50 0 IFAARN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000015327566 568758359 /nfs/dbraw/zinc/75/83/59/568758359.db2.gz RNUOUCKNDZSEPR-UHFFFAOYSA-N 0 0 429.542 2.807 50 0 IFAARN Cc1occc1-c1nnc(S[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)o1 ZINC000078253975 568760775 /nfs/dbraw/zinc/76/07/75/568760775.db2.gz BNPZORCYUNZBQC-MRXNPFEDSA-N 0 0 428.518 2.894 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000015391097 568761515 /nfs/dbraw/zinc/76/15/15/568761515.db2.gz VGFDYBOAWJOFMH-MRXNPFEDSA-N 0 0 432.498 2.996 50 0 IFAARN COc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1Cl ZINC000263616590 568776820 /nfs/dbraw/zinc/77/68/20/568776820.db2.gz JOLLLMMEWGAZRC-UHFFFAOYSA-N 0 0 438.871 2.956 50 0 IFAARN O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1nc(Cc2cccc(F)c2)no1 ZINC000263618424 568777714 /nfs/dbraw/zinc/77/77/14/568777714.db2.gz SXTYWGHLAAUEOC-UHFFFAOYSA-N 0 0 449.417 2.956 50 0 IFAARN CCc1cccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccccc5)no4)c3C2=O)c1 ZINC000263618353 568778211 /nfs/dbraw/zinc/77/82/11/568778211.db2.gz SOABSGURPYEBFP-UHFFFAOYSA-N 0 0 443.467 2.652 50 0 IFAARN O=C(c1ncn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCC(C(=O)N2CCCC2)CC1 ZINC000263618183 568778235 /nfs/dbraw/zinc/77/82/35/568778235.db2.gz RRCHCHYJTVYBNL-FQEVSTJZSA-N 0 0 426.492 2.768 50 0 IFAARN COc1ccc(-c2nn3ccn(Cc4noc(-c5ccccc5)n4)c(=O)c3c2CO)cc1 ZINC000263619592 568778422 /nfs/dbraw/zinc/77/84/22/568778422.db2.gz ZLEOAASCQWUSGY-UHFFFAOYSA-N 0 0 429.436 2.762 50 0 IFAARN CCn1cc(Br)c(C(=O)Nc2c3c(c(OC)c4c2CCN(C)C4)OCO3)n1 ZINC000032123952 568781720 /nfs/dbraw/zinc/78/17/20/568781720.db2.gz FXSLXJPQHMVPCA-UHFFFAOYSA-N 0 0 437.294 2.643 50 0 IFAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000015473727 568784497 /nfs/dbraw/zinc/78/44/97/568784497.db2.gz VUVGCMPRSFBMFN-UHFFFAOYSA-N 0 0 432.318 2.893 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1 ZINC000015470167 568784563 /nfs/dbraw/zinc/78/45/63/568784563.db2.gz REJYUQIJEIDJRE-OAQYLSRUSA-N 0 0 449.507 2.846 50 0 IFAARN COCCNS(=O)(=O)Cc1cccc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc32)c1 ZINC000223236637 568786464 /nfs/dbraw/zinc/78/64/64/568786464.db2.gz DIXPBYKPCLEFLF-UHFFFAOYSA-N 0 0 433.505 2.862 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(NC(=O)C3CC3)cc2)s1 ZINC000025887837 568787167 /nfs/dbraw/zinc/78/71/67/568787167.db2.gz HIRXQJHVXCHTNS-GOSISDBHSA-N 0 0 447.582 2.875 50 0 IFAARN O=C(OCCOCCNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1Cl ZINC000008768374 568793582 /nfs/dbraw/zinc/79/35/82/568793582.db2.gz QGSZJRNURNPITN-UHFFFAOYSA-N 0 0 443.308 2.906 50 0 IFAARN COc1ccc(CC(=O)Nc2ccc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000015500429 568795058 /nfs/dbraw/zinc/79/50/58/568795058.db2.gz FDGKQGNCQKGPJF-UHFFFAOYSA-N 0 0 438.933 2.859 50 0 IFAARN O=C(COC(=O)c1[nH]c2ccc(Br)cc2c1Cl)N[C@@H]1CCCCNC1=O ZINC000084451708 568797867 /nfs/dbraw/zinc/79/78/67/568797867.db2.gz NGYUEHRBDFGMNR-GFCCVEGCSA-N 0 0 442.697 2.526 50 0 IFAARN NC(=O)C1(NCC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)CCCC1 ZINC000084419181 568797889 /nfs/dbraw/zinc/79/78/89/568797889.db2.gz DZYBROWGNPCCIP-UHFFFAOYSA-N 0 0 433.306 2.963 50 0 IFAARN CC(C)[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000084456342 568798146 /nfs/dbraw/zinc/79/81/46/568798146.db2.gz RJRWIQSJZQPRLN-HGWQEYRNSA-N 0 0 433.574 2.997 50 0 IFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 ZINC000015615209 568799496 /nfs/dbraw/zinc/79/94/96/568799496.db2.gz PGWYGXGZURPSLK-QGZVFWFLSA-N 0 0 446.525 2.911 50 0 IFAARN C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(C[C@H](O)c2cccc(Br)c2)C1=O ZINC000084668125 568799740 /nfs/dbraw/zinc/79/97/40/568799740.db2.gz SVCFVQZJIOWQJF-MGPUTAFESA-N 0 0 447.285 2.764 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN(Cc2cccc(F)c2)C2CC2)C1=O ZINC000084668174 568799803 /nfs/dbraw/zinc/79/98/03/568799803.db2.gz RQTFXKSOOGBHBC-DEOSSOPVSA-N 0 0 438.503 2.765 50 0 IFAARN CCCCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)Nc4cccnc4)CC3)cc2C1=O ZINC000084744441 568800826 /nfs/dbraw/zinc/80/08/26/568800826.db2.gz CSEJUIVRLXKJLY-UHFFFAOYSA-N 0 0 434.496 2.969 50 0 IFAARN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000084739835 568800917 /nfs/dbraw/zinc/80/09/17/568800917.db2.gz KUVCNOLCHLDCHP-GJZGRUSLSA-N 0 0 436.350 2.709 50 0 IFAARN CCOC(=O)C[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1cccc(OC)c1 ZINC000084792603 568801200 /nfs/dbraw/zinc/80/12/00/568801200.db2.gz QXWPJSNMZPXGSU-WKRCXCSHSA-N 0 0 449.573 2.532 50 0 IFAARN COC(=O)C1=C(OC(=O)COc2ccc(C)cc2)c2ccccc2S(=O)(=O)N1C(C)C ZINC000015669528 568801992 /nfs/dbraw/zinc/80/19/92/568801992.db2.gz LMILTJVFWLOUGT-UHFFFAOYSA-N 0 0 445.493 2.872 50 0 IFAARN O=C(C1CCN(c2nc3ccccc3n3cccc23)CC1)N1CCN(c2ncccn2)CC1 ZINC000015676892 568804312 /nfs/dbraw/zinc/80/43/12/568804312.db2.gz HSUKIZCGQIKFCX-UHFFFAOYSA-N 0 0 441.539 2.843 50 0 IFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)C=C2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000015678491 568805253 /nfs/dbraw/zinc/80/52/53/568805253.db2.gz LHGFMGPDDXQOLT-UHFFFAOYSA-N 0 0 432.933 2.709 50 0 IFAARN CN(CC(=O)Nc1cccc2c1CCCC2)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000015678652 568805501 /nfs/dbraw/zinc/80/55/01/568805501.db2.gz AJRQNWCYSSAHPM-UHFFFAOYSA-N 0 0 425.510 2.666 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)ccc1F ZINC000015680573 568806218 /nfs/dbraw/zinc/80/62/18/568806218.db2.gz IWOLXQVPNDVXPN-UHFFFAOYSA-N 0 0 434.518 2.732 50 0 IFAARN COc1ccc(-c2noc(CN3CCC(C(=O)NCc4ccco4)CC3)n2)cc1OC ZINC000015726314 568812329 /nfs/dbraw/zinc/81/23/29/568812329.db2.gz QLHILPLRVGMCQH-UHFFFAOYSA-N 0 0 426.473 2.875 50 0 IFAARN COc1ccccc1CNC(=O)[C@@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000015726686 568812434 /nfs/dbraw/zinc/81/24/34/568812434.db2.gz MVFQMNARJYHURB-UONOGXRCSA-N 0 0 448.566 2.854 50 0 IFAARN C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(=O)NCc1ccc(F)cc1 ZINC000015726702 568812498 /nfs/dbraw/zinc/81/24/98/568812498.db2.gz QHMSMAWZCKAYED-OLZOCXBDSA-N 0 0 436.530 2.985 50 0 IFAARN COc1cccc(CNC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000015726693 568812563 /nfs/dbraw/zinc/81/25/63/568812563.db2.gz IEEXTULCZYWKRN-KGLIPLIRSA-N 0 0 448.566 2.854 50 0 IFAARN CN1CCN(c2nnc(-n3cccc3CN3CCN(c4ccc(F)cc4)CC3)s2)CC1 ZINC000015728189 568813139 /nfs/dbraw/zinc/81/31/39/568813139.db2.gz BOQQNFBSOPHGJI-UHFFFAOYSA-N 0 0 441.580 2.542 50 0 IFAARN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n32)c1 ZINC000015732595 568815535 /nfs/dbraw/zinc/81/55/35/568815535.db2.gz RYXNUKWQXHDRKP-UHFFFAOYSA-N 0 0 437.481 2.833 50 0 IFAARN COc1ccccc1/C=C/C=c1\sc2nc(=O)c(Cc3ccccc3Cl)nn2c1=O ZINC000001451321 568818602 /nfs/dbraw/zinc/81/86/02/568818602.db2.gz BWOPVGDPTXLRNR-MUFYDRSQSA-N 0 0 437.908 2.977 50 0 IFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)CC1 ZINC000011907615 568819412 /nfs/dbraw/zinc/81/94/12/568819412.db2.gz SVZGLWSUQNKXJK-UHFFFAOYSA-N 0 0 429.542 2.723 50 0 IFAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCC(Cc4ccccc4)CC3)cn2)CC1 ZINC000015767071 568821554 /nfs/dbraw/zinc/82/15/54/568821554.db2.gz JRAVIPOXXKFWSI-UHFFFAOYSA-N 0 0 444.601 2.785 50 0 IFAARN Cc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccccn4)C(=O)C3=O)CC2)cc1C ZINC000015774596 568823319 /nfs/dbraw/zinc/82/33/19/568823319.db2.gz PCKPPWFAMLYATR-UHFFFAOYSA-N 0 0 435.528 2.566 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000015775615 568823436 /nfs/dbraw/zinc/82/34/36/568823436.db2.gz JIZVBMYDWMTMPG-OAQYLSRUSA-N 0 0 445.516 2.917 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000015775545 568823469 /nfs/dbraw/zinc/82/34/69/568823469.db2.gz PZCNACZRYVYBSJ-OAQYLSRUSA-N 0 0 445.516 2.835 50 0 IFAARN CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000001480285 568824293 /nfs/dbraw/zinc/82/42/93/568824293.db2.gz MIBPKHXZZADDNP-INIZCTEOSA-N 0 0 447.513 2.912 50 0 IFAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCCOC(C)C)CC3)ccc21 ZINC000015784266 568827218 /nfs/dbraw/zinc/82/72/18/568827218.db2.gz LCCMMVMBVPVLLF-UHFFFAOYSA-N 0 0 435.590 2.993 50 0 IFAARN CCOc1cc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)ccc1OC ZINC000085628417 568828473 /nfs/dbraw/zinc/82/84/73/568828473.db2.gz SWMSTKCXZYLJNO-KRWDZBQOSA-N 0 0 436.512 2.863 50 0 IFAARN CC(=O)Nc1cccc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c1C ZINC000085642159 568828847 /nfs/dbraw/zinc/82/88/47/568828847.db2.gz WSLGMUWUKHJHOW-UHFFFAOYSA-N 0 0 442.497 2.691 50 0 IFAARN COc1ccccc1NC(=O)Cn1nc2c3cc(-c4ccc(C)cc4)nn3ccn2c1=O ZINC000085643011 568829404 /nfs/dbraw/zinc/82/94/04/568829404.db2.gz YXEJYKMQTUBUPP-UHFFFAOYSA-N 0 0 428.452 2.766 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(C)ccc4o3)CC2)cc1 ZINC000085649977 568831256 /nfs/dbraw/zinc/83/12/56/568831256.db2.gz DGQBPSQWNYCLHV-UHFFFAOYSA-N 0 0 428.514 2.601 50 0 IFAARN CC1CCN(C(=O)Cn2c3ccc(S(=O)(=O)NC4CCCC4)cc3sc2=O)CC1 ZINC000085651659 568831428 /nfs/dbraw/zinc/83/14/28/568831428.db2.gz HUBPCMXVMQXHAL-UHFFFAOYSA-N 0 0 437.587 2.542 50 0 IFAARN Cc1cccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3sc2=O)c1 ZINC000085651940 568831640 /nfs/dbraw/zinc/83/16/40/568831640.db2.gz MSKYRMPQDJZQAE-UHFFFAOYSA-N 0 0 431.539 2.795 50 0 IFAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCC1 ZINC000085653499 568832254 /nfs/dbraw/zinc/83/22/54/568832254.db2.gz XKKKMJZXZONKFP-UHFFFAOYSA-N 0 0 437.587 2.687 50 0 IFAARN Cc1ccc(-n2nc(N3CCCN(C(=O)c4ccc(N(C)C)cc4)CC3)ccc2=O)cc1 ZINC000085654018 568832261 /nfs/dbraw/zinc/83/22/61/568832261.db2.gz SIVLBSYZTONQQX-UHFFFAOYSA-N 0 0 431.540 2.959 50 0 IFAARN O=C(CC1CCCCC1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015786538 568836316 /nfs/dbraw/zinc/83/63/16/568836316.db2.gz KNOXPXZWOCWNSN-UHFFFAOYSA-N 0 0 427.998 2.878 50 0 IFAARN CCCOc1ccc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1OCC ZINC000002366781 568838397 /nfs/dbraw/zinc/83/83/97/568838397.db2.gz VYLSZUNHMIBHHM-RGEXLXHISA-N 0 0 435.505 2.913 50 0 IFAARN COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)cc2c1OCCCO2 ZINC000085877176 568838575 /nfs/dbraw/zinc/83/85/75/568838575.db2.gz DVRYPIWFXPKVOI-KRWDZBQOSA-N 0 0 437.452 2.666 50 0 IFAARN COc1cc(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)cc(OC)c1OC ZINC000085879879 568839148 /nfs/dbraw/zinc/83/91/48/568839148.db2.gz ALRYNPIRZDALJX-UHFFFAOYSA-N 0 0 430.409 2.827 50 0 IFAARN O=C(c1ccccc1F)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000015821103 568839846 /nfs/dbraw/zinc/83/98/46/568839846.db2.gz MUQADIVJIUFSIT-UHFFFAOYSA-N 0 0 449.511 2.915 50 0 IFAARN CC[C@@H](C)NC(=O)CN1c2ccccc2S(=O)(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000015826927 568840679 /nfs/dbraw/zinc/84/06/79/568840679.db2.gz YSQHKLBURFDYFV-OAHLLOKOSA-N 0 0 431.514 2.741 50 0 IFAARN CCN(CC)C(=O)CN1c2ccccc2S(=O)(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000015826938 568840725 /nfs/dbraw/zinc/84/07/25/568840725.db2.gz YMRIEHUBILLBNW-UHFFFAOYSA-N 0 0 431.514 2.695 50 0 IFAARN CC1(C)O[C@H]2[C@H](O1)[C@H](COC(=O)c1ccccc1)OCO[C@@H]2COC(=O)c1ccccc1 ZINC000100970505 568843510 /nfs/dbraw/zinc/84/35/10/568843510.db2.gz PWLCYBVEONJDMJ-PLACYPQZSA-N 0 0 442.464 2.962 50 0 IFAARN CCOc1cc(Br)c(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000137478669 568845001 /nfs/dbraw/zinc/84/50/01/568845001.db2.gz IENSPAPYFICTAY-BXUZGUMPSA-N 0 0 435.365 2.900 50 0 IFAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)c(Cl)c2)C1=O ZINC000015858345 568846416 /nfs/dbraw/zinc/84/64/16/568846416.db2.gz DLOUHOCTYFLYAU-OAHLLOKOSA-N 0 0 447.944 2.615 50 0 IFAARN Cc1nc2ccccn2c(=O)c1Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1C ZINC000015859280 568846965 /nfs/dbraw/zinc/84/69/65/568846965.db2.gz CVRKDLWNFPTGRR-OAHLLOKOSA-N 0 0 434.525 2.842 50 0 IFAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1ccco1)c1cc(C)cc(C)c1 ZINC000015861077 568848030 /nfs/dbraw/zinc/84/80/30/568848030.db2.gz CXGORVNUJMQLFW-UHFFFAOYSA-N 0 0 430.530 2.758 50 0 IFAARN CCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1cc(OC)ccc1OC ZINC000015868377 568851185 /nfs/dbraw/zinc/85/11/85/568851185.db2.gz CBQNFUUJRLXCLD-UHFFFAOYSA-N 0 0 435.527 2.960 50 0 IFAARN COC(=O)C1CCN(C2=C(C(=O)Nc3ccc(C)cc3)S(=O)(=O)c3ccccc32)CC1 ZINC000015868055 568851416 /nfs/dbraw/zinc/85/14/16/568851416.db2.gz QRAQIBPSFDLFMZ-UHFFFAOYSA-N 0 0 440.521 2.975 50 0 IFAARN COc1ccc2nc(N3CCN(C(=O)CCS(=O)(=O)c4ccccc4)CC3)sc2c1 ZINC000015882390 568856509 /nfs/dbraw/zinc/85/65/09/568856509.db2.gz SGXXNPBTJZNQOA-UHFFFAOYSA-N 0 0 445.566 2.818 50 0 IFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(F)cc1F ZINC000015883431 568857582 /nfs/dbraw/zinc/85/75/82/568857582.db2.gz RPMWMTHIGTTWDW-UHFFFAOYSA-N 0 0 434.468 2.594 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)Cn2nc(C(=O)Nc3ccc(C)cc3)ccc2=O)cc1 ZINC000015884317 568858060 /nfs/dbraw/zinc/85/80/60/568858060.db2.gz IBYICLIHMXIVIL-UHFFFAOYSA-N 0 0 434.452 2.619 50 0 IFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000015883984 568858244 /nfs/dbraw/zinc/85/82/44/568858244.db2.gz CWLUMXYIDLTWCF-UHFFFAOYSA-N 0 0 431.475 2.549 50 0 IFAARN CCOC(=O)[C@]1(O)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1C ZINC000012893087 568858314 /nfs/dbraw/zinc/85/83/14/568858314.db2.gz IOSAZKOERPLFJJ-CSODHUTKSA-N 0 0 432.929 2.952 50 0 IFAARN COc1ccc(OC)c([C@H](C)NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000025055106 568861244 /nfs/dbraw/zinc/86/12/44/568861244.db2.gz ZQYFONXLCYTYTM-INIZCTEOSA-N 0 0 444.507 2.870 50 0 IFAARN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O ZINC000012939961 568868506 /nfs/dbraw/zinc/86/85/06/568868506.db2.gz ZIUSGPLNJLUBAT-MRXNPFEDSA-N 0 0 436.295 2.631 50 0 IFAARN O=S(=O)(NCCc1csc2nc(-c3ccccc3)nn12)c1ccc2c(c1)OCCO2 ZINC000016047677 568869163 /nfs/dbraw/zinc/86/91/63/568869163.db2.gz BSKPVGCSZZXGQW-UHFFFAOYSA-N 0 0 442.522 2.750 50 0 IFAARN Cc1cc(N2CCN(C(=O)c3cccc(S(=O)(=O)NC(C)C)c3)CC2)nc(C(C)C)n1 ZINC000016103362 568870672 /nfs/dbraw/zinc/87/06/72/568870672.db2.gz LPKSGRQJJNQDAY-UHFFFAOYSA-N 0 0 445.589 2.558 50 0 IFAARN CCOCc1c2ccccc2oc1C(=O)OCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000012947224 568871299 /nfs/dbraw/zinc/87/12/99/568871299.db2.gz WURXBKUFEGYVNV-UHFFFAOYSA-N 0 0 446.481 2.721 50 0 IFAARN CC[C@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2c1O ZINC000006181065 568872208 /nfs/dbraw/zinc/87/22/08/568872208.db2.gz POOQWQMLHGFVEC-HNNXBMFYSA-N 0 0 439.537 2.803 50 0 IFAARN Cc1ccc(NC(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c(Cl)c1 ZINC000575608486 568878392 /nfs/dbraw/zinc/87/83/92/568878392.db2.gz UXQAVASAAZEJMB-UHFFFAOYSA-N 0 0 431.928 2.592 50 0 IFAARN CN1c2ccc(F)cc2N(CCNC(=O)CCC(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000575610881 568879031 /nfs/dbraw/zinc/87/90/31/568879031.db2.gz BYHXFHHTSOITEV-UHFFFAOYSA-N 0 0 439.896 2.759 50 0 IFAARN O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575613804 568879813 /nfs/dbraw/zinc/87/98/13/568879813.db2.gz UTDUTSBVUPRTHM-KRWDZBQOSA-N 0 0 433.871 2.581 50 0 IFAARN Cc1nc(N2CCC(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)n1 ZINC000575614553 568879980 /nfs/dbraw/zinc/87/99/80/568879980.db2.gz WKTYKSVIEBNODU-NSHDSACASA-N 0 0 431.459 2.802 50 0 IFAARN Cc1ccc(/C=C/S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1 ZINC000575614890 568881051 /nfs/dbraw/zinc/88/10/51/568881051.db2.gz BKJAUYISETYLRO-FMIVXFBMSA-N 0 0 430.452 2.547 50 0 IFAARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)C1 ZINC000575617007 568881622 /nfs/dbraw/zinc/88/16/22/568881622.db2.gz MEVVXEVIYKHRKW-INIZCTEOSA-N 0 0 441.532 2.602 50 0 IFAARN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1cc(OC)ccc1OC ZINC000575617058 568881739 /nfs/dbraw/zinc/88/17/39/568881739.db2.gz WOBVMJMVBONGCN-QGCDCVKKSA-N 0 0 447.509 2.609 50 0 IFAARN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575618272 568882110 /nfs/dbraw/zinc/88/21/10/568882110.db2.gz UOZJABIWCLAYEC-VQIMIIECSA-N 0 0 434.471 2.752 50 0 IFAARN Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc5c(c4)OCO5)n3n2)c1 ZINC000009569097 568883957 /nfs/dbraw/zinc/88/39/57/568883957.db2.gz XUNFQMIJIWWXTA-UHFFFAOYSA-N 0 0 449.492 2.792 50 0 IFAARN COc1ccc(CCNC(=O)CSc2nnc(NC(=O)CC(C)C)s2)cc1OC ZINC000009599979 568884180 /nfs/dbraw/zinc/88/41/80/568884180.db2.gz MSNJOJKLOMSUCY-UHFFFAOYSA-N 0 0 438.575 2.991 50 0 IFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc43)cc2)C[C@@H](C)O1 ZINC000090503017 568886569 /nfs/dbraw/zinc/88/65/69/568886569.db2.gz GLICYGCVGVNGFL-CHWSQXEVSA-N 0 0 432.527 2.742 50 0 IFAARN CC[NH+](CC)[C@H](CNC(=O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000229735396 568886768 /nfs/dbraw/zinc/88/67/68/568886768.db2.gz WHNLKQQFOAPZBF-WOJBJXKFSA-N 0 0 442.608 2.976 50 0 IFAARN CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@]3(CCCC[C@H]3C)C1=O)O[C@@H](C)C2 ZINC000229700338 568886786 /nfs/dbraw/zinc/88/67/86/568886786.db2.gz MJKFMUXNDIJRQZ-USGALAMMSA-N 0 0 429.517 2.526 50 0 IFAARN COc1ccc([C@@H](NC(=O)CN2CCC[C@@H](C(=O)Nc3nncs3)C2)C(C)C)cc1 ZINC000229829944 568887053 /nfs/dbraw/zinc/88/70/53/568887053.db2.gz VHXJWKDCFUNQIT-APWZRJJASA-N 0 0 431.562 2.711 50 0 IFAARN CC(=O)N1CCN(C(=O)c2ccc(CSc3nc(C)c(C)c(N(C)C)n3)cc2)CC1 ZINC000006765367 568889325 /nfs/dbraw/zinc/88/93/25/568889325.db2.gz GILUQLNMKIVWQZ-UHFFFAOYSA-N 0 0 427.574 2.756 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)cc1OC ZINC000090609675 568891566 /nfs/dbraw/zinc/89/15/66/568891566.db2.gz ICEINTNQLSHHQR-HNNXBMFYSA-N 0 0 431.558 2.639 50 0 IFAARN O=C([C@@H]1CSc2nccc(=O)n2C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000090609891 568891578 /nfs/dbraw/zinc/89/15/78/568891578.db2.gz YPUKPJPSRGHZHT-NRFANRHFSA-N 0 0 446.576 2.899 50 0 IFAARN O=C1CCCN1c1ccc(Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1 ZINC000090610209 568891997 /nfs/dbraw/zinc/89/19/97/568891997.db2.gz ZUDYCFXMFKNEAV-UHFFFAOYSA-N 0 0 432.455 2.970 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NCC[C@@H](O)c3ccc4c(c3)OCO4)n(C)n2)c1 ZINC000090612580 568892349 /nfs/dbraw/zinc/89/23/49/568892349.db2.gz CQAZDMGEJQXXEZ-LJQANCHMSA-N 0 0 439.468 2.687 50 0 IFAARN O=C(NCc1ccc([C@@H](O)c2cccs2)s1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000090613773 568892538 /nfs/dbraw/zinc/89/25/38/568892538.db2.gz KFDBKDPAZFVVCB-SFHVURJKSA-N 0 0 430.507 2.553 50 0 IFAARN CSCc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000012987567 568895028 /nfs/dbraw/zinc/89/50/28/568895028.db2.gz WWSTYEYJZCSGQJ-UHFFFAOYSA-N 0 0 426.585 2.562 50 0 IFAARN O=C(CSc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012983932 568895472 /nfs/dbraw/zinc/89/54/72/568895472.db2.gz REUUBRZEMJOAEN-UHFFFAOYSA-N 0 0 449.550 2.844 50 0 IFAARN O=C(Nc1ccc(F)cc1)N1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000043962322 568896842 /nfs/dbraw/zinc/89/68/42/568896842.db2.gz ZRGXAIFJFRXCII-UHFFFAOYSA-N 0 0 449.504 2.819 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000013005528 568899345 /nfs/dbraw/zinc/89/93/45/568899345.db2.gz QRSBZXURSRPHST-CJNGLKHVSA-N 0 0 445.379 2.779 50 0 IFAARN CCS(=O)(=O)N1CCC(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)CC1 ZINC000013011832 568901006 /nfs/dbraw/zinc/90/10/06/568901006.db2.gz JIZUHLBUZARBLT-UHFFFAOYSA-N 0 0 444.479 2.743 50 0 IFAARN O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br ZINC000013013044 568901317 /nfs/dbraw/zinc/90/13/17/568901317.db2.gz GSYUQTYLDWBDDH-ZDUSSCGKSA-N 0 0 431.352 2.533 50 0 IFAARN CCCNC(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013016062 568901656 /nfs/dbraw/zinc/90/16/56/568901656.db2.gz YDLWUHUDZUSLEH-UHFFFAOYSA-N 0 0 425.533 2.984 50 0 IFAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000013022759 568902596 /nfs/dbraw/zinc/90/25/96/568902596.db2.gz AUGOBTSFZHQFIU-CYBMUJFWSA-N 0 0 441.347 2.944 50 0 IFAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccc(Br)cc2)N2CCCN32)cc1 ZINC000239377834 568911334 /nfs/dbraw/zinc/91/13/34/568911334.db2.gz OCXOEGZKKXKHMB-GBESFXJTSA-N 0 0 442.313 2.993 50 0 IFAARN Cc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(Br)c3)C(C(=O)[C@H]3CO3)=N2)cc1 ZINC000239433600 568911719 /nfs/dbraw/zinc/91/17/19/568911719.db2.gz YCFBQVVNYQQKNC-DLBZAZTESA-N 0 0 449.326 2.870 50 0 IFAARN CC(C)C[C@H](C(=O)O[C@H](C)C(=O)NCc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000241126180 568912213 /nfs/dbraw/zinc/91/22/13/568912213.db2.gz JKDGEPBEDYKLLP-VBSBHUPXSA-N 0 0 426.513 2.600 50 0 IFAARN COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)c1 ZINC000245246476 568913320 /nfs/dbraw/zinc/91/33/20/568913320.db2.gz MNUZQXZGLGFDJP-QTZVNIFKSA-N 0 0 443.503 2.822 50 0 IFAARN COc1cc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1O ZINC000245247564 568913447 /nfs/dbraw/zinc/91/34/47/568913447.db2.gz WCMOOBPRZMZNNB-RVKKMQEKSA-N 0 0 426.416 2.670 50 0 IFAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H](CO)c3ccccc3)CC2)cc1 ZINC000245257390 568914113 /nfs/dbraw/zinc/91/41/13/568914113.db2.gz ZGFFZQYJKHFUMH-JLMWRMLUSA-N 0 0 446.569 2.630 50 0 IFAARN COCCN1C(=O)[C@H]2[C@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000245310083 568914585 /nfs/dbraw/zinc/91/45/85/568914585.db2.gz HJLLEAXAUCBGJM-WKRCXCSHSA-N 0 0 433.508 2.682 50 0 IFAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000247938935 568918922 /nfs/dbraw/zinc/91/89/22/568918922.db2.gz HVGKNCXAETYDEW-KEXUJGGDSA-N 0 0 437.883 2.780 50 0 IFAARN C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000016550971 568921222 /nfs/dbraw/zinc/92/12/22/568921222.db2.gz JMYVBCOLIHMMMK-GOEBONIOSA-N 0 0 448.416 2.995 50 0 IFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000016550965 568921284 /nfs/dbraw/zinc/92/12/84/568921284.db2.gz JMYVBCOLIHMMMK-ZBFHGGJFSA-N 0 0 448.416 2.995 50 0 IFAARN O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000026900675 568924196 /nfs/dbraw/zinc/92/41/96/568924196.db2.gz KIATYPRIJHYIEG-SFHVURJKSA-N 0 0 443.338 2.628 50 0 IFAARN CCOc1ccc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)c(OCC)c1 ZINC000252632888 568926410 /nfs/dbraw/zinc/92/64/10/568926410.db2.gz VXTXUZAVSJYUOX-UHFFFAOYSA-N 0 0 441.536 2.552 50 0 IFAARN CS(=O)(=O)c1nc(C(=O)O[C@H](CSc2nc[nH]n2)c2ccccc2)c2ccccn21 ZINC000089493026 568926716 /nfs/dbraw/zinc/92/67/16/568926716.db2.gz RNWXJVHSRGIUKS-OAHLLOKOSA-N 0 0 443.510 2.546 50 0 IFAARN C[S@@](=O)C[C@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)c1ccccc1 ZINC000089493041 568926785 /nfs/dbraw/zinc/92/67/85/568926785.db2.gz FLINFBUWIIFFHB-MQNRADLISA-N 0 0 427.295 2.763 50 0 IFAARN CS(=O)(=O)c1ccc(N(Cc2ccccc2)CC2(O)CCCC2)c(S(C)(=O)=O)c1 ZINC000089490032 568926814 /nfs/dbraw/zinc/92/68/14/568926814.db2.gz PVDAXZQGFLWXQB-UHFFFAOYSA-N 0 0 437.583 2.805 50 0 IFAARN Cc1c(-c2nc(-c3ccncc3)no2)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000064439271 568928338 /nfs/dbraw/zinc/92/83/38/568928338.db2.gz FAVQBPCKCPFFSF-UHFFFAOYSA-N 0 0 436.497 2.891 50 0 IFAARN CCCCN(C)C(=O)c1ccc(Cn2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000064449202 568928467 /nfs/dbraw/zinc/92/84/67/568928467.db2.gz KQKDGAUKBDBJIY-UHFFFAOYSA-N 0 0 425.485 2.627 50 0 IFAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc32)no1 ZINC000064450670 568928912 /nfs/dbraw/zinc/92/89/12/568928912.db2.gz RQBHSUDZEJBMJQ-UHFFFAOYSA-N 0 0 442.497 2.975 50 0 IFAARN Cc1cccc(-c2nc3sc(N4CCN(CC(N)=O)CC4)nn3c2NC2CCCC2)c1 ZINC000064451973 568929264 /nfs/dbraw/zinc/92/92/64/568929264.db2.gz OZQUKVNLKVUNRW-UHFFFAOYSA-N 0 0 439.589 2.728 50 0 IFAARN COc1ccc(-n2ccn3c(SCC(=O)Nc4cccc(F)c4)nnc3c2=O)cc1 ZINC000064593170 568935725 /nfs/dbraw/zinc/93/57/25/568935725.db2.gz QNDGMCHLBXPHFA-UHFFFAOYSA-N 0 0 425.445 2.759 50 0 IFAARN COc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4OC)ccn23)cc1 ZINC000064593072 568935774 /nfs/dbraw/zinc/93/57/74/568935774.db2.gz PXYNUOQZRPJDGD-UHFFFAOYSA-N 0 0 437.481 2.628 50 0 IFAARN COc1ccccc1-n1ccn2c(SCC(=O)Nc3cccc(F)c3)nnc2c1=O ZINC000064593099 568935795 /nfs/dbraw/zinc/93/57/95/568935795.db2.gz AIXMNRXPFPXOJQ-UHFFFAOYSA-N 0 0 425.445 2.759 50 0 IFAARN Cc1sc2nc(CCC(=O)N3CCC[C@@H](C(=O)Nc4nccs4)C3)[nH]c(=O)c2c1C ZINC000089565236 568937550 /nfs/dbraw/zinc/93/75/50/568937550.db2.gz PCAPGJSWBKRXGG-CYBMUJFWSA-N 0 0 445.570 2.868 50 0 IFAARN Cc1cc(S(=O)(=O)N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)c(F)cc1F ZINC000089570468 568937916 /nfs/dbraw/zinc/93/79/16/568937916.db2.gz RPTYDSJKIGVONT-UHFFFAOYSA-N 0 0 432.496 2.965 50 0 IFAARN CCOC(=O)c1c(C)c(C(=O)OCCOC)sc1NC(=O)CN1CCCCCC1 ZINC000006612905 568941612 /nfs/dbraw/zinc/94/16/12/568941612.db2.gz PGFVIRDFBCJYEA-UHFFFAOYSA-N 0 0 426.535 2.851 50 0 IFAARN COc1cccc([C@@H]2CN(C(=O)NC(C)C)C[C@H]2C(=O)NCc2ccccn2)c1OC ZINC000036055254 568944388 /nfs/dbraw/zinc/94/43/88/568944388.db2.gz ULHPPGFYEZAJLT-RBUKOAKNSA-N 0 0 426.517 2.549 50 0 IFAARN COC(=O)c1ccccc1NC(=O)Cn1nc2ccc(Sc3ccc(C)cc3)nn2c1=O ZINC000064710117 568944689 /nfs/dbraw/zinc/94/46/89/568944689.db2.gz AUWISROIBUXDIV-UHFFFAOYSA-N 0 0 449.492 2.776 50 0 IFAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000036067884 568945320 /nfs/dbraw/zinc/94/53/20/568945320.db2.gz RETNWHCOOWIZKG-XBXARRHUSA-N 0 0 425.554 2.833 50 0 IFAARN O=C(NCc1ccccc1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036085139 568947775 /nfs/dbraw/zinc/94/77/75/568947775.db2.gz YJLZPDMOEBYEJE-UHFFFAOYSA-N 0 0 448.429 2.651 50 0 IFAARN Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)c(=O)n(Cc3cccnc3)c2=O)cc1 ZINC000036085105 568947823 /nfs/dbraw/zinc/94/78/23/568947823.db2.gz KFADSXNEAZJVMJ-UHFFFAOYSA-N 0 0 431.427 2.537 50 0 IFAARN CCN(CC)C(=O)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036085561 568948107 /nfs/dbraw/zinc/94/81/07/568948107.db2.gz KKJATOBDJJVPIY-UHFFFAOYSA-N 0 0 430.867 2.717 50 0 IFAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036085642 568948180 /nfs/dbraw/zinc/94/81/80/568948180.db2.gz NSLAQYITKMFXEO-CYBMUJFWSA-N 0 0 430.867 2.763 50 0 IFAARN C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O)c1ccccc1 ZINC000036085890 568948194 /nfs/dbraw/zinc/94/81/94/568948194.db2.gz LXPOBAMXGAJEMO-SFHVURJKSA-N 0 0 426.476 2.934 50 0 IFAARN O=C(NCc1ccccc1)c1nn(-c2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036085913 568948257 /nfs/dbraw/zinc/94/82/57/568948257.db2.gz OYEIXXNDESCMQB-UHFFFAOYSA-N 0 0 430.439 2.512 50 0 IFAARN O=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036085923 568948342 /nfs/dbraw/zinc/94/83/42/568948342.db2.gz RUKYKEKSKMZEQI-UHFFFAOYSA-N 0 0 448.429 2.651 50 0 IFAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036086663 568948942 /nfs/dbraw/zinc/94/89/42/568948942.db2.gz NKQSNJYWLABFHP-HNNXBMFYSA-N 0 0 426.904 2.933 50 0 IFAARN Cc1cccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000036086828 568949131 /nfs/dbraw/zinc/94/91/31/568949131.db2.gz DCWDHCVILNYHLO-UHFFFAOYSA-N 0 0 444.466 2.820 50 0 IFAARN O=C(Nc1ccccc1)c1nn(-c2cccc(F)c2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036088369 568950403 /nfs/dbraw/zinc/95/04/03/568950403.db2.gz HXPHYPXRSCXJPY-UHFFFAOYSA-N 0 0 434.402 2.973 50 0 IFAARN Cc1c(CCC(=O)N[C@H](C)c2ccc(F)cc2)c(C(=O)N2CCN(C)CC2)c(C)n1C ZINC000064756991 568951413 /nfs/dbraw/zinc/95/14/13/568951413.db2.gz CWHDPODCKVULFC-MRXNPFEDSA-N 0 0 428.552 2.979 50 0 IFAARN CNC(=O)c1cnc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc(F)cc2Cl)c1=O ZINC000064759457 568951768 /nfs/dbraw/zinc/95/17/68/568951768.db2.gz YPSJXWBDFYXKAV-UHFFFAOYSA-N 0 0 432.814 2.840 50 0 IFAARN CCOC(=O)N1CCN(C(=O)CCNc2c(-c3cccc(F)c3)nc3cnccn32)CC1 ZINC000064759278 568951811 /nfs/dbraw/zinc/95/18/11/568951811.db2.gz WRVBTWVZAUSDNT-UHFFFAOYSA-N 0 0 440.479 2.638 50 0 IFAARN CNC(=O)c1cnc(-c2ccc(Cl)cc2)n(CC(=O)Nc2cccc(OC)c2)c1=O ZINC000064759418 568951833 /nfs/dbraw/zinc/95/18/33/568951833.db2.gz XHAATUUGVLJYEQ-UHFFFAOYSA-N 0 0 426.860 2.571 50 0 IFAARN CNC(=O)c1cnc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccccc2OC)c1=O ZINC000064759419 568951864 /nfs/dbraw/zinc/95/18/64/568951864.db2.gz KBZPDLLYCWWINM-UHFFFAOYSA-N 0 0 426.860 2.571 50 0 IFAARN Cc1ccc(C)c(N2CCN(C(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)CC2)c1 ZINC000064775815 568954877 /nfs/dbraw/zinc/95/48/77/568954877.db2.gz QNWGIMORDAEGRR-UHFFFAOYSA-N 0 0 429.524 2.854 50 0 IFAARN Cc1cccc(N2CCN(C(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)C[C@H]2C)c1 ZINC000064775819 568954897 /nfs/dbraw/zinc/95/48/97/568954897.db2.gz WQUAZHXDTMWCAM-GOSISDBHSA-N 0 0 429.524 2.934 50 0 IFAARN COc1cccc(N2CCN(C(=O)[C@H](C)n3c4ccccc4c4cnn(C)c(=O)c43)CC2)c1 ZINC000064775940 568954903 /nfs/dbraw/zinc/95/49/03/568954903.db2.gz PKIPENQSHCWGEG-KRWDZBQOSA-N 0 0 445.523 2.807 50 0 IFAARN Cc1cccc(-c2c3c(c4n2CCO[C@@H]4c2ccc(O)cc2O)n(C)c(=O)n(C)c3=O)c1 ZINC000064788196 568956632 /nfs/dbraw/zinc/95/66/32/568956632.db2.gz PRSUSATYKLCOPH-JOCHJYFZSA-N 0 0 433.464 2.545 50 0 IFAARN COc1cc([C@@H]2OCCn3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000064788205 568956636 /nfs/dbraw/zinc/95/66/36/568956636.db2.gz YLDUZRIYJKSVIL-QHCPKHFHSA-N 0 0 447.491 2.848 50 0 IFAARN COc1cc([C@H]2OCCn3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000064788204 568956645 /nfs/dbraw/zinc/95/66/45/568956645.db2.gz YLDUZRIYJKSVIL-HSZRJFAPSA-N 0 0 447.491 2.848 50 0 IFAARN Cc1cccc(-c2c3c(c4n2CCO[C@@H]4c2cc(O)ccc2O)n(C)c(=O)n(C)c3=O)c1 ZINC000064788198 568956665 /nfs/dbraw/zinc/95/66/65/568956665.db2.gz FSEDPNDIRWNSLM-JOCHJYFZSA-N 0 0 433.464 2.545 50 0 IFAARN CCn1nc(C)c2nc(SCC(=O)NC(C)C)n(Cc3ccc(OC)cc3)c(=O)c21 ZINC000064817238 568964326 /nfs/dbraw/zinc/96/43/26/568964326.db2.gz XKRDYBAKQSZLQL-UHFFFAOYSA-N 0 0 429.546 2.595 50 0 IFAARN Cc1ccc(F)cc1NC(=O)Cn1nc(N2CCN(c3ccc(F)cc3)CC2)ccc1=O ZINC000064818156 568964361 /nfs/dbraw/zinc/96/43/61/568964361.db2.gz FGOLMFOUAVLAHI-UHFFFAOYSA-N 0 0 439.466 2.795 50 0 IFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cccc(C)c1 ZINC000064817630 568964870 /nfs/dbraw/zinc/96/48/70/568964870.db2.gz JJCHGALVDPFQOL-UHFFFAOYSA-N 0 0 431.496 2.683 50 0 IFAARN COCCNC(=O)[C@@]1(C)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1cccc(F)c1 ZINC000064816348 568965001 /nfs/dbraw/zinc/96/50/01/568965001.db2.gz NHSYBPUHEIPNRN-JOCHJYFZSA-N 0 0 442.516 2.928 50 0 IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)Cc1ccccc1 ZINC000036156577 568965360 /nfs/dbraw/zinc/96/53/60/568965360.db2.gz GPGXTABGADARBR-KRWDZBQOSA-N 0 0 427.570 2.915 50 0 IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COc1ccccc1 ZINC000036156819 568965572 /nfs/dbraw/zinc/96/55/72/568965572.db2.gz HYJGPLAARQRWKD-INIZCTEOSA-N 0 0 443.569 2.752 50 0 IFAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C)c2C)cn1C ZINC000064819002 568965853 /nfs/dbraw/zinc/96/58/53/568965853.db2.gz ZLZIQFKWOVTPKV-SFHVURJKSA-N 0 0 433.530 2.610 50 0 IFAARN CC(C)NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000036158324 568966560 /nfs/dbraw/zinc/96/65/60/568966560.db2.gz KCFFXVQICRDNMY-QHCPKHFHSA-N 0 0 439.531 2.930 50 0 IFAARN COCC(=O)N1CCS[C@]12c1cc(OC)ccc1N(Cc1cccc(OC)c1)C2=O ZINC000036166452 568968570 /nfs/dbraw/zinc/96/85/70/568968570.db2.gz NJAJOJLYZNEQDQ-QFIPXVFZSA-N 0 0 428.510 2.625 50 0 IFAARN CCOc1ccc(C(=O)N2CCC(N3CCN(Cc4ccc(C)cc4)C(=O)C3=O)CC2)cc1 ZINC000064835339 568968786 /nfs/dbraw/zinc/96/87/86/568968786.db2.gz PWJUMDHCHFZHEF-UHFFFAOYSA-N 0 0 449.551 2.869 50 0 IFAARN CCOc1ccccc1CNC(=O)c1cc(=O)nc2sc(N3CCC(C)CC3)nn21 ZINC000064836397 568969372 /nfs/dbraw/zinc/96/93/72/568969372.db2.gz PRJUKRTYQITQHH-UHFFFAOYSA-N 0 0 427.530 2.716 50 0 IFAARN Cn1ncc2c3ccccc3n(CC(=O)NCc3cccc(Br)c3)c2c1=O ZINC000064839371 568969532 /nfs/dbraw/zinc/96/95/32/568969532.db2.gz ULPFALKNPNZZHY-UHFFFAOYSA-N 0 0 425.286 2.967 50 0 IFAARN CC1CCN(C(=O)CCC(=O)N2CCc3cc(S(=O)(=O)NC(C)(C)C)ccc32)CC1 ZINC000064846465 568972044 /nfs/dbraw/zinc/97/20/44/568972044.db2.gz BLAJZDBYWRHZAT-UHFFFAOYSA-N 0 0 435.590 2.691 50 0 IFAARN O=C(CCC(=O)N1CCCCC1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 ZINC000064846391 568972060 /nfs/dbraw/zinc/97/20/60/568972060.db2.gz IDHPIZBFUAEXDW-UHFFFAOYSA-N 0 0 433.574 2.589 50 0 IFAARN CCN(Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[nH]1)C[C@@H](O)COC(C)(C)C ZINC000036206852 568972662 /nfs/dbraw/zinc/97/26/62/568972662.db2.gz QFCSQPTXOXWZDS-CQSZACIVSA-N 0 0 439.578 2.856 50 0 IFAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@H](O)COCC(C)C ZINC000036204955 568972668 /nfs/dbraw/zinc/97/26/68/568972668.db2.gz SHOOZTIESVXCAN-HOTGVXAUSA-N 0 0 437.606 2.591 50 0 IFAARN CCCN(Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@H](O)COC ZINC000036207733 568973146 /nfs/dbraw/zinc/97/31/46/568973146.db2.gz SREQZECNNYMAOL-HNNXBMFYSA-N 0 0 447.557 2.888 50 0 IFAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccco2)CC1 ZINC000036208420 568973375 /nfs/dbraw/zinc/97/33/75/568973375.db2.gz QAGZHHVQEFBSEV-YWZLYKJASA-N 0 0 429.492 2.984 50 0 IFAARN O=C(N[C@H](C(=O)NC1CC1)C1CCN(C(=O)c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000036208776 568973556 /nfs/dbraw/zinc/97/35/56/568973556.db2.gz ZVLVYEJFRWQHAO-NRFANRHFSA-N 0 0 441.478 2.894 50 0 IFAARN Cc1ccccc1C(=O)N1CCC([C@H](NC(=O)c2cccs2)C(=O)NC2CC2)CC1 ZINC000036209536 568974177 /nfs/dbraw/zinc/97/41/77/568974177.db2.gz YZYCVFJNXNKLHF-FQEVSTJZSA-N 0 0 425.554 2.986 50 0 IFAARN COCCNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036209968 568974523 /nfs/dbraw/zinc/97/45/23/568974523.db2.gz GBJLOBXPFVYUBP-FQEVSTJZSA-N 0 0 449.979 2.630 50 0 IFAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210329 568974629 /nfs/dbraw/zinc/97/46/29/568974629.db2.gz ZGGSFRCJNMPPNS-HTAPYJJXSA-N 0 0 431.577 2.993 50 0 IFAARN CCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036210454 568974653 /nfs/dbraw/zinc/97/46/53/568974653.db2.gz QEVDMNNREJSVST-HXUWFJFHSA-N 0 0 443.569 2.934 50 0 IFAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000036210605 568975004 /nfs/dbraw/zinc/97/50/04/568975004.db2.gz TZMZOUVUKIHWLM-JOCHJYFZSA-N 0 0 441.572 2.845 50 0 IFAARN CCOC(=O)c1c(C)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)c(C)n1C ZINC000064863192 568975399 /nfs/dbraw/zinc/97/53/99/568975399.db2.gz DTYUSPUMFGMDCP-UHFFFAOYSA-N 0 0 433.574 2.946 50 0 IFAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC(C)C)CC1 ZINC000036211512 568975444 /nfs/dbraw/zinc/97/54/44/568975444.db2.gz CZTMINFCHBFOJT-KSFYIVLOSA-N 0 0 445.560 2.713 50 0 IFAARN COc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3)C(=O)NC3CC3)CC2)c1 ZINC000036212667 568976677 /nfs/dbraw/zinc/97/66/77/568976677.db2.gz NHXKPCOEJGLSPF-JOCHJYFZSA-N 0 0 435.524 2.625 50 0 IFAARN CCNC(=S)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000036214598 568977434 /nfs/dbraw/zinc/97/74/34/568977434.db2.gz PNHXICKXOULLOE-FXAWDEMLSA-N 0 0 430.618 2.792 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)Cn2c3ccccc3n3c(nnc3C(C)C)c2=O)c1 ZINC000064871720 568977777 /nfs/dbraw/zinc/97/77/77/568977777.db2.gz NXPADUFDFRMDGG-UHFFFAOYSA-N 0 0 433.468 2.983 50 0 IFAARN Cc1cc(C)cc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3nccnc32)c1 ZINC000064874392 568978668 /nfs/dbraw/zinc/97/86/68/568978668.db2.gz HWJLQPYFXKHJLR-UHFFFAOYSA-N 0 0 449.898 2.910 50 0 IFAARN CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3nccnc32)cc1 ZINC000064887523 568978838 /nfs/dbraw/zinc/97/88/38/568978838.db2.gz IBAGRZSMAQKTDH-UHFFFAOYSA-N 0 0 449.898 2.856 50 0 IFAARN CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(N(C)C)cc3)CC2)cc1 ZINC000036227802 568978865 /nfs/dbraw/zinc/97/88/65/568978865.db2.gz XYOSDVVYXHBKDU-UHFFFAOYSA-N 0 0 444.601 2.821 50 0 IFAARN COc1ccc(Cn2c(=O)c3nccnc3n(Cc3ccc(F)cc3Cl)c2=O)cc1 ZINC000064887742 568979105 /nfs/dbraw/zinc/97/91/05/568979105.db2.gz DXRASUNGDJIFGJ-UHFFFAOYSA-N 0 0 426.835 2.851 50 0 IFAARN Cc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3nccnc32)c(Cl)c1 ZINC000064887712 568979199 /nfs/dbraw/zinc/97/91/99/568979199.db2.gz ZOKHQMODWJRXGI-UHFFFAOYSA-N 0 0 449.898 2.796 50 0 IFAARN O=C(CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2nc1C(F)(F)F)N1CCCC1 ZINC000064888940 568979722 /nfs/dbraw/zinc/97/97/22/568979722.db2.gz BDYZGXFMGYIZOU-UHFFFAOYSA-N 0 0 444.479 2.852 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000064889356 568979896 /nfs/dbraw/zinc/97/98/96/568979896.db2.gz HCKKFQQUQQEYRI-UHFFFAOYSA-N 0 0 443.529 2.693 50 0 IFAARN Cc1ccccc1NC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000064889257 568979938 /nfs/dbraw/zinc/97/99/38/568979938.db2.gz VSPXDKQLTSKZTD-UHFFFAOYSA-N 0 0 427.530 2.943 50 0 IFAARN O=C(CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(Cl)cc1 ZINC000064889155 568980222 /nfs/dbraw/zinc/98/02/22/568980222.db2.gz XPUCQNNNYPVMCT-UHFFFAOYSA-N 0 0 433.921 2.898 50 0 IFAARN CCOc1ccccc1NC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064889211 568980379 /nfs/dbraw/zinc/98/03/79/568980379.db2.gz FDVWHBDOMHFBIH-UHFFFAOYSA-N 0 0 443.529 2.643 50 0 IFAARN O=C(CNC(=O)c1cccs1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000064889479 568980933 /nfs/dbraw/zinc/98/09/33/568980933.db2.gz KYLUIPDVENDSQB-UHFFFAOYSA-N 0 0 437.525 2.754 50 0 IFAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)CCC4CCCC4)CC3)cc2NC1=O ZINC000064890119 568981131 /nfs/dbraw/zinc/98/11/31/568981131.db2.gz APHRSNVLKNZHBM-IBGZPJMESA-N 0 0 449.573 2.599 50 0 IFAARN CC(=O)c1ccc(NC(=O)CCn2nc(C(=O)N3CCc4ccccc43)ccc2=O)cc1 ZINC000064891603 568982614 /nfs/dbraw/zinc/98/26/14/568982614.db2.gz VHUMBWYNPMBYPI-UHFFFAOYSA-N 0 0 430.464 2.678 50 0 IFAARN Cc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCN(c4ccccc4)CC3)n2)c1 ZINC000064891779 568982782 /nfs/dbraw/zinc/98/27/82/568982782.db2.gz HDGHYTYNTKOZRI-UHFFFAOYSA-N 0 0 445.523 2.543 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CCc3ccccc3C2)n1 ZINC000064892142 568982866 /nfs/dbraw/zinc/98/28/66/568982866.db2.gz QIDPIGSTZWXMFO-SFHVURJKSA-N 0 0 442.519 2.810 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)NCc2ccc(F)cc2)n1 ZINC000064892181 568982886 /nfs/dbraw/zinc/98/28/86/568982886.db2.gz OJNLUMLTJOYCGK-INIZCTEOSA-N 0 0 434.471 2.680 50 0 IFAARN COc1ccccc1NC(=O)CCn1nc(C(=O)N2c3ccccc3C[C@H]2C)ccc1=O ZINC000064892278 568983037 /nfs/dbraw/zinc/98/30/37/568983037.db2.gz QNWUJARWTDBKDG-MRXNPFEDSA-N 0 0 432.480 2.872 50 0 IFAARN COc1ccccc1C(=O)N1CCN([C@H](C(=O)NCc2ccco2)C2CCCC2)CC1 ZINC000036251764 568984125 /nfs/dbraw/zinc/98/41/25/568984125.db2.gz ALQHGHGZWDJUKW-QFIPXVFZSA-N 0 0 425.529 2.921 50 0 IFAARN COCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036251531 568984476 /nfs/dbraw/zinc/98/44/76/568984476.db2.gz VDKLHPXRUWNRKM-IBGZPJMESA-N 0 0 441.494 2.785 50 0 IFAARN COc1ccc(C(=O)N2CCN([C@H](C(=O)N3CCSCC3)C3CCCC3)CC2)cc1 ZINC000036251139 568984482 /nfs/dbraw/zinc/98/44/82/568984482.db2.gz UYACCMYMXNPAKE-NRFANRHFSA-N 0 0 431.602 2.587 50 0 IFAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000036254158 568984629 /nfs/dbraw/zinc/98/46/29/568984629.db2.gz MKBRGEBYRLODMX-UHFFFAOYSA-N 0 0 443.447 2.530 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)NC1CCCCCCC1)OCC(=O)N2 ZINC000064920769 568985423 /nfs/dbraw/zinc/98/54/23/568985423.db2.gz NOQDVFIDQHFHQM-SFHVURJKSA-N 0 0 449.573 2.708 50 0 IFAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 ZINC000064920849 568985441 /nfs/dbraw/zinc/98/54/41/568985441.db2.gz WDBFKUTVDHFULG-SFHVURJKSA-N 0 0 443.525 2.735 50 0 IFAARN Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 ZINC000064921267 568985618 /nfs/dbraw/zinc/98/56/18/568985618.db2.gz MOMFXHCGWXMHMF-INIZCTEOSA-N 0 0 449.916 2.771 50 0 IFAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc4ccc(F)cc4s3)c2)CC1 ZINC000036275307 568985818 /nfs/dbraw/zinc/98/58/18/568985818.db2.gz SDCYUOGTAHLEFK-UHFFFAOYSA-N 0 0 434.518 2.624 50 0 IFAARN COc1ccc(NC(=O)CCc2c(C)nn(-c3cc(N4CCOCC4)ncn3)c2C)cc1 ZINC000064924917 568986352 /nfs/dbraw/zinc/98/63/52/568986352.db2.gz KFFNOKQVLSPEJU-UHFFFAOYSA-N 0 0 436.516 2.696 50 0 IFAARN Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)NCc1ccccc1C ZINC000064925128 568986415 /nfs/dbraw/zinc/98/64/15/568986415.db2.gz HCHAYVNSECYVDU-UHFFFAOYSA-N 0 0 434.544 2.673 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4cccc(F)c4)n3)C2)cc1 ZINC000064928528 568987579 /nfs/dbraw/zinc/98/75/79/568987579.db2.gz SYHJNRBQOLKEKX-SFHVURJKSA-N 0 0 436.487 2.913 50 0 IFAARN COc1ccc(OC[C@H](O)CN2CCN(CCc3ccccn3)CC2)c(C(C)(C)C)c1 ZINC000019369618 568989203 /nfs/dbraw/zinc/98/92/03/568989203.db2.gz LPXORTHSAYOOQS-OAQYLSRUSA-N 0 0 427.589 2.988 50 0 IFAARN O=C(c1ccc(F)cc1)N(CC1CC1)C[C@H]1CN(C[C@@H](O)COc2ccccc2)CCO1 ZINC000169679315 568990874 /nfs/dbraw/zinc/99/08/74/568990874.db2.gz KQHDWDCTFQEYJI-ISKFKSNPSA-N 0 0 442.531 2.819 50 0 IFAARN COc1cccc(NC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccccc3)c2=O)c1 ZINC000169681086 568991431 /nfs/dbraw/zinc/99/14/31/568991431.db2.gz IFLREHDMUDBQLY-UHFFFAOYSA-N 0 0 427.482 2.605 50 0 IFAARN CCOc1ccccc1NC(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccccc2)c1=O ZINC000169681076 568991508 /nfs/dbraw/zinc/99/15/08/568991508.db2.gz IQXGNGWWOYDSDA-UHFFFAOYSA-N 0 0 441.509 2.995 50 0 IFAARN CC(C)CN(C[C@H]1CN(C[C@@H](O)COCc2ccco2)CCO1)C(=O)Cc1ccccc1 ZINC000169681294 568991962 /nfs/dbraw/zinc/99/19/62/568991962.db2.gz JKRYMSOYUFSDGP-ISKFKSNPSA-N 0 0 444.572 2.585 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)nc2)CC1 ZINC000064942525 568992031 /nfs/dbraw/zinc/99/20/31/568992031.db2.gz NWEJKVGXQSFJPO-UHFFFAOYSA-N 0 0 431.514 2.574 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)CC1 ZINC000064942595 568992064 /nfs/dbraw/zinc/99/20/64/568992064.db2.gz QNFQRNNBCOKBHL-UHFFFAOYSA-N 0 0 445.541 2.882 50 0 IFAARN O=S(=O)(c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nn1)C1CCCCC1 ZINC000064942856 568992182 /nfs/dbraw/zinc/99/21/82/568992182.db2.gz BBYQMMWXZUBISU-UHFFFAOYSA-N 0 0 444.557 2.634 50 0 IFAARN O=C(Cn1nc(S(=O)(=O)c2ccc(Cl)cc2)ccc1=O)Nc1cc(F)ccc1F ZINC000064943151 568992339 /nfs/dbraw/zinc/99/23/39/568992339.db2.gz NAFYWICCRARLRB-UHFFFAOYSA-N 0 0 439.827 2.646 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1nc(S(=O)(=O)c2cccc(C)c2)ccc1=O ZINC000064943631 568992777 /nfs/dbraw/zinc/99/27/77/568992777.db2.gz AAULNLZEBBIFMW-UHFFFAOYSA-N 0 0 425.510 2.894 50 0 IFAARN Cc1ccc2c(c1)N(C(=O)Cn1nc3c4c5c(sc4ncn3c1=O)C[C@@H](C)CC5)CCO2 ZINC000064945938 568994122 /nfs/dbraw/zinc/99/41/22/568994122.db2.gz VOZDRJHXPUNNEY-AWEZNQCLSA-N 0 0 449.536 2.965 50 0 IFAARN O=C(NCc1cccnc1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000064947380 568995128 /nfs/dbraw/zinc/99/51/28/568995128.db2.gz RHHCDBUUQJNWJE-UHFFFAOYSA-N 0 0 442.566 2.584 50 0 IFAARN CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1CNC(=O)Cc1ccccc1 ZINC000006802173 568995394 /nfs/dbraw/zinc/99/53/94/568995394.db2.gz PKGJVPFUMILFLU-LJQANCHMSA-N 0 0 427.570 2.856 50 0 IFAARN O=C(NC[C@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000036310538 568996644 /nfs/dbraw/zinc/99/66/44/568996644.db2.gz IJKYBEFNQJYUMO-NHCUHLMSSA-N 0 0 432.540 2.829 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc4cccnc4s3)CC2)cc1 ZINC000064955368 568998192 /nfs/dbraw/zinc/99/81/92/568998192.db2.gz DNGQODHPGBRDJX-UHFFFAOYSA-N 0 0 431.543 2.551 50 0 IFAARN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(OC)c(Cl)c3)C2)c1 ZINC000064957987 568999124 /nfs/dbraw/zinc/99/91/24/568999124.db2.gz ALCRFHGFJKIYMR-ZDUSSCGKSA-N 0 0 426.926 2.604 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)c(OC)c1 ZINC000064958081 568999274 /nfs/dbraw/zinc/99/92/74/568999274.db2.gz BWZXRGGKSMBZEU-OAHLLOKOSA-N 0 0 436.534 2.521 50 0 IFAARN CCOc1ccc(-n2c3nc(-c4ccc(OC)cc4)nc(C(N)=O)c3n(CC)c2=O)cc1 ZINC000064965825 569000942 /nfs/dbraw/zinc/00/09/42/569000942.db2.gz ODAMUEUTUVHBLD-UHFFFAOYSA-N 0 0 433.468 2.775 50 0 IFAARN COc1cccc(C2=NC3(CCN(S(=O)(=O)c4cc(Cl)ccc4C)CC3)NC2=O)c1 ZINC000064965744 569000995 /nfs/dbraw/zinc/00/09/95/569000995.db2.gz UULPEUHDEKXBQF-UHFFFAOYSA-N 0 0 447.944 2.757 50 0 IFAARN O=S(=O)(NCCc1nnc(Cc2cccc(F)c2)[nH]1)c1ccc(Br)s1 ZINC000064969772 569076248 /nfs/dbraw/zinc/07/62/48/569076248.db2.gz KGGRQPBSBJHWJC-UHFFFAOYSA-N 0 0 445.339 2.880 50 0 IFAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCN3CCOCC3)c2)cc1 ZINC000036329975 569076656 /nfs/dbraw/zinc/07/66/56/569076656.db2.gz IREBLNXNFIUYDK-UHFFFAOYSA-N 0 0 431.558 2.556 50 0 IFAARN Cc1cn(C)c(CC(=O)NCCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c1C(=O)[O-] ZINC000064980594 569078121 /nfs/dbraw/zinc/07/81/21/569078121.db2.gz LYASJVDIBBLPIT-UHFFFAOYSA-N 0 0 446.979 2.865 50 0 IFAARN CN1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341811 569078971 /nfs/dbraw/zinc/07/89/71/569078971.db2.gz ZWWBGJJKCCSDAZ-FQEVSTJZSA-N 0 0 440.931 2.994 50 0 IFAARN COc1ccc(C2=NN(C(=O)CN3CCN(C(C)=O)CC3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000036341306 569079314 /nfs/dbraw/zinc/07/93/14/569079314.db2.gz UHAWDYZKTBGZND-HSZRJFAPSA-N 0 0 438.503 2.676 50 0 IFAARN COCCNC(=O)[C@@H](NC(=O)C1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036342211 569079842 /nfs/dbraw/zinc/07/98/42/569079842.db2.gz KIVQPHKLJUYGPA-FQEVSTJZSA-N 0 0 449.979 2.630 50 0 IFAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CCOCC2)c1 ZINC000036344381 569080264 /nfs/dbraw/zinc/08/02/64/569080264.db2.gz VAPJVTAVSUGYIZ-NRFANRHFSA-N 0 0 439.512 2.722 50 0 IFAARN Cn1nc(C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n(C2CC2)c1=O ZINC000207957581 569080413 /nfs/dbraw/zinc/08/04/13/569080413.db2.gz JGUKNMLONBCKLZ-UHFFFAOYSA-N 0 0 430.452 2.504 50 0 IFAARN COc1cccc(C(=O)N2CCC([C@H](NC(=O)CC(C)C)C(=O)NCC(C)C)CC2)c1 ZINC000036347150 569081593 /nfs/dbraw/zinc/08/15/93/569081593.db2.gz AGMFAETUVLZYND-QFIPXVFZSA-N 0 0 431.577 2.851 50 0 IFAARN COc1ccc(CNC(=O)c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c(OC)c1 ZINC000064989251 569083025 /nfs/dbraw/zinc/08/30/25/569083025.db2.gz KCFAKGNMTUWKFQ-UHFFFAOYSA-N 0 0 434.496 2.927 50 0 IFAARN Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1ccccc1C(=O)NC(C)C)O2 ZINC000064988627 569083670 /nfs/dbraw/zinc/08/36/70/569083670.db2.gz NEVPOKLOAQGSEF-HXUWFJFHSA-N 0 0 445.541 2.689 50 0 IFAARN COc1cccc(NC(=O)NCc2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)c1 ZINC000064991478 569083673 /nfs/dbraw/zinc/08/36/73/569083673.db2.gz JPZMENDBOYBWNA-UHFFFAOYSA-N 0 0 427.442 2.849 50 0 IFAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@@H+]3CCCN(c4ncccn4)CC3)c2c1 ZINC000036354526 569084230 /nfs/dbraw/zinc/08/42/30/569084230.db2.gz ZJOJZNGZDMMGGD-FQEVSTJZSA-N 0 0 436.516 2.890 50 0 IFAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)NCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000064991710 569084695 /nfs/dbraw/zinc/08/46/95/569084695.db2.gz GSUFDMCZFMFTEX-UHFFFAOYSA-N 0 0 445.526 2.536 50 0 IFAARN COc1ccc(NC(=O)c2nnc(CNS(=O)(=O)c3cc(F)ccc3C)s2)cc1 ZINC000064991651 569084757 /nfs/dbraw/zinc/08/47/57/569084757.db2.gz LUAXLNSFJBFXDF-UHFFFAOYSA-N 0 0 436.490 2.725 50 0 IFAARN CN1C=C(C(=O)N2CCOCC2)C(=O)C1c1nc2cc(NC(=O)c3ccco3)ccc2n1C ZINC000036357857 569084931 /nfs/dbraw/zinc/08/49/31/569084931.db2.gz WGBLYEITZFFOOI-UHFFFAOYSA-N 0 0 449.467 2.602 50 0 IFAARN Cn1cnc2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nn(-c3ccccc3)c2c1=O ZINC000064991948 569085139 /nfs/dbraw/zinc/08/51/39/569085139.db2.gz WTURZAVOCBHXJH-UHFFFAOYSA-N 0 0 448.914 2.735 50 0 IFAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1cccc(OCc3cccnc3)c1)CC(=O)N2 ZINC000036360321 569086282 /nfs/dbraw/zinc/08/62/82/569086282.db2.gz MWYUEJSJSPIAOV-SFHVURJKSA-N 0 0 428.452 2.712 50 0 IFAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1cccc(OCc3ccccn3)c1)CC(=O)N2 ZINC000036360498 569086398 /nfs/dbraw/zinc/08/63/98/569086398.db2.gz LVXQLINETNPKMC-GOSISDBHSA-N 0 0 428.452 2.712 50 0 IFAARN O=C(NC[C@@H](c1cccs1)N1CCCC1)C1=C(c2ccccc2)S(=O)(=O)CCO1 ZINC000036360526 569086456 /nfs/dbraw/zinc/08/64/56/569086456.db2.gz MLHMOLCMTQFIFO-KRWDZBQOSA-N 0 0 432.567 2.815 50 0 IFAARN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)o1 ZINC000036360617 569086539 /nfs/dbraw/zinc/08/65/39/569086539.db2.gz BFVKOKVWNHWXPK-GOSISDBHSA-N 0 0 431.510 2.909 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1nn(C)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000036366055 569087032 /nfs/dbraw/zinc/08/70/32/569087032.db2.gz ICEAQJSRYDDPEB-SFHVURJKSA-N 0 0 435.480 2.523 50 0 IFAARN CC1(C)COCN1C(=O)c1ccc(OCc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 ZINC000036366296 569087182 /nfs/dbraw/zinc/08/71/82/569087182.db2.gz NAAJXSRYXHIYSP-UHFFFAOYSA-N 0 0 434.514 2.852 50 0 IFAARN O=C(c1ccccc1)N1CCC(CCNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000065007440 569087614 /nfs/dbraw/zinc/08/76/14/569087614.db2.gz AAYHLYFVFPRGNP-UHFFFAOYSA-N 0 0 430.555 2.912 50 0 IFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccncc1 ZINC000036369983 569088588 /nfs/dbraw/zinc/08/85/88/569088588.db2.gz IEYPXRVVJFDYKV-HXUWFJFHSA-N 0 0 437.456 2.788 50 0 IFAARN Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)NC4CCCCCC4)c(C)cc32)no1 ZINC000065022572 569088916 /nfs/dbraw/zinc/08/89/16/569088916.db2.gz AVPBPWCAVOZWHO-UHFFFAOYSA-N 0 0 434.518 2.613 50 0 IFAARN Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4ccccc4C)c(C)cc32)no1 ZINC000065022591 569088978 /nfs/dbraw/zinc/08/89/78/569088978.db2.gz ZLUJOEQWPLWQPU-UHFFFAOYSA-N 0 0 428.470 2.721 50 0 IFAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4cccc(F)c4)c(C)cc32)no1 ZINC000065022644 569088996 /nfs/dbraw/zinc/08/89/96/569088996.db2.gz VVYHLAHYXPEJIT-UHFFFAOYSA-N 0 0 446.460 2.806 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccccn4)CC3)cc2sc1=O ZINC000065022190 569089123 /nfs/dbraw/zinc/08/91/23/569089123.db2.gz BNCJHMKPPOKBIM-UHFFFAOYSA-N 0 0 446.554 2.517 50 0 IFAARN CC(C)n1c(=O)cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n(C(C)C)c1=O ZINC000065024376 569089582 /nfs/dbraw/zinc/08/95/82/569089582.db2.gz DDVXDSWSQYLNRZ-UHFFFAOYSA-N 0 0 432.952 2.717 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)cc1 ZINC000065024377 569089611 /nfs/dbraw/zinc/08/96/11/569089611.db2.gz PTUXYMOEHMWMNJ-UHFFFAOYSA-N 0 0 428.533 2.533 50 0 IFAARN COc1ccccc1C(=O)N1CCCN(c2cc(=O)n(C(C)C)c(=O)n2C(C)C)CC1 ZINC000065024462 569089643 /nfs/dbraw/zinc/08/96/43/569089643.db2.gz VNLDSUDOYRIWKI-UHFFFAOYSA-N 0 0 428.533 2.533 50 0 IFAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4cccc(C)c4)c(C)cc32)no1 ZINC000065022734 569089718 /nfs/dbraw/zinc/08/97/18/569089718.db2.gz HRDOKBQCZDKTAQ-UHFFFAOYSA-N 0 0 442.497 2.975 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)Nc1ccccc1)OCC(=O)N2Cc1noc(C2CC2)n1 ZINC000065022846 569089861 /nfs/dbraw/zinc/08/98/61/569089861.db2.gz SGXBEZRYIBQRFQ-UHFFFAOYSA-N 0 0 440.481 2.982 50 0 IFAARN Cc1ccc(NC(=O)NCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)c(C)c1 ZINC000065029867 569091102 /nfs/dbraw/zinc/09/11/02/569091102.db2.gz ALPRZNVAEVPWCQ-UHFFFAOYSA-N 0 0 442.545 2.654 50 0 IFAARN Cc1ccc(NC(=O)NCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1C ZINC000065029851 569091149 /nfs/dbraw/zinc/09/11/49/569091149.db2.gz HKRSPDRDBROFBH-UHFFFAOYSA-N 0 0 442.545 2.654 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccc(C)c(F)c1 ZINC000065029957 569091252 /nfs/dbraw/zinc/09/12/52/569091252.db2.gz ONHWKWZQEKGFKB-UHFFFAOYSA-N 0 0 448.524 2.731 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(n3cnc4ccc(C)cc4c3=O)CC2)cc1OC ZINC000065034762 569092293 /nfs/dbraw/zinc/09/22/93/569092293.db2.gz MZAYLNHMAKUADK-UHFFFAOYSA-N 0 0 443.525 2.748 50 0 IFAARN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000036382465 569092666 /nfs/dbraw/zinc/09/26/66/569092666.db2.gz MXDLDUWRLWADJC-XZOQPEGZSA-N 0 0 437.540 2.580 50 0 IFAARN CC(C)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000036384646 569092911 /nfs/dbraw/zinc/09/29/11/569092911.db2.gz WBQPUHTWVCIUSA-LBPRGKRZSA-N 0 0 441.903 2.578 50 0 IFAARN O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccc2c(c1)CCC2 ZINC000169752480 569093284 /nfs/dbraw/zinc/09/32/84/569093284.db2.gz DYABKROFAOKWSJ-UHFFFAOYSA-N 0 0 432.455 2.922 50 0 IFAARN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(OC)cc1 ZINC000036386929 569093411 /nfs/dbraw/zinc/09/34/11/569093411.db2.gz KYCYQLZIPUKUKC-OAQYLSRUSA-N 0 0 431.558 2.512 50 0 IFAARN Cc1ccc([C@@H]2NC(=O)N(CC(=O)NCc3ccccc3Cl)C3=C2C(=O)OC3)cc1 ZINC000169758077 569094232 /nfs/dbraw/zinc/09/42/32/569094232.db2.gz CVPIVLDNZDSVAP-FQEVSTJZSA-N 0 0 425.872 2.842 50 0 IFAARN O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)N1CCN(c2ccccc2Cl)CC1 ZINC000169760020 569094596 /nfs/dbraw/zinc/09/45/96/569094596.db2.gz CVGRDIQMBZBRMK-UHFFFAOYSA-N 0 0 439.947 2.767 50 0 IFAARN Cn1c(=O)n(CC(=O)NC2CCCCCC2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065057068 569095056 /nfs/dbraw/zinc/09/50/56/569095056.db2.gz UIVVSVXRDRFVNO-UHFFFAOYSA-N 0 0 441.919 2.650 50 0 IFAARN CCn1c(=O)n(CC(=O)NC2CCCCC2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065056951 569095062 /nfs/dbraw/zinc/09/50/62/569095062.db2.gz SRSUJISCISRPMR-UHFFFAOYSA-N 0 0 441.919 2.742 50 0 IFAARN COc1cccc(CNC(=O)[C@H](C)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 ZINC000065061470 569096396 /nfs/dbraw/zinc/09/63/96/569096396.db2.gz XKWIWEBYTYIJLT-CQSZACIVSA-N 0 0 435.546 2.653 50 0 IFAARN CCCC1N=NC(=S)N1CC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000036391476 569097344 /nfs/dbraw/zinc/09/73/44/569097344.db2.gz SZTLEPCEBVEOCO-UHFFFAOYSA-N 0 0 428.484 2.718 50 0 IFAARN CCn1cnnc1SCC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 ZINC000036392662 569098481 /nfs/dbraw/zinc/09/84/81/569098481.db2.gz ZTRDQDYBHGGYNU-UHFFFAOYSA-N 0 0 437.591 2.982 50 0 IFAARN COc1ccc(-c2n[nH]cc2[C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc1 ZINC000036394840 569098695 /nfs/dbraw/zinc/09/86/95/569098695.db2.gz WHWAVJZOAADSML-FQEVSTJZSA-N 0 0 431.456 2.693 50 0 IFAARN COc1ccc(Br)cc1S(=O)(=O)N1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000036396022 569098896 /nfs/dbraw/zinc/09/88/96/569098896.db2.gz LWVYTAMMTLVINX-OKILXGFUSA-N 0 0 447.395 2.720 50 0 IFAARN CCOCCCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2cccc(C)c2)CC1 ZINC000065075422 569099655 /nfs/dbraw/zinc/09/96/55/569099655.db2.gz ZLOYMNFKALZGJW-UHFFFAOYSA-N 0 0 436.560 2.983 50 0 IFAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)NCc2ccccc2Cl)n1 ZINC000065076454 569100126 /nfs/dbraw/zinc/10/01/26/569100126.db2.gz ULLXAYRTVZOCLV-HNNXBMFYSA-N 0 0 436.899 2.805 50 0 IFAARN COc1ccc(CNC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077327 569100210 /nfs/dbraw/zinc/10/02/10/569100210.db2.gz OYZDICSCLHTEOI-AWEZNQCLSA-N 0 0 448.566 2.998 50 0 IFAARN O=C(CN1c2ccc(S(=O)(=O)N3CCCCC3)cc2CCCC1=O)NC1CCCC1 ZINC000065078594 569100647 /nfs/dbraw/zinc/10/06/47/569100647.db2.gz BKVBULLIXMCTPZ-UHFFFAOYSA-N 0 0 433.574 2.589 50 0 IFAARN Cn1nc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c2ccccc21 ZINC000169775646 569101837 /nfs/dbraw/zinc/10/18/37/569101837.db2.gz SSQJPYZQHBAQTK-UHFFFAOYSA-N 0 0 430.443 2.619 50 0 IFAARN COc1ccccc1N1CCN(C(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)CC1 ZINC000169778340 569102644 /nfs/dbraw/zinc/10/26/44/569102644.db2.gz XSSMWFCYDKMYPL-UHFFFAOYSA-N 0 0 449.555 2.590 50 0 IFAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(OC)cc2)C2=C1C(=O)OC2 ZINC000169780820 569103147 /nfs/dbraw/zinc/10/31/47/569103147.db2.gz CFTPKLTUOVJJBZ-NRFANRHFSA-N 0 0 437.452 2.610 50 0 IFAARN Cc1cccc(NC(=O)CC2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c1 ZINC000065085876 569103187 /nfs/dbraw/zinc/10/31/87/569103187.db2.gz JYORUWQJBHYVBG-UHFFFAOYSA-N 0 0 443.525 2.869 50 0 IFAARN CCn1c2ccc(S(=O)(=O)N3CCC(CC(=O)NC4CCCCC4)CC3)cc2oc1=O ZINC000065085910 569103236 /nfs/dbraw/zinc/10/32/36/569103236.db2.gz RWTZHAVDJQUTDJ-UHFFFAOYSA-N 0 0 449.573 2.854 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)Nc4cc(F)ccc4C)c(=O)n3c2)cc1 ZINC000065100344 569105504 /nfs/dbraw/zinc/10/55/04/569105504.db2.gz VAKKGWWATAVUIB-UHFFFAOYSA-N 0 0 447.470 2.821 50 0 IFAARN COc1ccc(OC)c(CNS(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)c1 ZINC000065115221 569106759 /nfs/dbraw/zinc/10/67/59/569106759.db2.gz IXQNGIHFTQWUQB-UHFFFAOYSA-N 0 0 445.497 2.560 50 0 IFAARN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)NCc1cccs1 ZINC000065116607 569107431 /nfs/dbraw/zinc/10/74/31/569107431.db2.gz NPWBOIVKBMSKID-UHFFFAOYSA-N 0 0 438.556 2.883 50 0 IFAARN COc1ccc(S(=O)(=O)CCc2noc(C(=O)NC[C@H](C)c3ccccc3)n2)cc1 ZINC000065117636 569108145 /nfs/dbraw/zinc/10/81/45/569108145.db2.gz YGEDTLCVYIOTRQ-HNNXBMFYSA-N 0 0 429.498 2.628 50 0 IFAARN CC[C@H](C)NC(=O)CN1c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2C(C)(C)C1=O ZINC000169793919 569108345 /nfs/dbraw/zinc/10/83/45/569108345.db2.gz FDSIVJPXFQMOPH-CVEARBPZSA-N 0 0 435.590 2.646 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc(-c3nnc(C(=O)NCc4ccco4)o3)cc2)CC1 ZINC000065113819 569108490 /nfs/dbraw/zinc/10/84/90/569108490.db2.gz SGGCXWSRFUJYKF-UHFFFAOYSA-N 0 0 430.486 2.680 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)N(C)C1CCCCC1)O[C@@H](C)C(=O)N2 ZINC000169797852 569108630 /nfs/dbraw/zinc/10/86/30/569108630.db2.gz YWLRSEZBFBWHIT-YJBOKZPZSA-N 0 0 449.573 2.659 50 0 IFAARN Cc1ccc(CNC(=O)c2ccc(CN3CCN(Cc4ccccc4)C(=O)C3=O)cc2)o1 ZINC000065130295 569109194 /nfs/dbraw/zinc/10/91/94/569109194.db2.gz RFGJSVHKKFHKKN-UHFFFAOYSA-N 0 0 431.492 2.889 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)nn1)NCc1ccc(F)cc1 ZINC000065131719 569109511 /nfs/dbraw/zinc/10/95/11/569109511.db2.gz DLPRRUQKIKRSRW-MRXNPFEDSA-N 0 0 443.548 2.519 50 0 IFAARN O=C(CSc1ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)nn1)Nc1ccccc1F ZINC000065131633 569109571 /nfs/dbraw/zinc/10/95/71/569109571.db2.gz HMGXUCLQHSXQAV-CQSZACIVSA-N 0 0 429.521 2.842 50 0 IFAARN COc1ccccc1N1CCN(c2cc(SCC(=O)NCc3ccco3)ncn2)CC1 ZINC000065133762 569110037 /nfs/dbraw/zinc/11/00/37/569110037.db2.gz ZSVBKCLDRRPOSQ-UHFFFAOYSA-N 0 0 439.541 2.813 50 0 IFAARN CCCN1C(=O)COc2cc(-c3noc(C(=O)NCc4ccc5c(c4)OCO5)n3)ccc21 ZINC000065138009 569110486 /nfs/dbraw/zinc/11/04/86/569110486.db2.gz LBXQOBADWRLPPT-UHFFFAOYSA-N 0 0 436.424 2.531 50 0 IFAARN Cc1nn(Cc2ccc(C(=O)NCc3cccs3)cc2)c(C)c1S(=O)(=O)N(C)C ZINC000065138380 569110724 /nfs/dbraw/zinc/11/07/24/569110724.db2.gz YCBGJLZXSNVZQL-UHFFFAOYSA-N 0 0 432.571 2.790 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)c(C)c1 ZINC000036452020 569111331 /nfs/dbraw/zinc/11/13/31/569111331.db2.gz OASAQHDLNKFWOJ-JOCHJYFZSA-N 0 0 427.570 2.630 50 0 IFAARN COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2c[nH]c3cc(F)ccc23)c1 ZINC000065162038 569112590 /nfs/dbraw/zinc/11/25/90/569112590.db2.gz GVXWGLJEHWBHCI-UHFFFAOYSA-N 0 0 433.505 2.513 50 0 IFAARN CCc1nc2c(-c3ccncc3)nsc2c(=O)n1CC(=O)NCc1ccc(OC)cc1 ZINC000065171090 569112794 /nfs/dbraw/zinc/11/27/94/569112794.db2.gz QJEPLNVLXVRMDU-UHFFFAOYSA-N 0 0 435.509 2.802 50 0 IFAARN CCc1nc2c(-c3ccncc3)nsc2c(=O)n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000065171072 569112842 /nfs/dbraw/zinc/11/28/42/569112842.db2.gz BCFVHILVXWORMS-UHFFFAOYSA-N 0 0 435.465 2.845 50 0 IFAARN CCCNC(=O)C1CCN(c2cc(SCC(=O)Nc3ccc(OC)cc3)ncn2)CC1 ZINC000065183133 569113769 /nfs/dbraw/zinc/11/37/69/569113769.db2.gz ZJCICAUGNDRAEP-UHFFFAOYSA-N 0 0 443.573 2.959 50 0 IFAARN O=C(Cn1c2csnc2c(=O)n(Cc2ccccc2)c1=O)Nc1ccccc1Cl ZINC000065184861 569114073 /nfs/dbraw/zinc/11/40/73/569114073.db2.gz HMGHERKGCBLPSD-UHFFFAOYSA-N 0 0 426.885 2.960 50 0 IFAARN O=C(Cn1c2csnc2c(=O)n(Cc2ccccc2)c1=O)Nc1cc(F)ccc1F ZINC000065184882 569114089 /nfs/dbraw/zinc/11/40/89/569114089.db2.gz GIHPPYLMYRIXCQ-UHFFFAOYSA-N 0 0 428.420 2.585 50 0 IFAARN O=C(Cn1c2csnc2c(=O)n(Cc2ccccc2F)c1=O)Nc1ccccc1F ZINC000065184926 569114171 /nfs/dbraw/zinc/11/41/71/569114171.db2.gz UIRSICMMPAHGSM-UHFFFAOYSA-N 0 0 428.420 2.585 50 0 IFAARN Cc1nnc2c(S(=O)(=O)N(CC(=O)OC(C)(C)C)c3ccc(F)c(F)c3)cccn12 ZINC000065185300 569114264 /nfs/dbraw/zinc/11/42/64/569114264.db2.gz LWABDJVZINCNEF-UHFFFAOYSA-N 0 0 438.456 2.853 50 0 IFAARN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)N2CCN(c3ccccc3F)CC2)o1 ZINC000065194110 569114669 /nfs/dbraw/zinc/11/46/69/569114669.db2.gz MNOGZUYQQCVEBY-UHFFFAOYSA-N 0 0 433.509 2.650 50 0 IFAARN Cc1ccc(Cn2nc3ccc(S(=O)(=O)N4CCc5ccccc5C4)cn3c2=O)cc1 ZINC000065198731 569114902 /nfs/dbraw/zinc/11/49/02/569114902.db2.gz IQEITDIFNWXKNU-UHFFFAOYSA-N 0 0 434.521 2.600 50 0 IFAARN COc1ccc(-c2noc(Cn3ccn(-c4c(C)cccc4C)c(=O)c3=O)n2)cc1OC ZINC000065198576 569114988 /nfs/dbraw/zinc/11/49/88/569114988.db2.gz FVKSOSHPXRIJBL-UHFFFAOYSA-N 0 0 434.452 2.732 50 0 IFAARN O=C(NCc1cc(F)cc(F)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195534 569115432 /nfs/dbraw/zinc/11/54/32/569115432.db2.gz OLEQMAZWJZUWJY-QGZVFWFLSA-N 0 0 439.462 2.933 50 0 IFAARN CCC(=O)N1CCc2sc(S(=O)(=O)N3CCN(c4cccc(C)c4)CC3)cc2C1 ZINC000065196190 569115535 /nfs/dbraw/zinc/11/55/35/569115535.db2.gz XRUCKLABEGOWHY-UHFFFAOYSA-N 0 0 433.599 2.862 50 0 IFAARN CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)cc2C1 ZINC000065196131 569115586 /nfs/dbraw/zinc/11/55/86/569115586.db2.gz POHTYYAUHDOMJC-UHFFFAOYSA-N 0 0 439.990 2.817 50 0 IFAARN CC(C)C(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(c4ccccc4F)CC3)c2)nc1 ZINC000065196981 569115824 /nfs/dbraw/zinc/11/58/24/569115824.db2.gz SQTADKQJXJCNOM-UHFFFAOYSA-N 0 0 436.491 2.963 50 0 IFAARN COc1ccc(-n2c3ncc(C(=O)Nc4ccc(F)c(C)c4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197123 569115890 /nfs/dbraw/zinc/11/58/90/569115890.db2.gz LSRUETMBDCGLMU-UHFFFAOYSA-N 0 0 434.427 2.793 50 0 IFAARN COc1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccccc2)cc1Cl ZINC000065197098 569115894 /nfs/dbraw/zinc/11/58/94/569115894.db2.gz CGOPOJLXGVXTEX-UHFFFAOYSA-N 0 0 436.855 2.999 50 0 IFAARN O=C(Nc1ccc(-n2cnc(C(=O)N3CCN(c4ccccc4F)CC3)c2)nc1)C1CC1 ZINC000065197055 569115918 /nfs/dbraw/zinc/11/59/18/569115918.db2.gz GXSNLZUQKVSGNJ-UHFFFAOYSA-N 0 0 434.475 2.717 50 0 IFAARN O=C(NCCCN1CCCC1=O)c1cc2c(s1)CCN(C(=O)c1ccc(F)cc1)C2 ZINC000065201511 569116204 /nfs/dbraw/zinc/11/62/04/569116204.db2.gz SAFPBFOLCSNUBQ-UHFFFAOYSA-N 0 0 429.517 2.828 50 0 IFAARN CC[C@H](NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1)c1ccc(OC)cc1 ZINC000065226794 569117976 /nfs/dbraw/zinc/11/79/76/569117976.db2.gz KDMHKYGZTJCENT-NRFANRHFSA-N 0 0 439.560 2.806 50 0 IFAARN Cc1nc2cc(N3CCC[C@@H](C(=O)N4CCN(c5ccccn5)CC4)C3)cnc2nc1C ZINC000065227253 569118155 /nfs/dbraw/zinc/11/81/55/569118155.db2.gz VFUJFASUOVNJMA-LJQANCHMSA-N 0 0 431.544 2.602 50 0 IFAARN COc1ccc(C(=O)Nc2nccnc2C(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000065228603 569118387 /nfs/dbraw/zinc/11/83/87/569118387.db2.gz YJEXQYDMDMARDU-UHFFFAOYSA-N 0 0 447.495 2.709 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1Cl ZINC000065232362 569118962 /nfs/dbraw/zinc/11/89/62/569118962.db2.gz QDBZOVAFVIJMBC-UHFFFAOYSA-N 0 0 441.937 2.915 50 0 IFAARN Cc1oc(C2CCN(S(=O)(=O)CCc3ccccc3)CC2)nc1C(=O)N1CCCC1 ZINC000065232372 569118990 /nfs/dbraw/zinc/11/89/90/569118990.db2.gz HSUBJCVPYQKLEP-UHFFFAOYSA-N 0 0 431.558 2.971 50 0 IFAARN COc1cccc(CNC(=O)C2CCN(c3cc(N4CCSCC4)ncn3)CC2)c1 ZINC000065237170 569119575 /nfs/dbraw/zinc/11/95/75/569119575.db2.gz RVQZRFJJQWOGBF-UHFFFAOYSA-N 0 0 427.574 2.571 50 0 IFAARN COC(=O)[C@@H](CCSC)NC(=S)N1CCN(c2cc(C)c3ccccc3n2)CC1 ZINC000036580020 569119745 /nfs/dbraw/zinc/11/97/45/569119745.db2.gz LYPITUPPHKRVNS-GOSISDBHSA-N 0 0 432.615 2.834 50 0 IFAARN C=C1C(N2CCCN(C(=O)Cc3cccs3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239296 569120328 /nfs/dbraw/zinc/12/03/28/569120328.db2.gz CNOXXMXCVUWYBT-UHFFFAOYSA-N 0 0 429.567 2.998 50 0 IFAARN C=C1C(N2CCCN(C(=O)[C@@H]3CCCO3)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239475 569120490 /nfs/dbraw/zinc/12/04/90/569120490.db2.gz PNGGAZSTIJROPT-KRWDZBQOSA-N 0 0 437.949 2.526 50 0 IFAARN C=C1C(N2CCCN(C(=O)c3ccn(CC)n3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239462 569120509 /nfs/dbraw/zinc/12/05/09/569120509.db2.gz OZUUXFZDUBVXOZ-UHFFFAOYSA-N 0 0 441.557 2.532 50 0 IFAARN O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000036593497 569121226 /nfs/dbraw/zinc/12/12/26/569121226.db2.gz ANUWIEVIIHBVSQ-HXUWFJFHSA-N 0 0 449.507 2.912 50 0 IFAARN CCN(C(=O)CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000036593212 569121277 /nfs/dbraw/zinc/12/12/77/569121277.db2.gz CGXMJYICEXVMJR-IMLBUBJESA-N 0 0 448.566 2.705 50 0 IFAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1ccccc1Cl ZINC000036596337 569121427 /nfs/dbraw/zinc/12/14/27/569121427.db2.gz TWBFKDMXJFRPHO-MRXNPFEDSA-N 0 0 429.860 2.790 50 0 IFAARN CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2NCCc2c[nH]c3ccccc23)cc1 ZINC000036596556 569121452 /nfs/dbraw/zinc/12/14/52/569121452.db2.gz JWSAZBZGNJQFGO-YADHBBJMSA-N 0 0 446.594 2.502 50 0 IFAARN CCc1nn(CC)c(=O)c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn21 ZINC000065247284 569121982 /nfs/dbraw/zinc/12/19/82/569121982.db2.gz QHBICEBFRIZKHL-UHFFFAOYSA-N 0 0 428.558 2.722 50 0 IFAARN Cc1nn(C(F)F)cc1S(=O)(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2 ZINC000036614809 569122259 /nfs/dbraw/zinc/12/22/59/569122259.db2.gz RJZPGSKECJIREH-UHFFFAOYSA-N 0 0 427.399 2.659 50 0 IFAARN COC(=O)Nc1ccc(S(=O)(=O)NCCCn2nc3c(c2C(F)(F)F)CCC3)cc1 ZINC000036614867 569122296 /nfs/dbraw/zinc/12/22/96/569122296.db2.gz HKDWREWKVYFKMN-UHFFFAOYSA-N 0 0 446.451 2.938 50 0 IFAARN CCCNc1nc(CSc2nc3cnn(C)c3c(=O)n2CC)c(C(=O)OCC)s1 ZINC000036615202 569122386 /nfs/dbraw/zinc/12/23/86/569122386.db2.gz XMXSXOVCZIURHM-UHFFFAOYSA-N 0 0 436.563 2.897 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)NCc4ccccc4)c3)nc2)C1 ZINC000065254337 569122500 /nfs/dbraw/zinc/12/25/00/569122500.db2.gz NBYNJUGBBAMDBO-QGZVFWFLSA-N 0 0 439.541 2.618 50 0 IFAARN COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)NC[C@H](C)Cn1ccc(C(F)(F)F)n1 ZINC000036612472 569123719 /nfs/dbraw/zinc/12/37/19/569123719.db2.gz WHUXMWIABGTJEO-VIFPVBQESA-N 0 0 446.451 2.758 50 0 IFAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2 ZINC000065259667 569124731 /nfs/dbraw/zinc/12/47/31/569124731.db2.gz SZQZXFLZGBLPPY-OAQYLSRUSA-N 0 0 447.601 2.836 50 0 IFAARN COc1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259748 569124815 /nfs/dbraw/zinc/12/48/15/569124815.db2.gz MBAIFSATDGHSQV-FQEVSTJZSA-N 0 0 443.569 2.978 50 0 IFAARN COC(=O)C[C@H](NC(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1)c1ccccc1 ZINC000065260221 569124951 /nfs/dbraw/zinc/12/49/51/569124951.db2.gz BOHCRYIFIYFIFC-IBGZPJMESA-N 0 0 432.480 2.809 50 0 IFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(OCC(C)C)c(OC)c1 ZINC000013156012 569125771 /nfs/dbraw/zinc/12/57/71/569125771.db2.gz RJTHMSRUTVOLDT-IBGZPJMESA-N 0 0 443.496 2.787 50 0 IFAARN CCCn1nc2c(c1C)c(C(F)F)cc(=O)n2CCC(=O)Nc1ncnc2c1cnn2C ZINC000036621493 569126177 /nfs/dbraw/zinc/12/61/77/569126177.db2.gz VOLNCPQYTKNCGX-UHFFFAOYSA-N 0 0 444.446 2.560 50 0 IFAARN COc1cc([C@@H](CC(=O)NCc2c(C)noc2C)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731138 569126348 /nfs/dbraw/zinc/12/63/48/569126348.db2.gz LHKPWGIJYFCJEK-OAHLLOKOSA-N 0 0 428.441 2.811 50 0 IFAARN COc1c2c(c(CNC(=O)c3cccc(NC(=O)C(C)C)c3)c3c1C[N@H+](C)CC3)OCO2 ZINC000524731793 569126647 /nfs/dbraw/zinc/12/66/47/569126647.db2.gz KPJWCJTWODEFAW-UHFFFAOYSA-N 0 0 439.512 2.936 50 0 IFAARN NC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)cc1 ZINC000524732835 569126926 /nfs/dbraw/zinc/12/69/26/569126926.db2.gz RYNQQVCRQMOOBG-FQEVSTJZSA-N 0 0 428.448 2.624 50 0 IFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCc1nc(Cc2ccccc2)no1 ZINC000524735040 569127907 /nfs/dbraw/zinc/12/79/07/569127907.db2.gz QDMINRAYPQGLSE-FKRCVWNDSA-N 0 0 446.507 2.819 50 0 IFAARN Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000524734837 569127940 /nfs/dbraw/zinc/12/79/40/569127940.db2.gz QWUOJXGRCACRTL-ICSRJNTNSA-N 0 0 431.496 2.768 50 0 IFAARN COC(=O)c1cn(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000524734053 569127987 /nfs/dbraw/zinc/12/79/87/569127987.db2.gz RHEGKPDKIRZHOV-IBGZPJMESA-N 0 0 428.448 2.951 50 0 IFAARN COc1ccc(-c2nccn3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)nc23)cc1 ZINC000065274412 569128467 /nfs/dbraw/zinc/12/84/67/569128467.db2.gz VJKVEDUYAJIJGZ-UHFFFAOYSA-N 0 0 431.452 2.596 50 0 IFAARN CCCc1nc2cccnc2n1[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1 ZINC000065271737 569128600 /nfs/dbraw/zinc/12/86/00/569128600.db2.gz LQXOEZUVIOMFEI-INIZCTEOSA-N 0 0 439.541 2.538 50 0 IFAARN C=C1C(N2CCCN(S(=O)(=O)CCCC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065272006 569128856 /nfs/dbraw/zinc/12/88/56/569128856.db2.gz BOKKZZBTIPJBNX-UHFFFAOYSA-N 0 0 439.603 2.606 50 0 IFAARN COc1ccc(CNC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c(OC)c1 ZINC000065272802 569129278 /nfs/dbraw/zinc/12/92/78/569129278.db2.gz QPDAJUNYELPAFQ-OAHLLOKOSA-N 0 0 444.553 2.659 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc1 ZINC000065273314 569129385 /nfs/dbraw/zinc/12/93/85/569129385.db2.gz DDAHJAQETCDHST-MRXNPFEDSA-N 0 0 428.558 2.954 50 0 IFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2cccc(Cl)c2)CC3)CC1 ZINC000065273379 569129462 /nfs/dbraw/zinc/12/94/62/569129462.db2.gz ZDJFIJRIFKZMRF-INIZCTEOSA-N 0 0 432.977 2.886 50 0 IFAARN COc1ccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)c(OC)c1 ZINC000065273397 569129486 /nfs/dbraw/zinc/12/94/86/569129486.db2.gz TZJTWXUGBQCXNQ-HNNXBMFYSA-N 0 0 444.557 2.572 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc4c(c2)OCO4)CC3)CC1 ZINC000065273458 569129591 /nfs/dbraw/zinc/12/95/91/569129591.db2.gz GLWDMWFXFLUCMM-CQSZACIVSA-N 0 0 442.541 2.674 50 0 IFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(OC)cc2)CC3)CC1 ZINC000065273476 569129596 /nfs/dbraw/zinc/12/95/96/569129596.db2.gz GTAKCHOMWMKWNT-OAHLLOKOSA-N 0 0 428.558 2.954 50 0 IFAARN CSc1nc2c(cnn2CCNC(=O)c2cc(-c3ccco3)on2)c(N2CCCC2)n1 ZINC000036655486 569130200 /nfs/dbraw/zinc/13/02/00/569130200.db2.gz BFUGLKAXUXNAJO-UHFFFAOYSA-N 0 0 439.501 2.826 50 0 IFAARN CC(C)Cn1c2cnccc2nc(N2CCN(C(=O)NCCc3ccccc3)CC2)c1=O ZINC000065292846 569130814 /nfs/dbraw/zinc/13/08/14/569130814.db2.gz JWOIVDRFRNSSSO-UHFFFAOYSA-N 0 0 434.544 2.522 50 0 IFAARN COc1ccc(NC(=O)Cn2ncc3c2ncnc3N2CCN(c3ccccc3)CC2)cc1 ZINC000065295337 569131402 /nfs/dbraw/zinc/13/14/02/569131402.db2.gz DCJNNGGNYSEDQS-UHFFFAOYSA-N 0 0 443.511 2.800 50 0 IFAARN CC(=O)Nc1nsc(N2CCC(C(=O)NCc3cccc(Br)c3)CC2)n1 ZINC000065307683 569132480 /nfs/dbraw/zinc/13/24/80/569132480.db2.gz AZKBGPVCDGVZOM-UHFFFAOYSA-N 0 0 438.351 2.792 50 0 IFAARN Cc1cc2nn(CC(=O)Nc3cc(F)cc(F)c3)c(=O)n2c(Nc2ccc(F)cc2)n1 ZINC000065307831 569132543 /nfs/dbraw/zinc/13/25/43/569132543.db2.gz IOTJJQMDLYGDIP-UHFFFAOYSA-N 0 0 428.374 2.999 50 0 IFAARN Cc1cccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CCC(C)C)c2=O)c1 ZINC000065305152 569132911 /nfs/dbraw/zinc/13/29/11/569132911.db2.gz RLYWGESAYZZMOA-UHFFFAOYSA-N 0 0 425.514 2.866 50 0 IFAARN Cc1ccccc1NC(=O)Cn1nc2n(c3ccsc3c(=O)n2CCC(C)C)c1=O ZINC000065305151 569132936 /nfs/dbraw/zinc/13/29/36/569132936.db2.gz DHCWUXNKJMHTPU-UHFFFAOYSA-N 0 0 425.514 2.866 50 0 IFAARN COc1cccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CCC(C)C)c2=O)c1 ZINC000065305137 569132938 /nfs/dbraw/zinc/13/29/38/569132938.db2.gz JGIKCUNUEDIYHJ-UHFFFAOYSA-N 0 0 441.513 2.566 50 0 IFAARN COc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CCC(C)C)c2=O)cc1 ZINC000065305148 569132941 /nfs/dbraw/zinc/13/29/41/569132941.db2.gz GEYVHWDLWXVHPI-UHFFFAOYSA-N 0 0 441.513 2.566 50 0 IFAARN CC(C)Cn1c2nn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)n2c2ccsc2c1=O ZINC000065305255 569133072 /nfs/dbraw/zinc/13/30/72/569133072.db2.gz MHTCRCWEUUYSKS-UHFFFAOYSA-N 0 0 449.895 2.960 50 0 IFAARN CCc1cccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)c1 ZINC000065305243 569133102 /nfs/dbraw/zinc/13/31/02/569133102.db2.gz HIBAWWUMPILZJR-UHFFFAOYSA-N 0 0 425.514 2.730 50 0 IFAARN CCCCn1c2nn(CC(=O)Nc3ccccc3OCC)c(=O)n2c2ccsc2c1=O ZINC000065305319 569133125 /nfs/dbraw/zinc/13/31/25/569133125.db2.gz HTLGIZIAYZAVAV-UHFFFAOYSA-N 0 0 441.513 2.710 50 0 IFAARN COc1ccccc1N1CCN(Cc2nc3nc(C)cc(N4CCC(C)CC4)n3n2)CC1 ZINC000065311609 569133501 /nfs/dbraw/zinc/13/35/01/569133501.db2.gz VKHKIJHQJLFPDD-UHFFFAOYSA-N 0 0 435.576 3.000 50 0 IFAARN COc1cccc(N2CCN(Cc3nc4nc(C)cc(N5CCC(C)CC5)n4n3)CC2)c1 ZINC000065311606 569133531 /nfs/dbraw/zinc/13/35/31/569133531.db2.gz AMKCDUXFWCFZRF-UHFFFAOYSA-N 0 0 435.576 3.000 50 0 IFAARN CCCc1cc(N2CCN(C(=O)Cc3ccc(OC)c(Cl)c3)CC2)nc2nnc(C)n21 ZINC000065312106 569133684 /nfs/dbraw/zinc/13/36/84/569133684.db2.gz HOUKMLUIGBFWTR-UHFFFAOYSA-N 0 0 442.951 2.939 50 0 IFAARN O=C(Nc1nnc(-c2cccnc2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000036695684 569133876 /nfs/dbraw/zinc/13/38/76/569133876.db2.gz GBKMXNGRPVBORX-UHFFFAOYSA-N 0 0 427.486 2.949 50 0 IFAARN C[C@@H](NC(=O)CSc1nnc(CCC(N)=O)n1Cc1ccco1)c1ccc(F)cc1F ZINC000036692648 569133920 /nfs/dbraw/zinc/13/39/20/569133920.db2.gz VWUPFUPEVTWLPC-GFCCVEGCSA-N 0 0 449.483 2.585 50 0 IFAARN CS(=O)(=O)N1CCC[C@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2c(cccc2Cl)s1 ZINC000036703698 569133973 /nfs/dbraw/zinc/13/39/73/569133973.db2.gz ZBJUTCBTJDOQMQ-JSGCOSHPSA-N 0 0 443.978 2.886 50 0 IFAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccccc3)CC1)C2=O ZINC000036705963 569134694 /nfs/dbraw/zinc/13/46/94/569134694.db2.gz ALHVYIFOQVLLGT-UHFFFAOYSA-N 0 0 426.561 2.862 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)cc1OC ZINC000065312939 569135061 /nfs/dbraw/zinc/13/50/61/569135061.db2.gz HZOMTBCAOSMVMD-HNNXBMFYSA-N 0 0 429.908 2.933 50 0 IFAARN CCCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700182 569135137 /nfs/dbraw/zinc/13/51/37/569135137.db2.gz QGGUQWHFLNBNNG-NRFANRHFSA-N 0 0 431.558 2.777 50 0 IFAARN Cc1cc(NC(=O)CSc2cc(N3CCN(c4ccccc4F)CC3)ncn2)on1 ZINC000036708513 569135919 /nfs/dbraw/zinc/13/59/19/569135919.db2.gz SCWNWZOFMGWMCH-UHFFFAOYSA-N 0 0 428.493 2.970 50 0 IFAARN Cn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1cc(F)ccc1F ZINC000065319782 569135951 /nfs/dbraw/zinc/13/59/51/569135951.db2.gz KZDHTNIMCHSMNN-UHFFFAOYSA-N 0 0 437.497 2.999 50 0 IFAARN COCCNS(=O)(=O)c1cc(C(=O)OCc2ccccc2OC(F)F)ccc1OC ZINC000036712620 569136443 /nfs/dbraw/zinc/13/64/43/569136443.db2.gz IONRZBKXINIPFL-UHFFFAOYSA-N 0 0 445.440 2.578 50 0 IFAARN Cc1nn(CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1-c1ccccc1 ZINC000238831758 569137310 /nfs/dbraw/zinc/13/73/10/569137310.db2.gz GBRARNWBQQQSOE-UHFFFAOYSA-N 0 0 426.542 2.847 50 0 IFAARN CCCCn1c2ncn(CCC(C)C)c2c(=O)n(CC(=O)N[C@H]2CCCC[C@@H]2C)c1=O ZINC000007212883 569138131 /nfs/dbraw/zinc/13/81/31/569138131.db2.gz OIBCSXZHPQHEKO-ROUUACIJSA-N 0 0 431.581 2.901 50 0 IFAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000036801119 569138169 /nfs/dbraw/zinc/13/81/69/569138169.db2.gz ZPWDHNWFPIVSKR-GFCCVEGCSA-N 0 0 425.411 2.722 50 0 IFAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCN(C3CCCCC3)CC2)c1C(=O)N1CCCCC1 ZINC000037008936 569139490 /nfs/dbraw/zinc/13/94/90/569139490.db2.gz ORFUAXUNOOODMK-UHFFFAOYSA-N 0 0 436.622 2.897 50 0 IFAARN O=C(CNC(=O)Nc1ccccc1Oc1ccccc1)N1CCN(c2cnccn2)CC1 ZINC000065591205 569139944 /nfs/dbraw/zinc/13/99/44/569139944.db2.gz LEHWQBATFWFIAA-UHFFFAOYSA-N 0 0 432.484 2.739 50 0 IFAARN COC(=O)c1cc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)ccc2o1 ZINC000065589196 569139973 /nfs/dbraw/zinc/13/99/73/569139973.db2.gz WPCZEDJRVSPELJ-CQSZACIVSA-N 0 0 436.420 2.982 50 0 IFAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000065604504 569140058 /nfs/dbraw/zinc/14/00/58/569140058.db2.gz CAKIERMAPFLPAJ-OAHLLOKOSA-N 0 0 426.542 2.942 50 0 IFAARN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000065614580 569140315 /nfs/dbraw/zinc/14/03/15/569140315.db2.gz MXRKQSOROQXCNM-LJQANCHMSA-N 0 0 444.513 2.585 50 0 IFAARN COC(=O)c1sccc1S(=O)(=O)NC[C@](O)(c1ccsc1)c1cccs1 ZINC000240122519 569140622 /nfs/dbraw/zinc/14/06/22/569140622.db2.gz WBGJNMCKNHGROJ-INIZCTEOSA-N 0 0 429.566 2.872 50 0 IFAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)N(C[C@H]1CCCO1)c1nc2c(cccc2Cl)s1 ZINC000240178585 569140817 /nfs/dbraw/zinc/14/08/17/569140817.db2.gz ZBJUTCBTJDOQMQ-TZMCWYRMSA-N 0 0 443.978 2.886 50 0 IFAARN O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000170593275 569141194 /nfs/dbraw/zinc/14/11/94/569141194.db2.gz HIKKGFIMHHXXDQ-OAQYLSRUSA-N 0 0 436.537 2.869 50 0 IFAARN C[C@@H](c1nnnn1-c1ccccc1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000170593422 569141251 /nfs/dbraw/zinc/14/12/51/569141251.db2.gz XFNQGVXODBOCNI-NZQKXSOJSA-N 0 0 445.571 2.532 50 0 IFAARN Cc1cc(C)c(NC(=O)CNC(=O)CN2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c(C)c1 ZINC000170601217 569143145 /nfs/dbraw/zinc/14/31/45/569143145.db2.gz NHGGKLLGJBZKCE-KDURUIRLSA-N 0 0 446.592 2.996 50 0 IFAARN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000170602470 569143269 /nfs/dbraw/zinc/14/32/69/569143269.db2.gz UWILMXMAWSKSSP-MOPGFXCFSA-N 0 0 446.527 2.810 50 0 IFAARN CC(C)[C@H]1CN(C(=O)c2cccc(NS(C)(=O)=O)c2)CCN1C(=O)OC(C)(C)C ZINC000170602421 569143299 /nfs/dbraw/zinc/14/32/99/569143299.db2.gz PWFQURLVEMIKOQ-QGZVFWFLSA-N 0 0 425.551 2.776 50 0 IFAARN CC(C)(CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1 ZINC000170603359 569143575 /nfs/dbraw/zinc/14/35/75/569143575.db2.gz GTHDLVPWZDCVLD-UHFFFAOYSA-N 0 0 449.132 2.700 50 0 IFAARN COCCNC(=O)Cn1c2cc(Cl)ccc2c(=O)n(-c2ccc(C)c(Cl)c2)c1=O ZINC000037263834 569144006 /nfs/dbraw/zinc/14/40/06/569144006.db2.gz OJPPIMMTOBHTHY-UHFFFAOYSA-N 0 0 436.295 2.530 50 0 IFAARN CN(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2C(F)(F)F)C2COC2)c1 ZINC000170607536 569144196 /nfs/dbraw/zinc/14/41/96/569144196.db2.gz FBACUMQJNWNDFD-UHFFFAOYSA-N 0 0 442.459 2.997 50 0 IFAARN O=C(c1ccc(=O)n(-c2ccccc2F)n1)N1CCN(c2cncc3ccccc32)CC1 ZINC000170607777 569144357 /nfs/dbraw/zinc/14/43/57/569144357.db2.gz FRCLVAJGXMUBBV-UHFFFAOYSA-N 0 0 429.455 2.882 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cnc2ccccc2c1 ZINC000170613283 569146257 /nfs/dbraw/zinc/14/62/57/569146257.db2.gz VBGJIQPNXYDJHM-UHFFFAOYSA-N 0 0 427.482 2.655 50 0 IFAARN CCOC(=O)[C@@H](NC(=O)CNC(=O)CC(C)(C)C)c1c(C)nn(Cc2ccccc2)c1C ZINC000170614372 569146341 /nfs/dbraw/zinc/14/63/41/569146341.db2.gz AKCBXIKAYYCPGG-QFIPXVFZSA-N 0 0 442.560 2.821 50 0 IFAARN O=C(Cn1c2ccccc2c2nnnn2c1=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000170614801 569146512 /nfs/dbraw/zinc/14/65/12/569146512.db2.gz GRYPXNDREGNJRI-QFIPXVFZSA-N 0 0 449.474 2.817 50 0 IFAARN COc1ccc(C(=O)N2CCC(n3cncc3C)CC2)nc1I ZINC000170617755 569146841 /nfs/dbraw/zinc/14/68/41/569146841.db2.gz HLWICAZFVBTKPW-UHFFFAOYSA-N 0 0 426.258 2.677 50 0 IFAARN O=C(NCCOC(=O)c1nc(Br)cs1)c1cncc(Br)c1 ZINC000170617287 569147118 /nfs/dbraw/zinc/14/71/18/569147118.db2.gz WIKMRVNMCDDNFA-UHFFFAOYSA-N 0 0 435.097 2.650 50 0 IFAARN O=C(COc1ccc2occ(C(=O)c3ccc(Cl)cc3)c2c1)N[C@H]1CCS(=O)(=O)C1 ZINC000170622187 569148004 /nfs/dbraw/zinc/14/80/04/569148004.db2.gz BSEWTXJBBBCJIB-HNNXBMFYSA-N 0 0 447.896 2.999 50 0 IFAARN CC(=O)Nc1cccc(NC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000170625657 569148504 /nfs/dbraw/zinc/14/85/04/569148504.db2.gz IEBARXFLSNEUNV-FQEVSTJZSA-N 0 0 433.468 2.618 50 0 IFAARN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000170626261 569148623 /nfs/dbraw/zinc/14/86/23/569148623.db2.gz AWRRCMYRWOYSCI-HNNXBMFYSA-N 0 0 438.347 2.578 50 0 IFAARN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000170626748 569148729 /nfs/dbraw/zinc/14/87/29/569148729.db2.gz YHRRBSVHAGAKDG-IRXDYDNUSA-N 0 0 434.370 2.588 50 0 IFAARN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000170626745 569148756 /nfs/dbraw/zinc/14/87/56/569148756.db2.gz YHRRBSVHAGAKDG-IAGOWNOFSA-N 0 0 434.370 2.588 50 0 IFAARN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000170629080 569148880 /nfs/dbraw/zinc/14/88/80/569148880.db2.gz OXPLPESWJYPFFV-IUODEOHRSA-N 0 0 435.224 2.996 50 0 IFAARN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000170629078 569148888 /nfs/dbraw/zinc/14/88/88/569148888.db2.gz OXPLPESWJYPFFV-WFASDCNBSA-N 0 0 435.224 2.996 50 0 IFAARN O=C(CSc1ccc(F)cc1)Nc1ccc(-n2nnc(C(=O)N3CCCC3)n2)cc1 ZINC000071001832 569149254 /nfs/dbraw/zinc/14/92/54/569149254.db2.gz RMJXDNIBKHJZAU-UHFFFAOYSA-N 0 0 426.477 2.768 50 0 IFAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000009869967 569149359 /nfs/dbraw/zinc/14/93/59/569149359.db2.gz WWDULSPXUSQANJ-UHFFFAOYSA-N 0 0 444.582 2.919 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COCc2nc3ccccc3s2)C1=O ZINC000009870200 569149418 /nfs/dbraw/zinc/14/94/18/569149418.db2.gz LFNKVWJJZZIJET-JOCHJYFZSA-N 0 0 438.509 2.787 50 0 IFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000009882821 569149788 /nfs/dbraw/zinc/14/97/88/569149788.db2.gz WVBQBAXTIXTJJB-UHFFFAOYSA-N 0 0 427.482 2.603 50 0 IFAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1ccccc1F ZINC000009883472 569149984 /nfs/dbraw/zinc/14/99/84/569149984.db2.gz RHDZGTKZRRUEGU-SNVBAGLBSA-N 0 0 449.287 2.981 50 0 IFAARN O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCN(CCc2ccccn2)CC1 ZINC000071288958 569151003 /nfs/dbraw/zinc/15/10/03/569151003.db2.gz OUIOOMABGLYODS-QGZVFWFLSA-N 0 0 430.936 2.625 50 0 IFAARN COc1ccc(C2(CNC(=O)Cn3nc(-c4cccs4)ccc3=O)CCOCC2)cc1 ZINC000071288943 569151041 /nfs/dbraw/zinc/15/10/41/569151041.db2.gz QXLXQRYPWRJJCT-UHFFFAOYSA-N 0 0 439.537 2.845 50 0 IFAARN O=C(c1cnn(Cc2ccccc2)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000010029137 569151921 /nfs/dbraw/zinc/15/19/21/569151921.db2.gz UKDISZAIBMGUOK-UHFFFAOYSA-N 0 0 442.516 2.607 50 0 IFAARN COc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3F)n2)cc(OC)c1OC ZINC000010220824 569153048 /nfs/dbraw/zinc/15/30/48/569153048.db2.gz VDJHTKIMKHZTML-UHFFFAOYSA-N 0 0 431.395 2.853 50 0 IFAARN C[C@@H](NC(=O)CN1CCC(n2c3ccccc3[nH]c2=O)CC1)c1ccc2c(c1)OCCO2 ZINC000010216203 569153120 /nfs/dbraw/zinc/15/31/20/569153120.db2.gz RNUBCLZHTFHVJW-MRXNPFEDSA-N 0 0 436.512 2.615 50 0 IFAARN COc1ccc(S(=O)(=O)CC(=O)N(CCN(C)C)c2nc3c(cccc3C)s2)cc1 ZINC000010219248 569153611 /nfs/dbraw/zinc/15/36/11/569153611.db2.gz LPEQHDRPUVXCNL-UHFFFAOYSA-N 0 0 447.582 2.982 50 0 IFAARN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)CC(C)(C)C1 ZINC000010219681 569153872 /nfs/dbraw/zinc/15/38/72/569153872.db2.gz WWDUYCDOJXDBMC-HUUCEWRRSA-N 0 0 444.557 2.570 50 0 IFAARN O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)N1CCc2ccccc21 ZINC000010255499 569154043 /nfs/dbraw/zinc/15/40/43/569154043.db2.gz PCQGDJPXQPJREO-KRWDZBQOSA-N 0 0 425.554 2.983 50 0 IFAARN C[C@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000249681013 569155360 /nfs/dbraw/zinc/15/53/60/569155360.db2.gz BBSMPINLNMSYNB-RAIGVLPGSA-N 0 0 444.841 2.622 50 0 IFAARN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccc2c(c1)OCO2 ZINC000013573108 569155780 /nfs/dbraw/zinc/15/57/80/569155780.db2.gz RUYBZGDMIYFSPF-KGLIPLIRSA-N 0 0 443.550 2.653 50 0 IFAARN COc1cccc(-c2nnc3ccc(OCCNC(=O)Cc4ccccc4OC)nn32)c1 ZINC000013706464 569156788 /nfs/dbraw/zinc/15/67/88/569156788.db2.gz BWHNEYIKHYKJMN-UHFFFAOYSA-N 0 0 433.468 2.546 50 0 IFAARN CCc1ccc(S(=O)(=O)NCCCn2nc(-c3ccc(OC)cc3)ccc2=O)s1 ZINC000013798576 569156995 /nfs/dbraw/zinc/15/69/95/569156995.db2.gz QNXQPBDGIOWEFG-UHFFFAOYSA-N 0 0 433.555 2.911 50 0 IFAARN O=C([C@H]1Cc2ccccc2S1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000014047886 569157641 /nfs/dbraw/zinc/15/76/41/569157641.db2.gz XUTXLEREBKEIDS-CQSZACIVSA-N 0 0 428.988 2.951 50 0 IFAARN CCN(C(=O)c1nc(Cl)ccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014585146 569159318 /nfs/dbraw/zinc/15/93/18/569159318.db2.gz LTZSSNAFHFZSJX-UHFFFAOYSA-N 0 0 434.283 2.536 50 0 IFAARN CCOc1ccccc1OCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000014572873 569159366 /nfs/dbraw/zinc/15/93/66/569159366.db2.gz SETKQEATKQCIIN-KRWDZBQOSA-N 0 0 437.496 2.908 50 0 IFAARN Cc1cc2ncn(C[C@H](O)CNC(=O)CCC(=O)c3ccc4c(c3)OCCO4)c2cc1C ZINC000089609006 569159857 /nfs/dbraw/zinc/15/98/57/569159857.db2.gz IKQPDKSGTMTUFD-GOSISDBHSA-N 0 0 437.496 2.565 50 0 IFAARN COc1cccc(Oc2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)ncn2)c1 ZINC000037342239 569159879 /nfs/dbraw/zinc/15/98/79/569159879.db2.gz IVBDOLDCPHQKMX-UHFFFAOYSA-N 0 0 426.498 2.788 50 0 IFAARN CC(C)(C(=O)OCC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@@H](O)c1cccc(O)c1 ZINC000089621102 569159974 /nfs/dbraw/zinc/15/99/74/569159974.db2.gz OVVJSTGTGZKZOW-FQEVSTJZSA-N 0 0 426.469 2.526 50 0 IFAARN Cc1ccc(CCC(=O)NCC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000089632223 569160287 /nfs/dbraw/zinc/16/02/87/569160287.db2.gz QCGQZDCVJJQQNU-HXUWFJFHSA-N 0 0 429.586 2.637 50 0 IFAARN Cc1cccc(NC(=O)CSCC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)c1 ZINC000089672801 569161163 /nfs/dbraw/zinc/16/11/63/569161163.db2.gz SAYZTILPRFANKF-GCJKJVERSA-N 0 0 429.517 2.894 50 0 IFAARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000089768323 569162438 /nfs/dbraw/zinc/16/24/38/569162438.db2.gz NBGBHYQDHLNULT-GJZGRUSLSA-N 0 0 427.328 2.880 50 0 IFAARN CC(=O)c1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)c1 ZINC000016842163 569163348 /nfs/dbraw/zinc/16/33/48/569163348.db2.gz DPRHXAWXFUBBLT-UHFFFAOYSA-N 0 0 448.551 2.887 50 0 IFAARN COc1ccc(CNC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000016841869 569163351 /nfs/dbraw/zinc/16/33/51/569163351.db2.gz CGFOJEGBWGQXOJ-UHFFFAOYSA-N 0 0 439.472 2.641 50 0 IFAARN CC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)cc1 ZINC000016842460 569163452 /nfs/dbraw/zinc/16/34/52/569163452.db2.gz FTOYNMJFRNMLKZ-UHFFFAOYSA-N 0 0 448.551 2.887 50 0 IFAARN O=C(NCc1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1)c1cccs1 ZINC000089793934 569164050 /nfs/dbraw/zinc/16/40/50/569164050.db2.gz JCCDEGGTNXWJNZ-UHFFFAOYSA-N 0 0 434.521 2.671 50 0 IFAARN Cc1ccc2nc(NC(=O)CSc3nnc(-c4ccc(=O)n(C)c4)n3C)sc2c1 ZINC000016849535 569164578 /nfs/dbraw/zinc/16/45/78/569164578.db2.gz YXFITYKKKJIHBS-UHFFFAOYSA-N 0 0 426.527 2.830 50 0 IFAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000016850893 569164883 /nfs/dbraw/zinc/16/48/83/569164883.db2.gz CTAWWZAEJGKBFY-SFHVURJKSA-N 0 0 428.558 2.974 50 0 IFAARN COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1OC ZINC000016851266 569164937 /nfs/dbraw/zinc/16/49/37/569164937.db2.gz VAMRVEOXSPMXAE-UHFFFAOYSA-N 0 0 428.470 2.672 50 0 IFAARN COc1ccc(C(=O)Nc2ccccc2[C@H](NC(=O)c2ccc(OC)nn2)C(C)C)nn1 ZINC000089801796 569164969 /nfs/dbraw/zinc/16/49/69/569164969.db2.gz KOJBEUIPQFRLGE-HXUWFJFHSA-N 0 0 436.472 2.663 50 0 IFAARN O=S(=O)(c1ccc2c(c1)nc(-c1cccs1)n2C[C@@H]1CCCO1)N1CCOCC1 ZINC000089800083 569164979 /nfs/dbraw/zinc/16/49/79/569164979.db2.gz KKTZUWVGNYNTLW-HNNXBMFYSA-N 0 0 433.555 2.965 50 0 IFAARN O=C(c1ccccn1)N1CCCN(C(=O)c2ccccc2I)CC1 ZINC000089809697 569165046 /nfs/dbraw/zinc/16/50/46/569165046.db2.gz OUOQTHJEYWGQBC-UHFFFAOYSA-N 0 0 435.265 2.675 50 0 IFAARN O=C(Cn1c(=O)c(Br)cn(Cc2ccccc2)c1=O)Nc1cccc(F)c1 ZINC000089841006 569165580 /nfs/dbraw/zinc/16/55/80/569165580.db2.gz FKBDTDYRDLTBMV-UHFFFAOYSA-N 0 0 432.249 2.599 50 0 IFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O ZINC000016890849 569165653 /nfs/dbraw/zinc/16/56/53/569165653.db2.gz GXMXZFHDALWQHQ-MRXNPFEDSA-N 0 0 425.460 2.706 50 0 IFAARN COCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)nc(C)n3C2CCCC2)CC1 ZINC000008912170 569166381 /nfs/dbraw/zinc/16/63/81/569166381.db2.gz VSKKNIAJKQKOKQ-UHFFFAOYSA-N 0 0 448.589 2.623 50 0 IFAARN C[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1nc(-c2ccccc2)no1 ZINC000089901244 569167031 /nfs/dbraw/zinc/16/70/31/569167031.db2.gz WVZJXAVPHGQSLY-ZDUSSCGKSA-N 0 0 432.502 2.940 50 0 IFAARN COc1ccccc1[C@H](C)NC(=O)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000089909777 569167236 /nfs/dbraw/zinc/16/72/36/569167236.db2.gz KMZVURWAQQAEKT-FQEVSTJZSA-N 0 0 433.556 2.876 50 0 IFAARN COc1ccc(NC(=O)C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC000016955199 569167618 /nfs/dbraw/zinc/16/76/18/569167618.db2.gz BJSKJLQNSCTDLY-HXUWFJFHSA-N 0 0 431.920 2.867 50 0 IFAARN COc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000016960139 569168118 /nfs/dbraw/zinc/16/81/18/569168118.db2.gz FLKYLSRBXMQJSA-UHFFFAOYSA-N 0 0 437.880 2.690 50 0 IFAARN C[C@@H]1CSc2ccccc2N(S(=O)(=O)c2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000089941249 569168335 /nfs/dbraw/zinc/16/83/35/569168335.db2.gz WTPWQBGTXOIFBJ-NSHDSACASA-N 0 0 432.976 2.925 50 0 IFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1=O ZINC000016973367 569168526 /nfs/dbraw/zinc/16/85/26/569168526.db2.gz ICCMDLIYLWIFMI-OAQYLSRUSA-N 0 0 446.507 2.882 50 0 IFAARN CCCCn1c2nc(-c3cc4c(c(Br)c3)OCO4)n(CC)c2c(=O)[nH]c1=O ZINC000089955465 569168780 /nfs/dbraw/zinc/16/87/80/569168780.db2.gz ALCXKDUIFBUIHZ-UHFFFAOYSA-N 0 0 435.278 2.865 50 0 IFAARN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C)no2)c(OC)c1 ZINC000089960386 569169135 /nfs/dbraw/zinc/16/91/35/569169135.db2.gz PUORCWLPQBBRAK-OAHLLOKOSA-N 0 0 443.547 2.669 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)NCc3ccco3)c12 ZINC000016993079 569169875 /nfs/dbraw/zinc/16/98/75/569169875.db2.gz IQTSDKXJDIJVAA-CQSZACIVSA-N 0 0 440.481 2.882 50 0 IFAARN CCOCCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000089987014 569170028 /nfs/dbraw/zinc/17/00/28/569170028.db2.gz LNBMKXDQBZXNLL-GOSISDBHSA-N 0 0 448.589 2.988 50 0 IFAARN COc1cn(CC(=O)NCCc2ccccc2)c(CSc2nc(C)cc(C)n2)cc1=O ZINC000017014018 569170853 /nfs/dbraw/zinc/17/08/53/569170853.db2.gz KYVBZWQMOJGLHD-UHFFFAOYSA-N 0 0 438.553 2.915 50 0 IFAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(N)=O)n2C)cc1C ZINC000017094493 569173045 /nfs/dbraw/zinc/17/30/45/569173045.db2.gz BMXLQUXGXFIGAM-UHFFFAOYSA-N 0 0 425.514 2.841 50 0 IFAARN O=C1Cc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc3c2N1CCC3 ZINC000017149982 569175036 /nfs/dbraw/zinc/17/50/36/569175036.db2.gz NSPILSWIVZRNBP-UHFFFAOYSA-N 0 0 431.945 2.686 50 0 IFAARN COC(=O)CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2ccccc2c1=O ZINC000017180588 569175669 /nfs/dbraw/zinc/17/56/69/569175669.db2.gz CBXLRTQUOGZLQA-UHFFFAOYSA-N 0 0 439.493 2.893 50 0 IFAARN COCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2OC)C1=O ZINC000002111123 569181976 /nfs/dbraw/zinc/18/19/76/569181976.db2.gz ORWVEHQFKJGYIK-RDPSFJRHSA-N 0 0 433.508 2.898 50 0 IFAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCOC)CC(=O)N12 ZINC000002111951 569182076 /nfs/dbraw/zinc/18/20/76/569182076.db2.gz WIVWELDCWZJQFR-GBXCKJPGSA-N 0 0 433.508 2.898 50 0 IFAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCO)CC(=O)N21 ZINC000002111919 569182095 /nfs/dbraw/zinc/18/20/95/569182095.db2.gz XBYFOTWCMIAKLK-RDPSFJRHSA-N 0 0 433.508 2.634 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccnc3Cl)CC2)c1 ZINC000014919923 569183360 /nfs/dbraw/zinc/18/33/60/569183360.db2.gz VOWQWEKMXDXYNG-MRXNPFEDSA-N 0 0 436.965 2.685 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccnc3Cl)CC2)c(C)c1 ZINC000014921497 569183552 /nfs/dbraw/zinc/18/35/52/569183552.db2.gz IDPCXVYUBDXAAE-MRXNPFEDSA-N 0 0 436.965 2.685 50 0 IFAARN CCCNC(=O)CCCC(=O)O[C@H]1CCCC[C@@H]1OC(=O)CCCC(=O)NCCC ZINC000252484496 569186370 /nfs/dbraw/zinc/18/63/70/569186370.db2.gz FXQCBKRNTGQMIR-ROUUACIJSA-N 0 0 426.554 2.777 50 0 IFAARN NS(=O)(=O)c1ccc(CCNc2ncncc2-c2nc(-c3ccccc3F)no2)cc1 ZINC000252491844 569187663 /nfs/dbraw/zinc/18/76/63/569187663.db2.gz LWXUGZPCZPUAQX-UHFFFAOYSA-N 0 0 440.460 2.635 50 0 IFAARN O=C(NCC1CCN(c2ncc(F)cn2)CC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000252503568 569188046 /nfs/dbraw/zinc/18/80/46/569188046.db2.gz VFKYJGLNAOLNPD-UHFFFAOYSA-N 0 0 425.386 2.606 50 0 IFAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCO[C@H](c2ccccc2)C1 ZINC000252523122 569189588 /nfs/dbraw/zinc/18/95/88/569189588.db2.gz BXKPNTSNIZNCMP-MOPGFXCFSA-N 0 0 427.888 2.955 50 0 IFAARN O=C(c1cncc(Br)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000252523037 569189606 /nfs/dbraw/zinc/18/96/06/569189606.db2.gz BRHGZSMIVOCUTE-UHFFFAOYSA-N 0 0 443.301 2.918 50 0 IFAARN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000252539450 569190114 /nfs/dbraw/zinc/19/01/14/569190114.db2.gz NZXOREWKYIFEQI-AWAHEQQVSA-N 0 0 440.632 2.879 50 0 IFAARN CC(C)(C)OC(=O)NC1CCN(C(=O)CC[C@H]2NC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000252540186 569190340 /nfs/dbraw/zinc/19/03/40/569190340.db2.gz OVNJLXFDSNNMSP-GOSISDBHSA-N 0 0 444.532 2.607 50 0 IFAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1CCSc2ccccc21 ZINC000027347373 569190852 /nfs/dbraw/zinc/19/08/52/569190852.db2.gz MSZUXZSZVCZXFU-UHFFFAOYSA-N 0 0 431.583 2.828 50 0 IFAARN COc1ccc(CCNC(=O)C[C@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000252552894 569191022 /nfs/dbraw/zinc/19/10/22/569191022.db2.gz VEUMCIOHQGZIIT-OAQYLSRUSA-N 0 0 434.496 2.593 50 0 IFAARN Cn1c2cc(S(=O)(=O)N3CC[C@H](Oc4cccc5cccnc54)C3)ccc2oc1=O ZINC000252572031 569191137 /nfs/dbraw/zinc/19/11/37/569191137.db2.gz YVAMXIHRBUHMRD-HNNXBMFYSA-N 0 0 425.466 2.522 50 0 IFAARN O=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CO[C@@H]2C=CC=C[C@H]2O1 ZINC000252585024 569191232 /nfs/dbraw/zinc/19/12/32/569191232.db2.gz FPKARSCPTNRBHY-KURKYZTESA-N 0 0 437.323 2.993 50 0 IFAARN CCOCCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(NC(=O)COC)cc2)n1 ZINC000037385171 569192378 /nfs/dbraw/zinc/19/23/78/569192378.db2.gz VGNAQFZDJKZRTO-UHFFFAOYSA-N 0 0 426.473 2.943 50 0 IFAARN COCCN(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)COC ZINC000037423118 569195625 /nfs/dbraw/zinc/19/56/25/569195625.db2.gz RQGMQKOJYCCNNH-UHFFFAOYSA-N 0 0 445.896 2.868 50 0 IFAARN O=C(CNC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1)NC[C@H]1CCCO1 ZINC000037425938 569195680 /nfs/dbraw/zinc/19/56/80/569195680.db2.gz ZJVDOTSNVPYYBB-CYBMUJFWSA-N 0 0 428.436 2.931 50 0 IFAARN COc1ccc(Nc2nc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)cs2)cc1 ZINC000037426010 569195772 /nfs/dbraw/zinc/19/57/72/569195772.db2.gz HTXRCCXBWARAPT-HNNXBMFYSA-N 0 0 430.530 2.606 50 0 IFAARN C[C@@H](C(=O)NCC1CC1)N1C(=O)COc2ccc(C(=O)COc3cccc(F)c3)cc21 ZINC000037511985 569197936 /nfs/dbraw/zinc/19/79/36/569197936.db2.gz CYHOBFPVMBXSIO-AWEZNQCLSA-N 0 0 426.444 2.728 50 0 IFAARN Cc1ccccc1OCC(=O)c1ccc2c(c1)N(CC(=O)NCc1ccncc1)C(=O)CO2 ZINC000037512010 569198027 /nfs/dbraw/zinc/19/80/27/569198027.db2.gz BLCDUFHAQGNSSJ-UHFFFAOYSA-N 0 0 445.475 2.694 50 0 IFAARN O=C(NC[C@H]1CCCO1)c1ccccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000037525408 569198966 /nfs/dbraw/zinc/19/89/66/569198966.db2.gz NKWVESBIBXNNFA-LJQANCHMSA-N 0 0 443.569 2.543 50 0 IFAARN Cc1ccccc1C(=O)Nc1nccnc1C(=O)NC1CCN(C(=O)C2CCCC2)CC1 ZINC000037576065 569201358 /nfs/dbraw/zinc/20/13/58/569201358.db2.gz XOSFYOLFDATREE-UHFFFAOYSA-N 0 0 435.528 2.948 50 0 IFAARN Cc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000037576018 569201363 /nfs/dbraw/zinc/20/13/63/569201363.db2.gz WHSNIEXIHWVTMX-UHFFFAOYSA-N 0 0 433.468 2.665 50 0 IFAARN Cc1ccccc1CN1CCCn2nc(C(=O)NCCC(=O)Nc3ccccc3)cc2C1=O ZINC000037578657 569201485 /nfs/dbraw/zinc/20/14/85/569201485.db2.gz SVHKJSCADAEXFO-UHFFFAOYSA-N 0 0 445.523 2.996 50 0 IFAARN CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1cccc2ccccc21 ZINC000241719790 569203578 /nfs/dbraw/zinc/20/35/78/569203578.db2.gz QPPZFMUEXZZDBD-WFGFEZODSA-N 0 0 435.476 2.923 50 0 IFAARN COc1ccccc1N1C[C@@H](C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC1=O ZINC000195529582 569204190 /nfs/dbraw/zinc/20/41/90/569204190.db2.gz QHQQLPBEIDVEQD-RXVVDRJESA-N 0 0 437.540 2.585 50 0 IFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccsc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252666123 569209603 /nfs/dbraw/zinc/20/96/03/569209603.db2.gz AOLOQUAMUKJSGU-SFHVURJKSA-N 0 0 428.510 2.999 50 0 IFAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccccc3F)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252676425 569210448 /nfs/dbraw/zinc/21/04/48/569210448.db2.gz XATLBWUBRVJJAV-HXUWFJFHSA-N 0 0 438.480 2.556 50 0 IFAARN COC(=O)c1ccc(C=c2sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1 ZINC000252680120 569210612 /nfs/dbraw/zinc/21/06/12/569210612.db2.gz WDCXDDJPQBQVKV-UHFFFAOYSA-N 0 0 442.294 2.915 50 0 IFAARN COc1ccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]32)cc1 ZINC000014945322 569256729 /nfs/dbraw/zinc/25/67/29/569256729.db2.gz ZGOYGPMYIGGZBU-XBTHPWMNSA-N 0 0 446.459 2.795 50 0 IFAARN COC(=O)C1=CN2c3ccccc3N(C)C(C(=O)OC)=C[C@@]2(C(C)C)C(C(=O)OC)=C1 ZINC000019909746 569257103 /nfs/dbraw/zinc/25/71/03/569257103.db2.gz GTYZCQSBCIISOS-HSZRJFAPSA-N 0 0 426.469 2.564 50 0 IFAARN O=C1CSC(=O)N1Cc1ccc2c(c1)C(=Cc1cc(CN3CCOCC3)c[nH]1)C(=O)N2 ZINC000113422876 569258796 /nfs/dbraw/zinc/25/87/96/569258796.db2.gz AREYWCZYVPSHGS-NVMNQCDNSA-N 0 0 438.509 2.535 50 0 IFAARN COc1ccc(OC)c(CN2CCN(S(=O)(=O)C[C@@H](C)COC3CCCC3)CC2)c1 ZINC000253392716 569264477 /nfs/dbraw/zinc/26/44/77/569264477.db2.gz VYCAKRIVBNWTOL-SFHVURJKSA-N 0 0 440.606 2.747 50 0 IFAARN C[C@H](C(=O)N(C)CC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)n1cccn1 ZINC000253395722 569264539 /nfs/dbraw/zinc/26/45/39/569264539.db2.gz GLFKHSPDYUHDJY-BPLDGKMQSA-N 0 0 437.313 2.867 50 0 IFAARN O=C(c1cnc(O[C@@H]2CCOC2)c(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000253404834 569265177 /nfs/dbraw/zinc/26/51/77/569265177.db2.gz RKSWSBIJQAMDGL-QGZVFWFLSA-N 0 0 445.903 2.589 50 0 IFAARN COc1ccc(/C=C/C(=O)NCCN2Cc3cc(Cl)ccc3OCC2=O)cc1OC ZINC000253475930 569282901 /nfs/dbraw/zinc/28/29/01/569282901.db2.gz ZVBSFAKHLKYIJN-XBXARRHUSA-N 0 0 430.888 2.908 50 0 IFAARN CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499815 569283333 /nfs/dbraw/zinc/28/33/33/569283333.db2.gz OTLJDTMBQKLRPK-ZWVDKIGKSA-N 0 0 448.556 2.715 50 0 IFAARN C[C@H](C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000253530309 569283830 /nfs/dbraw/zinc/28/38/30/569283830.db2.gz RGELPPVZRYDVAP-JHJVBQTASA-N 0 0 443.525 2.883 50 0 IFAARN COC(=O)C[C@H](c1coc2ccc(Cl)cc2c1=O)C1C(=O)NC=C(C(=O)OC)C1=O ZINC000253623987 569284538 /nfs/dbraw/zinc/28/45/38/569284538.db2.gz XVAHQEUYOQSTBD-SNVBAGLBSA-N 0 0 433.800 2.734 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252478933 569287940 /nfs/dbraw/zinc/28/79/40/569287940.db2.gz AXODCLCWOALDCX-SAZGQGMLSA-N 0 0 439.434 2.667 50 0 IFAARN CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc43)C2)[nH]1 ZINC000253410688 569288958 /nfs/dbraw/zinc/28/89/58/569288958.db2.gz NPFNUHFGFLLRRP-SECBINFHSA-N 0 0 432.282 2.559 50 0 IFAARN CCOC(=O)[C@H](CSCCCN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C ZINC000008873885 569291822 /nfs/dbraw/zinc/29/18/22/569291822.db2.gz WMSSBGGUKFINNY-INIZCTEOSA-N 0 0 436.530 2.862 50 0 IFAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)ccc1O ZINC000009440760 569296295 /nfs/dbraw/zinc/29/62/95/569296295.db2.gz MIXWGSOSMRXLIU-ZCRIDZFUSA-N 0 0 444.509 2.881 50 0 IFAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)OC)cc3)n2N)cc1 ZINC000002397072 569298522 /nfs/dbraw/zinc/29/85/22/569298522.db2.gz GWBKNANBACYEFG-UHFFFAOYSA-N 0 0 427.486 2.575 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(C)=O)cc2)cc1OC ZINC000011859861 569303131 /nfs/dbraw/zinc/30/31/31/569303131.db2.gz LUYSMPIWLNBQAS-SFHVURJKSA-N 0 0 432.498 2.698 50 0 IFAARN O=C(CON1C(=O)c2ccccc2C1=O)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 ZINC000012961335 569305462 /nfs/dbraw/zinc/30/54/62/569305462.db2.gz SMZNEMOZGZRKGT-QRQCRPRQSA-N 0 0 430.416 2.891 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000012991222 569305934 /nfs/dbraw/zinc/30/59/34/569305934.db2.gz WQWZDSBOCTYZAO-MAUKXSAKSA-N 0 0 444.981 2.833 50 0 IFAARN CCc1ccc([C@@H](C)NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000013038341 569307712 /nfs/dbraw/zinc/30/77/12/569307712.db2.gz SMYXQWFSCSUDFY-QGZVFWFLSA-N 0 0 433.549 2.572 50 0 IFAARN CC[C@H](C)N(C(=O)COC(=O)c1oc2ccccc2c1COC)[C@H]1CCS(=O)(=O)C1 ZINC000013039046 569307815 /nfs/dbraw/zinc/30/78/15/569307815.db2.gz SOYNFASOKJSPHE-GJZGRUSLSA-N 0 0 437.514 2.550 50 0 IFAARN CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000013038977 569307861 /nfs/dbraw/zinc/30/78/61/569307861.db2.gz VPVLHYXDFLTLDX-GOSISDBHSA-N 0 0 447.576 2.962 50 0 IFAARN C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccccc1Cl ZINC000013041135 569308179 /nfs/dbraw/zinc/30/81/79/569308179.db2.gz YTWZJGJUBFEYSK-OAHLLOKOSA-N 0 0 439.940 2.663 50 0 IFAARN CC1CCC(NC(=O)CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000013056414 569308284 /nfs/dbraw/zinc/30/82/84/569308284.db2.gz JUOAHBVWFLKXGO-UHFFFAOYSA-N 0 0 447.523 2.707 50 0 IFAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)COc2ccccc2CC)c(=O)[nH]c1=O ZINC000013072675 569309078 /nfs/dbraw/zinc/30/90/78/569309078.db2.gz REOMRMQSLORQBP-UHFFFAOYSA-N 0 0 430.549 2.939 50 0 IFAARN Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)c2C)no1 ZINC000013117090 569310849 /nfs/dbraw/zinc/31/08/49/569310849.db2.gz DZBUSSGGTQPSNP-QHCPKHFHSA-N 0 0 434.452 2.803 50 0 IFAARN NC(=O)C1CCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000013117730 569311035 /nfs/dbraw/zinc/31/10/35/569311035.db2.gz MWGCLYYVJNXAFP-UHFFFAOYSA-N 0 0 439.896 2.617 50 0 IFAARN COc1ccccc1C(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000013149449 569312270 /nfs/dbraw/zinc/31/22/70/569312270.db2.gz FQZVLOYAQKXLIK-UHFFFAOYSA-N 0 0 446.525 2.974 50 0 IFAARN C[C@@]1(C(=O)NCc2ccccc2)CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000013356545 569313665 /nfs/dbraw/zinc/31/36/65/569313665.db2.gz KJGLTQASFDUXJZ-HXUWFJFHSA-N 0 0 430.555 2.799 50 0 IFAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)NCc4ccccn4)C3)n2)cc1OC ZINC000013367189 569314380 /nfs/dbraw/zinc/31/43/80/569314380.db2.gz WBRWEPIDTHZWDT-KRWDZBQOSA-N 0 0 437.500 2.677 50 0 IFAARN Cn1ccnc1-c1cccc(NS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1 ZINC000328594488 569317613 /nfs/dbraw/zinc/31/76/13/569317613.db2.gz NWDULZWLZKICRU-UHFFFAOYSA-N 0 0 425.919 2.945 50 0 IFAARN Cc1ccc(-c2nnco2)cc1N1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000328595381 569317690 /nfs/dbraw/zinc/31/76/90/569317690.db2.gz SUSFDPUAZNDFDX-FQEVSTJZSA-N 0 0 426.454 2.625 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)cc1C ZINC000019312417 569317822 /nfs/dbraw/zinc/31/78/22/569317822.db2.gz VVGLIYADUJEMQP-UHFFFAOYSA-N 0 0 444.582 2.805 50 0 IFAARN C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O ZINC000019354027 569318849 /nfs/dbraw/zinc/31/88/49/569318849.db2.gz SBRAVKULPDOEPI-JOCHJYFZSA-N 0 0 426.423 2.572 50 0 IFAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000078752395 569318857 /nfs/dbraw/zinc/31/88/57/569318857.db2.gz DQBUDHYESZWPJZ-SFHVURJKSA-N 0 0 443.979 2.993 50 0 IFAARN CS(=O)(=O)[C@H]1CSCCN1C(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000078878719 569319960 /nfs/dbraw/zinc/31/99/60/569319960.db2.gz JPQSSBDYZVIIIZ-NRFANRHFSA-N 0 0 445.566 2.561 50 0 IFAARN CC[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)NC)cc1)c1ccccc1OC(F)F ZINC000078932334 569320235 /nfs/dbraw/zinc/32/02/35/569320235.db2.gz TVIVGPXGDVNGSG-MRXNPFEDSA-N 0 0 440.468 2.689 50 0 IFAARN COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000078933506 569320241 /nfs/dbraw/zinc/32/02/41/569320241.db2.gz OBZRYFWZUZPJEQ-PXNSSMCTSA-N 0 0 446.569 2.856 50 0 IFAARN O=C(NCCCCn1cnnc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000078933941 569320382 /nfs/dbraw/zinc/32/03/82/569320382.db2.gz NRWDYZDNTLWFOY-UHFFFAOYSA-N 0 0 439.969 2.706 50 0 IFAARN COc1ccc(C(=O)NCc2nc3cc(F)ccc3[nH]2)cc1S(=O)(=O)NC1CCCC1 ZINC000078963805 569320603 /nfs/dbraw/zinc/32/06/03/569320603.db2.gz ALEBBIJUCOATOU-UHFFFAOYSA-N 0 0 446.504 2.862 50 0 IFAARN O=C(NCC1(O)CCC2(CC1)OCCO2)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000078968595 569320755 /nfs/dbraw/zinc/32/07/55/569320755.db2.gz DKPHZOHBRNDEAP-INIZCTEOSA-N 0 0 429.300 2.651 50 0 IFAARN O=C(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)NC[C@@H]1CCCc2ccccc21 ZINC000078991139 569321439 /nfs/dbraw/zinc/32/14/39/569321439.db2.gz UJKXTNWXIVQIEL-IBGZPJMESA-N 0 0 442.519 2.958 50 0 IFAARN CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H](CO)Cc3ccc(Cl)cc3)ccc21 ZINC000078995343 569321586 /nfs/dbraw/zinc/32/15/86/569321586.db2.gz AFZKCYDHVBGMSH-MRXNPFEDSA-N 0 0 436.961 2.633 50 0 IFAARN C[C@H]1CCCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000078992504 569321591 /nfs/dbraw/zinc/32/15/91/569321591.db2.gz YSLYKFZVNATWSI-MAUKXSAKSA-N 0 0 444.532 2.504 50 0 IFAARN C[C@@H]1CCCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000078992496 569321638 /nfs/dbraw/zinc/32/16/38/569321638.db2.gz YSLYKFZVNATWSI-CRAIPNDOSA-N 0 0 444.532 2.504 50 0 IFAARN COc1ccc(NC(=O)CN2CCCN(Cc3nc([C@H](C)OC)no3)CC2)cc1Cl ZINC000079022022 569322494 /nfs/dbraw/zinc/32/24/94/569322494.db2.gz PGFFMUADLAWODJ-AWEZNQCLSA-N 0 0 437.928 2.585 50 0 IFAARN CCN1CCN(C(=O)Cc2ccc(NC(=O)/C=C/c3ccc(C(=O)OC)cc3)cc2)CC1 ZINC000079025386 569322831 /nfs/dbraw/zinc/32/28/31/569322831.db2.gz XRHULZJAIMAOFE-MDWZMJQESA-N 0 0 435.524 2.832 50 0 IFAARN O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(N2CCCCC2)cc1 ZINC000079058218 569323772 /nfs/dbraw/zinc/32/37/72/569323772.db2.gz UIZKVRDVCNHYLG-UHFFFAOYSA-N 0 0 429.484 2.606 50 0 IFAARN CC(C)[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccncc1 ZINC000079480809 569330845 /nfs/dbraw/zinc/33/08/45/569330845.db2.gz BVYOSNJEBBNPGR-FQEVSTJZSA-N 0 0 429.952 2.908 50 0 IFAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC ZINC000019868752 569331095 /nfs/dbraw/zinc/33/10/95/569331095.db2.gz RCSOCYINFYBETK-MRXNPFEDSA-N 0 0 438.571 2.525 50 0 IFAARN COc1cc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000079488549 569331098 /nfs/dbraw/zinc/33/10/98/569331098.db2.gz BFXHJSUVYIVXKW-INIZCTEOSA-N 0 0 442.516 2.571 50 0 IFAARN COc1ccc2cnn(CN3CCN(Cc4cccc(Cl)c4)CC3)c(=O)c2c1OC ZINC000079486543 569331116 /nfs/dbraw/zinc/33/11/16/569331116.db2.gz VDHKIUUXTIDAOW-UHFFFAOYSA-N 0 0 428.920 2.842 50 0 IFAARN Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000079494597 569331432 /nfs/dbraw/zinc/33/14/32/569331432.db2.gz PQPDFUBBXVELTN-AWEZNQCLSA-N 0 0 442.878 2.667 50 0 IFAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCC2)cc1Br ZINC000020068968 569333108 /nfs/dbraw/zinc/33/31/08/569333108.db2.gz DQPDXOMPBLNGMH-HUUCEWRRSA-N 0 0 438.351 2.739 50 0 IFAARN CCCCN1c2ccc(Br)cc2[C@@]2(SC(NC(C)=O)=NN2C(C)=O)C1=O ZINC000020069259 569333157 /nfs/dbraw/zinc/33/31/57/569333157.db2.gz PXUIMFULHWQMDS-QGZVFWFLSA-N 0 0 439.335 2.751 50 0 IFAARN C[C@@H](c1ccccc1)N1C(=O)N[C@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C1=O ZINC000020069865 569333257 /nfs/dbraw/zinc/33/32/57/569333257.db2.gz NEXVXENKHKWIIE-YVEFUNNKSA-N 0 0 427.404 2.537 50 0 IFAARN COCCCNC(=O)CCn1c(=O)c2ccccc2n(Cc2c(C)cc(C)cc2C)c1=O ZINC000020152891 569353419 /nfs/dbraw/zinc/35/34/19/569353419.db2.gz KSNDWONZFKQAED-UHFFFAOYSA-N 0 0 437.540 2.680 50 0 IFAARN COc1cccc([C@H](c2c([O-])[nH]c(=O)[nH]c2=O)[N@H+](Cc2ccccc2)C(C)C)c1OC ZINC000020156021 569353683 /nfs/dbraw/zinc/35/36/83/569353683.db2.gz YIWBPKPYPQNAAI-LJQANCHMSA-N 0 0 425.485 2.786 50 0 IFAARN O=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)c1cncc(Br)c1 ZINC000390827092 569353915 /nfs/dbraw/zinc/35/39/15/569353915.db2.gz DWHIRQPJYWMALI-UHFFFAOYSA-N 0 0 446.290 2.644 50 0 IFAARN COc1ccc(Br)c(C(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)c1 ZINC000390831513 569354435 /nfs/dbraw/zinc/35/44/35/569354435.db2.gz SGVXIEBNFWOPHE-UHFFFAOYSA-N 0 0 445.321 2.603 50 0 IFAARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21)N1CCC2(CC1)OCCO2 ZINC000020180761 569355131 /nfs/dbraw/zinc/35/51/31/569355131.db2.gz CETBOZFYLXVENF-QNGOZBTKSA-N 0 0 438.455 2.958 50 0 IFAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCCn2ccc3cc(F)ccc32)n1 ZINC000094993161 569355864 /nfs/dbraw/zinc/35/58/64/569355864.db2.gz CNZGVULTKABFFO-UHFFFAOYSA-N 0 0 438.434 2.968 50 0 IFAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214025 569356481 /nfs/dbraw/zinc/35/64/81/569356481.db2.gz QQJDQGZNEPRWQL-DNVCBOLYSA-N 0 0 449.935 2.786 50 0 IFAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000020215911 569356656 /nfs/dbraw/zinc/35/66/56/569356656.db2.gz QXQGQJDGHWWGKE-CYBMUJFWSA-N 0 0 446.451 2.965 50 0 IFAARN CCN(C(=O)CSc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N)c1cccc(C)c1 ZINC000020237686 569357451 /nfs/dbraw/zinc/35/74/51/569357451.db2.gz IJXQCIZNYAOCAR-UHFFFAOYSA-N 0 0 446.554 2.720 50 0 IFAARN Cc1cccc(CCNC(=O)[C@@H](NS(=O)(=O)c2cccc3nsnc32)C(C)C)c1 ZINC000020281012 569358720 /nfs/dbraw/zinc/35/87/20/569358720.db2.gz KDBRIUKZPWEBNR-SFHVURJKSA-N 0 0 432.571 2.662 50 0 IFAARN CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)NCc1ccc(Cl)cc1 ZINC000020281016 569358798 /nfs/dbraw/zinc/35/87/98/569358798.db2.gz YVKXIMYXPZJTRR-MRXNPFEDSA-N 0 0 438.962 2.964 50 0 IFAARN Cn1cccc1Cc1nnc(SCC(=O)NC[C@@H]2CCCO2)n1Cc1ccccc1 ZINC000020285927 569359053 /nfs/dbraw/zinc/35/90/53/569359053.db2.gz PUCJCWUOQFZDKU-IBGZPJMESA-N 0 0 425.558 2.643 50 0 IFAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1CCN1CCOCC1 ZINC000020308159 569359488 /nfs/dbraw/zinc/35/94/88/569359488.db2.gz IYUSYRRHKAZMBJ-LJQANCHMSA-N 0 0 425.872 2.719 50 0 IFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000020323347 569360359 /nfs/dbraw/zinc/36/03/59/569360359.db2.gz YXPCYDPEESOMCZ-IRXDYDNUSA-N 0 0 449.573 2.520 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020328449 569360658 /nfs/dbraw/zinc/36/06/58/569360658.db2.gz BOCRZCSYMIZTCU-IBGZPJMESA-N 0 0 432.473 2.779 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020328680 569360665 /nfs/dbraw/zinc/36/06/65/569360665.db2.gz MADVTBSILUBXBR-GOSISDBHSA-N 0 0 436.436 2.610 50 0 IFAARN CCCN(CCC)C(=O)CN1c2cc(S(=O)(=O)N(CC)CC)ccc2SCC1=O ZINC000020355652 569361421 /nfs/dbraw/zinc/36/14/21/569361421.db2.gz ASWSBYNMNWIGGG-UHFFFAOYSA-N 0 0 441.619 2.804 50 0 IFAARN NC(=O)c1c2c(sc1NC(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)CCC2 ZINC000095351144 569361990 /nfs/dbraw/zinc/36/19/90/569361990.db2.gz SJYGFYSMBWOIIM-UHFFFAOYSA-N 0 0 432.977 2.745 50 0 IFAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095351751 569362125 /nfs/dbraw/zinc/36/21/25/569362125.db2.gz ALKJEYNSWGETEL-OPYAIIAOSA-N 0 0 428.492 2.914 50 0 IFAARN C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1ccccn1 ZINC000080338322 569362556 /nfs/dbraw/zinc/36/25/56/569362556.db2.gz CNHAWJIGXYZUKA-CQSZACIVSA-N 0 0 436.343 2.925 50 0 IFAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000095392689 569363440 /nfs/dbraw/zinc/36/34/40/569363440.db2.gz UMNFVTPGVPUADC-UHFFFAOYSA-N 0 0 443.525 2.768 50 0 IFAARN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000095397011 569363547 /nfs/dbraw/zinc/36/35/47/569363547.db2.gz ZTHDIPAUUVCIBW-QGZVFWFLSA-N 0 0 449.960 2.897 50 0 IFAARN CCOC[C@@H](O)CN1CCN(C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)CC1 ZINC000095399140 569363633 /nfs/dbraw/zinc/36/36/33/569363633.db2.gz GNEFVABVYVWAOL-FQEVSTJZSA-N 0 0 427.549 2.605 50 0 IFAARN CCC(CC)[C@H](C(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1)N1CCOCC1 ZINC000095401838 569364064 /nfs/dbraw/zinc/36/40/64/569364064.db2.gz KPLPXUXJMCIJLL-JOCHJYFZSA-N 0 0 443.548 2.606 50 0 IFAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NCCCOC)c1C ZINC000020437194 569365559 /nfs/dbraw/zinc/36/55/59/569365559.db2.gz FVMGGLQBSURSOJ-UHFFFAOYSA-N 0 0 426.517 2.585 50 0 IFAARN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CCc2ccc(Br)cc21 ZINC000095421399 569365714 /nfs/dbraw/zinc/36/57/14/569365714.db2.gz HDNJKTLJCOGUQD-UHFFFAOYSA-N 0 0 443.345 2.862 50 0 IFAARN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C[S@](=O)Cc2ccc(Br)cc2)C1 ZINC000095435220 569366385 /nfs/dbraw/zinc/36/63/85/569366385.db2.gz UOTIAQRGCTWGER-QMTYFTJSSA-N 0 0 443.407 2.709 50 0 IFAARN Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)c3ccncc3Cl)C2)ccc1-n1cncn1 ZINC000095435120 569366490 /nfs/dbraw/zinc/36/64/90/569366490.db2.gz JXHUFZRAWCUBMR-INIZCTEOSA-N 0 0 438.919 2.906 50 0 IFAARN C[C@@H]1CCc2c(sc3ncnc(N[C@@H](Cc4ccccc4)C(=O)NCCC(N)=O)c32)C1 ZINC000095443208 569366826 /nfs/dbraw/zinc/36/68/26/569366826.db2.gz KIIUGZNGHBOIFD-PBHICJAKSA-N 0 0 437.569 2.831 50 0 IFAARN O=C(N[C@H]1CCCC[C@@H]1CO)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000095443384 569366902 /nfs/dbraw/zinc/36/69/02/569366902.db2.gz FGVWWODJKOEKSN-IRLDBZIGSA-N 0 0 430.570 2.908 50 0 IFAARN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCOc3ccccc32)c(OC)c1 ZINC000095445223 569367158 /nfs/dbraw/zinc/36/71/58/569367158.db2.gz PTKBTZCFXBOOFX-INIZCTEOSA-N 0 0 440.543 2.649 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(F)cc4cccnc43)CC2)cc1 ZINC000095453234 569368072 /nfs/dbraw/zinc/36/80/72/569368072.db2.gz WIPRJNNRNIVLNN-UHFFFAOYSA-N 0 0 429.473 2.529 50 0 IFAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000095454262 569368357 /nfs/dbraw/zinc/36/83/57/569368357.db2.gz HVDCDJCKPDYVPI-LBPRGKRZSA-N 0 0 442.946 2.506 50 0 IFAARN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC000095454649 569368422 /nfs/dbraw/zinc/36/84/22/569368422.db2.gz LSTGZMIGYBXFES-UKRRQHHQSA-N 0 0 426.510 2.733 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000095458926 569369307 /nfs/dbraw/zinc/36/93/07/569369307.db2.gz FJCFMAMTIPBOMB-FQEVSTJZSA-N 0 0 448.589 2.590 50 0 IFAARN NC(=O)c1cc(OC2CCN(C(=O)Cc3csc(Cc4ccccc4)n3)CC2)ccn1 ZINC000095459289 569369346 /nfs/dbraw/zinc/36/93/46/569369346.db2.gz SJJSNYGKHDJHFI-UHFFFAOYSA-N 0 0 436.537 2.840 50 0 IFAARN O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000095459229 569369403 /nfs/dbraw/zinc/36/94/03/569369403.db2.gz BCZWGPYRCXINJL-OALUTQOASA-N 0 0 435.446 2.981 50 0 IFAARN CC(C)CN(C[C@H](O)c1ccc(F)cc1)S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000095461937 569370027 /nfs/dbraw/zinc/37/00/27/569370027.db2.gz HSGJDUTUEMVMOF-FQEVSTJZSA-N 0 0 425.526 2.754 50 0 IFAARN COC(=O)c1csc(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000095464151 569370545 /nfs/dbraw/zinc/37/05/45/569370545.db2.gz IWYSPCDOKSUKFJ-UHFFFAOYSA-N 0 0 436.433 2.779 50 0 IFAARN CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@@H]3CCCN3[C@]13c1ccccc1N(C)C3=O)OCO2 ZINC000020514114 569370562 /nfs/dbraw/zinc/37/05/62/569370562.db2.gz AWAFIPLVXXYVMS-NNSISHGFSA-N 0 0 447.491 2.913 50 0 IFAARN C[C@H](NC(=O)c1cc(Br)ncc1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000095465182 569370672 /nfs/dbraw/zinc/37/06/72/569370672.db2.gz IDHUUBZADJXEDO-JTQLQIEISA-N 0 0 430.299 2.725 50 0 IFAARN COCC[C@@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1)c1ccc(C)o1 ZINC000095465960 569370809 /nfs/dbraw/zinc/37/08/09/569370809.db2.gz LAUGBKKHTMNPKZ-MSOLQXFVSA-N 0 0 440.587 2.882 50 0 IFAARN CN(C)c1ncc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cn1 ZINC000095468537 569371405 /nfs/dbraw/zinc/37/14/05/569371405.db2.gz AXTQVDMZFGRIJG-UHFFFAOYSA-N 0 0 443.504 2.755 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCCCCC4)C3)cc2C[C@H]1C ZINC000020529242 569371728 /nfs/dbraw/zinc/37/17/28/569371728.db2.gz MUUXPLVQQZLZBC-IEBWSBKVSA-N 0 0 447.601 2.787 50 0 IFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)c2cc(Cl)ccc2N(C)C1=O ZINC000095472103 569372132 /nfs/dbraw/zinc/37/21/32/569372132.db2.gz BGSKGSILFZDUST-FQEVSTJZSA-N 0 0 434.847 2.755 50 0 IFAARN COc1ccc(CCc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)[nH]2)cc1OC ZINC000095473384 569372310 /nfs/dbraw/zinc/37/23/10/569372310.db2.gz ZLIKGXWQSBBAKK-INIZCTEOSA-N 0 0 435.484 2.599 50 0 IFAARN COc1ccccc1N1CCN(C(=O)[C@@H](CCSC)Nc2nc(C)cc(C)n2)CC1 ZINC000095473374 569372376 /nfs/dbraw/zinc/37/23/76/569372376.db2.gz ZGLPPFPSIMUEBD-GOSISDBHSA-N 0 0 429.590 2.984 50 0 IFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095475642 569372760 /nfs/dbraw/zinc/37/27/60/569372760.db2.gz RPUSFIQCDSBMLH-INIZCTEOSA-N 0 0 447.417 2.539 50 0 IFAARN O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095476541 569373084 /nfs/dbraw/zinc/37/30/84/569373084.db2.gz KJNUKRFRSXBLNO-QMZDIEEXSA-N 0 0 446.551 2.602 50 0 IFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3cnc4cc(OC)ccc4c3)C2=O)cc1 ZINC000095476659 569373105 /nfs/dbraw/zinc/37/31/05/569373105.db2.gz GDASMEXQOGZEFV-FQEVSTJZSA-N 0 0 434.452 2.906 50 0 IFAARN COc1ccc([C@@H]2[C@H](C(=O)NCCc3c[nH]cn3)c3ccccc3C(=O)N2C)cc1OC ZINC000095478923 569373666 /nfs/dbraw/zinc/37/36/66/569373666.db2.gz NYPGTDDIHZHTMF-FGZHOGPDSA-N 0 0 434.496 2.696 50 0 IFAARN O=C(NCCc1cscn1)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000095939833 569375271 /nfs/dbraw/zinc/37/52/71/569375271.db2.gz SQPZMLQZHKLEPC-DEOSSOPVSA-N 0 0 446.532 2.981 50 0 IFAARN Cn1c(CCNC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)nnc1-c1ccccc1 ZINC000095943986 569375702 /nfs/dbraw/zinc/37/57/02/569375702.db2.gz SSSUCGLSLCKQFV-IBGZPJMESA-N 0 0 435.503 2.832 50 0 IFAARN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccccc1N1CCCCC1 ZINC000095945420 569375928 /nfs/dbraw/zinc/37/59/28/569375928.db2.gz REXZZNRDRRFJNH-QGZVFWFLSA-N 0 0 440.569 2.763 50 0 IFAARN Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)n1 ZINC000095946538 569376041 /nfs/dbraw/zinc/37/60/41/569376041.db2.gz WEEFPSHJWPGPLV-OAHLLOKOSA-N 0 0 431.514 2.894 50 0 IFAARN Cc1ccc(C2=NC3(CCN(CC(=O)NCc4ccc(Cl)cc4)CC3)NC2=O)cc1C ZINC000021089555 569376058 /nfs/dbraw/zinc/37/60/58/569376058.db2.gz KTGCNZGBPIWNRM-UHFFFAOYSA-N 0 0 438.959 2.984 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)OCCC(F)(F)F)CC2)cc1OC ZINC000095946664 569376322 /nfs/dbraw/zinc/37/63/22/569376322.db2.gz KVDHZUHSYHAYAA-UHFFFAOYSA-N 0 0 425.425 2.600 50 0 IFAARN CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@H](CC(C)C)N3CCCCC3=O)cc2)CC1 ZINC000095991545 569378188 /nfs/dbraw/zinc/37/81/88/569378188.db2.gz SZAQIBOXWJVZBI-JOCHJYFZSA-N 0 0 428.577 2.716 50 0 IFAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1C ZINC000095997216 569378909 /nfs/dbraw/zinc/37/89/09/569378909.db2.gz MUKSKHQIQPVCJG-QFIPXVFZSA-N 0 0 429.524 2.951 50 0 IFAARN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000095997693 569379115 /nfs/dbraw/zinc/37/91/15/569379115.db2.gz FMXVLKCUFAATLU-DLBZAZTESA-N 0 0 425.470 2.559 50 0 IFAARN CO[C@H]1CCN(c2cc(C(F)(F)F)nc3ncnn32)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000096005722 569379373 /nfs/dbraw/zinc/37/93/73/569379373.db2.gz LPDJPVGLTUFRRF-RYUDHWBXSA-N 0 0 430.431 2.652 50 0 IFAARN O=c1[nH]c2cc(S(=O)(=O)Nc3ccc4c(c3)C(=O)N3CCCC[C@H]3CCO4)ccc2o1 ZINC000096025911 569380790 /nfs/dbraw/zinc/38/07/90/569380790.db2.gz YKIWXZKPKQAJMO-AWEZNQCLSA-N 0 0 443.481 2.699 50 0 IFAARN Cn1nc(-c2ccccc2)cc1C(=O)NCCn1nc(-c2cccs2)n(C2CC2)c1=O ZINC000096096623 569381237 /nfs/dbraw/zinc/38/12/37/569381237.db2.gz JGOXEBMCWRONHN-UHFFFAOYSA-N 0 0 434.525 2.939 50 0 IFAARN O=C(CCn1cnc2ccccc2c1=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 ZINC000096096382 569381246 /nfs/dbraw/zinc/38/12/46/569381246.db2.gz JFESOYZPZJRNHA-UHFFFAOYSA-N 0 0 449.492 2.673 50 0 IFAARN COc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000096105227 569382256 /nfs/dbraw/zinc/38/22/56/569382256.db2.gz ZQWXFISLIXZFGX-UHFFFAOYSA-N 0 0 447.421 2.940 50 0 IFAARN O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)NC(=O)N(Cc1ccccc1Cl)C2=O ZINC000096105321 569382346 /nfs/dbraw/zinc/38/23/46/569382346.db2.gz DSFHKQJIUJCANF-UHFFFAOYSA-N 0 0 441.871 2.796 50 0 IFAARN CC(C)Cn1cnc2ccc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)cc2c1=O ZINC000096115776 569383432 /nfs/dbraw/zinc/38/34/32/569383432.db2.gz KDMMBZGTNRGJPP-HXUWFJFHSA-N 0 0 447.495 2.522 50 0 IFAARN COc1cccc(-c2ccc(=O)n(CC(=O)N[C@@H](CC(C)C)c3nnc4ccccn43)n2)c1 ZINC000096117200 569384153 /nfs/dbraw/zinc/38/41/53/569384153.db2.gz FTQGYCMTQVAHRC-FQEVSTJZSA-N 0 0 446.511 2.865 50 0 IFAARN Cc1noc(C)c1CC(=O)Nc1nc(C(=O)N2CCN(c3ccccc3F)CC2)co1 ZINC000096119006 569384538 /nfs/dbraw/zinc/38/45/38/569384538.db2.gz FFUNKQIHCIUFNP-UHFFFAOYSA-N 0 0 427.436 2.562 50 0 IFAARN COc1ccc(-c2ccc(S(=O)(=O)N3CC(S(=O)(=O)Cc4ccco4)C3)cc2)cc1 ZINC000096122144 569385122 /nfs/dbraw/zinc/38/51/22/569385122.db2.gz SCAMYYHEJJGTHC-UHFFFAOYSA-N 0 0 447.534 2.943 50 0 IFAARN O=C(NCc1csc(-c2ccccc2)n1)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 ZINC000096123994 569385274 /nfs/dbraw/zinc/38/52/74/569385274.db2.gz KEOQVTHHXXFBLV-QGZVFWFLSA-N 0 0 446.540 2.714 50 0 IFAARN Cc1cc(NC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)ccc1Br ZINC000096124179 569385528 /nfs/dbraw/zinc/38/55/28/569385528.db2.gz XXYBOKGCCJNANF-UHFFFAOYSA-N 0 0 442.321 2.983 50 0 IFAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1 ZINC000096126925 569385697 /nfs/dbraw/zinc/38/56/97/569385697.db2.gz REJYUQIJEIDJRE-NRFANRHFSA-N 0 0 449.507 2.846 50 0 IFAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000096143183 569385896 /nfs/dbraw/zinc/38/58/96/569385896.db2.gz FXNNQGVGGYQOCH-QFIPXVFZSA-N 0 0 431.939 2.913 50 0 IFAARN CSCC[C@@H]1NC(=O)c2cc(NC(=O)c3cc(=O)[nH]c4ccccc43)ccc2NC1=O ZINC000096221165 569386851 /nfs/dbraw/zinc/38/68/51/569386851.db2.gz YUWYAMNPLZTYIQ-SFHVURJKSA-N 0 0 436.493 2.584 50 0 IFAARN Cn1c(CCCCCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 ZINC000096221995 569387008 /nfs/dbraw/zinc/38/70/08/569387008.db2.gz MOTUZWGZPKTDRV-IBGZPJMESA-N 0 0 433.512 2.543 50 0 IFAARN COc1ccccc1Oc1nc(N2CCN(C)CC2)nc2c1CN(Cc1cccn1C)CC2 ZINC000096281843 569390176 /nfs/dbraw/zinc/39/01/76/569390176.db2.gz OTTYACMBVMEEFU-UHFFFAOYSA-N 0 0 448.571 2.926 50 0 IFAARN O=C(c1c(F)cccc1F)N1CCc2nc(N3CCOCC3)nc(N3CCCCC3)c2C1 ZINC000096281875 569390182 /nfs/dbraw/zinc/39/01/82/569390182.db2.gz RQGNFECSYUFWHE-UHFFFAOYSA-N 0 0 443.498 2.780 50 0 IFAARN COCCN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)COCc1ccccc1 ZINC000096292196 569391271 /nfs/dbraw/zinc/39/12/71/569391271.db2.gz CKPCQNGWJMFABO-UHFFFAOYSA-N 0 0 439.468 2.700 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1c2sc(=O)[nH]c2SC[C@]1(C)C(N)=O ZINC000096306079 569392171 /nfs/dbraw/zinc/39/21/71/569392171.db2.gz JBIZMGMZXRGJME-XCLFUZPHSA-N 0 0 444.538 2.528 50 0 IFAARN CCN1CCN(C(=O)Cn2c3ccc(C)cc3c(=O)n(-c3ccc(C(C)C)cc3)c2=O)CC1 ZINC000096318154 569393752 /nfs/dbraw/zinc/39/37/52/569393752.db2.gz LLHCFGGSBFKBEB-UHFFFAOYSA-N 0 0 448.567 2.748 50 0 IFAARN CCOc1ccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)NCc3cccnc3)c2=O)cc1 ZINC000096318210 569393757 /nfs/dbraw/zinc/39/37/57/569393757.db2.gz GXRLJSQHQMPCBB-UHFFFAOYSA-N 0 0 444.491 2.571 50 0 IFAARN COc1ccc(Cl)cc1NC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCOCC2)c1C ZINC000096320052 569393959 /nfs/dbraw/zinc/39/39/59/569393959.db2.gz WGVYPTPQZSIUEU-UHFFFAOYSA-N 0 0 427.910 2.567 50 0 IFAARN O=C1C[C@H](c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CN1C1CCCC1 ZINC000096321987 569394305 /nfs/dbraw/zinc/39/43/05/569394305.db2.gz FGICJFRIDZVWHL-INIZCTEOSA-N 0 0 430.530 2.780 50 0 IFAARN O=c1oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc2n1Cc1noc(C2CC2)n1 ZINC000096322150 569394340 /nfs/dbraw/zinc/39/43/40/569394340.db2.gz FIUPIKJIWXEGSM-UHFFFAOYSA-N 0 0 438.465 2.655 50 0 IFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C2CC2)n1 ZINC000096322138 569394381 /nfs/dbraw/zinc/39/43/81/569394381.db2.gz WCSOPPUQJTZUDS-UHFFFAOYSA-N 0 0 440.481 2.724 50 0 IFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)NCCC4=CCCCC4)cc3oc2=O)no1 ZINC000096322088 569394403 /nfs/dbraw/zinc/39/44/03/569394403.db2.gz CNHQMTKYWPFTCN-UHFFFAOYSA-N 0 0 432.502 2.757 50 0 IFAARN CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C2CC2)n1 ZINC000096322153 569394408 /nfs/dbraw/zinc/39/44/08/569394408.db2.gz ZFBUEMYISSLCMI-UHFFFAOYSA-N 0 0 432.502 2.856 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000096323415 569395206 /nfs/dbraw/zinc/39/52/06/569395206.db2.gz MMUREOMOJFJSCE-UHFFFAOYSA-N 0 0 426.489 2.506 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000096323414 569395247 /nfs/dbraw/zinc/39/52/47/569395247.db2.gz WIKSUFNDLQFYEV-UHFFFAOYSA-N 0 0 426.489 2.506 50 0 IFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000096323420 569395250 /nfs/dbraw/zinc/39/52/50/569395250.db2.gz MRPHHJPWJPQXAG-UHFFFAOYSA-N 0 0 426.489 2.506 50 0 IFAARN CCOc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)cc1OCC ZINC000096324862 569396193 /nfs/dbraw/zinc/39/61/93/569396193.db2.gz RJDAHRVBQRIWTP-UHFFFAOYSA-N 0 0 449.511 2.867 50 0 IFAARN CC[C@H](C)[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000096332502 569396552 /nfs/dbraw/zinc/39/65/52/569396552.db2.gz NFCZIAOJQXXWIO-DJJJIMSYSA-N 0 0 440.500 2.794 50 0 IFAARN COc1cccc(CNC(=O)Cn2c3cccnc3n(-c3ccc(F)cc3)c2=O)c1OC ZINC000096385685 569398278 /nfs/dbraw/zinc/39/82/78/569398278.db2.gz CNHDKDNGYNNKOK-UHFFFAOYSA-N 0 0 436.443 2.660 50 0 IFAARN COc1ccc(CNC(=O)Cn2c3cccnc3n(-c3ccc(C)cc3)c2=O)cc1OC ZINC000096385578 569398307 /nfs/dbraw/zinc/39/83/07/569398307.db2.gz KXHIUKBUOLLWRP-UHFFFAOYSA-N 0 0 432.480 2.829 50 0 IFAARN O=C(Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000096385791 569398326 /nfs/dbraw/zinc/39/83/26/569398326.db2.gz ZSQNXVRRRNAYKE-UHFFFAOYSA-N 0 0 447.470 2.802 50 0 IFAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(c4cnc5nccnc5c4)C3)CC2)c1 ZINC000096387225 569398866 /nfs/dbraw/zinc/39/88/66/569398866.db2.gz PJDQKWNZTCGWSP-SFHVURJKSA-N 0 0 432.528 2.599 50 0 IFAARN CCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1=O ZINC000096396681 569399064 /nfs/dbraw/zinc/39/90/64/569399064.db2.gz OMHSRBYXAJNUHP-UHFFFAOYSA-N 0 0 447.948 2.893 50 0 IFAARN Cc1oc(C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nc1C(=O)N1CCOCC1 ZINC000096397165 569399464 /nfs/dbraw/zinc/39/94/64/569399464.db2.gz CTNJJQKWUJRMCV-UHFFFAOYSA-N 0 0 447.557 2.641 50 0 IFAARN Cc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC000021713174 569400247 /nfs/dbraw/zinc/40/02/47/569400247.db2.gz LQRSVPZMQKTKBS-IBGZPJMESA-N 0 0 427.526 2.679 50 0 IFAARN CCOC(=O)[C@@H](Cc1ccc(OC)c(OC)c1)NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000096594043 569402044 /nfs/dbraw/zinc/40/20/44/569402044.db2.gz GOUFXPQHPGKGJT-QGZVFWFLSA-N 0 0 431.485 2.554 50 0 IFAARN Cc1cc(N2CCN(S(=O)(=O)c3ccc(Br)c(C)c3)CC2)nc(C)n1 ZINC000097131274 569403074 /nfs/dbraw/zinc/40/30/74/569403074.db2.gz WMZZKMRTFFCDBE-UHFFFAOYSA-N 0 0 425.352 2.675 50 0 IFAARN COc1cc([C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc(OC)c1OC ZINC000670416171 569403104 /nfs/dbraw/zinc/40/31/04/569403104.db2.gz VJYACQPNCKGJQP-AWEZNQCLSA-N 0 0 428.489 2.918 50 0 IFAARN COc1ccc([C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)c(OC)c1OC ZINC000670416138 569403107 /nfs/dbraw/zinc/40/31/07/569403107.db2.gz QAPXTYOKQRDQFL-AWEZNQCLSA-N 0 0 428.489 2.918 50 0 IFAARN CSc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(C[C@@H]3CCCO3)c2=O)c1 ZINC000002467808 569403951 /nfs/dbraw/zinc/40/39/51/569403951.db2.gz YZDCPBFNZIWPLL-INIZCTEOSA-N 0 0 425.510 2.703 50 0 IFAARN Cc1ccccc1-n1c(CC2CCN(C(=O)c3ccc4nsnc4c3)CC2)n[nH]c1=O ZINC000225548915 569404144 /nfs/dbraw/zinc/40/41/44/569404144.db2.gz UFWNDKXEMPNZJC-UHFFFAOYSA-N 0 0 434.525 2.969 50 0 IFAARN COC(=O)c1ccc(C(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)[nH]n3)CC2)cc1 ZINC000225563359 569404508 /nfs/dbraw/zinc/40/45/08/569404508.db2.gz PRTJVAVCTXFTEG-UHFFFAOYSA-N 0 0 438.406 2.508 50 0 IFAARN O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2cc(C(=O)NCc3ccco3)[nH]n2)CC1 ZINC000225560809 569404529 /nfs/dbraw/zinc/40/45/29/569404529.db2.gz NCTNCNYFLNOIBK-UHFFFAOYSA-N 0 0 436.468 2.610 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)[nH]n3)CC2)s1 ZINC000225565006 569404607 /nfs/dbraw/zinc/40/46/07/569404607.db2.gz WVWCAOOPROWFNX-UHFFFAOYSA-N 0 0 436.481 2.640 50 0 IFAARN COc1ccc(N2C(=O)CN(C3CCCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000055408679 569404714 /nfs/dbraw/zinc/40/47/14/569404714.db2.gz OAICUUDHJRMJRG-ZWKOTPCHSA-N 0 0 426.966 2.886 50 0 IFAARN CC(C)c1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000055408740 569404760 /nfs/dbraw/zinc/40/47/60/569404760.db2.gz WXXBFGHVALZYOQ-VQTJNVASSA-N 0 0 442.537 2.553 50 0 IFAARN Cc1nc(-c2ccc(S(=O)(=O)N[C@H](CN3C(=O)COC3=O)c3ccccc3)cc2)co1 ZINC000225639071 569406346 /nfs/dbraw/zinc/40/63/46/569406346.db2.gz GXKFCPJBBCZAJQ-GOSISDBHSA-N 0 0 441.465 2.648 50 0 IFAARN O=C(CCc1cc(Br)ccc1OC(F)F)N1CC(N2C(=O)CSC2=O)C1 ZINC000225695418 569407371 /nfs/dbraw/zinc/40/73/71/569407371.db2.gz KHYACEMHNNCTDW-UHFFFAOYSA-N 0 0 449.273 2.889 50 0 IFAARN CCn1cc(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)c(=O)c2ccc(C)nc21 ZINC000225735687 569407846 /nfs/dbraw/zinc/40/78/46/569407846.db2.gz YLRLVIIZDUVSNI-UHFFFAOYSA-N 0 0 446.555 2.792 50 0 IFAARN O=C(CSCc1ccccc1)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 ZINC000225761283 569408291 /nfs/dbraw/zinc/40/82/91/569408291.db2.gz XEIJDPKUGAKXET-UHFFFAOYSA-N 0 0 427.501 2.926 50 0 IFAARN O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000002620565 569411069 /nfs/dbraw/zinc/41/10/69/569411069.db2.gz FQVMWYMAUFIXEN-UHFFFAOYSA-N 0 0 437.562 2.637 50 0 IFAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)NC(=O)NC1CCCCC1 ZINC000002624143 569411485 /nfs/dbraw/zinc/41/14/85/569411485.db2.gz MTLUCCDYRHQDDN-CQSZACIVSA-N 0 0 432.546 2.855 50 0 IFAARN COCCNC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000002624134 569411567 /nfs/dbraw/zinc/41/15/67/569411567.db2.gz SSWODUCMENRNJH-UHFFFAOYSA-N 0 0 426.498 2.577 50 0 IFAARN Cc1cc(C)n2c(nnc2SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)n1 ZINC000002627181 569411931 /nfs/dbraw/zinc/41/19/31/569411931.db2.gz PPFDNVAHNVPQOR-SECBINFHSA-N 0 0 430.559 2.757 50 0 IFAARN COCCCN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000002640680 569413658 /nfs/dbraw/zinc/41/36/58/569413658.db2.gz XMVZNRMYQHMMLO-UHFFFAOYSA-N 0 0 442.940 2.865 50 0 IFAARN CC(C)CN(C(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000002660295 569416062 /nfs/dbraw/zinc/41/60/62/569416062.db2.gz PDVSJFLFONBEFJ-GOEBONIOSA-N 0 0 427.588 2.701 50 0 IFAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@H]1CCCc2ccccc21 ZINC000028643993 569416614 /nfs/dbraw/zinc/41/66/14/569416614.db2.gz ZTXQMUAETZXQRX-KXBFYZLASA-N 0 0 430.526 2.709 50 0 IFAARN COCCn1c(Cc2cccn2C)nnc1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000002713854 569417886 /nfs/dbraw/zinc/41/78/86/569417886.db2.gz YDAXQDSULIHOOF-UHFFFAOYSA-N 0 0 442.545 2.543 50 0 IFAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCCC3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000230044023 569418876 /nfs/dbraw/zinc/41/88/76/569418876.db2.gz JDQBELHAACIHED-SFTDATJTSA-N 0 0 432.517 2.861 50 0 IFAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000230059567 569419671 /nfs/dbraw/zinc/41/96/71/569419671.db2.gz MAFUZSHVZRATHQ-CVEARBPZSA-N 0 0 444.340 2.871 50 0 IFAARN Cc1nc2sc3c(c2c(=O)n1NC(=O)c1c(Br)cnn1C)CC[C@H](C)C3 ZINC000002778156 569421018 /nfs/dbraw/zinc/42/10/18/569421018.db2.gz ORBUVXJZICKCOY-QMMMGPOBSA-N 0 0 436.335 2.771 50 0 IFAARN CCn1cc(NC(=O)[C@H](C)n2cc(Br)c(C)n2)c(C(=O)NCc2ccco2)n1 ZINC000002792545 569421868 /nfs/dbraw/zinc/42/18/68/569421868.db2.gz GAUIQFXCLUOFJJ-LBPRGKRZSA-N 0 0 449.309 2.893 50 0 IFAARN CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(F)c(F)cc(F)c3F)C2)c(C)n1 ZINC000002802671 569422383 /nfs/dbraw/zinc/42/23/83/569422383.db2.gz CFVOXFOGHBTSOU-NSHDSACASA-N 0 0 448.442 2.807 50 0 IFAARN Cc1nn(CCCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)c(C)c1Br ZINC000002803540 569422530 /nfs/dbraw/zinc/42/25/30/569422530.db2.gz DCNCRSDKEAAOBI-UHFFFAOYSA-N 0 0 440.314 2.839 50 0 IFAARN COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000056906487 569427565 /nfs/dbraw/zinc/42/75/65/569427565.db2.gz KFBYDHBXHVWPEU-UHFFFAOYSA-N 0 0 435.322 2.991 50 0 IFAARN C[C@H](C(=O)NCCOc1ccc(-c2ccccn2)nn1)n1nc(-c2cccs2)ccc1=O ZINC000056908258 569427645 /nfs/dbraw/zinc/42/76/45/569427645.db2.gz LRLDINZBMUCULJ-OAHLLOKOSA-N 0 0 448.508 2.580 50 0 IFAARN CC[C@@H](C(=O)N1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1)c1ccccc1 ZINC000056907963 569427650 /nfs/dbraw/zinc/42/76/50/569427650.db2.gz CEYWRIHEPXUEBU-NHCUHLMSSA-N 0 0 444.601 2.702 50 0 IFAARN O=C(COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O)N1CCCC1 ZINC000056949770 569428301 /nfs/dbraw/zinc/42/83/01/569428301.db2.gz VIYGOMJXLZVGMZ-UHFFFAOYSA-N 0 0 431.920 2.617 50 0 IFAARN COc1ccc(C)cc1NC(=O)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000056997916 569428972 /nfs/dbraw/zinc/42/89/72/569428972.db2.gz WLMXUEQWCOAUDF-UHFFFAOYSA-N 0 0 430.936 2.534 50 0 IFAARN COc1ccc(N2C(=O)CN(CCCc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000056998167 569429113 /nfs/dbraw/zinc/42/91/13/569429113.db2.gz ZGNYLZDVHVDOIU-UXHICEINSA-N 0 0 448.972 2.796 50 0 IFAARN COc1ccc([C@@H](CNC(=O)NCCOc2cccc(C)c2)N2CCOCC2)cc1OC ZINC000029338470 569429723 /nfs/dbraw/zinc/42/97/23/569429723.db2.gz DSJODKWNWQRTLZ-OAQYLSRUSA-N 0 0 443.544 2.764 50 0 IFAARN CCc1sc2nc(N3CCN(CC(=O)Nc4ccccc4)CC3)n3ncnc3c2c1C ZINC000057151554 569429938 /nfs/dbraw/zinc/42/99/38/569429938.db2.gz ATLPWCFMLWEBDW-UHFFFAOYSA-N 0 0 435.557 2.971 50 0 IFAARN CC(=O)c1c(C)[nH]c(C(=O)CN2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C ZINC000057292138 569430439 /nfs/dbraw/zinc/43/04/39/569430439.db2.gz JHXBMTKEHLPJHH-UHFFFAOYSA-N 0 0 431.558 2.722 50 0 IFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](C)c1ccccc1Cl ZINC000057312332 569430838 /nfs/dbraw/zinc/43/08/38/569430838.db2.gz UDEKJDMJOIYCGF-ZDUSSCGKSA-N 0 0 425.938 2.888 50 0 IFAARN CN(C(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1C(=O)NCc1ccco1 ZINC000057327397 569431180 /nfs/dbraw/zinc/43/11/80/569431180.db2.gz ZVNYZZUMTDCCQZ-UHFFFAOYSA-N 0 0 432.524 2.995 50 0 IFAARN O=C(NC1CCCCCC1)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000002952682 569432259 /nfs/dbraw/zinc/43/22/59/569432259.db2.gz RGBYUFLYNIPVBD-UHFFFAOYSA-N 0 0 435.480 2.919 50 0 IFAARN COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)NC4CCCC4)ccc3c2=O)cc1OC ZINC000002952780 569432307 /nfs/dbraw/zinc/43/23/07/569432307.db2.gz WTMKSQGOYRAGDO-UHFFFAOYSA-N 0 0 437.496 2.622 50 0 IFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1CCCN(c2cnccn2)C1 ZINC000029782244 569433339 /nfs/dbraw/zinc/43/33/39/569433339.db2.gz ZDPHCUPFQBRGMN-GOSISDBHSA-N 0 0 443.573 2.896 50 0 IFAARN CCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(Br)c3)c2=O)cc1 ZINC000002973231 569433489 /nfs/dbraw/zinc/43/34/89/569433489.db2.gz OMRLVXRXGZOOIE-UHFFFAOYSA-N 0 0 430.258 2.939 50 0 IFAARN COC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057414295 569433849 /nfs/dbraw/zinc/43/38/49/569433849.db2.gz LQUMCSSNWJFULE-NRFANRHFSA-N 0 0 440.931 2.943 50 0 IFAARN CCc1ccc([C@@H]2NC(=O)N=C(CN3CCN(c4ccccc4)CC3)C2C(=O)OC)cc1 ZINC000057415201 569434077 /nfs/dbraw/zinc/43/40/77/569434077.db2.gz SBDDLUYKKJYDMY-QHCPKHFHSA-N 0 0 434.540 2.852 50 0 IFAARN COC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000057415938 569434163 /nfs/dbraw/zinc/43/41/63/569434163.db2.gz FKGRFKQHLVGHOO-NRFANRHFSA-N 0 0 440.569 2.968 50 0 IFAARN COCCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2ccsc2c1=O ZINC000057425697 569434429 /nfs/dbraw/zinc/43/44/29/569434429.db2.gz YXDNMTMZZSOMQH-UHFFFAOYSA-N 0 0 435.527 2.852 50 0 IFAARN COCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2ccsc2c1=O ZINC000057425828 569434468 /nfs/dbraw/zinc/43/44/68/569434468.db2.gz GOBCFEZAUUFOEK-UHFFFAOYSA-N 0 0 433.511 2.622 50 0 IFAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O)Nc1ccccc1 ZINC000057428178 569434861 /nfs/dbraw/zinc/43/48/61/569434861.db2.gz UBDLZRWRHYHPOB-UHFFFAOYSA-N 0 0 435.461 2.640 50 0 IFAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3)c2=O)cc1OC ZINC000057428842 569434981 /nfs/dbraw/zinc/43/49/81/569434981.db2.gz XPPXSBLSWISULK-UHFFFAOYSA-N 0 0 437.477 2.870 50 0 IFAARN C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c3ccsc3c(=O)n(-c3cc(F)cc(F)c3)c2=O)C1 ZINC000057429011 569434996 /nfs/dbraw/zinc/43/49/96/569434996.db2.gz YTDPVZYWHZWVMO-CHWSQXEVSA-N 0 0 433.480 2.997 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000057428929 569435006 /nfs/dbraw/zinc/43/50/06/569435006.db2.gz DDRPWNLADGYNPW-UHFFFAOYSA-N 0 0 434.477 2.811 50 0 IFAARN COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CS(=O)(=O)C3)c1OC ZINC000003008564 569435292 /nfs/dbraw/zinc/43/52/92/569435292.db2.gz OTWKAXNXPCTFLV-UHFFFAOYSA-N 0 0 427.482 2.879 50 0 IFAARN O=c1c(Cl)c(N2CCN(C[C@@H]3COc4ccccc4O3)CC2)cnn1-c1ccccc1 ZINC000057473808 569435738 /nfs/dbraw/zinc/43/57/38/569435738.db2.gz LLCWEEQMDZTWEH-GOSISDBHSA-N 0 0 438.915 2.848 50 0 IFAARN CCOC(CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1)OCC ZINC000003022145 569436016 /nfs/dbraw/zinc/43/60/16/569436016.db2.gz CTINHAXYPWPUMT-UHFFFAOYSA-N 0 0 440.949 2.947 50 0 IFAARN O=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000003023359 569436098 /nfs/dbraw/zinc/43/60/98/569436098.db2.gz ATQJGIKPRZDLCB-UHFFFAOYSA-N 0 0 443.294 2.861 50 0 IFAARN C[C@@H]1CN([C@@H](CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c2c(F)cccc2Cl)CCO1 ZINC000230099456 569436304 /nfs/dbraw/zinc/43/63/04/569436304.db2.gz GEEATKIKUODUAU-ALKREAHSSA-N 0 0 437.943 2.616 50 0 IFAARN COc1cc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc(OC)c1OC ZINC000057486189 569436408 /nfs/dbraw/zinc/43/64/08/569436408.db2.gz JYLLNLKYVCEHBV-UHFFFAOYSA-N 0 0 441.528 2.726 50 0 IFAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)c1 ZINC000057490197 569437166 /nfs/dbraw/zinc/43/71/66/569437166.db2.gz WSNGUXMVMFAVJF-UHFFFAOYSA-N 0 0 449.488 2.932 50 0 IFAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2F)c1=O)NCc1ccc(F)cc1 ZINC000057490515 569437224 /nfs/dbraw/zinc/43/72/24/569437224.db2.gz HYGDUIJHQHJNGL-UHFFFAOYSA-N 0 0 427.432 2.809 50 0 IFAARN O=C(Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O)NCc1ccccc1 ZINC000057504148 569438161 /nfs/dbraw/zinc/43/81/61/569438161.db2.gz JFRWCQXZXRHSLS-UHFFFAOYSA-N 0 0 444.426 2.669 50 0 IFAARN CCN(C(=O)Cn1nc2cc(C)nc(N3CCc4ccccc4C3)n2c1=O)c1ccccc1 ZINC000057505750 569438202 /nfs/dbraw/zinc/43/82/02/569438202.db2.gz BULNHSIATJKTTD-UHFFFAOYSA-N 0 0 442.523 2.815 50 0 IFAARN O=C(CSc1ncnc2nc(N3CCOCC3)sc21)N1CCCc2ccccc21 ZINC000057506733 569438227 /nfs/dbraw/zinc/43/82/27/569438227.db2.gz NUNSNBWUKNRNIO-UHFFFAOYSA-N 0 0 427.555 2.994 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)Cn2c(=O)cc(C)nc2N2CCc3ccccc3C2)cc1 ZINC000057506660 569438243 /nfs/dbraw/zinc/43/82/43/569438243.db2.gz JGLSZEVDXJSITN-UHFFFAOYSA-N 0 0 431.496 2.712 50 0 IFAARN CCOC(=O)C1C(CN2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000230113685 569438321 /nfs/dbraw/zinc/43/83/21/569438321.db2.gz JCUVHQHLUVKOBM-NQIIRXRSSA-N 0 0 443.544 2.695 50 0 IFAARN O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1ccc(Cl)cc1 ZINC000057520240 569438742 /nfs/dbraw/zinc/43/87/42/569438742.db2.gz TZFFJFYPSBFTJR-UHFFFAOYSA-N 0 0 428.905 2.939 50 0 IFAARN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000230130097 569439125 /nfs/dbraw/zinc/43/91/25/569439125.db2.gz BJJGGWIDCVGKOP-GVXSCFBNSA-N 0 0 448.567 2.848 50 0 IFAARN COc1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1O ZINC000057531368 569439521 /nfs/dbraw/zinc/43/95/21/569439521.db2.gz WCMOOBPRZMZNNB-MPGHIAIKSA-N 0 0 426.416 2.670 50 0 IFAARN O=C(Nc1cccc(-n2cccn2)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000057862998 569442188 /nfs/dbraw/zinc/44/21/88/569442188.db2.gz CBYPWXAUDPCEFE-UHFFFAOYSA-N 0 0 431.543 2.909 50 0 IFAARN CC(C)CN(CC(C)C)C(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003244756 569442712 /nfs/dbraw/zinc/44/27/12/569442712.db2.gz WRPFDYBKKPSVPU-UHFFFAOYSA-N 0 0 432.970 2.644 50 0 IFAARN Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCn2c3ccccc3nc21 ZINC000015674848 569442902 /nfs/dbraw/zinc/44/29/02/569442902.db2.gz UEVLZTJWTJRBPV-UHFFFAOYSA-N 0 0 447.520 2.787 50 0 IFAARN O=S(=O)(c1ccc(SCCCc2nc(-c3ccccc3)no2)nc1)N1CCOCC1 ZINC000057913507 569442931 /nfs/dbraw/zinc/44/29/31/569442931.db2.gz BUMUTHPLCNCGHA-UHFFFAOYSA-N 0 0 446.554 2.877 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000003256746 569443076 /nfs/dbraw/zinc/44/30/76/569443076.db2.gz DVMLHNCPQMSQQP-UHFFFAOYSA-N 0 0 426.441 2.791 50 0 IFAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1nnc2nc(C)cc(C)n21 ZINC000003279176 569443780 /nfs/dbraw/zinc/44/37/80/569443780.db2.gz JYUJWCFVUJVPND-UHFFFAOYSA-N 0 0 446.964 2.652 50 0 IFAARN CCOc1ccccc1C(=O)N[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)OCO2)C(C)C ZINC000003280481 569443876 /nfs/dbraw/zinc/44/38/76/569443876.db2.gz HDOCQNQRONVXGF-NRFANRHFSA-N 0 0 442.468 2.750 50 0 IFAARN COC(=O)C1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)CCCC1 ZINC000058005059 569444599 /nfs/dbraw/zinc/44/45/99/569444599.db2.gz MTRWSYQBDRDHSB-CQSZACIVSA-N 0 0 442.965 2.976 50 0 IFAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3ccc4nsnc4c3)CC2)c1 ZINC000670435777 569444936 /nfs/dbraw/zinc/44/49/36/569444936.db2.gz LERIASKDZLKOND-UHFFFAOYSA-N 0 0 440.525 2.877 50 0 IFAARN Cc1cccc(NC(=O)CN2CCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CC2)c1C ZINC000058023807 569445495 /nfs/dbraw/zinc/44/54/95/569445495.db2.gz HWJSHMMCWUYYQS-UHFFFAOYSA-N 0 0 432.565 2.689 50 0 IFAARN CC(C)C[C@@H](C(=O)OCC(=O)N1CCc2ccccc2C1)N1C(=O)c2ccccc2C1=O ZINC000003313715 569445590 /nfs/dbraw/zinc/44/55/90/569445590.db2.gz CMNIAMUMZQGWOH-NRFANRHFSA-N 0 0 434.492 2.825 50 0 IFAARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003315443 569445697 /nfs/dbraw/zinc/44/56/97/569445697.db2.gz SSPNCVBYSWBQFV-UHFFFAOYSA-N 0 0 439.493 2.815 50 0 IFAARN Cc1ccc(CNC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000003319383 569445839 /nfs/dbraw/zinc/44/58/39/569445839.db2.gz HQPSHVHCPBZJEL-UHFFFAOYSA-N 0 0 448.516 2.782 50 0 IFAARN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000058046639 569445902 /nfs/dbraw/zinc/44/59/02/569445902.db2.gz OXDVVOLFOOVOMM-HZPDHXFCSA-N 0 0 447.557 2.553 50 0 IFAARN CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)sc2c1CC[C@@H](C)C2 ZINC000003326993 569446237 /nfs/dbraw/zinc/44/62/37/569446237.db2.gz WXJYUCQYMSFPIO-GFCCVEGCSA-N 0 0 433.530 2.853 50 0 IFAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000003329658 569446358 /nfs/dbraw/zinc/44/63/58/569446358.db2.gz ILGTXRSOZQEAFL-UHFFFAOYSA-N 0 0 445.522 2.579 50 0 IFAARN Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCN1CCN(c3cccc(C)c3C)CC1)O2 ZINC000058065020 569446466 /nfs/dbraw/zinc/44/64/66/569446466.db2.gz XZJMVMQGIAXCIM-HSZRJFAPSA-N 0 0 436.556 2.640 50 0 IFAARN O=C(COC(=O)c1ccccc1I)Nc1ccc2c(c1)OCO2 ZINC000003391501 569449229 /nfs/dbraw/zinc/44/92/29/569449229.db2.gz IEIILZQCEMUZNX-UHFFFAOYSA-N 0 0 425.178 2.815 50 0 IFAARN COc1ccc(CNC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1OC ZINC000003352824 569447463 /nfs/dbraw/zinc/44/74/63/569447463.db2.gz LWLJAPFGBKYCGJ-QGZVFWFLSA-N 0 0 428.510 2.738 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccco3)n1N)CCC2 ZINC000003352852 569447487 /nfs/dbraw/zinc/44/74/87/569447487.db2.gz WINGNPSKDGCKSI-UHFFFAOYSA-N 0 0 433.515 2.710 50 0 IFAARN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000003361228 569447935 /nfs/dbraw/zinc/44/79/35/569447935.db2.gz PWFVKAHLKALOHC-GJZGRUSLSA-N 0 0 442.965 2.786 50 0 IFAARN NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c(Cl)cc1Cl ZINC000003363214 569448057 /nfs/dbraw/zinc/44/80/57/569448057.db2.gz QIRIKBBHVOTRHV-UHFFFAOYSA-N 0 0 439.223 2.715 50 0 IFAARN COc1ccccc1-c1nnc(SCC(=O)NC(=O)Nc2ccc(C)cc2C)n1N ZINC000003368208 569448181 /nfs/dbraw/zinc/44/81/81/569448181.db2.gz LBQWFVQGABSIAP-UHFFFAOYSA-N 0 0 426.502 2.725 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NC(C)(C)CC)C(C)C)c1 ZINC000003367152 569448193 /nfs/dbraw/zinc/44/81/93/569448193.db2.gz BSDQFXZUFIBXAD-SFHVURJKSA-N 0 0 425.595 2.776 50 0 IFAARN O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(F)cc1 ZINC000058136218 569448356 /nfs/dbraw/zinc/44/83/56/569448356.db2.gz KKPHWBXPXNCUIG-HSZRJFAPSA-N 0 0 447.514 2.839 50 0 IFAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)Nc2ccc(F)cc2F)c1 ZINC000003370805 569448442 /nfs/dbraw/zinc/44/84/42/569448442.db2.gz FXVMCSDPZRKMHF-UHFFFAOYSA-N 0 0 433.440 2.831 50 0 IFAARN CCN1C[C@H](CN(C)C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)Oc2ccccc21 ZINC000058155420 569448951 /nfs/dbraw/zinc/44/89/51/569448951.db2.gz SYIPVXAMMQYVTP-PZJWPPBQSA-N 0 0 438.507 2.650 50 0 IFAARN O=C(OCc1nc2ccccc2s1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003387982 569449041 /nfs/dbraw/zinc/44/90/41/569449041.db2.gz JFMDVPVSVHHSAD-UHFFFAOYSA-N 0 0 436.486 2.813 50 0 IFAARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1C ZINC000003391443 569449277 /nfs/dbraw/zinc/44/92/77/569449277.db2.gz RMMGXSBJHGTGKC-QKFKETGDSA-N 0 0 429.517 2.922 50 0 IFAARN COc1ccccc1NC(=O)COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000003393547 569449391 /nfs/dbraw/zinc/44/93/91/569449391.db2.gz DPZBLFMFIVIRJQ-VGOFRKELSA-N 0 0 444.484 2.907 50 0 IFAARN Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000003396556 569449523 /nfs/dbraw/zinc/44/95/23/569449523.db2.gz KGXYXTYVKWFPOD-UHFFFAOYSA-N 0 0 436.541 2.995 50 0 IFAARN COc1ccccc1NC(=O)Cc1noc(COC(=O)c2ccc(Br)o2)n1 ZINC000003405242 569449868 /nfs/dbraw/zinc/44/98/68/569449868.db2.gz OAFFAUOOJKMFKK-UHFFFAOYSA-N 0 0 436.218 2.972 50 0 IFAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000003419872 569450360 /nfs/dbraw/zinc/45/03/60/569450360.db2.gz MMEITTNONYWUFF-INIZCTEOSA-N 0 0 430.526 2.850 50 0 IFAARN COc1cccc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1 ZINC000030898609 569450537 /nfs/dbraw/zinc/45/05/37/569450537.db2.gz BWOWGRBNWRJEKW-UHFFFAOYSA-N 0 0 433.302 2.821 50 0 IFAARN CC(C)CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000003431528 569450914 /nfs/dbraw/zinc/45/09/14/569450914.db2.gz WBNGLGGGGFVJLX-INIZCTEOSA-N 0 0 430.526 2.756 50 0 IFAARN C[C@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)C(=O)NCc1ccco1 ZINC000003456550 569451822 /nfs/dbraw/zinc/45/18/22/569451822.db2.gz JWNPOKLTBRBDBL-MAUKXSAKSA-N 0 0 426.494 2.930 50 0 IFAARN C[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)C(=O)NCc1ccco1 ZINC000003456557 569451853 /nfs/dbraw/zinc/45/18/53/569451853.db2.gz JWNPOKLTBRBDBL-YJBOKZPZSA-N 0 0 426.494 2.930 50 0 IFAARN Cn1c(SCc2nc(-c3cccc(Br)c3)no2)nnc1N1CCOCC1 ZINC000030975160 569451879 /nfs/dbraw/zinc/45/18/79/569451879.db2.gz VEPABYMDWWQADW-UHFFFAOYSA-N 0 0 437.323 2.757 50 0 IFAARN CC(C)[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1nc(-c2cccnc2)no1 ZINC000058268102 569452103 /nfs/dbraw/zinc/45/21/03/569452103.db2.gz NVWKMEPNBNYBJO-GOSISDBHSA-N 0 0 441.513 2.799 50 0 IFAARN O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1nn[nH]n1 ZINC000217743534 569452569 /nfs/dbraw/zinc/45/25/69/569452569.db2.gz PKBULHBQXVXSEE-IBGZPJMESA-N 0 0 431.456 2.514 50 0 IFAARN O=C(CSc1nnc2sc3ccccc3n12)N1CCN(C(=O)c2ccco2)CC1 ZINC000003495754 569452665 /nfs/dbraw/zinc/45/26/65/569452665.db2.gz HNXQVWUNUWIAAP-UHFFFAOYSA-N 0 0 427.511 2.614 50 0 IFAARN O=C(N[C@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1)c1ccco1 ZINC000031034019 569452729 /nfs/dbraw/zinc/45/27/29/569452729.db2.gz QNYQEOQKUVLJDY-HXUWFJFHSA-N 0 0 435.480 2.635 50 0 IFAARN COc1cc(C(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc(OC)c1OC ZINC000031042551 569452842 /nfs/dbraw/zinc/45/28/42/569452842.db2.gz HLFXYVYPGZLZAO-UHFFFAOYSA-N 0 0 444.513 2.782 50 0 IFAARN CCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nnc1-c1ccncc1 ZINC000003501799 569452861 /nfs/dbraw/zinc/45/28/61/569452861.db2.gz OXAVKKLOQPNVJW-UHFFFAOYSA-N 0 0 427.530 2.828 50 0 IFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1cccc(Cl)c1 ZINC000003525249 569453254 /nfs/dbraw/zinc/45/32/54/569453254.db2.gz CNVDLICASNGWHK-UHFFFAOYSA-N 0 0 442.946 2.984 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000003524072 569453280 /nfs/dbraw/zinc/45/32/80/569453280.db2.gz KMMGBSGPZIEUHQ-UHFFFAOYSA-N 0 0 440.319 2.667 50 0 IFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc2c(c1)CCC2 ZINC000003530292 569453356 /nfs/dbraw/zinc/45/33/56/569453356.db2.gz OHGSXHSCEMSRNA-UHFFFAOYSA-N 0 0 428.510 2.755 50 0 IFAARN O=C(CN1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003538079 569453569 /nfs/dbraw/zinc/45/35/69/569453569.db2.gz VQLVPXNZVOVLPZ-UHFFFAOYSA-N 0 0 435.549 2.735 50 0 IFAARN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 ZINC000003542801 569453634 /nfs/dbraw/zinc/45/36/34/569453634.db2.gz UCAICHMTTDEMOC-UHFFFAOYSA-N 0 0 430.482 2.694 50 0 IFAARN CCOC(=O)C1=C(CN(CC)C[C@H]2COc3ccccc3O2)NC(=O)N[C@@H]1c1ccco1 ZINC000031174334 569454342 /nfs/dbraw/zinc/45/43/42/569454342.db2.gz YSWNZHQCVSQGQW-YCRPNKLZSA-N 0 0 441.484 2.613 50 0 IFAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003621703 569455149 /nfs/dbraw/zinc/45/51/49/569455149.db2.gz HKFIONILYGNVHH-MRXNPFEDSA-N 0 0 428.510 2.606 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000031419113 569456371 /nfs/dbraw/zinc/45/63/71/569456371.db2.gz RSHHNRBEIXRFDU-IBGZPJMESA-N 0 0 449.960 2.899 50 0 IFAARN COC(=O)c1c2c(sc1NC(=O)CN1CCC[C@@H]1C(=O)NCc1ccco1)CCCC2 ZINC000031557683 569456704 /nfs/dbraw/zinc/45/67/04/569456704.db2.gz OEJNUCKFCGRSGC-MRXNPFEDSA-N 0 0 445.541 2.726 50 0 IFAARN COc1ccccc1Nc1nc(N)nc(Cn2cnc3sc4c(c3c2=O)CCCC4)n1 ZINC000031627244 569456938 /nfs/dbraw/zinc/45/69/38/569456938.db2.gz AYUDGJZKSGVLRH-UHFFFAOYSA-N 0 0 435.513 2.905 50 0 IFAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cs2)cc1 ZINC000031718551 569457019 /nfs/dbraw/zinc/45/70/19/569457019.db2.gz FJYNPVHIXAKZMV-UHFFFAOYSA-N 0 0 437.525 2.543 50 0 IFAARN CCOC(=O)C1=C(CSc2nc(=O)c3ccsc3[nH]2)NC(=O)N[C@H]1c1ccco1 ZINC000031780246 569457374 /nfs/dbraw/zinc/45/73/74/569457374.db2.gz IFUYIFLLIFGILH-ZDUSSCGKSA-N 0 0 432.483 2.541 50 0 IFAARN Cc1ccc(Cc2cnc(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)s2)cc1F ZINC000031956280 569458529 /nfs/dbraw/zinc/45/85/29/569458529.db2.gz UQUODRGYOGAYHU-UHFFFAOYSA-N 0 0 432.502 2.618 50 0 IFAARN O=C(NCc1cccnc1N1CCOCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000032017517 569458840 /nfs/dbraw/zinc/45/88/40/569458840.db2.gz XNXQFQGQEKAFDS-UHFFFAOYSA-N 0 0 441.491 2.547 50 0 IFAARN COCCN1C(=O)c2ccc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2C1=O ZINC000032070417 569459195 /nfs/dbraw/zinc/45/91/95/569459195.db2.gz QBDZAIPMHXDIDD-UHFFFAOYSA-N 0 0 442.899 2.706 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 ZINC000032105678 569460253 /nfs/dbraw/zinc/46/02/53/569460253.db2.gz YZABQHRASHGITF-OAQYLSRUSA-N 0 0 449.551 2.646 50 0 IFAARN Cc1ccc(S(=O)(=O)C2(C(=O)NCCc3nnc4ccccn43)CCCC2)cc1C ZINC000032425445 569461665 /nfs/dbraw/zinc/46/16/65/569461665.db2.gz VRMTXMQRXFQTPE-UHFFFAOYSA-N 0 0 426.542 2.792 50 0 IFAARN COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1C ZINC000008133057 569462284 /nfs/dbraw/zinc/46/22/84/569462284.db2.gz ABKNJUYHOXECBU-WNSKOXEYSA-N 0 0 425.485 2.725 50 0 IFAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)[O-])=NC3=[NH+]2)cc1 ZINC000038180686 569462341 /nfs/dbraw/zinc/46/23/41/569462341.db2.gz WOVVFJRUWZRHOV-RBUKOAKNSA-N 0 0 435.484 2.785 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000008324750 569462577 /nfs/dbraw/zinc/46/25/77/569462577.db2.gz YFBVGWXUJPFKBK-UHFFFAOYSA-N 0 0 427.570 2.819 50 0 IFAARN COc1ccc(CC[C@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccccc3OC)C2=O)cc1 ZINC000008328252 569462616 /nfs/dbraw/zinc/46/26/16/569462616.db2.gz XHBUKHULSUYUMV-CMJOXMDJSA-N 0 0 425.485 2.974 50 0 IFAARN COc1ccc(-c2cc3c4nnc(CCC(=O)NCc5cccnc5)n4ccn3n2)cc1 ZINC000038487364 569462895 /nfs/dbraw/zinc/46/28/95/569462895.db2.gz MRRIAAXGTXUYOJ-UHFFFAOYSA-N 0 0 427.468 2.697 50 0 IFAARN CCOc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OCCOC)cc1Br ZINC000008399501 569463300 /nfs/dbraw/zinc/46/33/00/569463300.db2.gz LODIWOQFQSAMPW-HNNXBMFYSA-N 0 0 429.336 2.830 50 0 IFAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N(C)Cc2ccccc2)c1=O ZINC000067205359 569464582 /nfs/dbraw/zinc/46/45/82/569464582.db2.gz IIVFGTCQACDWJD-UHFFFAOYSA-N 0 0 449.532 2.940 50 0 IFAARN CCOC(=O)C1=C2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@]2(c2ccc(C)cc2)NN1 ZINC000008451770 569465126 /nfs/dbraw/zinc/46/51/26/569465126.db2.gz XAZAPOIETXHKIA-VGSWGCGISA-N 0 0 425.872 2.864 50 0 IFAARN CCc1cccc(C)c1NC(=O)Cn1cnc2nc(N3CCN(CC)CC3)sc2c1=O ZINC000067225920 569465212 /nfs/dbraw/zinc/46/52/12/569465212.db2.gz BUQWBSCJSHCYLA-UHFFFAOYSA-N 0 0 440.573 2.504 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)Nc4cccc(C(C)=O)c4)c(=O)n3c(C)n2)cc1 ZINC000067226574 569465281 /nfs/dbraw/zinc/46/52/81/569465281.db2.gz KZAWNJYXNOPTQD-UHFFFAOYSA-N 0 0 431.452 2.716 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)N[C@@H]4CCc5ccccc54)c(=O)n3c(C)n2)cc1 ZINC000067226646 569465326 /nfs/dbraw/zinc/46/53/26/569465326.db2.gz TYNLSQKYLWWJAM-HXUWFJFHSA-N 0 0 429.480 2.679 50 0 IFAARN CCOC(=O)C1CCN(C(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)CC1 ZINC000067237826 569465524 /nfs/dbraw/zinc/46/55/24/569465524.db2.gz XPHTZTXICGWJIY-UHFFFAOYSA-N 0 0 434.562 2.583 50 0 IFAARN COc1ccc(-c2cc3nn(CC(=O)N[C@H](C)c4ccc(OC)cc4)c(=O)n3c(C)n2)cc1 ZINC000067239724 569465678 /nfs/dbraw/zinc/46/56/78/569465678.db2.gz IQABJHOMSLOPHA-OAHLLOKOSA-N 0 0 447.495 2.761 50 0 IFAARN COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccncc5)no4)ccc3c2=O)cc1 ZINC000038655349 569465858 /nfs/dbraw/zinc/46/58/58/569465858.db2.gz NSQYFECGIBLQFP-UHFFFAOYSA-N 0 0 427.420 2.859 50 0 IFAARN Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000067246121 569465951 /nfs/dbraw/zinc/46/59/51/569465951.db2.gz HSRUMAUDOFQFRF-UHFFFAOYSA-N 0 0 427.574 2.746 50 0 IFAARN O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)Nc1ccc(Cl)cc1F ZINC000067245836 569465963 /nfs/dbraw/zinc/46/59/63/569465963.db2.gz KCGHAPIAHXLSRL-UHFFFAOYSA-N 0 0 441.912 2.844 50 0 IFAARN Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000067246124 569465973 /nfs/dbraw/zinc/46/59/73/569465973.db2.gz OOPRWTXRGXPQPA-UHFFFAOYSA-N 0 0 439.516 2.757 50 0 IFAARN CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)CC1 ZINC000067262599 569466712 /nfs/dbraw/zinc/46/67/12/569466712.db2.gz JNDBINFLFPGETE-UHFFFAOYSA-N 0 0 440.891 2.897 50 0 IFAARN O=C(CCn1nnc2ccccc2c1=O)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000038679956 569466726 /nfs/dbraw/zinc/46/67/26/569466726.db2.gz GQDSJKGTPBBKDW-UHFFFAOYSA-N 0 0 432.311 2.837 50 0 IFAARN Cc1ccc(-n2c(=O)nc3nc(N4CCN(c5ccccc5F)CC4)[nH]cc-3c2=O)c(C)c1 ZINC000067283385 569466819 /nfs/dbraw/zinc/46/68/19/569466819.db2.gz BJPGYQKZMNSOBN-UHFFFAOYSA-N 0 0 446.486 2.964 50 0 IFAARN CCOc1cc([C@@H]2NC(=O)NC(CN3CCc4ccccc4C3)=C2C(=O)OC)ccc1O ZINC000067285622 569466992 /nfs/dbraw/zinc/46/69/92/569466992.db2.gz YVEJJLMTUCLNEH-QFIPXVFZSA-N 0 0 437.496 2.630 50 0 IFAARN CCC[N@@H+]1CCc2nc(SCC(=O)N3CCN(c4ccccc4F)CC3)[n-]c(=O)c2C1 ZINC000067291850 569467731 /nfs/dbraw/zinc/46/77/31/569467731.db2.gz JTOOSSJDMCOQAY-UHFFFAOYSA-N 0 0 445.564 2.530 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1ccc(F)cc1 ZINC000067301048 569468271 /nfs/dbraw/zinc/46/82/71/569468271.db2.gz PALWRPZEHGLNFD-UHFFFAOYSA-N 0 0 425.460 2.848 50 0 IFAARN COc1cccc2cc(C(=O)N3CCN(C(=O)[C@H]4C[C@H]4c4cccs4)CC3)c(=O)oc21 ZINC000038730711 569468344 /nfs/dbraw/zinc/46/83/44/569468344.db2.gz QINHOPIEUKLPGW-CVEARBPZSA-N 0 0 438.505 2.951 50 0 IFAARN COc1cccc2cc(C(=O)N3CCN(C(=O)[C@@H]4C[C@H]4c4cccs4)CC3)c(=O)oc21 ZINC000038730708 569468384 /nfs/dbraw/zinc/46/83/84/569468384.db2.gz QINHOPIEUKLPGW-HZPDHXFCSA-N 0 0 438.505 2.951 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(F)c2)c(OC)c1 ZINC000067316675 569468413 /nfs/dbraw/zinc/46/84/13/569468413.db2.gz YOUCUTBNIROQIT-UHFFFAOYSA-N 0 0 441.459 2.549 50 0 IFAARN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cccc(Br)c1)O2 ZINC000038833969 569469218 /nfs/dbraw/zinc/46/92/18/569469218.db2.gz UDCBXPBLJDGRSQ-INIZCTEOSA-N 0 0 425.304 2.923 50 0 IFAARN Cc1cc(NC(=O)Cn2c(=O)cc(-c3nc(-c4ccncc4)no3)c3ccccc32)n[nH]1 ZINC000067318306 569468447 /nfs/dbraw/zinc/46/84/47/569468447.db2.gz SKKQTPSSEAWVKW-UHFFFAOYSA-N 0 0 427.424 2.784 50 0 IFAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc3c(c2)OCCO3)c1C ZINC000067322525 569468679 /nfs/dbraw/zinc/46/86/79/569468679.db2.gz KKMGTOQDVKAOCT-UHFFFAOYSA-N 0 0 437.456 2.647 50 0 IFAARN Cc1cnc2n(c1=O)[C@@H](CC(=O)NCc1cc(-c3ccc4c(c3)O[C@H](C)C4)on1)CS2 ZINC000038755197 569468858 /nfs/dbraw/zinc/46/88/58/569468858.db2.gz RUAZTLGRLPVARR-DYVFJYSZSA-N 0 0 438.509 2.883 50 0 IFAARN COc1ccc(NC(=O)C2=NN(CC(=O)Nc3cccc(SC)c3)C(=O)CC2)cc1 ZINC000067336743 569468964 /nfs/dbraw/zinc/46/89/64/569468964.db2.gz DQLAUZCUVNTUNK-UHFFFAOYSA-N 0 0 426.498 2.973 50 0 IFAARN CC[C@@H](C)NC(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000067338446 569468974 /nfs/dbraw/zinc/46/89/74/569468974.db2.gz SXNTUTQLUKXPAC-QGZVFWFLSA-N 0 0 447.605 2.559 50 0 IFAARN Cc1cc(Cl)cc2sc(N(C[C@@H]3CCCO3)C(=O)CN(C)S(C)(=O)=O)nc21 ZINC000038840632 569469306 /nfs/dbraw/zinc/46/93/06/569469306.db2.gz HFUSPNIATVMDQW-ZDUSSCGKSA-N 0 0 431.967 2.662 50 0 IFAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C1=O ZINC000008644299 569469635 /nfs/dbraw/zinc/46/96/35/569469635.db2.gz WLOPKGWPHOEJSA-OAQYLSRUSA-N 0 0 429.498 2.947 50 0 IFAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O)NCc1ccco1 ZINC000008661422 569469767 /nfs/dbraw/zinc/46/97/67/569469767.db2.gz BQZCTSYAUWOFFB-UHFFFAOYSA-N 0 0 433.848 2.916 50 0 IFAARN O=C(NCc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000008661241 569469774 /nfs/dbraw/zinc/46/97/74/569469774.db2.gz XKPRXESUAWCUDY-KRWDZBQOSA-N 0 0 444.534 2.683 50 0 IFAARN O=C([C@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008675409 569470058 /nfs/dbraw/zinc/47/00/58/569470058.db2.gz SRQGQBHTNYAIRK-JOCHJYFZSA-N 0 0 438.505 2.513 50 0 IFAARN COc1cccc(-n2cnnc2SCC(=O)NCC(=O)Nc2cccc(C)c2C)c1 ZINC000008707116 569470561 /nfs/dbraw/zinc/47/05/61/569470561.db2.gz VXBRHLZTPDDPMC-UHFFFAOYSA-N 0 0 425.514 2.740 50 0 IFAARN C[C@@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000008709136 569470708 /nfs/dbraw/zinc/47/07/08/569470708.db2.gz GKIHHKKQLCOTHL-ZWNOBZJWSA-N 0 0 444.376 2.623 50 0 IFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c1 ZINC000008718217 569471251 /nfs/dbraw/zinc/47/12/51/569471251.db2.gz FSMCPEJPBNYLDG-UHFFFAOYSA-N 0 0 437.521 2.827 50 0 IFAARN COc1cccc(CN(C)CC(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000008718348 569471286 /nfs/dbraw/zinc/47/12/86/569471286.db2.gz RHMKNCKGVVYVDB-UHFFFAOYSA-N 0 0 434.334 2.953 50 0 IFAARN CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000008718494 569471296 /nfs/dbraw/zinc/47/12/96/569471296.db2.gz JFJRAROAOCUYBK-UHFFFAOYSA-N 0 0 443.319 2.588 50 0 IFAARN C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=NN3Cc2c(F)cccc2Cl)n(C)c1=O ZINC000008725394 569472148 /nfs/dbraw/zinc/47/21/48/569472148.db2.gz CMNWPRQQLDAJDT-SNAWJCMRSA-N 0 0 430.871 2.661 50 0 IFAARN Cc1cc(C)c(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(=O)[nH]1 ZINC000008734943 569472589 /nfs/dbraw/zinc/47/25/89/569472589.db2.gz IMTVHLAVLUQMEB-UHFFFAOYSA-N 0 0 445.585 2.805 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000008749454 569473304 /nfs/dbraw/zinc/47/33/04/569473304.db2.gz QAUWBSDIGGOKNS-UHFFFAOYSA-N 0 0 444.431 2.987 50 0 IFAARN CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)C1=O ZINC000008752093 569473535 /nfs/dbraw/zinc/47/35/35/569473535.db2.gz KDSOKXDQDDTZKQ-DGIBIBHMSA-N 0 0 449.558 2.767 50 0 IFAARN COc1cc(Br)c(CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1OC ZINC000008754284 569473799 /nfs/dbraw/zinc/47/37/99/569473799.db2.gz CBACPACJHJOFJF-UHFFFAOYSA-N 0 0 446.301 2.904 50 0 IFAARN Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000008755105 569473890 /nfs/dbraw/zinc/47/38/90/569473890.db2.gz WZKJVRPCECDVRN-GFCCVEGCSA-N 0 0 431.967 2.811 50 0 IFAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000008755124 569473933 /nfs/dbraw/zinc/47/39/33/569473933.db2.gz QDFJLWFQAMVHDW-UHFFFAOYSA-N 0 0 444.944 2.981 50 0 IFAARN CCCCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1 ZINC000008755234 569473950 /nfs/dbraw/zinc/47/39/50/569473950.db2.gz LQOBSCUJQKHYET-UHFFFAOYSA-N 0 0 441.575 2.700 50 0 IFAARN CC[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2c([O-])[nH]c(=O)n(Cc3ccc(OC)cc3)c2=O)[NH2+]1 ZINC000008764232 569474466 /nfs/dbraw/zinc/47/44/66/569474466.db2.gz MUKRCJBRCWHPMC-QRQCRPRQSA-N 0 0 446.507 2.794 50 0 IFAARN COc1cccc(CNC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000008764611 569474617 /nfs/dbraw/zinc/47/46/17/569474617.db2.gz JDNMPDGJGMTDKK-NRFANRHFSA-N 0 0 434.496 2.940 50 0 IFAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000008765239 569474724 /nfs/dbraw/zinc/47/47/24/569474724.db2.gz QPKKJWZTHUUSIB-UHFFFAOYSA-N 0 0 441.491 2.790 50 0 IFAARN CSCC[C@@H](CO)NC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000008765361 569474732 /nfs/dbraw/zinc/47/47/32/569474732.db2.gz IXTZGBVDNFJDBE-HNNXBMFYSA-N 0 0 429.494 2.775 50 0 IFAARN COc1ccc(C(=O)/N=c2\sn(-c3ccc(OC)cc3)nc2C(=O)N2CCCC2)cc1 ZINC000008770519 569475103 /nfs/dbraw/zinc/47/51/03/569475103.db2.gz YCIREPVDGLAHGW-LNVKXUELSA-N 0 0 438.509 2.928 50 0 IFAARN COc1ccccc1[C@H]1CN2C(=O)CN(CCCO)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789527 569475907 /nfs/dbraw/zinc/47/59/07/569475907.db2.gz IZHCLDJDQCGDCG-CJAUYULYSA-N 0 0 433.508 2.590 50 0 IFAARN CCCSc1nc2c(cnn2CCNC(=O)Cc2ccc(F)cc2)c(NCCOC)n1 ZINC000008794962 569476417 /nfs/dbraw/zinc/47/64/17/569476417.db2.gz SIVUCWNGNYSXAM-UHFFFAOYSA-N 0 0 446.552 2.885 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)COC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000008825385 569477419 /nfs/dbraw/zinc/47/74/19/569477419.db2.gz CTTJSJVHHHBKPP-UHFFFAOYSA-N 0 0 431.876 2.990 50 0 IFAARN COc1cccc2s/c(=N/C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)n(C)c21 ZINC000008841010 569478393 /nfs/dbraw/zinc/47/83/93/569478393.db2.gz XYBCBMJCUIBBIM-YWBAYFEHSA-N 0 0 445.566 2.837 50 0 IFAARN COc1ccc(-c2c(NC(=O)CN3CCC(C(N)=O)CC3)oc3ccccc3c2=O)cc1 ZINC000008844401 569478617 /nfs/dbraw/zinc/47/86/17/569478617.db2.gz MOUQPLCQNDEXST-UHFFFAOYSA-N 0 0 435.480 2.604 50 0 IFAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 ZINC000008877617 569481229 /nfs/dbraw/zinc/48/12/29/569481229.db2.gz FMMIXICJBZMEQT-JOCHJYFZSA-N 0 0 443.500 2.994 50 0 IFAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000008877609 569481250 /nfs/dbraw/zinc/48/12/50/569481250.db2.gz FMMIXICJBZMEQT-QFIPXVFZSA-N 0 0 443.500 2.994 50 0 IFAARN COc1ccc([C@@H](CNC(=O)CN2C(=O)NC(C)(C)C2=O)c2c[nH]c3ccccc32)cc1 ZINC000008880548 569481449 /nfs/dbraw/zinc/48/14/49/569481449.db2.gz HJNAYZDFUFDJMP-GOSISDBHSA-N 0 0 434.496 2.755 50 0 IFAARN CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(Cc2cccc(S(=O)(=O)N(C)C)c2)C1=O ZINC000008880579 569481529 /nfs/dbraw/zinc/48/15/29/569481529.db2.gz CEFZGDSLFUBQKJ-FQEVSTJZSA-N 0 0 435.933 2.948 50 0 IFAARN O=C(NCCn1nc2ccccn2c1=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000039563745 569481790 /nfs/dbraw/zinc/48/17/90/569481790.db2.gz BBRKFFRJKWLCCP-UHFFFAOYSA-N 0 0 425.539 2.568 50 0 IFAARN CN(Cc1ccccc1Br)c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000068837891 569482080 /nfs/dbraw/zinc/48/20/80/569482080.db2.gz BXHTVKYYVZXGKH-UHFFFAOYSA-N 0 0 426.336 2.501 50 0 IFAARN CCOC(=O)C1=C(COC(=O)Cc2c(C)n[nH]c2C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000039973587 569482114 /nfs/dbraw/zinc/48/21/14/569482114.db2.gz SOXSHQWSPLYFAN-IBGZPJMESA-N 0 0 446.891 2.637 50 0 IFAARN C[C@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1(Cl)Cl ZINC000068901611 569482533 /nfs/dbraw/zinc/48/25/33/569482533.db2.gz PHAQBVMJMPYUGK-CQSZACIVSA-N 0 0 427.737 2.883 50 0 IFAARN O=C(CN1CCc2ccccc21)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000040017882 569482628 /nfs/dbraw/zinc/48/26/28/569482628.db2.gz APVUYBRYRUSHHV-UHFFFAOYSA-N 0 0 425.554 2.813 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 ZINC000040023557 569482759 /nfs/dbraw/zinc/48/27/59/569482759.db2.gz DUZRMICIYLDCEM-JOCHJYFZSA-N 0 0 438.553 2.709 50 0 IFAARN Cc1nc2c3ccccc3nc(SCCN3C(=O)c4ccccc4S3(=O)=O)n2n1 ZINC000040025106 569482823 /nfs/dbraw/zinc/48/28/23/569482823.db2.gz GXPADXNEIZLYMM-UHFFFAOYSA-N 0 0 425.495 2.523 50 0 IFAARN O=C(CCSc1nnc2ccccn21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000040025043 569482830 /nfs/dbraw/zinc/48/28/30/569482830.db2.gz NXDBZOYRXDJFAG-UHFFFAOYSA-N 0 0 431.543 2.635 50 0 IFAARN O=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)Nc1ccccc1Oc1ccccc1 ZINC000008883044 569483019 /nfs/dbraw/zinc/48/30/19/569483019.db2.gz BYYLIACEDGFBQW-FQEVSTJZSA-N 0 0 425.416 2.889 50 0 IFAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H]3CCCc4ccccc43)C2=O)cc1OC ZINC000008883472 569483033 /nfs/dbraw/zinc/48/30/33/569483033.db2.gz WGFFWNRRQUHOEU-MHECFPHRSA-N 0 0 437.496 2.665 50 0 IFAARN CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC000008887281 569483224 /nfs/dbraw/zinc/48/32/24/569483224.db2.gz MQEVDKHHXFBVLY-RUZDIDTESA-N 0 0 444.491 2.947 50 0 IFAARN O=C(CNC(=O)Nc1ccccc1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000040040484 569483464 /nfs/dbraw/zinc/48/34/64/569483464.db2.gz DFSLPQYJQIOIHV-UHFFFAOYSA-N 0 0 426.786 2.839 50 0 IFAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)cc1OC ZINC000008912548 569485001 /nfs/dbraw/zinc/48/50/01/569485001.db2.gz IFXGFTYASXFILU-UHFFFAOYSA-N 0 0 435.527 2.881 50 0 IFAARN O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000040069449 569485345 /nfs/dbraw/zinc/48/53/45/569485345.db2.gz YHPBGGLZYPYWQG-OAQYLSRUSA-N 0 0 431.536 2.949 50 0 IFAARN CC(C)NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 ZINC000040069401 569485351 /nfs/dbraw/zinc/48/53/51/569485351.db2.gz GDFFOBQQMJSEMB-QGZVFWFLSA-N 0 0 449.598 2.603 50 0 IFAARN CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000008917061 569485944 /nfs/dbraw/zinc/48/59/44/569485944.db2.gz OWQGUVWYYAEYSY-FOIQADDNSA-N 0 0 439.489 2.924 50 0 IFAARN COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000008917057 569485953 /nfs/dbraw/zinc/48/59/53/569485953.db2.gz WXKXXMIFOMGKMB-AUUYWEPGSA-N 0 0 425.462 2.534 50 0 IFAARN CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc(=O)c2c1 ZINC000008917629 569486061 /nfs/dbraw/zinc/48/60/61/569486061.db2.gz LOXNASDCLXQYPT-UHFFFAOYSA-N 0 0 442.493 2.629 50 0 IFAARN COCCNC(=O)c1cccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)c1 ZINC000008918085 569486200 /nfs/dbraw/zinc/48/62/00/569486200.db2.gz RRBHMUXJNMHRDH-DEOSSOPVSA-N 0 0 432.480 2.784 50 0 IFAARN COc1cc(CN2CC(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc(OC)c1OC ZINC000008918456 569486292 /nfs/dbraw/zinc/48/62/92/569486292.db2.gz FVRVQYRNEINPRW-VWLOTQADSA-N 0 0 449.507 2.836 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2C)cc1C ZINC000040074588 569486297 /nfs/dbraw/zinc/48/62/97/569486297.db2.gz HGJZMXNODNUTPI-UHFFFAOYSA-N 0 0 431.558 2.708 50 0 IFAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000040082508 569486652 /nfs/dbraw/zinc/48/66/52/569486652.db2.gz IZAXCUUSEVLIQE-UHFFFAOYSA-N 0 0 430.464 2.587 50 0 IFAARN CN(C)c1nc(N)nc(CN2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)n1 ZINC000040086144 569486690 /nfs/dbraw/zinc/48/66/90/569486690.db2.gz BHTTZTHZUZGCGB-UHFFFAOYSA-N 0 0 427.553 2.705 50 0 IFAARN NS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 ZINC000040094224 569487502 /nfs/dbraw/zinc/48/75/02/569487502.db2.gz VKSHNUPXSWTXOS-UHFFFAOYSA-N 0 0 429.473 2.909 50 0 IFAARN Cc1cc(=O)n2nc(N3CCC[C@H]3C(=O)NCc3ccccc3Br)sc2n1 ZINC000008933841 569487913 /nfs/dbraw/zinc/48/79/13/569487913.db2.gz UXJXEYIPTPVTEC-AWEZNQCLSA-N 0 0 448.346 2.507 50 0 IFAARN CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000008938612 569488203 /nfs/dbraw/zinc/48/82/03/569488203.db2.gz GOXUCBHFCXXOGI-UHFFFAOYSA-N 0 0 443.635 2.627 50 0 IFAARN CS(=O)(=O)N1CCc2cc(C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)ccc21 ZINC000008939274 569488294 /nfs/dbraw/zinc/48/82/94/569488294.db2.gz NEMPXEATXFIZQL-UHFFFAOYSA-N 0 0 436.917 2.753 50 0 IFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCCN(C)CC(F)(F)F)cc1 ZINC000040109007 569488546 /nfs/dbraw/zinc/48/85/46/569488546.db2.gz GYLSECTZWYMLOT-OAHLLOKOSA-N 0 0 435.512 2.864 50 0 IFAARN CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000008940967 569488553 /nfs/dbraw/zinc/48/85/53/569488553.db2.gz PNYAQJAKAIQWBL-UHFFFAOYSA-N 0 0 448.976 2.566 50 0 IFAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@@H]2c2cccs2)C1=O ZINC000008942346 569488669 /nfs/dbraw/zinc/48/86/69/569488669.db2.gz YRQLMNONXCGWBO-VGOFRKELSA-N 0 0 426.542 2.860 50 0 IFAARN COCCn1c(SCC(=O)NC(=O)c2ccc(OC)cc2)nnc1-c1cccc(C)c1 ZINC000008943109 569488737 /nfs/dbraw/zinc/48/87/37/569488737.db2.gz CBNVLXBHVBZLBV-UHFFFAOYSA-N 0 0 440.525 2.957 50 0 IFAARN Cn1c(=O)[nH]c(=O)c2ccc(C(=O)Nc3ccc(F)c(NC(=O)C4CCCCC4)c3)nc21 ZINC000040110753 569488739 /nfs/dbraw/zinc/48/87/39/569488739.db2.gz LDBDUMICEFEWAD-UHFFFAOYSA-N 0 0 439.447 2.532 50 0 IFAARN COc1ccc([C@@H]2CCCN2CC(=O)N2CCN(C(=O)c3cccs3)CC2)c(OC)c1 ZINC000008943974 569488868 /nfs/dbraw/zinc/48/88/68/569488868.db2.gz JSRJBOIAMWQLBB-IBGZPJMESA-N 0 0 443.569 2.887 50 0 IFAARN COc1cc(OC)cc(C(=O)NCCn2ncc3c2nc(SC)nc3N2CCCC2)c1 ZINC000008946508 569489097 /nfs/dbraw/zinc/48/90/97/569489097.db2.gz JAJSOENAKAZOGF-UHFFFAOYSA-N 0 0 442.545 2.596 50 0 IFAARN Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)ccc1F ZINC000040120437 569489413 /nfs/dbraw/zinc/48/94/13/569489413.db2.gz IWTYNZMUGUMOGN-CQSZACIVSA-N 0 0 438.481 2.525 50 0 IFAARN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC(C)C)C1 ZINC000040121296 569489498 /nfs/dbraw/zinc/48/94/98/569489498.db2.gz BACVVMRGDHHJHW-ICSRJNTNSA-N 0 0 429.561 2.701 50 0 IFAARN COC(=O)c1ccc(OC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000040128376 569489764 /nfs/dbraw/zinc/48/97/64/569489764.db2.gz RXNVPZQDGTXMNN-UHFFFAOYSA-N 0 0 427.453 2.948 50 0 IFAARN CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)nc1C ZINC000040129551 569489823 /nfs/dbraw/zinc/48/98/23/569489823.db2.gz QAMNGYQCOXAOSL-UHFFFAOYSA-N 0 0 427.504 2.566 50 0 IFAARN Cc1sc(=O)n(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1-c1ccc(F)cc1 ZINC000040130142 569490232 /nfs/dbraw/zinc/49/02/32/569490232.db2.gz NKRHRCCDRTWOKI-UHFFFAOYSA-N 0 0 425.441 2.889 50 0 IFAARN CC(C)Sc1ncccc1C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000040141931 569491793 /nfs/dbraw/zinc/49/17/93/569491793.db2.gz GGQTYTFKTNLFNL-UHFFFAOYSA-N 0 0 440.635 2.849 50 0 IFAARN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2F)cc1 ZINC000040146718 569492318 /nfs/dbraw/zinc/49/23/18/569492318.db2.gz RCTAVYHVAHYGLK-IBGZPJMESA-N 0 0 431.439 2.723 50 0 IFAARN CCOC(=O)COc1ccc([C@H](C)NC(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000040149979 569493094 /nfs/dbraw/zinc/49/30/94/569493094.db2.gz LUPLFKBVDGSXLW-AWEZNQCLSA-N 0 0 430.457 2.926 50 0 IFAARN CNC(=O)c1cc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)ccc1Cl ZINC000040151959 569493360 /nfs/dbraw/zinc/49/33/60/569493360.db2.gz ZEVMFLFXVIYUHF-LAJNKCICSA-N 0 0 434.924 2.775 50 0 IFAARN COC(=O)c1cn([C@H]2CCCC[C@H]2NC(=O)c2sc(NC(=O)C3CC3)cc2C)nn1 ZINC000040152709 569493485 /nfs/dbraw/zinc/49/34/85/569493485.db2.gz ASZIXOMBHPJYBW-HIFRSBDPSA-N 0 0 431.518 2.697 50 0 IFAARN COc1cc(-c2ccccc2)sc1C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000040154285 569493742 /nfs/dbraw/zinc/49/37/42/569493742.db2.gz UTTNCGVDGIVAMT-HUUCEWRRSA-N 0 0 438.571 2.593 50 0 IFAARN O=C(NCc1ccnc(OCc2ccccc2)c1)c1nc(N2CCOCC2)ncc1Cl ZINC000040154640 569493858 /nfs/dbraw/zinc/49/38/58/569493858.db2.gz SAWPZVLSUVUKMC-UHFFFAOYSA-N 0 0 439.903 2.871 50 0 IFAARN CN(CCCC(=O)NCCCCOCC(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC000040156004 569494012 /nfs/dbraw/zinc/49/40/12/569494012.db2.gz PQPAWTIJXXBWLQ-UHFFFAOYSA-N 0 0 428.448 2.702 50 0 IFAARN CSCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000040156182 569494109 /nfs/dbraw/zinc/49/41/09/569494109.db2.gz GJQRZPAHKGJJOY-DNVCBOLYSA-N 0 0 446.598 2.981 50 0 IFAARN CSCC[C@H](C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)N1C(=O)c2ccccc2C1=O ZINC000040158915 569494593 /nfs/dbraw/zinc/49/45/93/569494593.db2.gz LQCUFJLJUWXCSI-OHDICMOHSA-N 0 0 446.569 2.888 50 0 IFAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000040159115 569494628 /nfs/dbraw/zinc/49/46/28/569494628.db2.gz AYXMUKNHXZBMML-OLZOCXBDSA-N 0 0 440.905 2.586 50 0 IFAARN COc1cc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc2c1OCCO2 ZINC000008986299 569494842 /nfs/dbraw/zinc/49/48/42/569494842.db2.gz PMQWEAPICDTCQC-UHFFFAOYSA-N 0 0 447.241 2.594 50 0 IFAARN COc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1OC ZINC000040162378 569495179 /nfs/dbraw/zinc/49/51/79/569495179.db2.gz RGBWBNCSICHOME-GFCCVEGCSA-N 0 0 428.457 2.528 50 0 IFAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1ccccc1Cl ZINC000008990985 569495275 /nfs/dbraw/zinc/49/52/75/569495275.db2.gz TWBFKDMXJFRPHO-INIZCTEOSA-N 0 0 429.860 2.790 50 0 IFAARN C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 ZINC000009012516 569496564 /nfs/dbraw/zinc/49/65/64/569496564.db2.gz ZITLIZLFZGDYLH-AWEZNQCLSA-N 0 0 436.917 2.529 50 0 IFAARN O=S(=O)(NCC1CCN(c2ncc(F)cn2)CC1)c1ccccc1Br ZINC000245020792 569497007 /nfs/dbraw/zinc/49/70/07/569497007.db2.gz MHCVYKJWOBFPFF-UHFFFAOYSA-N 0 0 429.315 2.573 50 0 IFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)NCCC1=CCCCC1 ZINC000009033971 569497215 /nfs/dbraw/zinc/49/72/15/569497215.db2.gz LRJOQNKYVZBDIC-KSFYIVLOSA-N 0 0 428.485 2.871 50 0 IFAARN Cc1cccc(S(=O)(=O)NCCC(=O)N2CC[C@H](Oc3cccc4cccnc43)C2)c1 ZINC000245093433 569497239 /nfs/dbraw/zinc/49/72/39/569497239.db2.gz RNGHJQDFWSMBHL-IBGZPJMESA-N 0 0 439.537 2.892 50 0 IFAARN O=C1C[C@@H](CNS(=O)(=O)c2ccc(Br)cc2)CN1c1ccc(F)cc1 ZINC000009036322 569497309 /nfs/dbraw/zinc/49/73/09/569497309.db2.gz MXZZCVAGBDTRQI-LBPRGKRZSA-N 0 0 427.295 2.920 50 0 IFAARN O=C1C[C@@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc2c(c1)OCO2 ZINC000009037501 569497361 /nfs/dbraw/zinc/49/73/61/569497361.db2.gz NGBSVAMPOFQUDT-LBPRGKRZSA-N 0 0 442.415 2.766 50 0 IFAARN O=C1C[C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1ccc2c(c1)OCO2 ZINC000009037511 569497391 /nfs/dbraw/zinc/49/73/91/569497391.db2.gz AFTQIPIAOJZZTQ-LBPRGKRZSA-N 0 0 442.415 2.766 50 0 IFAARN Cc1cc(N2C[C@@H](C(=O)N3CCC[C@@H](C4OCCO4)C3)CC2=O)ccc1Br ZINC000069232391 569497735 /nfs/dbraw/zinc/49/77/35/569497735.db2.gz LYXIZWWAUXWTRB-CABCVRRESA-N 0 0 437.334 2.722 50 0 IFAARN O=C(c1c2c(sc1-n1cnnn1)CCC2)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000040284825 569497898 /nfs/dbraw/zinc/49/78/98/569497898.db2.gz VQEVXRLHLLNULG-UHFFFAOYSA-N 0 0 429.933 2.990 50 0 IFAARN NC(=O)C1CCN(c2nc(NCc3ccco3)nc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000040286104 569498084 /nfs/dbraw/zinc/49/80/84/569498084.db2.gz CWWKDPROBDXIRS-UHFFFAOYSA-N 0 0 435.463 2.861 50 0 IFAARN COc1ccc(Cc2nnc(NC(=O)CCCn3nnc4ccccc4c3=O)s2)cc1 ZINC000040285869 569498092 /nfs/dbraw/zinc/49/80/92/569498092.db2.gz UVFABMOTHVAFRN-UHFFFAOYSA-N 0 0 436.497 2.661 50 0 IFAARN O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccccc1C(=O)NC1CC1 ZINC000009056512 569499061 /nfs/dbraw/zinc/49/90/61/569499061.db2.gz VBQVKNUJQQUXIK-CYBMUJFWSA-N 0 0 433.559 2.752 50 0 IFAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O ZINC000009056660 569499074 /nfs/dbraw/zinc/49/90/74/569499074.db2.gz ZRSOSHJILVYIKG-SSOJOUAXSA-N 0 0 445.475 2.563 50 0 IFAARN O=C(c1ccc(Br)o1)N(CCS(=O)(=O)N1CCCC1)Cc1ccncc1 ZINC000009060768 569499451 /nfs/dbraw/zinc/49/94/51/569499451.db2.gz UTPAJZXCNJOVEN-UHFFFAOYSA-N 0 0 442.335 2.505 50 0 IFAARN CC[C@@]1(c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CCC(=O)NC1=O ZINC000009060562 569499463 /nfs/dbraw/zinc/49/94/63/569499463.db2.gz XYYKDTAQDAWORL-NRFANRHFSA-N 0 0 429.498 2.530 50 0 IFAARN O=C(NCCCN1CCOCC1)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355572 569499813 /nfs/dbraw/zinc/49/98/13/569499813.db2.gz LMBRTMCEIDJVLJ-UHFFFAOYSA-N 0 0 442.463 2.866 50 0 IFAARN COc1ccc(CCNC(=O)C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1OC ZINC000009067959 569500014 /nfs/dbraw/zinc/50/00/14/569500014.db2.gz VDRYPQLZODLUDI-UHFFFAOYSA-N 0 0 443.519 2.852 50 0 IFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(CN2CCCC2=O)c1 ZINC000009077098 569500379 /nfs/dbraw/zinc/50/03/79/569500379.db2.gz IVUGRODAGTVUSS-UHFFFAOYSA-N 0 0 427.526 2.846 50 0 IFAARN C[C@H](NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 ZINC000245237196 569500453 /nfs/dbraw/zinc/50/04/53/569500453.db2.gz GCNOHPDPBZYRGZ-KSSFIOAISA-N 0 0 444.582 2.958 50 0 IFAARN C[C@@H](NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 ZINC000245237194 569500467 /nfs/dbraw/zinc/50/04/67/569500467.db2.gz GCNOHPDPBZYRGZ-KDOFPFPSSA-N 0 0 444.582 2.958 50 0 IFAARN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000069327996 569501001 /nfs/dbraw/zinc/50/10/01/569501001.db2.gz KZQHEQYHSAGSSY-LBPRGKRZSA-N 0 0 438.297 2.781 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)sc2c1 ZINC000009095571 569501427 /nfs/dbraw/zinc/50/14/27/569501427.db2.gz GDZFLYNOHYXCOR-UHFFFAOYSA-N 0 0 433.511 2.784 50 0 IFAARN COc1cc2c3nc(C)nn3c(=O)n(CC(=O)Nc3cccc(Cl)c3)c2cc1OC ZINC000069350506 569501720 /nfs/dbraw/zinc/50/17/20/569501720.db2.gz KRBIKCPFZLFXSA-UHFFFAOYSA-N 0 0 427.848 2.662 50 0 IFAARN O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009113831 569502558 /nfs/dbraw/zinc/50/25/58/569502558.db2.gz XBMNGXVKKCDPRL-UHFFFAOYSA-N 0 0 439.541 2.979 50 0 IFAARN COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)N5CCOCC5)C4)sc3n2)cc1 ZINC000009117396 569503132 /nfs/dbraw/zinc/50/31/32/569503132.db2.gz VBKGBMIQKRTQSJ-INIZCTEOSA-N 0 0 427.530 2.542 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)NCCc2ccc(O)cc2)c1 ZINC000069380075 569503607 /nfs/dbraw/zinc/50/36/07/569503607.db2.gz DTWAQMNTDKFTPG-UHFFFAOYSA-N 0 0 434.562 2.853 50 0 IFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)OCc1nc2ccc(Cl)cc2n1CCO ZINC000009120728 569503963 /nfs/dbraw/zinc/50/39/63/569503963.db2.gz JKIOSUZKLYVUIY-UHFFFAOYSA-N 0 0 441.871 2.802 50 0 IFAARN COc1ccc(-n2c(C)cn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1 ZINC000009124158 569504299 /nfs/dbraw/zinc/50/42/99/569504299.db2.gz HJCAQRUUVIRXCT-UHFFFAOYSA-N 0 0 433.443 2.643 50 0 IFAARN CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2ccccc2c1=O ZINC000009126132 569504790 /nfs/dbraw/zinc/50/47/90/569504790.db2.gz XCXMBOPDTQICQB-UHFFFAOYSA-N 0 0 449.536 2.945 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000009126209 569504882 /nfs/dbraw/zinc/50/48/82/569504882.db2.gz OTSSUCMYXXYXFI-UHFFFAOYSA-N 0 0 442.497 2.785 50 0 IFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1sc2[nH]c(C)nc(=O)c2c1C ZINC000009129528 569505804 /nfs/dbraw/zinc/50/58/04/569505804.db2.gz HVLUFGOZNDCRSQ-UHFFFAOYSA-N 0 0 431.470 2.763 50 0 IFAARN Cc1cccc(-n2ccc(=O)c(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)n2)c1 ZINC000009130019 569505903 /nfs/dbraw/zinc/50/59/03/569505903.db2.gz BFXOEJCIUFQSRV-UHFFFAOYSA-N 0 0 440.506 2.806 50 0 IFAARN Cc1cc(C(=O)NC2CCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)CC2)on1 ZINC000069416122 569506188 /nfs/dbraw/zinc/50/61/88/569506188.db2.gz AAZASOYKGOWAHF-UHFFFAOYSA-N 0 0 433.892 2.761 50 0 IFAARN COc1ccc(C)cc1NC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O ZINC000040478010 569506667 /nfs/dbraw/zinc/50/66/67/569506667.db2.gz NACISLIXTPDRPC-UHFFFAOYSA-N 0 0 438.875 2.645 50 0 IFAARN CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009134701 569507022 /nfs/dbraw/zinc/50/70/22/569507022.db2.gz CZBFUZQHLXMHKJ-MRXNPFEDSA-N 0 0 430.555 2.751 50 0 IFAARN COc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1Cl ZINC000009151653 569507562 /nfs/dbraw/zinc/50/75/62/569507562.db2.gz FLKGQLZSGSLQPV-LLVKDONJSA-N 0 0 438.889 2.871 50 0 IFAARN CCOc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 ZINC000009151747 569507582 /nfs/dbraw/zinc/50/75/82/569507582.db2.gz QGIDSKDGQBECQW-AWEZNQCLSA-N 0 0 432.498 2.916 50 0 IFAARN Cc1cc2c(cc1S(=O)(=O)[C@H](C)CC(=O)NCc1ccc(Cl)cc1)OCC(=O)N2 ZINC000009151707 569507584 /nfs/dbraw/zinc/50/75/84/569507584.db2.gz MEDRNBUKRXZVSC-CYBMUJFWSA-N 0 0 436.917 2.848 50 0 IFAARN CN(c1ccnc(C(=O)NCc2ccc3c(c2)OCO3)c1)S(=O)(=O)c1ccccc1 ZINC000009152031 569507694 /nfs/dbraw/zinc/50/76/94/569507694.db2.gz QSKSMRCKWVMLFG-UHFFFAOYSA-N 0 0 425.466 2.565 50 0 IFAARN Nc1nc(SCC(=O)Nc2cc(F)ccc2F)ncc1S(=O)(=O)c1ccccc1 ZINC000009152086 569507751 /nfs/dbraw/zinc/50/77/51/569507751.db2.gz RMXAYLNBNFSDRG-UHFFFAOYSA-N 0 0 436.465 2.901 50 0 IFAARN Cc1ccc(CCNC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000009152691 569507802 /nfs/dbraw/zinc/50/78/02/569507802.db2.gz DROMCZGOBDGSKH-OAHLLOKOSA-N 0 0 432.567 2.950 50 0 IFAARN Cc1ccc(CCNC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000009152692 569507841 /nfs/dbraw/zinc/50/78/41/569507841.db2.gz DROMCZGOBDGSKH-HNNXBMFYSA-N 0 0 432.567 2.950 50 0 IFAARN COc1cc(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)cc(OC)c1OC ZINC000009153057 569507978 /nfs/dbraw/zinc/50/79/78/569507978.db2.gz FBCANEWESXZWPL-UHFFFAOYSA-N 0 0 445.453 2.506 50 0 IFAARN Cc1csc(=O)n1CC(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000009155462 569508227 /nfs/dbraw/zinc/50/82/27/569508227.db2.gz FJWGVCGMHWPIAZ-UHFFFAOYSA-N 0 0 425.466 2.516 50 0 IFAARN CC(=O)N(c1nc(COC(=O)CCN2C(=O)NC(C)(C)C2=O)cs1)c1ccccc1 ZINC000009155450 569508229 /nfs/dbraw/zinc/50/82/29/569508229.db2.gz AHLPYIAJFOAXHA-UHFFFAOYSA-N 0 0 430.486 2.591 50 0 IFAARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000009159033 569508573 /nfs/dbraw/zinc/50/85/73/569508573.db2.gz NBEZVFUWBMAGIP-DDOIHHOZSA-N 0 0 437.883 2.780 50 0 IFAARN CC(C)OCCCn1c(-c2ccc(Cl)cc2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000009159953 569508640 /nfs/dbraw/zinc/50/86/40/569508640.db2.gz XZAFONKPICINMZ-UHFFFAOYSA-N 0 0 429.908 2.822 50 0 IFAARN NC(=O)c1ccc(NC(=O)COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC000009167641 569509054 /nfs/dbraw/zinc/50/90/54/569509054.db2.gz OZMYDBVFRMIBFJ-UHFFFAOYSA-N 0 0 441.447 2.829 50 0 IFAARN CCN(C(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C)C1=CCCCC1 ZINC000009170255 569509280 /nfs/dbraw/zinc/50/92/80/569509280.db2.gz GDULLRXVJVJXFW-UHFFFAOYSA-N 0 0 445.589 2.723 50 0 IFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000009184478 569509933 /nfs/dbraw/zinc/50/99/33/569509933.db2.gz DXFNPKMJZXKAQB-LJQANCHMSA-N 0 0 432.498 2.664 50 0 IFAARN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)C2CCCCC2)cc1Cl ZINC000009191324 569510636 /nfs/dbraw/zinc/51/06/36/569510636.db2.gz SWTMUNWUTGVAPK-MRXNPFEDSA-N 0 0 444.981 2.967 50 0 IFAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C(=O)N1CCCCC1 ZINC000009191854 569510680 /nfs/dbraw/zinc/51/06/80/569510680.db2.gz DHZRNKBMVOKAOT-UHFFFAOYSA-N 0 0 432.498 2.893 50 0 IFAARN COc1ccc(-n2nnnc2C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000009199866 569511177 /nfs/dbraw/zinc/51/11/77/569511177.db2.gz VDGOFNNAFPZAEA-UHFFFAOYSA-N 0 0 433.921 2.893 50 0 IFAARN Cc1ccccc1OCCOc1ccc(Oc2nc(N(C)C)nc(N3CCCC3)n2)nn1 ZINC000009201798 569511231 /nfs/dbraw/zinc/51/12/31/569511231.db2.gz RZFMOCHWLWWFGX-UHFFFAOYSA-N 0 0 437.504 2.886 50 0 IFAARN CCCC(=O)Nc1ccc(C(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1 ZINC000009202946 569511250 /nfs/dbraw/zinc/51/12/50/569511250.db2.gz LACGGHPQLNNIBN-UHFFFAOYSA-N 0 0 446.554 2.934 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 ZINC000009203627 569511267 /nfs/dbraw/zinc/51/12/67/569511267.db2.gz HHHIYQLYXLTZLA-UHFFFAOYSA-N 0 0 431.514 2.838 50 0 IFAARN COc1ccc(N(C(=O)c2ccncc2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000009206713 569511377 /nfs/dbraw/zinc/51/13/77/569511377.db2.gz GPHVZAZMLZGBOP-UHFFFAOYSA-N 0 0 439.449 2.571 50 0 IFAARN CCCCC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000009206710 569511406 /nfs/dbraw/zinc/51/14/06/569511406.db2.gz BHUUNSQNDKDWME-UHFFFAOYSA-N 0 0 431.514 2.798 50 0 IFAARN CCOC(=O)c1cccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 ZINC000009206857 569511415 /nfs/dbraw/zinc/51/14/15/569511415.db2.gz UWBXLNCGDWTCME-LBPRGKRZSA-N 0 0 426.498 2.793 50 0 IFAARN O=C(CNc1ccccc1N1CCCC1=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000009207100 569511455 /nfs/dbraw/zinc/51/14/55/569511455.db2.gz HOSMUZCFDMOYRP-UHFFFAOYSA-N 0 0 444.289 2.796 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)Cc3ccccc3Cl)CC2)cc1 ZINC000009219380 569512517 /nfs/dbraw/zinc/51/25/17/569512517.db2.gz VOLABAUSFQKXEK-UHFFFAOYSA-N 0 0 435.977 2.613 50 0 IFAARN Cc1cc(C)c(NC(=O)Cn2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2N)c(C)c1 ZINC000009211589 569511843 /nfs/dbraw/zinc/51/18/43/569511843.db2.gz XGKGNPVFXMTPBW-UHFFFAOYSA-N 0 0 447.455 2.870 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@H]4c2ccc(O)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000009215906 569512049 /nfs/dbraw/zinc/51/20/49/569512049.db2.gz YQEAMOVJUQZBEM-QFIPXVFZSA-N 0 0 433.464 2.540 50 0 IFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-c2cccs2)[nH]c1=O ZINC000069669977 569512315 /nfs/dbraw/zinc/51/23/15/569512315.db2.gz VVRZNZINNAFFCN-UHFFFAOYSA-N 0 0 436.493 2.629 50 0 IFAARN Cc1cccc(N(Cc2ccccc2)C(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000009219607 569512522 /nfs/dbraw/zinc/51/25/22/569512522.db2.gz NEZJYRVNGHNDPQ-UHFFFAOYSA-N 0 0 445.523 2.756 50 0 IFAARN Cc1ccc(C)c(-n2cnnc2SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000009220703 569512541 /nfs/dbraw/zinc/51/25/41/569512541.db2.gz DAWWYMOBLARQOZ-SFHVURJKSA-N 0 0 448.614 2.935 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NCC(=O)Nc2cc(C(=O)OC)ccc2C)c1 ZINC000009220576 569512579 /nfs/dbraw/zinc/51/25/79/569512579.db2.gz LNSITGHITMUXSV-UHFFFAOYSA-N 0 0 433.530 2.863 50 0 IFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nccn2Cc2ccccc2)cc1 ZINC000009222187 569512700 /nfs/dbraw/zinc/51/27/00/569512700.db2.gz CCWFUYTTXHCSFJ-UHFFFAOYSA-N 0 0 430.555 2.913 50 0 IFAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2N)cc1OC ZINC000009226917 569513355 /nfs/dbraw/zinc/51/33/55/569513355.db2.gz MACKMGFNDPNPSB-UHFFFAOYSA-N 0 0 444.879 2.730 50 0 IFAARN NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009227104 569513358 /nfs/dbraw/zinc/51/33/58/569513358.db2.gz PLNVETQXNKFPPF-UHFFFAOYSA-N 0 0 437.521 2.978 50 0 IFAARN COc1ccc(CNC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)cc2)cc1 ZINC000009238692 569514340 /nfs/dbraw/zinc/51/43/40/569514340.db2.gz GNOZNLOLQBTFKV-OALUTQOASA-N 0 0 425.514 2.679 50 0 IFAARN C[C@@H]1Cn2c3c(nc2N(CCc2ccccc2)C1)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000009243217 569514874 /nfs/dbraw/zinc/51/48/74/569514874.db2.gz ZVVFSAHWGGKREE-KRWDZBQOSA-N 0 0 447.514 2.783 50 0 IFAARN Cc1csc(=O)n1CCC(=O)OCC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000009244564 569515077 /nfs/dbraw/zinc/51/50/77/569515077.db2.gz CKPFNNGPDDHLGT-GFCCVEGCSA-N 0 0 427.320 2.791 50 0 IFAARN COc1ccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2cccc(C)c2)cc1OC ZINC000009252649 569516018 /nfs/dbraw/zinc/51/60/18/569516018.db2.gz HUVIAALICGSMSA-RTWAWAEBSA-N 0 0 434.496 2.937 50 0 IFAARN Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009255867 569516638 /nfs/dbraw/zinc/51/66/38/569516638.db2.gz VDOJNRNSJBJPLJ-OAHLLOKOSA-N 0 0 434.543 2.933 50 0 IFAARN COc1ccc(N2C[C@H](C(=O)N(C)Cc3ccc(OC)c(OC)c3)CC2=O)c(OC)c1 ZINC000009257738 569516869 /nfs/dbraw/zinc/51/68/69/569516869.db2.gz RJOQMCWWTOCMTB-MRXNPFEDSA-N 0 0 428.485 2.733 50 0 IFAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCN1CCc2ccccc2C1 ZINC000009268882 569517603 /nfs/dbraw/zinc/51/76/03/569517603.db2.gz GWYUAPYWNRDACU-UHFFFAOYSA-N 0 0 427.526 2.995 50 0 IFAARN CCc1ccc(N2C(=O)N(CC(=O)Nc3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009269341 569517662 /nfs/dbraw/zinc/51/76/62/569517662.db2.gz UTGQKAPGFIZIAH-RTBURBONSA-N 0 0 447.944 2.949 50 0 IFAARN C[C@@H]1Cc2cc(S(=O)(=O)CCC(=O)NCc3cccs3)ccc2N1C(=O)C1CC1 ZINC000009273771 569518070 /nfs/dbraw/zinc/51/80/70/569518070.db2.gz IOZZZIYJZPMROZ-CQSZACIVSA-N 0 0 432.567 2.916 50 0 IFAARN Cc1sc2nc(-c3cccc(NC(=O)CSc4nc(N)n[nH]4)c3)[nH]c(=O)c2c1C ZINC000009282833 569518749 /nfs/dbraw/zinc/51/87/49/569518749.db2.gz NPJCKGBTTJXUJO-UHFFFAOYSA-N 0 0 427.515 2.700 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2COc3ccccc3O2)ccc1Cl ZINC000009282921 569518823 /nfs/dbraw/zinc/51/88/23/569518823.db2.gz OWMNYVZNZZAGBI-HNNXBMFYSA-N 0 0 438.933 2.940 50 0 IFAARN Cc1ccc(-n2nnnc2SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c(C)c1 ZINC000009284881 569519106 /nfs/dbraw/zinc/51/91/06/569519106.db2.gz IHJRNNGWGQFVEE-UHFFFAOYSA-N 0 0 428.493 2.607 50 0 IFAARN CCn1c(CC(=O)Nc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 ZINC000009290124 569519682 /nfs/dbraw/zinc/51/96/82/569519682.db2.gz GOYOQZWWRKDEGJ-NSHDSACASA-N 0 0 431.547 2.758 50 0 IFAARN C[C@@H]1Cn2c3c(nc2N(Cc2ccccc2)C1)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000009291956 569519969 /nfs/dbraw/zinc/51/99/69/569519969.db2.gz WRKIYHUOQVMIQR-INIZCTEOSA-N 0 0 433.487 2.740 50 0 IFAARN COc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)c1 ZINC000009293028 569520149 /nfs/dbraw/zinc/52/01/49/569520149.db2.gz LSXAJDAWPNQDHS-UHFFFAOYSA-N 0 0 431.496 2.722 50 0 IFAARN COc1ccc(Cl)cc1-n1c(C)c(C)n2c1nc1c2c(=O)n([C@H](C)C(C)=O)c(=O)n1C ZINC000009297154 569520529 /nfs/dbraw/zinc/52/05/29/569520529.db2.gz VWRTUQRRDQSJHD-GFCCVEGCSA-N 0 0 443.891 2.567 50 0 IFAARN Cc1nc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)sc1C ZINC000009302381 569520824 /nfs/dbraw/zinc/52/08/24/569520824.db2.gz UANBIZRWJDUIRD-UHFFFAOYSA-N 0 0 430.559 2.858 50 0 IFAARN COc1cccc(NC(=O)Cc2nnc(S[C@H](C)C(=O)Nc3nccs3)n2C)c1 ZINC000009302510 569520859 /nfs/dbraw/zinc/52/08/59/569520859.db2.gz JGBLAALTQWMLBR-LLVKDONJSA-N 0 0 432.531 2.581 50 0 IFAARN CN(C)c1ccc([C@@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000009302687 569520891 /nfs/dbraw/zinc/52/08/91/569520891.db2.gz RHJKRDYFRDRJGQ-QHCPKHFHSA-N 0 0 430.508 2.891 50 0 IFAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)c1ccccc1 ZINC000009303568 569521016 /nfs/dbraw/zinc/52/10/16/569521016.db2.gz HRIUFRFTCFQMRZ-HOCLYGCPSA-N 0 0 430.555 2.969 50 0 IFAARN CCc1c(C)nn(-c2nc(C)cc(C)n2)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000009305145 569521209 /nfs/dbraw/zinc/52/12/09/569521209.db2.gz NTPIXYPDINTBEX-UHFFFAOYSA-N 0 0 429.502 2.876 50 0 IFAARN COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000009305284 569521253 /nfs/dbraw/zinc/52/12/53/569521253.db2.gz DJILSXFGDYLCKC-INIZCTEOSA-N 0 0 431.514 2.693 50 0 IFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)=O)c3)C2)cc1 ZINC000009306303 569521359 /nfs/dbraw/zinc/52/13/59/569521359.db2.gz WHZCKVKFAGPDLS-SFHVURJKSA-N 0 0 443.525 2.887 50 0 IFAARN Cc1ccc(S(=O)(=O)NC2CCC(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)CC2)cc1 ZINC000009308320 569521463 /nfs/dbraw/zinc/52/14/63/569521463.db2.gz LRVIFVMVFGRBHO-XKXWHVAQSA-N 0 0 434.602 2.986 50 0 IFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2ccc(C(=O)OC)cc2)ccc1C ZINC000009314006 569522005 /nfs/dbraw/zinc/52/20/05/569522005.db2.gz RCGDPRWITVZGQN-UHFFFAOYSA-N 0 0 433.530 2.863 50 0 IFAARN Cc1c(NC(=O)[C@H](C)Sc2nc3sccc3c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000009314840 569522083 /nfs/dbraw/zinc/52/20/83/569522083.db2.gz MVNKTNMVNBUZFT-LBPRGKRZSA-N 0 0 441.538 2.902 50 0 IFAARN CC(=O)c1ccc(S(=O)(=O)N(CC(=O)N2C[C@H](C)O[C@@H](C)C2)Cc2ccccc2)cc1 ZINC000009316272 569522234 /nfs/dbraw/zinc/52/22/34/569522234.db2.gz BQIPVQGOVHYDFN-ROUUACIJSA-N 0 0 444.553 2.716 50 0 IFAARN C[C@@H]1CCc2nc(NC(=O)c3nn([C@@H]4CCS(=O)(=O)C4)c4c3CCCC4)sc2C1 ZINC000040988234 569523166 /nfs/dbraw/zinc/52/31/66/569523166.db2.gz ISZCLNQQYLQFFO-CHWSQXEVSA-N 0 0 434.587 2.955 50 0 IFAARN CCCCN(C(=O)c1ccccc1Br)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000009336419 569523405 /nfs/dbraw/zinc/52/34/05/569523405.db2.gz UIIWCXNOYHQENP-UHFFFAOYSA-N 0 0 437.338 2.984 50 0 IFAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000009336512 569523411 /nfs/dbraw/zinc/52/34/11/569523411.db2.gz XKYBYGYMXMCVOH-HNNXBMFYSA-N 0 0 436.917 2.693 50 0 IFAARN NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000009336677 569523450 /nfs/dbraw/zinc/52/34/50/569523450.db2.gz ZCYGCPCUZYCOQY-LJQANCHMSA-N 0 0 426.904 2.544 50 0 IFAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009336651 569523480 /nfs/dbraw/zinc/52/34/80/569523480.db2.gz NOQDBYHTFFHUOG-HNNXBMFYSA-N 0 0 444.586 2.960 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1 ZINC000009337176 569523532 /nfs/dbraw/zinc/52/35/32/569523532.db2.gz IETPVQGTRNVYBR-UHFFFAOYSA-N 0 0 427.412 2.642 50 0 IFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 ZINC000009339183 569523738 /nfs/dbraw/zinc/52/37/38/569523738.db2.gz KCKFTXMFDLVSBW-WWMYMODYSA-N 0 0 444.557 2.605 50 0 IFAARN O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009341134 569523882 /nfs/dbraw/zinc/52/38/82/569523882.db2.gz JJVSXKUKWDEISB-KRWDZBQOSA-N 0 0 446.916 2.860 50 0 IFAARN COc1cccc(C(=O)N(CCS(=O)(=O)N2CCCCCC2)Cc2ccncc2)c1 ZINC000009344174 569523938 /nfs/dbraw/zinc/52/39/38/569523938.db2.gz NZVVAKWBXAADHY-UHFFFAOYSA-N 0 0 431.558 2.938 50 0 IFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000009349071 569524615 /nfs/dbraw/zinc/52/46/15/569524615.db2.gz VDCJYALFENUNFI-IBGZPJMESA-N 0 0 437.543 2.568 50 0 IFAARN NC(=O)NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 ZINC000009349036 569524620 /nfs/dbraw/zinc/52/46/20/569524620.db2.gz KNBCSRMIGKJZKF-UHFFFAOYSA-N 0 0 426.479 2.994 50 0 IFAARN COc1ccc2[nH]c(SCC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)nc2c1 ZINC000009349370 569524748 /nfs/dbraw/zinc/52/47/48/569524748.db2.gz BKAIISYWLDKSCX-MRXNPFEDSA-N 0 0 445.566 2.880 50 0 IFAARN Cc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCCC1 ZINC000009364448 569525993 /nfs/dbraw/zinc/52/59/93/569525993.db2.gz VDAHQSMUWSVJAS-UHFFFAOYSA-N 0 0 433.530 2.911 50 0 IFAARN CCn1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc2c1=O ZINC000009364149 569526000 /nfs/dbraw/zinc/52/60/00/569526000.db2.gz VNWQLMANPNIOKL-UHFFFAOYSA-N 0 0 440.525 2.843 50 0 IFAARN Cc1cc(Br)c(NC(=O)CN2CCCC[C@@H]2C(N)=O)c(Br)c1 ZINC000009365481 569526165 /nfs/dbraw/zinc/52/61/65/569526165.db2.gz KZAISCLSWMZUKU-GFCCVEGCSA-N 0 0 433.144 2.798 50 0 IFAARN O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1ccc2c(c1)CC(=O)N2 ZINC000009365945 569526197 /nfs/dbraw/zinc/52/61/97/569526197.db2.gz CYIVPTSTOHLAKW-UHFFFAOYSA-N 0 0 449.536 2.633 50 0 IFAARN COc1ccc(OCC(=O)Nc2nn3c(nnc3-c3ccc(OC)c(OC)c3)s2)cc1 ZINC000041076498 569526460 /nfs/dbraw/zinc/52/64/60/569526460.db2.gz IXGCAECDCMDHCK-UHFFFAOYSA-N 0 0 441.469 2.896 50 0 IFAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000009372945 569527003 /nfs/dbraw/zinc/52/70/03/569527003.db2.gz OYABBZWIJWNYTE-NRFANRHFSA-N 0 0 442.468 2.526 50 0 IFAARN O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000009379070 569527698 /nfs/dbraw/zinc/52/76/98/569527698.db2.gz GKCVBODQSPTJFT-UHFFFAOYSA-N 0 0 431.514 2.683 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)n2)cc1 ZINC000009378867 569527706 /nfs/dbraw/zinc/52/77/06/569527706.db2.gz OMZPGDGQIWSNCM-XMMPIXPASA-N 0 0 443.511 2.962 50 0 IFAARN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2ccc(F)c(N3CCCC3=O)c2)CC1 ZINC000070007224 569527946 /nfs/dbraw/zinc/52/79/46/569527946.db2.gz GCKSIWDIIVRFDR-QGZVFWFLSA-N 0 0 445.539 2.503 50 0 IFAARN CCOC(=O)c1c(NC(=O)c2ccc(C(=O)OC)cc2)sc2c1CCN(C(C)=O)C2 ZINC000009383200 569528315 /nfs/dbraw/zinc/52/83/15/569528315.db2.gz AQKUQCZOUONOIL-UHFFFAOYSA-N 0 0 430.482 2.868 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3cc(C)cc(C)c3)cc2C[C@@H]1C ZINC000009396895 569529239 /nfs/dbraw/zinc/52/92/39/569529239.db2.gz CLMZDRDOQOPNHW-INIZCTEOSA-N 0 0 429.542 2.860 50 0 IFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCCCC4)C3)cc2C[C@H]1C ZINC000009397220 569529310 /nfs/dbraw/zinc/52/93/10/569529310.db2.gz MUUXPLVQQZLZBC-MJGOQNOKSA-N 0 0 447.601 2.787 50 0 IFAARN O=C(NCCCN1CCN(c2ncccn2)CC1)c1cc(Cc2ccccc2)ccc1O ZINC000070037905 569529374 /nfs/dbraw/zinc/52/93/74/569529374.db2.gz DGXJFVLQKAZISJ-UHFFFAOYSA-N 0 0 431.540 2.715 50 0 IFAARN C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1 ZINC000009405079 569529767 /nfs/dbraw/zinc/52/97/67/569529767.db2.gz JQSRTLWQJFOBOO-CQSZACIVSA-N 0 0 432.527 2.765 50 0 IFAARN O=C(CSc1nc2nccnc2c(=O)n1Cc1ccc(F)cc1)NCCc1ccccc1 ZINC000009405326 569529848 /nfs/dbraw/zinc/52/98/48/569529848.db2.gz RHTFZMRGPBQOAV-UHFFFAOYSA-N 0 0 449.511 2.825 50 0 IFAARN CC(C)OCCCn1c(=O)c2nccnc2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000009405367 569529858 /nfs/dbraw/zinc/52/98/58/569529858.db2.gz AHCWEQXHEWIBKS-UHFFFAOYSA-N 0 0 431.493 2.872 50 0 IFAARN COc1ccc(N(CC(=O)Nc2ccc(C)cc2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009408247 569530492 /nfs/dbraw/zinc/53/04/92/569530492.db2.gz DBIBABURPDLQRO-RBUKOAKNSA-N 0 0 445.566 2.717 50 0 IFAARN Cc1cccc(N(CC(=O)Nc2ccc(F)cc2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000009408203 569530523 /nfs/dbraw/zinc/53/05/23/569530523.db2.gz NXMWDCGLXBZRRH-ROUUACIJSA-N 0 0 433.530 2.848 50 0 IFAARN Cc1cc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c2ccc(C(C)C)cc2)n[nH]1 ZINC000009408351 569530543 /nfs/dbraw/zinc/53/05/43/569530543.db2.gz ZVHZDRXJRRTUJN-IRXDYDNUSA-N 0 0 447.586 2.555 50 0 IFAARN COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc(OC)c1OC ZINC000009409819 569531157 /nfs/dbraw/zinc/53/11/57/569531157.db2.gz YEVDZTRHNHFZKQ-UHFFFAOYSA-N 0 0 434.514 2.752 50 0 IFAARN COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)NCCC(C)C)[C@H]5C3=O)nc2c1 ZINC000009410649 569531382 /nfs/dbraw/zinc/53/13/82/569531382.db2.gz NPPRPFRBLXMZIG-VIRVFLBCSA-N 0 0 427.526 2.754 50 0 IFAARN O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000009412752 569531663 /nfs/dbraw/zinc/53/16/63/569531663.db2.gz OTBHGVSDZSSVNM-UHFFFAOYSA-N 0 0 446.486 2.598 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)c2cccc(OC)c2OC)C[S@](=O)C3)cc1 ZINC000009413803 569531834 /nfs/dbraw/zinc/53/18/34/569531834.db2.gz QMMDQCOHNNAWJF-SSEXGKCCSA-N 0 0 427.482 2.913 50 0 IFAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC)c(OC)c2)C[S@](=O)C3)cc1 ZINC000009413951 569531887 /nfs/dbraw/zinc/53/18/87/569531887.db2.gz CVDIZUPDKJIZLR-SSEXGKCCSA-N 0 0 427.482 2.913 50 0 IFAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000009415314 569532169 /nfs/dbraw/zinc/53/21/69/569532169.db2.gz SDEHAMYVZNRKDC-UHFFFAOYSA-N 0 0 447.944 2.838 50 0 IFAARN COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccc5c(c4)OCO5)nn32)cc1 ZINC000009415203 569532193 /nfs/dbraw/zinc/53/21/93/569532193.db2.gz OSENRXSVTWENRL-UHFFFAOYSA-N 0 0 449.492 2.937 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)n2)cc1 ZINC000009417470 569532367 /nfs/dbraw/zinc/53/23/67/569532367.db2.gz KJUGDOWTKCEOEY-QHCPKHFHSA-N 0 0 429.484 2.789 50 0 IFAARN CCC(=O)NC1=NN(C(=O)CC)[C@]2(S1)c1cc(C)ccc1N(Cc1ccncc1)C2=O ZINC000009422471 569532878 /nfs/dbraw/zinc/53/28/78/569532878.db2.gz WRZPCAAAGNIJAV-QFIPXVFZSA-N 0 0 437.525 2.872 50 0 IFAARN CCC(=O)NC1=NN(C(=O)CC)[C@@]2(S1)c1cc(C)ccc1N(Cc1ccncc1)C2=O ZINC000009422470 569532880 /nfs/dbraw/zinc/53/28/80/569532880.db2.gz WRZPCAAAGNIJAV-JOCHJYFZSA-N 0 0 437.525 2.872 50 0 IFAARN Cc1c(N(Cc2ccc(Cl)cc2)S(=O)(=O)N(C)C)c(=O)n(-c2ccccc2)n1C ZINC000009426064 569533254 /nfs/dbraw/zinc/53/32/54/569533254.db2.gz JJPAYPGTUNWTTK-UHFFFAOYSA-N 0 0 434.949 2.951 50 0 IFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 ZINC000009428414 569533546 /nfs/dbraw/zinc/53/35/46/569533546.db2.gz BNQWFBYQJUWALC-FUMNGEBKSA-N 0 0 435.867 2.946 50 0 IFAARN COc1ccc(-c2c3c(c4n2CCO[C@H]4c2ccc(C)cc2O)n(C)c(=O)n(C)c3=O)cc1 ZINC000009430112 569533871 /nfs/dbraw/zinc/53/38/71/569533871.db2.gz QKZHUYZHPJJLJF-QHCPKHFHSA-N 0 0 447.491 2.848 50 0 IFAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)cc1 ZINC000009430773 569533972 /nfs/dbraw/zinc/53/39/72/569533972.db2.gz MFYOKYYBNQHWRW-LJQANCHMSA-N 0 0 439.537 2.554 50 0 IFAARN CCOc1ccc(CCNC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3C)cc1 ZINC000009431300 569534131 /nfs/dbraw/zinc/53/41/31/569534131.db2.gz DAEKWTCHLAWFPD-UHFFFAOYSA-N 0 0 439.541 2.723 50 0 IFAARN Cc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000009432352 569534378 /nfs/dbraw/zinc/53/43/78/569534378.db2.gz WIKRLRCDFMKYEB-UHFFFAOYSA-N 0 0 443.525 2.674 50 0 IFAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1C ZINC000009438560 569534987 /nfs/dbraw/zinc/53/49/87/569534987.db2.gz IENXUKKITSQZFI-MBOZVWFJSA-N 0 0 436.574 2.959 50 0 IFAARN O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccccc1 ZINC000009439986 569535161 /nfs/dbraw/zinc/53/51/61/569535161.db2.gz HTPYDQZWXUBJPA-UHFFFAOYSA-N 0 0 444.553 2.653 50 0 IFAARN O=C(CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)Nc1ccc(F)cc1F ZINC000009440248 569535177 /nfs/dbraw/zinc/53/51/77/569535177.db2.gz UBNDTBRGMMORGS-UHFFFAOYSA-N 0 0 430.816 2.752 50 0 IFAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1F ZINC000009440408 569535194 /nfs/dbraw/zinc/53/51/94/569535194.db2.gz ALJGTQWQZAUKGZ-UHFFFAOYSA-N 0 0 426.853 2.921 50 0 IFAARN O=C(COc1nncc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009441075 569535313 /nfs/dbraw/zinc/53/53/13/569535313.db2.gz RVFVXSNRZFCTFP-UHFFFAOYSA-N 0 0 426.498 2.822 50 0 IFAARN CCOC(=O)c1sc2[nH]c(CSCC(=O)Nc3ccc(OC)nc3)nc(=O)c2c1C ZINC000009441957 569535425 /nfs/dbraw/zinc/53/54/25/569535425.db2.gz NLOWCQBBWQENBP-UHFFFAOYSA-N 0 0 448.526 2.745 50 0 IFAARN COC(=O)c1ccc(CNC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000009441716 569535444 /nfs/dbraw/zinc/53/54/44/569535444.db2.gz XDXKDOKVOQIGOD-UHFFFAOYSA-N 0 0 445.324 2.765 50 0 IFAARN COc1ccc(-c2csc(NC(=O)COC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)n2)cc1 ZINC000009442495 569535528 /nfs/dbraw/zinc/53/55/28/569535528.db2.gz ABWNXQAYJZVPHF-YWZLYKJASA-N 0 0 447.538 2.754 50 0 IFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000009442868 569535633 /nfs/dbraw/zinc/53/56/33/569535633.db2.gz RMWBDBKXPXFZJJ-HXUWFJFHSA-N 0 0 432.432 2.590 50 0 IFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nc(-c3cccs3)no2)C1=O ZINC000009446157 569535863 /nfs/dbraw/zinc/53/58/63/569535863.db2.gz BESDFVCIGTTXDP-NRFANRHFSA-N 0 0 439.497 2.705 50 0 IFAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N[C@H](C)c2cc(OC)ccc2OC)c1C ZINC000009447274 569536034 /nfs/dbraw/zinc/53/60/34/569536034.db2.gz XKGKSGRCRJTODH-CYBMUJFWSA-N 0 0 432.473 2.860 50 0 IFAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)CCS(=O)(=O)c1ccccc1 ZINC000009448529 569536050 /nfs/dbraw/zinc/53/60/50/569536050.db2.gz DYHAOTDHACDGBM-UHFFFAOYSA-N 0 0 435.527 2.637 50 0 IFAARN C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCc1ccccc1 ZINC000009448794 569536127 /nfs/dbraw/zinc/53/61/27/569536127.db2.gz DHJHDWGJUIOZEX-FCORRRHLSA-N 0 0 437.565 2.899 50 0 IFAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000009460273 569536945 /nfs/dbraw/zinc/53/69/45/569536945.db2.gz JJZZYGWZMJORKZ-KRWDZBQOSA-N 0 0 431.583 2.584 50 0 IFAARN COc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000009463703 569537474 /nfs/dbraw/zinc/53/74/74/569537474.db2.gz RRJAWDPNEJCRDW-UHFFFAOYSA-N 0 0 443.525 2.624 50 0 IFAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1nccnc1N ZINC000009464510 569537664 /nfs/dbraw/zinc/53/76/64/569537664.db2.gz SKOAJMKQQUOUOJ-UHFFFAOYSA-N 0 0 432.483 2.821 50 0 IFAARN COc1cccc(-n2ccnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000009464690 569537746 /nfs/dbraw/zinc/53/77/46/569537746.db2.gz ZHHHZPQTKIEKMW-UHFFFAOYSA-N 0 0 426.498 2.551 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc3c(c2)nnn3CC)cc1 ZINC000009467203 569538300 /nfs/dbraw/zinc/53/83/00/569538300.db2.gz QCGMBAUKWHPTGB-OAHLLOKOSA-N 0 0 429.546 2.973 50 0 IFAARN Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2n1 ZINC000009467255 569538367 /nfs/dbraw/zinc/53/83/67/569538367.db2.gz BAEVPLAMOHSNBL-KRWDZBQOSA-N 0 0 444.582 2.751 50 0 IFAARN Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2n1 ZINC000009467253 569538415 /nfs/dbraw/zinc/53/84/15/569538415.db2.gz BAEVPLAMOHSNBL-QGZVFWFLSA-N 0 0 444.582 2.751 50 0 IFAARN Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000009467552 569538465 /nfs/dbraw/zinc/53/84/65/569538465.db2.gz VGFURWSEOLHSAI-WNSKOXEYSA-N 0 0 425.533 2.598 50 0 IFAARN C[C@@H](c1nnc(SCC(=O)N2CCNC2=O)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009469445 569538776 /nfs/dbraw/zinc/53/87/76/569538776.db2.gz DCGKGNHQOVJJCX-AWEZNQCLSA-N 0 0 432.525 2.597 50 0 IFAARN COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000009469873 569538856 /nfs/dbraw/zinc/53/88/56/569538856.db2.gz IFXCVBOQNYHBMX-UHFFFAOYSA-N 0 0 441.509 2.759 50 0 IFAARN Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000009476836 569539089 /nfs/dbraw/zinc/53/90/89/569539089.db2.gz FFSRDTVTDKNCCX-KRWDZBQOSA-N 0 0 437.496 2.992 50 0 IFAARN COc1ccc(-c2csc(NC(=O)CSc3nnnn3C[C@@H]3CCCO3)n2)cc1 ZINC000009478144 569539311 /nfs/dbraw/zinc/53/93/11/569539311.db2.gz XXWWJOUSXBQYOE-AWEZNQCLSA-N 0 0 432.531 2.715 50 0 IFAARN Cc1nn(C)c(C)c1NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000009494016 569540834 /nfs/dbraw/zinc/54/08/34/569540834.db2.gz AWRCNIWXZRQUOV-XMMPIXPASA-N 0 0 431.496 2.665 50 0 IFAARN O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccc2c(c1)OCCCO2 ZINC000009494309 569540843 /nfs/dbraw/zinc/54/08/43/569540843.db2.gz UYVYXANEVNHTFA-UHFFFAOYSA-N 0 0 435.415 2.521 50 0 IFAARN CSc1cccc(N2C[C@@H](C(=O)OCc3cc(=O)n4c(C)csc4n3)CC2=O)c1 ZINC000009494210 569540855 /nfs/dbraw/zinc/54/08/55/569540855.db2.gz YSGVDSWODYNUEW-ZDUSSCGKSA-N 0 0 429.523 2.883 50 0 IFAARN COc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C2CC2)cc1 ZINC000009495628 569541117 /nfs/dbraw/zinc/54/11/17/569541117.db2.gz OLWPTOGWJIHJNZ-UHFFFAOYSA-N 0 0 447.557 2.892 50 0 IFAARN CC(=O)N(c1nc(COC(=O)CCCN2C(=O)NC(C)(C)C2=O)cs1)c1ccccc1 ZINC000009498612 569541390 /nfs/dbraw/zinc/54/13/90/569541390.db2.gz WWWLLYRTQPNMOY-UHFFFAOYSA-N 0 0 444.513 2.982 50 0 IFAARN O=C(CNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(F)cc1Cl ZINC000009499964 569541479 /nfs/dbraw/zinc/54/14/79/569541479.db2.gz ZBWWFLNMYLQIFY-UHFFFAOYSA-N 0 0 448.907 2.884 50 0 IFAARN CCc1ccc(-c2nc(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)n[nH]2)cc1 ZINC000009500496 569541558 /nfs/dbraw/zinc/54/15/58/569541558.db2.gz MREAZBOJFQSOOS-QGZVFWFLSA-N 0 0 436.603 2.798 50 0 IFAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)n1nc(-c2cccs2)oc1=O ZINC000009501320 569541611 /nfs/dbraw/zinc/54/16/11/569541611.db2.gz JLJKHVZBZWCKDT-ZDUSSCGKSA-N 0 0 448.526 2.549 50 0 IFAARN O=C(c1cc(C2CC2)on1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000009502683 569541705 /nfs/dbraw/zinc/54/17/05/569541705.db2.gz UVLHTFCDOYFCDH-UHFFFAOYSA-N 0 0 429.420 2.718 50 0 IFAARN Cc1cccc(-n2nnnc2SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 ZINC000009506898 569541885 /nfs/dbraw/zinc/54/18/85/569541885.db2.gz ZBCPIYPZNKSMKT-LBPRGKRZSA-N 0 0 442.570 2.987 50 0 IFAARN C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccnc4)n3C)c2C(N)=O)C1 ZINC000009507032 569541925 /nfs/dbraw/zinc/54/19/25/569541925.db2.gz IRMMSGMCAHPRAM-LLVKDONJSA-N 0 0 442.570 2.893 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 ZINC000009507558 569542090 /nfs/dbraw/zinc/54/20/90/569542090.db2.gz AMMYVETWCIPCQI-UHFFFAOYSA-N 0 0 448.574 2.502 50 0 IFAARN Cc1ccc(Cl)c(OCC(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000009507856 569542210 /nfs/dbraw/zinc/54/22/10/569542210.db2.gz QBEOEWZDRYSRCE-UHFFFAOYSA-N 0 0 434.832 2.690 50 0 IFAARN COCCCNC(=O)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC(C)C ZINC000009509536 569542607 /nfs/dbraw/zinc/54/26/07/569542607.db2.gz IRPUINOXYHYSDE-UHFFFAOYSA-N 0 0 440.591 2.685 50 0 IFAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)c1c[nH]c2ccccc21 ZINC000009513274 569543119 /nfs/dbraw/zinc/54/31/19/569543119.db2.gz BYFWAHYGBNCDRA-AWEZNQCLSA-N 0 0 431.539 2.947 50 0 IFAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000009514388 569543229 /nfs/dbraw/zinc/54/32/29/569543229.db2.gz LTHJTSYEWGBUKB-UHFFFAOYSA-N 0 0 436.512 2.744 50 0 IFAARN C[C@@H]1Cn2c3c(nc2N(C2CCCCC2)C1)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000009519149 569544245 /nfs/dbraw/zinc/54/42/45/569544245.db2.gz HSGFLPVTDXWZAJ-HNNXBMFYSA-N 0 0 425.508 2.873 50 0 IFAARN Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4Cc3ccccc3)n(C)c2=O)c1 ZINC000009519114 569544252 /nfs/dbraw/zinc/54/42/52/569544252.db2.gz GAEKKJAEIQMOTM-SFHVURJKSA-N 0 0 429.524 2.910 50 0 IFAARN Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4CCc3ccccc3)n(C)c2=O)c1 ZINC000009519132 569544261 /nfs/dbraw/zinc/54/42/61/569544261.db2.gz SROQKGDFUQCJFG-IBGZPJMESA-N 0 0 443.551 2.952 50 0 IFAARN O=C(Cn1cc(S(=O)(=O)CC(=O)N2CCCCCC2)c2ccccc21)N1CCCCC1 ZINC000009519670 569544301 /nfs/dbraw/zinc/54/43/01/569544301.db2.gz DUFFJQAFDIPMGH-UHFFFAOYSA-N 0 0 445.585 2.830 50 0 IFAARN COc1ccc(CCNC(=O)COC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000009520033 569544358 /nfs/dbraw/zinc/54/43/58/569544358.db2.gz GIZIIOAHCBDAKU-UHFFFAOYSA-N 0 0 435.402 2.966 50 0 IFAARN CCOC(=O)c1c2c(sc1NC(=O)Cc1ccc3c(c1)OCO3)CN(C(C)=O)CC2 ZINC000009521524 569544416 /nfs/dbraw/zinc/54/44/16/569544416.db2.gz HFMQCRYDGOSPMJ-UHFFFAOYSA-N 0 0 430.482 2.739 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(Br)cc2)CCC3)n1 ZINC000009520909 569544445 /nfs/dbraw/zinc/54/44/45/569544445.db2.gz PHGAGWLXXWLEQN-UHFFFAOYSA-N 0 0 442.317 2.936 50 0 IFAARN Cc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)cc1C ZINC000009526047 569544504 /nfs/dbraw/zinc/54/45/04/569544504.db2.gz DXRCJWUULYCIQZ-UHFFFAOYSA-N 0 0 426.542 2.902 50 0 IFAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000009534818 569545518 /nfs/dbraw/zinc/54/55/18/569545518.db2.gz ZWYFPNUPXMEMHM-UHFFFAOYSA-N 0 0 434.456 2.624 50 0 IFAARN C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1 ZINC000009545160 569546064 /nfs/dbraw/zinc/54/60/64/569546064.db2.gz GKQRAUIPKQAHIS-ZDUSSCGKSA-N 0 0 436.555 2.919 50 0 IFAARN COc1ccc([C@@H]2[C@H](O)C(c3c[nH]c4ccccc43)=NN2C(=O)Cn2ccsc2=N)cc1 ZINC000009545920 569546171 /nfs/dbraw/zinc/54/61/71/569546171.db2.gz YNKDDXCBKDHISJ-FGZHOGPDSA-N 0 0 447.520 2.868 50 0 IFAARN COc1ccc([C@H]2[C@H](O)C(c3c[nH]c4ccccc43)=NN2C(=O)Cn2ccsc2=N)cc1 ZINC000009545921 569546203 /nfs/dbraw/zinc/54/62/03/569546203.db2.gz YNKDDXCBKDHISJ-FCHUYYIVSA-N 0 0 447.520 2.868 50 0 IFAARN CCOC(=O)c1ccc2c(c1)nc(SCC1=C(C(=O)OCC)[C@H](C)NC(=O)N1)n2CC ZINC000009546062 569546221 /nfs/dbraw/zinc/54/62/21/569546221.db2.gz ZRVBODTUPYULHU-LBPRGKRZSA-N 0 0 446.529 2.844 50 0 IFAARN Cc1cc(C(=O)Cn2c(=O)c(F)cn([C@H]3CCCO3)c2=O)c(C)n1Cc1cccs1 ZINC000009548862 569546548 /nfs/dbraw/zinc/54/65/48/569546548.db2.gz FQUQKXMHXWYEDN-LJQANCHMSA-N 0 0 431.489 2.869 50 0 IFAARN Cc1c(NC2=NN=C(c3ccc4c(c3)CC(=O)N4C)CS2)c(=O)n(-c2ccccc2)n1C ZINC000009548902 569546576 /nfs/dbraw/zinc/54/65/76/569546576.db2.gz XUKOLMZXQLQBLQ-UHFFFAOYSA-N 0 0 446.536 2.922 50 0 IFAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000009549403 569546615 /nfs/dbraw/zinc/54/66/15/569546615.db2.gz IEFYSOOEGKZLEC-LJQANCHMSA-N 0 0 443.525 2.523 50 0 IFAARN COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009549957 569546683 /nfs/dbraw/zinc/54/66/83/569546683.db2.gz FBDMJPLAUYPING-UHFFFAOYSA-N 0 0 446.525 2.721 50 0 IFAARN Cc1cc(C)c(C(=O)[C@H](C)OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1C ZINC000009551223 569546702 /nfs/dbraw/zinc/54/67/02/569546702.db2.gz OUDUDTIOUMMILH-INIZCTEOSA-N 0 0 428.510 2.855 50 0 IFAARN C[C@@H](C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1C(=O)c2ccccc2C1=O ZINC000009561801 569547176 /nfs/dbraw/zinc/54/71/76/569547176.db2.gz WDMUNWBFEAUQQN-NSHDSACASA-N 0 0 437.477 2.591 50 0 IFAARN CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1 ZINC000009566871 569547365 /nfs/dbraw/zinc/54/73/65/569547365.db2.gz YYYLKFGEMAMMQG-ZDUSSCGKSA-N 0 0 449.558 2.961 50 0 IFAARN COc1ccc(/C=C/C(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1OC ZINC000009563086 569547376 /nfs/dbraw/zinc/54/73/76/569547376.db2.gz CCUJSOWJGYNURO-JXMROGBWSA-N 0 0 445.479 3.000 50 0 IFAARN CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1 ZINC000009575639 569547995 /nfs/dbraw/zinc/54/79/95/569547995.db2.gz KFXGGKWJUDLCRB-INIZCTEOSA-N 0 0 440.518 2.636 50 0 IFAARN COc1cccc(NC(=O)CCNC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000009575891 569547996 /nfs/dbraw/zinc/54/79/96/569547996.db2.gz BUDBUPIYSCCWNA-UHFFFAOYSA-N 0 0 449.511 2.673 50 0 IFAARN CCOc1ccccc1NC(=O)c1sc(Nc2ccccc2OC)c(C(N)=O)c1N ZINC000009579968 569548621 /nfs/dbraw/zinc/54/86/21/569548621.db2.gz ZRWQUZSIMRKMGN-GOSISDBHSA-N 0 0 426.498 2.977 50 0 IFAARN Cc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)s2)no1 ZINC000070634983 569548654 /nfs/dbraw/zinc/54/86/54/569548654.db2.gz MJVPBSMABDYYFX-UHFFFAOYSA-N 0 0 433.471 2.589 50 0 IFAARN CCC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1)C1CC1 ZINC000009580197 569548739 /nfs/dbraw/zinc/54/87/39/569548739.db2.gz UXJBGBNKMISUBT-SECBINFHSA-N 0 0 432.531 2.732 50 0 IFAARN NC(=O)c1ccc(-c2nnn(CC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)n2)cc1 ZINC000009580305 569548757 /nfs/dbraw/zinc/54/87/57/569548757.db2.gz FAERCWMRTIFBSH-LJQANCHMSA-N 0 0 436.472 2.545 50 0 IFAARN O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000070640266 569549099 /nfs/dbraw/zinc/54/90/99/569549099.db2.gz QGDMSIPIMSSXPI-QGZVFWFLSA-N 0 0 435.402 2.621 50 0 IFAARN Cc1ccc(C)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 ZINC000009586311 569549671 /nfs/dbraw/zinc/54/96/71/569549671.db2.gz UXYMWEANOIPEHV-UHFFFAOYSA-N 0 0 431.510 2.672 50 0 IFAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCSCc1ccco1 ZINC000009587058 569549745 /nfs/dbraw/zinc/54/97/45/569549745.db2.gz IPKMROJBWLHZNF-MRXNPFEDSA-N 0 0 446.591 2.868 50 0 IFAARN O=c1cc(-c2ccccc2)ncn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000070655850 569550053 /nfs/dbraw/zinc/55/00/53/569550053.db2.gz WYQNGDCJWATHHY-UHFFFAOYSA-N 0 0 439.415 2.787 50 0 IFAARN Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)NCc4ccc5c(c4)OCO5)C3)ncn2)n1 ZINC000070656046 569550119 /nfs/dbraw/zinc/55/01/19/569550119.db2.gz GDBPKNVXFGUEMJ-SFHVURJKSA-N 0 0 434.500 2.541 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2c(C)noc2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000009591578 569550185 /nfs/dbraw/zinc/55/01/85/569550185.db2.gz RTXUTDBEUVPDDZ-QGZVFWFLSA-N 0 0 433.848 2.973 50 0 IFAARN Cc1c(NC(=O)[C@@H](C)Sc2nnc3n2CCCCC3)c(=O)n(-c2ccccc2)n1C ZINC000009592973 569550408 /nfs/dbraw/zinc/55/04/08/569550408.db2.gz OBMARVXIJBBQGZ-OAHLLOKOSA-N 0 0 426.546 2.922 50 0 IFAARN COc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3OC)c2=O)c1 ZINC000009598584 569551079 /nfs/dbraw/zinc/55/10/79/569551079.db2.gz LFTOMJSRSYWYBL-UHFFFAOYSA-N 0 0 437.477 2.870 50 0 IFAARN CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009608458 569552126 /nfs/dbraw/zinc/55/21/26/569552126.db2.gz OZGBUTUETSBMMA-UHFFFAOYSA-N 0 0 425.869 2.623 50 0 IFAARN COc1ccc(NC(=O)c2nnn(Cc3cccc(Br)c3)c2N)c(OC)c1 ZINC000009608596 569552192 /nfs/dbraw/zinc/55/21/92/569552192.db2.gz SUSQPWPKZMIDDZ-UHFFFAOYSA-N 0 0 432.278 2.941 50 0 IFAARN CC(C)c1ccc(-c2noc(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)n2)cc1 ZINC000009609002 569552265 /nfs/dbraw/zinc/55/22/65/569552265.db2.gz WYROLXXDJCEHJW-UHFFFAOYSA-N 0 0 428.514 2.855 50 0 IFAARN COc1ccc(-n2nnnc2SCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000009612595 569552848 /nfs/dbraw/zinc/55/28/48/569552848.db2.gz FQHQKDRGJAINKU-UHFFFAOYSA-N 0 0 445.302 2.734 50 0 IFAARN CCCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000009613980 569553094 /nfs/dbraw/zinc/55/30/94/569553094.db2.gz OVTOOPWAKRWZOG-FUHWJXTLSA-N 0 0 426.966 2.618 50 0 IFAARN COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)NC(C)(C)C)n2C)C(C)C)cc1 ZINC000009615121 569553130 /nfs/dbraw/zinc/55/31/30/569553130.db2.gz GFKFWOVAGRTRML-QGZVFWFLSA-N 0 0 433.578 2.958 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1 ZINC000009616623 569553287 /nfs/dbraw/zinc/55/32/87/569553287.db2.gz DVAULKXATLXYDD-SFHVURJKSA-N 0 0 442.483 2.650 50 0 IFAARN CCOC(=O)C1=C(COC(=O)c2cc(OC)ccc2OC)NC(=O)N[C@H]1c1ccccc1 ZINC000009618757 569553353 /nfs/dbraw/zinc/55/33/53/569553353.db2.gz BZNVMOQAOOUIKU-FQEVSTJZSA-N 0 0 440.452 2.732 50 0 IFAARN C[C@@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)c1cccs1 ZINC000009619789 569553425 /nfs/dbraw/zinc/55/34/25/569553425.db2.gz PVOJWPSZMUSBHN-CQSZACIVSA-N 0 0 449.554 2.708 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000009632473 569554003 /nfs/dbraw/zinc/55/40/03/569554003.db2.gz BGOGVUWUZHPGOU-CQSZACIVSA-N 0 0 438.933 2.940 50 0 IFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000009633760 569554330 /nfs/dbraw/zinc/55/43/30/569554330.db2.gz XWLRWGBDKPVMLL-GOSISDBHSA-N 0 0 432.498 2.648 50 0 IFAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)C1 ZINC000009635051 569554555 /nfs/dbraw/zinc/55/45/55/569554555.db2.gz WTADAIOXZGONIQ-DLBZAZTESA-N 0 0 433.574 2.837 50 0 IFAARN O=C(CCc1cccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009635455 569554697 /nfs/dbraw/zinc/55/46/97/569554697.db2.gz PNDYEOQKHKBZRC-UHFFFAOYSA-N 0 0 449.598 2.941 50 0 IFAARN CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccc3c(c2)CCCC3)NC(=O)N[C@@H]1C ZINC000009637075 569554778 /nfs/dbraw/zinc/55/47/78/569554778.db2.gz KHMRJFWEWFXQRU-CQSZACIVSA-N 0 0 428.485 2.590 50 0 IFAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009639933 569555255 /nfs/dbraw/zinc/55/52/55/569555255.db2.gz DIYVGDJGURQVLF-CQSZACIVSA-N 0 0 426.897 2.780 50 0 IFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)c1cc(OC)ccc1OC ZINC000009640343 569555423 /nfs/dbraw/zinc/55/54/23/569555423.db2.gz LRQUVCOKEMELBL-UHFFFAOYSA-N 0 0 435.527 2.696 50 0 IFAARN C[C@H]1Cc2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc2N1S(C)(=O)=O ZINC000009642282 569555782 /nfs/dbraw/zinc/55/57/82/569555782.db2.gz MCPPREDRQSQFHK-KRWDZBQOSA-N 0 0 447.601 2.652 50 0 IFAARN CCCCn1c(=O)[nH]c(=O)c2c1nc(CCc1ccccc1)c(=O)n2Cc1ccccc1 ZINC000009643899 569555969 /nfs/dbraw/zinc/55/59/69/569555969.db2.gz ZPYDMYAVPDTFER-UHFFFAOYSA-N 0 0 430.508 2.880 50 0 IFAARN COc1ccc(C[C@H](NC(=O)CCN2C(=O)NC(C)(C)C2=O)c2ccc(OC)cc2)cc1 ZINC000009645884 569556174 /nfs/dbraw/zinc/55/61/74/569556174.db2.gz REJVQGITRWIAEN-FQEVSTJZSA-N 0 0 439.512 2.824 50 0 IFAARN COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)c3ccc(OC)cc3)c2=O)cc1 ZINC000009660614 569556889 /nfs/dbraw/zinc/55/68/89/569556889.db2.gz NQWIBLIDFSCKHX-UHFFFAOYSA-N 0 0 431.448 2.507 50 0 IFAARN COc1cc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc(OC)c1OC ZINC000009660880 569556941 /nfs/dbraw/zinc/55/69/41/569556941.db2.gz CIQGRFYLIPFDNQ-UHFFFAOYSA-N 0 0 427.432 2.505 50 0 IFAARN O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000009665231 569557504 /nfs/dbraw/zinc/55/75/04/569557504.db2.gz UNIMAFUPUCVDDN-QFIPXVFZSA-N 0 0 445.560 2.716 50 0 IFAARN COc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1S(=O)(=O)N1CCCC1 ZINC000009669707 569558102 /nfs/dbraw/zinc/55/81/02/569558102.db2.gz JIFAMMKEZKPVEJ-UHFFFAOYSA-N 0 0 443.525 2.859 50 0 IFAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)s1 ZINC000009673910 569559022 /nfs/dbraw/zinc/55/90/22/569559022.db2.gz CHVCZLOEYVNWER-UHFFFAOYSA-N 0 0 442.885 2.683 50 0 IFAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCc3cccc(C)c3)ccc21 ZINC000009677350 569559564 /nfs/dbraw/zinc/55/95/64/569559564.db2.gz NMSAVKVHRBWZMO-UHFFFAOYSA-N 0 0 428.554 2.817 50 0 IFAARN Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(Br)cc3)c2N)cc1 ZINC000009678085 569559572 /nfs/dbraw/zinc/55/95/72/569559572.db2.gz XDUIZCHKMNNYQE-UHFFFAOYSA-N 0 0 429.278 2.822 50 0 IFAARN COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009677475 569559574 /nfs/dbraw/zinc/55/95/74/569559574.db2.gz NRTSYUQENMIABH-UHFFFAOYSA-N 0 0 432.527 2.739 50 0 IFAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(Br)cc3)c2N)cc1 ZINC000009678089 569559588 /nfs/dbraw/zinc/55/95/88/569559588.db2.gz DIKPSDUWHODJMH-UHFFFAOYSA-N 0 0 445.277 2.522 50 0 IFAARN O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009684143 569560479 /nfs/dbraw/zinc/56/04/79/569560479.db2.gz FSBJRROORPUNRI-GOSISDBHSA-N 0 0 430.526 2.821 50 0 IFAARN CCOc1ccc(NC(=O)[C@H]2C[C@@H](OC(C)=O)CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009684107 569560513 /nfs/dbraw/zinc/56/05/13/569560513.db2.gz FPLTUCHYWLSBFF-TZIWHRDSSA-N 0 0 446.525 2.727 50 0 IFAARN CCOc1ccc(NC(=O)[C@@H]2C[C@H](OC(C)=O)CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009684101 569560516 /nfs/dbraw/zinc/56/05/16/569560516.db2.gz FPLTUCHYWLSBFF-FPOVZHCZSA-N 0 0 446.525 2.727 50 0 IFAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009684403 569560544 /nfs/dbraw/zinc/56/05/44/569560544.db2.gz LHAQNQRUFUDKCZ-UHFFFAOYSA-N 0 0 442.566 2.958 50 0 IFAARN CCOC(=O)C1=C(COC(=O)Cc2csc(-c3cccc(C)c3)n2)NC(=O)N[C@H]1C ZINC000009684587 569560593 /nfs/dbraw/zinc/56/05/93/569560593.db2.gz QMHNOGLZTIEAQI-ZDUSSCGKSA-N 0 0 429.498 2.723 50 0 IFAARN Cc1csc2nc(COC(=O)[C@@H](NC(=O)c3c(F)cccc3F)C(C)C)cc(=O)n12 ZINC000009690678 569560978 /nfs/dbraw/zinc/56/09/78/569560978.db2.gz KVQJNGKQYYVTFA-KRWDZBQOSA-N 0 0 435.452 2.840 50 0 IFAARN CC(C)CN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000009691117 569560990 /nfs/dbraw/zinc/56/09/90/569560990.db2.gz YKUCIOYZHCNIOP-SFHVURJKSA-N 0 0 448.614 2.909 50 0 IFAARN CC[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000009693180 569561156 /nfs/dbraw/zinc/56/11/56/569561156.db2.gz FCIYPIXHLMWPSM-QGZVFWFLSA-N 0 0 429.952 2.900 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000009699453 569561231 /nfs/dbraw/zinc/56/12/31/569561231.db2.gz OSJKCUUDLOJGFM-UHFFFAOYSA-N 0 0 440.905 2.785 50 0 IFAARN Cc1ccc(C)c(CN2N=C(c3ccc(F)cc3)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000009707549 569561542 /nfs/dbraw/zinc/56/15/42/569561542.db2.gz QCYZBWBFLRMEJY-UHFFFAOYSA-N 0 0 446.486 2.614 50 0 IFAARN COc1ccccc1CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 ZINC000009708129 569561832 /nfs/dbraw/zinc/56/18/32/569561832.db2.gz LLDVOPJCGAJYPT-OAQYLSRUSA-N 0 0 433.508 2.867 50 0 IFAARN Cc1oc(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009712061 569562115 /nfs/dbraw/zinc/56/21/15/569562115.db2.gz FRCLZEBZBHXMPL-UHFFFAOYSA-N 0 0 425.510 2.938 50 0 IFAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3-n3cnnn3)n2)s1 ZINC000009712114 569562145 /nfs/dbraw/zinc/56/21/45/569562145.db2.gz QBIUHUWBIDSQMN-UHFFFAOYSA-N 0 0 425.499 2.736 50 0 IFAARN Nc1c(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(=O)[nH]c(=O)n1C1CC1 ZINC000009712729 569562373 /nfs/dbraw/zinc/56/23/73/569562373.db2.gz WYJXEMVROHUYLT-UHFFFAOYSA-N 0 0 433.493 2.768 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000009714506 569562776 /nfs/dbraw/zinc/56/27/76/569562776.db2.gz GKRYGUZIWTYXJB-UHFFFAOYSA-N 0 0 434.481 2.740 50 0 IFAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1OC ZINC000009715371 569563113 /nfs/dbraw/zinc/56/31/13/569563113.db2.gz UQAFZAQYFYJUCK-GJZGRUSLSA-N 0 0 434.514 2.754 50 0 IFAARN CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000009721722 569563364 /nfs/dbraw/zinc/56/33/64/569563364.db2.gz WVRHXOWTWBHTPT-UHFFFAOYSA-N 0 0 440.521 2.991 50 0 IFAARN CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(c3ccc(C)nn3)CC2)c(C)c1 ZINC000070922885 569563496 /nfs/dbraw/zinc/56/34/96/569563496.db2.gz OTGMZMFZPLFSBI-UHFFFAOYSA-N 0 0 431.562 2.637 50 0 IFAARN CCc1nn2c(nc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)cc2=O)s1 ZINC000009726348 569563860 /nfs/dbraw/zinc/56/38/60/569563860.db2.gz WNSWZIJOJZBWJG-ZDUSSCGKSA-N 0 0 429.483 2.901 50 0 IFAARN CNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3cccc(F)c3)c2=O)CC1 ZINC000009725832 569563892 /nfs/dbraw/zinc/56/38/92/569563892.db2.gz NQKJNLSCKKLCKL-UHFFFAOYSA-N 0 0 429.517 2.965 50 0 IFAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000009726538 569563953 /nfs/dbraw/zinc/56/39/53/569563953.db2.gz LAIXSIIEEYVOLU-UHFFFAOYSA-N 0 0 437.525 2.814 50 0 IFAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000009731557 569564621 /nfs/dbraw/zinc/56/46/21/569564621.db2.gz YNQUDYHZVYWBDF-CYBMUJFWSA-N 0 0 428.967 2.662 50 0 IFAARN CCc1ccc(CN(C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000009733528 569564748 /nfs/dbraw/zinc/56/47/48/569564748.db2.gz AAAVLEWBDWKEDJ-UHFFFAOYSA-N 0 0 437.587 2.673 50 0 IFAARN O=C(CSc1nnc(-c2cccnc2)o1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009737463 569564813 /nfs/dbraw/zinc/56/48/13/569564813.db2.gz OBXIPPYVPHKLAS-UHFFFAOYSA-N 0 0 445.526 2.647 50 0 IFAARN NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 ZINC000009739517 569564992 /nfs/dbraw/zinc/56/49/92/569564992.db2.gz LKLRBUPUIYWTEP-UHFFFAOYSA-N 0 0 444.234 2.910 50 0 IFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnnn2C2CC2)c1 ZINC000009740103 569565057 /nfs/dbraw/zinc/56/50/57/569565057.db2.gz SZJFZOBDYJPDDJ-UHFFFAOYSA-N 0 0 444.542 2.564 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000009742925 569565430 /nfs/dbraw/zinc/56/54/30/569565430.db2.gz PGFAFIUASPOXDJ-IBGZPJMESA-N 0 0 429.542 2.683 50 0 IFAARN Cc1ccc(C)c(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 ZINC000009743619 569565465 /nfs/dbraw/zinc/56/54/65/569565465.db2.gz URRBIZJQYNRSHE-IBGZPJMESA-N 0 0 443.569 2.992 50 0 IFAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000009743270 569565468 /nfs/dbraw/zinc/56/54/68/569565468.db2.gz UFDBINPBBBMRBI-SFHVURJKSA-N 0 0 433.505 2.514 50 0 IFAARN O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C1=Cc2ccccc2OC1 ZINC000009748837 569565944 /nfs/dbraw/zinc/56/59/44/569565944.db2.gz VWACCSLVZWQGEK-UHFFFAOYSA-N 0 0 425.444 2.989 50 0 IFAARN CC[C@@]1(C)NC(=O)N(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1=O ZINC000009750927 569566037 /nfs/dbraw/zinc/56/60/37/569566037.db2.gz VZDMPIJZMQTRLF-HTAPYJJXSA-N 0 0 442.903 2.953 50 0 IFAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1cccc(C(C)=O)c1 ZINC000009761872 569566394 /nfs/dbraw/zinc/56/63/94/569566394.db2.gz DHPDXGZQNSTECJ-UHFFFAOYSA-N 0 0 435.436 2.629 50 0 IFAARN O=C(NCc1cccnc1)[C@@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O ZINC000009763622 569566646 /nfs/dbraw/zinc/56/66/46/569566646.db2.gz XCBFPAGTMLSLLK-GOSISDBHSA-N 0 0 426.270 2.746 50 0 IFAARN C[C@@H]1Cc2cc(C(=O)CSc3nnc(-c4cccnc4)n3C)ccc2N1S(C)(=O)=O ZINC000009767599 569566958 /nfs/dbraw/zinc/56/69/58/569566958.db2.gz BCLYWNKDFOBFIL-CYBMUJFWSA-N 0 0 443.554 2.563 50 0 IFAARN Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)n2)cc1 ZINC000009778982 569567293 /nfs/dbraw/zinc/56/72/93/569567293.db2.gz SPSBFWKTWICITJ-OAQYLSRUSA-N 0 0 435.513 2.851 50 0 IFAARN CCn1nnc2cc(C(=O)NN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)ccc21 ZINC000009782012 569567655 /nfs/dbraw/zinc/56/76/55/569567655.db2.gz MISOHQRTCGIKMX-UHFFFAOYSA-N 0 0 440.463 2.592 50 0 IFAARN NS(=O)(=O)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)cc1 ZINC000009784636 569567904 /nfs/dbraw/zinc/56/79/04/569567904.db2.gz YTLKFMKVRWBXQI-UHFFFAOYSA-N 0 0 431.499 2.616 50 0 IFAARN O=C(CCn1nc(-c2cccs2)oc1=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000009789101 569568075 /nfs/dbraw/zinc/56/80/75/569568075.db2.gz GHOZZNVXXUTDGS-UHFFFAOYSA-N 0 0 426.498 2.832 50 0 IFAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(CCNC(C)=O)cc2)C1=O ZINC000009789737 569568150 /nfs/dbraw/zinc/56/81/50/569568150.db2.gz ROSWTVBHHQEJOE-QHCPKHFHSA-N 0 0 425.460 2.544 50 0 IFAARN CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000009791384 569568204 /nfs/dbraw/zinc/56/82/04/569568204.db2.gz HBRDXVCHXGNFBI-XOBRGWDASA-N 0 0 433.530 2.863 50 0 IFAARN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000009806300 569568884 /nfs/dbraw/zinc/56/88/84/569568884.db2.gz CTLRUXTUGWDUIG-FQEVSTJZSA-N 0 0 443.569 2.828 50 0 IFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(C)c2C)cc1 ZINC000009806247 569568909 /nfs/dbraw/zinc/56/89/09/569568909.db2.gz NJQVHULUFJTKAJ-SFHVURJKSA-N 0 0 429.542 2.520 50 0 IFAARN Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000009806321 569568915 /nfs/dbraw/zinc/56/89/15/569568915.db2.gz ASLLBPMGZCGWDM-HXUWFJFHSA-N 0 0 443.569 2.828 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCCC2=CCCCC2)c1 ZINC000009807248 569568982 /nfs/dbraw/zinc/56/89/82/569568982.db2.gz XANWLDFVWRIDGE-FQEVSTJZSA-N 0 0 447.601 2.579 50 0 IFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCCC2=CCCCC2)c1 ZINC000009807244 569569019 /nfs/dbraw/zinc/56/90/19/569569019.db2.gz XANWLDFVWRIDGE-HXUWFJFHSA-N 0 0 447.601 2.579 50 0 IFAARN CCCCNC(=O)COC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000009818044 569569340 /nfs/dbraw/zinc/56/93/40/569569340.db2.gz JDFJSVMVYBBTGJ-UHFFFAOYSA-N 0 0 432.448 2.925 50 0 IFAARN CCOC(=O)c1ccc(NC(=O)c2cn(C)c3c2[nH]c(=O)n(-c2ccc(C)cc2)c3=O)cc1 ZINC000009820819 569569432 /nfs/dbraw/zinc/56/94/32/569569432.db2.gz ORKZXHYTTWCCJD-UHFFFAOYSA-N 0 0 446.463 2.755 50 0 IFAARN O=C(CSCc1ccccc1)NCCn1ncc2c1ncn(Cc1ccccc1)c2=O ZINC000009822685 569569554 /nfs/dbraw/zinc/56/95/54/569569554.db2.gz VMAMLPFZFWAKFF-UHFFFAOYSA-N 0 0 433.537 2.691 50 0 IFAARN CC(=O)Nc1ccc(NC(=O)Cn2c(=O)c3c(nc2-n2nc(C)cc2C)CCCC3)cc1 ZINC000009828815 569569893 /nfs/dbraw/zinc/56/98/93/569569893.db2.gz LDYLEYZRBGLOIR-UHFFFAOYSA-N 0 0 434.500 2.522 50 0 IFAARN Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)NCc2ccccc2Cl)CCCC3)n1 ZINC000009828828 569569911 /nfs/dbraw/zinc/56/99/11/569569911.db2.gz DLMHCJLHXNKWGI-UHFFFAOYSA-N 0 0 425.920 2.894 50 0 IFAARN COc1ccc(NC(=O)Cn2c(=O)c3c(nc2-n2nc(C)cc2C)CCCC3)c(OC)c1 ZINC000009828803 569569923 /nfs/dbraw/zinc/56/99/23/569569923.db2.gz QZGRLBUXMPTYOZ-UHFFFAOYSA-N 0 0 437.500 2.581 50 0 IFAARN COc1ccc(-n2c(C)cn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1 ZINC000009829388 569570056 /nfs/dbraw/zinc/57/00/56/569570056.db2.gz XTXVAMKLNUCTQM-UHFFFAOYSA-N 0 0 429.480 2.812 50 0 IFAARN COc1ccccc1-n1c(C)c(C)n2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C ZINC000009829468 569570080 /nfs/dbraw/zinc/57/00/80/569570080.db2.gz PKCLTJJQEMHIIX-UHFFFAOYSA-N 0 0 429.480 2.812 50 0 IFAARN CCOC(=O)c1sc(NC(=O)COC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)nc1C ZINC000009833611 569570391 /nfs/dbraw/zinc/57/03/91/569570391.db2.gz BZHIEPPDVVNOFC-INIZCTEOSA-N 0 0 447.513 2.565 50 0 IFAARN CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2CO)CC1 ZINC000009835167 569570651 /nfs/dbraw/zinc/57/06/51/569570651.db2.gz XCWCWXIUNRQWJO-UHFFFAOYSA-N 0 0 443.475 2.921 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cc4ccccc4oc3=O)n2)cc1 ZINC000009844404 569570915 /nfs/dbraw/zinc/57/09/15/569570915.db2.gz BGLJFIQHTHHWIV-UHFFFAOYSA-N 0 0 431.448 2.845 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(CC)s3)n2)cc1 ZINC000009844805 569570952 /nfs/dbraw/zinc/57/09/52/569570952.db2.gz OBVRPJTXZGFUOT-UHFFFAOYSA-N 0 0 433.555 2.911 50 0 IFAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(OCC)cc3)n2)cc1 ZINC000009844760 569570968 /nfs/dbraw/zinc/57/09/68/569570968.db2.gz RBXUXSBYRDTHNL-UHFFFAOYSA-N 0 0 443.525 2.686 50 0 IFAARN O=c1c2ccccc2nnn1CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 ZINC000009847271 569571125 /nfs/dbraw/zinc/57/11/25/569571125.db2.gz AJEMJNDPCWQBQX-UHFFFAOYSA-N 0 0 431.543 2.501 50 0 IFAARN Cc1ccc(C(=O)NCCc2ccccc2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@H]2S1 ZINC000009860624 569571832 /nfs/dbraw/zinc/57/18/32/569571832.db2.gz MHEKEANIQYUDEJ-RBUKOAKNSA-N 0 0 429.567 2.648 50 0 IFAARN COc1ccc(CNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1 ZINC000009860652 569571855 /nfs/dbraw/zinc/57/18/55/569571855.db2.gz WNHFMEKWPYEYQQ-RBUKOAKNSA-N 0 0 445.566 2.614 50 0 IFAARN Cc1ccccc1-n1c(SCc2nnnn2-c2ccccc2)nnc1N1CCOCC1 ZINC000009864147 569572091 /nfs/dbraw/zinc/57/20/91/569572091.db2.gz BFCJEBWGQMMZBM-UHFFFAOYSA-N 0 0 434.529 2.680 50 0 IFAARN CCNC(=O)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009865169 569572156 /nfs/dbraw/zinc/57/21/56/569572156.db2.gz SHXFSHMFUVKEMR-GFCCVEGCSA-N 0 0 443.447 2.761 50 0 IFAARN CCNC(=O)[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009865172 569572175 /nfs/dbraw/zinc/57/21/75/569572175.db2.gz SHXFSHMFUVKEMR-LBPRGKRZSA-N 0 0 443.447 2.761 50 0 IFAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009868214 569572261 /nfs/dbraw/zinc/57/22/61/569572261.db2.gz AEAWUFXVXGKZPV-INIZCTEOSA-N 0 0 438.513 2.835 50 0 IFAARN COC(=O)c1c(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)sc2c1CCCC2 ZINC000009891781 569572894 /nfs/dbraw/zinc/57/28/94/569572894.db2.gz KZZBFCSWZVWBAQ-UHFFFAOYSA-N 0 0 440.518 2.957 50 0 IFAARN O=C(Nc1ccccc1N1CCCC1=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000009885489 569572901 /nfs/dbraw/zinc/57/29/01/569572901.db2.gz PLVICBXVZOHLST-KRWDZBQOSA-N 0 0 443.525 2.523 50 0 IFAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)NCCCn3ccnc3)CC2)c(C)c1C ZINC000009915005 569573378 /nfs/dbraw/zinc/57/33/78/569573378.db2.gz QYPQAPGJOFMBNI-UHFFFAOYSA-N 0 0 447.605 2.531 50 0 IFAARN CCn1cc(C(=O)OCC(=O)Nc2ccc(OC)cc2OC)c(=O)c2ccc(C)nc21 ZINC000009940153 569573889 /nfs/dbraw/zinc/57/38/89/569573889.db2.gz FWGNQDMOURKKKW-UHFFFAOYSA-N 0 0 425.441 2.538 50 0 IFAARN Cc1ccccc1-n1cnnc1SCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000009950832 569574371 /nfs/dbraw/zinc/57/43/71/569574371.db2.gz LNBXBWWVJHXFNU-KRWDZBQOSA-N 0 0 434.587 2.626 50 0 IFAARN COc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)cc1 ZINC000009953067 569574708 /nfs/dbraw/zinc/57/47/08/569574708.db2.gz YKVGSELFCMINGY-UHFFFAOYSA-N 0 0 436.468 2.751 50 0 IFAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(OC)cc3OC)c2C)cc1 ZINC000071327032 569575074 /nfs/dbraw/zinc/57/50/74/569575074.db2.gz CEBWBSPHVUWHNN-UHFFFAOYSA-N 0 0 439.472 2.893 50 0 IFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000009959614 569575161 /nfs/dbraw/zinc/57/51/61/569575161.db2.gz MDIVJUZJZCDYOM-HNNXBMFYSA-N 0 0 433.530 2.846 50 0 IFAARN COc1ccc(OC)c(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)c1 ZINC000071327434 569575274 /nfs/dbraw/zinc/57/52/74/569575274.db2.gz WWTLFZBETKSDAN-UHFFFAOYSA-N 0 0 431.399 2.773 50 0 IFAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)nnn1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000071327469 569575345 /nfs/dbraw/zinc/57/53/45/569575345.db2.gz FTKMLAZCEFAXBL-UHFFFAOYSA-N 0 0 441.875 2.846 50 0 IFAARN Cc1ccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc1 ZINC000071328347 569575522 /nfs/dbraw/zinc/57/55/22/569575522.db2.gz CGGFILSGRCTOKL-UHFFFAOYSA-N 0 0 433.424 2.739 50 0 IFAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000009962222 569575661 /nfs/dbraw/zinc/57/56/61/569575661.db2.gz NVHMMCBKACGUKY-CQSZACIVSA-N 0 0 439.493 2.720 50 0 IFAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cc2ccccc2oc1=O ZINC000009963230 569575765 /nfs/dbraw/zinc/57/57/65/569575765.db2.gz JPUUFLINGLXYSB-UHFFFAOYSA-N 0 0 432.523 2.959 50 0 IFAARN CCOCCCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000009963998 569575891 /nfs/dbraw/zinc/57/58/91/569575891.db2.gz QULQZPPEGHHCHV-UHFFFAOYSA-N 0 0 432.546 2.856 50 0 IFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000009969304 569576029 /nfs/dbraw/zinc/57/60/29/569576029.db2.gz SMJFUVHXDSWWOR-SFHVURJKSA-N 0 0 436.436 2.610 50 0 IFAARN CC[C@@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009971551 569576265 /nfs/dbraw/zinc/57/62/65/569576265.db2.gz DEBRKUHIIVXSND-QGZVFWFLSA-N 0 0 429.527 2.695 50 0 IFAARN CC[C@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009971548 569576292 /nfs/dbraw/zinc/57/62/92/569576292.db2.gz DEBRKUHIIVXSND-KRWDZBQOSA-N 0 0 429.527 2.695 50 0 IFAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000009980120 569576468 /nfs/dbraw/zinc/57/64/68/569576468.db2.gz AECQWYADVGEEMG-OAHLLOKOSA-N 0 0 436.555 2.649 50 0 IFAARN Cc1c(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000009986510 569576720 /nfs/dbraw/zinc/57/67/20/569576720.db2.gz NDYVBMPCNJIURN-UHFFFAOYSA-N 0 0 440.544 2.622 50 0 IFAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cn1cnc2sccc2c1=O ZINC000009987982 569576815 /nfs/dbraw/zinc/57/68/15/569576815.db2.gz NMMKBRUGWLICMF-UHFFFAOYSA-N 0 0 443.916 2.787 50 0 IFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCc2ccccc2OC)c1 ZINC000009988794 569576821 /nfs/dbraw/zinc/57/68/21/569576821.db2.gz ZGFUDPHSIJATIB-UHFFFAOYSA-N 0 0 448.541 2.840 50 0 IFAARN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCNc1ccc(Oc2ccccc2)cc1 ZINC000010049297 569577543 /nfs/dbraw/zinc/57/75/43/569577543.db2.gz DJJXPMRLHHPBQV-UHFFFAOYSA-N 0 0 430.468 2.889 50 0 IFAARN COc1ccc(C)cc1-n1c(-c2ccc(F)cc2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000010104602 569577882 /nfs/dbraw/zinc/57/78/82/569577882.db2.gz YDJRUJLZSXZQIZ-UHFFFAOYSA-N 0 0 433.443 2.799 50 0 IFAARN COCCn1c(C)cc2c(c1=O)[C@H](c1ccc(C(F)(F)F)cc1)C(C(=O)OC)=C(N)O2 ZINC000010166090 569578164 /nfs/dbraw/zinc/57/81/64/569578164.db2.gz SJQSNWQQHZATRH-HNNXBMFYSA-N 0 0 438.402 2.690 50 0 IFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c1 ZINC000010187799 569578703 /nfs/dbraw/zinc/57/87/03/569578703.db2.gz BGWQYILRNDUVHN-UHFFFAOYSA-N 0 0 438.411 2.861 50 0 IFAARN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Br)cc1F ZINC000010188047 569578773 /nfs/dbraw/zinc/57/87/73/569578773.db2.gz LNWIAKXSXQSWEB-UHFFFAOYSA-N 0 0 427.251 2.762 50 0 IFAARN CC(=O)[C@@H](C)n1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C)c(Cl)c2)n(C)c1=O ZINC000010271899 569580063 /nfs/dbraw/zinc/58/00/63/569580063.db2.gz BEXFGYIKJCNZTM-CYBMUJFWSA-N 0 0 427.892 2.867 50 0 IFAARN CCOc1ccc(CCNC(=O)C=C2Nc3ccccc3S(=O)(=O)N2)cc1OCC ZINC000010272412 569580187 /nfs/dbraw/zinc/58/01/87/569580187.db2.gz BVYIYUYLHUEKBF-UHFFFAOYSA-N 0 0 431.514 2.746 50 0 IFAARN C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc(Cl)c1 ZINC000010277061 569580405 /nfs/dbraw/zinc/58/04/05/569580405.db2.gz SECZDJBYJSUBRF-CYBMUJFWSA-N 0 0 443.978 2.983 50 0 IFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccc(=O)n(C)n3)c2)cc1 ZINC000010325194 569581058 /nfs/dbraw/zinc/58/10/58/569581058.db2.gz JLUCSSLAGUWVAK-UHFFFAOYSA-N 0 0 440.525 2.730 50 0 IFAARN COc1ccccc1C(=O)N1CCN(c2nc3c(cccc3S(C)(=O)=O)s2)CC1 ZINC000010337261 569581191 /nfs/dbraw/zinc/58/11/91/569581191.db2.gz TYWIEXYLLQSEFP-UHFFFAOYSA-N 0 0 431.539 2.671 50 0 IFAARN COc1ccc(C(=O)N2CCN(c3nc4c(cccc4S(C)(=O)=O)s3)CC2)cc1 ZINC000010337245 569581234 /nfs/dbraw/zinc/58/12/34/569581234.db2.gz NQTLZYYLWYBNHD-UHFFFAOYSA-N 0 0 431.539 2.671 50 0 IFAARN O=C(CNC(=O)c1cccc(OC(F)F)c1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010446416 569582266 /nfs/dbraw/zinc/58/22/66/569582266.db2.gz BIAGGTBBHKHZER-UHFFFAOYSA-N 0 0 431.439 2.895 50 0 IFAARN COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c(C)nc2c1 ZINC000010443478 569582271 /nfs/dbraw/zinc/58/22/71/569582271.db2.gz LEGUGCFTASMAPJ-UHFFFAOYSA-N 0 0 443.500 2.838 50 0 IFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000010454735 569582380 /nfs/dbraw/zinc/58/23/80/569582380.db2.gz PGXWMXNSVUNIBG-JTQLQIEISA-N 0 0 446.403 2.545 50 0 IFAARN O=C(CN1CCN(C(=O)c2cnc3c(cnn3C3CCCC3)c2)CC1)N1CCCCCC1 ZINC000071849990 569582399 /nfs/dbraw/zinc/58/23/99/569582399.db2.gz LEXUCHBADFFQJM-UHFFFAOYSA-N 0 0 438.576 2.707 50 0 IFAARN COc1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)ccc1OC(F)F ZINC000071850192 569582402 /nfs/dbraw/zinc/58/24/02/569582402.db2.gz VQMMUASEKQLPMO-ZDUSSCGKSA-N 0 0 446.497 2.828 50 0 IFAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000010512481 569582608 /nfs/dbraw/zinc/58/26/08/569582608.db2.gz ONYGDLXPPQIXRJ-UHFFFAOYSA-N 0 0 435.930 2.962 50 0 IFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC000010511367 569582615 /nfs/dbraw/zinc/58/26/15/569582615.db2.gz IEWVTFRMKQTRDJ-OAHLLOKOSA-N 0 0 436.555 2.763 50 0 IFAARN CNc1nn(CC(=O)NCCC2=CCCCC2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000390831006 569583129 /nfs/dbraw/zinc/58/31/29/569583129.db2.gz PANTUHPBESFXPN-UHFFFAOYSA-N 0 0 435.532 3.539 50 0 IFAARN O=C(NCCS(=O)(=O)Nc1ccccn1)Nc1ccccc1SCC(F)(F)F ZINC000072314290 569583560 /nfs/dbraw/zinc/58/35/60/569583560.db2.gz FBVZXGWAMRXNBX-UHFFFAOYSA-N 0 0 434.465 3.299 50 0 IFAARN COC(=O)c1nc(NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)sc1CC(C)C ZINC000079501538 569583830 /nfs/dbraw/zinc/58/38/30/569583830.db2.gz NUNZKZYMWLVNBB-HNNXBMFYSA-N 0 0 431.562 3.390 50 0 IFAARN COc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)c1 ZINC000009111165 569584753 /nfs/dbraw/zinc/58/47/53/569584753.db2.gz INQSQBSMIYZDRJ-UHFFFAOYSA-N 0 0 433.511 2.578 50 0 IFAARN CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)sc2c1 ZINC000032093286 569584945 /nfs/dbraw/zinc/58/49/45/569584945.db2.gz LBZHOCLWOJOTHA-ZDUSSCGKSA-N 0 0 447.513 2.826 50 0 IFAARN NC(=O)Cc1csc(NC(=O)c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)n1 ZINC000077099344 569585204 /nfs/dbraw/zinc/58/52/04/569585204.db2.gz FKOLZEULIXAPOF-UHFFFAOYSA-N 0 0 436.541 2.672 50 0 IFAARN Cc1cccc(N2CCN(c3nc4nc(=O)n(-c5ccccc5)c(=O)c-4c[nH]3)CC2)c1C ZINC000077100684 569585401 /nfs/dbraw/zinc/58/54/01/569585401.db2.gz HZOMZJHWARWAMK-UHFFFAOYSA-N 0 0 428.496 2.825 50 0 IFAARN Cn1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)n(-c2ccccc2)c1=O ZINC000077100620 569585414 /nfs/dbraw/zinc/58/54/14/569585414.db2.gz FHUASXLSYYVIOQ-CYBMUJFWSA-N 0 0 438.962 2.854 50 0 IFAARN O=S(=O)(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1ccc2c(c1)OCCO2 ZINC000077101183 569585543 /nfs/dbraw/zinc/58/55/43/569585543.db2.gz PAKKFJPJMDRHIC-UHFFFAOYSA-N 0 0 429.420 2.665 50 0 IFAARN Cc1cc(C(F)(F)F)nc(CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000077101110 569585554 /nfs/dbraw/zinc/58/55/54/569585554.db2.gz FGWVINXAAMIQQJ-UHFFFAOYSA-N 0 0 442.463 2.561 50 0 IFAARN Cc1c(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)cnn1-c1ccccc1 ZINC000077154607 569585715 /nfs/dbraw/zinc/58/57/15/569585715.db2.gz JRLOZBYZYVLFND-UHFFFAOYSA-N 0 0 443.554 2.740 50 0 IFAARN Cc1c(C(=O)N2CCc3nc(NC(=O)[C@H]4CCCO4)sc3C2)cnn1-c1ccccc1 ZINC000077192013 569586060 /nfs/dbraw/zinc/58/60/60/569586060.db2.gz VHGYGNRQMFBANG-GOSISDBHSA-N 0 0 437.525 2.953 50 0 IFAARN CN(CC(=O)N1CCN(c2ncccn2)CC1)c1nc2c(cccc2C(F)(F)F)s1 ZINC000077196827 569586152 /nfs/dbraw/zinc/58/61/52/569586152.db2.gz JCDLLZWUCBSDLC-UHFFFAOYSA-N 0 0 436.463 2.890 50 0 IFAARN Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC[C@H](c3nnc(C(F)(F)F)o3)C1)CS2 ZINC000077197839 569586231 /nfs/dbraw/zinc/58/62/31/569586231.db2.gz IZLUYEQTABRATG-NWDGAFQWSA-N 0 0 443.451 2.705 50 0 IFAARN COc1cccc(N2C[C@@H](C(=O)N3CCC[C@H](c4nnc(C(F)(F)F)o4)C3)CC2=O)c1 ZINC000077197816 569586238 /nfs/dbraw/zinc/58/62/38/569586238.db2.gz RWYPBYFFMVGDKY-STQMWFEESA-N 0 0 438.406 2.856 50 0 IFAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O ZINC000077198002 569586250 /nfs/dbraw/zinc/58/62/50/569586250.db2.gz BHFZXGHDTHFPRI-UHFFFAOYSA-N 0 0 446.486 2.881 50 0 IFAARN COc1ccc(OC)c(-c2cc(C(=O)NCCN3CCN(c4ccccc4)CC3)n(C)n2)c1 ZINC000077200783 569586551 /nfs/dbraw/zinc/58/65/51/569586551.db2.gz DTBGRIQKSSGCEC-UHFFFAOYSA-N 0 0 449.555 2.656 50 0 IFAARN O=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000077200788 569586580 /nfs/dbraw/zinc/58/65/80/569586580.db2.gz PHKBBSFNOLKHIM-UHFFFAOYSA-N 0 0 438.546 2.766 50 0 IFAARN COc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000020239859 569587123 /nfs/dbraw/zinc/58/71/23/569587123.db2.gz PXVYVAVOTNNQAL-UHFFFAOYSA-N 0 0 434.562 2.643 50 0 IFAARN CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCC(C)CC4)C3)ccc21 ZINC000033262751 569587405 /nfs/dbraw/zinc/58/74/05/569587405.db2.gz AZPLCCARPNCOSJ-KRWDZBQOSA-N 0 0 433.578 2.671 50 0 IFAARN Cc1nc(-c2cc(S(=O)(=O)NCC(=O)N[C@H]3CCCc4ccccc43)c(C)s2)no1 ZINC000033263959 569587421 /nfs/dbraw/zinc/58/74/21/569587421.db2.gz LCYQGXSDFQJGAS-INIZCTEOSA-N 0 0 446.554 2.887 50 0 IFAARN COCCN1C(=O)c2oc3ccccc3c2OC[C@]1(C)C(=O)NCc1ccccc1OC ZINC000033265443 569587446 /nfs/dbraw/zinc/58/74/46/569587446.db2.gz YIKQCIAXHLLAPS-XMMPIXPASA-N 0 0 438.480 2.998 50 0 IFAARN Cc1ccc2c(c1)N(C(=O)Cn1c(C)nc3c(c1=O)CCN(Cc1ccccc1)C3)CCO2 ZINC000035456193 569587695 /nfs/dbraw/zinc/58/76/95/569587695.db2.gz OSROWIJZLNPBAW-UHFFFAOYSA-N 0 0 444.535 2.844 50 0 IFAARN CCN1C2=C(C(=O)N([C@H](C)C(=O)NC3CC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966427 569587756 /nfs/dbraw/zinc/58/77/56/569587756.db2.gz ZRYLEJANKSTDDH-PIGZYNQJSA-N 0 0 436.434 2.555 50 0 IFAARN CCN1C2=C(C(=O)N([C@H](C)C(=O)NC3CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966425 569587769 /nfs/dbraw/zinc/58/77/69/569587769.db2.gz ZRYLEJANKSTDDH-DIFFPNOSSA-N 0 0 436.434 2.555 50 0 IFAARN COCCN(CCC(=O)NC[C@H]1CCCO1)C(=O)c1csc(Nc2cccc(C)c2)n1 ZINC000037426105 569588080 /nfs/dbraw/zinc/58/80/80/569588080.db2.gz DKZFLPDRGLIKSS-GOSISDBHSA-N 0 0 446.573 2.969 50 0 IFAARN